A0A096N6W9_PAPAN Loading...

Matrix metallopeptidase 10

AlphaFold DB , UniProt , Accession A0A096N6W9, Species PAPAN (Papio anubis, Olive baboon), Gene MMP10, Length 476 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	36.9	Very low	41.7	Very low	239 Å²	239	158.3 Å²	158.3	100%	1.177	84%	0.843	S	S	*	*				0	132	0	-81.9	-157.4	-87.6	0	0	108.5
2	M	38.7	Very low	41.5	Very low	168 Å²	168	155.8 Å²	155.8	83%	0.828	83%	0.829	S	S	*	*			trans	63.5	99.1	166.8	-69.7	175.6	61.3	0	0	117.4
3	H	44.8	Very low	41.6	Very low	176 Å²	176	152.3 Å²	152.3	82%	0.815	82%	0.82	S	S	*	*				80.6	108.4	81.4	-79	-52.4	0	0	0	114.3
4	L	39.1	Very low	41.5	Very low	171 Å²	171	150.1 Å²	150.1	90%	0.895	82%	0.815	S	S	*	*			trans	-175.3	96.4	133.3	-124.5	67.4	0	0	0	107.4
5	A	41.8	Very low	41.5	Very low	83 Å²	83	147.5 Å²	147.5	69%	0.686	81%	0.81	S	S	*	*				84.5	109.4	82.8	0	0	0	0	0	113.4
6	F	46.3	Very low	41.5	Very low	197 Å²	197	144 Å²	144	86%	0.864	80%	0.799	S	S	*	*			trans	52.5	106	145	-79.5	-92	0	0	0	119.9
7	L	40.1	Very low	41.6	Very low	179 Å²	179	141 Å²	141	94%	0.937	80%	0.798	S	S	*	*			trans	-131.1	75.5	157.2	-117.5	144.4	0	0	0	108.7
8	V	49.1	Very low	42	Very low	115 Å²	115	144.4 Å²	144.4	70%	0.697	80%	0.798	S	S	*	*			trans	-131.8	141.1	163.4	-179.4	0	0	0	0	105.8
9	L	43.9	Very low	42	Very low	147 Å²	147	142.4 Å²	142.4	77%	0.77	79%	0.791	S	S	*	*			trans	90.6	121.7	-169.2	-74.9	96.2	0	0	0	112.8
10	L	39.2	Very low	42.3	Very low	126 Å²	126	142.6 Å²	142.6	66%	0.66	79%	0.79	S	S	*	*			cis	-149	126	16.4	-80.4	110.1	0	0	0	109.6	L12	L10-L12 HydrophobicContact CD2-CD1 3.78Å; L10-L12 HydrophobicContact CD2-CD2 4.41Å; L10-L12 HydrophobicContact CD2-CG 3.79Å
11	C	38.3	Very low	42.6	Very low	140 Å²	140	139.5 Å²	139.5	95%	0.946	78%	0.778	S	S	*	*			trans	-97.9	88.1	152.1	-80.8	0	0	0	0	107
12	L	40.1	Very low	43.1	Very low	128 Å²	128	130.1 Å²	130.1	67%	0.67	74%	0.743	S	S	*	*			trans	-78.1	123.9	161.7	-77.8	166	0	0	0	107.1	L10 V14	L10-L12 HydrophobicContact CD2-CD1 3.78Å; L10-L12 HydrophobicContact CD2-CD2 4.41Å; L10-L12 HydrophobicContact CD2-CG 3.79Å; L12-V14 PolarHBondContact O-N 2.87Å
13	P	42.9	Very low	43.7	Very low	111 Å²	111	124.8 Å²	124.8	72%	0.721	73%	0.726	S	S	*	*			trans	-67.1	109.1	160.1	28.5	-26.7	0	0	0	105.6	C15	P13-C15 PolarHBondContact O-N 3.45Å
14	V	40.5	Very low	44	Very low	122 Å²	122	118.6 Å²	118.6	74%	0.739	71%	0.705	S	S	*	*			trans	-69.1	82.8	163.4	-179	0	0	0	0	105.7	L12 S16	L12-V14 PolarHBondContact O-N 2.87Å; V14-S16 PolarHBondContact O-N 3.25Å
15	C	40.4	Very low	44.8	Very low	111 Å²	111	117.8 Å²	117.8	75%	0.75	69%	0.694	S	S	*	*			trans	-64.9	98.8	154.1	-85.2	0	0	0	0	105.2	P13 A17	P13-C15 PolarHBondContact O-N 3.45Å; C15-A17 PolarHBondContact O-N 3.24Å
16	S	41.6	Very low	45.7	Very low	91 Å²	91	119.9 Å²	119.9	64%	0.636	69%	0.69	S	S	*	*			trans	-62.1	81.4	162	-49.4	0	0	0	0	107.3	V14 Y18	V14-S16 PolarHBondContact O-N 3.25Å; S16-Y18 VanDerWaalsContact C-N 3.26Å; S16-Y18 PolarHBondContact O-N 3.01Å
17	A	43.9	Very low	46.5	Very low	93 Å²	93	117.2 Å²	117.2	77%	0.769	68%	0.68	S	S	*	*			trans	-64.4	98.9	159.8	0	0	0	0	0	105.2	C15	C15-A17 PolarHBondContact O-N 3.24Å
18	Y	48.2	Very low	47.9	Very low	203 Å²	203	113.8 Å²	113.8	80%	0.796	66%	0.663	S	S	*	*			trans	-48.4	132.8	164.8	-85.6	-92.2	0	0	0	107.5	S16 L20	S16-Y18 VanDerWaalsContact C-N 3.26Å; S16-Y18 PolarHBondContact O-N 3.01Å; Y18-L20 PolarHBondContact O-N 2.65Å
19	P	42.7	Very low	49.3	Very low	105 Å²	105	111.7 Å²	111.7	68%	0.682	65%	0.653	S	S	*	*			trans	-65.6	104	-178.4	25.1	-30.4	0	0	0	108.7	S21 G22	P19-S21 PolarHBondContact O-N 2.84Å; P19-G22 PolarHBondContact O-N 2.87Å
20	L	48.2	Very low	51.3	Low	146 Å²	146	106 Å²	106	76%	0.764	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51	-13.6	164.8	-95.8	141.4	0	0	0	112.8	Y18 G22 A23 A24	Y18-L20 PolarHBondContact O-N 2.65Å; L20-G22 VanDerWaalsContact C-N 3.28Å; L20-G22 PolarHBondContact O-N 2.72Å; L20-A23 PolarHBondContact O-N 3.33Å; L20-A24 WeakPolarHBondContact O-CB 3.36Å; L20-A24 PolarHBondContact O-N 3.33Å
21	S	48.6	Very low	53.4	Low	78 Å²	78	103 Å²	103	55%	0.545	61%	0.613	S	S	.	*	H	α-helix	trans	-62.5	-28.5	176.3	-175.1	0	0	0	0	114	P19 K25	P19-S21 PolarHBondContact O-N 2.84Å; S21-K25 WeakPolarHBondContact O-CB 3.43Å; S21-K25 PolarHBondContact O-N 2.63Å
22	G	46.6	Very low	55.7	Low	43 Å²	43	101.3 Å²	101.3	44%	0.443	60%	0.595	S	S	.	*	H	α-helix	trans	-74.1	-46.1	177.5	0	0	0	0	0	112.2	P19 L20 K25 Q26	P19-G22 PolarHBondContact O-N 2.87Å; L20-G22 VanDerWaalsContact C-N 3.28Å; L20-G22 PolarHBondContact O-N 2.72Å; G22-K25 PolarHBondContact O-N 2.6Å; G22-Q26 WeakPolarHBondContact O-CB 3.27Å; G22-Q26 PolarHBondContact O-N 2.79Å
23	A	51	Low	58	Low	55 Å²	55	96.7 Å²	96.7	46%	0.455	57%	0.57	S	S	.	*	H	α-helix	trans	-64.8	-42.5	177.1	0	0	0	0	0	111.9	L20 Q26 E27	L20-A23 PolarHBondContact O-N 3.33Å; A23-Q26 PolarHBondContact O-N 3.18Å; A23-E27 WeakPolarHBondContact O-CB 3.33Å; A23-E27 WeakPolarHBondContact O-CG 3.47Å; A23-E27 PolarHBondContact O-N 2.84Å
24	A	51	Low	60.2	Low	46 Å²	46	91.5 Å²	91.5	38%	0.38	54%	0.537	S	S	.	.	H	α-helix	trans	-64.3	-42.4	176.9	0	0	0	0	0	112.6	L20 Q26 E27 D28	L20-A24 WeakPolarHBondContact O-CB 3.36Å; L20-A24 PolarHBondContact O-N 3.33Å; A24-Q26 VanDerWaalsContact C-N 3.28Å; A24-Q26 PolarHBondContact O-N 2.86Å; A24-E27 PolarHBondContact O-N 2.73Å; A24-D28 PolarHBondContact O-N 3.03Å
25	K	57.4	Low	62.5	Low	155 Å²	155	89.1 Å²	89.1	67%	0.674	52%	0.518	S	S	*	.	H	α-helix	trans	-62.6	-35.4	174.1	-92.9	-174	171.3	-175.5	0	112.9	S21 G22 S29	S21-K25 WeakPolarHBondContact O-CB 3.43Å; S21-K25 PolarHBondContact O-N 2.63Å; G22-K25 PolarHBondContact O-N 2.6Å; K25-S29 WeakPolarHBondContact O-CB 3.33Å; K25-S29 PolarHBondContact O-N 3.24Å
26	Q	60.9	Low	64.7	Low	127 Å²	127	88.7 Å²	88.7	59%	0.593	51%	0.505	S	S	*	.	H	α-helix	trans	-78.1	-34.6	-179.4	-166.3	162.2	4	0	0	111.9	G22 A23 A24 N30	G22-Q26 WeakPolarHBondContact O-CB 3.27Å; G22-Q26 PolarHBondContact O-N 2.79Å; A23-Q26 PolarHBondContact O-N 3.18Å; A24-Q26 VanDerWaalsContact C-N 3.28Å; A24-Q26 PolarHBondContact O-N 2.86Å; Q26-N30 WeakPolarHBondContact O-CB 3.24Å; Q26-N30 PolarHBondContact O-N 2.93Å; Q26-N30 PolarHBondContact O-ND2 2.93Å
27	E	62.3	Low	67.1	Low	140 Å²	140	84.8 Å²	84.8	65%	0.654	48%	0.476	S	S	*	.	H	α-helix	trans	-63.7	-44.5	169.4	-79.8	-176.8	164.6	0	0	111.8	A23 A24 N30 S31	A23-E27 WeakPolarHBondContact O-CB 3.33Å; A23-E27 WeakPolarHBondContact O-CG 3.47Å; A23-E27 PolarHBondContact O-N 2.84Å; A24-E27 PolarHBondContact O-N 2.73Å; E27-N30 PolarHBondContact O-N 2.97Å; E27-S31 WeakPolarHBondContact O-CB 3.47Å; E27-S31 PolarHBondContact O-N 3.03Å
28	D	68.3	Low	69.4	Low	108 Å²	108	80.4 Å²	80.4	58%	0.578	44%	0.44	S	S	*	.	H	α-helix	trans	-60.5	-47	175	-74.8	-18.5	0	0	0	110.9	A24 N30 S31 D32	A24-D28 PolarHBondContact O-N 3.03Å; D28-N30 PolarHBondContact O-N 3.16Å; D28-S31 WeakPolarHBondContact O-CB 3.46Å; D28-S31 PolarHBondContact O-N 2.89Å; D28-D32 PolarHBondContact O-N 3.26Å
29	S	80.1	Confident	71.3	Confident	71 Å²	71	73.5 Å²	73.5	50%	0.497	42%	0.415	S	S	.	.	H	α-helix	trans	-63.5	-37.2	177.5	174.7	0	0	0	0	113.8	K25 L33	K25-S29 WeakPolarHBondContact O-CB 3.33Å; K25-S29 PolarHBondContact O-N 3.24Å; S29-L33 WeakPolarHBondContact O-CB 3.45Å; S29-L33 PolarHBondContact O-N 2.99Å; S29-L33 VanDerWaalsContact O-N 3.08Å
30	N	85.1	Confident	73.3	Confident	27 Å²	27	71.8 Å²	71.8	14%	0.144	40%	0.4	C	S	.	.	H	α-helix	trans	-71	-34.2	176.4	-73.2	-23.5	0	0	0	111.7	Q26 E27 D28 A34 L83 R87	Q26-N30 WeakPolarHBondContact O-CB 3.24Å; Q26-N30 PolarHBondContact O-N 2.93Å; Q26-N30 PolarHBondContact O-ND2 2.93Å; E27-N30 PolarHBondContact O-N 2.97Å; D28-N30 PolarHBondContact O-N 3.16Å; N30-A34 WeakPolarHBondContact O-CB 3.32Å; N30-A34 PolarHBondContact O-N 2.92Å; N30-L83 HydrophobicContact CB-CD1 4.31Å; N30-L83 HydrophobicContact CB-CD2 4Å; N30-R87 PolarHBondContact OD1-NH2 2.69Å
31	S	83.3	Confident	75.2	Confident	62 Å²	62	65.3 Å²	65.3	43%	0.434	37%	0.365	S	S	.	.	H	α-helix	trans	-67.5	-42.7	175.1	-171.6	0	0	0	0	111.3	E27 D28 A34 Q35	E27-S31 WeakPolarHBondContact O-CB 3.47Å; E27-S31 PolarHBondContact O-N 3.03Å; D28-S31 WeakPolarHBondContact O-CB 3.46Å; D28-S31 PolarHBondContact O-N 2.89Å; S31-A34 PolarHBondContact O-N 2.79Å; S31-Q35 WeakPolarHBondContact O-CB 3.12Å; S31-Q35 PolarHBondContact O-N 3.29Å
32	D	86.4	Confident	77.1	Confident	105 Å²	105	61.6 Å²	61.6	56%	0.561	34%	0.339	S	S	*	.	H	α-helix	trans	-63.1	-45.7	176.9	-69.4	-19.3	0	0	0	111.3	D28 A34 Q35 Q36	D28-D32 PolarHBondContact O-N 3.26Å; D32-A34 VanDerWaalsContact C-N 3.35Å; D32-A34 PolarHBondContact O-N 3Å; D32-Q35 PolarHBondContact O-N 2.85Å; D32-Q36 WeakPolarHBondContact O-CB 3.2Å; D32-Q36 PolarHBondContact O-N 2.87Å
33	L	88.4	Confident	78.9	Confident	31 Å²	31	63.3 Å²	63.3	16%	0.162	34%	0.338	C	S	.	.	H	α-helix	trans	-55.7	-49.7	173.8	174.5	66.5	0	0	0	111.2	S29 Q35 Q36 Y37 L83 M86 R87	S29-L33 WeakPolarHBondContact O-CB 3.45Å; S29-L33 PolarHBondContact O-N 2.99Å; S29-L33 VanDerWaalsContact O-N 3.08Å; L33-Q35 VanDerWaalsContact C-N 3.32Å; L33-Q35 PolarHBondContact O-N 2.9Å; L33-Q36 PolarHBondContact O-N 2.82Å; L33-Y37 VanDerWaalsContact O-CB 3.25Å; L33-Y37 WeakPolarHBondContact O-CB 3.21Å; L33-Y37 PolarHBondContact O-N 2.77Å; L33-L83 HydrophobicContact CD2-CD2 4.41Å; L33-M86 HydrophobicContact CD2-CB 4.28Å; L33-M86 HydrophobicContact CG-CB 4.49Å; L33-R87 HydrophobicContact CD2-CG 3.81Å
34	A	89.6	Confident	80.4	Confident	2 Å²	2	61.5 Å²	61.5	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-63.4	-39.8	-179.6	0	0	0	0	0	112.1	N30 S31 D32 L38 L78 M86	N30-A34 WeakPolarHBondContact O-CB 3.32Å; N30-A34 PolarHBondContact O-N 2.92Å; S31-A34 PolarHBondContact O-N 2.79Å; D32-A34 VanDerWaalsContact C-N 3.35Å; D32-A34 PolarHBondContact O-N 3Å; A34-L38 WeakPolarHBondContact O-CB 3.19Å; A34-L38 WeakPolarHBondContact O-CD1 3.38Å; A34-L38 WeakPolarHBondContact O-CG 3.43Å; A34-L38 PolarHBondContact O-N 2.67Å; A34-L78 HydrophobicContact CB-CD1 3.58Å; A34-L78 HydrophobicContact CB-CD2 3.56Å; A34-L78 HydrophobicContact CB-CG 4.21Å; A34-M86 HydrophobicContact CB-CE 3.83Å; A34-M86 HydrophobicContact CB-SD 3.98Å
35	Q	88.2	Confident	81.6	Confident	72 Å²	72	67.6 Å²	67.6	34%	0.336	34%	0.339	S	S	.	.	H	α-helix	trans	-63.2	-52.4	177.5	177.4	165.2	-7.2	0	0	110.9	S31 D32 L33 Y37 L38 E39 L44	S31-Q35 WeakPolarHBondContact O-CB 3.12Å; S31-Q35 PolarHBondContact O-N 3.29Å; D32-Q35 PolarHBondContact O-N 2.85Å; L33-Q35 VanDerWaalsContact C-N 3.32Å; L33-Q35 PolarHBondContact O-N 2.9Å; Q35-Y37 VanDerWaalsContact C-N 3.32Å; Q35-Y37 PolarHBondContact O-N 2.85Å; Q35-L38 PolarHBondContact O-N 3.12Å; Q35-E39 HydrophobicContact CG-CG 4.43Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.48Å; Q35-E39 PolarHBondContact NE2-OE1 2.9Å; Q35-E39 VanDerWaalsContact O-CG 3.32Å; Q35-E39 WeakPolarHBondContact O-CG 3.36Å; Q35-E39 PolarHBondContact O-N 3.41Å; Q35-L44 HydrophobicContact CG-CD2 4.47Å
36	Q	87.9	Confident	81.6	Confident	102 Å²	102	64.7 Å²	64.7	48%	0.477	33%	0.334	S	S	.	.	H	α-helix	trans	-59.7	-43.1	179	-172.1	178.2	3.1	0	0	111.7	D32 L33 L38 E39 N40	D32-Q36 WeakPolarHBondContact O-CB 3.2Å; D32-Q36 PolarHBondContact O-N 2.87Å; L33-Q36 PolarHBondContact O-N 2.82Å; Q36-L38 VanDerWaalsContact C-N 3.34Å; Q36-L38 PolarHBondContact O-N 3.33Å; Q36-E39 PolarHBondContact O-N 2.77Å; Q36-N40 WeakPolarHBondContact O-CB 3.49Å; Q36-N40 VanDerWaalsContact O-CG 3.25Å; Q36-N40 PolarHBondContact O-N 3.5Å
37	Y	91.4	Very high	80.8	Confident	10 Å²	10	65.4 Å²	65.4	4%	0.039	34%	0.342	C	S	.	.	H	α-helix	trans	-59.5	-43.8	177	-166.2	-81.7	0	0	0	112	L33 Q35 Y41 Y42 M66 M86 R90	L33-Y37 VanDerWaalsContact O-CB 3.25Å; L33-Y37 WeakPolarHBondContact O-CB 3.21Å; L33-Y37 PolarHBondContact O-N 2.77Å; Q35-Y37 VanDerWaalsContact C-N 3.32Å; Q35-Y37 PolarHBondContact O-N 2.85Å; Y37-Y41 AromaticContact CD1-CD2 3.79Å; Y37-Y41 HydrophobicContact CD1-CD2 3.79Å; Y37-Y41 AromaticContact CD2-CD2 3.8Å; Y37-Y41 HydrophobicContact CD2-CD2 3.8Å; Y37-Y41 AromaticContact CD2-CE2 3.73Å; Y37-Y41 HydrophobicContact CD2-CE2 3.73Å; Y37-Y41 AromaticContact CE1-CD2 3.78Å; Y37-Y41 HydrophobicContact CE1-CD2 3.78Å; Y37-Y41 AromaticContact CE2-CD2 3.8Å; Y37-Y41 HydrophobicContact CE2-CD2 3.8Å; Y37-Y41 AromaticContact CE2-CE2 3.78Å; Y37-Y41 HydrophobicContact CE2-CE2 3.78Å; Y37-Y41 AromaticContact CG-CD2 3.79Å; Y37-Y41 HydrophobicContact CG-CD2 3.79Å; Y37-Y41 HydrophobicContact CG-CE2 4.13Å; Y37-Y41 AromaticContact CZ-CD2 3.78Å; Y37-Y41 WeakPolarHBondContact O-CD2 3.47Å; Y37-Y41 PolarHBondContact O-N 3.49Å; Y37-Y42 HydrophobicContact CD1-CD2 4.35Å; Y37-Y42 HydrophobicContact CD1-CE2 4.39Å; Y37-Y42 HydrophobicContact CE1-CD2 4.24Å; Y37-Y42 AromaticContact CE1-CE2 3.84Å; Y37-Y42 HydrophobicContact CE1-CE2 3.84Å; Y37-M66 HydrophobicContact CD1-CE 4.44Å; Y37-M66 HydrophobicContact CE1-CE 4.25Å; Y37-M66 HydrophobicContact CE1-CG 3.9Å; Y37-M86 HydrophobicContact CD1-CE 4.34Å; Y37-M86 HydrophobicContact CD1-CG 4.15Å; Y37-M86 HydrophobicContact CD2-CB 3.96Å; Y37-M86 HydrophobicContact CD2-CG 3.98Å; Y37-M86 HydrophobicContact CE1-CG 4.4Å; Y37-M86 HydrophobicContact CE2-CB 4.18Å; Y37-M86 HydrophobicContact CE2-CG 4.24Å; Y37-M86 WeakPolarHBondContact CE2-O 3.28Å; Y37-M86 HydrophobicContact CG-CB 4.39Å; Y37-M86 HydrophobicContact CG-CG 3.94Å; Y37-R90 PolarHBondContact OH-NH1 3.2Å
38	L	91.9	Very high	79.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-75.6	-28.9	-179	-65	172.5	0	0	0	112.9	A34 Q35 Q36 Y42 N43 L44 I59 K62 I63 M66	A34-L38 WeakPolarHBondContact O-CB 3.19Å; A34-L38 WeakPolarHBondContact O-CD1 3.38Å; A34-L38 WeakPolarHBondContact O-CG 3.43Å; A34-L38 PolarHBondContact O-N 2.67Å; Q35-L38 PolarHBondContact O-N 3.12Å; Q36-L38 VanDerWaalsContact C-N 3.34Å; Q36-L38 PolarHBondContact O-N 3.33Å; L38-Y42 HydrophobicContact CD2-CD2 3.95Å; L38-Y42 HydrophobicContact CD2-CG 3.96Å; L38-Y42 CarbonylContact O-C 3.58Å; L38-Y42 VanDerWaalsContact O-CA 3.23Å; L38-Y42 WeakPolarHBondContact O-CA 3.4Å; L38-Y42 WeakPolarHBondContact O-CB 3.38Å; L38-Y42 PolarHBondContact O-N 2.82Å; L38-N43 PolarHBondContact O-N 3.11Å; L38-L44 HydrophobicContact CB-CB 4Å; L38-L44 HydrophobicContact CB-CD2 3.89Å; L38-L44 WeakPolarHBondContact O-CB 3.4Å; L38-L44 PolarHBondContact O-N 3.08Å; L38-I59 HydrophobicContact CD1-CG2 4.22Å; L38-K62 HydrophobicContact CD1-CB 3.98Å; L38-K62 HydrophobicContact CD2-CB 4.03Å; L38-K62 HydrophobicContact CG-CB 4.42Å; L38-I63 HydrophobicContact CD1-CG1 3.78Å; L38-M66 HydrophobicContact CD2-CB 4.2Å
39	E	87.1	Confident	78.6	Confident	58 Å²	58	67.9 Å²	67.9	27%	0.271	36%	0.355	S	S	.	.	H	α-helix	trans	-64.7	-51.3	170.7	-74.3	173.4	-168.7	0	0	110.1	Q35 Q36 L44 T46	Q35-E39 HydrophobicContact CG-CG 4.43Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.48Å; Q35-E39 PolarHBondContact NE2-OE1 2.9Å; Q35-E39 VanDerWaalsContact O-CG 3.32Å; Q35-E39 WeakPolarHBondContact O-CG 3.36Å; Q35-E39 PolarHBondContact O-N 3.41Å; Q36-E39 PolarHBondContact O-N 2.77Å; E39-L44 HydrophobicContact CG-CB 4.08Å; E39-L44 HydrophobicContact CG-CD2 4.24Å; E39-L44 HydrophobicContact CG-CG 4.35Å; E39-T46 HydrophobicContact CG-CG2 4.34Å; E39-T46 WeakPolarHBondContact OE1-CG2 3.5Å
40	N	85.3	Confident	76.7	Confident	70 Å²	70	72.3 Å²	72.3	37%	0.374	37%	0.368	S	S	.	.	H	α-helix	trans	-66.3	-48.6	-177.4	-69.7	-3.5	0	0	0	112.3	Q36	Q36-N40 WeakPolarHBondContact O-CB 3.49Å; Q36-N40 VanDerWaalsContact O-CG 3.25Å; Q36-N40 PolarHBondContact O-N 3.5Å
41	Y	89.5	Confident	74.5	Confident	10 Å²	10	78.6 Å²	78.6	4%	0.039	39%	0.394	C	S	.	.	H	α-helix	trans	-108.9	-16.8	-167.5	-48	-62.8	0	0	0	114.7	Y37 R90 D95 V96	Y37-Y41 AromaticContact CD1-CD2 3.79Å; Y37-Y41 HydrophobicContact CD1-CD2 3.79Å; Y37-Y41 AromaticContact CD2-CD2 3.8Å; Y37-Y41 HydrophobicContact CD2-CD2 3.8Å; Y37-Y41 AromaticContact CD2-CE2 3.73Å; Y37-Y41 HydrophobicContact CD2-CE2 3.73Å; Y37-Y41 AromaticContact CE1-CD2 3.78Å; Y37-Y41 HydrophobicContact CE1-CD2 3.78Å; Y37-Y41 AromaticContact CE2-CD2 3.8Å; Y37-Y41 HydrophobicContact CE2-CD2 3.8Å; Y37-Y41 AromaticContact CE2-CE2 3.78Å; Y37-Y41 HydrophobicContact CE2-CE2 3.78Å; Y37-Y41 AromaticContact CG-CD2 3.79Å; Y37-Y41 HydrophobicContact CG-CD2 3.79Å; Y37-Y41 HydrophobicContact CG-CE2 4.13Å; Y37-Y41 AromaticContact CZ-CD2 3.78Å; Y37-Y41 WeakPolarHBondContact O-CD2 3.47Å; Y37-Y41 PolarHBondContact O-N 3.49Å; Y41-R90 VanDerWaalsContact CG-CZ 3.47Å; Y41-D95 PolarHBondContact O-N 2.91Å; Y41-V96 PolarHBondContact O-N 2.92Å
42	Y	88.4	Confident	73	Confident	0 Å²	0	86.8 Å²	86.8	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-119.6	11.4	-172.6	-72.1	-93.4	0	0	0	114.7	Y37 L38 L44 K62 Q65 M66 F69 D95 V96	Y37-Y42 HydrophobicContact CD1-CD2 4.35Å; Y37-Y42 HydrophobicContact CD1-CE2 4.39Å; Y37-Y42 HydrophobicContact CE1-CD2 4.24Å; Y37-Y42 AromaticContact CE1-CE2 3.84Å; Y37-Y42 HydrophobicContact CE1-CE2 3.84Å; L38-Y42 HydrophobicContact CD2-CD2 3.95Å; L38-Y42 HydrophobicContact CD2-CG 3.96Å; L38-Y42 CarbonylContact O-C 3.58Å; L38-Y42 VanDerWaalsContact O-CA 3.23Å; L38-Y42 WeakPolarHBondContact O-CA 3.4Å; L38-Y42 WeakPolarHBondContact O-CB 3.38Å; L38-Y42 PolarHBondContact O-N 2.82Å; Y42-L44 VanDerWaalsContact C-N 3.25Å; Y42-L44 PolarHBondContact O-N 2.86Å; Y42-K62 WeakPolarHBondContact O-CE 3.41Å; Y42-K62 PolarHBondContact O-NZ 3.08Å; Y42-Q65 HydrophobicContact CD1-CB 4.38Å; Y42-Q65 HydrophobicContact CD1-CG 4.06Å; Y42-Q65 HydrophobicContact CE1-CG 4.19Å; Y42-M66 HydrophobicContact CD1-CB 4.02Å; Y42-M66 HydrophobicContact CD2-CB 4.02Å; Y42-M66 HydrophobicContact CD2-CG 4.16Å; Y42-M66 HydrophobicContact CE1-CB 3.58Å; Y42-M66 HydrophobicContact CE1-CG 4.2Å; Y42-M66 HydrophobicContact CE2-CB 3.63Å; Y42-M66 HydrophobicContact CE2-CG 3.45Å; Y42-M66 VanDerWaalsContact CE2-CG 3.45Å; Y42-M66 HydrophobicContact CG-CB 4.24Å; Y42-M66 VanDerWaalsContact CZ-CG 3.47Å; Y42-M66 WeakPolarHBondContact OH-CA 3.28Å; Y42-F69 HydrophobicContact CE1-CB 4.5Å; Y42-D95 HydrophobicContact CE1-CB 4.07Å; Y42-D95 HydrophobicContact CE2-CB 4Å; Y42-D95 WeakPolarHBondContact CE2-OD2 3.43Å; Y42-D95 WeakPolarHBondContact OH-CB 3.39Å; Y42-D95 PolarHBondContact OH-OD2 2.83Å; Y42-V96 VanDerWaalsContact C-CG2 3.49Å; Y42-V96 VanDerWaalsContact CA-CG2 3.47Å; Y42-V96 HydrophobicContact CD1-CB 4.48Å; Y42-V96 HydrophobicContact CD1-CG1 3.58Å; Y42-V96 HydrophobicContact CD1-CG2 4.05Å; Y42-V96 HydrophobicContact CE1-CG1 3.6Å; Y42-V96 HydrophobicContact CG-CG2 4.42Å; Y42-V96 WeakPolarHBondContact O-CG2 3.49Å
43	N	83.4	Confident	71.2	Confident	79 Å²	79	92.7 Å²	92.7	42%	0.422	43%	0.43	S	S	.	.			trans	51.6	41.7	-178.6	-72.1	-39.6	0	0	0	113.1	L38 K45 V96 G97	L38-N43 PolarHBondContact O-N 3.11Å; N43-K45 PolarHBondContact O-N 3.48Å; N43-V96 PolarHBondContact ND2-O 2.86Å; N43-G97 WeakPolarHBondContact ND2-CA 3.45Å
44	L	83.6	Confident	69.5	Low	16 Å²	16	99.3 Å²	99.3	8%	0.084	46%	0.457	C	S	.	.			trans	-68.5	115	168.5	-176.9	64.6	0	0	0	108.4	Q35 L38 E39 Y42 L58 I59 K62	Q35-L44 HydrophobicContact CG-CD2 4.47Å; L38-L44 HydrophobicContact CB-CB 4Å; L38-L44 HydrophobicContact CB-CD2 3.89Å; L38-L44 WeakPolarHBondContact O-CB 3.4Å; L38-L44 PolarHBondContact O-N 3.08Å; E39-L44 HydrophobicContact CG-CB 4.08Å; E39-L44 HydrophobicContact CG-CD2 4.24Å; E39-L44 HydrophobicContact CG-CG 4.35Å; Y42-L44 VanDerWaalsContact C-N 3.25Å; Y42-L44 PolarHBondContact O-N 2.86Å; L44-L58 HydrophobicContact CD1-CD2 3.75Å; L44-L58 HydrophobicContact CD1-CG 3.9Å; L44-I59 HydrophobicContact CD1-CG1 4.43Å; L44-I59 HydrophobicContact CD2-CG1 4.21Å; L44-K62 HydrophobicContact CD1-CG 4.22Å
45	K	75.4	Confident	67.9	Low	175 Å²	175	104 Å²	104	76%	0.761	48%	0.479	S	S	*	.			trans	-78.5	124	179.9	-67.1	-173	176.8	-171.8	0	110.6	N43 D47	N43-K45 PolarHBondContact O-N 3.48Å; K45-D47 PolarHBondContact O-N 2.85Å
46	T	56.8	Low	66.7	Low	94 Å²	94	103.8 Å²	103.8	58%	0.577	49%	0.485	S	S	*	.			trans	-78.3	63.1	168.3	28.4	0	0	0	0	111	E39 V48	E39-T46 HydrophobicContact CG-CG2 4.34Å; E39-T46 WeakPolarHBondContact OE1-CG2 3.5Å; T46-V48 PolarHBondContact O-N 2.96Å
47	D	44.7	Very low	66.1	Low	142 Å²	142	103.2 Å²	103.2	76%	0.759	49%	0.485	S	S	*	.			trans	-82.1	101.3	174.1	-139.8	-17.2	0	0	0	110.3	K45 K49	K45-D47 PolarHBondContact O-N 2.85Å; D47-K49 PolarHBondContact O-N 3.36Å
48	V	43.2	Very low	65.7	Low	113 Å²	113	106.5 Å²	106.5	69%	0.685	50%	0.503	S	S	*	.			trans	-64.9	113	-176.6	175.5	0	0	0	0	109.6	T46	T46-V48 PolarHBondContact O-N 2.96Å
49	K	41.9	Very low	65.3	Low	186 Å²	186	108.8 Å²	108.8	81%	0.809	52%	0.515	S	S	*	.	S	Bend	trans	83.5	79.7	170.1	-55.7	162.3	-177.5	177.3	0	116	D47	D47-K49 PolarHBondContact O-N 3.36Å
50	Q	39.3	Very low	65.4	Low	165 Å²	165	108.8 Å²	108.8	77%	0.771	52%	0.519	S	S	*	.	S	Bend	trans	-165.9	113.5	138	-109.6	165.3	27.5	0	0	113
51	F	39.2	Very low	65.6	Low	158 Å²	158	111.2 Å²	111.2	69%	0.693	53%	0.526	S	S	*	.			trans	66.5	90.3	165.1	-61.6	-86	0	0	0	118.1	R53 K54	F51-R53 PolarHBondContact O-N 2.88Å; F51-K54 PolarHBondContact O-N 3.39Å
52	R	51.1	Low	65.7	Low	235 Å²	235	112.4 Å²	112.4	89%	0.887	53%	0.531	S	S	*	.	H	α-helix	trans	-41.9	-16.8	168.9	-84.9	-176.9	170.2	177.9	-4.3	117.2
53	R	49.3	Very low	65.9	Low	229 Å²	229	112.7 Å²	112.7	86%	0.864	53%	0.533	S	S	*	.	H	α-helix	trans	-96.7	-21.6	-178.4	-135.9	178.5	-174.1	174.7	1.5	114.2	F51 S56	F51-R53 PolarHBondContact O-N 2.88Å; R53-S56 PolarHBondContact O-OG 3.08Å
54	K	51.8	Low	66.3	Low	169 Å²	169	112.4 Å²	112.4	74%	0.735	53%	0.529	S	S	*	.	H	α-helix	trans	-84.1	-29.8	173.1	-95.4	-176.6	174	-179.3	0	111.6	F51 N57 L58	F51-K54 PolarHBondContact O-N 3.39Å; K54-N57 PolarHBondContact O-N 3.35Å; K54-L58 PolarHBondContact O-N 2.86Å
55	E	56.6	Low	66.7	Low	102 Å²	102	115.4 Å²	115.4	48%	0.477	54%	0.543	S	S	.	.	H	α-helix	trans	-64	-44	-179.3	-159.7	168.3	-160.8	0	0	112.4	N57 L58 I59	E55-N57 VanDerWaalsContact C-N 3.3Å; E55-N57 PolarHBondContact O-N 2.92Å; E55-L58 PolarHBondContact O-N 2.92Å; E55-L58 VanDerWaalsContact O-N 3.12Å; E55-I59 PolarHBondContact O-N 3.22Å
56	S	62.8	Low	67.7	Low	66 Å²	66	107.1 Å²	107.1	46%	0.462	51%	0.506	S	S	.	.	H	α-helix	trans	-62.4	-34.4	177.1	61	0	0	0	0	113.5	R53 V60	R53-S56 PolarHBondContact O-OG 3.08Å; S56-V60 WeakPolarHBondContact O-CG2 3.22Å; S56-V60 PolarHBondContact O-N 3.41Å; S56-V60 VanDerWaalsContact O-N 3.12Å
57	N	75.4	Confident	69.5	Low	91 Å²	91	102.6 Å²	102.6	49%	0.487	48%	0.479	S	S	.	.	H	α-helix	trans	-71.3	-34.2	177	-165.1	-27.3	0	0	0	111.4	K54 E55 K61	K54-N57 PolarHBondContact O-N 3.35Å; E55-N57 VanDerWaalsContact C-N 3.3Å; E55-N57 PolarHBondContact O-N 2.92Å; N57-K61 WeakPolarHBondContact O-CG 3.32Å; N57-K61 PolarHBondContact O-N 2.93Å; N57-K61 VanDerWaalsContact O-N 3.14Å; N57-K61 VanDerWaalsContact OD1-CE 3.31Å; N57-K61 WeakPolarHBondContact OD1-CE 3.34Å
58	L	82.4	Confident	71.8	Confident	79 Å²	79	103.7 Å²	103.7	41%	0.414	48%	0.477	S	S	.	.	H	α-helix	trans	-68.7	-46.2	176	-176	65.2	0	0	0	111.5	L44 K54 E55 V60 K61 K62	L44-L58 HydrophobicContact CD1-CD2 3.75Å; L44-L58 HydrophobicContact CD1-CG 3.9Å; K54-L58 PolarHBondContact O-N 2.86Å; E55-L58 PolarHBondContact O-N 2.92Å; E55-L58 VanDerWaalsContact O-N 3.12Å; L58-V60 PolarHBondContact O-N 2.9Å; L58-K61 PolarHBondContact O-N 2.8Å; L58-K62 WeakPolarHBondContact O-CG 3.41Å; L58-K62 PolarHBondContact O-N 2.95Å
59	I	84.9	Confident	74	Confident	47 Å²	47	100.2 Å²	100.2	24%	0.241	45%	0.452	C	S	.	.	H	α-helix	trans	-59.2	-48.3	177.6	-67.7	170.8	0	0	0	110.3	L38 L44 E55 K61 K62 I63	L38-I59 HydrophobicContact CD1-CG2 4.22Å; L44-I59 HydrophobicContact CD1-CG1 4.43Å; L44-I59 HydrophobicContact CD2-CG1 4.21Å; E55-I59 PolarHBondContact O-N 3.22Å; I59-K61 VanDerWaalsContact C-N 3.32Å; I59-K61 PolarHBondContact O-N 3.43Å; I59-K62 PolarHBondContact O-N 3.02Å; I59-I63 HydrophobicContact CG2-CD1 3.84Å; I59-I63 HydrophobicContact CG2-CG1 4.33Å; I59-I63 WeakPolarHBondContact O-CG1 3.32Å; I59-I63 PolarHBondContact O-N 3.32Å
60	V	88.8	Confident	76.3	Confident	58 Å²	58	91.7 Å²	91.7	35%	0.352	42%	0.416	S	S	.	.	H	α-helix	trans	-57.8	-44.2	177.2	169.5	0	0	0	0	111.4	S56 L58 K62 I63 Q64	S56-V60 WeakPolarHBondContact O-CG2 3.22Å; S56-V60 PolarHBondContact O-N 3.41Å; S56-V60 VanDerWaalsContact O-N 3.12Å; L58-V60 PolarHBondContact O-N 2.9Å; V60-K62 VanDerWaalsContact C-N 3.31Å; V60-K62 PolarHBondContact O-N 2.8Å; V60-I63 PolarHBondContact O-N 2.85Å; V60-Q64 WeakPolarHBondContact O-CG 3.27Å; V60-Q64 PolarHBondContact O-N 2.83Å
61	K	89.6	Confident	78.6	Confident	122 Å²	122	86.9 Å²	86.9	53%	0.53	41%	0.41	S	S	.	.	H	α-helix	trans	-62.7	-37	176.2	-76.1	177.4	178.5	-176.6	0	112.9	N57 L58 I59 Q64 Q65	N57-K61 WeakPolarHBondContact O-CG 3.32Å; N57-K61 PolarHBondContact O-N 2.93Å; N57-K61 VanDerWaalsContact O-N 3.14Å; N57-K61 VanDerWaalsContact OD1-CE 3.31Å; N57-K61 WeakPolarHBondContact OD1-CE 3.34Å; L58-K61 PolarHBondContact O-N 2.8Å; I59-K61 VanDerWaalsContact C-N 3.32Å; I59-K61 PolarHBondContact O-N 3.43Å; K61-Q64 PolarHBondContact O-N 2.78Å; K61-Q65 WeakPolarHBondContact O-CB 3.42Å; K61-Q65 PolarHBondContact O-N 3.36Å
62	K	90.3	Very high	81.1	Confident	34 Å²	34	81.3 Å²	81.3	15%	0.148	39%	0.388	C	S	.	.	H	α-helix	trans	-71.6	-38	177.6	-72.7	-64.6	-173.5	177.4	0	112.1	L38 Y42 L44 L58 I59 V60 Q65 M66	L38-K62 HydrophobicContact CD1-CB 3.98Å; L38-K62 HydrophobicContact CD2-CB 4.03Å; L38-K62 HydrophobicContact CG-CB 4.42Å; Y42-K62 WeakPolarHBondContact O-CE 3.41Å; Y42-K62 PolarHBondContact O-NZ 3.08Å; L44-K62 HydrophobicContact CD1-CG 4.22Å; L58-K62 WeakPolarHBondContact O-CG 3.41Å; L58-K62 PolarHBondContact O-N 2.95Å; I59-K62 PolarHBondContact O-N 3.02Å; V60-K62 VanDerWaalsContact C-N 3.31Å; V60-K62 PolarHBondContact O-N 2.8Å; K62-Q65 WeakPolarHBondContact O-CB 3.1Å; K62-Q65 PolarHBondContact O-N 3.12Å; K62-M66 WeakPolarHBondContact O-CB 3.42Å; K62-M66 PolarHBondContact O-N 2.9Å
63	I	92.6	Very high	83.1	Confident	6 Å²	6	73.7 Å²	73.7	3%	0.031	38%	0.375	C	S	.	.	H	α-helix	trans	-60	-46.2	168.9	-64.1	168.8	0	0	0	110.2	L38 I59 V60 Q65 M66 Q67 L78 T82	L38-I63 HydrophobicContact CD1-CG1 3.78Å; I59-I63 HydrophobicContact CG2-CD1 3.84Å; I59-I63 HydrophobicContact CG2-CG1 4.33Å; I59-I63 WeakPolarHBondContact O-CG1 3.32Å; I59-I63 PolarHBondContact O-N 3.32Å; V60-I63 PolarHBondContact O-N 2.85Å; I63-Q65 VanDerWaalsContact C-N 3.32Å; I63-Q65 PolarHBondContact O-N 3.19Å; I63-M66 PolarHBondContact O-N 2.83Å; I63-Q67 HydrophobicContact CG2-CG 4.13Å; I63-Q67 WeakPolarHBondContact O-CB 3.25Å; I63-Q67 VanDerWaalsContact O-CG 3.26Å; I63-Q67 WeakPolarHBondContact O-CG 3.28Å; I63-Q67 PolarHBondContact O-N 2.96Å; I63-L78 HydrophobicContact CD1-CD2 3.74Å; I63-L78 HydrophobicContact CD1-CG 4.04Å; I63-L78 HydrophobicContact CG1-CD2 4.25Å; I63-T82 HydrophobicContact CG2-CG2 4.32Å
64	Q	93.3	Very high	85.2	Confident	73 Å²	73	65.2 Å²	65.2	34%	0.341	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-39.2	176.8	-72	178.1	-35	0	0	112.8	V60 K61 K68 A74 G76	V60-Q64 WeakPolarHBondContact O-CG 3.27Å; V60-Q64 PolarHBondContact O-N 2.83Å; K61-Q64 PolarHBondContact O-N 2.78Å; Q64-K68 VanDerWaalsContact O-CB 3.32Å; Q64-K68 WeakPolarHBondContact O-CB 3.37Å; Q64-K68 PolarHBondContact O-N 2.92Å; Q64-A74 HydrophobicContact CB-CB 4.33Å; Q64-A74 PolarHBondContact NE2-O 3.5Å; Q64-G76 VanDerWaalsContact CG-CA 3.41Å
65	Q	92.6	Very high	87.1	Confident	80 Å²	80	59.9 Å²	59.9	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-46.6	175.9	-175.2	174.1	20	0	0	110.9	Y42 K61 K62 I63 K68 F69 V96	Y42-Q65 HydrophobicContact CD1-CB 4.38Å; Y42-Q65 HydrophobicContact CD1-CG 4.06Å; Y42-Q65 HydrophobicContact CE1-CG 4.19Å; K61-Q65 WeakPolarHBondContact O-CB 3.42Å; K61-Q65 PolarHBondContact O-N 3.36Å; K62-Q65 WeakPolarHBondContact O-CB 3.1Å; K62-Q65 PolarHBondContact O-N 3.12Å; I63-Q65 VanDerWaalsContact C-N 3.32Å; I63-Q65 PolarHBondContact O-N 3.19Å; Q65-K68 PolarHBondContact O-N 3Å; Q65-F69 WeakPolarHBondContact O-CB 3.39Å; Q65-F69 PolarHBondContact O-N 3.27Å; Q65-V96 HydrophobicContact CG-CG1 4.24Å
66	M	95.1	Very high	88.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.1	-50.4	177.1	177.9	-85.3	-96.5	0	0	112.4	Y37 L38 Y42 K62 I63 K68 F69 L70 T82 M86	Y37-M66 HydrophobicContact CD1-CE 4.44Å; Y37-M66 HydrophobicContact CE1-CE 4.25Å; Y37-M66 HydrophobicContact CE1-CG 3.9Å; L38-M66 HydrophobicContact CD2-CB 4.2Å; Y42-M66 HydrophobicContact CD1-CB 4.02Å; Y42-M66 HydrophobicContact CD2-CB 4.02Å; Y42-M66 HydrophobicContact CD2-CG 4.16Å; Y42-M66 HydrophobicContact CE1-CB 3.58Å; Y42-M66 HydrophobicContact CE1-CG 4.2Å; Y42-M66 HydrophobicContact CE2-CB 3.63Å; Y42-M66 HydrophobicContact CE2-CG 3.45Å; Y42-M66 VanDerWaalsContact CE2-CG 3.45Å; Y42-M66 HydrophobicContact CG-CB 4.24Å; Y42-M66 VanDerWaalsContact CZ-CG 3.47Å; Y42-M66 WeakPolarHBondContact OH-CA 3.28Å; K62-M66 WeakPolarHBondContact O-CB 3.42Å; K62-M66 PolarHBondContact O-N 2.9Å; I63-M66 PolarHBondContact O-N 2.83Å; M66-K68 VanDerWaalsContact C-N 3.27Å; M66-K68 PolarHBondContact O-N 3.33Å; M66-F69 PolarHBondContact O-N 3.28Å; M66-L70 HydrophobicContact CG-CD1 3.83Å; M66-L70 HydrophobicContact CG-CG 4.45Å; M66-L70 PolarHBondContact O-N 2.71Å; M66-L70 HydrophobicContact SD-CD1 3.59Å; M66-L70 VanDerWaalsContact SD-CD1 3.59Å; M66-L70 HydrophobicContact SD-CG 4.37Å; M66-T82 HydrophobicContact CE-CG2 3.66Å; M66-M86 HydrophobicContact CE-CE 3.14Å; M66-M86 HydrophobicContact CE-CG 3.49Å; M66-M86 VanDerWaalsContact CE-CG 3.49Å; M66-M86 HydrophobicContact CE-SD 4.05Å
67	Q	94.4	Very high	90.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-55.1	-46.6	178.1	-75.9	171.6	-31.3	0	0	110.8	I63 F69 L70 G71 L72 A73 A74 T75 K77 T82	I63-Q67 HydrophobicContact CG2-CG 4.13Å; I63-Q67 WeakPolarHBondContact O-CB 3.25Å; I63-Q67 VanDerWaalsContact O-CG 3.26Å; I63-Q67 WeakPolarHBondContact O-CG 3.28Å; I63-Q67 PolarHBondContact O-N 2.96Å; Q67-F69 VanDerWaalsContact C-N 3.34Å; Q67-F69 PolarHBondContact O-N 3.32Å; Q67-L70 PolarHBondContact O-N 2.82Å; Q67-G71 PolarHBondContact O-N 2.86Å; Q67-L72 CarbonylContact C-O 3.54Å; Q67-L72 HydrophobicContact CB-CB 3.89Å; Q67-L72 HydrophobicContact CG-CB 4.14Å; Q67-L72 HydrophobicContact CG-CD1 4.24Å; Q67-L72 WeakPolarHBondContact O-CA 3.1Å; Q67-L72 WeakPolarHBondContact O-CB 3.4Å; Q67-L72 PolarHBondContact O-N 3.46Å; Q67-A73 VanDerWaalsContact CD-O 3.26Å; Q67-A73 PolarHBondContact OE1-O 3.48Å; Q67-A74 VanDerWaalsContact OE1-C 3.32Å; Q67-T75 PolarHBondContact NE2-OG1 3.19Å; Q67-K77 PolarHBondContact NE2-O 2.78Å; Q67-T82 HydrophobicContact CG-CG2 4.38Å; Q67-T82 PolarHBondContact NE2-OG1 3.24Å
68	K	92.4	Very high	90.9	Very high	165 Å²	165	57.5 Å²	57.5	72%	0.717	32%	0.315	S	S	*	.	H	α-helix	trans	-61.8	-40.7	177.5	-175.4	-179.4	177.6	-175.2	0	112.5	Q64 Q65 M66	Q64-K68 VanDerWaalsContact O-CB 3.32Å; Q64-K68 WeakPolarHBondContact O-CB 3.37Å; Q64-K68 PolarHBondContact O-N 2.92Å; Q65-K68 PolarHBondContact O-N 3Å; M66-K68 VanDerWaalsContact C-N 3.27Å; M66-K68 PolarHBondContact O-N 3.33Å
69	F	90.2	Very high	91.3	Very high	39 Å²	39	56.2 Å²	56.2	17%	0.171	31%	0.309	C	S	.	.	H	α-helix	trans	-67.5	-41.7	-179.3	-171.8	-91	0	0	0	111.8	Y42 Q65 M66 Q67 G71 D95 H227 A229 P237	Y42-F69 HydrophobicContact CE1-CB 4.5Å; Q65-F69 WeakPolarHBondContact O-CB 3.39Å; Q65-F69 PolarHBondContact O-N 3.27Å; M66-F69 PolarHBondContact O-N 3.28Å; Q67-F69 VanDerWaalsContact C-N 3.34Å; Q67-F69 PolarHBondContact O-N 3.32Å; F69-G71 VanDerWaalsContact C-N 3.27Å; F69-G71 PolarHBondContact O-N 3.35Å; F69-D95 HydrophobicContact CD1-CB 4Å; F69-D95 HydrophobicContact CE1-CB 3.91Å; F69-D95 HydrophobicContact CG-CB 4.44Å; F69-D95 HydrophobicContact CZ-CB 4.26Å; F69-H227 HydrophobicContact CE1-CB 4.16Å; F69-H227 HydrophobicContact CZ-CB 3.76Å; F69-A229 HydrophobicContact CD2-CB 4.37Å; F69-A229 HydrophobicContact CE2-CB 4.33Å; F69-P237 HydrophobicContact CE1-CG 3.95Å
70	L	90.4	Very high	91.6	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.037	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	15.7	-179.2	-57.9	178.5	0	0	0	113.6	M66 Q67 L72 V85 Y236 P237 L238	M66-L70 HydrophobicContact CG-CD1 3.83Å; M66-L70 HydrophobicContact CG-CG 4.45Å; M66-L70 PolarHBondContact O-N 2.71Å; M66-L70 HydrophobicContact SD-CD1 3.59Å; M66-L70 VanDerWaalsContact SD-CD1 3.59Å; M66-L70 HydrophobicContact SD-CG 4.37Å; Q67-L70 PolarHBondContact O-N 2.82Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 PolarHBondContact O-N 2.88Å; L70-V85 HydrophobicContact CB-CG1 4.26Å; L70-V85 HydrophobicContact CD1-CG1 3.3Å; L70-V85 HydrophobicContact CG-CG1 4.35Å; L70-Y236 HydrophobicContact CD2-CE2 4.13Å; L70-Y236 PolarHBondContact O-OH 3.18Å; L70-P237 HydrophobicContact CD2-CG 3.61Å; L70-L238 HydrophobicContact CD2-CD1 4.42Å; L70-L238 HydrophobicContact CD2-CG 4.28Å
71	G	88.4	Confident	91.7	Very high	64 Å²	64	59.7 Å²	59.7	66%	0.66	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	13.2	174.9	0	0	0	0	0	116	Q67 F69	Q67-G71 PolarHBondContact O-N 2.86Å; F69-G71 VanDerWaalsContact C-N 3.27Å; F69-G71 PolarHBondContact O-N 3.35Å
72	L	91.1	Very high	91.8	Very high	42 Å²	42	53.9 Å²	53.9	22%	0.22	31%	0.307	C	S	.	.	S	Bend	trans	-85.5	162.1	174.8	-58.3	176.7	0	0	0	112	Q67 L70 A74 D81 V85	Q67-L72 CarbonylContact C-O 3.54Å; Q67-L72 HydrophobicContact CB-CB 3.89Å; Q67-L72 HydrophobicContact CG-CB 4.14Å; Q67-L72 HydrophobicContact CG-CD1 4.24Å; Q67-L72 WeakPolarHBondContact O-CA 3.1Å; Q67-L72 WeakPolarHBondContact O-CB 3.4Å; Q67-L72 PolarHBondContact O-N 3.46Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 PolarHBondContact O-N 2.88Å; L72-A74 PolarHBondContact O-N 3.3Å; L72-D81 HydrophobicContact CD2-CB 4.33Å; L72-V85 HydrophobicContact CD1-CB 4.25Å; L72-V85 HydrophobicContact CD1-CG2 4.11Å; L72-V85 HydrophobicContact CD2-CG2 4.33Å
73	A	92.4	Very high	91.9	Very high	74 Å²	74	53 Å²	53	61%	0.612	30%	0.304	S	S	*	.			trans	-65	126.6	169.7	0	0	0	0	0	110.2	Q67 T75	Q67-A73 VanDerWaalsContact CD-O 3.26Å; Q67-A73 PolarHBondContact OE1-O 3.48Å; A73-T75 HydrophobicContact CB-CG2 4.07Å; A73-T75 PolarHBondContact O-N 2.78Å
74	A	93.4	Very high	91.8	Very high	51 Å²	51	57.8 Å²	57.8	42%	0.421	33%	0.326	S	S	.	.			trans	-75	62.4	-177.3	0	0	0	0	0	113	Q64 Q67 L72	Q64-A74 HydrophobicContact CB-CB 4.33Å; Q64-A74 PolarHBondContact NE2-O 3.5Å; Q67-A74 VanDerWaalsContact OE1-C 3.32Å; L72-A74 PolarHBondContact O-N 3.3Å
75	T	92.6	Very high	91.7	Very high	58 Å²	58	54.9 Å²	54.9	36%	0.356	31%	0.314	S	S	.	.			trans	-75.8	-25.7	-178.1	65.7	0	0	0	0	112.8	Q67 A73 K77 D79	Q67-T75 PolarHBondContact NE2-OG1 3.19Å; A73-T75 HydrophobicContact CB-CG2 4.07Å; A73-T75 PolarHBondContact O-N 2.78Å; T75-K77 PolarHBondContact O-N 2.81Å; T75-K77 PolarHBondContact OG1-N 3.4Å; T75-D79 PolarHBondContact OG1-OD2 2.93Å; T75-D79 VanDerWaalsContact OG1-OD2 3.06Å
76	G	90.7	Very high	91.7	Very high	6 Å²	6	51.2 Å²	51.2	6%	0.062	30%	0.297	C	S	.	.			trans	70.9	13.9	-171.8	0	0	0	0	0	113.9	Q64	Q64-G76 VanDerWaalsContact CG-CA 3.41Å
77	K	92.2	Very high	91.5	Very high	146 Å²	146	56.7 Å²	56.7	64%	0.635	32%	0.317	S	S	*	.	S	Bend	trans	-111.1	149.5	-178.6	-61.5	-179	-178.5	178.9	0	110.3	Q67 T75 D79 T82	Q67-K77 PolarHBondContact NE2-O 2.78Å; T75-K77 PolarHBondContact O-N 2.81Å; T75-K77 PolarHBondContact OG1-N 3.4Å; K77-D79 PolarHBondContact O-N 3.27Å; K77-T82 PolarHBondContact O-OG1 2.86Å
78	L	91.1	Very high	91.4	Very high	57 Å²	57	60.4 Å²	60.4	30%	0.298	33%	0.333	S	S	.	.			trans	-81.8	65.7	169.1	-60.2	177.7	0	0	0	109.7	A34 I63 T82 L83 M86	A34-L78 HydrophobicContact CB-CD1 3.58Å; A34-L78 HydrophobicContact CB-CD2 3.56Å; A34-L78 HydrophobicContact CB-CG 4.21Å; I63-L78 HydrophobicContact CD1-CD2 3.74Å; I63-L78 HydrophobicContact CD1-CG 4.04Å; I63-L78 HydrophobicContact CG1-CD2 4.25Å; L78-T82 HydrophobicContact CD2-CG2 4.12Å; L78-L83 HydrophobicContact CB-CD1 4.45Å; L78-L83 HydrophobicContact CB-CD2 4.23Å; L78-L83 HydrophobicContact CB-CG 4.23Å; L78-L83 HydrophobicContact CD2-CD2 4.48Å; L78-M86 HydrophobicContact CD2-CE 3.85Å; L78-M86 HydrophobicContact CD2-SD 4.16Å
79	D	90.6	Very high	91.4	Very high	52 Å²	52	54.5 Å²	54.5	28%	0.278	31%	0.312	S	S	.	.			trans	-72.5	171.6	171.7	50.3	45.2	0	0	0	111.6	T75 K77 D81 T82 L83	T75-D79 PolarHBondContact OG1-OD2 2.93Å; T75-D79 VanDerWaalsContact OG1-OD2 3.06Å; K77-D79 PolarHBondContact O-N 3.27Å; D79-D81 PolarHBondContact O-N 2.95Å; D79-T82 PolarHBondContact O-N 3.12Å; D79-T82 VanDerWaalsContact OD1-CB 3.24Å; D79-T82 WeakPolarHBondContact OD1-CB 3.36Å; D79-T82 PolarHBondContact OD1-N 3.5Å; D79-T82 PolarHBondContact OD1-OG1 3.3Å; D79-L83 WeakPolarHBondContact O-CG 3.12Å; D79-L83 PolarHBondContact O-N 2.82Å
80	S	91.1	Very high	91.7	Very high	87 Å²	87	52.7 Å²	52.7	61%	0.608	30%	0.304	S	S	*	.	H	α-helix	trans	-53.1	-42.7	-177.5	47.6	0	0	0	0	112.1	L83 E84	S80-L83 PolarHBondContact O-N 2.62Å; S80-E84 WeakPolarHBondContact O-CB 3.47Å; S80-E84 PolarHBondContact O-N 2.78Å
81	D	90.4	Very high	91.9	Very high	91 Å²	91	52.6 Å²	52.6	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-73	-40.4	-173.4	-55.2	0.1	0	0	0	110.1	L72 D79 E84 V85	L72-D81 HydrophobicContact CD2-CB 4.33Å; D79-D81 PolarHBondContact O-N 2.95Å; D81-E84 PolarHBondContact O-N 3.5Å; D81-V85 WeakPolarHBondContact O-CG2 3.42Å; D81-V85 PolarHBondContact O-N 3.36Å
82	T	92.4	Very high	92.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.1	-46	172.9	-58.7	0	0	0	0	111.3	I63 M66 Q67 K77 L78 D79 V85 M86	I63-T82 HydrophobicContact CG2-CG2 4.32Å; M66-T82 HydrophobicContact CE-CG2 3.66Å; Q67-T82 HydrophobicContact CG-CG2 4.38Å; Q67-T82 PolarHBondContact NE2-OG1 3.24Å; K77-T82 PolarHBondContact O-OG1 2.86Å; L78-T82 HydrophobicContact CD2-CG2 4.12Å; D79-T82 PolarHBondContact O-N 3.12Å; D79-T82 VanDerWaalsContact OD1-CB 3.24Å; D79-T82 WeakPolarHBondContact OD1-CB 3.36Å; D79-T82 PolarHBondContact OD1-N 3.5Å; D79-T82 PolarHBondContact OD1-OG1 3.3Å; T82-V85 PolarHBondContact O-N 2.82Å; T82-M86 HydrophobicContact CG2-CE 4.16Å; T82-M86 HydrophobicContact CG2-SD 4.43Å; T82-M86 WeakPolarHBondContact O-CG 3.31Å; T82-M86 PolarHBondContact O-N 2.83Å
83	L	92.4	Very high	92	Very high	15 Å²	15	48.9 Å²	48.9	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-71.9	-29.3	179.7	-71.2	172.2	0	0	0	112.9	N30 L33 L78 D79 S80 M86 R87	N30-L83 HydrophobicContact CB-CD1 4.31Å; N30-L83 HydrophobicContact CB-CD2 4Å; L33-L83 HydrophobicContact CD2-CD2 4.41Å; L78-L83 HydrophobicContact CB-CD1 4.45Å; L78-L83 HydrophobicContact CB-CD2 4.23Å; L78-L83 HydrophobicContact CB-CG 4.23Å; L78-L83 HydrophobicContact CD2-CD2 4.48Å; D79-L83 WeakPolarHBondContact O-CG 3.12Å; D79-L83 PolarHBondContact O-N 2.82Å; S80-L83 PolarHBondContact O-N 2.62Å; L83-M86 HydrophobicContact CD2-SD 4.46Å; L83-R87 WeakPolarHBondContact O-CG 3.24Å; L83-R87 PolarHBondContact O-N 3.24Å; L83-R87 PolarHBondContact O-NH1 3.21Å; L83-R87 VanDerWaalsContact O-NH1 3.13Å
84	E	90.5	Very high	91.8	Very high	107 Å²	107	46.6 Å²	46.6	50%	0.5	25%	0.252	S	S	.	.	H	α-helix	trans	-65.7	-47.8	172.1	-170.2	-165.4	132.3	0	0	110.1	S80 D81 R87 K88	S80-E84 WeakPolarHBondContact O-CB 3.47Å; S80-E84 PolarHBondContact O-N 2.78Å; D81-E84 PolarHBondContact O-N 3.5Å; E84-R87 PolarHBondContact O-N 3.48Å; E84-K88 PolarHBondContact O-N 2.67Å; E84-K88 VanDerWaalsContact OE1-CE 3.26Å; E84-K88 WeakPolarHBondContact OE1-CE 3.29Å; E84-K88 IonicContact OE1-NZ 3.56Å; E84-K88 PolarHBondContact OE1-NZ 2.78Å
85	V	92.1	Very high	91.4	Very high	12 Å²	12	44.4 Å²	44.4	7%	0.073	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-41.1	179.1	164.5	0	0	0	0	112.3	L70 L72 D81 T82 R87 K88 L238	L70-V85 HydrophobicContact CB-CG1 4.26Å; L70-V85 HydrophobicContact CD1-CG1 3.3Å; L70-V85 HydrophobicContact CG-CG1 4.35Å; L72-V85 HydrophobicContact CD1-CB 4.25Å; L72-V85 HydrophobicContact CD1-CG2 4.11Å; L72-V85 HydrophobicContact CD2-CG2 4.33Å; D81-V85 WeakPolarHBondContact O-CG2 3.42Å; D81-V85 PolarHBondContact O-N 3.36Å; T82-V85 PolarHBondContact O-N 2.82Å; V85-R87 PolarHBondContact O-N 2.79Å; V85-K88 PolarHBondContact O-N 2.63Å; V85-K88 VanDerWaalsContact O-N 3.13Å; V85-L238 HydrophobicContact CG1-CD1 3.69Å
86	M	92.4	Very high	90.4	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-22.3	176.7	-76.5	-179.5	168.1	0	0	113.9	L33 A34 Y37 M66 L78 T82 L83	L33-M86 HydrophobicContact CD2-CB 4.28Å; L33-M86 HydrophobicContact CG-CB 4.49Å; A34-M86 HydrophobicContact CB-CE 3.83Å; A34-M86 HydrophobicContact CB-SD 3.98Å; Y37-M86 HydrophobicContact CD1-CE 4.34Å; Y37-M86 HydrophobicContact CD1-CG 4.15Å; Y37-M86 HydrophobicContact CD2-CB 3.96Å; Y37-M86 HydrophobicContact CD2-CG 3.98Å; Y37-M86 HydrophobicContact CE1-CG 4.4Å; Y37-M86 HydrophobicContact CE2-CB 4.18Å; Y37-M86 HydrophobicContact CE2-CG 4.24Å; Y37-M86 WeakPolarHBondContact CE2-O 3.28Å; Y37-M86 HydrophobicContact CG-CB 4.39Å; Y37-M86 HydrophobicContact CG-CG 3.94Å; M66-M86 HydrophobicContact CE-CE 3.14Å; M66-M86 HydrophobicContact CE-CG 3.49Å; M66-M86 VanDerWaalsContact CE-CG 3.49Å; M66-M86 HydrophobicContact CE-SD 4.05Å; L78-M86 HydrophobicContact CD2-CE 3.85Å; L78-M86 HydrophobicContact CD2-SD 4.16Å; T82-M86 HydrophobicContact CG2-CE 4.16Å; T82-M86 HydrophobicContact CG2-SD 4.43Å; T82-M86 WeakPolarHBondContact O-CG 3.31Å; T82-M86 PolarHBondContact O-N 2.83Å; L83-M86 HydrophobicContact CD2-SD 4.46Å
87	R	90.8	Very high	88.8	Confident	115 Å²	115	43.2 Å²	43.2	43%	0.434	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-3.3	179.1	-67.9	-177.1	-170.7	105.2	0.1	113.5	N30 L33 L83 E84 V85	N30-R87 PolarHBondContact OD1-NH2 2.69Å; L33-R87 HydrophobicContact CD2-CG 3.81Å; L83-R87 WeakPolarHBondContact O-CG 3.24Å; L83-R87 PolarHBondContact O-N 3.24Å; L83-R87 PolarHBondContact O-NH1 3.21Å; L83-R87 VanDerWaalsContact O-NH1 3.13Å; E84-R87 PolarHBondContact O-N 3.48Å; V85-R87 PolarHBondContact O-N 2.79Å
88	K	91.4	Very high	86.5	Confident	78 Å²	78	44.7 Å²	44.7	34%	0.339	24%	0.237	S	C	.	.	S	Bend	trans	-74.4	137.8	177.6	-74.5	-179.7	-178	172.5	0	109.2	E84 V85 L238	E84-K88 PolarHBondContact O-N 2.67Å; E84-K88 VanDerWaalsContact OE1-CE 3.26Å; E84-K88 WeakPolarHBondContact OE1-CE 3.29Å; E84-K88 IonicContact OE1-NZ 3.56Å; E84-K88 PolarHBondContact OE1-NZ 2.78Å; V85-K88 PolarHBondContact O-N 2.63Å; V85-K88 VanDerWaalsContact O-N 3.13Å; K88-L238 HydrophobicContact CB-CD2 4.45Å; K88-L238 HydrophobicContact CD-CD1 4.41Å
89	P	93.7	Very high	84	Confident	40 Å²	40	45.7 Å²	45.7	26%	0.26	24%	0.24	S	C	.	.			trans	-56.5	144.4	171.5	-17.8	27.1	0	0	0	110.5	G177 H178 L180 Y239	P89-G177 WeakPolarHBondContact CG-O 3.5Å; P89-H178 CarbonylContact C-O 3.59Å; P89-H178 WeakPolarHBondContact CA-O 3.3Å; P89-L180 HydrophobicContact CB-CD1 3.93Å; P89-L180 HydrophobicContact CB-CD2 3.82Å; P89-L180 HydrophobicContact CB-CG 3.92Å; P89-Y239 WeakPolarHBondContact O-CB 3.37Å; P89-Y239 PolarHBondContact O-N 3.39Å
90	R	95	Very high	81.2	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.008	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-153.7	171.5	-172.7	61.5	164	-71.1	154.6	7	112.9	Y37 Y41 V93 D95 H178 L180 H227 P237 L238	Y37-R90 PolarHBondContact OH-NH1 3.2Å; Y41-R90 VanDerWaalsContact CG-CZ 3.47Å; R90-V93 PolarHBondContact NH2-O 3.09Å; R90-D95 IonicContact CZ-OD1 3.25Å; R90-D95 IonicContact CZ-OD2 3.93Å; R90-D95 IonicContact NH1-OD1 2.69Å; R90-D95 PolarHBondContact NH1-OD1 2.93Å; R90-D95 IonicContact NH1-OD2 2.61Å; R90-D95 PolarHBondContact NH1-OD2 2.94Å; R90-D95 IonicContact NH2-OD1 2.63Å; R90-D95 PolarHBondContact NH2-OD1 3.49Å; R90-D95 IonicContact NH2-OD2 3.58Å; R90-H178 PolarHBondContact N-O 2.84Å; R90-L180 PolarHBondContact O-N 2.76Å; R90-H227 PolarHBondContact NH2-CE1 3.01Å; R90-P237 CarbonylContact C-O 3.57Å; R90-P237 WeakPolarHBondContact CA-O 3.39Å; R90-P237 WeakPolarHBondContact CB-O 3.45Å; R90-L238 HydrophobicContact CB-CD2 3.95Å
91	C	95.9	Very high	78.3	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.034	25%	0.251	C	S	.	.			trans	-68	141.8	165.4	177.2	0	0	0	0	111.2	V93 H217 E218 H227 P237	C91-V93 VanDerWaalsContact C-N 3.29Å; C91-V93 PolarHBondContact O-N 2.84Å; C91-V93 PolarHBondContact SG-N 3.46Å; C91-V93 VanDerWaalsContact SG-N 3.36Å; C91-H217 WeakPolarHBondContact CB-NE2 3.47Å; C91-E218 PolarHBondContact SG-OE1 3.2Å; C91-E218 PolarHBondContact SG-OE2 3.07Å; C91-H227 WeakPolarHBondContact CB-NE2 3.32Å; C91-P237 PolarHBondContact N-O 3.04Å
92	G	91.6	Very high	75.5	Confident	16 Å²	16	48.2 Å²	48.2	17%	0.165	24%	0.24	C	C	.	.	S	Bend	trans	-72.5	-14.8	178.8	0	0	0	0	0	114.7	S179 A181	G92-S179 WeakPolarHBondContact CA-OG 3.41Å; G92-A181 WeakPolarHBondContact CA-O 3.45Å; G92-A181 PolarHBondContact N-O 3.37Å
93	V	89.6	Confident	72.6	Confident	12 Å²	12	51.4 Å²	51.4	7%	0.073	26%	0.261	C	S	.	.	S	Bend	trans	-68.2	139	179.3	177.7	0	0	0	0	110.6	R90 C91 H182 F226 H227	R90-V93 PolarHBondContact NH2-O 3.09Å; C91-V93 VanDerWaalsContact C-N 3.29Å; C91-V93 PolarHBondContact O-N 2.84Å; C91-V93 PolarHBondContact SG-N 3.46Å; C91-V93 VanDerWaalsContact SG-N 3.36Å; V93-H182 HydrophobicContact CG2-CB 4.15Å; V93-F226 HydrophobicContact CG1-CE2 4.05Å; V93-H227 PolarHBondContact O-CE1 3.35Å
94	P	87.2	Confident	70.2	Confident	26 Å²	26	51 Å²	51	17%	0.169	26%	0.26	C	S	.	.			trans	-63.5	146.2	176.9	-23.3	33.1	0	0	0	113.7	V96 F226	P94-V96 VanDerWaalsContact C-N 3.33Å; P94-F226 WeakPolarHBondContact O-CE2 3.34Å; P94-F226 WeakPolarHBondContact O-CZ 3.49Å
95	D	85.4	Confident	68.3	Low	4 Å²	4	50.8 Å²	50.8	2%	0.021	26%	0.261	C	S	.	.	S	Bend	trans	-80.3	-19	177.2	-63.2	-24.5	0	0	0	112.6	Y41 Y42 F69 R90 F226 H227	Y41-D95 PolarHBondContact O-N 2.91Å; Y42-D95 HydrophobicContact CE1-CB 4.07Å; Y42-D95 HydrophobicContact CE2-CB 4Å; Y42-D95 WeakPolarHBondContact CE2-OD2 3.43Å; Y42-D95 WeakPolarHBondContact OH-CB 3.39Å; Y42-D95 PolarHBondContact OH-OD2 2.83Å; F69-D95 HydrophobicContact CD1-CB 4Å; F69-D95 HydrophobicContact CE1-CB 3.91Å; F69-D95 HydrophobicContact CG-CB 4.44Å; F69-D95 HydrophobicContact CZ-CB 4.26Å; R90-D95 IonicContact CZ-OD1 3.25Å; R90-D95 IonicContact CZ-OD2 3.93Å; R90-D95 IonicContact NH1-OD1 2.69Å; R90-D95 PolarHBondContact NH1-OD1 2.93Å; R90-D95 IonicContact NH1-OD2 2.61Å; R90-D95 PolarHBondContact NH1-OD2 2.94Å; R90-D95 IonicContact NH2-OD1 2.63Å; R90-D95 PolarHBondContact NH2-OD1 3.49Å; R90-D95 IonicContact NH2-OD2 3.58Å; D95-F226 WeakPolarHBondContact O-CE1 3.42Å; D95-H227 IonicContact OD1-CE1 3.48Å; D95-H227 IonicContact OD1-CG 3.58Å; D95-H227 IonicContact OD1-ND1 2.79Å; D95-H227 PolarHBondContact OD1-ND1 3.41Å
96	V	72.6	Confident	67	Low	20 Å²	20	51.1 Å²	51.1	12%	0.121	26%	0.264	C	S	.	.	S	Bend	trans	-140.1	144.6	-179.1	-43.4	0	0	0	0	108.7	Y41 Y42 N43 Q65 P94	Y41-V96 PolarHBondContact O-N 2.92Å; Y42-V96 VanDerWaalsContact C-CG2 3.49Å; Y42-V96 VanDerWaalsContact CA-CG2 3.47Å; Y42-V96 HydrophobicContact CD1-CB 4.48Å; Y42-V96 HydrophobicContact CD1-CG1 3.58Å; Y42-V96 HydrophobicContact CD1-CG2 4.05Å; Y42-V96 HydrophobicContact CE1-CG1 3.6Å; Y42-V96 HydrophobicContact CG-CG2 4.42Å; Y42-V96 WeakPolarHBondContact O-CG2 3.49Å; N43-V96 PolarHBondContact ND2-O 2.86Å; Q65-V96 HydrophobicContact CG-CG1 4.24Å; P94-V96 VanDerWaalsContact C-N 3.33Å
97	G	56.9	Low	66.4	Low	20 Å²	20	55.4 Å²	55.4	21%	0.206	28%	0.282	C	S	.	.	S	Bend	trans	140.1	179.8	-176.4	0	0	0	0	0	112.4	N43 F99	N43-G97 WeakPolarHBondContact ND2-CA 3.45Å; G97-F99 PolarHBondContact O-N 3.47Å
98	H	43.2	Very low	66.2	Low	176 Å²	176	51.1 Å²	51.1	82%	0.815	27%	0.266	S	S	*	.	S	Bend	trans	-75	53.1	-170.6	-70.2	83.7	0	0	0	113.5
99	F	38.9	Very low	65.9	Low	79 Å²	79	59.5 Å²	59.5	35%	0.346	30%	0.296	S	S	.	.			trans	-110.5	58.5	143.3	-55.9	-66.8	0	0	0	107	G97 T101 P185 F226	G97-F99 PolarHBondContact O-N 3.47Å; F99-T101 PolarHBondContact O-N 2.82Å; F99-P185 HydrophobicContact CD1-CG 4.14Å; F99-P185 HydrophobicContact CE1-CB 4.46Å; F99-P185 HydrophobicContact CE1-CG 3.52Å; F99-P185 HydrophobicContact CZ-CG 4.1Å; F99-F226 HydrophobicContact CB-CD2 3.72Å; F99-F226 HydrophobicContact CB-CE2 3.75Å; F99-F226 HydrophobicContact CB-CG 4.45Å; F99-F226 HydrophobicContact CB-CZ 4.42Å; F99-F226 HydrophobicContact CD2-CD2 4.12Å; F99-F226 AromaticContact CD2-CE2 3.53Å; F99-F226 HydrophobicContact CD2-CE2 3.53Å; F99-F226 HydrophobicContact CD2-CZ 4.37Å; F99-F226 HydrophobicContact CG-CD2 4.26Å; F99-F226 HydrophobicContact CG-CE2 4.05Å
100	H	31.7	Very low	65.6	Low	155 Å²	155	62 Å²	62	72%	0.718	30%	0.303	S	S	*	.			trans	-68.2	87.6	160.2	-82.8	-69.7	0	0	0	106.2	F102	H100-F102 PolarHBondContact O-N 3.03Å; H100-F102 VanDerWaalsContact O-N 3.14Å
101	T	30.5	Very low	65.4	Low	66 Å²	66	65.5 Å²	65.5	41%	0.405	32%	0.324	S	S	.	.			trans	-62.2	110.6	179.9	42.9	0	0	0	0	108.5	F99 I105 F226	F99-T101 PolarHBondContact O-N 2.82Å; T101-I105 WeakPolarHBondContact CA-O 3.25Å; T101-F226 HydrophobicContact CG2-CB 4.44Å
102	F	30.3	Very low	65.5	Low	61 Å²	61	69.5 Å²	69.5	27%	0.268	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-53.8	148.1	151.4	-57.5	-97.4	0	0	0	106.9	H100 G104 I105 E324	H100-F102 PolarHBondContact O-N 3.03Å; H100-F102 VanDerWaalsContact O-N 3.14Å; F102-G104 PolarHBondContact O-N 2.76Å; F102-I105 HydrophobicContact CB-CB 4.2Å; F102-I105 HydrophobicContact CD2-CB 4.06Å; F102-I105 HydrophobicContact CG-CB 4.46Å; F102-I105 PolarHBondContact N-O 2.98Å; F102-I105 PolarHBondContact O-N 3.14Å; F102-E324 HydrophobicContact CD1-CB 4.17Å; F102-E324 HydrophobicContact CD1-CG 3.74Å; F102-E324 HydrophobicContact CE1-CB 4.26Å; F102-E324 HydrophobicContact CE1-CG 3.41Å; F102-E324 VanDerWaalsContact CE1-CG 3.41Å; F102-E324 HydrophobicContact CZ-CG 4.42Å
103	P	33.4	Very low	65.8	Low	68 Å²	68	68.7 Å²	68.7	44%	0.442	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	109.6	159.9	6.7	-1	0	0	0	107.5	F325	P103-F325 WeakPolarHBondContact CD-O 3.45Å; P103-F325 WeakPolarHBondContact CG-O 3.16Å
104	G	42.1	Very low	66.2	Low	5 Å²	5	69.2 Å²	69.2	5%	0.052	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	11.2	178.3	0	0	0	0	0	117.4	F102 K107 L261	F102-G104 PolarHBondContact O-N 2.76Å; G104-K107 WeakPolarHBondContact O-CB 3.3Å; G104-K107 WeakPolarHBondContact O-CD 3.37Å; G104-K107 WeakPolarHBondContact O-CE 3.46Å; G104-K107 WeakPolarHBondContact O-CG 3.32Å; G104-L261 VanDerWaalsContact N-CD2 3.34Å
105	I	50.6	Low	66.7	Low	103 Å²	103	68.7 Å²	68.7	53%	0.528	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-141.3	129.8	162.7	-58.6	180	0	0	0	108.8	T101 F102	T101-I105 WeakPolarHBondContact CA-O 3.25Å; F102-I105 HydrophobicContact CB-CB 4.2Å; F102-I105 HydrophobicContact CD2-CB 4.06Å; F102-I105 HydrophobicContact CG-CB 4.46Å; F102-I105 PolarHBondContact N-O 2.98Å; F102-I105 PolarHBondContact O-N 3.14Å
106	P	63.4	Low	67.3	Low	19 Å²	19	71.5 Å²	71.5	12%	0.123	34%	0.342	C	S	.	.	S	Bend	cis	-80.4	129	5.2	29.9	-25.7	0	0	0	110.8	P185 P186 G224	P106-P185 HydrophobicContact CB-CB 3.55Å; P106-P185 HydrophobicContact CB-CG 4.48Å; P106-P185 HydrophobicContact CG-CB 3.17Å; P106-P185 HydrophobicContact CG-CG 4.18Å; P106-P186 HydrophobicContact CB-CB 4.28Å; P106-P186 HydrophobicContact CB-CG 4.22Å; P106-G224 WeakPolarHBondContact O-CA 3.31Å
107	K	80.8	Confident	68.5	Low	93 Å²	93	71.2 Å²	71.2	40%	0.404	34%	0.34	S	S	.	.			trans	-141	149.7	173.4	89	177.3	163.7	179.9	0	109.4	G104 R109 P186 L261 Y262	G104-K107 WeakPolarHBondContact O-CB 3.3Å; G104-K107 WeakPolarHBondContact O-CD 3.37Å; G104-K107 WeakPolarHBondContact O-CE 3.46Å; G104-K107 WeakPolarHBondContact O-CG 3.32Å; K107-R109 PolarHBondContact O-N 2.76Å; K107-P186 VanDerWaalsContact C-CB 3.49Å; K107-L261 HydrophobicContact CB-CB 4.46Å; K107-L261 WeakPolarHBondContact CD-O 3.39Å; K107-L261 PolarHBondContact NZ-O 3.18Å; K107-Y262 HydrophobicContact CB-CE1 4.22Å
108	W	85.4	Confident	70.4	Confident	25 Å²	25	73.6 Å²	73.6	10%	0.095	35%	0.35	C	S	.	.			trans	-67.3	133.7	170.1	-65.6	105	0	0	0	111	K110 L113 D157 I158 P186 G187 Y191 S222 Y262	W108-K110 WeakPolarHBondContact CB-O 3.44Å; W108-K110 PolarHBondContact O-N 2.85Å; W108-L113 HydrophobicContact CB-CD1 4.27Å; W108-L113 HydrophobicContact CB-CD2 3.66Å; W108-L113 HydrophobicContact CD2-CD1 4.48Å; W108-L113 HydrophobicContact CD2-CD2 3.67Å; W108-L113 HydrophobicContact CE3-CD2 4.16Å; W108-L113 HydrophobicContact CG-CD1 3.79Å; W108-L113 HydrophobicContact CG-CD2 3.44Å; W108-L113 VanDerWaalsContact CG-CD2 3.44Å; W108-L113 HydrophobicContact CG-CG 4.27Å; W108-D157 HydrophobicContact CH2-CB 3.93Å; W108-D157 WeakPolarHBondContact CH2-O 3.35Å; W108-D157 HydrophobicContact CZ2-CB 4.16Å; W108-D157 WeakPolarHBondContact CZ2-O 3.27Å; W108-D157 HydrophobicContact CZ3-CB 4.19Å; W108-I158 HydrophobicContact CZ2-CG1 4.18Å; W108-P186 HydrophobicContact CD2-CB 3.83Å; W108-P186 HydrophobicContact CE3-CB 4.4Å; W108-P186 HydrophobicContact CG-CB 3.99Å; W108-P186 HydrophobicContact CG-CG 4.33Å; W108-P186 HydrophobicContact CZ2-CB 4.28Å; W108-G187 VanDerWaalsContact CH2-O 3.22Å; W108-G187 WeakPolarHBondContact CH2-O 3.34Å; W108-G187 VanDerWaalsContact CZ3-O 3.3Å; W108-G187 WeakPolarHBondContact CZ3-O 3.35Å; W108-Y191 WeakPolarHBondContact CH2-O 3.47Å; W108-S222 PolarHBondContact NE1-O 3.37Å; W108-Y262 HydrophobicContact CB-CE1 4.2Å; W108-Y262 PolarHBondContact N-OH 3.28Å
109	R	85.9	Confident	73	Confident	255 Å²	255	68.1 Å²	68.1	96%	0.962	33%	0.327	S	S	*	.	S	Bend	trans	-73.5	-13.9	176.9	-64.6	-175.4	179.7	-168.9	0	113.1	K107	K107-R109 PolarHBondContact O-N 2.76Å
110	K	88.3	Confident	75.8	Confident	93 Å²	93	66 Å²	66	40%	0.404	32%	0.317	S	S	.	.			trans	-116	153.2	178.6	57.9	-179.8	175.6	166.2	0	109.5	W108 H112 L113 D157	W108-K110 WeakPolarHBondContact CB-O 3.44Å; W108-K110 PolarHBondContact O-N 2.85Å; K110-H112 VanDerWaalsContact CD-O 3.3Å; K110-H112 WeakPolarHBondContact CD-O 3.41Å; K110-L113 HydrophobicContact CD-CD2 4.39Å; K110-L113 HydrophobicContact CG-CD2 3.84Å; K110-D157 WeakPolarHBondContact CE-OD1 3.37Å; K110-D157 WeakPolarHBondContact CE-OD2 3.31Å; K110-D157 IonicContact NZ-OD1 3.9Å; K110-D157 PolarHBondContact NZ-OD1 2.79Å; K110-D157 IonicContact NZ-OD2 2.78Å; K110-D157 PolarHBondContact NZ-OD2 2.77Å
111	T	90.6	Very high	78.9	Confident	74 Å²	74	58.8 Å²	58.8	45%	0.454	28%	0.284	S	S	.	.	S	Bend	trans	-98.9	-16.4	178.2	52.6	0	0	0	0	113.1	P145 L146 T147	T111-P145 HydrophobicContact CG2-CG 4.47Å; T111-L146 HydrophobicContact CG2-CD2 4.35Å; T111-L146 CarbonylContact O-C 3.58Å; T111-L146 VanDerWaalsContact O-CA 3.26Å; T111-L146 WeakPolarHBondContact O-CA 3.3Å; T111-T147 PolarHBondContact O-N 3.02Å
112	H	97	Very high	82.1	Confident	89 Å²	89	63.5 Å²	63.5	41%	0.412	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.6	168.7	-170.3	74.4	0	0	0	109.2	K110 T147 S149	K110-H112 VanDerWaalsContact CD-O 3.3Å; K110-H112 WeakPolarHBondContact CD-O 3.41Å; H112-T147 CarbonylContact C-O 3.55Å; H112-T147 WeakPolarHBondContact CA-O 3.14Å; H112-T147 PolarHBondContact ND1-OG1 3.02Å; H112-S149 PolarHBondContact NE2-OG 3.08Å
113	L	97.6	Very high	85.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	147.2	-179.6	-60.4	175	0	0	0	110.5	W108 K110 L146 T147 F148 S149 D157 L223	W108-L113 HydrophobicContact CB-CD1 4.27Å; W108-L113 HydrophobicContact CB-CD2 3.66Å; W108-L113 HydrophobicContact CD2-CD1 4.48Å; W108-L113 HydrophobicContact CD2-CD2 3.67Å; W108-L113 HydrophobicContact CE3-CD2 4.16Å; W108-L113 HydrophobicContact CG-CD1 3.79Å; W108-L113 HydrophobicContact CG-CD2 3.44Å; W108-L113 VanDerWaalsContact CG-CD2 3.44Å; W108-L113 HydrophobicContact CG-CG 4.27Å; K110-L113 HydrophobicContact CD-CD2 4.39Å; K110-L113 HydrophobicContact CG-CD2 3.84Å; L113-L146 HydrophobicContact CD1-CD2 4.41Å; L113-T147 PolarHBondContact N-O 3.4Å; L113-F148 HydrophobicContact CB-CD1 3.82Å; L113-F148 HydrophobicContact CB-CE1 3.92Å; L113-F148 HydrophobicContact CD1-CD1 4.48Å; L113-F148 HydrophobicContact CD1-CE1 3.72Å; L113-F148 HydrophobicContact CD1-CZ 4.15Å; L113-F148 HydrophobicContact CG-CE1 4.37Å; L113-F148 CarbonylContact O-C 3.58Å; L113-F148 VanDerWaalsContact O-CA 3.24Å; L113-F148 WeakPolarHBondContact O-CA 3.27Å; L113-S149 PolarHBondContact O-N 2.99Å; L113-D157 WeakPolarHBondContact CA-OD2 3.47Å; L113-D157 HydrophobicContact CD2-CB 4.29Å; L113-L223 HydrophobicContact CD1-CD2 3.51Å
114	T	97.7	Very high	88.4	Confident	22 Å²	22	61.9 Å²	61.9	14%	0.135	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.5	171	53.2	0	0	0	0	109.9	S149 L151 A156 D157 I158	T114-S149 CarbonylContact C-O 3.48Å; T114-S149 VanDerWaalsContact CA-O 3.23Å; T114-S149 WeakPolarHBondContact CA-O 3.39Å; T114-S149 WeakPolarHBondContact CG2-OG 3.4Å; T114-L151 HydrophobicContact CG2-CD1 3.84Å; T114-L151 HydrophobicContact CG2-CD2 4.17Å; T114-L151 HydrophobicContact CG2-CG 3.93Å; T114-A156 WeakPolarHBondContact OG1-CA 3.2Å; T114-D157 PolarHBondContact N-OD2 3.14Å; T114-D157 WeakPolarHBondContact O-CB 3.23Å; T114-D157 PolarHBondContact O-N 2.87Å; T114-D157 PolarHBondContact OG1-N 3.37Å; T114-D157 PolarHBondContact OG1-OD2 3.33Å; T114-I158 PolarHBondContact O-N 2.95Å
115	Y	98.5	Very high	91	Very high	16 Å²	16	65.2 Å²	65.2	6%	0.063	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.6	169.4	75.3	-83.2	0	0	0	110.9	I133 V137 F148 S149 R150 L151 I158 I160	Y115-I133 HydrophobicContact CD2-CG2 3.98Å; Y115-I133 HydrophobicContact CE2-CG2 3.6Å; Y115-V137 HydrophobicContact CD1-CG2 4.4Å; Y115-V137 HydrophobicContact CE1-CG2 4.28Å; Y115-F148 HydrophobicContact CD1-CB 4.26Å; Y115-F148 HydrophobicContact CE1-CB 4.39Å; Y115-S149 PolarHBondContact N-O 3.21Å; Y115-R150 HydrophobicContact CD1-CB 4.48Å; Y115-R150 HydrophobicContact CD2-CG 4.45Å; Y115-R150 HydrophobicContact CE1-CB 3.83Å; Y115-R150 HydrophobicContact CE1-CG 4.49Å; Y115-R150 HydrophobicContact CE2-CB 4.15Å; Y115-R150 HydrophobicContact CE2-CG 3.92Å; Y115-R150 CarbonylContact O-C 3.49Å; Y115-R150 WeakPolarHBondContact O-CA 3.32Å; Y115-L151 PolarHBondContact O-N 2.97Å; Y115-I158 CarbonylContact C-O 3.56Å; Y115-I158 VanDerWaalsContact CA-O 3.22Å; Y115-I158 WeakPolarHBondContact CA-O 3.33Å; Y115-I160 HydrophobicContact CD2-CD1 3.96Å
116	R	97.9	Very high	93.3	Very high	62 Å²	62	68.3 Å²	68.3	23%	0.234	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	128.9	177.3	176.8	172.8	177.3	-139.6	-9.5	110.4	V118 L151 G154 A156 I158 M159 I160	R116-V118 PolarHBondContact O-N 2.9Å; R116-L151 HydrophobicContact CB-CB 4.47Å; R116-L151 WeakPolarHBondContact CG-O 3.06Å; R116-G154 WeakPolarHBondContact CD-O 3.08Å; R116-G154 PolarHBondContact NH1-O 3.34Å; R116-A156 HydrophobicContact CB-CB 3.72Å; R116-I158 PolarHBondContact N-O 2.84Å; R116-M159 HydrophobicContact CB-SD 3.96Å; R116-I160 PolarHBondContact O-N 3.22Å
117	I	98.4	Very high	94.9	Very high	14 Å²	14	73 Å²	73	7%	0.072	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.7	168.8	-57.1	167.2	0	0	0	107.5	N119 Y120 D130 I133 I160	I117-N119 WeakPolarHBondContact CG2-O 3.3Å; I117-Y120 HydrophobicContact CB-CE2 4.4Å; I117-Y120 HydrophobicContact CD1-CE1 4.44Å; I117-Y120 HydrophobicContact CG2-CD1 4.33Å; I117-Y120 HydrophobicContact CG2-CD2 4.15Å; I117-Y120 HydrophobicContact CG2-CE1 3.88Å; I117-Y120 HydrophobicContact CG2-CE2 3.67Å; I117-Y120 HydrophobicContact CG2-CG 4.44Å; I117-D130 VanDerWaalsContact CD1-OD1 3.24Å; I117-D130 WeakPolarHBondContact CD1-OD1 3.35Å; I117-I133 HydrophobicContact CD1-CB 4.21Å; I117-I133 HydrophobicContact CD1-CG1 4.05Å; I117-I133 HydrophobicContact CD1-CG2 4.38Å; I117-I133 HydrophobicContact CG1-CG1 4.47Å; I117-I160 HydrophobicContact CG1-CB 4.44Å
118	V	96.8	Very high	95.7	Very high	70 Å²	70	68.9 Å²	68.9	42%	0.424	33%	0.329	S	S	.	.			trans	-79.9	-47.3	-173.5	-179.7	0	0	0	0	110.7	R116 M159 I160	R116-V118 PolarHBondContact O-N 2.9Å; V118-M159 HydrophobicContact CG2-CB 4.1Å; V118-M159 HydrophobicContact CG2-CE 3.61Å; V118-I160 WeakPolarHBondContact CB-O 3.36Å; V118-I160 PolarHBondContact N-O 3.03Å
119	N	96.6	Very high	96.3	Very high	62 Å²	62	67.7 Å²	67.7	33%	0.332	32%	0.324	S	S	.	.			trans	-143.2	176.8	176.3	67.3	-26	0	0	0	110	I117 S161 F162	I117-N119 WeakPolarHBondContact CG2-O 3.3Å; N119-S161 WeakPolarHBondContact OD1-CA 3.48Å; N119-S161 VanDerWaalsContact OD1-CB 3.25Å; N119-S161 WeakPolarHBondContact OD1-CB 3.31Å; N119-F162 PolarHBondContact ND2-O 3.31Å; N119-F162 WeakPolarHBondContact O-CD2 3.32Å; N119-F162 PolarHBondContact OD1-N 3.12Å
120	Y	98.2	Very high	96.9	Very high	34 Å²	34	57.2 Å²	57.2	13%	0.133	29%	0.288	C	S	.	.			trans	-132.3	141.7	-173.2	-71.8	-98.4	0	0	0	109.5	I117 R126 V129 D130 R150	I117-Y120 HydrophobicContact CB-CE2 4.4Å; I117-Y120 HydrophobicContact CD1-CE1 4.44Å; I117-Y120 HydrophobicContact CG2-CD1 4.33Å; I117-Y120 HydrophobicContact CG2-CD2 4.15Å; I117-Y120 HydrophobicContact CG2-CE1 3.88Å; I117-Y120 HydrophobicContact CG2-CE2 3.67Å; I117-Y120 HydrophobicContact CG2-CG 4.44Å; Y120-R126 HydrophobicContact CD1-CB 3.94Å; Y120-R126 HydrophobicContact CD1-CG 3.75Å; Y120-R126 HydrophobicContact CD2-CG 4.3Å; Y120-R126 HydrophobicContact CE1-CB 3.9Å; Y120-R126 HydrophobicContact CE1-CG 4.11Å; Y120-R126 HydrophobicContact CG-CG 3.86Å; Y120-V129 HydrophobicContact CD1-CB 3.66Å; Y120-V129 HydrophobicContact CD1-CG1 3.58Å; Y120-V129 HydrophobicContact CD1-CG2 4.03Å; Y120-V129 HydrophobicContact CE1-CB 3.83Å; Y120-V129 HydrophobicContact CE1-CG1 3.67Å; Y120-D130 VanDerWaalsContact CE1-OD1 3.22Å; Y120-D130 WeakPolarHBondContact CE1-OD1 3.44Å; Y120-D130 VanDerWaalsContact CZ-OD1 3.31Å; Y120-D130 PolarHBondContact OH-OD1 3.14Å; Y120-R150 PolarHBondContact OH-NH2 3.4Å
121	T	97.5	Very high	97.3	Very high	4 Å²	4	54.7 Å²	54.7	3%	0.025	28%	0.282	C	S	.	.			trans	-61.3	155.1	164.2	-175.4	0	0	0	0	111.3	D123 L124 V129 F162 D198 W202	T121-D123 HydrophobicContact CG2-CB 4.46Å; T121-D123 PolarHBondContact OG1-N 3.46Å; T121-L124 HydrophobicContact CG2-CB 4.27Å; T121-V129 HydrophobicContact CG2-CG2 3.99Å; T121-F162 HydrophobicContact CG2-CD1 4.19Å; T121-F162 HydrophobicContact CG2-CE1 3.87Å; T121-F162 HydrophobicContact CG2-CZ 4.21Å; T121-D198 WeakPolarHBondContact CA-OD1 3.3Å; T121-D198 WeakPolarHBondContact CB-OD1 3.39Å; T121-D198 PolarHBondContact OG1-OD1 3.44Å; T121-W202 HydrophobicContact CG2-CB 4.28Å; T121-W202 HydrophobicContact CG2-CG 4.47Å
122	L	97.4	Very high	97.6	Very high	165 Å²	165	51.6 Å²	51.6	86%	0.864	26%	0.263	S	S	*	.	S	Bend	trans	-88.9	-10.4	174.8	-64	-179.7	0	0	0	113.3	L124	L122-L124 VanDerWaalsContact C-N 3.31Å; L122-L124 PolarHBondContact O-N 3.31Å
123	D	97.4	Very high	97.7	Very high	74 Å²	74	47.4 Å²	47.4	40%	0.396	24%	0.244	S	C	.	.	S	Bend	trans	-71.9	-28.8	-177.9	-63.6	-17	0	0	0	112.5	T121 W202	T121-D123 HydrophobicContact CG2-CB 4.46Å; T121-D123 PolarHBondContact OG1-N 3.46Å; D123-W202 HydrophobicContact CB-CB 4.19Å; D123-W202 PolarHBondContact OD2-N 3.01Å
124	L	97.6	Very high	97.7	Very high	20 Å²	20	52.5 Å²	52.5	11%	0.105	27%	0.268	C	S	.	.	S	Bend	trans	-123.4	143.5	-176.1	-69.1	177	0	0	0	111.9	T121 L122 A128 V129 W202 E204 L211	T121-L124 HydrophobicContact CG2-CB 4.27Å; L122-L124 VanDerWaalsContact C-N 3.31Å; L122-L124 PolarHBondContact O-N 3.31Å; L124-A128 HydrophobicContact CB-CB 4.32Å; L124-V129 HydrophobicContact CB-CG2 3.79Å; L124-V129 HydrophobicContact CD1-CG2 4.44Å; L124-W202 HydrophobicContact CD1-CB 4.14Å; L124-W202 HydrophobicContact CG-CB 4.46Å; L124-W202 WeakPolarHBondContact CG-O 3.33Å; L124-E204 HydrophobicContact CD1-CG 4.49Å; L124-E204 HydrophobicContact CD2-CG 3.96Å; L124-L211 HydrophobicContact CD1-CB 4.22Å; L124-L211 HydrophobicContact CD1-CD2 4Å
125	P	98	Very high	97.6	Very high	76 Å²	76	56.6 Å²	56.6	49%	0.494	28%	0.284	S	S	.	.			trans	-53.8	147.2	164.4	-25.8	36	0	0	0	111.9	D127 A128 V129	P125-D127 WeakPolarHBondContact CB-OD1 3.41Å; P125-D127 PolarHBondContact O-N 3.4Å; P125-A128 HydrophobicContact CB-CB 4.33Å; P125-A128 WeakPolarHBondContact O-CB 3.18Å; P125-A128 PolarHBondContact O-N 3.41Å; P125-V129 PolarHBondContact O-N 2.76Å; P125-V129 VanDerWaalsContact O-N 3.07Å
126	R	97.8	Very high	97.5	Very high	168 Å²	168	55.8 Å²	55.8	63%	0.634	28%	0.281	S	S	*	.	H	α-helix	trans	-59.8	-35	-177	-68.3	-170	173	-151.9	-3.2	113.4	Y120 V129 D130	Y120-R126 HydrophobicContact CD1-CB 3.94Å; Y120-R126 HydrophobicContact CD1-CG 3.75Å; Y120-R126 HydrophobicContact CD2-CG 4.3Å; Y120-R126 HydrophobicContact CE1-CB 3.9Å; Y120-R126 HydrophobicContact CE1-CG 4.11Å; Y120-R126 HydrophobicContact CG-CG 3.86Å; R126-V129 PolarHBondContact O-N 2.97Å; R126-D130 WeakPolarHBondContact O-CB 3.32Å; R126-D130 PolarHBondContact O-N 2.81Å
127	D	97.3	Very high	97.5	Very high	118 Å²	118	53.1 Å²	53.1	63%	0.631	27%	0.271	S	S	*	.	H	α-helix	trans	-68.1	-34.1	175.8	57.7	-44.6	0	0	0	112.5	P125 S131	P125-D127 WeakPolarHBondContact CB-OD1 3.41Å; P125-D127 PolarHBondContact O-N 3.4Å; D127-S131 WeakPolarHBondContact O-CB 3.34Å; D127-S131 PolarHBondContact O-N 2.73Å
128	A	97.6	Very high	97.3	Very high	5 Å²	5	56.7 Å²	56.7	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-66.4	-44.4	172	0	0	0	0	0	111.5	L124 P125 S131 A132 E204	L124-A128 HydrophobicContact CB-CB 4.32Å; P125-A128 HydrophobicContact CB-CB 4.33Å; P125-A128 WeakPolarHBondContact O-CB 3.18Å; P125-A128 PolarHBondContact O-N 3.41Å; A128-S131 PolarHBondContact O-N 2.76Å; A128-A132 WeakPolarHBondContact O-CB 3.35Å; A128-A132 PolarHBondContact O-N 2.99Å; A128-E204 HydrophobicContact CB-CG 4.05Å; A128-E204 WeakPolarHBondContact CB-OE2 3.49Å
129	V	98.5	Very high	97.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-49	173.5	174	0	0	0	0	110.9	Y120 T121 L124 P125 R126 S131 A132 I133 F162 L211	Y120-V129 HydrophobicContact CD1-CB 3.66Å; Y120-V129 HydrophobicContact CD1-CG1 3.58Å; Y120-V129 HydrophobicContact CD1-CG2 4.03Å; Y120-V129 HydrophobicContact CE1-CB 3.83Å; Y120-V129 HydrophobicContact CE1-CG1 3.67Å; T121-V129 HydrophobicContact CG2-CG2 3.99Å; L124-V129 HydrophobicContact CB-CG2 3.79Å; L124-V129 HydrophobicContact CD1-CG2 4.44Å; P125-V129 PolarHBondContact O-N 2.76Å; P125-V129 VanDerWaalsContact O-N 3.07Å; R126-V129 PolarHBondContact O-N 2.97Å; V129-S131 VanDerWaalsContact C-N 3.31Å; V129-S131 PolarHBondContact O-N 2.7Å; V129-A132 PolarHBondContact O-N 3.11Å; V129-I133 HydrophobicContact CG1-CG1 4.45Å; V129-I133 WeakPolarHBondContact O-CG1 3.45Å; V129-I133 PolarHBondContact O-N 3.32Å; V129-F162 HydrophobicContact CG1-CE2 4.04Å; V129-F162 HydrophobicContact CG1-CZ 4.01Å; V129-L211 HydrophobicContact CB-CD2 4.23Å; V129-L211 HydrophobicContact CG1-CD2 4.07Å; V129-L211 HydrophobicContact CG2-CD2 3.99Å
130	D	97.9	Very high	97.3	Very high	36 Å²	36	51.3 Å²	51.3	19%	0.193	26%	0.256	C	S	.	.	H	α-helix	trans	-56.9	-45.1	178.4	-75.3	-7.6	0	0	0	111.7	I117 Y120 R126 I133 E134 R150	I117-D130 VanDerWaalsContact CD1-OD1 3.24Å; I117-D130 WeakPolarHBondContact CD1-OD1 3.35Å; Y120-D130 VanDerWaalsContact CE1-OD1 3.22Å; Y120-D130 WeakPolarHBondContact CE1-OD1 3.44Å; Y120-D130 VanDerWaalsContact CZ-OD1 3.31Å; Y120-D130 PolarHBondContact OH-OD1 3.14Å; R126-D130 WeakPolarHBondContact O-CB 3.32Å; R126-D130 PolarHBondContact O-N 2.81Å; D130-I133 PolarHBondContact O-N 2.84Å; D130-E134 WeakPolarHBondContact O-CB 3.11Å; D130-E134 PolarHBondContact O-N 2.82Å; D130-R150 VanDerWaalsContact CG-NH2 3.3Å; D130-R150 IonicContact OD1-CZ 2.71Å; D130-R150 IonicContact OD1-NH1 3.69Å; D130-R150 PolarHBondContact OD1-NH1 3.06Å; D130-R150 IonicContact OD1-NH2 3.61Å; D130-R150 PolarHBondContact OD1-NH2 3.06Å; D130-R150 IonicContact OD2-CZ 3.83Å; D130-R150 IonicContact OD2-NH1 3.07Å; D130-R150 PolarHBondContact OD2-NH1 2.85Å; D130-R150 IonicContact OD2-NH2 3.61Å; D130-R150 PolarHBondContact OD2-NH2 2.95Å
131	S	97.3	Very high	97.1	Very high	40 Å²	40	51.8 Å²	51.8	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-64.1	-41.1	177.1	-178.6	0	0	0	0	112.3	D127 A128 V129 E134 K135	D127-S131 WeakPolarHBondContact O-CB 3.34Å; D127-S131 PolarHBondContact O-N 2.73Å; A128-S131 PolarHBondContact O-N 2.76Å; V129-S131 VanDerWaalsContact C-N 3.31Å; V129-S131 PolarHBondContact O-N 2.7Å; S131-E134 PolarHBondContact O-N 2.94Å; S131-K135 WeakPolarHBondContact O-CB 3.4Å; S131-K135 VanDerWaalsContact O-CG 3.22Å; S131-K135 WeakPolarHBondContact O-CG 3.15Å; S131-K135 PolarHBondContact O-N 3.33Å; S131-K135 WeakPolarHBondContact OG-CE 3.06Å
132	A	97.6	Very high	97	Very high	8 Å²	8	58.4 Å²	58.4	7%	0.066	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-46.5	177.4	0	0	0	0	0	111.6	A128 V129 K135 A136 L211 F212	A128-A132 WeakPolarHBondContact O-CB 3.35Å; A128-A132 PolarHBondContact O-N 2.99Å; V129-A132 PolarHBondContact O-N 3.11Å; A132-K135 PolarHBondContact O-N 3.19Å; A132-A136 WeakPolarHBondContact O-CB 3.15Å; A132-A136 PolarHBondContact O-N 2.86Å; A132-L211 HydrophobicContact CB-CB 4.24Å; A132-L211 HydrophobicContact CB-CD2 3.97Å; A132-L211 HydrophobicContact CB-CG 3.99Å; A132-F212 HydrophobicContact CB-CB 4.21Å
133	I	98.4	Very high	96.8	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-42.4	177.5	-60.8	-53.4	0	0	0	111.1	Y115 I117 V129 D130 K135 A136 V137 I160 F196 A215	Y115-I133 HydrophobicContact CD2-CG2 3.98Å; Y115-I133 HydrophobicContact CE2-CG2 3.6Å; I117-I133 HydrophobicContact CD1-CB 4.21Å; I117-I133 HydrophobicContact CD1-CG1 4.05Å; I117-I133 HydrophobicContact CD1-CG2 4.38Å; I117-I133 HydrophobicContact CG1-CG1 4.47Å; V129-I133 HydrophobicContact CG1-CG1 4.45Å; V129-I133 WeakPolarHBondContact O-CG1 3.45Å; V129-I133 PolarHBondContact O-N 3.32Å; D130-I133 PolarHBondContact O-N 2.84Å; I133-K135 PolarHBondContact O-N 2.77Å; I133-A136 PolarHBondContact O-N 2.8Å; I133-V137 WeakPolarHBondContact O-CG2 3.22Å; I133-V137 PolarHBondContact O-N 2.8Å; I133-I160 HydrophobicContact CD1-CD1 4.39Å; I133-I160 HydrophobicContact CD1-CG2 4.39Å; I133-I160 HydrophobicContact CG2-CD1 3.56Å; I133-F196 HydrophobicContact CD1-CE2 4.18Å; I133-F196 HydrophobicContact CD1-CZ 4.22Å; I133-A215 HydrophobicContact CD1-CB 3.62Å
134	E	97.3	Very high	96.7	Very high	107 Å²	107	48.5 Å²	48.5	50%	0.5	24%	0.239	S	C	.	.	H	α-helix	trans	-61.4	-44	177.1	-176.1	175.3	-166.5	0	0	111.7	D130 S131 A136 V137 K138	D130-E134 WeakPolarHBondContact O-CB 3.11Å; D130-E134 PolarHBondContact O-N 2.82Å; S131-E134 PolarHBondContact O-N 2.94Å; E134-A136 VanDerWaalsContact C-N 3.34Å; E134-A136 PolarHBondContact O-N 3.23Å; E134-V137 PolarHBondContact O-N 3.21Å; E134-K138 VanDerWaalsContact O-CG 3.3Å; E134-K138 WeakPolarHBondContact O-CG 3.48Å; E134-K138 PolarHBondContact O-N 2.88Å
135	K	95.6	Very high	96.6	Very high	108 Å²	108	49.3 Å²	49.3	47%	0.47	25%	0.245	S	C	.	.	H	α-helix	trans	-60.3	-44.1	174	-72.9	169.5	-173.5	169.4	0	111.6	S131 A132 I133 V137 K138 V139 F212	S131-K135 WeakPolarHBondContact O-CB 3.4Å; S131-K135 VanDerWaalsContact O-CG 3.22Å; S131-K135 WeakPolarHBondContact O-CG 3.15Å; S131-K135 PolarHBondContact O-N 3.33Å; S131-K135 WeakPolarHBondContact OG-CE 3.06Å; A132-K135 PolarHBondContact O-N 3.19Å; I133-K135 PolarHBondContact O-N 2.77Å; K135-V137 VanDerWaalsContact C-N 3.31Å; K135-V137 PolarHBondContact O-N 2.77Å; K135-K138 PolarHBondContact O-N 2.97Å; K135-K138 VanDerWaalsContact O-N 3.17Å; K135-V139 WeakPolarHBondContact O-CG2 3.48Å; K135-V139 PolarHBondContact O-N 2.81Å; K135-V139 VanDerWaalsContact O-N 3.11Å; K135-F212 HydrophobicContact CB-CD2 3.47Å; K135-F212 VanDerWaalsContact CB-CD2 3.47Å; K135-F212 HydrophobicContact CB-CE2 3.6Å; K135-F212 HydrophobicContact CB-CG 4.44Å
136	A	97.4	Very high	96.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-39.8	-180	0	0	0	0	0	112	A132 I133 E134 F212 A215 A216 L219	A132-A136 WeakPolarHBondContact O-CB 3.15Å; A132-A136 PolarHBondContact O-N 2.86Å; I133-A136 PolarHBondContact O-N 2.8Å; E134-A136 VanDerWaalsContact C-N 3.34Å; E134-A136 PolarHBondContact O-N 3.23Å; A136-F212 HydrophobicContact CB-CD2 4.15Å; A136-F212 HydrophobicContact CB-CE2 4.47Å; A136-A215 HydrophobicContact CB-CB 3.78Å; A136-A216 HydrophobicContact CB-CB 4Å; A136-L219 HydrophobicContact CB-CD1 3.73Å
137	V	97	Very high	96.5	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.036	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-45.6	172.1	167	0	0	0	0	111.6	Y115 I133 E134 K135 V139 W140 E141 F148 L219	Y115-V137 HydrophobicContact CD1-CG2 4.4Å; Y115-V137 HydrophobicContact CE1-CG2 4.28Å; I133-V137 WeakPolarHBondContact O-CG2 3.22Å; I133-V137 PolarHBondContact O-N 2.8Å; E134-V137 PolarHBondContact O-N 3.21Å; K135-V137 VanDerWaalsContact C-N 3.31Å; K135-V137 PolarHBondContact O-N 2.77Å; V137-V139 VanDerWaalsContact C-N 3.3Å; V137-V139 PolarHBondContact O-N 2.79Å; V137-W140 PolarHBondContact O-N 2.82Å; V137-E141 PolarHBondContact O-N 3.35Å; V137-E141 VanDerWaalsContact O-N 3.09Å; V137-F148 HydrophobicContact CG1-CB 3.43Å; V137-F148 VanDerWaalsContact CG1-CB 3.43Å; V137-F148 HydrophobicContact CG1-CD1 4.04Å; V137-F148 HydrophobicContact CG1-CD2 3.36Å; V137-F148 HydrophobicContact CG1-CE2 4.06Å; V137-F148 HydrophobicContact CG1-CG 3.34Å; V137-L219 HydrophobicContact CB-CD1 4.47Å; V137-L219 HydrophobicContact CG2-CD1 3.7Å
138	K	94.9	Very high	96.6	Very high	88 Å²	88	36 Å²	36	38%	0.383	18%	0.183	S	C	.	.	H	α-helix	trans	-60.2	-38.4	-178.2	-75	-71.1	171.5	-156.5	0	113.2	E134 K135 W140 E141 E142	E134-K138 VanDerWaalsContact O-CG 3.3Å; E134-K138 WeakPolarHBondContact O-CG 3.48Å; E134-K138 PolarHBondContact O-N 2.88Å; K135-K138 PolarHBondContact O-N 2.97Å; K135-K138 VanDerWaalsContact O-N 3.17Å; K138-W140 PolarHBondContact O-N 2.71Å; K138-E141 WeakPolarHBondContact CD-OE2 3.32Å; K138-E141 WeakPolarHBondContact CE-OE2 3.39Å; K138-E141 IonicContact NZ-OE1 3.31Å; K138-E141 IonicContact NZ-OE2 2.74Å; K138-E141 PolarHBondContact NZ-OE2 3.25Å; K138-E141 PolarHBondContact O-N 2.78Å; K138-E142 WeakPolarHBondContact O-CG 3.5Å; K138-E142 PolarHBondContact O-N 3.15Å
139	V	94.6	Very high	96.6	Very high	19 Å²	19	37.6 Å²	37.6	12%	0.115	19%	0.194	C	C	.	.	H	α-helix	trans	-52.3	-41	177	167.2	0	0	0	0	111.9	K135 V137 F212 F248 L250	K135-V139 WeakPolarHBondContact O-CG2 3.48Å; K135-V139 PolarHBondContact O-N 2.81Å; K135-V139 VanDerWaalsContact O-N 3.11Å; V137-V139 VanDerWaalsContact C-N 3.3Å; V137-V139 PolarHBondContact O-N 2.79Å; V139-F212 HydrophobicContact CG2-CE2 3.79Å; V139-F212 HydrophobicContact CG2-CZ 3.8Å; V139-F248 HydrophobicContact CG1-CE1 3.95Å; V139-F248 HydrophobicContact CG2-CD1 4.23Å; V139-F248 HydrophobicContact CG2-CE1 3.98Å; V139-L250 HydrophobicContact CG1-CD1 3.73Å; V139-L250 HydrophobicContact CG1-CD2 3.46Å; V139-L250 VanDerWaalsContact CG1-CD2 3.46Å; V139-L250 HydrophobicContact CG1-CG 3.43Å; V139-L250 VanDerWaalsContact CG1-CG 3.43Å; V139-L250 WeakPolarHBondContact O-CD1 3.34Å
140	W	96.9	Very high	96.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-83.8	-37	179.2	-63.1	113.5	0	0	0	113	V137 K138 E142 V143 T144 A216 L223 L225 L234 M235 L250 D254 I258	V137-W140 PolarHBondContact O-N 2.82Å; K138-W140 PolarHBondContact O-N 2.71Å; W140-E142 VanDerWaalsContact C-N 3.32Å; W140-E142 PolarHBondContact O-N 2.63Å; W140-V143 PolarHBondContact O-N 3.24Å; W140-T144 WeakPolarHBondContact O-CB 3.34Å; W140-T144 WeakPolarHBondContact O-CG2 3.28Å; W140-T144 PolarHBondContact O-N 3.4Å; W140-T144 PolarHBondContact O-OG1 2.91Å; W140-A216 PolarHBondContact NE1-O 3.37Å; W140-L223 HydrophobicContact CB-CD1 3.72Å; W140-L223 HydrophobicContact CD2-CD1 4.19Å; W140-L223 HydrophobicContact CG-CD1 3.66Å; W140-L225 HydrophobicContact CH2-CD1 3.27Å; W140-L225 HydrophobicContact CZ2-CD1 4.04Å; W140-L225 HydrophobicContact CZ3-CD1 3.56Å; W140-L234 HydrophobicContact CH2-CD2 4.29Å; W140-L234 HydrophobicContact CZ2-CD2 3.7Å; W140-M235 HydrophobicContact CH2-CG 4.35Å; W140-M235 HydrophobicContact CH2-SD 4.28Å; W140-M235 HydrophobicContact CZ2-SD 4.1Å; W140-L250 HydrophobicContact CD2-CD1 4.41Å; W140-L250 HydrophobicContact CE3-CD1 3.7Å; W140-L250 HydrophobicContact CE3-CD2 4.46Å; W140-L250 HydrophobicContact CH2-CD1 4.44Å; W140-L250 HydrophobicContact CH2-CD2 3.87Å; W140-L250 HydrophobicContact CZ2-CD2 4.23Å; W140-L250 HydrophobicContact CZ3-CD1 3.71Å; W140-L250 HydrophobicContact CZ3-CD2 3.99Å; W140-D254 HydrophobicContact CH2-CB 4.12Å; W140-D254 HydrophobicContact CZ3-CB 4.25Å; W140-I258 HydrophobicContact CE3-CB 3.86Å; W140-I258 HydrophobicContact CE3-CD1 4.09Å; W140-I258 HydrophobicContact CE3-CG1 3.71Å; W140-I258 HydrophobicContact CE3-CG2 3.93Å; W140-I258 HydrophobicContact CZ3-CB 3.73Å; W140-I258 HydrophobicContact CZ3-CD1 4.35Å; W140-I258 HydrophobicContact CZ3-CG1 4.06Å; W140-I258 HydrophobicContact CZ3-CG2 3.91Å
141	E	95.3	Very high	96.4	Very high	44 Å²	44	41.1 Å²	41.1	21%	0.206	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-37.6	175.8	176.3	166.1	-146.7	0	0	112	V137 K138 V143 T144 L146 F148	V137-E141 PolarHBondContact O-N 3.35Å; V137-E141 VanDerWaalsContact O-N 3.09Å; K138-E141 WeakPolarHBondContact CD-OE2 3.32Å; K138-E141 WeakPolarHBondContact CE-OE2 3.39Å; K138-E141 IonicContact NZ-OE1 3.31Å; K138-E141 IonicContact NZ-OE2 2.74Å; K138-E141 PolarHBondContact NZ-OE2 3.25Å; K138-E141 PolarHBondContact O-N 2.78Å; E141-V143 PolarHBondContact O-N 3Å; E141-T144 PolarHBondContact O-N 3.26Å; E141-L146 WeakPolarHBondContact CG-O 3.23Å; E141-F148 HydrophobicContact CB-CD2 4.32Å; E141-F148 HydrophobicContact CB-CE2 4.35Å
142	E	94.4	Very high	96.3	Very high	144 Å²	144	47.4 Å²	47.4	67%	0.673	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.1	179.5	-78.6	179.2	-173.4	0	0	114	K138 W140	K138-E142 WeakPolarHBondContact O-CG 3.5Å; K138-E142 PolarHBondContact O-N 3.15Å; W140-E142 VanDerWaalsContact C-N 3.32Å; W140-E142 PolarHBondContact O-N 2.63Å
143	V	93.6	Very high	96	Very high	27 Å²	27	54.9 Å²	54.9	16%	0.164	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	9.6	-174.1	-57.3	0	0	0	0	113.4	W140 E141 L250 V255 I258 Q259 P265	W140-V143 PolarHBondContact O-N 3.24Å; E141-V143 PolarHBondContact O-N 3Å; V143-L250 HydrophobicContact CG1-CD1 4.34Å; V143-L250 HydrophobicContact CG2-CD1 3.55Å; V143-V255 HydrophobicContact CG1-CG2 4.22Å; V143-I258 HydrophobicContact CG2-CG2 3.77Å; V143-Q259 VanDerWaalsContact O-CG 3.24Å; V143-Q259 WeakPolarHBondContact O-CG 3.36Å; V143-Q259 PolarHBondContact O-NE2 2.62Å; V143-P265 WeakPolarHBondContact O-CD 3.43Å
144	T	95.4	Very high	95.7	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.018	29%	0.285	C	S	.	.	S	Bend	trans	-141	170.1	-179.1	64.6	0	0	0	0	111.8	W140 E141 L146 I258	W140-T144 WeakPolarHBondContact O-CB 3.34Å; W140-T144 WeakPolarHBondContact O-CG2 3.28Å; W140-T144 PolarHBondContact O-N 3.4Å; W140-T144 PolarHBondContact O-OG1 2.91Å; E141-T144 PolarHBondContact O-N 3.26Å; T144-L146 PolarHBondContact O-N 2.93Å; T144-L146 VanDerWaalsContact OG1-CB 3.3Å; T144-L146 WeakPolarHBondContact OG1-CB 3.43Å; T144-L146 PolarHBondContact OG1-N 3.41Å; T144-I258 HydrophobicContact CG2-CB 4.22Å; T144-I258 HydrophobicContact CG2-CG1 3.5Å; T144-I258 HydrophobicContact CG2-CG2 3.75Å
145	P	96.1	Very high	95.3	Very high	38 Å²	38	59 Å²	59	25%	0.247	29%	0.294	C	S	.	.	S	Bend	trans	-81.6	7.8	166	33.7	-37	0	0	0	113.1	T111 Y262 G263	T111-P145 HydrophobicContact CG2-CG 4.47Å; P145-Y262 VanDerWaalsContact CD-O 3.3Å; P145-Y262 WeakPolarHBondContact CD-O 3.39Å; P145-Y262 WeakPolarHBondContact CG-O 3.25Å; P145-G263 WeakPolarHBondContact CD-O 3.34Å
146	L	96.6	Very high	95.2	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	28%	0.275	C	S	.	.			trans	-69.3	144.4	178.8	-64.5	177.4	0	0	0	110.2	T111 L113 E141 T144 F148 L223 Y262	T111-L146 HydrophobicContact CG2-CD2 4.35Å; T111-L146 CarbonylContact O-C 3.58Å; T111-L146 VanDerWaalsContact O-CA 3.26Å; T111-L146 WeakPolarHBondContact O-CA 3.3Å; L113-L146 HydrophobicContact CD1-CD2 4.41Å; E141-L146 WeakPolarHBondContact CG-O 3.23Å; T144-L146 PolarHBondContact O-N 2.93Å; T144-L146 VanDerWaalsContact OG1-CB 3.3Å; T144-L146 WeakPolarHBondContact OG1-CB 3.43Å; T144-L146 PolarHBondContact OG1-N 3.41Å; L146-F148 HydrophobicContact CB-CE2 3.71Å; L146-F148 HydrophobicContact CB-CZ 4.08Å; L146-F148 HydrophobicContact CD1-CE2 4.45Å; L146-F148 HydrophobicContact CD1-CZ 4.07Å; L146-L223 HydrophobicContact CD1-CD1 3.96Å; L146-L223 HydrophobicContact CD1-CD2 3.65Å; L146-L223 HydrophobicContact CD1-CG 4.35Å; L146-Y262 HydrophobicContact CD1-CD1 4.15Å; L146-Y262 HydrophobicContact CD1-CD2 3.74Å; L146-Y262 HydrophobicContact CD1-CE1 4.27Å; L146-Y262 HydrophobicContact CD1-CE2 3.89Å; L146-Y262 HydrophobicContact CD1-CG 3.87Å; L146-Y262 HydrophobicContact CD2-CD1 3.49Å; L146-Y262 VanDerWaalsContact CD2-CD1 3.49Å; L146-Y262 HydrophobicContact CD2-CE1 3.77Å; L146-Y262 HydrophobicContact CD2-CG 3.93Å; L146-Y262 HydrophobicContact CG-CD1 4Å; L146-Y262 HydrophobicContact CG-CD2 4.28Å; L146-Y262 HydrophobicContact CG-CE1 4.46Å; L146-Y262 HydrophobicContact CG-CG 3.9Å
147	T	97.3	Very high	95	Very high	55 Å²	55	55.6 Å²	55.6	34%	0.337	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.6	172.1	55.3	0	0	0	0	108.3	T111 H112 L113	T111-T147 PolarHBondContact O-N 3.02Å; H112-T147 CarbonylContact C-O 3.55Å; H112-T147 WeakPolarHBondContact CA-O 3.14Å; H112-T147 PolarHBondContact ND1-OG1 3.02Å; L113-T147 PolarHBondContact N-O 3.4Å
148	F	98.1	Very high	95	Very high	25 Å²	25	55.3 Å²	55.3	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.5	-174.1	-62.5	-99.2	0	0	0	110.9	L113 Y115 V137 E141 L146 I158 L223	L113-F148 HydrophobicContact CB-CD1 3.82Å; L113-F148 HydrophobicContact CB-CE1 3.92Å; L113-F148 HydrophobicContact CD1-CD1 4.48Å; L113-F148 HydrophobicContact CD1-CE1 3.72Å; L113-F148 HydrophobicContact CD1-CZ 4.15Å; L113-F148 HydrophobicContact CG-CE1 4.37Å; L113-F148 CarbonylContact O-C 3.58Å; L113-F148 VanDerWaalsContact O-CA 3.24Å; L113-F148 WeakPolarHBondContact O-CA 3.27Å; Y115-F148 HydrophobicContact CD1-CB 4.26Å; Y115-F148 HydrophobicContact CE1-CB 4.39Å; V137-F148 HydrophobicContact CG1-CB 3.43Å; V137-F148 VanDerWaalsContact CG1-CB 3.43Å; V137-F148 HydrophobicContact CG1-CD1 4.04Å; V137-F148 HydrophobicContact CG1-CD2 3.36Å; V137-F148 HydrophobicContact CG1-CE2 4.06Å; V137-F148 HydrophobicContact CG1-CG 3.34Å; E141-F148 HydrophobicContact CB-CD2 4.32Å; E141-F148 HydrophobicContact CB-CE2 4.35Å; L146-F148 HydrophobicContact CB-CE2 3.71Å; L146-F148 HydrophobicContact CB-CZ 4.08Å; L146-F148 HydrophobicContact CD1-CE2 4.45Å; L146-F148 HydrophobicContact CD1-CZ 4.07Å; F148-I158 HydrophobicContact CE1-CD1 4.34Å; F148-L223 HydrophobicContact CE1-CD2 4.12Å; F148-L223 HydrophobicContact CZ-CD1 4.12Å; F148-L223 HydrophobicContact CZ-CD2 3.91Å
149	S	97.6	Very high	95.1	Very high	38 Å²	38	52.7 Å²	52.7	27%	0.266	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136	169.5	58.1	0	0	0	0	110.8	H112 L113 T114 Y115	H112-S149 PolarHBondContact NE2-OG 3.08Å; L113-S149 PolarHBondContact O-N 2.99Å; T114-S149 CarbonylContact C-O 3.48Å; T114-S149 VanDerWaalsContact CA-O 3.23Å; T114-S149 WeakPolarHBondContact CA-O 3.39Å; T114-S149 WeakPolarHBondContact CG2-OG 3.4Å; Y115-S149 PolarHBondContact N-O 3.21Å
150	R	97.9	Very high	95.3	Very high	55 Å²	55	51.8 Å²	51.8	21%	0.208	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.8	176.2	-173.3	173.8	172.2	-168.7	-2.1	110.3	Y115 Y120 D130	Y115-R150 HydrophobicContact CD1-CB 4.48Å; Y115-R150 HydrophobicContact CD2-CG 4.45Å; Y115-R150 HydrophobicContact CE1-CB 3.83Å; Y115-R150 HydrophobicContact CE1-CG 4.49Å; Y115-R150 HydrophobicContact CE2-CB 4.15Å; Y115-R150 HydrophobicContact CE2-CG 3.92Å; Y115-R150 CarbonylContact O-C 3.49Å; Y115-R150 WeakPolarHBondContact O-CA 3.32Å; Y120-R150 PolarHBondContact OH-NH2 3.4Å; D130-R150 VanDerWaalsContact CG-NH2 3.3Å; D130-R150 IonicContact OD1-CZ 2.71Å; D130-R150 IonicContact OD1-NH1 3.69Å; D130-R150 PolarHBondContact OD1-NH1 3.06Å; D130-R150 IonicContact OD1-NH2 3.61Å; D130-R150 PolarHBondContact OD1-NH2 3.06Å; D130-R150 IonicContact OD2-CZ 3.83Å; D130-R150 IonicContact OD2-NH1 3.07Å; D130-R150 PolarHBondContact OD2-NH1 2.85Å; D130-R150 IonicContact OD2-NH2 3.61Å; D130-R150 PolarHBondContact OD2-NH2 2.95Å
151	L	96.2	Very high	95.3	Very high	56 Å²	56	52.9 Å²	52.9	29%	0.293	27%	0.271	S	S	.	.			trans	-100.9	147.5	166.8	-58.9	-176.9	0	0	0	110.3	T114 Y115 R116 A156	T114-L151 HydrophobicContact CG2-CD1 3.84Å; T114-L151 HydrophobicContact CG2-CD2 4.17Å; T114-L151 HydrophobicContact CG2-CG 3.93Å; Y115-L151 PolarHBondContact O-N 2.97Å; R116-L151 HydrophobicContact CB-CB 4.47Å; R116-L151 WeakPolarHBondContact CG-O 3.06Å; L151-A156 HydrophobicContact CD1-CB 4.06Å
152	Y	94.3	Very high	95.4	Very high	171 Å²	171	51 Å²	51	67%	0.671	26%	0.262	S	S	*	.	S	Bend	trans	-107.4	-16.2	177.7	-63.4	-83.9	0	0	0	112.6
153	E	90.9	Very high	95.3	Very high	166 Å²	166	45 Å²	45	78%	0.776	24%	0.238	S	C	*	.	S	Bend	trans	-143.4	163.6	178.8	62.4	-179.4	-174.6	0	0	110.4
154	G	91.9	Very high	95.2	Very high	49 Å²	49	47 Å²	47	51%	0.505	25%	0.25	S	S	.	.	S	Bend	trans	74.5	-167.2	-179.2	0	0	0	0	0	114.3	R116	R116-G154 WeakPolarHBondContact CD-O 3.08Å; R116-G154 PolarHBondContact NH1-O 3.34Å
155	E	89.6	Confident	94.8	Very high	146 Å²	146	52.7 Å²	52.7	68%	0.682	27%	0.274	S	S	*	.			trans	-96.5	132.6	179.8	-168.2	176.7	170.1	0	0	109.5
156	A	93.6	Very high	94.2	Very high	9 Å²	9	56.1 Å²	56.1	7%	0.074	29%	0.287	C	S	.	.			trans	-108.2	170.5	176.2	0	0	0	0	0	110.1	T114 R116 L151 I158 M159	T114-A156 WeakPolarHBondContact OG1-CA 3.2Å; R116-A156 HydrophobicContact CB-CB 3.72Å; L151-A156 HydrophobicContact CD1-CB 4.06Å; A156-I158 VanDerWaalsContact C-N 3.26Å; A156-M159 HydrophobicContact CB-SD 3.86Å; A156-M159 PolarHBondContact N-SD 3.23Å; A156-M159 VanDerWaalsContact N-SD 3.37Å
157	D	92.7	Very high	93.6	Very high	27 Å²	27	58 Å²	58	14%	0.144	30%	0.296	C	S	.	.	S	Bend	trans	-68.1	-31	173.2	-59.5	-54	0	0	0	112.4	W108 K110 L113 T114	W108-D157 HydrophobicContact CH2-CB 3.93Å; W108-D157 WeakPolarHBondContact CH2-O 3.35Å; W108-D157 HydrophobicContact CZ2-CB 4.16Å; W108-D157 WeakPolarHBondContact CZ2-O 3.27Å; W108-D157 HydrophobicContact CZ3-CB 4.19Å; K110-D157 WeakPolarHBondContact CE-OD1 3.37Å; K110-D157 WeakPolarHBondContact CE-OD2 3.31Å; K110-D157 IonicContact NZ-OD1 3.9Å; K110-D157 PolarHBondContact NZ-OD1 2.79Å; K110-D157 IonicContact NZ-OD2 2.78Å; K110-D157 PolarHBondContact NZ-OD2 2.77Å; L113-D157 WeakPolarHBondContact CA-OD2 3.47Å; L113-D157 HydrophobicContact CD2-CB 4.29Å; T114-D157 PolarHBondContact N-OD2 3.14Å; T114-D157 WeakPolarHBondContact O-CB 3.23Å; T114-D157 PolarHBondContact O-N 2.87Å; T114-D157 PolarHBondContact OG1-N 3.37Å; T114-D157 PolarHBondContact OG1-OD2 3.33Å
158	I	98	Very high	92.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	105.7	-179.7	-61.7	168.6	0	0	0	107.8	W108 T114 Y115 R116 F148 A156 I160 G192 I194 L219	W108-I158 HydrophobicContact CZ2-CG1 4.18Å; T114-I158 PolarHBondContact O-N 2.95Å; Y115-I158 CarbonylContact C-O 3.56Å; Y115-I158 VanDerWaalsContact CA-O 3.22Å; Y115-I158 WeakPolarHBondContact CA-O 3.33Å; R116-I158 PolarHBondContact N-O 2.84Å; F148-I158 HydrophobicContact CE1-CD1 4.34Å; A156-I158 VanDerWaalsContact C-N 3.26Å; I158-I160 HydrophobicContact CG2-CD1 4.43Å; I158-I160 HydrophobicContact CG2-CG1 3.98Å; I158-G192 WeakPolarHBondContact CG2-O 3.29Å; I158-I194 HydrophobicContact CG2-CD1 4.01Å; I158-I194 HydrophobicContact CG2-CG1 4.1Å; I158-L219 HydrophobicContact CD1-CD2 4.05Å; I158-L219 HydrophobicContact CG2-CD2 4.42Å
159	M	96	Very high	90.8	Very high	33 Å²	33	57.5 Å²	57.5	16%	0.163	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.1	172	-53.5	-70	-78.7	0	0	109	R116 V118 A156 D193 I194	R116-M159 HydrophobicContact CB-SD 3.96Å; V118-M159 HydrophobicContact CG2-CB 4.1Å; V118-M159 HydrophobicContact CG2-CE 3.61Å; A156-M159 HydrophobicContact CB-SD 3.86Å; A156-M159 PolarHBondContact N-SD 3.23Å; A156-M159 VanDerWaalsContact N-SD 3.37Å; M159-D193 WeakPolarHBondContact CA-OD1 3.38Å; M159-D193 HydrophobicContact CB-CB 4.4Å; M159-D193 WeakPolarHBondContact CB-OD1 3.46Å; M159-D193 WeakPolarHBondContact CG-OD1 3.43Å; M159-D193 PolarHBondContact N-OD1 3.49Å; M159-D193 CarbonylContact O-C 3.5Å; M159-D193 VanDerWaalsContact O-CA 3.31Å; M159-D193 WeakPolarHBondContact O-CA 3.16Å; M159-D193 WeakPolarHBondContact O-CB 3.2Å; M159-I194 PolarHBondContact O-N 3.12Å
160	I	98.6	Very high	89.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.1	-177.5	-61.9	174.3	0	0	0	108.4	Y115 R116 I117 V118 I133 I158 I194 F196	Y115-I160 HydrophobicContact CD2-CD1 3.96Å; R116-I160 PolarHBondContact O-N 3.22Å; I117-I160 HydrophobicContact CG1-CB 4.44Å; V118-I160 WeakPolarHBondContact CB-O 3.36Å; V118-I160 PolarHBondContact N-O 3.03Å; I133-I160 HydrophobicContact CD1-CD1 4.39Å; I133-I160 HydrophobicContact CD1-CG2 4.39Å; I133-I160 HydrophobicContact CG2-CD1 3.56Å; I158-I160 HydrophobicContact CG2-CD1 4.43Å; I158-I160 HydrophobicContact CG2-CG1 3.98Å; I160-I194 WeakPolarHBondContact CA-O 3.12Å; I160-I194 HydrophobicContact CG1-CB 4.32Å; I160-I194 HydrophobicContact CG1-CD1 4.37Å; I160-F196 HydrophobicContact CG2-CD2 4.06Å; I160-F196 HydrophobicContact CG2-CE2 3.59Å
161	S	97.2	Very high	88.1	Confident	22 Å²	22	68.6 Å²	68.6	15%	0.154	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	158	178.5	68.7	0	0	0	0	113.4	N119 I194 H195 F196	N119-S161 WeakPolarHBondContact OD1-CA 3.48Å; N119-S161 VanDerWaalsContact OD1-CB 3.25Å; N119-S161 WeakPolarHBondContact OD1-CB 3.31Å; S161-I194 PolarHBondContact N-O 3.29Å; S161-H195 WeakPolarHBondContact O-CA 3.39Å; S161-H195 PolarHBondContact OG-CD2 3.02Å; S161-F196 PolarHBondContact O-N 2.95Å
162	F	97.6	Very high	87.4	Confident	4 Å²	4	69.1 Å²	69.1	2%	0.018	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.5	173	-63.9	-97.2	0	0	0	107.7	N119 T121 V129 F196 D198 L211	N119-F162 PolarHBondContact ND2-O 3.31Å; N119-F162 WeakPolarHBondContact O-CD2 3.32Å; N119-F162 PolarHBondContact OD1-N 3.12Å; T121-F162 HydrophobicContact CG2-CD1 4.19Å; T121-F162 HydrophobicContact CG2-CE1 3.87Å; T121-F162 HydrophobicContact CG2-CZ 4.21Å; V129-F162 HydrophobicContact CG1-CE2 4.04Å; V129-F162 HydrophobicContact CG1-CZ 4.01Å; F162-F196 WeakPolarHBondContact CA-O 3.43Å; F162-F196 HydrophobicContact CD1-CB 3.6Å; F162-F196 HydrophobicContact CD1-CD2 4.45Å; F162-F196 HydrophobicContact CD1-CG 4.31Å; F162-F196 HydrophobicContact CE1-CB 3.78Å; F162-F196 HydrophobicContact CE1-CD2 4.08Å; F162-F196 HydrophobicContact CE1-CG 4.02Å; F162-F196 HydrophobicContact CE2-CD2 4.49Å; F162-F196 HydrophobicContact CG-CB 4.3Å; F162-F196 HydrophobicContact CZ-CD2 4.1Å; F162-F196 HydrophobicContact CZ-CG 4.48Å; F162-D198 HydrophobicContact CB-CB 4.08Å; F162-L211 HydrophobicContact CE1-CD1 3.97Å; F162-L211 HydrophobicContact CE1-CD2 4.46Å; F162-L211 HydrophobicContact CZ-CD1 4.04Å; F162-L211 HydrophobicContact CZ-CD2 4.06Å
163	A	93	Very high	86.9	Confident	19 Å²	19	61.4 Å²	61.4	16%	0.157	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	163.4	-176.5	0	0	0	0	0	111.2	H167 F173 F196 D197 D198	A163-H167 HydrophobicContact CB-CB 3.4Å; A163-H167 VanDerWaalsContact CB-CB 3.4Å; A163-F173 WeakPolarHBondContact O-CD2 3.33Å; A163-F196 PolarHBondContact N-O 3.44Å; A163-D197 CarbonylContact O-C 3.58Å; A163-D197 WeakPolarHBondContact O-CA 3.04Å; A163-D198 PolarHBondContact O-N 2.93Å
164	V	90.8	Very high	86.5	Confident	69 Å²	69	56.6 Å²	56.6	42%	0.418	31%	0.307	S	S	.	.			trans	-118.8	139.3	178.4	-62.3	0	0	0	0	109.7	E166 D198	V164-E166 PolarHBondContact O-N 2.76Å; V164-D198 HydrophobicContact CG1-CB 3.85Å
165	K	86.8	Confident	86	Confident	122 Å²	122	54.5 Å²	54.5	53%	0.53	29%	0.286	S	S	.	.	S	Bend	trans	49.1	-124.4	171.7	-60	176.1	-175.7	169	0	112.6	H167 S172 F173	K165-H167 PolarHBondContact O-N 2.96Å; K165-H167 PolarHBondContact O-ND1 2.82Å; K165-S172 WeakPolarHBondContact O-CA 3.22Å; K165-F173 WeakPolarHBondContact CA-O 3.47Å; K165-F173 PolarHBondContact O-N 2.87Å
166	E	82.9	Confident	85.8	Confident	111 Å²	111	51.5 Å²	51.5	52%	0.519	28%	0.281	S	S	.	.			trans	-73.9	117	177.1	-179.1	58.3	-134.8	0	0	110.4	V164 G168 S172	V164-E166 PolarHBondContact O-N 2.76Å; E166-G168 PolarHBondContact OE1-N 3.03Å; E166-S172 VanDerWaalsContact CA-OG 3.29Å; E166-S172 WeakPolarHBondContact CA-OG 3.39Å; E166-S172 WeakPolarHBondContact CB-OG 3.44Å; E166-S172 PolarHBondContact N-OG 3.44Å; E166-S172 PolarHBondContact OE2-OG 2.54Å
167	H	83.7	Confident	84.8	Confident	40 Å²	40	52.3 Å²	52.3	19%	0.185	29%	0.29	C	S	.	.			trans	-131.3	23.2	-172	57.4	-86	0	0	0	114.2	A163 K165 D169 Y171 F173 H182 H195	A163-H167 HydrophobicContact CB-CB 3.4Å; A163-H167 VanDerWaalsContact CB-CB 3.4Å; K165-H167 PolarHBondContact O-N 2.96Å; K165-H167 PolarHBondContact O-ND1 2.82Å; H167-D169 IonicContact CD2-OD1 3.35Å; H167-D169 IonicContact CD2-OD2 3.94Å; H167-D169 IonicContact CE1-OD1 2.9Å; H167-D169 IonicContact NE2-OD1 2.99Å; H167-D169 IonicContact NE2-OD2 3.32Å; H167-D169 PolarHBondContact NE2-OD2 3.07Å; H167-Y171 PolarHBondContact CE1-O 3.11Å; H167-F173 AromaticContact CE1-CD2 3.47Å; H167-F173 VanDerWaalsContact CE1-CD2 3.47Å; H167-F173 WeakPolarHBondContact CE1-CD2 3.44Å; H167-F173 AromaticContact CE1-CE2 3.33Å; H167-F173 WeakPolarHBondContact CE1-CE2 3.45Å; H167-F173 AromaticContact CE1-CG 3.96Å; H167-F173 AromaticContact CE1-CZ 3.72Å; H167-F173 AromaticContact ND1-CD2 3.66Å; H167-F173 AromaticContact ND1-CE2 3.82Å; H167-F173 AromaticContact NE2-CE2 3.75Å; H167-F173 AromaticContact NE2-CZ 3.96Å; H167-H182 AromaticContact CE1-CE1 3.71Å; H167-H182 AromaticContact CE1-NE2 3.63Å; H167-H182 AromaticContact NE2-CE1 3.51Å; H167-H182 AromaticContact NE2-NE2 3.03Å; H167-H182 PolarHBondContact NE2-NE2 2.94Å; H167-H195 AromaticContact CD2-CG 3.81Å; H167-H195 AromaticContact CD2-ND1 3.33Å; H167-H195 PolarHBondContact CD2-ND1 3.48Å; H167-H195 VanDerWaalsContact CD2-ND1 3.33Å; H167-H195 AromaticContact NE2-CG 3.66Å; H167-H195 AromaticContact NE2-ND1 3.16Å; H167-H195 PolarHBondContact NE2-ND1 2.76Å; H167-H195 VanDerWaalsContact NE2-ND1 3.16Å
168	G	68.7	Low	84.3	Confident	63 Å²	63	54.8 Å²	54.8	65%	0.649	30%	0.301	S	S	*	.	S	Bend	trans	94.8	11.9	162.1	0	0	0	0	0	115.7	E166	E166-G168 PolarHBondContact OE1-N 3.03Å
169	D	68	Low	84	Confident	7 Å²	7	55.2 Å²	55.2	4%	0.037	30%	0.304	C	S	.	.	S	Bend	trans	-124.8	8.3	-177.6	74.9	-11.9	0	0	0	113.7	H167 Y171 H182 Y184 L190 H195	H167-D169 IonicContact CD2-OD1 3.35Å; H167-D169 IonicContact CD2-OD2 3.94Å; H167-D169 IonicContact CE1-OD1 2.9Å; H167-D169 IonicContact NE2-OD1 2.99Å; H167-D169 IonicContact NE2-OD2 3.32Å; H167-D169 PolarHBondContact NE2-OD2 3.07Å; D169-Y171 WeakPolarHBondContact O-CD2 3.21Å; D169-Y171 PolarHBondContact O-N 3.1Å; D169-Y171 PolarHBondContact OD1-N 3.45Å; D169-H182 IonicContact OD2-CE1 2.67Å; D169-H182 PolarHBondContact OD2-CE1 3.35Å; D169-H182 IonicContact OD2-NE2 3.74Å; D169-H182 PolarHBondContact OD2-NE2 2.78Å; D169-H182 VanDerWaalsContact OD2-NE2 3.17Å; D169-Y184 HydrophobicContact CB-CE2 4.29Å; D169-Y184 WeakPolarHBondContact CB-OH 3.25Å; D169-Y184 PolarHBondContact O-OH 3.43Å; D169-Y184 WeakPolarHBondContact OD2-CE2 3.34Å; D169-Y184 PolarHBondContact OD2-OH 2.89Å; D169-L190 HydrophobicContact CB-CD1 4.46Å; D169-H195 IonicContact OD2-CE1 2.81Å; D169-H195 PolarHBondContact OD2-CE1 3.2Å; D169-H195 VanDerWaalsContact OD2-CE1 3.25Å; D169-H195 IonicContact OD2-ND1 3.54Å; D169-H195 PolarHBondContact OD2-ND1 3.32Å
170	F	68.4	Low	84	Confident	189 Å²	189	53.8 Å²	53.8	83%	0.829	30%	0.297	S	S	*	.	S	Bend	trans	69.3	6.8	-178.5	-50.6	-83.4	0	0	0	115.7
171	Y	71.3	Confident	83.9	Confident	138 Å²	138	53.8 Å²	53.8	54%	0.541	30%	0.297	S	S	.	.			trans	-118	84.6	174	-70.7	-86	0	0	0	109.7	H167 D169 H182 Y184	H167-Y171 PolarHBondContact CE1-O 3.11Å; D169-Y171 WeakPolarHBondContact O-CD2 3.21Å; D169-Y171 PolarHBondContact O-N 3.1Å; D169-Y171 PolarHBondContact OD1-N 3.45Å; Y171-H182 WeakPolarHBondContact CB-CE1 3.1Å; Y171-H182 PolarHBondContact O-CE1 2.84Å; Y171-H182 VanDerWaalsContact O-CE1 3.29Å; Y171-Y184 HydrophobicContact CD2-CE1 4.37Å; Y171-Y184 VanDerWaalsContact CD2-OH 3.24Å; Y171-Y184 WeakPolarHBondContact CD2-OH 3.37Å; Y171-Y184 HydrophobicContact CE2-CE1 4.31Å
172	S	80.6	Confident	83.6	Confident	66 Å²	66	53.4 Å²	53.4	46%	0.462	29%	0.292	S	S	.	.			trans	-65.2	137.9	178.5	-81.7	0	0	0	0	112.8	K165 E166	K165-S172 WeakPolarHBondContact O-CA 3.22Å; E166-S172 VanDerWaalsContact CA-OG 3.29Å; E166-S172 WeakPolarHBondContact CA-OG 3.39Å; E166-S172 WeakPolarHBondContact CB-OG 3.44Å; E166-S172 PolarHBondContact N-OG 3.44Å; E166-S172 PolarHBondContact OE2-OG 2.54Å
173	F	85.2	Confident	83.3	Confident	10 Å²	10	53.6 Å²	53.6	4%	0.044	30%	0.295	C	S	.	.			trans	-70.9	158.2	163.6	-65.8	-51.6	0	0	0	112.3	A163 K165 H167 H182 H195 D197	A163-F173 WeakPolarHBondContact O-CD2 3.33Å; K165-F173 WeakPolarHBondContact CA-O 3.47Å; K165-F173 PolarHBondContact O-N 2.87Å; H167-F173 AromaticContact CE1-CD2 3.47Å; H167-F173 VanDerWaalsContact CE1-CD2 3.47Å; H167-F173 WeakPolarHBondContact CE1-CD2 3.44Å; H167-F173 AromaticContact CE1-CE2 3.33Å; H167-F173 WeakPolarHBondContact CE1-CE2 3.45Å; H167-F173 AromaticContact CE1-CG 3.96Å; H167-F173 AromaticContact CE1-CZ 3.72Å; H167-F173 AromaticContact ND1-CD2 3.66Å; H167-F173 AromaticContact ND1-CE2 3.82Å; H167-F173 AromaticContact NE2-CE2 3.75Å; H167-F173 AromaticContact NE2-CZ 3.96Å; F173-H182 AromaticContact CZ-NE2 3.95Å; F173-H195 HydrophobicContact CE2-CB 4.18Å; F173-H195 HydrophobicContact CZ-CB 3.86Å; F173-H195 WeakPolarHBondContact CZ-O 3.43Å; F173-D197 HydrophobicContact CB-CB 4.18Å; F173-D197 WeakPolarHBondContact CB-OD2 3.44Å; F173-D197 HydrophobicContact CD1-CB 3.94Å; F173-D197 HydrophobicContact CD2-CB 3.66Å; F173-D197 HydrophobicContact CE1-CB 4.24Å; F173-D197 HydrophobicContact CE2-CB 3.97Å; F173-D197 HydrophobicContact CG-CB 3.67Å; F173-D197 HydrophobicContact CZ-CB 4.25Å
174	D	81.4	Confident	82.9	Confident	64 Å²	64	54.3 Å²	54.3	34%	0.342	29%	0.294	S	S	.	.			trans	-99.8	-1.1	-177.5	50.6	6.9	0	0	0	114	H178 S179	D174-H178 WeakPolarHBondContact OD2-CB 3.46Å; D174-H178 IonicContact OD2-CG 2.69Å; D174-S179 VanDerWaalsContact OD1-CB 3.28Å; D174-S179 WeakPolarHBondContact OD1-CB 3.49Å; D174-S179 PolarHBondContact OD1-N 3.22Å
175	G	81.6	Confident	82.6	Confident	6 Å²	6	51.7 Å²	51.7	6%	0.062	28%	0.278	C	S	.	.			trans	80.3	-172.5	-173.6	0	0	0	0	0	111.4	G177 D197	G175-G177 PolarHBondContact O-N 2.82Å; G175-D197 WeakPolarHBondContact CA-OD2 3.22Å; G175-D197 PolarHBondContact N-OD2 3.25Å
176	S	84.8	Confident	82.6	Confident	83 Å²	83	46.6 Å²	46.6	58%	0.58	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	132.7	-166.1	-173.1	0	0	0	0	116.6	H178 D199	S176-H178 PolarHBondContact O-ND1 3.01Å; S176-D199 WeakPolarHBondContact CB-O 3.42Å
177	G	73.6	Confident	82.3	Confident	25 Å²	25	42.3 Å²	42.3	26%	0.258	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.8	-0.1	159.5	0	0	0	0	0	116.4	P89 G175 E200	P89-G177 WeakPolarHBondContact CG-O 3.5Å; G175-G177 PolarHBondContact O-N 2.82Å; G177-E200 VanDerWaalsContact N-CD 3.3Å; G177-E200 PolarHBondContact N-OE1 3.29Å; G177-E200 PolarHBondContact N-OE2 3.25Å; G177-E200 VanDerWaalsContact N-OE2 3.14Å
178	H	82.6	Confident	81.6	Confident	79 Å²	79	45.7 Å²	45.7	37%	0.366	27%	0.269	S	S	.	.	S	Bend	trans	-120.4	-79.4	-174.1	-64.5	83.8	0	0	0	111.7	P89 R90 D174 S176	P89-H178 CarbonylContact C-O 3.59Å; P89-H178 WeakPolarHBondContact CA-O 3.3Å; R90-H178 PolarHBondContact N-O 2.84Å; D174-H178 WeakPolarHBondContact OD2-CB 3.46Å; D174-H178 IonicContact OD2-CG 2.69Å; S176-H178 PolarHBondContact O-ND1 3.01Å
179	S	91.4	Very high	82.1	Confident	9 Å²	9	44.8 Å²	44.8	6%	0.063	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-94	100.5	178.8	-175.6	0	0	0	0	111	G92 D174	G92-S179 WeakPolarHBondContact CA-OG 3.41Å; D174-S179 VanDerWaalsContact OD1-CB 3.28Å; D174-S179 WeakPolarHBondContact OD1-CB 3.49Å; D174-S179 PolarHBondContact OD1-N 3.22Å
180	L	95.8	Very high	82.4	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.016	28%	0.28	C	S	.	.			trans	-71.5	-37.3	-172.5	-61.1	178.7	0	0	0	113.9	P89 R90 D197 E200 W202 T209 V214 Y239	P89-L180 HydrophobicContact CB-CD1 3.93Å; P89-L180 HydrophobicContact CB-CD2 3.82Å; P89-L180 HydrophobicContact CB-CG 3.92Å; R90-L180 PolarHBondContact O-N 2.76Å; L180-D197 PolarHBondContact O-N 3.26Å; L180-E200 HydrophobicContact CD2-CG 3.85Å; L180-W202 HydrophobicContact CB-CH2 4.45Å; L180-W202 WeakPolarHBondContact O-CZ2 3.49Å; L180-T209 HydrophobicContact CD1-CG2 3.87Å; L180-T209 HydrophobicContact CD2-CG2 3.96Å; L180-T209 HydrophobicContact CG-CG2 4.4Å; L180-V214 HydrophobicContact CB-CG1 4.35Å; L180-V214 HydrophobicContact CD1-CG2 4.04Å; L180-Y239 HydrophobicContact CD1-CD1 4.35Å; L180-Y239 HydrophobicContact CD1-CD2 4.02Å; L180-Y239 HydrophobicContact CD1-CG 3.73Å
181	A	96.4	Very high	82.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	168.9	-175.2	0	0	0	0	0	109.7	G92 H195 F196 V214 E218	G92-A181 WeakPolarHBondContact CA-O 3.45Å; G92-A181 PolarHBondContact N-O 3.37Å; A181-H195 CarbonylContact C-O 3.6Å; A181-H195 WeakPolarHBondContact CA-O 3.25Å; A181-H195 VanDerWaalsContact CB-O 3.27Å; A181-H195 WeakPolarHBondContact CB-O 3.28Å; A181-F196 HydrophobicContact CB-CD1 3.73Å; A181-F196 HydrophobicContact CB-CE1 4.22Å; A181-F196 HydrophobicContact CB-CG 4.44Å; A181-V214 HydrophobicContact CB-CG1 3.59Å; A181-E218 HydrophobicContact CB-CG 3.59Å
182	H	91.2	Very high	83.6	Confident	14 Å²	14	39 Å²	39	7%	0.065	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	167.2	162.6	59.4	-159.3	0	0	0	111.2	V93 H167 D169 Y171 F173 H195 E218	V93-H182 HydrophobicContact CG2-CB 4.15Å; H167-H182 AromaticContact CE1-CE1 3.71Å; H167-H182 AromaticContact CE1-NE2 3.63Å; H167-H182 AromaticContact NE2-CE1 3.51Å; H167-H182 AromaticContact NE2-NE2 3.03Å; H167-H182 PolarHBondContact NE2-NE2 2.94Å; D169-H182 IonicContact OD2-CE1 2.67Å; D169-H182 PolarHBondContact OD2-CE1 3.35Å; D169-H182 IonicContact OD2-NE2 3.74Å; D169-H182 PolarHBondContact OD2-NE2 2.78Å; D169-H182 VanDerWaalsContact OD2-NE2 3.17Å; Y171-H182 WeakPolarHBondContact CB-CE1 3.1Å; Y171-H182 PolarHBondContact O-CE1 2.84Å; Y171-H182 VanDerWaalsContact O-CE1 3.29Å; F173-H182 AromaticContact CZ-NE2 3.95Å; H182-H195 AromaticContact CD2-CG 3.99Å; H182-H195 AromaticContact CD2-ND1 3.85Å; H182-H195 PolarHBondContact N-O 2.82Å; H182-H195 AromaticContact NE2-CG 3.75Å; H182-H195 AromaticContact NE2-ND1 3.28Å; H182-H195 PolarHBondContact NE2-ND1 3.03Å; H182-H195 PolarHBondContact O-N 3.21Å; H182-E218 VanDerWaalsContact CA-OE2 3.26Å; H182-E218 WeakPolarHBondContact CA-OE2 3.22Å
183	A	92	Very high	84.1	Confident	9 Å²	9	36.5 Å²	36.5	7%	0.074	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	148.8	173.7	0	0	0	0	0	112	D193 I194 E218 H221	A183-D193 CarbonylContact C-O 3.56Å; A183-D193 WeakPolarHBondContact CA-O 3.43Å; A183-I194 HydrophobicContact CB-CB 4.45Å; A183-I194 HydrophobicContact CB-CG1 3.9Å; A183-E218 HydrophobicContact CB-CB 4.01Å; A183-E218 WeakPolarHBondContact CB-O 3.4Å; A183-E218 PolarHBondContact N-OE2 2.77Å; A183-H221 HydrophobicContact CB-CB 3.79Å
184	Y	82.8	Confident	84.7	Confident	33 Å²	33	36 Å²	36	13%	0.129	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-87.9	146.9	173.5	-68.5	-85.4	0	0	0	110.9	D169 Y171 L190 G192 D193 S222	D169-Y184 HydrophobicContact CB-CE2 4.29Å; D169-Y184 WeakPolarHBondContact CB-OH 3.25Å; D169-Y184 PolarHBondContact O-OH 3.43Å; D169-Y184 WeakPolarHBondContact OD2-CE2 3.34Å; D169-Y184 PolarHBondContact OD2-OH 2.89Å; Y171-Y184 HydrophobicContact CD2-CE1 4.37Å; Y171-Y184 VanDerWaalsContact CD2-OH 3.24Å; Y171-Y184 WeakPolarHBondContact CD2-OH 3.37Å; Y171-Y184 HydrophobicContact CE2-CE1 4.31Å; Y184-L190 VanDerWaalsContact CB-O 3.27Å; Y184-L190 WeakPolarHBondContact CB-O 3.22Å; Y184-L190 WeakPolarHBondContact CD2-O 3.23Å; Y184-G192 VanDerWaalsContact O-CA 3.29Å; Y184-G192 WeakPolarHBondContact O-CA 3.33Å; Y184-G192 PolarHBondContact O-N 2.92Å; Y184-D193 HydrophobicContact CD2-CB 4.44Å; Y184-D193 PolarHBondContact N-O 3.05Å; Y184-S222 WeakPolarHBondContact O-CA 3.47Å
185	P	84.3	Confident	85.4	Confident	14 Å²	14	33.7 Å²	33.7	9%	0.091	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-66.5	164.8	174.4	27.2	-34.1	0	0	0	113	F99 P106 G187 Y191 G192	F99-P185 HydrophobicContact CD1-CG 4.14Å; F99-P185 HydrophobicContact CE1-CB 4.46Å; F99-P185 HydrophobicContact CE1-CG 3.52Å; F99-P185 HydrophobicContact CZ-CG 4.1Å; P106-P185 HydrophobicContact CB-CB 3.55Å; P106-P185 HydrophobicContact CB-CG 4.48Å; P106-P185 HydrophobicContact CG-CB 3.17Å; P106-P185 HydrophobicContact CG-CG 4.18Å; P185-G187 PolarHBondContact O-N 3.37Å; P185-Y191 HydrophobicContact CG-CD1 3.9Å; P185-Y191 HydrophobicContact CG-CE1 4.09Å; P185-Y191 CarbonylContact O-C 3.54Å; P185-Y191 VanDerWaalsContact O-C 3.26Å; P185-Y191 WeakPolarHBondContact O-CA 3.31Å; P185-Y191 VanDerWaalsContact O-CB 3.23Å; P185-Y191 WeakPolarHBondContact O-CB 3.32Å; P185-Y191 WeakPolarHBondContact O-CD1 3.34Å; P185-G192 PolarHBondContact O-N 3.18Å
186	P	87.3	Confident	86.2	Confident	15 Å²	15	33.4 Å²	33.4	10%	0.097	20%	0.201	C	C	.	.	S	Bend	trans	-49.8	131.5	176.2	-28.6	28.8	0	0	0	115.6	P106 K107 W108 S222	P106-P186 HydrophobicContact CB-CB 4.28Å; P106-P186 HydrophobicContact CB-CG 4.22Å; K107-P186 VanDerWaalsContact C-CB 3.49Å; W108-P186 HydrophobicContact CD2-CB 3.83Å; W108-P186 HydrophobicContact CE3-CB 4.4Å; W108-P186 HydrophobicContact CG-CB 3.99Å; W108-P186 HydrophobicContact CG-CG 4.33Å; W108-P186 HydrophobicContact CZ2-CB 4.28Å; P186-S222 WeakPolarHBondContact CD-O 3.34Å; P186-S222 VanDerWaalsContact CG-O 3.25Å; P186-S222 WeakPolarHBondContact CG-O 3.49Å
187	G	77.5	Confident	86.8	Confident	21 Å²	21	29.4 Å²	29.4	22%	0.216	17%	0.174	C	C	.	.	S	Bend	trans	169.6	-170.3	177.6	0	0	0	0	0	113.7	W108 P185	W108-G187 VanDerWaalsContact CH2-O 3.22Å; W108-G187 WeakPolarHBondContact CH2-O 3.34Å; W108-G187 VanDerWaalsContact CZ3-O 3.3Å; W108-G187 WeakPolarHBondContact CZ3-O 3.35Å; P185-G187 PolarHBondContact O-N 3.37Å
188	P	69.1	Low	87.9	Confident	112 Å²	112	30.5 Å²	30.5	73%	0.727	17%	0.174	S	C	*	.	S	Bend	trans	-86.5	149.4	178	33.4	-33.2	0	0	0	113	Y191	P188-Y191 VanDerWaalsContact O-CD2 3.32Å; P188-Y191 WeakPolarHBondContact O-CD2 3.32Å
189	G	79.1	Confident	88.5	Confident	44 Å²	44	30 Å²	30	45%	0.454	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	-129.3	177	0	0	0	0	0	111.3	Y191	G189-Y191 PolarHBondContact O-N 3.41Å; G189-Y191 VanDerWaalsContact O-N 3.08Å
190	L	73.5	Confident	88.7	Confident	90 Å²	90	30 Å²	30	47%	0.471	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.3	179.6	-63.7	175.4	0	0	0	114	D169 Y184 G192 D193	D169-L190 HydrophobicContact CB-CD1 4.46Å; Y184-L190 VanDerWaalsContact CB-O 3.27Å; Y184-L190 WeakPolarHBondContact CB-O 3.22Å; Y184-L190 WeakPolarHBondContact CD2-O 3.23Å; L190-G192 PolarHBondContact O-N 3.42Å; L190-D193 WeakPolarHBondContact O-CB 3.45Å; L190-D193 PolarHBondContact O-N 3.03Å
191	Y	79.4	Confident	88.7	Confident	121 Å²	121	34.2 Å²	34.2	48%	0.475	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	120.3	-178.9	-77.5	-78.7	0	0	0	111.2	W108 P185 P188 G189	W108-Y191 WeakPolarHBondContact CH2-O 3.47Å; P185-Y191 HydrophobicContact CG-CD1 3.9Å; P185-Y191 HydrophobicContact CG-CE1 4.09Å; P185-Y191 CarbonylContact O-C 3.54Å; P185-Y191 VanDerWaalsContact O-C 3.26Å; P185-Y191 WeakPolarHBondContact O-CA 3.31Å; P185-Y191 VanDerWaalsContact O-CB 3.23Å; P185-Y191 WeakPolarHBondContact O-CB 3.32Å; P185-Y191 WeakPolarHBondContact O-CD1 3.34Å; P188-Y191 VanDerWaalsContact O-CD2 3.32Å; P188-Y191 WeakPolarHBondContact O-CD2 3.32Å; G189-Y191 PolarHBondContact O-N 3.41Å; G189-Y191 VanDerWaalsContact O-N 3.08Å
192	G	84.9	Confident	88.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.2	-22.2	-172.3	0	0	0	0	0	113.1	I158 Y184 P185 L190 S222	I158-G192 WeakPolarHBondContact CG2-O 3.29Å; Y184-G192 VanDerWaalsContact O-CA 3.29Å; Y184-G192 WeakPolarHBondContact O-CA 3.33Å; Y184-G192 PolarHBondContact O-N 2.92Å; P185-G192 PolarHBondContact O-N 3.18Å; L190-G192 PolarHBondContact O-N 3.42Å; G192-S222 WeakPolarHBondContact O-CB 3.4Å; G192-S222 PolarHBondContact O-OG 2.84Å
193	D	92.5	Very high	88.9	Confident	14 Å²	14	34.2 Å²	34.2	8%	0.075	20%	0.196	C	C	.	.			trans	-69.1	149	-174	-67.6	-9.8	0	0	0	112.3	M159 A183 Y184 L190	M159-D193 WeakPolarHBondContact CA-OD1 3.38Å; M159-D193 HydrophobicContact CB-CB 4.4Å; M159-D193 WeakPolarHBondContact CB-OD1 3.46Å; M159-D193 WeakPolarHBondContact CG-OD1 3.43Å; M159-D193 PolarHBondContact N-OD1 3.49Å; M159-D193 CarbonylContact O-C 3.5Å; M159-D193 VanDerWaalsContact O-CA 3.31Å; M159-D193 WeakPolarHBondContact O-CA 3.16Å; M159-D193 WeakPolarHBondContact O-CB 3.2Å; A183-D193 CarbonylContact C-O 3.56Å; A183-D193 WeakPolarHBondContact CA-O 3.43Å; Y184-D193 HydrophobicContact CD2-CB 4.44Å; Y184-D193 PolarHBondContact N-O 3.05Å; L190-D193 WeakPolarHBondContact O-CB 3.45Å; L190-D193 PolarHBondContact O-N 3.03Å
194	I	97.8	Very high	88.8	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.8	179.4	-56	176.8	0	0	0	108.3	I158 M159 I160 S161 A183 F196 E218 L219 S222	I158-I194 HydrophobicContact CG2-CD1 4.01Å; I158-I194 HydrophobicContact CG2-CG1 4.1Å; M159-I194 PolarHBondContact O-N 3.12Å; I160-I194 WeakPolarHBondContact CA-O 3.12Å; I160-I194 HydrophobicContact CG1-CB 4.32Å; I160-I194 HydrophobicContact CG1-CD1 4.37Å; S161-I194 PolarHBondContact N-O 3.29Å; A183-I194 HydrophobicContact CB-CB 4.45Å; A183-I194 HydrophobicContact CB-CG1 3.9Å; I194-F196 HydrophobicContact CB-CE2 4.48Å; I194-F196 HydrophobicContact CG2-CD2 4.11Å; I194-F196 HydrophobicContact CG2-CE1 4.25Å; I194-F196 HydrophobicContact CG2-CE2 3.53Å; I194-F196 HydrophobicContact CG2-CZ 3.6Å; I194-E218 HydrophobicContact CD1-CB 4.2Å; I194-E218 HydrophobicContact CG1-CB 4.33Å; I194-E218 HydrophobicContact CG2-CB 3.59Å; I194-E218 HydrophobicContact CG2-CG 4.06Å; I194-L219 HydrophobicContact CD1-CB 4.38Å; I194-L219 HydrophobicContact CD1-CD2 3.69Å; I194-L219 HydrophobicContact CD1-CG 3.64Å; I194-S222 WeakPolarHBondContact CD1-OG 3.21Å; I194-S222 WeakPolarHBondContact CG1-OG 3.36Å
195	H	96.6	Very high	88.9	Confident	14 Å²	14	41.7 Å²	41.7	7%	0.065	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.3	173.4	-49.8	151.5	0	0	0	109.3	S161 H167 D169 F173 A181 H182	S161-H195 WeakPolarHBondContact O-CA 3.39Å; S161-H195 PolarHBondContact OG-CD2 3.02Å; H167-H195 AromaticContact CD2-CG 3.81Å; H167-H195 AromaticContact CD2-ND1 3.33Å; H167-H195 PolarHBondContact CD2-ND1 3.48Å; H167-H195 VanDerWaalsContact CD2-ND1 3.33Å; H167-H195 AromaticContact NE2-CG 3.66Å; H167-H195 AromaticContact NE2-ND1 3.16Å; H167-H195 PolarHBondContact NE2-ND1 2.76Å; H167-H195 VanDerWaalsContact NE2-ND1 3.16Å; D169-H195 IonicContact OD2-CE1 2.81Å; D169-H195 PolarHBondContact OD2-CE1 3.2Å; D169-H195 VanDerWaalsContact OD2-CE1 3.25Å; D169-H195 IonicContact OD2-ND1 3.54Å; D169-H195 PolarHBondContact OD2-ND1 3.32Å; F173-H195 HydrophobicContact CE2-CB 4.18Å; F173-H195 HydrophobicContact CZ-CB 3.86Å; F173-H195 WeakPolarHBondContact CZ-O 3.43Å; A181-H195 CarbonylContact C-O 3.6Å; A181-H195 WeakPolarHBondContact CA-O 3.25Å; A181-H195 VanDerWaalsContact CB-O 3.27Å; A181-H195 WeakPolarHBondContact CB-O 3.28Å; H182-H195 AromaticContact CD2-CG 3.99Å; H182-H195 AromaticContact CD2-ND1 3.85Å; H182-H195 PolarHBondContact N-O 2.82Å; H182-H195 AromaticContact NE2-CG 3.75Å; H182-H195 AromaticContact NE2-ND1 3.28Å; H182-H195 PolarHBondContact NE2-ND1 3.03Å; H182-H195 PolarHBondContact O-N 3.21Å
196	F	98.1	Very high	88.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.9	172.9	-64.6	-80.5	0	0	0	109.4	I133 I160 S161 F162 A163 A181 I194 D198 W202 L211 V214 A215 E218	I133-F196 HydrophobicContact CD1-CE2 4.18Å; I133-F196 HydrophobicContact CD1-CZ 4.22Å; I160-F196 HydrophobicContact CG2-CD2 4.06Å; I160-F196 HydrophobicContact CG2-CE2 3.59Å; S161-F196 PolarHBondContact O-N 2.95Å; F162-F196 WeakPolarHBondContact CA-O 3.43Å; F162-F196 HydrophobicContact CD1-CB 3.6Å; F162-F196 HydrophobicContact CD1-CD2 4.45Å; F162-F196 HydrophobicContact CD1-CG 4.31Å; F162-F196 HydrophobicContact CE1-CB 3.78Å; F162-F196 HydrophobicContact CE1-CD2 4.08Å; F162-F196 HydrophobicContact CE1-CG 4.02Å; F162-F196 HydrophobicContact CE2-CD2 4.49Å; F162-F196 HydrophobicContact CG-CB 4.3Å; F162-F196 HydrophobicContact CZ-CD2 4.1Å; F162-F196 HydrophobicContact CZ-CG 4.48Å; A163-F196 PolarHBondContact N-O 3.44Å; A181-F196 HydrophobicContact CB-CD1 3.73Å; A181-F196 HydrophobicContact CB-CE1 4.22Å; A181-F196 HydrophobicContact CB-CG 4.44Å; I194-F196 HydrophobicContact CB-CE2 4.48Å; I194-F196 HydrophobicContact CG2-CD2 4.11Å; I194-F196 HydrophobicContact CG2-CE1 4.25Å; I194-F196 HydrophobicContact CG2-CE2 3.53Å; I194-F196 HydrophobicContact CG2-CZ 3.6Å; F196-D198 PolarHBondContact O-N 3.45Å; F196-W202 HydrophobicContact CB-CH2 4.3Å; F196-W202 HydrophobicContact CB-CZ2 3.71Å; F196-W202 AromaticContact CD1-CH2 3.63Å; F196-W202 HydrophobicContact CD1-CH2 3.63Å; F196-W202 AromaticContact CD1-CZ2 3.94Å; F196-W202 HydrophobicContact CD1-CZ2 3.94Å; F196-W202 HydrophobicContact CD1-CZ3 4.18Å; F196-W202 HydrophobicContact CE1-CH2 4.49Å; F196-W202 HydrophobicContact CG-CH2 4.41Å; F196-W202 HydrophobicContact CG-CZ2 4.28Å; F196-L211 HydrophobicContact CD1-CD1 3.95Å; F196-L211 HydrophobicContact CE1-CD1 3.88Å; F196-L211 HydrophobicContact CE2-CD1 4.47Å; F196-L211 HydrophobicContact CG-CD1 4.3Å; F196-L211 HydrophobicContact CZ-CD1 4.16Å; F196-V214 HydrophobicContact CD1-CG1 4.15Å; F196-V214 HydrophobicContact CE1-CB 4.3Å; F196-V214 HydrophobicContact CE1-CG1 3.93Å; F196-A215 HydrophobicContact CE1-CB 4.04Å; F196-A215 HydrophobicContact CZ-CB 3.59Å; F196-E218 HydrophobicContact CE1-CG 4.42Å
197	D	97.3	Very high	88.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	114.3	175	-170.1	2.4	0	0	0	110.1	A163 F173 G175 L180 D199 E200 W202	A163-D197 CarbonylContact O-C 3.58Å; A163-D197 WeakPolarHBondContact O-CA 3.04Å; F173-D197 HydrophobicContact CB-CB 4.18Å; F173-D197 WeakPolarHBondContact CB-OD2 3.44Å; F173-D197 HydrophobicContact CD1-CB 3.94Å; F173-D197 HydrophobicContact CD2-CB 3.66Å; F173-D197 HydrophobicContact CE1-CB 4.24Å; F173-D197 HydrophobicContact CE2-CB 3.97Å; F173-D197 HydrophobicContact CG-CB 3.67Å; F173-D197 HydrophobicContact CZ-CB 4.25Å; G175-D197 WeakPolarHBondContact CA-OD2 3.22Å; G175-D197 PolarHBondContact N-OD2 3.25Å; L180-D197 PolarHBondContact O-N 3.26Å; D197-D199 PolarHBondContact O-N 2.6Å; D197-D199 WeakPolarHBondContact OD1-CB 3.42Å; D197-D199 PolarHBondContact OD1-N 2.98Å; D197-E200 HydrophobicContact CB-CG 4.01Å; D197-E200 WeakPolarHBondContact O-CB 3.46Å; D197-E200 PolarHBondContact O-N 2.82Å; D197-W202 WeakPolarHBondContact O-CZ2 3.48Å; D197-W202 PolarHBondContact O-NE1 3.29Å
198	D	96.9	Very high	89.1	Confident	48 Å²	48	47.7 Å²	47.7	26%	0.257	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.4	-179.3	-148.7	33.1	0	0	0	112.2	T121 F162 A163 V164 F196 E200	T121-D198 WeakPolarHBondContact CA-OD1 3.3Å; T121-D198 WeakPolarHBondContact CB-OD1 3.39Å; T121-D198 PolarHBondContact OG1-OD1 3.44Å; F162-D198 HydrophobicContact CB-CB 4.08Å; A163-D198 PolarHBondContact O-N 2.93Å; V164-D198 HydrophobicContact CG1-CB 3.85Å; F196-D198 PolarHBondContact O-N 3.45Å; D198-E200 VanDerWaalsContact C-N 3.29Å
199	D	95.4	Very high	90.3	Very high	67 Å²	67	43 Å²	43	36%	0.358	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-7.2	165	-81.8	-29.5	0	0	0	112	S176 D197	S176-D199 WeakPolarHBondContact CB-O 3.42Å; D197-D199 PolarHBondContact O-N 2.6Å; D197-D199 WeakPolarHBondContact OD1-CB 3.42Å; D197-D199 PolarHBondContact OD1-N 2.98Å
200	E	95.5	Very high	91.1	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.042	23%	0.228	C	C	.	.	S	Bend	trans	-85.3	152.1	173.8	-60.9	-63.2	173.1	0	0	112.7	G177 L180 D197 D198 W202	G177-E200 VanDerWaalsContact N-CD 3.3Å; G177-E200 PolarHBondContact N-OE1 3.29Å; G177-E200 PolarHBondContact N-OE2 3.25Å; G177-E200 VanDerWaalsContact N-OE2 3.14Å; L180-E200 HydrophobicContact CD2-CG 3.85Å; D197-E200 HydrophobicContact CB-CG 4.01Å; D197-E200 WeakPolarHBondContact O-CB 3.46Å; D197-E200 PolarHBondContact O-N 2.82Å; D198-E200 VanDerWaalsContact C-N 3.29Å; E200-W202 HydrophobicContact CB-CZ2 4.08Å; E200-W202 HydrophobicContact CG-CZ2 4.4Å; E200-W202 PolarHBondContact O-N 2.71Å
201	N	94.7	Very high	92.2	Very high	92 Å²	92	36.9 Å²	36.9	49%	0.492	21%	0.206	S	C	.	.			trans	-85.9	95.6	174.5	178.3	44.9	0	0	0	110.8	T209	N201-T209 PolarHBondContact O-N 3.36Å
202	W	97.2	Very high	93	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129.8	-178.1	-64.7	101.3	0	0	0	112.2	T121 D123 L124 L180 F196 D197 E200 T209 L211 V214	T121-W202 HydrophobicContact CG2-CB 4.28Å; T121-W202 HydrophobicContact CG2-CG 4.47Å; D123-W202 HydrophobicContact CB-CB 4.19Å; D123-W202 PolarHBondContact OD2-N 3.01Å; L124-W202 HydrophobicContact CD1-CB 4.14Å; L124-W202 HydrophobicContact CG-CB 4.46Å; L124-W202 WeakPolarHBondContact CG-O 3.33Å; L180-W202 HydrophobicContact CB-CH2 4.45Å; L180-W202 WeakPolarHBondContact O-CZ2 3.49Å; F196-W202 HydrophobicContact CB-CH2 4.3Å; F196-W202 HydrophobicContact CB-CZ2 3.71Å; F196-W202 AromaticContact CD1-CH2 3.63Å; F196-W202 HydrophobicContact CD1-CH2 3.63Å; F196-W202 AromaticContact CD1-CZ2 3.94Å; F196-W202 HydrophobicContact CD1-CZ2 3.94Å; F196-W202 HydrophobicContact CD1-CZ3 4.18Å; F196-W202 HydrophobicContact CE1-CH2 4.49Å; F196-W202 HydrophobicContact CG-CH2 4.41Å; F196-W202 HydrophobicContact CG-CZ2 4.28Å; D197-W202 WeakPolarHBondContact O-CZ2 3.48Å; D197-W202 PolarHBondContact O-NE1 3.29Å; E200-W202 HydrophobicContact CB-CZ2 4.08Å; E200-W202 HydrophobicContact CG-CZ2 4.4Å; E200-W202 PolarHBondContact O-N 2.71Å; W202-T209 HydrophobicContact CE3-CG2 3.92Å; W202-T209 HydrophobicContact CH2-CG2 3.99Å; W202-T209 HydrophobicContact CZ3-CG2 3.46Å; W202-T209 VanDerWaalsContact CZ3-CG2 3.46Å; W202-L211 HydrophobicContact CD2-CD1 4.11Å; W202-L211 HydrophobicContact CE3-CB 3.89Å; W202-L211 HydrophobicContact CE3-CD1 3.69Å; W202-L211 HydrophobicContact CE3-CG 4.39Å; W202-L211 HydrophobicContact CZ3-CD1 3.96Å; W202-V214 HydrophobicContact CH2-CB 4.15Å; W202-V214 HydrophobicContact CH2-CG1 3.98Å; W202-V214 HydrophobicContact CH2-CG2 4.25Å; W202-V214 HydrophobicContact CZ3-CB 3.85Å; W202-V214 HydrophobicContact CZ3-CG1 4.21Å; W202-V214 HydrophobicContact CZ3-CG2 3.84Å
203	T	94.7	Very high	93.5	Very high	13 Å²	13	33 Å²	33	8%	0.08	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	157.9	-174.8	58.9	0	0	0	0	112	D205 G208 T209 N210 L211	T203-D205 PolarHBondContact OG1-O 3.03Å; T203-G208 VanDerWaalsContact OG1-C 3.28Å; T203-G208 WeakPolarHBondContact OG1-CA 3.36Å; T203-G208 PolarHBondContact OG1-N 3.26Å; T203-T209 PolarHBondContact N-O 2.85Å; T203-T209 PolarHBondContact OG1-N 3.4Å; T203-T209 PolarHBondContact OG1-O 3.04Å; T203-N210 WeakPolarHBondContact O-CA 3.42Å; T203-L211 PolarHBondContact O-N 3.45Å; T203-L211 VanDerWaalsContact O-N 3.13Å
204	E	90.7	Very high	93.8	Very high	114 Å²	114	32.7 Å²	32.7	53%	0.533	19%	0.191	S	C	.	.	S	Bend	trans	-86.6	-17.8	172.5	-68.8	-175.8	80.6	0	0	113	L124 A128 N210	L124-E204 HydrophobicContact CD1-CG 4.49Å; L124-E204 HydrophobicContact CD2-CG 3.96Å; A128-E204 HydrophobicContact CB-CG 4.05Å; A128-E204 WeakPolarHBondContact CB-OE2 3.49Å; E204-N210 PolarHBondContact O-ND2 2.96Å
205	D	84.7	Confident	93.8	Very high	85 Å²	85	32.6 Å²	32.6	46%	0.455	19%	0.19	S	C	.	.	S	Bend	trans	-114.8	-158.1	-176.7	65.7	20.9	0	0	0	111.4	T203 S207 N210	T203-D205 PolarHBondContact OG1-O 3.03Å; D205-S207 WeakPolarHBondContact OD1-CB 3.49Å; D205-S207 PolarHBondContact OD1-N 3.21Å; D205-S207 PolarHBondContact OD1-OG 2.96Å; D205-N210 PolarHBondContact O-ND2 3.39Å
206	A	83.1	Confident	93.9	Very high	64 Å²	64	32 Å²	32	53%	0.529	19%	0.187	S	C	.	.	S	Bend	trans	-96.5	8.8	-179.5	0	0	0	0	0	113.4	G208	A206-G208 VanDerWaalsContact C-N 3.31Å
207	S	83.6	Confident	93.8	Very high	92 Å²	92	32.5 Å²	32.5	64%	0.643	19%	0.19	S	C	*	.	S	Bend	trans	-76.9	-18	-178.9	67.6	0	0	0	0	113.6	D205	D205-S207 WeakPolarHBondContact OD1-CB 3.49Å; D205-S207 PolarHBondContact OD1-N 3.21Å; D205-S207 PolarHBondContact OD1-OG 2.96Å
208	G	87.3	Confident	93.9	Very high	19 Å²	19	32.6 Å²	32.6	20%	0.196	19%	0.19	C	C	.	.	S	Bend	trans	-145.2	-143.3	174.2	0	0	0	0	0	112	T203 A206 Y239	T203-G208 VanDerWaalsContact OG1-C 3.28Å; T203-G208 WeakPolarHBondContact OG1-CA 3.36Å; T203-G208 PolarHBondContact OG1-N 3.26Å; A206-G208 VanDerWaalsContact C-N 3.31Å; G208-Y239 PolarHBondContact O-OH 2.91Å
209	T	93.7	Very high	93.9	Very high	14 Å²	14	30.3 Å²	30.3	9%	0.086	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118	175.9	-57.8	0	0	0	0	108.9	L180 N201 W202 T203 L211 V214 Y239	L180-T209 HydrophobicContact CD1-CG2 3.87Å; L180-T209 HydrophobicContact CD2-CG2 3.96Å; L180-T209 HydrophobicContact CG-CG2 4.4Å; N201-T209 PolarHBondContact O-N 3.36Å; W202-T209 HydrophobicContact CE3-CG2 3.92Å; W202-T209 HydrophobicContact CH2-CG2 3.99Å; W202-T209 HydrophobicContact CZ3-CG2 3.46Å; W202-T209 VanDerWaalsContact CZ3-CG2 3.46Å; T203-T209 PolarHBondContact N-O 2.85Å; T203-T209 PolarHBondContact OG1-N 3.4Å; T203-T209 PolarHBondContact OG1-O 3.04Å; T209-L211 PolarHBondContact O-N 3.21Å; T209-V214 HydrophobicContact CG2-CG2 3.69Å; T209-Y239 HydrophobicContact CG2-CE2 4.46Å
210	N	95.4	Very high	94	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	112.6	-174.9	-170.1	-89	0	0	0	110.5	T203 E204 D205 F212 L213 V214 Y239 L245	T203-N210 WeakPolarHBondContact O-CA 3.42Å; E204-N210 PolarHBondContact O-ND2 2.96Å; D205-N210 PolarHBondContact O-ND2 3.39Å; N210-F212 VanDerWaalsContact C-N 3.28Å; N210-F212 PolarHBondContact O-N 3.04Å; N210-F212 WeakPolarHBondContact OD1-CB 3.49Å; N210-F212 PolarHBondContact OD1-N 3.25Å; N210-L213 HydrophobicContact CB-CB 4.29Å; N210-L213 HydrophobicContact CB-CD1 4.07Å; N210-L213 HydrophobicContact CB-CG 4.16Å; N210-L213 PolarHBondContact O-N 3.36Å; N210-L213 PolarHBondContact OD1-N 3.21Å; N210-V214 PolarHBondContact O-N 2.93Å; N210-Y239 WeakPolarHBondContact CB-OH 3.46Å; N210-Y239 PolarHBondContact N-OH 3.45Å; N210-L245 VanDerWaalsContact ND2-CD1 3.32Å; N210-L245 WeakPolarHBondContact ND2-CD1 3.39Å
211	L	97.4	Very high	93.8	Very high	1 Å²	1	27 Å²	27	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-37	-174.9	179.7	60.7	0	0	0	112.4	L124 V129 A132 F162 F196 W202 T203 T209 A215	L124-L211 HydrophobicContact CD1-CB 4.22Å; L124-L211 HydrophobicContact CD1-CD2 4Å; V129-L211 HydrophobicContact CB-CD2 4.23Å; V129-L211 HydrophobicContact CG1-CD2 4.07Å; V129-L211 HydrophobicContact CG2-CD2 3.99Å; A132-L211 HydrophobicContact CB-CB 4.24Å; A132-L211 HydrophobicContact CB-CD2 3.97Å; A132-L211 HydrophobicContact CB-CG 3.99Å; F162-L211 HydrophobicContact CE1-CD1 3.97Å; F162-L211 HydrophobicContact CE1-CD2 4.46Å; F162-L211 HydrophobicContact CZ-CD1 4.04Å; F162-L211 HydrophobicContact CZ-CD2 4.06Å; F196-L211 HydrophobicContact CD1-CD1 3.95Å; F196-L211 HydrophobicContact CE1-CD1 3.88Å; F196-L211 HydrophobicContact CE2-CD1 4.47Å; F196-L211 HydrophobicContact CG-CD1 4.3Å; F196-L211 HydrophobicContact CZ-CD1 4.16Å; W202-L211 HydrophobicContact CD2-CD1 4.11Å; W202-L211 HydrophobicContact CE3-CB 3.89Å; W202-L211 HydrophobicContact CE3-CD1 3.69Å; W202-L211 HydrophobicContact CE3-CG 4.39Å; W202-L211 HydrophobicContact CZ3-CD1 3.96Å; T203-L211 PolarHBondContact O-N 3.45Å; T203-L211 VanDerWaalsContact O-N 3.13Å; T209-L211 PolarHBondContact O-N 3.21Å; L211-A215 WeakPolarHBondContact O-CB 3.49Å; L211-A215 PolarHBondContact O-N 2.85Å
212	F	96.4	Very high	93.9	Very high	28 Å²	28	22.6 Å²	22.6	12%	0.123	14%	0.137	C	C	.	.	H	α-helix	trans	-63	-45.2	178.8	156.9	-105.5	0	0	0	112.1	A132 K135 A136 V139 N210 A215 A216 L245 F248	A132-F212 HydrophobicContact CB-CB 4.21Å; K135-F212 HydrophobicContact CB-CD2 3.47Å; K135-F212 VanDerWaalsContact CB-CD2 3.47Å; K135-F212 HydrophobicContact CB-CE2 3.6Å; K135-F212 HydrophobicContact CB-CG 4.44Å; A136-F212 HydrophobicContact CB-CD2 4.15Å; A136-F212 HydrophobicContact CB-CE2 4.47Å; V139-F212 HydrophobicContact CG2-CE2 3.79Å; V139-F212 HydrophobicContact CG2-CZ 3.8Å; N210-F212 VanDerWaalsContact C-N 3.28Å; N210-F212 PolarHBondContact O-N 3.04Å; N210-F212 WeakPolarHBondContact OD1-CB 3.49Å; N210-F212 PolarHBondContact OD1-N 3.25Å; F212-A215 PolarHBondContact O-N 3.46Å; F212-A216 VanDerWaalsContact O-CB 3.29Å; F212-A216 WeakPolarHBondContact O-CB 3.26Å; F212-A216 PolarHBondContact O-N 3.17Å; F212-L245 HydrophobicContact CD1-CD2 4.35Å; F212-F248 HydrophobicContact CE1-CB 4.24Å; F212-F248 AromaticContact CE1-CD1 3.83Å; F212-F248 HydrophobicContact CE1-CD1 3.83Å; F212-F248 HydrophobicContact CE1-CE1 4.43Å; F212-F248 AromaticContact CE1-CG 3.96Å; F212-F248 HydrophobicContact CE1-CG 3.96Å; F212-F248 AromaticContact CZ-CD1 3.59Å; F212-F248 HydrophobicContact CZ-CD1 3.59Å; F212-F248 HydrophobicContact CZ-CE1 4.02Å; F212-F248 HydrophobicContact CZ-CG 4.2Å
213	L	95	Very high	93.8	Very high	12 Å²	12	22.5 Å²	22.5	6%	0.063	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-46.8	-179.4	-69.1	-179.9	0	0	0	111.9	N210 A216 H217 Y239 T243 L245 F248	N210-L213 HydrophobicContact CB-CB 4.29Å; N210-L213 HydrophobicContact CB-CD1 4.07Å; N210-L213 HydrophobicContact CB-CG 4.16Å; N210-L213 PolarHBondContact O-N 3.36Å; N210-L213 PolarHBondContact OD1-N 3.21Å; L213-A216 PolarHBondContact O-N 3.22Å; L213-H217 PolarHBondContact O-N 3.24Å; L213-H217 VanDerWaalsContact O-N 3.09Å; L213-Y239 HydrophobicContact CB-CE2 4.39Å; L213-Y239 HydrophobicContact CD1-CE2 4.31Å; L213-T243 HydrophobicContact CD1-CG2 4.11Å; L213-T243 HydrophobicContact CD2-CG2 4.03Å; L213-L245 HydrophobicContact CD1-CD2 3.6Å; L213-L245 HydrophobicContact CD2-CD2 3.92Å; L213-L245 HydrophobicContact CG-CD2 3.61Å; L213-F248 HydrophobicContact CD2-CD2 3.66Å; L213-F248 HydrophobicContact CD2-CE2 3.78Å; L213-F248 HydrophobicContact CD2-CG 4.27Å; L213-F248 HydrophobicContact CD2-CZ 4.49Å
214	V	97.8	Very high	93.5	Very high	7 Å²	7	22 Å²	22	4%	0.042	13%	0.134	C	C	.	.	H	α-helix	trans	-65.8	-44.6	178.9	-175.5	0	0	0	0	109.8	L180 A181 F196 W202 T209 N210 A216 H217 E218 Y239	L180-V214 HydrophobicContact CB-CG1 4.35Å; L180-V214 HydrophobicContact CD1-CG2 4.04Å; A181-V214 HydrophobicContact CB-CG1 3.59Å; F196-V214 HydrophobicContact CD1-CG1 4.15Å; F196-V214 HydrophobicContact CE1-CB 4.3Å; F196-V214 HydrophobicContact CE1-CG1 3.93Å; W202-V214 HydrophobicContact CH2-CB 4.15Å; W202-V214 HydrophobicContact CH2-CG1 3.98Å; W202-V214 HydrophobicContact CH2-CG2 4.25Å; W202-V214 HydrophobicContact CZ3-CB 3.85Å; W202-V214 HydrophobicContact CZ3-CG1 4.21Å; W202-V214 HydrophobicContact CZ3-CG2 3.84Å; T209-V214 HydrophobicContact CG2-CG2 3.69Å; N210-V214 PolarHBondContact O-N 2.93Å; V214-A216 VanDerWaalsContact C-N 3.3Å; V214-A216 PolarHBondContact O-N 3.28Å; V214-H217 WeakPolarHBondContact O-CB 3.24Å; V214-H217 PolarHBondContact O-N 3.14Å; V214-H217 VanDerWaalsContact O-N 3.12Å; V214-E218 HydrophobicContact CG1-CG 4.1Å; V214-E218 WeakPolarHBondContact O-CG 3.37Å; V214-E218 PolarHBondContact O-N 3.08Å; V214-Y239 HydrophobicContact CG2-CD2 4.1Å; V214-Y239 HydrophobicContact CG2-CE2 4.15Å
215	A	98.4	Very high	93.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-37.9	176.9	0	0	0	0	0	113.2	I133 A136 F196 L211 F212 L219	I133-A215 HydrophobicContact CD1-CB 3.62Å; A136-A215 HydrophobicContact CB-CB 3.78Å; F196-A215 HydrophobicContact CE1-CB 4.04Å; F196-A215 HydrophobicContact CZ-CB 3.59Å; L211-A215 WeakPolarHBondContact O-CB 3.49Å; L211-A215 PolarHBondContact O-N 2.85Å; F212-A215 PolarHBondContact O-N 3.46Å; A215-L219 VanDerWaalsContact O-CB 3.26Å; A215-L219 WeakPolarHBondContact O-CB 3.4Å; A215-L219 WeakPolarHBondContact O-CG 3.47Å; A215-L219 PolarHBondContact O-N 3.22Å
216	A	97.8	Very high	93.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.2	-41.4	176.4	0	0	0	0	0	111.1	A136 W140 F212 L213 V214 G220 L234	A136-A216 HydrophobicContact CB-CB 4Å; W140-A216 PolarHBondContact NE1-O 3.37Å; F212-A216 VanDerWaalsContact O-CB 3.29Å; F212-A216 WeakPolarHBondContact O-CB 3.26Å; F212-A216 PolarHBondContact O-N 3.17Å; L213-A216 PolarHBondContact O-N 3.22Å; V214-A216 VanDerWaalsContact C-N 3.3Å; V214-A216 PolarHBondContact O-N 3.28Å; A216-G220 PolarHBondContact O-N 3.41Å; A216-L234 HydrophobicContact CB-CD1 4.28Å; A216-L234 HydrophobicContact CB-CD2 3.68Å
217	H	97.8	Very high	93.9	Very high	12 Å²	12	13 Å²	13	6%	0.056	8%	0.078	C	C	.	.	H	α-helix	trans	-62.5	-53.4	175.2	-179	106.8	0	0	0	111.7	C91 L213 V214 L219 G220 H221 H227 L234 M235 Y236	C91-H217 WeakPolarHBondContact CB-NE2 3.47Å; L213-H217 PolarHBondContact O-N 3.24Å; L213-H217 VanDerWaalsContact O-N 3.09Å; V214-H217 WeakPolarHBondContact O-CB 3.24Å; V214-H217 PolarHBondContact O-N 3.14Å; V214-H217 VanDerWaalsContact O-N 3.12Å; H217-L219 VanDerWaalsContact C-N 3.3Å; H217-L219 PolarHBondContact O-N 3.19Å; H217-G220 WeakPolarHBondContact O-CA 3.4Å; H217-G220 PolarHBondContact O-N 2.94Å; H217-H221 AromaticContact CD2-CD2 3.85Å; H217-H221 AromaticContact CD2-NE2 3.82Å; H217-H221 AromaticContact NE2-CD2 3.82Å; H217-H221 AromaticContact NE2-NE2 3.28Å; H217-H221 PolarHBondContact NE2-NE2 3.3Å; H217-H221 PolarHBondContact O-N 3.46Å; H217-H227 AromaticContact CE1-CD2 3.66Å; H217-H227 AromaticContact CE1-NE2 3.77Å; H217-H227 AromaticContact NE2-CD2 3.47Å; H217-H227 PolarHBondContact NE2-CD2 2.92Å; H217-H227 AromaticContact NE2-NE2 3.26Å; H217-H227 PolarHBondContact NE2-NE2 2.84Å; H217-L234 HydrophobicContact CB-CD1 4.14Å; H217-L234 HydrophobicContact CB-CG 4.31Å; H217-L234 PolarHBondContact ND1-O 2.95Å; H217-M235 VanDerWaalsContact O-SD 3.4Å; H217-Y236 PolarHBondContact CE1-O 2.9Å; H217-Y236 VanDerWaalsContact CE1-O 3.28Å
218	E	98.1	Very high	94.1	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-63.5	-35.9	-178.8	-62.1	-46	141.8	0	0	112.2	C91 A181 H182 A183 I194 F196 V214 G220 H221 S222	C91-E218 PolarHBondContact SG-OE1 3.2Å; C91-E218 PolarHBondContact SG-OE2 3.07Å; A181-E218 HydrophobicContact CB-CG 3.59Å; H182-E218 VanDerWaalsContact CA-OE2 3.26Å; H182-E218 WeakPolarHBondContact CA-OE2 3.22Å; A183-E218 HydrophobicContact CB-CB 4.01Å; A183-E218 WeakPolarHBondContact CB-O 3.4Å; A183-E218 PolarHBondContact N-OE2 2.77Å; I194-E218 HydrophobicContact CD1-CB 4.2Å; I194-E218 HydrophobicContact CG1-CB 4.33Å; I194-E218 HydrophobicContact CG2-CB 3.59Å; I194-E218 HydrophobicContact CG2-CG 4.06Å; F196-E218 HydrophobicContact CE1-CG 4.42Å; V214-E218 HydrophobicContact CG1-CG 4.1Å; V214-E218 WeakPolarHBondContact O-CG 3.37Å; V214-E218 PolarHBondContact O-N 3.08Å; E218-G220 PolarHBondContact O-N 3.03Å; E218-H221 WeakPolarHBondContact O-CA 3.12Å; E218-H221 WeakPolarHBondContact O-CB 3.35Å; E218-H221 PolarHBondContact O-N 3.01Å; E218-H221 IonicContact OE2-CD2 3.52Å; E218-S222 PolarHBondContact O-N 3.35Å; E218-S222 PolarHBondContact O-OG 3.14Å
219	L	98.3	Very high	94.1	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-60.4	-33.7	170.5	-85.8	167.9	0	0	0	112	A136 V137 I158 I194 A215 H217 H221 S222 L223	A136-L219 HydrophobicContact CB-CD1 3.73Å; V137-L219 HydrophobicContact CB-CD1 4.47Å; V137-L219 HydrophobicContact CG2-CD1 3.7Å; I158-L219 HydrophobicContact CD1-CD2 4.05Å; I158-L219 HydrophobicContact CG2-CD2 4.42Å; I194-L219 HydrophobicContact CD1-CB 4.38Å; I194-L219 HydrophobicContact CD1-CD2 3.69Å; I194-L219 HydrophobicContact CD1-CG 3.64Å; A215-L219 VanDerWaalsContact O-CB 3.26Å; A215-L219 WeakPolarHBondContact O-CB 3.4Å; A215-L219 WeakPolarHBondContact O-CG 3.47Å; A215-L219 PolarHBondContact O-N 3.22Å; H217-L219 VanDerWaalsContact C-N 3.3Å; H217-L219 PolarHBondContact O-N 3.19Å; L219-H221 VanDerWaalsContact C-N 3.29Å; L219-H221 PolarHBondContact O-N 3.46Å; L219-S222 CarbonylContact O-C 3.6Å; L219-S222 PolarHBondContact O-N 3.14Å; L219-L223 VanDerWaalsContact O-CB 3.29Å; L219-L223 WeakPolarHBondContact O-CB 3.44Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 3.38Å
220	G	96.1	Very high	93.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.1	-44.3	172.2	0	0	0	0	0	111.8	A216 H217 E218 L223 G224 L225	A216-G220 PolarHBondContact O-N 3.41Å; H217-G220 WeakPolarHBondContact O-CA 3.4Å; H217-G220 PolarHBondContact O-N 2.94Å; E218-G220 PolarHBondContact O-N 3.03Å; G220-L223 CarbonylContact O-C 3.57Å; G220-L223 PolarHBondContact O-N 3.03Å; G220-G224 PolarHBondContact O-N 2.95Å; G220-L225 VanDerWaalsContact O-CB 3.3Å; G220-L225 WeakPolarHBondContact O-CB 3.49Å; G220-L225 PolarHBondContact O-N 3.32Å
221	H	92.7	Very high	93.1	Very high	6 Å²	6	17 Å²	17	3%	0.028	10%	0.099	C	C	.	.	H	α-helix	trans	-64.6	-47	173	-71.9	-44.8	0	0	0	113	A183 H217 E218 L219 L223 G224 L225 H227 M235	A183-H221 HydrophobicContact CB-CB 3.79Å; H217-H221 AromaticContact CD2-CD2 3.85Å; H217-H221 AromaticContact CD2-NE2 3.82Å; H217-H221 AromaticContact NE2-CD2 3.82Å; H217-H221 AromaticContact NE2-NE2 3.28Å; H217-H221 PolarHBondContact NE2-NE2 3.3Å; H217-H221 PolarHBondContact O-N 3.46Å; E218-H221 WeakPolarHBondContact O-CA 3.12Å; E218-H221 WeakPolarHBondContact O-CB 3.35Å; E218-H221 PolarHBondContact O-N 3.01Å; E218-H221 IonicContact OE2-CD2 3.52Å; L219-H221 VanDerWaalsContact C-N 3.29Å; L219-H221 PolarHBondContact O-N 3.46Å; H221-L223 PolarHBondContact O-N 2.54Å; H221-L223 VanDerWaalsContact O-N 3.11Å; H221-G224 WeakPolarHBondContact O-CA 3.48Å; H221-G224 PolarHBondContact O-N 2.76Å; H221-L225 PolarHBondContact ND1-O 2.68Å; H221-H227 AromaticContact CE1-CD2 3.48Å; H221-H227 PolarHBondContact CE1-CD2 3.01Å; H221-H227 VanDerWaalsContact CE1-CD2 3.48Å; H221-H227 AromaticContact CE1-NE2 3.78Å; H221-H227 AromaticContact NE2-CD2 3.33Å; H221-H227 PolarHBondContact NE2-CD2 2.98Å; H221-H227 VanDerWaalsContact NE2-CD2 3.33Å; H221-H227 AromaticContact NE2-NE2 3.21Å; H221-H227 PolarHBondContact NE2-NE2 2.78Å; H221-M235 WeakPolarHBondContact CE1-CE 3.43Å; H221-M235 WeakPolarHBondContact ND1-CE 3.39Å
222	S	95.9	Very high	92.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.9	-22.6	173.5	-62.2	0	0	0	0	113.3	W108 Y184 P186 G192 I194 E218 L219	W108-S222 PolarHBondContact NE1-O 3.37Å; Y184-S222 WeakPolarHBondContact O-CA 3.47Å; P186-S222 WeakPolarHBondContact CD-O 3.34Å; P186-S222 VanDerWaalsContact CG-O 3.25Å; P186-S222 WeakPolarHBondContact CG-O 3.49Å; G192-S222 WeakPolarHBondContact O-CB 3.4Å; G192-S222 PolarHBondContact O-OG 2.84Å; I194-S222 WeakPolarHBondContact CD1-OG 3.21Å; I194-S222 WeakPolarHBondContact CG1-OG 3.36Å; E218-S222 PolarHBondContact O-N 3.35Å; E218-S222 PolarHBondContact O-OG 3.14Å; L219-S222 CarbonylContact O-C 3.6Å; L219-S222 PolarHBondContact O-N 3.14Å
223	L	95	Very high	92.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-6.3	174.1	-66.2	177.5	0	0	0	113.3	L113 W140 L146 F148 L219 G220 H221 I258 L261 Y262	L113-L223 HydrophobicContact CD1-CD2 3.51Å; W140-L223 HydrophobicContact CB-CD1 3.72Å; W140-L223 HydrophobicContact CD2-CD1 4.19Å; W140-L223 HydrophobicContact CG-CD1 3.66Å; L146-L223 HydrophobicContact CD1-CD1 3.96Å; L146-L223 HydrophobicContact CD1-CD2 3.65Å; L146-L223 HydrophobicContact CD1-CG 4.35Å; F148-L223 HydrophobicContact CE1-CD2 4.12Å; F148-L223 HydrophobicContact CZ-CD1 4.12Å; F148-L223 HydrophobicContact CZ-CD2 3.91Å; L219-L223 VanDerWaalsContact O-CB 3.29Å; L219-L223 WeakPolarHBondContact O-CB 3.44Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 3.38Å; G220-L223 CarbonylContact O-C 3.57Å; G220-L223 PolarHBondContact O-N 3.03Å; H221-L223 PolarHBondContact O-N 2.54Å; H221-L223 VanDerWaalsContact O-N 3.11Å; L223-I258 HydrophobicContact CB-CD1 3.76Å; L223-I258 HydrophobicContact CD1-CD1 4.04Å; L223-L261 WeakPolarHBondContact O-CD1 3.41Å; L223-Y262 HydrophobicContact CB-CE2 4.08Å; L223-Y262 WeakPolarHBondContact O-CE2 3.38Å; L223-Y262 VanDerWaalsContact O-CZ 3.27Å; L223-Y262 PolarHBondContact O-OH 3.3Å
224	G	88.3	Confident	92.1	Very high	3 Å²	3	24.1 Å²	24.1	3%	0.031	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.8	4.8	172	0	0	0	0	0	116.6	P106 G220 H221	P106-G224 WeakPolarHBondContact O-CA 3.31Å; G220-G224 PolarHBondContact O-N 2.95Å; H221-G224 WeakPolarHBondContact O-CA 3.48Å; H221-G224 PolarHBondContact O-N 2.76Å
225	L	88.1	Confident	92	Very high	18 Å²	18	24 Å²	24	9%	0.094	13%	0.133	C	C	.	.			trans	-74.6	154	172.9	-58.9	-179.8	0	0	0	110.8	W140 G220 H221 M235 I258 L261	W140-L225 HydrophobicContact CH2-CD1 3.27Å; W140-L225 HydrophobicContact CZ2-CD1 4.04Å; W140-L225 HydrophobicContact CZ3-CD1 3.56Å; G220-L225 VanDerWaalsContact O-CB 3.3Å; G220-L225 WeakPolarHBondContact O-CB 3.49Å; G220-L225 PolarHBondContact O-N 3.32Å; H221-L225 PolarHBondContact ND1-O 2.68Å; L225-M235 HydrophobicContact CB-CE 4.01Å; L225-M235 HydrophobicContact CB-CG 4.12Å; L225-M235 HydrophobicContact CB-SD 4.22Å; L225-M235 HydrophobicContact CD1-CG 3.82Å; L225-M235 HydrophobicContact CD1-SD 4.15Å; L225-I258 HydrophobicContact CD1-CB 4.16Å; L225-I258 HydrophobicContact CD1-CD1 3.99Å; L225-I258 HydrophobicContact CD2-CB 4.38Å; L225-I258 HydrophobicContact CD2-CD1 4.26Å; L225-I258 HydrophobicContact CG-CD1 3.97Å; L225-L261 HydrophobicContact CD2-CD1 3.85Å; L225-L261 HydrophobicContact CG-CD1 4.47Å
226	F	88.6	Confident	91.8	Very high	44 Å²	44	25.3 Å²	25.3	19%	0.193	14%	0.139	C	C	.	.			trans	-115	168.7	173.1	-159.3	-116.3	0	0	0	109.6	V93 P94 D95 F99 T101 S228	V93-F226 HydrophobicContact CG1-CE2 4.05Å; P94-F226 WeakPolarHBondContact O-CE2 3.34Å; P94-F226 WeakPolarHBondContact O-CZ 3.49Å; D95-F226 WeakPolarHBondContact O-CE1 3.42Å; F99-F226 HydrophobicContact CB-CD2 3.72Å; F99-F226 HydrophobicContact CB-CE2 3.75Å; F99-F226 HydrophobicContact CB-CG 4.45Å; F99-F226 HydrophobicContact CB-CZ 4.42Å; F99-F226 HydrophobicContact CD2-CD2 4.12Å; F99-F226 AromaticContact CD2-CE2 3.53Å; F99-F226 HydrophobicContact CD2-CE2 3.53Å; F99-F226 HydrophobicContact CD2-CZ 4.37Å; F99-F226 HydrophobicContact CG-CD2 4.26Å; F99-F226 HydrophobicContact CG-CE2 4.05Å; T101-F226 HydrophobicContact CG2-CB 4.44Å; F226-S228 PolarHBondContact O-N 2.78Å
227	H	90.9	Very high	91.6	Very high	12 Å²	12	25.4 Å²	25.4	6%	0.056	14%	0.14	C	C	.	.			trans	-57	134.7	178	-73.5	157.4	0	0	0	111.7	F69 R90 C91 V93 D95 H217 H221 M235	F69-H227 HydrophobicContact CE1-CB 4.16Å; F69-H227 HydrophobicContact CZ-CB 3.76Å; R90-H227 PolarHBondContact NH2-CE1 3.01Å; C91-H227 WeakPolarHBondContact CB-NE2 3.32Å; V93-H227 PolarHBondContact O-CE1 3.35Å; D95-H227 IonicContact OD1-CE1 3.48Å; D95-H227 IonicContact OD1-CG 3.58Å; D95-H227 IonicContact OD1-ND1 2.79Å; D95-H227 PolarHBondContact OD1-ND1 3.41Å; H217-H227 AromaticContact CE1-CD2 3.66Å; H217-H227 AromaticContact CE1-NE2 3.77Å; H217-H227 AromaticContact NE2-CD2 3.47Å; H217-H227 PolarHBondContact NE2-CD2 2.92Å; H217-H227 AromaticContact NE2-NE2 3.26Å; H217-H227 PolarHBondContact NE2-NE2 2.84Å; H221-H227 AromaticContact CE1-CD2 3.48Å; H221-H227 PolarHBondContact CE1-CD2 3.01Å; H221-H227 VanDerWaalsContact CE1-CD2 3.48Å; H221-H227 AromaticContact CE1-NE2 3.78Å; H221-H227 AromaticContact NE2-CD2 3.33Å; H221-H227 PolarHBondContact NE2-CD2 2.98Å; H221-H227 VanDerWaalsContact NE2-CD2 3.33Å; H221-H227 AromaticContact NE2-NE2 3.21Å; H221-H227 PolarHBondContact NE2-NE2 2.78Å; H227-M235 CarbonylContact C-O 3.26Å; H227-M235 VanDerWaalsContact CA-O 3.26Å; H227-M235 WeakPolarHBondContact CA-O 3.21Å
228	S	87.1	Confident	91.4	Very high	15 Å²	15	25.6 Å²	25.6	11%	0.105	14%	0.141	C	C	.	.			trans	-90.5	147.2	172.2	-175.3	0	0	0	0	110.7	F226 N230 M235 Y236 D253	F226-S228 PolarHBondContact O-N 2.78Å; S228-N230 VanDerWaalsContact C-N 3.29Å; S228-N230 WeakPolarHBondContact OG-CB 3.38Å; S228-N230 PolarHBondContact OG-N 3.13Å; S228-M235 PolarHBondContact N-O 2.83Å; S228-Y236 WeakPolarHBondContact O-CD2 3.41Å; S228-D253 VanDerWaalsContact CB-OD2 3.23Å; S228-D253 WeakPolarHBondContact CB-OD2 3.23Å; S228-D253 PolarHBondContact OG-OD2 2.86Å
229	A	86.9	Confident	91.1	Very high	55 Å²	55	27.5 Å²	27.5	46%	0.455	15%	0.148	S	C	.	.	S	Bend	trans	-84.8	-4.6	167.9	0	0	0	0	0	112.4	F69 T231	F69-A229 HydrophobicContact CD2-CB 4.37Å; F69-A229 HydrophobicContact CE2-CB 4.33Å; A229-T231 PolarHBondContact O-N 3.49Å
230	N	83.6	Confident	90.5	Very high	57 Å²	57	31.3 Å²	31.3	31%	0.305	17%	0.169	S	C	.	.			trans	-78.8	115.9	175.2	-178.5	-2.1	0	0	0	109.8	S228 E232 A233 Y236 D253	S228-N230 VanDerWaalsContact C-N 3.29Å; S228-N230 WeakPolarHBondContact OG-CB 3.38Å; S228-N230 PolarHBondContact OG-N 3.13Å; N230-E232 PolarHBondContact O-N 2.81Å; N230-E232 VanDerWaalsContact O-N 3.14Å; N230-E232 PolarHBondContact OD1-N 3.38Å; N230-A233 HydrophobicContact CB-CB 4.05Å; N230-A233 VanDerWaalsContact O-CB 3.32Å; N230-A233 WeakPolarHBondContact O-CB 2.84Å; N230-A233 PolarHBondContact O-N 3.23Å; N230-Y236 WeakPolarHBondContact O-CB 3.2Å; N230-D253 HydrophobicContact CB-CB 4.4Å
231	T	84.8	Confident	89.5	Confident	85 Å²	85	33.9 Å²	33.9	52%	0.521	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.7	-178.3	55.3	0	0	0	0	114.4	A229 Y236	A229-T231 PolarHBondContact O-N 3.49Å; T231-Y236 HydrophobicContact CG2-CD2 4.39Å; T231-Y236 HydrophobicContact CG2-CE1 4.34Å; T231-Y236 HydrophobicContact CG2-CE2 3.86Å
232	E	85.4	Confident	88.5	Confident	159 Å²	159	42.2 Å²	42.2	74%	0.743	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-8.6	176	-60.6	-177.3	168.7	0	0	112.9	N230	N230-E232 PolarHBondContact O-N 2.81Å; N230-E232 VanDerWaalsContact O-N 3.14Å; N230-E232 PolarHBondContact OD1-N 3.38Å
233	A	89.8	Confident	87.4	Confident	8 Å²	8	44.2 Å²	44.2	7%	0.066	24%	0.235	C	C	.	.	S	Bend	trans	-77	143.2	-179.9	0	0	0	0	0	111.4	N230 M235 Y236 S251 D253 D254	N230-A233 HydrophobicContact CB-CB 4.05Å; N230-A233 VanDerWaalsContact O-CB 3.32Å; N230-A233 WeakPolarHBondContact O-CB 2.84Å; N230-A233 PolarHBondContact O-N 3.23Å; A233-M235 PolarHBondContact O-N 3.01Å; A233-Y236 WeakPolarHBondContact O-CB 3.12Å; A233-Y236 PolarHBondContact O-N 2.92Å; A233-Y236 VanDerWaalsContact O-N 3.08Å; A233-S251 WeakPolarHBondContact CA-OG 3.33Å; A233-D253 HydrophobicContact CB-CB 4.31Å; A233-D254 WeakPolarHBondContact CA-OD2 3.38Å
234	L	93.8	Very high	86.4	Confident	23 Å²	23	50.2 Å²	50.2	12%	0.12	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-40.2	168.9	174.2	64.3	0	0	0	109.8	W140 A216 H217 Y236 F248 L250 D254	W140-L234 HydrophobicContact CH2-CD2 4.29Å; W140-L234 HydrophobicContact CZ2-CD2 3.7Å; A216-L234 HydrophobicContact CB-CD1 4.28Å; A216-L234 HydrophobicContact CB-CD2 3.68Å; H217-L234 HydrophobicContact CB-CD1 4.14Å; H217-L234 HydrophobicContact CB-CG 4.31Å; H217-L234 PolarHBondContact ND1-O 2.95Å; L234-Y236 PolarHBondContact O-N 3.31Å; L234-Y236 VanDerWaalsContact O-N 3.14Å; L234-F248 HydrophobicContact CB-CZ 4.25Å; L234-F248 HydrophobicContact CD1-CE2 4.16Å; L234-F248 HydrophobicContact CD1-CZ 3.85Å; L234-F248 HydrophobicContact CD2-CZ 4.01Å; L234-F248 HydrophobicContact CG-CZ 4.24Å; L234-L250 HydrophobicContact CB-CD2 4.1Å; L234-L250 HydrophobicContact CD2-CD2 3.56Å; L234-D254 VanDerWaalsContact N-CG 3.35Å; L234-D254 PolarHBondContact N-OD1 2.96Å; L234-D254 VanDerWaalsContact N-OD1 3.15Å; L234-D254 PolarHBondContact N-OD2 3.39Å
235	M	95.2	Very high	85.7	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.02	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	8.8	177.8	-62	-51.4	-56.5	0	0	114.4	W140 H217 H221 L225 H227 S228 A233 D254	W140-M235 HydrophobicContact CH2-CG 4.35Å; W140-M235 HydrophobicContact CH2-SD 4.28Å; W140-M235 HydrophobicContact CZ2-SD 4.1Å; H217-M235 VanDerWaalsContact O-SD 3.4Å; H221-M235 WeakPolarHBondContact CE1-CE 3.43Å; H221-M235 WeakPolarHBondContact ND1-CE 3.39Å; L225-M235 HydrophobicContact CB-CE 4.01Å; L225-M235 HydrophobicContact CB-CG 4.12Å; L225-M235 HydrophobicContact CB-SD 4.22Å; L225-M235 HydrophobicContact CD1-CG 3.82Å; L225-M235 HydrophobicContact CD1-SD 4.15Å; H227-M235 CarbonylContact C-O 3.26Å; H227-M235 VanDerWaalsContact CA-O 3.26Å; H227-M235 WeakPolarHBondContact CA-O 3.21Å; S228-M235 PolarHBondContact N-O 2.83Å; A233-M235 PolarHBondContact O-N 3.01Å; M235-D254 WeakPolarHBondContact CG-OD1 3.18Å; M235-D254 PolarHBondContact N-OD1 2.83Å
236	Y	93.9	Very high	84.9	Confident	28 Å²	28	58.3 Å²	58.3	11%	0.11	31%	0.311	C	S	.	.			trans	-68.1	133.7	168.8	-171.8	-112.5	0	0	0	110	L70 H217 S228 N230 T231 A233 L234 L238	L70-Y236 HydrophobicContact CD2-CE2 4.13Å; L70-Y236 PolarHBondContact O-OH 3.18Å; H217-Y236 PolarHBondContact CE1-O 2.9Å; H217-Y236 VanDerWaalsContact CE1-O 3.28Å; S228-Y236 WeakPolarHBondContact O-CD2 3.41Å; N230-Y236 WeakPolarHBondContact O-CB 3.2Å; T231-Y236 HydrophobicContact CG2-CD2 4.39Å; T231-Y236 HydrophobicContact CG2-CE1 4.34Å; T231-Y236 HydrophobicContact CG2-CE2 3.86Å; A233-Y236 WeakPolarHBondContact O-CB 3.12Å; A233-Y236 PolarHBondContact O-N 2.92Å; A233-Y236 VanDerWaalsContact O-N 3.08Å; L234-Y236 PolarHBondContact O-N 3.31Å; L234-Y236 VanDerWaalsContact O-N 3.14Å; Y236-L238 HydrophobicContact CD1-CB 4.09Å; Y236-L238 HydrophobicContact CD1-CG 4.47Å; Y236-L238 HydrophobicContact CE1-CB 3.7Å; Y236-L238 HydrophobicContact CE1-CD1 3.82Å; Y236-L238 HydrophobicContact CE1-CG 3.75Å; Y236-L238 PolarHBondContact O-N 3.4Å
237	P	94.1	Very high	84	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.019	34%	0.336	C	S	.	.	S	Bend	trans	-67.3	-28.7	-168.8	24.2	-36.9	0	0	0	115	F69 L70 R90 C91	F69-P237 HydrophobicContact CE1-CG 3.95Å; L70-P237 HydrophobicContact CD2-CG 3.61Å; R90-P237 CarbonylContact C-O 3.57Å; R90-P237 WeakPolarHBondContact CA-O 3.39Å; R90-P237 WeakPolarHBondContact CB-O 3.45Å; C91-P237 PolarHBondContact N-O 3.04Å
238	L	93	Very high	83.7	Confident	16 Å²	16	66.8 Å²	66.8	8%	0.084	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-86.1	133	-175.7	-50.6	178.6	0	0	0	110.6	L70 V85 K88 R90 Y236 N240	L70-L238 HydrophobicContact CD2-CD1 4.42Å; L70-L238 HydrophobicContact CD2-CG 4.28Å; V85-L238 HydrophobicContact CG1-CD1 3.69Å; K88-L238 HydrophobicContact CB-CD2 4.45Å; K88-L238 HydrophobicContact CD-CD1 4.41Å; R90-L238 HydrophobicContact CB-CD2 3.95Å; Y236-L238 HydrophobicContact CD1-CB 4.09Å; Y236-L238 HydrophobicContact CD1-CG 4.47Å; Y236-L238 HydrophobicContact CE1-CB 3.7Å; Y236-L238 HydrophobicContact CE1-CD1 3.82Å; Y236-L238 HydrophobicContact CE1-CG 3.75Å; Y236-L238 PolarHBondContact O-N 3.4Å; L238-N240 PolarHBondContact O-N 2.94Å
239	Y	91	Very high	83.4	Confident	41 Å²	41	76.5 Å²	76.5	16%	0.161	38%	0.377	C	S	.	.			trans	-67.3	131	176.3	178.5	-109.7	0	0	0	111.4	P89 L180 G208 T209 N210 L213 V214	P89-Y239 WeakPolarHBondContact O-CB 3.37Å; P89-Y239 PolarHBondContact O-N 3.39Å; L180-Y239 HydrophobicContact CD1-CD1 4.35Å; L180-Y239 HydrophobicContact CD1-CD2 4.02Å; L180-Y239 HydrophobicContact CD1-CG 3.73Å; G208-Y239 PolarHBondContact O-OH 2.91Å; T209-Y239 HydrophobicContact CG2-CE2 4.46Å; N210-Y239 WeakPolarHBondContact CB-OH 3.46Å; N210-Y239 PolarHBondContact N-OH 3.45Å; L213-Y239 HydrophobicContact CB-CE2 4.39Å; L213-Y239 HydrophobicContact CD1-CE2 4.31Å; V214-Y239 HydrophobicContact CG2-CD2 4.1Å; V214-Y239 HydrophobicContact CG2-CE2 4.15Å
240	N	85.8	Confident	83.6	Confident	81 Å²	81	75 Å²	75	43%	0.433	36%	0.361	S	S	.	.			trans	-110.9	99.4	177	-176.2	5.1	0	0	0	111.1	L238 F242 T243	L238-N240 PolarHBondContact O-N 2.94Å; N240-F242 PolarHBondContact O-N 3.44Å; N240-F242 WeakPolarHBondContact OD1-CB 3.18Å; N240-F242 PolarHBondContact OD1-N 3.25Å; N240-T243 PolarHBondContact O-N 3.43Å; N240-T243 PolarHBondContact O-OG1 3.34Å
241	S	74.9	Confident	83.8	Confident	54 Å²	54	73.1 Å²	73.1	38%	0.378	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-10.8	178.3	56.2	0	0	0	0	114.6
242	F	72.4	Confident	83.8	Confident	181 Å²	181	75 Å²	75	79%	0.794	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	7.1	179.7	-57.9	-75.1	0	0	0	113.7	N240 E244	N240-F242 PolarHBondContact O-N 3.44Å; N240-F242 WeakPolarHBondContact OD1-CB 3.18Å; N240-F242 PolarHBondContact OD1-N 3.25Å; F242-E244 PolarHBondContact O-N 2.89Å
243	T	73.9	Confident	83.7	Confident	42 Å²	42	70.6 Å²	70.6	26%	0.258	34%	0.336	S	S	.	.			trans	-63.7	126.5	-179.9	-56.9	0	0	0	0	110.9	L213 N240 L245 F248	L213-T243 HydrophobicContact CD1-CG2 4.11Å; L213-T243 HydrophobicContact CD2-CG2 4.03Å; N240-T243 PolarHBondContact O-N 3.43Å; N240-T243 PolarHBondContact O-OG1 3.34Å; T243-L245 PolarHBondContact O-N 3.08Å; T243-F248 HydrophobicContact CG2-CD2 3.83Å; T243-F248 HydrophobicContact CG2-CE2 4.42Å
244	E	72.8	Confident	83.5	Confident	126 Å²	126	70.3 Å²	70.3	59%	0.589	33%	0.334	S	S	*	.			trans	-72	92.5	176.8	-71.7	-167.2	177.1	0	0	111.4	F242 T246 R247 F248	F242-E244 PolarHBondContact O-N 2.89Å; E244-T246 PolarHBondContact O-N 3.04Å; E244-T246 VanDerWaalsContact O-N 3.14Å; E244-R247 PolarHBondContact O-N 3.41Å; E244-R247 VanDerWaalsContact O-N 3.12Å; E244-F248 PolarHBondContact O-N 3.21Å; E244-F248 VanDerWaalsContact O-N 3.16Å
245	L	73.9	Confident	83.1	Confident	54 Å²	54	70.1 Å²	70.1	28%	0.283	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-55.6	-33.4	-176.6	-62.4	172.5	0	0	0	114.2	N210 F212 L213 T243 R247	N210-L245 VanDerWaalsContact ND2-CD1 3.32Å; N210-L245 WeakPolarHBondContact ND2-CD1 3.39Å; F212-L245 HydrophobicContact CD1-CD2 4.35Å; L213-L245 HydrophobicContact CD1-CD2 3.6Å; L213-L245 HydrophobicContact CD2-CD2 3.92Å; L213-L245 HydrophobicContact CG-CD2 3.61Å; T243-L245 PolarHBondContact O-N 3.08Å; L245-R247 VanDerWaalsContact C-N 3.25Å; L245-R247 PolarHBondContact O-N 2.95Å
246	T	70.6	Confident	82.4	Confident	136 Å²	136	74.2 Å²	74.2	83%	0.834	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-74	-14.8	-176.9	59.3	0	0	0	0	114	E244	E244-T246 PolarHBondContact O-N 3.04Å; E244-T246 VanDerWaalsContact O-N 3.14Å
247	R	71.4	Confident	81.9	Confident	191 Å²	191	74 Å²	74	72%	0.721	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-128.1	15.5	-178.9	-68	-179.4	173.9	166.3	-1.7	112.3	E244 L245 R249	E244-R247 PolarHBondContact O-N 3.41Å; E244-R247 VanDerWaalsContact O-N 3.12Å; L245-R247 VanDerWaalsContact C-N 3.25Å; L245-R247 PolarHBondContact O-N 2.95Å; R247-R249 PolarHBondContact O-N 2.82Å
248	F	82.9	Confident	81.6	Confident	44 Å²	44	73.8 Å²	73.8	19%	0.193	36%	0.36	C	S	.	.			trans	-55.1	130.4	-178.2	178.8	-92.7	0	0	0	110.6	V139 F212 L213 L234 T243 E244 L250	V139-F248 HydrophobicContact CG1-CE1 3.95Å; V139-F248 HydrophobicContact CG2-CD1 4.23Å; V139-F248 HydrophobicContact CG2-CE1 3.98Å; F212-F248 HydrophobicContact CE1-CB 4.24Å; F212-F248 AromaticContact CE1-CD1 3.83Å; F212-F248 HydrophobicContact CE1-CD1 3.83Å; F212-F248 HydrophobicContact CE1-CE1 4.43Å; F212-F248 AromaticContact CE1-CG 3.96Å; F212-F248 HydrophobicContact CE1-CG 3.96Å; F212-F248 AromaticContact CZ-CD1 3.59Å; F212-F248 HydrophobicContact CZ-CD1 3.59Å; F212-F248 HydrophobicContact CZ-CE1 4.02Å; F212-F248 HydrophobicContact CZ-CG 4.2Å; L213-F248 HydrophobicContact CD2-CD2 3.66Å; L213-F248 HydrophobicContact CD2-CE2 3.78Å; L213-F248 HydrophobicContact CD2-CG 4.27Å; L213-F248 HydrophobicContact CD2-CZ 4.49Å; L234-F248 HydrophobicContact CB-CZ 4.25Å; L234-F248 HydrophobicContact CD1-CE2 4.16Å; L234-F248 HydrophobicContact CD1-CZ 3.85Å; L234-F248 HydrophobicContact CD2-CZ 4.01Å; L234-F248 HydrophobicContact CG-CZ 4.24Å; T243-F248 HydrophobicContact CG2-CD2 3.83Å; T243-F248 HydrophobicContact CG2-CE2 4.42Å; E244-F248 PolarHBondContact O-N 3.21Å; E244-F248 VanDerWaalsContact O-N 3.16Å; F248-L250 HydrophobicContact CZ-CD2 4.5Å
249	R	82.4	Confident	81.5	Confident	218 Å²	218	75.7 Å²	75.7	82%	0.823	37%	0.369	S	S	*	.			trans	-143.3	146.4	174	-70.1	-175.2	174.7	-176.8	-3.3	108	R247 S251	R247-R249 PolarHBondContact O-N 2.82Å; R249-S251 PolarHBondContact O-N 2.96Å
250	L	89.3	Confident	81.1	Confident	24 Å²	24	77.3 Å²	77.3	13%	0.126	39%	0.386	C	S	.	.			trans	-56.9	138.9	168.7	-69.8	177.1	0	0	0	110.2	V139 W140 V143 L234 F248 D254 V255	V139-L250 HydrophobicContact CG1-CD1 3.73Å; V139-L250 HydrophobicContact CG1-CD2 3.46Å; V139-L250 VanDerWaalsContact CG1-CD2 3.46Å; V139-L250 HydrophobicContact CG1-CG 3.43Å; V139-L250 VanDerWaalsContact CG1-CG 3.43Å; V139-L250 WeakPolarHBondContact O-CD1 3.34Å; W140-L250 HydrophobicContact CD2-CD1 4.41Å; W140-L250 HydrophobicContact CE3-CD1 3.7Å; W140-L250 HydrophobicContact CE3-CD2 4.46Å; W140-L250 HydrophobicContact CH2-CD1 4.44Å; W140-L250 HydrophobicContact CH2-CD2 3.87Å; W140-L250 HydrophobicContact CZ2-CD2 4.23Å; W140-L250 HydrophobicContact CZ3-CD1 3.71Å; W140-L250 HydrophobicContact CZ3-CD2 3.99Å; V143-L250 HydrophobicContact CG1-CD1 4.34Å; V143-L250 HydrophobicContact CG2-CD1 3.55Å; L234-L250 HydrophobicContact CB-CD2 4.1Å; L234-L250 HydrophobicContact CD2-CD2 3.56Å; F248-L250 HydrophobicContact CZ-CD2 4.5Å; L250-D254 HydrophobicContact CB-CB 4.08Å; L250-D254 HydrophobicContact CD2-CB 3.9Å; L250-D254 HydrophobicContact CG-CB 4.42Å; L250-V255 HydrophobicContact CB-CG2 3.79Å; L250-V255 HydrophobicContact CD1-CG2 4.38Å
251	S	87.8	Confident	80.9	Confident	17 Å²	17	74 Å²	74	12%	0.119	37%	0.368	C	S	.	.			trans	-67.1	161.3	169.6	77.9	0	0	0	0	109.5	A233 R249 D253 D254 V255	A233-S251 WeakPolarHBondContact CA-OG 3.33Å; R249-S251 PolarHBondContact O-N 2.96Å; S251-D253 PolarHBondContact O-N 2.86Å; S251-D253 PolarHBondContact OG-N 3.34Å; S251-D254 VanDerWaalsContact CB-OD2 3.29Å; S251-D254 WeakPolarHBondContact CB-OD2 3.42Å; S251-D254 PolarHBondContact N-OD2 3.48Å; S251-D254 PolarHBondContact O-N 3.39Å; S251-D254 VanDerWaalsContact OG-CG 3.29Å; S251-D254 PolarHBondContact OG-N 3.19Å; S251-D254 PolarHBondContact OG-OD2 3.07Å; S251-V255 WeakPolarHBondContact O-CG2 3.25Å; S251-V255 PolarHBondContact O-N 3.05Å
252	Q	84.8	Confident	81.4	Confident	126 Å²	126	72.6 Å²	72.6	59%	0.589	36%	0.355	S	S	*	.	H	α-helix	trans	-62	-26.1	174.5	-168.3	60	58.6	0	0	112	N256	Q252-N256 PolarHBondContact NE2-OD1 3.19Å; Q252-N256 VanDerWaalsContact O-CB 3.25Å; Q252-N256 WeakPolarHBondContact O-CB 3.02Å; Q252-N256 PolarHBondContact O-N 3.23Å; Q252-N256 PolarHBondContact O-ND2 2.87Å; Q252-N256 VanDerWaalsContact O-ND2 3.14Å; Q252-N256 PolarHBondContact O-OD1 3.36Å
253	D	83.9	Confident	82.2	Confident	65 Å²	65	65 Å²	65	35%	0.348	33%	0.327	S	S	.	.	H	α-helix	trans	-66.6	-46.2	175.8	-170.3	69.7	0	0	0	111.4	S228 N230 A233 S251 V255 N256 G257	S228-D253 VanDerWaalsContact CB-OD2 3.23Å; S228-D253 WeakPolarHBondContact CB-OD2 3.23Å; S228-D253 PolarHBondContact OG-OD2 2.86Å; N230-D253 HydrophobicContact CB-CB 4.4Å; A233-D253 HydrophobicContact CB-CB 4.31Å; S251-D253 PolarHBondContact O-N 2.86Å; S251-D253 PolarHBondContact OG-N 3.34Å; D253-V255 PolarHBondContact O-N 2.9Å; D253-N256 PolarHBondContact O-N 3.26Å; D253-G257 PolarHBondContact O-N 3.19Å
254	D	85.4	Confident	82.9	Confident	2 Å²	2	67 Å²	67	1%	0.011	34%	0.341	C	S	.	.	H	α-helix	trans	-62.5	-44.8	175.5	-54.6	-62.5	0	0	0	111.3	W140 A233 L234 M235 L250 S251 G257 I258	W140-D254 HydrophobicContact CH2-CB 4.12Å; W140-D254 HydrophobicContact CZ3-CB 4.25Å; A233-D254 WeakPolarHBondContact CA-OD2 3.38Å; L234-D254 VanDerWaalsContact N-CG 3.35Å; L234-D254 PolarHBondContact N-OD1 2.96Å; L234-D254 VanDerWaalsContact N-OD1 3.15Å; L234-D254 PolarHBondContact N-OD2 3.39Å; M235-D254 WeakPolarHBondContact CG-OD1 3.18Å; M235-D254 PolarHBondContact N-OD1 2.83Å; L250-D254 HydrophobicContact CB-CB 4.08Å; L250-D254 HydrophobicContact CD2-CB 3.9Å; L250-D254 HydrophobicContact CG-CB 4.42Å; S251-D254 VanDerWaalsContact CB-OD2 3.29Å; S251-D254 WeakPolarHBondContact CB-OD2 3.42Å; S251-D254 PolarHBondContact N-OD2 3.48Å; S251-D254 PolarHBondContact O-N 3.39Å; S251-D254 VanDerWaalsContact OG-CG 3.29Å; S251-D254 PolarHBondContact OG-N 3.19Å; S251-D254 PolarHBondContact OG-OD2 3.07Å; D254-G257 PolarHBondContact O-N 3.5Å; D254-I258 WeakPolarHBondContact O-CG2 3.32Å; D254-I258 PolarHBondContact O-N 3.27Å
255	V	85.3	Confident	83.6	Confident	20 Å²	20	63.6 Å²	63.6	12%	0.121	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-46.5	177.9	175	0	0	0	0	110.7	V143 L250 S251 D253 G257 I258 Q259	V143-V255 HydrophobicContact CG1-CG2 4.22Å; L250-V255 HydrophobicContact CB-CG2 3.79Å; L250-V255 HydrophobicContact CD1-CG2 4.38Å; S251-V255 WeakPolarHBondContact O-CG2 3.25Å; S251-V255 PolarHBondContact O-N 3.05Å; D253-V255 PolarHBondContact O-N 2.9Å; V255-G257 VanDerWaalsContact C-N 3.33Å; V255-G257 PolarHBondContact O-N 3.19Å; V255-I258 WeakPolarHBondContact O-CG2 3.5Å; V255-Q259 HydrophobicContact CG1-CG 4.24Å; V255-Q259 WeakPolarHBondContact O-CB 3.4Å; V255-Q259 WeakPolarHBondContact O-CG 3.4Å; V255-Q259 PolarHBondContact O-N 2.61Å
256	N	81.6	Confident	83.8	Confident	90 Å²	90	65.9 Å²	65.9	48%	0.481	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-43	177.3	-69.8	-16.4	0	0	0	111.2	Q252 D253 S260	Q252-N256 PolarHBondContact NE2-OD1 3.19Å; Q252-N256 VanDerWaalsContact O-CB 3.25Å; Q252-N256 WeakPolarHBondContact O-CB 3.02Å; Q252-N256 PolarHBondContact O-N 3.23Å; Q252-N256 PolarHBondContact O-ND2 2.87Å; Q252-N256 VanDerWaalsContact O-ND2 3.14Å; Q252-N256 PolarHBondContact O-OD1 3.36Å; D253-N256 PolarHBondContact O-N 3.26Å; N256-S260 WeakPolarHBondContact O-CB 3.06Å; N256-S260 PolarHBondContact O-N 2.84Å
257	G	82.1	Confident	83.3	Confident	22 Å²	22	64.1 Å²	64.1	23%	0.227	35%	0.347	C	S	.	.	H	α-helix	trans	-58.1	-55.7	177.3	0	0	0	0	0	111.4	D253 D254 V255 Q259 S260	D253-G257 PolarHBondContact O-N 3.19Å; D254-G257 PolarHBondContact O-N 3.5Å; V255-G257 VanDerWaalsContact C-N 3.33Å; V255-G257 PolarHBondContact O-N 3.19Å; G257-Q259 PolarHBondContact O-N 3.03Å; G257-S260 WeakPolarHBondContact O-CB 3.12Å; G257-S260 PolarHBondContact O-N 3.08Å; G257-S260 PolarHBondContact O-OG 3.37Å
258	I	89.3	Confident	82	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-70.3	-37.5	-174.6	-161	70	0	0	0	112.3	W140 V143 T144 L223 L225 D254 V255 S260 L261 Y262	W140-I258 HydrophobicContact CE3-CB 3.86Å; W140-I258 HydrophobicContact CE3-CD1 4.09Å; W140-I258 HydrophobicContact CE3-CG1 3.71Å; W140-I258 HydrophobicContact CE3-CG2 3.93Å; W140-I258 HydrophobicContact CZ3-CB 3.73Å; W140-I258 HydrophobicContact CZ3-CD1 4.35Å; W140-I258 HydrophobicContact CZ3-CG1 4.06Å; W140-I258 HydrophobicContact CZ3-CG2 3.91Å; V143-I258 HydrophobicContact CG2-CG2 3.77Å; T144-I258 HydrophobicContact CG2-CB 4.22Å; T144-I258 HydrophobicContact CG2-CG1 3.5Å; T144-I258 HydrophobicContact CG2-CG2 3.75Å; L223-I258 HydrophobicContact CB-CD1 3.76Å; L223-I258 HydrophobicContact CD1-CD1 4.04Å; L225-I258 HydrophobicContact CD1-CB 4.16Å; L225-I258 HydrophobicContact CD1-CD1 3.99Å; L225-I258 HydrophobicContact CD2-CB 4.38Å; L225-I258 HydrophobicContact CD2-CD1 4.26Å; L225-I258 HydrophobicContact CG-CD1 3.97Å; D254-I258 WeakPolarHBondContact O-CG2 3.32Å; D254-I258 PolarHBondContact O-N 3.27Å; V255-I258 WeakPolarHBondContact O-CG2 3.5Å; I258-S260 VanDerWaalsContact C-N 3.25Å; I258-S260 PolarHBondContact O-N 3.14Å; I258-L261 WeakPolarHBondContact O-CB 3.4Å; I258-L261 PolarHBondContact O-N 3.04Å; I258-Y262 HydrophobicContact CD1-CD2 3.73Å; I258-Y262 HydrophobicContact CD1-CE2 3.72Å; I258-Y262 HydrophobicContact CG1-CD2 3.97Å; I258-Y262 HydrophobicContact CG1-CE2 4.46Å; I258-Y262 PolarHBondContact O-N 3.37Å
259	Q	90.6	Very high	79.9	Confident	56 Å²	56	64.9 Å²	64.9	26%	0.262	38%	0.382	S	S	.	.	H	α-helix	trans	-70.9	-22.9	176	-68	-176.7	-4	0	0	112.1	V143 V255 G257 L261 G263	V143-Q259 VanDerWaalsContact O-CG 3.24Å; V143-Q259 WeakPolarHBondContact O-CG 3.36Å; V143-Q259 PolarHBondContact O-NE2 2.62Å; V255-Q259 HydrophobicContact CG1-CG 4.24Å; V255-Q259 WeakPolarHBondContact O-CB 3.4Å; V255-Q259 WeakPolarHBondContact O-CG 3.4Å; V255-Q259 PolarHBondContact O-N 2.61Å; G257-Q259 PolarHBondContact O-N 3.03Å; Q259-L261 PolarHBondContact O-N 3.14Å; Q259-G263 WeakPolarHBondContact O-CA 3.48Å; Q259-G263 PolarHBondContact O-N 2.04Å
260	S	82.7	Confident	78	Confident	74 Å²	74	62.9 Å²	62.9	52%	0.517	38%	0.381	S	S	.	.	H	α-helix	trans	-65.6	-26.7	170	83.4	0	0	0	0	112.5	N256 G257 I258	N256-S260 WeakPolarHBondContact O-CB 3.06Å; N256-S260 PolarHBondContact O-N 2.84Å; G257-S260 WeakPolarHBondContact O-CB 3.12Å; G257-S260 PolarHBondContact O-N 3.08Å; G257-S260 PolarHBondContact O-OG 3.37Å; I258-S260 VanDerWaalsContact C-N 3.25Å; I258-S260 PolarHBondContact O-N 3.14Å
261	L	81	Confident	75.4	Confident	12 Å²	12	70.9 Å²	70.9	6%	0.063	42%	0.418	C	S	.	.	H	α-helix	trans	-88.4	-46.9	179	-59.4	179.9	0	0	0	112.2	G104 K107 L223 L225 I258 Q259	G104-L261 VanDerWaalsContact N-CD2 3.34Å; K107-L261 HydrophobicContact CB-CB 4.46Å; K107-L261 WeakPolarHBondContact CD-O 3.39Å; K107-L261 PolarHBondContact NZ-O 3.18Å; L223-L261 WeakPolarHBondContact O-CD1 3.41Å; L225-L261 HydrophobicContact CD2-CD1 3.85Å; L225-L261 HydrophobicContact CG-CD1 4.47Å; I258-L261 WeakPolarHBondContact O-CB 3.4Å; I258-L261 PolarHBondContact O-N 3.04Å; Q259-L261 PolarHBondContact O-N 3.14Å
262	Y	86.4	Confident	73	Confident	25 Å²	25	75.1 Å²	75.1	10%	0.098	45%	0.445	C	S	.	.	H	α-helix	trans	-114.8	-12.7	-168.4	-59.5	-72.6	0	0	0	114.7	K107 W108 P145 L146 L223 I258	K107-Y262 HydrophobicContact CB-CE1 4.22Å; W108-Y262 HydrophobicContact CB-CE1 4.2Å; W108-Y262 PolarHBondContact N-OH 3.28Å; P145-Y262 VanDerWaalsContact CD-O 3.3Å; P145-Y262 WeakPolarHBondContact CD-O 3.39Å; P145-Y262 WeakPolarHBondContact CG-O 3.25Å; L146-Y262 HydrophobicContact CD1-CD1 4.15Å; L146-Y262 HydrophobicContact CD1-CD2 3.74Å; L146-Y262 HydrophobicContact CD1-CE1 4.27Å; L146-Y262 HydrophobicContact CD1-CE2 3.89Å; L146-Y262 HydrophobicContact CD1-CG 3.87Å; L146-Y262 HydrophobicContact CD2-CD1 3.49Å; L146-Y262 VanDerWaalsContact CD2-CD1 3.49Å; L146-Y262 HydrophobicContact CD2-CE1 3.77Å; L146-Y262 HydrophobicContact CD2-CG 3.93Å; L146-Y262 HydrophobicContact CG-CD1 4Å; L146-Y262 HydrophobicContact CG-CD2 4.28Å; L146-Y262 HydrophobicContact CG-CE1 4.46Å; L146-Y262 HydrophobicContact CG-CG 3.9Å; L223-Y262 HydrophobicContact CB-CE2 4.08Å; L223-Y262 WeakPolarHBondContact O-CE2 3.38Å; L223-Y262 VanDerWaalsContact O-CZ 3.27Å; L223-Y262 PolarHBondContact O-OH 3.3Å; I258-Y262 HydrophobicContact CD1-CD2 3.73Å; I258-Y262 HydrophobicContact CD1-CE2 3.72Å; I258-Y262 HydrophobicContact CG1-CD2 3.97Å; I258-Y262 HydrophobicContact CG1-CE2 4.46Å; I258-Y262 PolarHBondContact O-N 3.37Å
263	G	87.4	Confident	70.8	Confident	20 Å²	20	77.7 Å²	77.7	21%	0.206	46%	0.462	C	S	.	.			trans	82.7	169.7	-172.5	0	0	0	0	0	113.4	P145 Q259	P145-G263 WeakPolarHBondContact CD-O 3.34Å; Q259-G263 WeakPolarHBondContact O-CA 3.48Å; Q259-G263 PolarHBondContact O-N 2.04Å
264	P	89.6	Confident	68.4	Low	85 Å²	85	80.3 Å²	80.3	55%	0.552	48%	0.48	S	S	*	.	S	Bend	trans	-71.2	161.6	174.4	31.7	-35.6	0	0	0	111.6
265	P	87.6	Confident	66.2	Low	54 Å²	54	86.2 Å²	86.2	35%	0.351	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-61.2	147.7	176.9	27	-32.9	0	0	0	110.4	V143 A267	V143-P265 WeakPolarHBondContact O-CD 3.43Å; P265-A267 PolarHBondContact O-N 3.47Å
266	P	76.8	Confident	63.6	Low	103 Å²	103	90.8 Å²	90.8	67%	0.669	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-59.9	132.1	176.1	23.7	-30.2	0	0	0	109.6	S268	P266-S268 PolarHBondContact O-N 2.86Å; P266-S268 VanDerWaalsContact O-N 3.08Å
267	A	61.6	Low	61.2	Low	98 Å²	98	95.3 Å²	95.3	81%	0.81	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-55.3	118.8	-179.8	0	0	0	0	0	109.8	P265 T269	P265-A267 PolarHBondContact O-N 3.47Å; A267-T269 PolarHBondContact O-N 3.33Å; A267-T269 VanDerWaalsContact O-N 3.14Å
268	S	42.7	Very low	59	Low	110 Å²	110	100.3 Å²	100.3	77%	0.769	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-60.3	117.3	177	49	0	0	0	0	109.2	P266 E270	P266-S268 PolarHBondContact O-N 2.86Å; P266-S268 VanDerWaalsContact O-N 3.08Å; S268-E270 PolarHBondContact O-N 3.48Å
269	T	40.3	Very low	56.3	Low	142 Å²	142	106.6 Å²	106.6	87%	0.871	63%	0.632	S	S	*	*	S	Bend	trans	-69.8	79.1	169.5	43.3	0	0	0	0	109.1	A267	A267-T269 PolarHBondContact O-N 3.33Å; A267-T269 VanDerWaalsContact O-N 3.14Å
270	E	42.7	Very low	53.8	Low	176 Å²	176	109.7 Å²	109.7	82%	0.822	66%	0.657	S	S	*	*			trans	-166.2	87.3	161.9	-110.5	173.4	-147.2	0	0	109	S268	S268-E270 PolarHBondContact O-N 3.48Å
271	E	33.4	Very low	51.8	Low	192 Å²	192	111.7 Å²	111.7	90%	0.897	67%	0.671	S	S	*	*	S	Bend	trans	179	156.1	133.5	-96.1	-149.7	152.7	0	0	112
272	P	38.8	Very low	49.6	Very low	106 Å²	106	114.4 Å²	114.4	69%	0.688	70%	0.702	S	S	*	*			trans	-79.2	148.6	-145.6	-12.5	28.3	0	0	0	115.7	V274	P272-V274 PolarHBondContact O-N 2.84Å
273	L	38.6	Very low	47.4	Very low	180 Å²	180	115.5 Å²	115.5	94%	0.942	71%	0.713	S	S	*	*			trans	-46.9	104.8	171.6	-66.9	162	0	0	0	112.7
274	V	32.8	Very low	46.1	Very low	119 Å²	119	125.1 Å²	125.1	72%	0.721	74%	0.743	S	S	*	*			trans	-104.7	118.1	156.3	-173.9	0	0	0	0	107.8	P272 T276	P272-V274 PolarHBondContact O-N 2.84Å; V274-T276 PolarHBondContact O-N 3.06Å
275	P	38.1	Very low	44.9	Very low	126 Å²	126	125 Å²	125	82%	0.818	74%	0.741	S	S	*	*			trans	-76.6	98.6	-176.2	29.6	-30.8	0	0	0	109.3
276	T	30.5	Very low	44.4	Very low	117 Å²	117	123.3 Å²	123.3	72%	0.718	73%	0.73	S	S	*	*			trans	-122.8	99	170.1	-39.8	0	0	0	0	109.9	V274	V274-T276 PolarHBondContact O-N 3.06Å
277	K	31.2	Very low	44.7	Very low	185 Å²	185	121 Å²	121	80%	0.804	72%	0.719	S	S	*	*			trans	24.1	115.2	153.9	-67.5	-179.9	177.3	177.9	0	117.1	V279	K277-V279 PolarHBondContact O-N 3.38Å
278	S	37.4	Very low	45.8	Very low	127 Å²	127	119 Å²	119	89%	0.888	69%	0.693	S	S	*	*			trans	-27.3	112.8	159.4	53.5	0	0	0	0	114.4
279	V	31.1	Very low	48	Very low	131 Å²	131	117.2 Å²	117.2	79%	0.794	68%	0.679	S	S	*	*			trans	-112.2	136.7	158.1	179.3	0	0	0	0	107	K277	K277-V279 PolarHBondContact O-N 3.38Å
280	P	38.4	Very low	50.4	Low	122 Å²	122	113.8 Å²	113.8	79%	0.792	66%	0.655	S	S	*	*			trans	-70.4	144.5	-167.1	-12.6	28.2	0	0	0	112.8	G282	P280-G282 PolarHBondContact O-N 2.82Å
281	S	40.4	Very low	52.5	Low	116 Å²	116	109.2 Å²	109.2	81%	0.811	64%	0.641	S	S	*	*			trans	-37.3	113.4	176.5	-161.1	0	0	0	0	114
282	G	35	Very low	55.3	Low	69 Å²	69	103.1 Å²	103.1	71%	0.711	62%	0.623	S	S	*	*			trans	-74.7	137.6	171	0	0	0	0	0	111.6	P280 R284	P280-G282 PolarHBondContact O-N 2.82Å; G282-R284 PolarHBondContact O-N 2.72Å
283	S	40.9	Very low	57.9	Low	48 Å²	48	98.4 Å²	98.4	34%	0.336	59%	0.592	S	S	.	*			trans	-42.7	117.1	-165.9	66.4	0	0	0	0	115.6
284	R	60.9	Low	60.7	Low	222 Å²	222	91.3 Å²	91.3	84%	0.838	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-65.9	135.3	164.7	-67	173.1	110.6	163.4	1.8	109	G282 P286	G282-R284 PolarHBondContact O-N 2.72Å; R284-P286 WeakPolarHBondContact O-CD 3.16Å
285	T	64.5	Low	63.7	Low	83 Å²	83	85.8 Å²	85.8	51%	0.509	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-55.1	126.5	171	-51.7	0	0	0	0	109.4	A287 Y312 F325	T285-A287 PolarHBondContact O-N 3.42Å; T285-Y312 HydrophobicContact CG2-CE1 4.46Å; T285-Y312 HydrophobicContact CG2-CE2 4.43Å; T285-F325 HydrophobicContact CG2-CE1 3.57Å; T285-F325 HydrophobicContact CG2-CZ 3.87Å
286	P	76.9	Confident	66.5	Low	17 Å²	17	81.4 Å²	81.4	11%	0.11	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-56.4	122.5	178.5	-28.5	36.3	0	0	0	111.8	R284 L293 K309 D310 Y312 W314	R284-P286 WeakPolarHBondContact O-CD 3.16Å; P286-L293 HydrophobicContact CB-CD1 4.05Å; P286-K309 HydrophobicContact CB-CB 4.46Å; P286-K309 HydrophobicContact CB-CG 3.87Å; P286-K309 HydrophobicContact CG-CB 4.2Å; P286-K309 HydrophobicContact CG-CG 3.57Å; P286-D310 WeakPolarHBondContact CG-OD2 3.4Å; P286-Y312 HydrophobicContact CG-CD2 4.26Å; P286-W314 HydrophobicContact CB-CH2 3.49Å; P286-W314 VanDerWaalsContact CB-CH2 3.49Å; P286-W314 HydrophobicContact CB-CZ2 4.23Å; P286-W314 HydrophobicContact CB-CZ3 4.32Å
287	A	81.8	Confident	69.8	Low	55 Å²	55	75.9 Å²	75.9	46%	0.455	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-83.9	123	-179.9	0	0	0	0	0	111	T285 C289 D290	T285-A287 PolarHBondContact O-N 3.42Å; A287-C289 VanDerWaalsContact C-N 3.32Å; A287-C289 PolarHBondContact O-N 3.01Å; A287-D290 HydrophobicContact CB-CB 3.98Å; A287-D290 WeakPolarHBondContact O-CB 3.13Å; A287-D290 PolarHBondContact O-N 3.13Å
288	K	85.5	Confident	72.9	Confident	57 Å²	57	67.2 Å²	67.2	25%	0.248	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-46.7	-175.2	-169.9	179.7	77.9	157.1	0	113.5	L293 W314 E322 N471 L474 C476	K288-L293 WeakPolarHBondContact O-CD2 3.21Å; K288-W314 HydrophobicContact CB-CZ2 4.29Å; K288-E322 IonicContact NZ-OE2 2.77Å; K288-E322 PolarHBondContact NZ-OE2 3.18Å; K288-N471 WeakPolarHBondContact O-CB 3.22Å; K288-L474 HydrophobicContact CD-CB 4.14Å; K288-L474 WeakPolarHBondContact CE-O 3.03Å; K288-L474 HydrophobicContact CG-CB 3.73Å; K288-L474 HydrophobicContact CG-CD1 3.88Å; K288-L474 HydrophobicContact CG-CG 4.44Å; K288-L474 PolarHBondContact NZ-O 3.42Å; K288-C476 PolarHBondContact O-SG 3.41Å
289	C	89.3	Confident	75.7	Confident	72 Å²	72	61.3 Å²	61.3	49%	0.486	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	20.1	-178.3	-61.1	0	0	0	0	114	A287 P291 C476	A287-C289 VanDerWaalsContact C-N 3.32Å; A287-C289 PolarHBondContact O-N 3.01Å; C289-P291 WeakPolarHBondContact O-CD 3.05Å; C289-C476 WeakPolarHBondContact CA-SG 3.37Å; C289-C476 HydrophobicContact CB-CB 3.74Å; C289-C476 WeakPolarHBondContact CB-SG 3.29Å; C289-C476 WeakPolarHBondContact SG-CB 3.42Å; C289-C476 CovalentContact SG-SG 2.04Å; C289-C476 PolarHBondContact SG-SG 3.2Å
290	D	89.6	Confident	78.6	Confident	69 Å²	69	56.4 Å²	56.4	37%	0.369	35%	0.352	S	S	.	.			trans	-65.7	121.6	169.5	-172.4	-20.5	0	0	0	109.2	A287 A292 L293 N471	A287-D290 HydrophobicContact CB-CB 3.98Å; A287-D290 WeakPolarHBondContact O-CB 3.13Å; A287-D290 PolarHBondContact O-N 3.13Å; D290-A292 PolarHBondContact O-N 2.86Å; D290-A292 VanDerWaalsContact O-N 3.08Å; D290-A292 WeakPolarHBondContact OD1-CB 3.24Å; D290-A292 PolarHBondContact OD1-N 2.99Å; D290-L293 HydrophobicContact CB-CB 4.37Å; D290-L293 WeakPolarHBondContact O-CB 3.23Å; D290-L293 PolarHBondContact O-N 2.96Å; D290-N471 PolarHBondContact O-ND2 3.02Å; D290-N471 VanDerWaalsContact O-ND2 3.14Å
291	P	88.4	Confident	81	Confident	81 Å²	81	51.3 Å²	51.3	53%	0.526	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-10.2	177.8	28.5	-37.2	0	0	0	113.8	C289 S452 K469	C289-P291 WeakPolarHBondContact O-CD 3.05Å; P291-S452 WeakPolarHBondContact O-CB 3.24Å; P291-K469 PolarHBondContact O-NZ 2.99Å
292	A	91.9	Very high	83	Confident	63 Å²	63	53.3 Å²	53.3	52%	0.521	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	0.9	172.9	0	0	0	0	0	113.6	D290 S294	D290-A292 PolarHBondContact O-N 2.86Å; D290-A292 VanDerWaalsContact O-N 3.08Å; D290-A292 WeakPolarHBondContact OD1-CB 3.24Å; D290-A292 PolarHBondContact OD1-N 2.99Å; A292-S294 PolarHBondContact O-N 3.06Å
293	L	93.4	Very high	85.2	Confident	8 Å²	8	51.5 Å²	51.5	4%	0.042	29%	0.289	C	S	.	.			trans	-55.1	136.5	179.5	-178.6	61.5	0	0	0	110.6	P286 K288 D290 F295 K309 W314 S452 S470 N471 L474	P286-L293 HydrophobicContact CB-CD1 4.05Å; K288-L293 WeakPolarHBondContact O-CD2 3.21Å; D290-L293 HydrophobicContact CB-CB 4.37Å; D290-L293 WeakPolarHBondContact O-CB 3.23Å; D290-L293 PolarHBondContact O-N 2.96Å; L293-F295 HydrophobicContact CD2-CE1 3.81Å; L293-F295 HydrophobicContact CD2-CZ 3.84Å; L293-F295 HydrophobicContact CG-CE1 4.12Å; L293-F295 HydrophobicContact CG-CZ 4.27Å; L293-K309 HydrophobicContact CD1-CG 4.41Å; L293-W314 HydrophobicContact CD1-CH2 3.63Å; L293-W314 HydrophobicContact CD1-CZ3 4.07Å; L293-W314 HydrophobicContact CD2-CH2 3.73Å; L293-W314 HydrophobicContact CD2-CZ2 4.24Å; L293-W314 HydrophobicContact CD2-CZ3 4.1Å; L293-W314 HydrophobicContact CG-CH2 4.33Å; L293-S452 VanDerWaalsContact O-CA 3.29Å; L293-S452 WeakPolarHBondContact O-CA 3.42Å; L293-S470 PolarHBondContact O-OG 2.9Å; L293-N471 HydrophobicContact CB-CB 4.42Å; L293-N471 HydrophobicContact CD2-CB 3.97Å; L293-L474 HydrophobicContact CD2-CD1 3.78Å
294	S	95.8	Very high	87.4	Confident	31 Å²	31	50.5 Å²	50.5	22%	0.217	28%	0.279	C	S	.	.			trans	-131.1	164.1	171.2	49.1	0	0	0	0	108.2	A292 K309 G451	A292-S294 PolarHBondContact O-N 3.06Å; S294-K309 VanDerWaalsContact O-CD 3.23Å; S294-K309 WeakPolarHBondContact O-CD 3.46Å; S294-G451 WeakPolarHBondContact CA-O 3.22Å; S294-G451 WeakPolarHBondContact CB-O 3.42Å
295	F	97.1	Very high	88.8	Confident	3 Å²	3	40.7 Å²	40.7	1%	0.013	24%	0.242	C	C	.	.			trans	-119.1	140.2	177.8	-57	-65	0	0	0	109.5	L293 I298 F307 F308 K309 W314 F449 S470 L474	L293-F295 HydrophobicContact CD2-CE1 3.81Å; L293-F295 HydrophobicContact CD2-CZ 3.84Å; L293-F295 HydrophobicContact CG-CE1 4.12Å; L293-F295 HydrophobicContact CG-CZ 4.27Å; F295-I298 HydrophobicContact CB-CD1 4.16Å; F295-I298 HydrophobicContact CB-CG1 3.97Å; F295-I298 HydrophobicContact CD2-CD1 3.8Å; F295-I298 HydrophobicContact CD2-CG1 4.33Å; F295-I298 HydrophobicContact CG-CD1 4.22Å; F295-I298 HydrophobicContact CG-CG1 4.27Å; F295-F307 HydrophobicContact CD1-CB 3.71Å; F295-F307 HydrophobicContact CD2-CD1 4.01Å; F295-F307 HydrophobicContact CE1-CB 3.65Å; F295-F307 HydrophobicContact CE1-CD1 4.32Å; F295-F307 HydrophobicContact CE1-CG 4.31Å; F295-F307 AromaticContact CE2-CD1 3.77Å; F295-F307 HydrophobicContact CE2-CD1 3.77Å; F295-F307 HydrophobicContact CE2-CE1 4.46Å; F295-F307 HydrophobicContact CG-CB 4.23Å; F295-F307 HydrophobicContact CG-CD1 4.36Å; F295-F307 HydrophobicContact CZ-CB 4.1Å; F295-F307 AromaticContact CZ-CD1 3.94Å; F295-F307 HydrophobicContact CZ-CD1 3.94Å; F295-F307 HydrophobicContact CZ-CG 4.27Å; F295-F308 CarbonylContact C-O 3.39Å; F295-F308 WeakPolarHBondContact CA-O 3.24Å; F295-K309 HydrophobicContact CD1-CB 4.49Å; F295-W314 HydrophobicContact CD1-CE3 4.21Å; F295-W314 HydrophobicContact CD1-CZ3 4.02Å; F295-W314 AromaticContact CE1-CE3 3.62Å; F295-W314 HydrophobicContact CE1-CE3 3.62Å; F295-W314 HydrophobicContact CE1-CH2 4.48Å; F295-W314 AromaticContact CE1-CZ3 3.55Å; F295-W314 HydrophobicContact CE1-CZ3 3.55Å; F295-F449 HydrophobicContact CD2-CD1 4Å; F295-F449 HydrophobicContact CD2-CE1 4.25Å; F295-F449 HydrophobicContact CE2-CD1 4.32Å; F295-F449 HydrophobicContact CE2-CE1 4.22Å; F295-S470 WeakPolarHBondContact CE2-O 3.24Å; F295-L474 HydrophobicContact CE1-CD1 3.99Å; F295-L474 HydrophobicContact CZ-CD1 3.71Å; F295-L474 HydrophobicContact CZ-CG 4.19Å
296	D	97.4	Very high	90.2	Very high	33 Å²	33	36.8 Å²	36.8	18%	0.176	22%	0.218	C	C	.	.	S	Bend	trans	-84.3	-26.4	177.4	-46.8	-32.1	0	0	0	111.2	F308 K309 D310 L339 D340	D296-F308 PolarHBondContact N-O 2.83Å; D296-K309 VanDerWaalsContact OD1-CD 3.22Å; D296-K309 WeakPolarHBondContact OD1-CD 3.32Å; D296-K309 IonicContact OD1-NZ 3.85Å; D296-K309 PolarHBondContact OD1-NZ 3.49Å; D296-K309 IonicContact OD2-NZ 3.4Å; D296-D310 WeakPolarHBondContact OD2-CA 3.46Å; D296-D310 PolarHBondContact OD2-N 3.03Å; D296-L339 WeakPolarHBondContact CB-O 3.42Å; D296-D340 CarbonylContact O-C 3.55Å
297	A	97.9	Very high	91.1	Very high	1 Å²	1	36 Å²	36	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	154.2	172.3	0	0	0	0	0	110.5	F308 L339 A342	A297-F308 HydrophobicContact CB-CB 4.18Å; A297-F308 HydrophobicContact CB-CD2 4.22Å; A297-F308 PolarHBondContact N-O 2.88Å; A297-F308 WeakPolarHBondContact O-CB 3.4Å; A297-F308 PolarHBondContact O-N 3Å; A297-L339 HydrophobicContact CB-CB 4.24Å; A297-A342 HydrophobicContact CB-CB 4.04Å
298	I	97.9	Very high	91.8	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	138.2	172.8	-59.7	168.4	0	0	0	108.4	F295 L306 F307 A438 L440 F449	F295-I298 HydrophobicContact CB-CD1 4.16Å; F295-I298 HydrophobicContact CB-CG1 3.97Å; F295-I298 HydrophobicContact CD2-CD1 3.8Å; F295-I298 HydrophobicContact CD2-CG1 4.33Å; F295-I298 HydrophobicContact CG-CD1 4.22Å; F295-I298 HydrophobicContact CG-CG1 4.27Å; I298-L306 CarbonylContact C-O 3.21Å; I298-L306 VanDerWaalsContact CA-O 3.23Å; I298-L306 WeakPolarHBondContact CA-O 3Å; I298-L306 WeakPolarHBondContact CG2-O 3.36Å; I298-F307 HydrophobicContact CB-CD1 4.49Å; I298-F307 HydrophobicContact CD1-CD1 3.6Å; I298-F307 HydrophobicContact CD1-CE1 3.91Å; I298-F307 HydrophobicContact CG1-CB 4.5Å; I298-F307 HydrophobicContact CG1-CD1 3.7Å; I298-F307 HydrophobicContact CG1-CE1 4.34Å; I298-F307 HydrophobicContact CG1-CG 4.41Å; I298-F307 HydrophobicContact CG2-CD1 3.96Å; I298-F307 HydrophobicContact CG2-CE1 4.01Å; I298-F307 HydrophobicContact CG2-CG 4.5Å; I298-A438 HydrophobicContact CB-CB 3.98Å; I298-A438 HydrophobicContact CD1-CB 3.64Å; I298-A438 HydrophobicContact CG1-CB 3.58Å; I298-L440 HydrophobicContact CG2-CB 4Å; I298-L440 HydrophobicContact CG2-CD1 4.34Å; I298-L440 HydrophobicContact CG2-CD2 4.44Å; I298-L440 HydrophobicContact CG2-CG 4.49Å; I298-F449 HydrophobicContact CD1-CB 4.44Å; I298-F449 HydrophobicContact CD1-CD1 3.89Å; I298-F449 HydrophobicContact CD1-CD2 3.34Å; I298-F449 HydrophobicContact CD1-CE1 3.88Å; I298-F449 HydrophobicContact CD1-CE2 3.34Å; I298-F449 HydrophobicContact CD1-CG 3.63Å; I298-F449 HydrophobicContact CD1-CZ 3.61Å
299	S	95.9	Very high	92.3	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	173.1	174.4	-174.7	0	0	0	0	110.5	L306 Y343 E344	S299-L306 PolarHBondContact N-O 2.84Å; S299-L306 PolarHBondContact O-N 3.49Å; S299-Y343 VanDerWaalsContact OG-C 3.22Å; S299-Y343 WeakPolarHBondContact OG-CA 3.13Å; S299-E344 PolarHBondContact OG-N 3.36Å
300	T	91.9	Very high	92.4	Very high	29 Å²	29	30 Å²	30	18%	0.178	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	163.4	159.5	56.1	0	0	0	0	111.2	E304 Y305 E344 V351 L440	T300-E304 CarbonylContact C-O 3.56Å; T300-E304 WeakPolarHBondContact CA-O 3.42Å; T300-E304 WeakPolarHBondContact CB-O 3.38Å; T300-Y305 HydrophobicContact CG2-CD1 3.82Å; T300-Y305 HydrophobicContact CG2-CE1 4.05Å; T300-E344 VanDerWaalsContact C-OE2 3.26Å; T300-E344 VanDerWaalsContact CB-OE2 3.23Å; T300-E344 WeakPolarHBondContact CB-OE2 3.26Å; T300-E344 WeakPolarHBondContact O-CB 3.42Å; T300-E344 WeakPolarHBondContact OG1-CB 3.41Å; T300-E344 PolarHBondContact OG1-OE2 3.45Å; T300-V351 WeakPolarHBondContact O-CG2 3.28Å; T300-L440 HydrophobicContact CG2-CD1 3.75Å
301	L	87.6	Confident	92.1	Very high	15 Å²	15	32 Å²	32	8%	0.079	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	110.6	163.7	176.9	63	0	0	0	108.3	G303 E304 L306 W332 E344 V351	L301-G303 PolarHBondContact O-N 2.59Å; L301-G303 VanDerWaalsContact O-N 3.14Å; L301-E304 PolarHBondContact N-O 2.82Å; L301-E304 WeakPolarHBondContact O-CB 2.98Å; L301-E304 PolarHBondContact O-N 2.71Å; L301-L306 HydrophobicContact CB-CD1 3.77Å; L301-L306 HydrophobicContact CB-CG 4.29Å; L301-L306 HydrophobicContact CD2-CD1 4.33Å; L301-W332 HydrophobicContact CD2-CZ2 4.38Å; L301-E344 WeakPolarHBondContact CA-OE2 3.26Å; L301-E344 PolarHBondContact N-OE2 3.02Å; L301-V351 HydrophobicContact CB-CG2 4.19Å; L301-V351 HydrophobicContact CD1-CG2 3.71Å
302	R	83.7	Confident	92.2	Very high	157 Å²	157	29.9 Å²	29.9	59%	0.592	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	38	177.5	-61.2	177.9	176.5	172.3	-1.2	113.9	E344 D349	R302-E344 PolarHBondContact N-OE1 3.35Å; R302-E344 PolarHBondContact N-OE2 3.08Å; R302-D349 IonicContact CZ-OD1 3.42Å; R302-D349 IonicContact CZ-OD2 2.93Å; R302-D349 IonicContact NE-OD1 3.89Å; R302-D349 PolarHBondContact NE-OD1 3.34Å; R302-D349 IonicContact NE-OD2 3.46Å; R302-D349 IonicContact NH2-OD1 3.61Å; R302-D349 PolarHBondContact NH2-OD1 3.14Å; R302-D349 IonicContact NH2-OD2 3.17Å; R302-D349 PolarHBondContact NH2-OD2 3.19Å
303	G	80.4	Confident	92.2	Very high	31 Å²	31	27 Å²	27	32%	0.32	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	4.8	179.4	0	0	0	0	0	114.7	L301 H318	L301-G303 PolarHBondContact O-N 2.59Å; L301-G303 VanDerWaalsContact O-N 3.14Å; G303-H318 PolarHBondContact O-CD2 2.99Å; G303-H318 PolarHBondContact O-NE2 3.15Å
304	E	86.8	Confident	92.2	Very high	28 Å²	28	26.8 Å²	26.8	13%	0.131	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	153.5	170.8	-55.6	179.6	130.2	0	0	110.1	T300 L301 R315 R316 S317	T300-E304 CarbonylContact C-O 3.56Å; T300-E304 WeakPolarHBondContact CA-O 3.42Å; T300-E304 WeakPolarHBondContact CB-O 3.38Å; L301-E304 PolarHBondContact N-O 2.82Å; L301-E304 WeakPolarHBondContact O-CB 2.98Å; L301-E304 PolarHBondContact O-N 2.71Å; E304-R315 VanDerWaalsContact CD-NH2 3.3Å; E304-R315 IonicContact OE1-CZ 2.82Å; E304-R315 IonicContact OE1-NE 2.85Å; E304-R315 IonicContact OE1-NH2 3.53Å; E304-R315 PolarHBondContact OE1-NH2 3.37Å; E304-R315 IonicContact OE2-CZ 2.87Å; E304-R315 IonicContact OE2-NE 3.29Å; E304-R315 PolarHBondContact OE2-NE 3.28Å; E304-R315 IonicContact OE2-NH2 3.98Å; E304-R315 PolarHBondContact OE2-NH2 3.05Å; E304-R316 CarbonylContact C-O 3.49Å; E304-R316 WeakPolarHBondContact CA-O 3.42Å; E304-R316 WeakPolarHBondContact CB-O 3.5Å; E304-S317 WeakPolarHBondContact OE1-CB 3.39Å; E304-S317 PolarHBondContact OE1-OG 3.04Å
305	Y	91.1	Very high	91.8	Very high	16 Å²	16	28.4 Å²	28.4	6%	0.063	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.1	178.1	-54	-74.7	0	0	0	110.2	T300 R315 R316 H318 L440 A442	T300-Y305 HydrophobicContact CG2-CD1 3.82Å; T300-Y305 HydrophobicContact CG2-CE1 4.05Å; Y305-R315 CarbonylContact O-C 3.56Å; Y305-R315 VanDerWaalsContact O-CA 3.31Å; Y305-R315 WeakPolarHBondContact O-CA 3.48Å; Y305-R316 HydrophobicContact CD2-CB 4.47Å; Y305-R316 PolarHBondContact N-O 3.2Å; Y305-R316 PolarHBondContact O-N 3.47Å; Y305-H318 AromaticContact CE2-CE1 3.7Å; Y305-H318 AromaticContact CZ-CE1 3.9Å; Y305-H318 PolarHBondContact OH-CE1 3.48Å; Y305-L440 HydrophobicContact CD1-CD1 3.71Å; Y305-L440 HydrophobicContact CD1-CD2 3.66Å; Y305-L440 HydrophobicContact CD1-CG 4.29Å; Y305-L440 HydrophobicContact CE1-CD1 3.99Å; Y305-L440 HydrophobicContact CE1-CD2 3.94Å; Y305-L440 HydrophobicContact CE1-CG 4.42Å; Y305-A442 HydrophobicContact CE1-CB 4.01Å
306	L	94.4	Very high	91.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.2	179.2	-54.3	-177	0	0	0	109.1	I298 S299 L301 F308 F313 W314 R315 W332	I298-L306 CarbonylContact C-O 3.21Å; I298-L306 VanDerWaalsContact CA-O 3.23Å; I298-L306 WeakPolarHBondContact CA-O 3Å; I298-L306 WeakPolarHBondContact CG2-O 3.36Å; S299-L306 PolarHBondContact N-O 2.84Å; S299-L306 PolarHBondContact O-N 3.49Å; L301-L306 HydrophobicContact CB-CD1 3.77Å; L301-L306 HydrophobicContact CB-CG 4.29Å; L301-L306 HydrophobicContact CD2-CD1 4.33Å; L306-F308 HydrophobicContact CB-CD2 4.34Å; L306-F308 HydrophobicContact CB-CE2 3.55Å; L306-F308 HydrophobicContact CB-CZ 3.86Å; L306-F308 HydrophobicContact CD1-CE2 4.27Å; L306-F308 HydrophobicContact CD1-CZ 3.92Å; L306-F313 HydrophobicContact CB-CD2 4.47Å; L306-F313 HydrophobicContact CD2-CD2 4.01Å; L306-F313 HydrophobicContact CD2-CE2 3.88Å; L306-W314 CarbonylContact C-O 3.51Å; L306-W314 VanDerWaalsContact CA-O 3.28Å; L306-W314 WeakPolarHBondContact CA-O 3.21Å; L306-R315 HydrophobicContact CD2-CB 3.78Å; L306-R315 HydrophobicContact CD2-CG 3.63Å; L306-W332 HydrophobicContact CD1-CH2 4.11Å
307	F	96.4	Very high	89.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	102.6	179.3	-58.5	-97.6	0	0	0	109.5	F295 I298 F313 W314 R316 F449 W473 L474	F295-F307 HydrophobicContact CD1-CB 3.71Å; F295-F307 HydrophobicContact CD2-CD1 4.01Å; F295-F307 HydrophobicContact CE1-CB 3.65Å; F295-F307 HydrophobicContact CE1-CD1 4.32Å; F295-F307 HydrophobicContact CE1-CG 4.31Å; F295-F307 AromaticContact CE2-CD1 3.77Å; F295-F307 HydrophobicContact CE2-CD1 3.77Å; F295-F307 HydrophobicContact CE2-CE1 4.46Å; F295-F307 HydrophobicContact CG-CB 4.23Å; F295-F307 HydrophobicContact CG-CD1 4.36Å; F295-F307 HydrophobicContact CZ-CB 4.1Å; F295-F307 AromaticContact CZ-CD1 3.94Å; F295-F307 HydrophobicContact CZ-CD1 3.94Å; F295-F307 HydrophobicContact CZ-CG 4.27Å; I298-F307 HydrophobicContact CB-CD1 4.49Å; I298-F307 HydrophobicContact CD1-CD1 3.6Å; I298-F307 HydrophobicContact CD1-CE1 3.91Å; I298-F307 HydrophobicContact CG1-CB 4.5Å; I298-F307 HydrophobicContact CG1-CD1 3.7Å; I298-F307 HydrophobicContact CG1-CE1 4.34Å; I298-F307 HydrophobicContact CG1-CG 4.41Å; I298-F307 HydrophobicContact CG2-CD1 3.96Å; I298-F307 HydrophobicContact CG2-CE1 4.01Å; I298-F307 HydrophobicContact CG2-CG 4.5Å; F307-F313 CarbonylContact O-C 3.52Å; F307-F313 WeakPolarHBondContact O-CA 3.5Å; F307-F313 WeakPolarHBondContact O-CB 3.06Å; F307-W314 HydrophobicContact CB-CB 4.26Å; F307-W314 HydrophobicContact CB-CE3 4.35Å; F307-W314 HydrophobicContact CD2-CB 4.45Å; F307-W314 PolarHBondContact N-O 3.21Å; F307-W314 PolarHBondContact O-N 2.83Å; F307-R316 HydrophobicContact CE2-CB 4.48Å; F307-F449 HydrophobicContact CE1-CZ 4.27Å; F307-W473 HydrophobicContact CE1-CB 3.77Å; F307-W473 AromaticContact CE1-CG 3.96Å; F307-W473 HydrophobicContact CE1-CG 3.96Å; F307-W473 HydrophobicContact CE2-CB 4.22Å; F307-W473 HydrophobicContact CZ-CB 3.43Å; F307-W473 VanDerWaalsContact CZ-CB 3.43Å; F307-W473 HydrophobicContact CZ-CD2 4.14Å; F307-W473 HydrophobicContact CZ-CE3 4.26Å; F307-W473 AromaticContact CZ-CG 3.78Å; F307-W473 HydrophobicContact CZ-CG 3.78Å; F307-L474 HydrophobicContact CD2-CD2 3.9Å; F307-L474 HydrophobicContact CE2-CD2 4.19Å; F307-L474 HydrophobicContact CG-CD2 4.28Å
308	F	96.1	Very high	87.9	Confident	1 Å²	1	35.4 Å²	35.4	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135.7	-174.8	-61.4	-90.8	0	0	0	111.5	F295 D296 A297 L306 F313 I328 W332 L339 A342 I353	F295-F308 CarbonylContact C-O 3.39Å; F295-F308 WeakPolarHBondContact CA-O 3.24Å; D296-F308 PolarHBondContact N-O 2.83Å; A297-F308 HydrophobicContact CB-CB 4.18Å; A297-F308 HydrophobicContact CB-CD2 4.22Å; A297-F308 PolarHBondContact N-O 2.88Å; A297-F308 WeakPolarHBondContact O-CB 3.4Å; A297-F308 PolarHBondContact O-N 3Å; L306-F308 HydrophobicContact CB-CD2 4.34Å; L306-F308 HydrophobicContact CB-CE2 3.55Å; L306-F308 HydrophobicContact CB-CZ 3.86Å; L306-F308 HydrophobicContact CD1-CE2 4.27Å; L306-F308 HydrophobicContact CD1-CZ 3.92Å; F308-F313 HydrophobicContact CB-CB 4.37Å; F308-F313 HydrophobicContact CD1-CB 3.42Å; F308-F313 VanDerWaalsContact CD1-CB 3.42Å; F308-F313 HydrophobicContact CD1-CD1 4.48Å; F308-F313 HydrophobicContact CD1-CG 4.06Å; F308-F313 HydrophobicContact CE1-CB 3.77Å; F308-F313 HydrophobicContact CE1-CD1 4.24Å; F308-F313 HydrophobicContact CE1-CD2 4.38Å; F308-F313 AromaticContact CE1-CG 3.9Å; F308-F313 HydrophobicContact CE1-CG 3.9Å; F308-F313 HydrophobicContact CG-CB 3.93Å; F308-I328 HydrophobicContact CD1-CD1 3.89Å; F308-I328 HydrophobicContact CD1-CG1 3.92Å; F308-I328 HydrophobicContact CE1-CG1 4.32Å; F308-W332 AromaticContact CE1-CZ3 3.99Å; F308-W332 HydrophobicContact CE1-CZ3 3.99Å; F308-W332 HydrophobicContact CZ-CZ3 4.22Å; F308-L339 HydrophobicContact CB-CD1 4.21Å; F308-L339 HydrophobicContact CD1-CD1 3.51Å; F308-L339 HydrophobicContact CD2-CD1 4.48Å; F308-L339 HydrophobicContact CE1-CD1 3.95Å; F308-L339 HydrophobicContact CG-CD1 3.82Å; F308-A342 HydrophobicContact CD2-CB 4.44Å; F308-A342 HydrophobicContact CE2-CB 4.21Å; F308-I353 HydrophobicContact CZ-CD1 4.34Å
309	K	95.4	Very high	85.2	Confident	32 Å²	32	46.4 Å²	46.4	14%	0.139	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	123.9	173.3	-176.4	51.9	-179.3	140.3	0	111.7	P286 L293 S294 F295 D296 R311 Y312 W314	P286-K309 HydrophobicContact CB-CB 4.46Å; P286-K309 HydrophobicContact CB-CG 3.87Å; P286-K309 HydrophobicContact CG-CB 4.2Å; P286-K309 HydrophobicContact CG-CG 3.57Å; L293-K309 HydrophobicContact CD1-CG 4.41Å; S294-K309 VanDerWaalsContact O-CD 3.23Å; S294-K309 WeakPolarHBondContact O-CD 3.46Å; F295-K309 HydrophobicContact CD1-CB 4.49Å; D296-K309 VanDerWaalsContact OD1-CD 3.22Å; D296-K309 WeakPolarHBondContact OD1-CD 3.32Å; D296-K309 IonicContact OD1-NZ 3.85Å; D296-K309 PolarHBondContact OD1-NZ 3.49Å; D296-K309 IonicContact OD2-NZ 3.4Å; K309-R311 PolarHBondContact O-N 3.11Å; K309-R311 VanDerWaalsContact O-N 3.1Å; K309-Y312 CarbonylContact C-O 3.55Å; K309-Y312 PolarHBondContact N-O 3.24Å; K309-Y312 CarbonylContact O-C 3.54Å; K309-Y312 WeakPolarHBondContact O-CA 3.21Å; K309-Y312 PolarHBondContact O-N 2.83Å; K309-Y312 VanDerWaalsContact O-O 3.09Å; K309-W314 HydrophobicContact CB-CZ3 3.82Å
310	D	91.8	Very high	82.9	Confident	25 Å²	25	49.7 Å²	49.7	13%	0.134	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-109.5	-177	-53.3	-42.7	0	0	0	110.7	P286 D296 Y338	P286-D310 WeakPolarHBondContact CG-OD2 3.4Å; D296-D310 WeakPolarHBondContact OD2-CA 3.46Å; D296-D310 PolarHBondContact OD2-N 3.03Å; D310-Y338 HydrophobicContact CB-CD1 3.88Å; D310-Y338 HydrophobicContact CB-CE1 3.51Å; D310-Y338 WeakPolarHBondContact O-CA 3.48Å; D310-Y338 PolarHBondContact O-N 3.05Å; D310-Y338 WeakPolarHBondContact OD1-CD1 3.33Å; D310-Y338 VanDerWaalsContact OD1-CE1 3.22Å; D310-Y338 WeakPolarHBondContact OD1-CE1 3.42Å
311	R	83.5	Confident	80.9	Confident	111 Å²	111	52.5 Å²	52.5	42%	0.419	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	4.3	178.5	-46.7	-158.3	-73.9	-159.8	-6.9	113.3	K309 L327 I328 S337 Y338	K309-R311 PolarHBondContact O-N 3.11Å; K309-R311 VanDerWaalsContact O-N 3.1Å; R311-L327 HydrophobicContact CB-CD2 4.24Å; R311-I328 PolarHBondContact O-N 2.78Å; R311-S337 WeakPolarHBondContact CD-OG 3.35Å; R311-S337 WeakPolarHBondContact CG-OG 3.5Å; R311-Y338 HydrophobicContact CG-CE2 4.23Å
312	Y	88.9	Confident	80	Confident	36 Å²	36	56 Å²	56	14%	0.141	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	168.5	-169	-53.1	-89.5	0	0	0	111.3	T285 P286 K309 F325 H326 L327	T285-Y312 HydrophobicContact CG2-CE1 4.46Å; T285-Y312 HydrophobicContact CG2-CE2 4.43Å; P286-Y312 HydrophobicContact CG-CD2 4.26Å; K309-Y312 CarbonylContact C-O 3.55Å; K309-Y312 PolarHBondContact N-O 3.24Å; K309-Y312 CarbonylContact O-C 3.54Å; K309-Y312 WeakPolarHBondContact O-CA 3.21Å; K309-Y312 PolarHBondContact O-N 2.83Å; K309-Y312 VanDerWaalsContact O-O 3.09Å; Y312-F325 HydrophobicContact CD1-CD1 4.49Å; Y312-F325 AromaticContact CD1-CE1 3.6Å; Y312-F325 HydrophobicContact CD1-CE1 3.6Å; Y312-F325 HydrophobicContact CD1-CE2 4.4Å; Y312-F325 AromaticContact CD1-CZ 3.57Å; Y312-F325 HydrophobicContact CD1-CZ 3.57Å; Y312-F325 HydrophobicContact CD2-CZ 4.03Å; Y312-F325 HydrophobicContact CE1-CE1 4.17Å; Y312-F325 HydrophobicContact CE1-CZ 4.4Å; Y312-F325 AromaticContact CG-CE1 3.92Å; Y312-F325 HydrophobicContact CG-CE1 3.92Å; Y312-F325 HydrophobicContact CG-CE2 4Å; Y312-F325 AromaticContact CG-CZ 3.36Å; Y312-F325 HydrophobicContact CG-CZ 3.36Å; Y312-H326 CarbonylContact C-O 3.49Å; Y312-H326 WeakPolarHBondContact CA-O 3.3Å; Y312-H326 WeakPolarHBondContact CB-O 3.42Å; Y312-L327 HydrophobicContact CD1-CD2 3.54Å; Y312-L327 HydrophobicContact CD1-CG 3.98Å; Y312-L327 HydrophobicContact CE1-CD2 3.26Å; Y312-L327 HydrophobicContact CE1-CG 3.83Å; Y312-L327 HydrophobicContact CG-CD2 4.32Å
313	F	92.8	Very high	79.6	Confident	2 Å²	2	49 Å²	49	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	150.1	165.4	70.1	-76.8	0	0	0	111.2	L306 F307 F308 R315 F325 H326 I328 F331 W332	L306-F313 HydrophobicContact CB-CD2 4.47Å; L306-F313 HydrophobicContact CD2-CD2 4.01Å; L306-F313 HydrophobicContact CD2-CE2 3.88Å; F307-F313 CarbonylContact O-C 3.52Å; F307-F313 WeakPolarHBondContact O-CA 3.5Å; F307-F313 WeakPolarHBondContact O-CB 3.06Å; F308-F313 HydrophobicContact CB-CB 4.37Å; F308-F313 HydrophobicContact CD1-CB 3.42Å; F308-F313 VanDerWaalsContact CD1-CB 3.42Å; F308-F313 HydrophobicContact CD1-CD1 4.48Å; F308-F313 HydrophobicContact CD1-CG 4.06Å; F308-F313 HydrophobicContact CE1-CB 3.77Å; F308-F313 HydrophobicContact CE1-CD1 4.24Å; F308-F313 HydrophobicContact CE1-CD2 4.38Å; F308-F313 AromaticContact CE1-CG 3.9Å; F308-F313 HydrophobicContact CE1-CG 3.9Å; F308-F313 HydrophobicContact CG-CB 3.93Å; F313-R315 HydrophobicContact CD2-CB 4.24Å; F313-R315 HydrophobicContact CE2-CB 3.9Å; F313-F325 CarbonylContact O-C 3.6Å; F313-F325 WeakPolarHBondContact O-CA 3.21Å; F313-H326 HydrophobicContact CD1-CB 3.97Å; F313-H326 HydrophobicContact CE1-CB 3.43Å; F313-H326 VanDerWaalsContact CE1-CB 3.43Å; F313-H326 HydrophobicContact CE2-CB 4.35Å; F313-H326 HydrophobicContact CZ-CB 3.65Å; F313-H326 PolarHBondContact N-O 3.36Å; F313-H326 PolarHBondContact O-N 2.95Å; F313-I328 HydrophobicContact CD1-CG1 3.99Å; F313-F331 AromaticContact CE1-CD2 3.7Å; F313-F331 HydrophobicContact CE1-CD2 3.7Å; F313-F331 HydrophobicContact CE1-CE2 4.19Å; F313-F331 HydrophobicContact CE1-CG 4.37Å; F313-F331 AromaticContact CZ-CD2 3.59Å; F313-F331 HydrophobicContact CZ-CD2 3.59Å; F313-F331 AromaticContact CZ-CE2 3.85Å; F313-F331 HydrophobicContact CZ-CE2 3.85Å; F313-F331 HydrophobicContact CZ-CG 4.04Å; F313-F331 HydrophobicContact CZ-CZ 4.46Å; F313-W332 HydrophobicContact CE1-CZ3 4.05Å; F313-W332 HydrophobicContact CE2-CZ3 4.47Å; F313-W332 HydrophobicContact CZ-CH2 4.39Å; F313-W332 HydrophobicContact CZ-CZ3 4.01Å
314	W	93.8	Very high	79.4	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	138.6	164	-66.1	-91.7	0	0	0	110.8	P286 K288 L293 F295 L306 F307 K309 P323 E324 F325 L474	P286-W314 HydrophobicContact CB-CH2 3.49Å; P286-W314 VanDerWaalsContact CB-CH2 3.49Å; P286-W314 HydrophobicContact CB-CZ2 4.23Å; P286-W314 HydrophobicContact CB-CZ3 4.32Å; K288-W314 HydrophobicContact CB-CZ2 4.29Å; L293-W314 HydrophobicContact CD1-CH2 3.63Å; L293-W314 HydrophobicContact CD1-CZ3 4.07Å; L293-W314 HydrophobicContact CD2-CH2 3.73Å; L293-W314 HydrophobicContact CD2-CZ2 4.24Å; L293-W314 HydrophobicContact CD2-CZ3 4.1Å; L293-W314 HydrophobicContact CG-CH2 4.33Å; F295-W314 HydrophobicContact CD1-CE3 4.21Å; F295-W314 HydrophobicContact CD1-CZ3 4.02Å; F295-W314 AromaticContact CE1-CE3 3.62Å; F295-W314 HydrophobicContact CE1-CE3 3.62Å; F295-W314 HydrophobicContact CE1-CH2 4.48Å; F295-W314 AromaticContact CE1-CZ3 3.55Å; F295-W314 HydrophobicContact CE1-CZ3 3.55Å; L306-W314 CarbonylContact C-O 3.51Å; L306-W314 VanDerWaalsContact CA-O 3.28Å; L306-W314 WeakPolarHBondContact CA-O 3.21Å; F307-W314 HydrophobicContact CB-CB 4.26Å; F307-W314 HydrophobicContact CB-CE3 4.35Å; F307-W314 HydrophobicContact CD2-CB 4.45Å; F307-W314 PolarHBondContact N-O 3.21Å; F307-W314 PolarHBondContact O-N 2.83Å; K309-W314 HydrophobicContact CB-CZ3 3.82Å; W314-P323 HydrophobicContact CB-CB 4.25Å; W314-E324 CarbonylContact C-O 3.54Å; W314-E324 WeakPolarHBondContact CA-O 3.3Å; W314-E324 WeakPolarHBondContact CB-O 3.13Å; W314-F325 AromaticContact CD1-CD2 3.56Å; W314-F325 AromaticContact CD2-CD2 3.52Å; W314-F325 HydrophobicContact CD2-CD2 3.52Å; W314-F325 AromaticContact CD2-CE2 3.81Å; W314-F325 HydrophobicContact CD2-CE2 3.81Å; W314-F325 AromaticContact CE2-CD2 3.25Å; W314-F325 AromaticContact CE2-CE2 3.46Å; W314-F325 VanDerWaalsContact CE2-CE2 3.46Å; W314-F325 HydrophobicContact CE3-CD2 4.19Å; W314-F325 HydrophobicContact CE3-CE2 4.08Å; W314-F325 AromaticContact CG-CD2 3.74Å; W314-F325 HydrophobicContact CG-CD2 3.74Å; W314-F325 HydrophobicContact CG-CE2 4.5Å; W314-F325 HydrophobicContact CH2-CD2 4.46Å; W314-F325 AromaticContact CH2-CE2 3.83Å; W314-F325 HydrophobicContact CH2-CE2 3.83Å; W314-F325 AromaticContact CZ2-CD2 3.78Å; W314-F325 HydrophobicContact CZ2-CD2 3.78Å; W314-F325 AromaticContact CZ2-CE2 3.47Å; W314-F325 HydrophobicContact CZ2-CE2 3.47Å; W314-F325 VanDerWaalsContact CZ2-CE2 3.47Å; W314-F325 HydrophobicContact CZ2-CZ 4.25Å; W314-F325 HydrophobicContact CZ3-CE2 4.09Å; W314-F325 AromaticContact NE1-CD2 3.24Å; W314-F325 AromaticContact NE1-CE2 3.92Å; W314-F325 AromaticContact NE1-CG 3.75Å; W314-L474 HydrophobicContact CB-CD2 3.82Å; W314-L474 HydrophobicContact CD2-CD1 3.7Å; W314-L474 HydrophobicContact CE3-CD1 4.07Å; W314-L474 HydrophobicContact CG-CD1 3.92Å; W314-L474 HydrophobicContact CG-CD2 4.02Å; W314-L474 HydrophobicContact CZ2-CD1 4.4Å
315	R	87.4	Confident	79.2	Confident	65 Å²	65	49.5 Å²	49.5	25%	0.245	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.1	175	176.4	176	179	-144.7	0.6	109.7	E304 Y305 L306 F313 P323 E324	E304-R315 VanDerWaalsContact CD-NH2 3.3Å; E304-R315 IonicContact OE1-CZ 2.82Å; E304-R315 IonicContact OE1-NE 2.85Å; E304-R315 IonicContact OE1-NH2 3.53Å; E304-R315 PolarHBondContact OE1-NH2 3.37Å; E304-R315 IonicContact OE2-CZ 2.87Å; E304-R315 IonicContact OE2-NE 3.29Å; E304-R315 PolarHBondContact OE2-NE 3.28Å; E304-R315 IonicContact OE2-NH2 3.98Å; E304-R315 PolarHBondContact OE2-NH2 3.05Å; Y305-R315 CarbonylContact O-C 3.56Å; Y305-R315 VanDerWaalsContact O-CA 3.31Å; Y305-R315 WeakPolarHBondContact O-CA 3.48Å; L306-R315 HydrophobicContact CD2-CB 3.78Å; L306-R315 HydrophobicContact CD2-CG 3.63Å; F313-R315 HydrophobicContact CD2-CB 4.24Å; F313-R315 HydrophobicContact CE2-CB 3.9Å; R315-P323 CarbonylContact O-C 3.39Å; R315-P323 WeakPolarHBondContact O-CA 3.47Å; R315-E324 HydrophobicContact CB-CB 4.24Å; R315-E324 PolarHBondContact N-O 2.85Å; R315-E324 IonicContact NH1-OE2 3.11Å; R315-E324 WeakPolarHBondContact O-CB 3.5Å; R315-E324 PolarHBondContact O-N 3.35Å
316	R	82.6	Confident	78.4	Confident	55 Å²	55	50.2 Å²	50.2	21%	0.208	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.3	179	-174.6	177.6	174.1	-152.7	-7.7	109.9	E304 Y305 F307 P323 W473 H475	E304-R316 CarbonylContact C-O 3.49Å; E304-R316 WeakPolarHBondContact CA-O 3.42Å; E304-R316 WeakPolarHBondContact CB-O 3.5Å; Y305-R316 HydrophobicContact CD2-CB 4.47Å; Y305-R316 PolarHBondContact N-O 3.2Å; Y305-R316 PolarHBondContact O-N 3.47Å; F307-R316 HydrophobicContact CE2-CB 4.48Å; R316-P323 HydrophobicContact CB-CB 4.11Å; R316-P323 HydrophobicContact CB-CG 4.49Å; R316-P323 HydrophobicContact CG-CG 4.46Å; R316-W473 WeakPolarHBondContact CD-O 3.14Å; R316-W473 PolarHBondContact NH1-O 2.55Å; R316-H475 PolarHBondContact NE-NE2 3.23Å; R316-H475 VanDerWaalsContact NE-NE2 3.2Å; R316-H475 PolarHBondContact NH2-NE2 3.5Å
317	S	72.4	Confident	77.2	Confident	13 Å²	13	53.3 Å²	53.3	9%	0.091	24%	0.243	C	C	.	.			trans	-94.6	157.9	175.8	-162.2	0	0	0	0	111.2	E304 W319	E304-S317 WeakPolarHBondContact OE1-CB 3.39Å; E304-S317 PolarHBondContact OE1-OG 3.04Å; S317-W319 PolarHBondContact O-N 3.42Å
318	H	55.2	Low	76.3	Confident	116 Å²	116	53.4 Å²	53.4	54%	0.537	24%	0.244	S	C	.	.	S	Bend	trans	-70.3	-21.2	170.6	-75.1	-64.3	0	0	0	112.8	G303 Y305	G303-H318 PolarHBondContact O-CD2 2.99Å; G303-H318 PolarHBondContact O-NE2 3.15Å; Y305-H318 AromaticContact CE2-CE1 3.7Å; Y305-H318 AromaticContact CZ-CE1 3.9Å; Y305-H318 PolarHBondContact OH-CE1 3.48Å
319	W	40.4	Very low	75.1	Confident	234 Å²	234	56.3 Å²	56.3	89%	0.886	27%	0.265	S	S	*	.	S	Bend	trans	-92.3	-20.2	-175.7	-52	101.6	0	0	0	113.4	S317	S317-W319 PolarHBondContact O-N 3.42Å
320	N	47.8	Very low	73.7	Confident	73 Å²	73	59.4 Å²	59.4	39%	0.39	29%	0.286	S	S	.	.			trans	-114.9	123.9	178	-71.4	-8.8	0	0	0	108.7	E322	N320-E322 VanDerWaalsContact C-N 3.3Å; N320-E322 PolarHBondContact O-N 2.88Å
321	S	51	Low	73	Confident	88 Å²	88	59.9 Å²	59.9	62%	0.615	29%	0.287	S	S	*	.	S	Bend	trans	-69.2	-27.8	180	54.7	0	0	0	0	112.9	H475	S321-H475 PolarHBondContact O-CD2 3.07Å; S321-H475 PolarHBondContact O-NE2 2.71Å
322	E	67.9	Low	73.1	Confident	89 Å²	89	54.7 Å²	54.7	42%	0.416	27%	0.267	S	S	.	.	S	Bend	trans	-96.6	130.6	-178.5	-71.2	-62.2	143.5	0	0	112.2	K288 N320 E324	K288-E322 IonicContact NZ-OE2 2.77Å; K288-E322 PolarHBondContact NZ-OE2 3.18Å; N320-E322 VanDerWaalsContact C-N 3.3Å; N320-E322 PolarHBondContact O-N 2.88Å; E322-E324 PolarHBondContact O-N 3.26Å
323	P	74.5	Confident	72.3	Confident	10 Å²	10	58.1 Å²	58.1	7%	0.065	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-67.6	125.3	173.7	-8.3	20	0	0	0	111.5	W314 R315 R316 L474	W314-P323 HydrophobicContact CB-CB 4.25Å; R315-P323 CarbonylContact O-C 3.39Å; R315-P323 WeakPolarHBondContact O-CA 3.47Å; R316-P323 HydrophobicContact CB-CB 4.11Å; R316-P323 HydrophobicContact CB-CG 4.49Å; R316-P323 HydrophobicContact CG-CG 4.46Å; P323-L474 HydrophobicContact CB-CD2 3.87Å; P323-L474 HydrophobicContact CG-CB 4.04Å; P323-L474 HydrophobicContact CG-CD2 3.78Å
324	E	78.2	Confident	71.7	Confident	32 Å²	32	61.6 Å²	61.6	15%	0.15	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	155	167.9	-59.1	166.4	-162.5	0	0	110.3	F102 W314 R315 E322 H326	F102-E324 HydrophobicContact CD1-CB 4.17Å; F102-E324 HydrophobicContact CD1-CG 3.74Å; F102-E324 HydrophobicContact CE1-CB 4.26Å; F102-E324 HydrophobicContact CE1-CG 3.41Å; F102-E324 VanDerWaalsContact CE1-CG 3.41Å; F102-E324 HydrophobicContact CZ-CG 4.42Å; W314-E324 CarbonylContact C-O 3.54Å; W314-E324 WeakPolarHBondContact CA-O 3.3Å; W314-E324 WeakPolarHBondContact CB-O 3.13Å; R315-E324 HydrophobicContact CB-CB 4.24Å; R315-E324 PolarHBondContact N-O 2.85Å; R315-E324 IonicContact NH1-OE2 3.11Å; R315-E324 WeakPolarHBondContact O-CB 3.5Å; R315-E324 PolarHBondContact O-N 3.35Å; E322-E324 PolarHBondContact O-N 3.26Å; E324-H326 WeakPolarHBondContact CB-NE2 3.32Å; E324-H326 IonicContact OE2-CD2 3.57Å; E324-H326 IonicContact OE2-CE1 3.8Å; E324-H326 IonicContact OE2-NE2 3.42Å; E324-H326 PolarHBondContact OE2-NE2 3.44Å
325	F	81.3	Confident	71.3	Confident	37 Å²	37	62 Å²	62	16%	0.162	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.8	175.8	-176.2	-118.3	0	0	0	109.1	P103 T285 Y312 F313 W314	P103-F325 WeakPolarHBondContact CD-O 3.45Å; P103-F325 WeakPolarHBondContact CG-O 3.16Å; T285-F325 HydrophobicContact CG2-CE1 3.57Å; T285-F325 HydrophobicContact CG2-CZ 3.87Å; Y312-F325 HydrophobicContact CD1-CD1 4.49Å; Y312-F325 AromaticContact CD1-CE1 3.6Å; Y312-F325 HydrophobicContact CD1-CE1 3.6Å; Y312-F325 HydrophobicContact CD1-CE2 4.4Å; Y312-F325 AromaticContact CD1-CZ 3.57Å; Y312-F325 HydrophobicContact CD1-CZ 3.57Å; Y312-F325 HydrophobicContact CD2-CZ 4.03Å; Y312-F325 HydrophobicContact CE1-CE1 4.17Å; Y312-F325 HydrophobicContact CE1-CZ 4.4Å; Y312-F325 AromaticContact CG-CE1 3.92Å; Y312-F325 HydrophobicContact CG-CE1 3.92Å; Y312-F325 HydrophobicContact CG-CE2 4Å; Y312-F325 AromaticContact CG-CZ 3.36Å; Y312-F325 HydrophobicContact CG-CZ 3.36Å; F313-F325 CarbonylContact O-C 3.6Å; F313-F325 WeakPolarHBondContact O-CA 3.21Å; W314-F325 AromaticContact CD1-CD2 3.56Å; W314-F325 AromaticContact CD2-CD2 3.52Å; W314-F325 HydrophobicContact CD2-CD2 3.52Å; W314-F325 AromaticContact CD2-CE2 3.81Å; W314-F325 HydrophobicContact CD2-CE2 3.81Å; W314-F325 AromaticContact CE2-CD2 3.25Å; W314-F325 AromaticContact CE2-CE2 3.46Å; W314-F325 VanDerWaalsContact CE2-CE2 3.46Å; W314-F325 HydrophobicContact CE3-CD2 4.19Å; W314-F325 HydrophobicContact CE3-CE2 4.08Å; W314-F325 AromaticContact CG-CD2 3.74Å; W314-F325 HydrophobicContact CG-CD2 3.74Å; W314-F325 HydrophobicContact CG-CE2 4.5Å; W314-F325 HydrophobicContact CH2-CD2 4.46Å; W314-F325 AromaticContact CH2-CE2 3.83Å; W314-F325 HydrophobicContact CH2-CE2 3.83Å; W314-F325 AromaticContact CZ2-CD2 3.78Å; W314-F325 HydrophobicContact CZ2-CD2 3.78Å; W314-F325 AromaticContact CZ2-CE2 3.47Å; W314-F325 HydrophobicContact CZ2-CE2 3.47Å; W314-F325 VanDerWaalsContact CZ2-CE2 3.47Å; W314-F325 HydrophobicContact CZ2-CZ 4.25Å; W314-F325 HydrophobicContact CZ3-CE2 4.09Å; W314-F325 AromaticContact NE1-CD2 3.24Å; W314-F325 AromaticContact NE1-CE2 3.92Å; W314-F325 AromaticContact NE1-CG 3.75Å
326	H	74.9	Confident	71.3	Confident	31 Å²	31	60.7 Å²	60.7	14%	0.144	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155.6	-169.3	-68.4	-64.5	0	0	0	111.2	Y312 F313 E324 F331	Y312-H326 CarbonylContact C-O 3.49Å; Y312-H326 WeakPolarHBondContact CA-O 3.3Å; Y312-H326 WeakPolarHBondContact CB-O 3.42Å; F313-H326 HydrophobicContact CD1-CB 3.97Å; F313-H326 HydrophobicContact CE1-CB 3.43Å; F313-H326 VanDerWaalsContact CE1-CB 3.43Å; F313-H326 HydrophobicContact CE2-CB 4.35Å; F313-H326 HydrophobicContact CZ-CB 3.65Å; F313-H326 PolarHBondContact N-O 3.36Å; F313-H326 PolarHBondContact O-N 2.95Å; E324-H326 WeakPolarHBondContact CB-NE2 3.32Å; E324-H326 IonicContact OE2-CD2 3.57Å; E324-H326 IonicContact OE2-CE1 3.8Å; E324-H326 IonicContact OE2-NE2 3.42Å; E324-H326 PolarHBondContact OE2-NE2 3.44Å; H326-F331 HydrophobicContact CB-CD2 4.2Å; H326-F331 HydrophobicContact CB-CE2 3.61Å; H326-F331 AromaticContact CD2-CE2 3.93Å; H326-F331 AromaticContact CG-CE2 3.46Å; H326-F331 VanDerWaalsContact CG-CE2 3.46Å; H326-F331 AromaticContact CG-CZ 3.96Å; H326-F331 AromaticContact ND1-CE2 3.65Å; H326-F331 AromaticContact ND1-CZ 3.97Å
327	L	69.3	Low	71.5	Confident	65 Å²	65	60.1 Å²	60.1	34%	0.34	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	137.9	163.7	-78.6	166.7	0	0	0	109.7	R311 Y312 S329 T330	R311-L327 HydrophobicContact CB-CD2 4.24Å; Y312-L327 HydrophobicContact CD1-CD2 3.54Å; Y312-L327 HydrophobicContact CD1-CG 3.98Å; Y312-L327 HydrophobicContact CE1-CD2 3.26Å; Y312-L327 HydrophobicContact CE1-CG 3.83Å; Y312-L327 HydrophobicContact CG-CD2 4.32Å; L327-S329 PolarHBondContact O-N 3.15Å; L327-T330 WeakPolarHBondContact O-CB 3.25Å; L327-T330 PolarHBondContact O-N 2.86Å
328	I	77.7	Confident	72.4	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.015	34%	0.34	C	S	.	.	H	α-helix	trans	-57.8	-42.8	175.4	-64	170	0	0	0	110	F308 R311 F313 T330 F331 W332 L335 L339	F308-I328 HydrophobicContact CD1-CD1 3.89Å; F308-I328 HydrophobicContact CD1-CG1 3.92Å; F308-I328 HydrophobicContact CE1-CG1 4.32Å; R311-I328 PolarHBondContact O-N 2.78Å; F313-I328 HydrophobicContact CD1-CG1 3.99Å; I328-T330 PolarHBondContact O-N 2.93Å; I328-F331 PolarHBondContact O-N 3.48Å; I328-W332 HydrophobicContact CG2-CE3 4.29Å; I328-W332 PolarHBondContact O-N 2.98Å; I328-L335 HydrophobicContact CG2-CB 4.02Å; I328-L335 HydrophobicContact CG2-CD1 4.24Å; I328-L339 HydrophobicContact CD1-CD1 3.97Å; I328-L339 HydrophobicContact CD1-CG 4.09Å
329	S	70.6	Confident	74.4	Confident	62 Å²	62	58.9 Å²	58.9	43%	0.434	32%	0.315	S	S	.	.	H	α-helix	trans	-66.3	-20.6	-177.2	57.5	0	0	0	0	114.3	L327 F331 P333	L327-S329 PolarHBondContact O-N 3.15Å; S329-F331 VanDerWaalsContact C-N 3.3Å; S329-P333 WeakPolarHBondContact O-CA 3.06Å; S329-P333 WeakPolarHBondContact O-CD 3.39Å; S329-P333 WeakPolarHBondContact O-CG 3.45Å
330	T	66.2	Low	77.1	Confident	96 Å²	96	49 Å²	49	59%	0.589	28%	0.279	S	S	*	.	H	α-helix	trans	-66	-36.9	175.7	-60.3	0	0	0	0	111.2	L327 I328	L327-T330 WeakPolarHBondContact O-CB 3.25Å; L327-T330 PolarHBondContact O-N 2.86Å; I328-T330 PolarHBondContact O-N 2.93Å
331	F	75.9	Confident	79.5	Confident	35 Å²	35	45.5 Å²	45.5	15%	0.154	26%	0.261	C	S	.	.	H	α-helix	trans	-95.7	-36.8	-178.3	-68.5	-97.2	0	0	0	111.7	F313 H326 I328 S329	F313-F331 AromaticContact CE1-CD2 3.7Å; F313-F331 HydrophobicContact CE1-CD2 3.7Å; F313-F331 HydrophobicContact CE1-CE2 4.19Å; F313-F331 HydrophobicContact CE1-CG 4.37Å; F313-F331 AromaticContact CZ-CD2 3.59Å; F313-F331 HydrophobicContact CZ-CD2 3.59Å; F313-F331 AromaticContact CZ-CE2 3.85Å; F313-F331 HydrophobicContact CZ-CE2 3.85Å; F313-F331 HydrophobicContact CZ-CG 4.04Å; F313-F331 HydrophobicContact CZ-CZ 4.46Å; H326-F331 HydrophobicContact CB-CD2 4.2Å; H326-F331 HydrophobicContact CB-CE2 3.61Å; H326-F331 AromaticContact CD2-CE2 3.93Å; H326-F331 AromaticContact CG-CE2 3.46Å; H326-F331 VanDerWaalsContact CG-CE2 3.46Å; H326-F331 AromaticContact CG-CZ 3.96Å; H326-F331 AromaticContact ND1-CE2 3.65Å; H326-F331 AromaticContact ND1-CZ 3.97Å; I328-F331 PolarHBondContact O-N 3.48Å; S329-F331 VanDerWaalsContact C-N 3.3Å
332	W	85.5	Confident	81.8	Confident	3 Å²	3	41.4 Å²	41.4	1%	0.011	23%	0.232	C	C	.	.			trans	-137	81.7	-177.1	-52.8	-70.1	0	0	0	110.8	L301 L306 F308 F313 I328 S334 L335 I362 G364	L301-W332 HydrophobicContact CD2-CZ2 4.38Å; L306-W332 HydrophobicContact CD1-CH2 4.11Å; F308-W332 AromaticContact CE1-CZ3 3.99Å; F308-W332 HydrophobicContact CE1-CZ3 3.99Å; F308-W332 HydrophobicContact CZ-CZ3 4.22Å; F313-W332 HydrophobicContact CE1-CZ3 4.05Å; F313-W332 HydrophobicContact CE2-CZ3 4.47Å; F313-W332 HydrophobicContact CZ-CH2 4.39Å; F313-W332 HydrophobicContact CZ-CZ3 4.01Å; I328-W332 HydrophobicContact CG2-CE3 4.29Å; I328-W332 PolarHBondContact O-N 2.98Å; W332-S334 PolarHBondContact O-N 3.5Å; W332-S334 VanDerWaalsContact O-N 3.09Å; W332-L335 HydrophobicContact CB-CB 4.12Å; W332-L335 HydrophobicContact CB-CD1 3.41Å; W332-L335 VanDerWaalsContact CB-CD1 3.41Å; W332-L335 HydrophobicContact CB-CG 3.6Å; W332-L335 HydrophobicContact CD2-CD1 3.92Å; W332-L335 HydrophobicContact CE3-CD1 4.03Å; W332-L335 HydrophobicContact CG-CD1 3.7Å; W332-L335 HydrophobicContact CG-CG 4.33Å; W332-L335 PolarHBondContact O-N 3.36Å; W332-I362 HydrophobicContact CD2-CD1 4.26Å; W332-I362 HydrophobicContact CG-CG2 4.15Å; W332-I362 HydrophobicContact CH2-CD1 4.38Å; W332-I362 HydrophobicContact CZ2-CD1 3.78Å; W332-G364 PolarHBondContact NE1-O 2.99Å
333	P	73.6	Confident	83.2	Confident	107 Å²	107	37.4 Å²	37.4	70%	0.695	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.9	-175.1	-24.4	31.6	0	0	0	115	S329	S329-P333 WeakPolarHBondContact O-CA 3.06Å; S329-P333 WeakPolarHBondContact O-CD 3.39Å; S329-P333 WeakPolarHBondContact O-CG 3.45Å
334	S	80.3	Confident	84.2	Confident	75 Å²	75	37.3 Å²	37.3	52%	0.524	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-2.9	-179.3	54.5	0	0	0	0	114.3	W332 V367	W332-S334 PolarHBondContact O-N 3.5Å; W332-S334 VanDerWaalsContact O-N 3.09Å; S334-V367 VanDerWaalsContact OG-CG2 3.31Å; S334-V367 WeakPolarHBondContact OG-CG2 3.35Å
335	L	84.8	Confident	85	Confident	14 Å²	14	35.9 Å²	35.9	7%	0.073	21%	0.205	C	C	.	.	S	Bend	trans	-80.4	142.7	173.7	-71.4	-177.8	0	0	0	111.3	I328 W332 I353 W360 V367	I328-L335 HydrophobicContact CG2-CB 4.02Å; I328-L335 HydrophobicContact CG2-CD1 4.24Å; W332-L335 HydrophobicContact CB-CB 4.12Å; W332-L335 HydrophobicContact CB-CD1 3.41Å; W332-L335 VanDerWaalsContact CB-CD1 3.41Å; W332-L335 HydrophobicContact CB-CG 3.6Å; W332-L335 HydrophobicContact CD2-CD1 3.92Å; W332-L335 HydrophobicContact CE3-CD1 4.03Å; W332-L335 HydrophobicContact CG-CD1 3.7Å; W332-L335 HydrophobicContact CG-CG 4.33Å; W332-L335 PolarHBondContact O-N 3.36Å; L335-I353 HydrophobicContact CD1-CD1 3.42Å; L335-I353 VanDerWaalsContact CD1-CD1 3.42Å; L335-I353 HydrophobicContact CD2-CG2 4.37Å; L335-W360 HydrophobicContact CD2-CB 3.56Å; L335-W360 HydrophobicContact CD2-CD2 3.74Å; L335-W360 HydrophobicContact CD2-CE3 4.3Å; L335-W360 HydrophobicContact CD2-CG 3.38Å; L335-V367 HydrophobicContact CG-CG2 4.48Å
336	P	87.4	Confident	85.3	Confident	37 Å²	37	37 Å²	37	24%	0.24	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-69.6	162.2	172.2	30.8	-34.1	0	0	0	111.1	L339 K355 W360	P336-L339 HydrophobicContact CG-CD2 4.15Å; P336-L339 WeakPolarHBondContact O-CD2 3.15Å; P336-K355 HydrophobicContact CB-CB 4.5Å; P336-K355 HydrophobicContact CB-CG 4.1Å; P336-K355 HydrophobicContact CG-CB 3.57Å; P336-K355 HydrophobicContact CG-CG 3.7Å; P336-W360 HydrophobicContact CG-CH2 3.72Å; P336-W360 HydrophobicContact CG-CZ2 4.18Å; P336-W360 HydrophobicContact CG-CZ3 3.94Å
337	S	87.8	Confident	85.9	Confident	43 Å²	43	39.6 Å²	39.6	30%	0.301	24%	0.235	S	C	.	.	S	Bend	trans	-84.1	168.3	166	-64.1	0	0	0	0	111.9	R311	R311-S337 WeakPolarHBondContact CD-OG 3.35Å; R311-S337 WeakPolarHBondContact CG-OG 3.5Å
338	Y	90.7	Very high	86.8	Confident	101 Å²	101	40.1 Å²	40.1	40%	0.396	23%	0.232	S	C	.	.	S	Bend	trans	58.2	56.6	178.9	-54.6	-89.2	0	0	0	110.7	D310 R311 K355	D310-Y338 HydrophobicContact CB-CD1 3.88Å; D310-Y338 HydrophobicContact CB-CE1 3.51Å; D310-Y338 WeakPolarHBondContact O-CA 3.48Å; D310-Y338 PolarHBondContact O-N 3.05Å; D310-Y338 WeakPolarHBondContact OD1-CD1 3.33Å; D310-Y338 VanDerWaalsContact OD1-CE1 3.22Å; D310-Y338 WeakPolarHBondContact OD1-CE1 3.42Å; R311-Y338 HydrophobicContact CG-CE2 4.23Å; Y338-K355 WeakPolarHBondContact O-CD 3.24Å; Y338-K355 WeakPolarHBondContact O-CE 3.44Å; Y338-K355 PolarHBondContact O-NZ 3.22Å
339	L	96.6	Very high	87.2	Confident	2 Å²	2	42 Å²	42	1%	0.01	24%	0.242	C	C	.	.			trans	-59.3	152.6	-174.8	-57.1	179.1	0	0	0	111.6	D296 A297 F308 I328 P336 I353	D296-L339 WeakPolarHBondContact CB-O 3.42Å; A297-L339 HydrophobicContact CB-CB 4.24Å; F308-L339 HydrophobicContact CB-CD1 4.21Å; F308-L339 HydrophobicContact CD1-CD1 3.51Å; F308-L339 HydrophobicContact CD2-CD1 4.48Å; F308-L339 HydrophobicContact CE1-CD1 3.95Å; F308-L339 HydrophobicContact CG-CD1 3.82Å; I328-L339 HydrophobicContact CD1-CD1 3.97Å; I328-L339 HydrophobicContact CD1-CG 4.09Å; P336-L339 HydrophobicContact CG-CD2 4.15Å; P336-L339 WeakPolarHBondContact O-CD2 3.15Å; L339-I353 HydrophobicContact CB-CG2 4.45Å; L339-I353 HydrophobicContact CD1-CD1 4.22Å; L339-I353 HydrophobicContact CD1-CG2 3.67Å; L339-I353 HydrophobicContact CD2-CG2 3.53Å; L339-I353 HydrophobicContact CG-CG2 4.06Å
340	D	97.8	Very high	88.4	Confident	25 Å²	25	39.5 Å²	39.5	13%	0.134	22%	0.224	C	C	.	.			trans	-101.1	-31	-179.5	-58.7	-27.3	0	0	0	112.7	D296 F354 K355 G356 I387 D388	D296-D340 CarbonylContact O-C 3.55Å; D340-F354 PolarHBondContact N-O 3.36Å; D340-K355 IonicContact OD1-NZ 2.89Å; D340-K355 PolarHBondContact OD1-NZ 3.09Å; D340-K355 IonicContact OD2-NZ 3.26Å; D340-G356 PolarHBondContact OD2-N 3.12Å; D340-I387 CarbonylContact C-O 3.57Å; D340-I387 VanDerWaalsContact CB-O 3.27Å; D340-I387 WeakPolarHBondContact CB-O 3.29Å; D340-D388 CarbonylContact O-C 3.36Å
341	A	98.4	Very high	89.9	Confident	1 Å²	1	35 Å²	35	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	158.5	174.3	0	0	0	0	0	110.8	F354 I387 A390	A341-F354 HydrophobicContact CB-CB 4.08Å; A341-F354 HydrophobicContact CB-CD2 4.23Å; A341-F354 HydrophobicContact CB-CG 4.39Å; A341-F354 PolarHBondContact N-O 2.85Å; A341-F354 PolarHBondContact O-N 3.35Å; A341-I387 HydrophobicContact CB-CB 4.46Å; A341-I387 HydrophobicContact CB-CG2 4.12Å; A341-A390 HydrophobicContact CB-CB 4.1Å
342	A	98.2	Very high	90.9	Very high	1 Å²	1	34 Å²	34	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	148.1	173.1	0	0	0	0	0	110.8	A297 F308 F352 I353 A390	A297-A342 HydrophobicContact CB-CB 4.04Å; F308-A342 HydrophobicContact CD2-CB 4.44Å; F308-A342 HydrophobicContact CE2-CB 4.21Å; A342-F352 CarbonylContact C-O 3.56Å; A342-F352 WeakPolarHBondContact CA-O 3.02Å; A342-I353 HydrophobicContact CB-CG1 4.01Å; A342-A390 VanDerWaalsContact O-O 3.05Å
343	Y	97.8	Very high	91.5	Very high	6 Å²	6	33.8 Å²	33.8	2%	0.024	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	153.6	172.2	76.6	-83.4	0	0	0	112.7	S299 V345 V351 F352 F354 A390 T399 F401 E412	S299-Y343 VanDerWaalsContact OG-C 3.22Å; S299-Y343 WeakPolarHBondContact OG-CA 3.13Å; Y343-V345 HydrophobicContact CD2-CG2 4.01Å; Y343-V345 HydrophobicContact CE2-CG2 3.34Å; Y343-V351 CarbonylContact O-C 3.44Å; Y343-V351 WeakPolarHBondContact O-CA 3.41Å; Y343-F352 HydrophobicContact CD1-CB 3.93Å; Y343-F352 HydrophobicContact CE1-CB 3.52Å; Y343-F352 HydrophobicContact CE1-CD2 4.15Å; Y343-F352 HydrophobicContact CE1-CG 4.1Å; Y343-F352 AromaticContact CE2-CD2 4Å; Y343-F352 HydrophobicContact CE2-CD2 4Å; Y343-F352 AromaticContact CZ-CD2 3.68Å; Y343-F352 PolarHBondContact N-O 2.96Å; Y343-F352 PolarHBondContact O-N 3.18Å; Y343-F354 AromaticContact CD1-CE2 3.68Å; Y343-F354 HydrophobicContact CD1-CE2 3.68Å; Y343-F354 HydrophobicContact CD1-CZ 4.4Å; Y343-F354 AromaticContact CE1-CE2 3.47Å; Y343-F354 HydrophobicContact CE1-CE2 3.47Å; Y343-F354 VanDerWaalsContact CE1-CE2 3.47Å; Y343-F354 AromaticContact CE1-CZ 3.75Å; Y343-F354 HydrophobicContact CE1-CZ 3.75Å; Y343-A390 HydrophobicContact CD1-CB 3.66Å; Y343-A390 HydrophobicContact CG-CB 4.16Å; Y343-T399 HydrophobicContact CD1-CG2 4.24Å; Y343-T399 HydrophobicContact CD2-CG2 3.8Å; Y343-T399 HydrophobicContact CE1-CG2 3.98Å; Y343-T399 HydrophobicContact CE2-CG2 3.46Å; Y343-T399 VanDerWaalsContact CE2-CG2 3.46Å; Y343-T399 WeakPolarHBondContact CE2-OG1 3.4Å; Y343-T399 HydrophobicContact CG-CG2 4.16Å; Y343-F401 HydrophobicContact CD1-CE1 4.08Å; Y343-F401 AromaticContact CE1-CE1 3.55Å; Y343-F401 HydrophobicContact CE1-CE1 3.55Å; Y343-F401 AromaticContact CE1-CZ 3.76Å; Y343-F401 HydrophobicContact CE1-CZ 3.76Å; Y343-F401 AromaticContact CZ-CZ 3.97Å; Y343-E412 PolarHBondContact OH-OE1 2.99Å
344	E	96.3	Very high	92.7	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.037	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134	176.5	-167	179	-167.4	0	0	112.2	S299 T300 L301 R302 V351 S392	S299-E344 PolarHBondContact OG-N 3.36Å; T300-E344 VanDerWaalsContact C-OE2 3.26Å; T300-E344 VanDerWaalsContact CB-OE2 3.23Å; T300-E344 WeakPolarHBondContact CB-OE2 3.26Å; T300-E344 WeakPolarHBondContact O-CB 3.42Å; T300-E344 WeakPolarHBondContact OG1-CB 3.41Å; T300-E344 PolarHBondContact OG1-OE2 3.45Å; L301-E344 WeakPolarHBondContact CA-OE2 3.26Å; L301-E344 PolarHBondContact N-OE2 3.02Å; R302-E344 PolarHBondContact N-OE1 3.35Å; R302-E344 PolarHBondContact N-OE2 3.08Å; E344-V351 HydrophobicContact CB-CG2 3.96Å; E344-V351 HydrophobicContact CG-CG2 3.86Å; E344-S392 VanDerWaalsContact O-CB 3.25Å; E344-S392 WeakPolarHBondContact O-CB 3.27Å; E344-S392 PolarHBondContact O-OG 3.03Å
345	V	94.7	Very high	93.5	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	92.6	162.7	-176.3	0	0	0	0	108.6	Y343 S347 R348 D349 T350 F352	Y343-V345 HydrophobicContact CD2-CG2 4.01Å; Y343-V345 HydrophobicContact CE2-CG2 3.34Å; V345-S347 PolarHBondContact O-N 3.43Å; V345-S347 VanDerWaalsContact O-N 3.12Å; V345-R348 HydrophobicContact CB-CB 4.33Å; V345-R348 HydrophobicContact CG1-CB 4.09Å; V345-R348 HydrophobicContact CG1-CG 3.84Å; V345-R348 PolarHBondContact O-N 3.32Å; V345-D349 PolarHBondContact O-N 3.21Å; V345-T350 PolarHBondContact N-O 3.47Å; V345-F352 HydrophobicContact CB-CE2 4.31Å; V345-F352 HydrophobicContact CG2-CD2 3.97Å; V345-F352 HydrophobicContact CG2-CE2 3.75Å
346	N	87.9	Confident	94	Very high	61 Å²	61	28.7 Å²	28.7	33%	0.326	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-58	-33.6	-172	-57.3	39.4	0	0	0	113	R348 D349 K394	N346-R348 PolarHBondContact O-N 3.34Å; N346-D349 PolarHBondContact O-N 3.16Å; N346-K394 HydrophobicContact CB-CD 4.39Å
347	S	86.2	Confident	94.4	Very high	85 Å²	85	31 Å²	31	59%	0.594	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-69.6	-17.6	178.4	49.6	0	0	0	0	113.8	V345	V345-S347 PolarHBondContact O-N 3.43Å; V345-S347 VanDerWaalsContact O-N 3.12Å
348	R	88.3	Confident	94.9	Very high	75 Å²	75	32.8 Å²	32.8	28%	0.283	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-103.1	-6.7	176.2	-65	-175	179	142.9	11.7	112.8	V345 N346 T350 R363 E412 Q415	V345-R348 HydrophobicContact CB-CB 4.33Å; V345-R348 HydrophobicContact CG1-CB 4.09Å; V345-R348 HydrophobicContact CG1-CG 3.84Å; V345-R348 PolarHBondContact O-N 3.32Å; N346-R348 PolarHBondContact O-N 3.34Å; R348-T350 VanDerWaalsContact C-N 3.29Å; R348-T350 PolarHBondContact O-N 2.72Å; R348-T350 PolarHBondContact O-OG1 3.21Å; R348-R363 PolarHBondContact O-NH2 3.3Å; R348-E412 IonicContact CZ-OE2 2.82Å; R348-E412 IonicContact NH1-OE2 3.51Å; R348-E412 PolarHBondContact NH1-OE2 3.18Å; R348-E412 PolarHBondContact NH2-O 3.5Å; R348-E412 IonicContact NH2-OE2 2.72Å; R348-Q415 VanDerWaalsContact CZ-NE2 3.35Å; R348-Q415 VanDerWaalsContact NH2-NE2 3.18Å
349	D	87.5	Confident	95.2	Very high	44 Å²	44	28.1 Å²	28.1	24%	0.235	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	56.3	-169.6	-176.9	44.6	0	0	0	109.6	R302 V345 N346 R363	R302-D349 IonicContact CZ-OD1 3.42Å; R302-D349 IonicContact CZ-OD2 2.93Å; R302-D349 IonicContact NE-OD1 3.89Å; R302-D349 PolarHBondContact NE-OD1 3.34Å; R302-D349 IonicContact NE-OD2 3.46Å; R302-D349 IonicContact NH2-OD1 3.61Å; R302-D349 PolarHBondContact NH2-OD1 3.14Å; R302-D349 IonicContact NH2-OD2 3.17Å; R302-D349 PolarHBondContact NH2-OD2 3.19Å; V345-D349 PolarHBondContact O-N 3.21Å; N346-D349 PolarHBondContact O-N 3.16Å; D349-R363 VanDerWaalsContact O-CG 3.3Å; D349-R363 WeakPolarHBondContact O-CG 3.21Å; D349-R363 PolarHBondContact O-NE 3.12Å
350	T	94.8	Very high	95.3	Very high	9 Å²	9	29 Å²	29	6%	0.055	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	128.7	-172.6	-57.6	0	0	0	0	109.8	V345 R348 F352 A361 I362	V345-T350 PolarHBondContact N-O 3.47Å; R348-T350 VanDerWaalsContact C-N 3.29Å; R348-T350 PolarHBondContact O-N 2.72Å; R348-T350 PolarHBondContact O-OG1 3.21Å; T350-F352 HydrophobicContact CG2-CD2 4.26Å; T350-F352 HydrophobicContact CG2-CE1 4.26Å; T350-F352 HydrophobicContact CG2-CE2 3.82Å; T350-F352 HydrophobicContact CG2-CZ 3.83Å; T350-A361 HydrophobicContact CG2-CB 3.79Å; T350-I362 CarbonylContact C-O 3.58Å; T350-I362 VanDerWaalsContact CA-O 3.3Å; T350-I362 WeakPolarHBondContact CA-O 3.21Å
351	V	96.8	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.8	168.1	176.1	0	0	0	0	108	T300 L301 Y343 E344 I353 A361 I362	T300-V351 WeakPolarHBondContact O-CG2 3.28Å; L301-V351 HydrophobicContact CB-CG2 4.19Å; L301-V351 HydrophobicContact CD1-CG2 3.71Å; Y343-V351 CarbonylContact O-C 3.44Å; Y343-V351 WeakPolarHBondContact O-CA 3.41Å; E344-V351 HydrophobicContact CB-CG2 3.96Å; E344-V351 HydrophobicContact CG-CG2 3.86Å; V351-I353 HydrophobicContact CG1-CG1 4.13Å; V351-A361 WeakPolarHBondContact O-CA 3.29Å; V351-I362 HydrophobicContact CB-CD1 3.71Å; V351-I362 HydrophobicContact CB-CG1 3.73Å; V351-I362 HydrophobicContact CG1-CD1 3.8Å; V351-I362 HydrophobicContact CG1-CG1 4.16Å; V351-I362 PolarHBondContact N-O 2.91Å; V351-I362 WeakPolarHBondContact O-CG1 3.43Å; V351-I362 PolarHBondContact O-N 3.31Å
352	F	97.7	Very high	94.9	Very high	14 Å²	14	28 Å²	28	6%	0.061	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.7	173.2	-68.1	-84.6	0	0	0	108.7	A342 Y343 V345 T350 F354 F359 W360 A361 Y371	A342-F352 CarbonylContact C-O 3.56Å; A342-F352 WeakPolarHBondContact CA-O 3.02Å; Y343-F352 HydrophobicContact CD1-CB 3.93Å; Y343-F352 HydrophobicContact CE1-CB 3.52Å; Y343-F352 HydrophobicContact CE1-CD2 4.15Å; Y343-F352 HydrophobicContact CE1-CG 4.1Å; Y343-F352 AromaticContact CE2-CD2 4Å; Y343-F352 HydrophobicContact CE2-CD2 4Å; Y343-F352 AromaticContact CZ-CD2 3.68Å; Y343-F352 PolarHBondContact N-O 2.96Å; Y343-F352 PolarHBondContact O-N 3.18Å; V345-F352 HydrophobicContact CB-CE2 4.31Å; V345-F352 HydrophobicContact CG2-CD2 3.97Å; V345-F352 HydrophobicContact CG2-CE2 3.75Å; T350-F352 HydrophobicContact CG2-CD2 4.26Å; T350-F352 HydrophobicContact CG2-CE1 4.26Å; T350-F352 HydrophobicContact CG2-CE2 3.82Å; T350-F352 HydrophobicContact CG2-CZ 3.83Å; F352-F354 HydrophobicContact CB-CE2 3.82Å; F352-F354 HydrophobicContact CB-CZ 4.31Å; F352-F359 AromaticContact CD1-CD2 3.8Å; F352-F359 HydrophobicContact CD1-CD2 3.8Å; F352-F359 AromaticContact CD1-CE2 3.78Å; F352-F359 HydrophobicContact CD1-CE2 3.78Å; F352-F359 HydrophobicContact CE1-CD2 4.49Å; F352-F359 HydrophobicContact CE1-CE2 4.04Å; F352-W360 CarbonylContact C-O 3.57Å; F352-W360 VanDerWaalsContact CA-O 3.24Å; F352-W360 WeakPolarHBondContact CA-O 3.29Å; F352-A361 HydrophobicContact CD1-CB 3.83Å; F352-A361 HydrophobicContact CE1-CB 3.59Å; F352-A361 HydrophobicContact CZ-CB 4.37Å; F352-Y371 HydrophobicContact CE1-CE1 4.37Å
353	I	98	Very high	94.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.5	-178.3	-70.2	-179.8	0	0	0	108.8	F308 L335 L339 A342 V351 F359 W360 I362	F308-I353 HydrophobicContact CZ-CD1 4.34Å; L335-I353 HydrophobicContact CD1-CD1 3.42Å; L335-I353 VanDerWaalsContact CD1-CD1 3.42Å; L335-I353 HydrophobicContact CD2-CG2 4.37Å; L339-I353 HydrophobicContact CB-CG2 4.45Å; L339-I353 HydrophobicContact CD1-CD1 4.22Å; L339-I353 HydrophobicContact CD1-CG2 3.67Å; L339-I353 HydrophobicContact CD2-CG2 3.53Å; L339-I353 HydrophobicContact CG-CG2 4.06Å; A342-I353 HydrophobicContact CB-CG1 4.01Å; V351-I353 HydrophobicContact CG1-CG1 4.13Å; I353-F359 CarbonylContact O-C 3.56Å; I353-F359 WeakPolarHBondContact O-CA 3.47Å; I353-F359 VanDerWaalsContact O-CB 3.31Å; I353-F359 WeakPolarHBondContact O-CB 3.39Å; I353-W360 PolarHBondContact N-O 2.92Å; I353-W360 PolarHBondContact O-N 3.28Å; I353-I362 HydrophobicContact CD1-CD1 3.35Å; I353-I362 HydrophobicContact CD1-CG1 4.19Å; I353-I362 HydrophobicContact CG1-CD1 4Å; I353-I362 HydrophobicContact CG1-CG1 4.45Å
354	F	98.3	Very high	93.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.9	-174.4	-65.2	-99.2	0	0	0	110.6	D340 A341 Y343 F352 F359 I375 L378 I387 F401	D340-F354 PolarHBondContact N-O 3.36Å; A341-F354 HydrophobicContact CB-CB 4.08Å; A341-F354 HydrophobicContact CB-CD2 4.23Å; A341-F354 HydrophobicContact CB-CG 4.39Å; A341-F354 PolarHBondContact N-O 2.85Å; A341-F354 PolarHBondContact O-N 3.35Å; Y343-F354 AromaticContact CD1-CE2 3.68Å; Y343-F354 HydrophobicContact CD1-CE2 3.68Å; Y343-F354 HydrophobicContact CD1-CZ 4.4Å; Y343-F354 AromaticContact CE1-CE2 3.47Å; Y343-F354 HydrophobicContact CE1-CE2 3.47Å; Y343-F354 VanDerWaalsContact CE1-CE2 3.47Å; Y343-F354 AromaticContact CE1-CZ 3.75Å; Y343-F354 HydrophobicContact CE1-CZ 3.75Å; F352-F354 HydrophobicContact CB-CE2 3.82Å; F352-F354 HydrophobicContact CB-CZ 4.31Å; F354-F359 HydrophobicContact CD1-CB 3.39Å; F354-F359 HydrophobicContact CD1-CG 4.18Å; F354-F359 HydrophobicContact CD2-CB 4.38Å; F354-F359 HydrophobicContact CE1-CB 3.41Å; F354-F359 VanDerWaalsContact CE1-CB 3.41Å; F354-F359 HydrophobicContact CE1-CD1 4.2Å; F354-F359 HydrophobicContact CE1-CD2 4.17Å; F354-F359 AromaticContact CE1-CG 3.7Å; F354-F359 HydrophobicContact CE1-CG 3.7Å; F354-F359 HydrophobicContact CE2-CB 4.36Å; F354-F359 HydrophobicContact CG-CB 3.9Å; F354-F359 HydrophobicContact CZ-CB 3.91Å; F354-F359 HydrophobicContact CZ-CD2 4.09Å; F354-F359 HydrophobicContact CZ-CG 4.08Å; F354-I375 HydrophobicContact CD1-CG2 3.79Å; F354-I375 HydrophobicContact CE1-CG2 4.06Å; F354-L378 HydrophobicContact CE1-CD1 3.71Å; F354-L378 HydrophobicContact CZ-CD1 3.98Å; F354-I387 HydrophobicContact CD1-CD1 3.5Å; F354-I387 HydrophobicContact CD1-CG1 4.25Å; F354-I387 HydrophobicContact CE1-CD1 3.52Å; F354-I387 HydrophobicContact CG-CD1 4.29Å; F354-I387 HydrophobicContact CZ-CD1 4.34Å; F354-F401 HydrophobicContact CE1-CE1 4.31Å; F354-F401 HydrophobicContact CE2-CE1 4.12Å; F354-F401 AromaticContact CZ-CE1 3.71Å; F354-F401 HydrophobicContact CZ-CE1 3.71Å; F354-F401 HydrophobicContact CZ-CZ 4.25Å
355	K	97.6	Very high	92.5	Very high	64 Å²	64	38.1 Å²	38.1	28%	0.278	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	122.6	168.2	-176.9	64.7	-174.7	162.7	0	110	P336 Y338 D340 N357 E358 W360	P336-K355 HydrophobicContact CB-CB 4.5Å; P336-K355 HydrophobicContact CB-CG 4.1Å; P336-K355 HydrophobicContact CG-CB 3.57Å; P336-K355 HydrophobicContact CG-CG 3.7Å; Y338-K355 WeakPolarHBondContact O-CD 3.24Å; Y338-K355 WeakPolarHBondContact O-CE 3.44Å; Y338-K355 PolarHBondContact O-NZ 3.22Å; D340-K355 IonicContact OD1-NZ 2.89Å; D340-K355 PolarHBondContact OD1-NZ 3.09Å; D340-K355 IonicContact OD2-NZ 3.26Å; K355-N357 PolarHBondContact O-N 3.36Å; K355-E358 PolarHBondContact N-O 2.85Å; K355-E358 PolarHBondContact O-N 3.31Å; K355-E358 VanDerWaalsContact O-N 3.08Å; K355-E358 VanDerWaalsContact O-O 3.12Å; K355-W360 HydrophobicContact CB-CH2 4.24Å; K355-W360 HydrophobicContact CB-CZ3 3.78Å
356	G	96.1	Very high	91.8	Very high	24 Å²	24	44.7 Å²	44.7	25%	0.247	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-130.1	-173.6	0	0	0	0	0	110.6	D340 E358 R385 K386	D340-G356 PolarHBondContact OD2-N 3.12Å; G356-E358 VanDerWaalsContact C-N 3.28Å; G356-E358 PolarHBondContact O-N 2.77Å; G356-R385 CarbonylContact C-O 3.56Å; G356-R385 VanDerWaalsContact O-O 3.1Å; G356-K386 VanDerWaalsContact O-CA 3.31Å; G356-K386 WeakPolarHBondContact O-CA 3.21Å
357	N	95.4	Very high	91.9	Very high	87 Å²	87	43.8 Å²	43.8	47%	0.465	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	10.8	179.9	66.5	-29.7	0	0	0	113.2	K355 G374 I375 R385	K355-N357 PolarHBondContact O-N 3.36Å; N357-G374 CarbonylContact O-C 3.59Å; N357-G374 VanDerWaalsContact O-CA 3.28Å; N357-G374 WeakPolarHBondContact O-CA 3.3Å; N357-I375 HydrophobicContact CB-CG1 4.47Å; N357-I375 PolarHBondContact O-N 2.9Å; N357-R385 WeakPolarHBondContact CA-O 3.05Å; N357-R385 PolarHBondContact N-O 2.93Å; N357-R385 VanDerWaalsContact N-O 3.11Å
358	E	97.2	Very high	92.3	Very high	79 Å²	79	42.1 Å²	42.1	37%	0.369	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	155.8	-177.1	-67.1	-172.5	123.4	0	0	112.2	K355 G356 W360 P372 R373	K355-E358 PolarHBondContact N-O 2.85Å; K355-E358 PolarHBondContact O-N 3.31Å; K355-E358 VanDerWaalsContact O-N 3.08Å; K355-E358 VanDerWaalsContact O-O 3.12Å; G356-E358 VanDerWaalsContact C-N 3.28Å; G356-E358 PolarHBondContact O-N 2.77Å; E358-W360 HydrophobicContact CB-CH2 3.88Å; E358-W360 HydrophobicContact CB-CZ3 3.98Å; E358-P372 HydrophobicContact CB-CB 4.07Å; E358-P372 HydrophobicContact CG-CB 4.46Å; E358-R373 CarbonylContact C-O 2.98Å; E358-R373 VanDerWaalsContact CA-O 3.28Å; E358-R373 WeakPolarHBondContact CA-O 3.48Å
359	F	97.9	Very high	92.5	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.5	172.1	75.5	-77.7	0	0	0	112.2	F352 I353 F354 Y371 P372 R373 I375 L378	F352-F359 AromaticContact CD1-CD2 3.8Å; F352-F359 HydrophobicContact CD1-CD2 3.8Å; F352-F359 AromaticContact CD1-CE2 3.78Å; F352-F359 HydrophobicContact CD1-CE2 3.78Å; F352-F359 HydrophobicContact CE1-CD2 4.49Å; F352-F359 HydrophobicContact CE1-CE2 4.04Å; I353-F359 CarbonylContact O-C 3.56Å; I353-F359 WeakPolarHBondContact O-CA 3.47Å; I353-F359 VanDerWaalsContact O-CB 3.31Å; I353-F359 WeakPolarHBondContact O-CB 3.39Å; F354-F359 HydrophobicContact CD1-CB 3.39Å; F354-F359 HydrophobicContact CD1-CG 4.18Å; F354-F359 HydrophobicContact CD2-CB 4.38Å; F354-F359 HydrophobicContact CE1-CB 3.41Å; F354-F359 VanDerWaalsContact CE1-CB 3.41Å; F354-F359 HydrophobicContact CE1-CD1 4.2Å; F354-F359 HydrophobicContact CE1-CD2 4.17Å; F354-F359 AromaticContact CE1-CG 3.7Å; F354-F359 HydrophobicContact CE1-CG 3.7Å; F354-F359 HydrophobicContact CE2-CB 4.36Å; F354-F359 HydrophobicContact CG-CB 3.9Å; F354-F359 HydrophobicContact CZ-CB 3.91Å; F354-F359 HydrophobicContact CZ-CD2 4.09Å; F354-F359 HydrophobicContact CZ-CG 4.08Å; F359-Y371 HydrophobicContact CD2-CD1 4.46Å; F359-Y371 HydrophobicContact CD2-CE1 4.03Å; F359-Y371 HydrophobicContact CE2-CD1 4.35Å; F359-Y371 AromaticContact CE2-CE1 3.55Å; F359-Y371 HydrophobicContact CE2-CE1 3.55Å; F359-Y371 HydrophobicContact CZ-CE1 4.03Å; F359-Y371 WeakPolarHBondContact O-CD1 3.44Å; F359-P372 CarbonylContact O-C 3.51Å; F359-P372 VanDerWaalsContact O-CA 3.25Å; F359-P372 WeakPolarHBondContact O-CA 3.47Å; F359-R373 HydrophobicContact CD1-CB 4.16Å; F359-R373 WeakPolarHBondContact CD1-O 3.12Å; F359-R373 HydrophobicContact CE1-CB 3.58Å; F359-R373 HydrophobicContact CZ-CB 3.93Å; F359-R373 PolarHBondContact N-O 2.7Å; F359-R373 PolarHBondContact O-N 2.96Å; F359-I375 HydrophobicContact CD1-CG2 4.19Å; F359-L378 HydrophobicContact CD1-CD1 4.29Å; F359-L378 HydrophobicContact CE1-CD1 4.03Å; F359-L378 HydrophobicContact CE1-CD2 4.31Å; F359-L378 HydrophobicContact CE1-CG 3.95Å; F359-L378 HydrophobicContact CE2-CD1 4.41Å; F359-L378 HydrophobicContact CE2-CD2 4.25Å; F359-L378 HydrophobicContact CZ-CD1 4.1Å; F359-L378 HydrophobicContact CZ-CD2 3.75Å; F359-L378 HydrophobicContact CZ-CG 3.91Å
360	W	97.9	Very high	92.6	Very high	21 Å²	21	43.6 Å²	43.6	8%	0.08	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	148.6	179.3	-66.6	-104.5	0	0	0	109.6	L335 P336 F352 I353 K355 E358 P372	L335-W360 HydrophobicContact CD2-CB 3.56Å; L335-W360 HydrophobicContact CD2-CD2 3.74Å; L335-W360 HydrophobicContact CD2-CE3 4.3Å; L335-W360 HydrophobicContact CD2-CG 3.38Å; P336-W360 HydrophobicContact CG-CH2 3.72Å; P336-W360 HydrophobicContact CG-CZ2 4.18Å; P336-W360 HydrophobicContact CG-CZ3 3.94Å; F352-W360 CarbonylContact C-O 3.57Å; F352-W360 VanDerWaalsContact CA-O 3.24Å; F352-W360 WeakPolarHBondContact CA-O 3.29Å; I353-W360 PolarHBondContact N-O 2.92Å; I353-W360 PolarHBondContact O-N 3.28Å; K355-W360 HydrophobicContact CB-CH2 4.24Å; K355-W360 HydrophobicContact CB-CZ3 3.78Å; E358-W360 HydrophobicContact CB-CH2 3.88Å; E358-W360 HydrophobicContact CB-CZ3 3.98Å; W360-P372 HydrophobicContact CD2-CB 4.01Å; W360-P372 HydrophobicContact CG-CB 4.4Å; W360-P372 HydrophobicContact CH2-CB 4.24Å; W360-P372 HydrophobicContact CZ2-CB 3.72Å; W360-P372 HydrophobicContact CZ2-CG 3.89Å
361	A	96.7	Very high	92.6	Very high	2 Å²	2	46 Å²	46	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.5	165.8	0	0	0	0	0	109.1	T350 V351 F352 Q368 Y371	T350-A361 HydrophobicContact CG2-CB 3.79Å; V351-A361 WeakPolarHBondContact O-CA 3.29Å; F352-A361 HydrophobicContact CD1-CB 3.83Å; F352-A361 HydrophobicContact CE1-CB 3.59Å; F352-A361 HydrophobicContact CZ-CB 4.37Å; A361-Q368 HydrophobicContact CB-CB 4.15Å; A361-Q368 HydrophobicContact CB-CG 4.13Å; A361-Q368 WeakPolarHBondContact O-CG 3.36Å; A361-Q368 PolarHBondContact O-N 2.9Å; A361-Y371 HydrophobicContact CB-CD1 4.07Å; A361-Y371 HydrophobicContact CB-CD2 3.75Å; A361-Y371 HydrophobicContact CB-CE1 3.77Å; A361-Y371 HydrophobicContact CB-CE2 3.42Å; A361-Y371 VanDerWaalsContact CB-CE2 3.42Å; A361-Y371 HydrophobicContact CB-CG 4.06Å; A361-Y371 VanDerWaalsContact CB-CZ 3.42Å
362	I	92.1	Very high	92.6	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.5	179.3	36.6	160.3	0	0	0	110.4	W332 T350 V351 I353 E366 V367	W332-I362 HydrophobicContact CD2-CD1 4.26Å; W332-I362 HydrophobicContact CG-CG2 4.15Å; W332-I362 HydrophobicContact CH2-CD1 4.38Å; W332-I362 HydrophobicContact CZ2-CD1 3.78Å; T350-I362 CarbonylContact C-O 3.58Å; T350-I362 VanDerWaalsContact CA-O 3.3Å; T350-I362 WeakPolarHBondContact CA-O 3.21Å; V351-I362 HydrophobicContact CB-CD1 3.71Å; V351-I362 HydrophobicContact CB-CG1 3.73Å; V351-I362 HydrophobicContact CG1-CD1 3.8Å; V351-I362 HydrophobicContact CG1-CG1 4.16Å; V351-I362 PolarHBondContact N-O 2.91Å; V351-I362 WeakPolarHBondContact O-CG1 3.43Å; V351-I362 PolarHBondContact O-N 3.31Å; I353-I362 HydrophobicContact CD1-CD1 3.35Å; I353-I362 HydrophobicContact CD1-CG1 4.19Å; I353-I362 HydrophobicContact CG1-CD1 4Å; I353-I362 HydrophobicContact CG1-CG1 4.45Å; I362-E366 WeakPolarHBondContact CA-O 3.26Å; I362-V367 HydrophobicContact CG2-CB 4.28Å; I362-V367 HydrophobicContact CG2-CG2 3.58Å
363	R	86.6	Confident	92.5	Very high	112 Å²	112	53.4 Å²	53.4	42%	0.423	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	111.4	172	178.5	176.8	-69.9	163.9	-1.5	108.3	R348 D349 N365 E366	R348-R363 PolarHBondContact O-NH2 3.3Å; D349-R363 VanDerWaalsContact O-CG 3.3Å; D349-R363 WeakPolarHBondContact O-CG 3.21Å; D349-R363 PolarHBondContact O-NE 3.12Å; R363-N365 PolarHBondContact O-N 3.38Å; R363-E366 PolarHBondContact N-O 3.22Å; R363-E366 PolarHBondContact O-N 2.89Å; R363-E366 VanDerWaalsContact O-N 3.12Å
364	G	79.9	Confident	92.5	Very high	14 Å²	14	54.6 Å²	54.6	14%	0.144	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	-122.5	-167.4	0	0	0	0	0	110.4	W332	W332-G364 PolarHBondContact NE1-O 2.99Å
365	N	74.7	Confident	92.5	Very high	102 Å²	102	54.6 Å²	54.6	55%	0.545	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	6.6	-179.4	-62.7	2.4	0	0	0	113.2	R363	R363-N365 PolarHBondContact O-N 3.38Å
366	E	81.3	Confident	92.4	Very high	141 Å²	141	55.4 Å²	55.4	66%	0.659	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.9	-174.7	-67.1	-178.9	-176.3	0	0	112.1	I362 R363 Q368	I362-E366 WeakPolarHBondContact CA-O 3.26Å; R363-E366 PolarHBondContact N-O 3.22Å; R363-E366 PolarHBondContact O-N 2.89Å; R363-E366 VanDerWaalsContact O-N 3.12Å; E366-Q368 PolarHBondContact O-NE2 3.3Å; E366-Q368 VanDerWaalsContact O-NE2 3.08Å
367	V	88.7	Confident	92.4	Very high	41 Å²	41	58.8 Å²	58.8	25%	0.248	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.9	165.5	177.4	0	0	0	0	108.9	S334 L335 I362	S334-V367 VanDerWaalsContact OG-CG2 3.31Å; S334-V367 WeakPolarHBondContact OG-CG2 3.35Å; L335-V367 HydrophobicContact CG-CG2 4.48Å; I362-V367 HydrophobicContact CG2-CB 4.28Å; I362-V367 HydrophobicContact CG2-CG2 3.58Å
368	Q	94	Very high	92.4	Very high	50 Å²	50	55.7 Å²	55.7	23%	0.234	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-74.5	147.8	-173	-60.4	-58.9	-75.2	0	0	112.1	A361 E366 Y371	A361-Q368 HydrophobicContact CB-CB 4.15Å; A361-Q368 HydrophobicContact CB-CG 4.13Å; A361-Q368 WeakPolarHBondContact O-CG 3.36Å; A361-Q368 PolarHBondContact O-N 2.9Å; E366-Q368 PolarHBondContact O-NE2 3.3Å; E366-Q368 VanDerWaalsContact O-NE2 3.08Å; Q368-Y371 HydrophobicContact CB-CD2 3.91Å; Q368-Y371 HydrophobicContact CB-CE2 4.17Å; Q368-Y371 WeakPolarHBondContact O-CD2 3.37Å; Q368-Y371 PolarHBondContact O-N 3.45Å
369	A	92.4	Very high	92.3	Very high	98 Å²	98	54.4 Å²	54.4	81%	0.81	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	142.3	178.7	0	0	0	0	0	112.1
370	G	90.8	Very high	92.2	Very high	53 Å²	53	54.5 Å²	54.5	55%	0.546	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	18.2	-178.1	0	0	0	0	0	114.4	R373	G370-R373 WeakPolarHBondContact O-CG 3.3Å; G370-R373 PolarHBondContact O-NE 2.92Å
371	Y	94.3	Very high	92	Very high	58 Å²	58	56 Å²	56	23%	0.227	33%	0.328	C	S	.	.			trans	-117.2	152.9	167.5	-70	-88.5	0	0	0	110.3	F352 F359 A361 Q368 R373	F352-Y371 HydrophobicContact CE1-CE1 4.37Å; F359-Y371 HydrophobicContact CD2-CD1 4.46Å; F359-Y371 HydrophobicContact CD2-CE1 4.03Å; F359-Y371 HydrophobicContact CE2-CD1 4.35Å; F359-Y371 AromaticContact CE2-CE1 3.55Å; F359-Y371 HydrophobicContact CE2-CE1 3.55Å; F359-Y371 HydrophobicContact CZ-CE1 4.03Å; F359-Y371 WeakPolarHBondContact O-CD1 3.44Å; A361-Y371 HydrophobicContact CB-CD1 4.07Å; A361-Y371 HydrophobicContact CB-CD2 3.75Å; A361-Y371 HydrophobicContact CB-CE1 3.77Å; A361-Y371 HydrophobicContact CB-CE2 3.42Å; A361-Y371 VanDerWaalsContact CB-CE2 3.42Å; A361-Y371 HydrophobicContact CB-CG 4.06Å; A361-Y371 VanDerWaalsContact CB-CZ 3.42Å; Q368-Y371 HydrophobicContact CB-CD2 3.91Å; Q368-Y371 HydrophobicContact CB-CE2 4.17Å; Q368-Y371 WeakPolarHBondContact O-CD2 3.37Å; Q368-Y371 PolarHBondContact O-N 3.45Å; Y371-R373 HydrophobicContact CD1-CB 4.22Å; Y371-R373 HydrophobicContact CD1-CG 3.84Å; Y371-R373 HydrophobicContact CE1-CB 4.33Å; Y371-R373 HydrophobicContact CE1-CG 3.97Å; Y371-R373 HydrophobicContact CG-CG 4.43Å
372	P	96.4	Very high	91.9	Very high	55 Å²	55	61.2 Å²	61.2	36%	0.357	36%	0.361	S	S	.	.	S	Bend	cis	-67	157.9	2.6	25	-31.3	0	0	0	114.3	E358 F359 W360	E358-P372 HydrophobicContact CB-CB 4.07Å; E358-P372 HydrophobicContact CG-CB 4.46Å; F359-P372 CarbonylContact O-C 3.51Å; F359-P372 VanDerWaalsContact O-CA 3.25Å; F359-P372 WeakPolarHBondContact O-CA 3.47Å; W360-P372 HydrophobicContact CD2-CB 4.01Å; W360-P372 HydrophobicContact CG-CB 4.4Å; W360-P372 HydrophobicContact CH2-CB 4.24Å; W360-P372 HydrophobicContact CZ2-CB 3.72Å; W360-P372 HydrophobicContact CZ2-CG 3.89Å
373	R	96.9	Very high	92	Very high	115 Å²	115	66.6 Å²	66.6	43%	0.434	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.7	171.2	-67.9	-174.4	177.8	-168.7	-1.7	109.9	E358 F359 G370 Y371	E358-R373 CarbonylContact C-O 2.98Å; E358-R373 VanDerWaalsContact CA-O 3.28Å; E358-R373 WeakPolarHBondContact CA-O 3.48Å; F359-R373 HydrophobicContact CD1-CB 4.16Å; F359-R373 WeakPolarHBondContact CD1-O 3.12Å; F359-R373 HydrophobicContact CE1-CB 3.58Å; F359-R373 HydrophobicContact CZ-CB 3.93Å; F359-R373 PolarHBondContact N-O 2.7Å; F359-R373 PolarHBondContact O-N 2.96Å; G370-R373 WeakPolarHBondContact O-CG 3.3Å; G370-R373 PolarHBondContact O-NE 2.92Å; Y371-R373 HydrophobicContact CD1-CB 4.22Å; Y371-R373 HydrophobicContact CD1-CG 3.84Å; Y371-R373 HydrophobicContact CE1-CB 4.33Å; Y371-R373 HydrophobicContact CE1-CG 3.97Å; Y371-R373 HydrophobicContact CG-CG 4.43Å
374	G	97.4	Very high	92.5	Very high	26 Å²	26	62.3 Å²	62.3	27%	0.268	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137	176	0	0	0	0	0	112	N357 H376 T377	N357-G374 CarbonylContact O-C 3.59Å; N357-G374 VanDerWaalsContact O-CA 3.28Å; N357-G374 WeakPolarHBondContact O-CA 3.3Å; G374-H376 PolarHBondContact O-N 3.17Å; G374-T377 WeakPolarHBondContact O-CB 3.23Å; G374-T377 WeakPolarHBondContact O-CG2 3.35Å; G374-T377 PolarHBondContact O-N 2.92Å; G374-T377 PolarHBondContact O-OG1 3.18Å
375	I	97.4	Very high	93.2	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-57.1	-25.5	-179.4	61.6	174.9	0	0	0	113.2	F354 N357 F359 T377 L378 F380 I384 I387	F354-I375 HydrophobicContact CD1-CG2 3.79Å; F354-I375 HydrophobicContact CE1-CG2 4.06Å; N357-I375 HydrophobicContact CB-CG1 4.47Å; N357-I375 PolarHBondContact O-N 2.9Å; F359-I375 HydrophobicContact CD1-CG2 4.19Å; I375-T377 PolarHBondContact O-N 2.93Å; I375-T377 VanDerWaalsContact O-N 3.16Å; I375-L378 VanDerWaalsContact O-CB 3.28Å; I375-L378 WeakPolarHBondContact O-CB 3.22Å; I375-L378 PolarHBondContact O-N 2.97Å; I375-F380 HydrophobicContact CB-CD2 4.29Å; I375-F380 WeakPolarHBondContact O-CD2 3.34Å; I375-I384 HydrophobicContact CD1-CG2 4.17Å; I375-I387 HydrophobicContact CG2-CD1 4.34Å
376	H	96.3	Very high	94.2	Very high	81 Å²	81	70.7 Å²	70.7	38%	0.375	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-62	-21.8	175.8	-53.6	-57.6	0	0	0	113.2	G374 L378 G379 F380 I384	G374-H376 PolarHBondContact O-N 3.17Å; H376-L378 PolarHBondContact O-N 3.34Å; H376-G379 PolarHBondContact O-N 3.14Å; H376-F380 PolarHBondContact ND1-O 3.08Å; H376-I384 PolarHBondContact CE1-O 3.17Å; H376-I384 VanDerWaalsContact CE1-O 3.24Å
377	T	95.9	Very high	95	Very high	95 Å²	95	64 Å²	64	58%	0.583	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-66.7	-17.9	173	68.3	0	0	0	0	112.4	G374 I375 G379	G374-T377 WeakPolarHBondContact O-CB 3.23Å; G374-T377 WeakPolarHBondContact O-CG2 3.35Å; G374-T377 PolarHBondContact O-N 2.92Å; G374-T377 PolarHBondContact O-OG1 3.18Å; I375-T377 PolarHBondContact O-N 2.93Å; I375-T377 VanDerWaalsContact O-N 3.16Å; T377-G379 VanDerWaalsContact C-N 3.31Å
378	L	95.2	Very high	95.5	Very high	22 Å²	22	62.8 Å²	62.8	12%	0.115	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-84.9	-4.1	173.7	-56.9	172.8	0	0	0	112.5	F354 F359 I375 H376 F380 F401 F410 M417	F354-L378 HydrophobicContact CE1-CD1 3.71Å; F354-L378 HydrophobicContact CZ-CD1 3.98Å; F359-L378 HydrophobicContact CD1-CD1 4.29Å; F359-L378 HydrophobicContact CE1-CD1 4.03Å; F359-L378 HydrophobicContact CE1-CD2 4.31Å; F359-L378 HydrophobicContact CE1-CG 3.95Å; F359-L378 HydrophobicContact CE2-CD1 4.41Å; F359-L378 HydrophobicContact CE2-CD2 4.25Å; F359-L378 HydrophobicContact CZ-CD1 4.1Å; F359-L378 HydrophobicContact CZ-CD2 3.75Å; F359-L378 HydrophobicContact CZ-CG 3.91Å; I375-L378 VanDerWaalsContact O-CB 3.28Å; I375-L378 WeakPolarHBondContact O-CB 3.22Å; I375-L378 PolarHBondContact O-N 2.97Å; H376-L378 PolarHBondContact O-N 3.34Å; L378-F380 HydrophobicContact CB-CD2 4.07Å; L378-F380 HydrophobicContact CB-CE2 4.2Å; L378-F380 HydrophobicContact CD1-CE2 4.25Å; L378-F401 HydrophobicContact CD1-CZ 4.24Å; L378-F410 HydrophobicContact CB-CE2 4.41Å; L378-F410 HydrophobicContact CD2-CE2 4.45Å; L378-F410 HydrophobicContact CD2-CZ 4.36Å; L378-M417 HydrophobicContact CB-CE 4.3Å; L378-M417 WeakPolarHBondContact O-CE 3.38Å; L378-M417 WeakPolarHBondContact O-CG 3.37Å
379	G	94.5	Very high	95.7	Very high	51 Å²	51	60.4 Å²	60.4	53%	0.526	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	11	-179.4	0	0	0	0	0	115.1	H376 T377	H376-G379 PolarHBondContact O-N 3.14Å; T377-G379 VanDerWaalsContact C-N 3.31Å
380	F	96.6	Very high	96	Very high	7 Å²	7	55.9 Å²	55.9	3%	0.031	31%	0.314	C	S	.	.			trans	-69.4	140	172.4	-75.1	-76.7	0	0	0	112.1	I375 H376 L378 I384 I387 F401 W408 M417	I375-F380 HydrophobicContact CB-CD2 4.29Å; I375-F380 WeakPolarHBondContact O-CD2 3.34Å; H376-F380 PolarHBondContact ND1-O 3.08Å; L378-F380 HydrophobicContact CB-CD2 4.07Å; L378-F380 HydrophobicContact CB-CE2 4.2Å; L378-F380 HydrophobicContact CD1-CE2 4.25Å; F380-I384 HydrophobicContact CB-CB 4.4Å; F380-I384 HydrophobicContact CD1-CB 4.47Å; F380-I384 HydrophobicContact CD1-CG1 4.46Å; F380-I384 HydrophobicContact CD1-CG2 4.12Å; F380-I384 HydrophobicContact CG-CG2 4.48Å; F380-I387 HydrophobicContact CD2-CD1 4.28Å; F380-I387 HydrophobicContact CE2-CD1 3.44Å; F380-I387 VanDerWaalsContact CE2-CD1 3.44Å; F380-I387 HydrophobicContact CE2-CG1 4.31Å; F380-I387 HydrophobicContact CZ-CD1 3.63Å; F380-I387 HydrophobicContact CZ-CG1 4.22Å; F380-F401 HydrophobicContact CE1-CB 4.24Å; F380-F401 HydrophobicContact CE2-CD2 4.12Å; F380-F401 HydrophobicContact CE2-CE2 4.4Å; F380-F401 HydrophobicContact CE2-CG 4.26Å; F380-F401 HydrophobicContact CZ-CB 3.58Å; F380-F401 HydrophobicContact CZ-CD1 4.34Å; F380-F401 AromaticContact CZ-CD2 3.68Å; F380-F401 HydrophobicContact CZ-CD2 3.68Å; F380-F401 HydrophobicContact CZ-CE2 4.4Å; F380-F401 AromaticContact CZ-CG 3.63Å; F380-F401 HydrophobicContact CZ-CG 3.63Å; F380-W408 HydrophobicContact CD1-CD2 4.32Å; F380-W408 HydrophobicContact CD1-CG 4.32Å; F380-W408 HydrophobicContact CE1-CB 4.12Å; F380-W408 AromaticContact CE1-CD2 3.8Å; F380-W408 HydrophobicContact CE1-CD2 3.8Å; F380-W408 HydrophobicContact CE1-CE3 4.22Å; F380-W408 AromaticContact CE1-CG 3.74Å; F380-W408 HydrophobicContact CE1-CG 3.74Å; F380-M417 HydrophobicContact CD1-CE 4.15Å; F380-M417 HydrophobicContact CD2-CE 3.68Å; F380-M417 HydrophobicContact CE1-CE 3.79Å; F380-M417 HydrophobicContact CE2-CE 3.27Å; F380-M417 HydrophobicContact CG-CE 4.11Å; F380-M417 HydrophobicContact CZ-CE 3.33Å
381	P	94.9	Very high	96.3	Very high	52 Å²	52	53.8 Å²	53.8	34%	0.338	29%	0.291	S	S	.	.			trans	-66.2	154	176.5	26.6	-30.4	0	0	0	111.1	T383 I384	P381-T383 PolarHBondContact O-N 3.28Å; P381-I384 HydrophobicContact CG-CG1 3.89Å; P381-I384 PolarHBondContact O-N 3.33Å
382	P	93.8	Very high	96.4	Very high	111 Å²	111	51.7 Å²	51.7	72%	0.721	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.4	-177.7	-25.7	35	0	0	0	115.3	I384	P382-I384 VanDerWaalsContact C-N 3.31Å
383	T	95.1	Very high	96.2	Very high	114 Å²	114	49.2 Å²	49.2	70%	0.699	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-26.4	177.1	52.4	0	0	0	0	112.8	P381	P381-T383 PolarHBondContact O-N 3.28Å
384	I	96.6	Very high	95.8	Very high	23 Å²	23	49.5 Å²	49.5	12%	0.118	27%	0.273	C	S	.	.			trans	-83.5	121.4	-179.6	-59.5	-61.3	0	0	0	108.9	I375 H376 F380 P381 P382 K386 V403 W408	I375-I384 HydrophobicContact CD1-CG2 4.17Å; H376-I384 PolarHBondContact CE1-O 3.17Å; H376-I384 VanDerWaalsContact CE1-O 3.24Å; F380-I384 HydrophobicContact CB-CB 4.4Å; F380-I384 HydrophobicContact CD1-CB 4.47Å; F380-I384 HydrophobicContact CD1-CG1 4.46Å; F380-I384 HydrophobicContact CD1-CG2 4.12Å; F380-I384 HydrophobicContact CG-CG2 4.48Å; P381-I384 HydrophobicContact CG-CG1 3.89Å; P381-I384 PolarHBondContact O-N 3.33Å; P382-I384 VanDerWaalsContact C-N 3.31Å; I384-K386 WeakPolarHBondContact CG2-O 3.22Å; I384-V403 HydrophobicContact CD1-CG1 4.12Å; I384-V403 HydrophobicContact CG2-CG1 4.22Å; I384-V403 HydrophobicContact CG2-CG2 4.15Å; I384-W408 HydrophobicContact CD1-CH2 3.86Å; I384-W408 HydrophobicContact CD1-CZ2 3.89Å; I384-W408 HydrophobicContact CG1-CZ2 4.16Å
385	R	94.3	Very high	95.3	Very high	204 Å²	204	56.8 Å²	56.8	77%	0.77	30%	0.3	S	S	*	.			trans	-109.4	-15	-174.4	-63.7	-171.4	178.2	-164.7	0	114.5	G356 N357	G356-R385 CarbonylContact C-O 3.56Å; G356-R385 VanDerWaalsContact O-O 3.1Å; N357-R385 WeakPolarHBondContact CA-O 3.05Å; N357-R385 PolarHBondContact N-O 2.93Å; N357-R385 VanDerWaalsContact N-O 3.11Å
386	K	96.4	Very high	95	Very high	88 Å²	88	62.1 Å²	62.1	38%	0.383	32%	0.323	S	S	.	.			trans	-157.4	165.6	175.9	65.7	173	-175.7	124.1	0	110.2	G356 I384 D388 V403	G356-K386 VanDerWaalsContact O-CA 3.31Å; G356-K386 WeakPolarHBondContact O-CA 3.21Å; I384-K386 WeakPolarHBondContact CG2-O 3.22Å; K386-D388 WeakPolarHBondContact CE-OD1 3.38Å; K386-D388 IonicContact NZ-OD1 2.6Å; K386-D388 PolarHBondContact NZ-OD1 3.16Å; K386-V403 WeakPolarHBondContact O-CG1 3.48Å
387	I	97.9	Very high	94.8	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.319	C	S	.	.			trans	-115.8	130.7	174.6	-56.6	-177.9	0	0	0	106.9	D340 A341 F354 I375 F380 A389 F401	D340-I387 CarbonylContact C-O 3.57Å; D340-I387 VanDerWaalsContact CB-O 3.27Å; D340-I387 WeakPolarHBondContact CB-O 3.29Å; A341-I387 HydrophobicContact CB-CB 4.46Å; A341-I387 HydrophobicContact CB-CG2 4.12Å; F354-I387 HydrophobicContact CD1-CD1 3.5Å; F354-I387 HydrophobicContact CD1-CG1 4.25Å; F354-I387 HydrophobicContact CE1-CD1 3.52Å; F354-I387 HydrophobicContact CG-CD1 4.29Å; F354-I387 HydrophobicContact CZ-CD1 4.34Å; I375-I387 HydrophobicContact CG2-CD1 4.34Å; F380-I387 HydrophobicContact CD2-CD1 4.28Å; F380-I387 HydrophobicContact CE2-CD1 3.44Å; F380-I387 VanDerWaalsContact CE2-CD1 3.44Å; F380-I387 HydrophobicContact CE2-CG1 4.31Å; F380-I387 HydrophobicContact CZ-CD1 3.63Å; F380-I387 HydrophobicContact CZ-CG1 4.22Å; I387-A389 WeakPolarHBondContact CG2-O 3.26Å; I387-F401 HydrophobicContact CD1-CD1 3.81Å; I387-F401 HydrophobicContact CD1-CE1 4.18Å; I387-F401 HydrophobicContact CD1-CG 4.33Å; I387-F401 HydrophobicContact CG2-CB 4.17Å; I387-F401 HydrophobicContact CG2-CD1 4.01Å
388	D	97.9	Very high	94.8	Very high	14 Å²	14	58.7 Å²	58.7	8%	0.075	30%	0.299	C	S	.	.	S	Bend	trans	-88.3	-29.3	-174.6	-63.8	-38.4	0	0	0	112.6	D340 K386 F402 E404 V436 D437	D340-D388 CarbonylContact O-C 3.36Å; K386-D388 WeakPolarHBondContact CE-OD1 3.38Å; K386-D388 IonicContact NZ-OD1 2.6Å; K386-D388 PolarHBondContact NZ-OD1 3.16Å; D388-F402 PolarHBondContact N-O 3.49Å; D388-E404 PolarHBondContact OD2-N 3.45Å; D388-V436 WeakPolarHBondContact CB-O 3.49Å; D388-D437 CarbonylContact O-C 3.54Å
389	A	98.5	Very high	94.9	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	157.3	172	0	0	0	0	0	111.3	I387 F402 V436 V439	I387-A389 WeakPolarHBondContact CG2-O 3.26Å; A389-F402 HydrophobicContact CB-CB 4.17Å; A389-F402 HydrophobicContact CB-CD2 4.23Å; A389-F402 PolarHBondContact N-O 3.14Å; A389-F402 PolarHBondContact O-N 2.68Å; A389-V436 HydrophobicContact CB-CB 4.34Å; A389-V436 HydrophobicContact CB-CG1 3.69Å; A389-V439 HydrophobicContact CB-CG1 3.9Å
390	A	98.4	Very high	95.1	Very high	2 Å²	2	55.7 Å²	55.7	2%	0.017	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.8	178	0	0	0	0	0	111.5	A341 A342 Y343 Y400 F401	A341-A390 HydrophobicContact CB-CB 4.1Å; A342-A390 VanDerWaalsContact O-O 3.05Å; Y343-A390 HydrophobicContact CD1-CB 3.66Å; Y343-A390 HydrophobicContact CG-CB 4.16Å; A390-Y400 VanDerWaalsContact CA-O 3.29Å; A390-Y400 WeakPolarHBondContact CA-O 3.47Å; A390-F401 HydrophobicContact CB-CD1 3.69Å; A390-F401 HydrophobicContact CB-CE1 3.93Å
391	V	97.8	Very high	95.2	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.055	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	141	171.9	64.5	0	0	0	0	110.2	T399 Y400 F402 V439 Q441 F446	V391-T399 CarbonylContact O-C 3.41Å; V391-T399 WeakPolarHBondContact O-CA 3.38Å; V391-Y400 HydrophobicContact CG1-CD2 4.41Å; V391-Y400 PolarHBondContact N-O 3.38Å; V391-Y400 PolarHBondContact O-N 3.37Å; V391-F402 HydrophobicContact CG1-CE2 4.26Å; V391-V439 HydrophobicContact CB-CB 4.44Å; V391-V439 HydrophobicContact CB-CG1 3.65Å; V391-V439 HydrophobicContact CB-CG2 4.15Å; V391-V439 HydrophobicContact CG1-CB 4.39Å; V391-V439 HydrophobicContact CG1-CG1 3.68Å; V391-V439 HydrophobicContact CG1-CG2 3.82Å; V391-Q441 HydrophobicContact CG2-CB 3.75Å; V391-F446 HydrophobicContact CG1-CD1 4.09Å; V391-F446 HydrophobicContact CG1-CE1 3.79Å
392	S	96.3	Very high	95.3	Very high	15 Å²	15	53 Å²	53	11%	0.105	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.5	175	161.2	0	0	0	0	110.9	E344 K394 T399	E344-S392 VanDerWaalsContact O-CB 3.25Å; E344-S392 WeakPolarHBondContact O-CB 3.27Å; E344-S392 PolarHBondContact O-OG 3.03Å; S392-K394 PolarHBondContact O-N 3.17Å; S392-T399 WeakPolarHBondContact CB-OG1 3.44Å
393	D	92.7	Very high	95.5	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	106.4	170.8	-173.1	-41.9	0	0	0	109.9	E395 K396 K397 K398 Y400 Q441	D393-E395 VanDerWaalsContact C-N 3.27Å; D393-E395 PolarHBondContact O-N 3.29Å; D393-E395 PolarHBondContact OD1-N 3.43Å; D393-K396 HydrophobicContact CB-CB 4.22Å; D393-K396 PolarHBondContact O-N 3.42Å; D393-K396 PolarHBondContact OD1-N 2.73Å; D393-K396 WeakPolarHBondContact OD2-CD 3.2Å; D393-K396 IonicContact OD2-NZ 2.72Å; D393-K397 WeakPolarHBondContact O-CA 3.37Å; D393-K397 PolarHBondContact O-N 3.3Å; D393-K398 PolarHBondContact N-O 2.73Å; D393-K398 PolarHBondContact O-N 2.95Å; D393-Y400 HydrophobicContact CB-CE2 3.81Å; D393-Q441 VanDerWaalsContact CA-OE1 3.31Å; D393-Q441 PolarHBondContact OD2-NE2 3.46Å
394	K	87.2	Confident	95.5	Very high	121 Å²	121	49.3 Å²	49.3	53%	0.526	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-33.1	-176.4	-179.5	-176.3	174.1	-172.1	0	112.7	N346 S392 K397	N346-K394 HydrophobicContact CB-CD 4.39Å; S392-K394 PolarHBondContact O-N 3.17Å; K394-K397 WeakPolarHBondContact O-CD 3.32Å; K394-K397 VanDerWaalsContact O-CE 3.22Å; K394-K397 WeakPolarHBondContact O-CE 3.35Å; K394-K397 PolarHBondContact O-NZ 3.4Å
395	E	87.2	Confident	95.5	Very high	179 Å²	179	51.4 Å²	51.4	84%	0.836	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-45.5	-176.5	-63.1	-172.3	169.1	0	0	110.4	D393 K397	D393-E395 VanDerWaalsContact C-N 3.27Å; D393-E395 PolarHBondContact O-N 3.29Å; D393-E395 PolarHBondContact OD1-N 3.43Å; E395-K397 VanDerWaalsContact C-N 3.31Å; E395-K397 PolarHBondContact O-N 2.72Å
396	K	90.7	Very high	95.7	Very high	111 Å²	111	45.7 Å²	45.7	48%	0.483	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-14.3	-179.6	-60.6	178.6	-171.4	155	0	113.2	D393 K398	D393-K396 HydrophobicContact CB-CB 4.22Å; D393-K396 PolarHBondContact O-N 3.42Å; D393-K396 PolarHBondContact OD1-N 2.73Å; D393-K396 WeakPolarHBondContact OD2-CD 3.2Å; D393-K396 IonicContact OD2-NZ 2.72Å; K396-K398 HydrophobicContact CB-CB 4.37Å; K396-K398 HydrophobicContact CB-CG 3.87Å; K396-K398 WeakPolarHBondContact O-CE 3.33Å; K396-K398 WeakPolarHBondContact O-CG 3.27Å; K396-K398 PolarHBondContact O-N 3.01Å
397	K	92.8	Very high	95.8	Very high	67 Å²	67	41.9 Å²	41.9	29%	0.291	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	39.8	-172.2	-54.7	-60.2	-178.4	-159.7	0	112	D393 K394 E395 E412	D393-K397 WeakPolarHBondContact O-CA 3.37Å; D393-K397 PolarHBondContact O-N 3.3Å; K394-K397 WeakPolarHBondContact O-CD 3.32Å; K394-K397 VanDerWaalsContact O-CE 3.22Å; K394-K397 WeakPolarHBondContact O-CE 3.35Å; K394-K397 PolarHBondContact O-NZ 3.4Å; E395-K397 VanDerWaalsContact C-N 3.31Å; E395-K397 PolarHBondContact O-N 2.72Å; K397-E412 WeakPolarHBondContact O-CB 3.4Å; K397-E412 PolarHBondContact O-N 2.94Å; K397-E412 VanDerWaalsContact O-N 3.12Å
398	K	95.7	Very high	95.8	Very high	37 Å²	37	42.6 Å²	42.6	16%	0.161	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.9	-178.9	-54.7	-56.8	175.6	163.8	0	110.1	D393 K396 Y400 R409 F410 D411 E418	D393-K398 PolarHBondContact N-O 2.73Å; D393-K398 PolarHBondContact O-N 2.95Å; K396-K398 HydrophobicContact CB-CB 4.37Å; K396-K398 HydrophobicContact CB-CG 3.87Å; K396-K398 WeakPolarHBondContact O-CE 3.33Å; K396-K398 WeakPolarHBondContact O-CG 3.27Å; K396-K398 PolarHBondContact O-N 3.01Å; K398-Y400 HydrophobicContact CB-CE2 3.98Å; K398-R409 HydrophobicContact CB-CG 3.94Å; K398-R409 HydrophobicContact CG-CG 4.36Å; K398-F410 CarbonylContact C-O 3.59Å; K398-F410 WeakPolarHBondContact CA-O 3.35Å; K398-D411 HydrophobicContact CD-CB 4.32Å; K398-D411 IonicContact NZ-OD2 3.9Å; K398-D411 PolarHBondContact NZ-OD2 2.86Å; K398-E418 WeakPolarHBondContact CD-OE1 3.41Å; K398-E418 WeakPolarHBondContact CE-OE1 3.42Å; K398-E418 IonicContact NZ-OE1 3.79Å; K398-E418 PolarHBondContact NZ-OE1 2.63Å
399	T	97.9	Very high	95.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.7	171.4	-60.2	0	0	0	0	109.3	Y343 V391 S392 F401 R409 F410 E412	Y343-T399 HydrophobicContact CD1-CG2 4.24Å; Y343-T399 HydrophobicContact CD2-CG2 3.8Å; Y343-T399 HydrophobicContact CE1-CG2 3.98Å; Y343-T399 HydrophobicContact CE2-CG2 3.46Å; Y343-T399 VanDerWaalsContact CE2-CG2 3.46Å; Y343-T399 WeakPolarHBondContact CE2-OG1 3.4Å; Y343-T399 HydrophobicContact CG-CG2 4.16Å; V391-T399 CarbonylContact O-C 3.41Å; V391-T399 WeakPolarHBondContact O-CA 3.38Å; S392-T399 WeakPolarHBondContact CB-OG1 3.44Å; T399-F401 HydrophobicContact CG2-CD1 4.3Å; T399-F401 HydrophobicContact CG2-CD2 4.25Å; T399-F401 HydrophobicContact CG2-CE1 3.8Å; T399-F401 HydrophobicContact CG2-CE2 3.74Å; T399-F401 HydrophobicContact CG2-CZ 3.5Å; T399-F401 VanDerWaalsContact CG2-CZ 3.5Å; T399-R409 CarbonylContact O-C 3.53Å; T399-R409 WeakPolarHBondContact O-CA 3.29Å; T399-F410 PolarHBondContact N-O 3.17Å; T399-F410 PolarHBondContact O-N 3.11Å; T399-E412 WeakPolarHBondContact OG1-CG 3.33Å; T399-E412 PolarHBondContact OG1-OE1 3.22Å
400	Y	98.3	Very high	95.7	Very high	11 Å²	11	45.7 Å²	45.7	4%	0.043	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.8	178.2	-59.6	-104.1	0	0	0	107.6	A390 V391 D393 K398 Y407 W408 R409 F429	A390-Y400 VanDerWaalsContact CA-O 3.29Å; A390-Y400 WeakPolarHBondContact CA-O 3.47Å; V391-Y400 HydrophobicContact CG1-CD2 4.41Å; V391-Y400 PolarHBondContact N-O 3.38Å; V391-Y400 PolarHBondContact O-N 3.37Å; D393-Y400 HydrophobicContact CB-CE2 3.81Å; K398-Y400 HydrophobicContact CB-CE2 3.98Å; Y400-Y407 AromaticContact CD1-CD2 3.87Å; Y400-Y407 HydrophobicContact CD1-CD2 3.87Å; Y400-Y407 AromaticContact CD1-CE2 3.64Å; Y400-Y407 HydrophobicContact CD1-CE2 3.64Å; Y400-Y407 HydrophobicContact CE1-CE2 4.08Å; Y400-W408 WeakPolarHBondContact CA-O 3.39Å; Y400-R409 HydrophobicContact CD1-CG 4.44Å; Y400-R409 HydrophobicContact CE1-CG 4.23Å; Y400-F429 HydrophobicContact CD1-CZ 4.35Å; Y400-F429 HydrophobicContact CE1-CZ 4.5Å
401	F	98.6	Very high	95.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.6	177	-64.5	-71.1	0	0	0	109.3	Y343 F354 L378 F380 I387 A390 T399 Y407 W408 F410 M417	Y343-F401 HydrophobicContact CD1-CE1 4.08Å; Y343-F401 AromaticContact CE1-CE1 3.55Å; Y343-F401 HydrophobicContact CE1-CE1 3.55Å; Y343-F401 AromaticContact CE1-CZ 3.76Å; Y343-F401 HydrophobicContact CE1-CZ 3.76Å; Y343-F401 AromaticContact CZ-CZ 3.97Å; F354-F401 HydrophobicContact CE1-CE1 4.31Å; F354-F401 HydrophobicContact CE2-CE1 4.12Å; F354-F401 AromaticContact CZ-CE1 3.71Å; F354-F401 HydrophobicContact CZ-CE1 3.71Å; F354-F401 HydrophobicContact CZ-CZ 4.25Å; L378-F401 HydrophobicContact CD1-CZ 4.24Å; F380-F401 HydrophobicContact CE1-CB 4.24Å; F380-F401 HydrophobicContact CE2-CD2 4.12Å; F380-F401 HydrophobicContact CE2-CE2 4.4Å; F380-F401 HydrophobicContact CE2-CG 4.26Å; F380-F401 HydrophobicContact CZ-CB 3.58Å; F380-F401 HydrophobicContact CZ-CD1 4.34Å; F380-F401 AromaticContact CZ-CD2 3.68Å; F380-F401 HydrophobicContact CZ-CD2 3.68Å; F380-F401 HydrophobicContact CZ-CE2 4.4Å; F380-F401 AromaticContact CZ-CG 3.63Å; F380-F401 HydrophobicContact CZ-CG 3.63Å; I387-F401 HydrophobicContact CD1-CD1 3.81Å; I387-F401 HydrophobicContact CD1-CE1 4.18Å; I387-F401 HydrophobicContact CD1-CG 4.33Å; I387-F401 HydrophobicContact CG2-CB 4.17Å; I387-F401 HydrophobicContact CG2-CD1 4.01Å; A390-F401 HydrophobicContact CB-CD1 3.69Å; A390-F401 HydrophobicContact CB-CE1 3.93Å; T399-F401 HydrophobicContact CG2-CD1 4.3Å; T399-F401 HydrophobicContact CG2-CD2 4.25Å; T399-F401 HydrophobicContact CG2-CE1 3.8Å; T399-F401 HydrophobicContact CG2-CE2 3.74Å; T399-F401 HydrophobicContact CG2-CZ 3.5Å; T399-F401 VanDerWaalsContact CG2-CZ 3.5Å; F401-Y407 CarbonylContact O-C 3.54Å; F401-Y407 WeakPolarHBondContact O-CA 3.49Å; F401-Y407 WeakPolarHBondContact O-CB 3.2Å; F401-W408 HydrophobicContact CB-CB 4.42Å; F401-W408 PolarHBondContact N-O 3.34Å; F401-W408 PolarHBondContact O-N 3.2Å; F401-F410 HydrophobicContact CD2-CB 4.06Å; F401-F410 HydrophobicContact CE2-CB 3.58Å; F401-F410 HydrophobicContact CE2-CG 4.05Å; F401-M417 HydrophobicContact CD2-CE 3.86Å; F401-M417 HydrophobicContact CE2-CE 4.04Å
402	F	98.4	Very high	95.4	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.1	-177.7	-59.8	-94.5	0	0	0	109.1	D388 A389 V391 Y407 I425 F429 V436 V439 F448	D388-F402 PolarHBondContact N-O 3.49Å; A389-F402 HydrophobicContact CB-CB 4.17Å; A389-F402 HydrophobicContact CB-CD2 4.23Å; A389-F402 PolarHBondContact N-O 3.14Å; A389-F402 PolarHBondContact O-N 2.68Å; V391-F402 HydrophobicContact CG1-CE2 4.26Å; F402-Y407 HydrophobicContact CD1-CG 4.46Å; F402-Y407 HydrophobicContact CE1-CG 4.15Å; F402-I425 HydrophobicContact CD1-CD1 3.77Å; F402-I425 HydrophobicContact CD1-CG1 3.91Å; F402-I425 HydrophobicContact CE1-CG1 4.35Å; F402-F429 HydrophobicContact CE1-CD2 4.33Å; F402-F429 HydrophobicContact CE1-CE2 4.04Å; F402-F429 HydrophobicContact CZ-CE2 4.26Å; F402-F429 HydrophobicContact CZ-CZ 4.37Å; F402-V436 HydrophobicContact CB-CB 4.46Å; F402-V436 HydrophobicContact CD1-CG2 4.47Å; F402-V439 HydrophobicContact CD2-CG1 3.91Å; F402-V439 HydrophobicContact CE2-CG1 3.75Å; F402-F448 HydrophobicContact CD1-CE1 4.49Å; F402-F448 AromaticContact CE1-CE1 3.72Å; F402-F448 HydrophobicContact CE1-CE1 3.72Å; F402-F448 HydrophobicContact CE1-CZ 4.39Å; F402-F448 HydrophobicContact CE2-CE1 4.27Å; F402-F448 AromaticContact CZ-CE1 3.6Å; F402-F448 HydrophobicContact CZ-CE1 3.6Å; F402-F448 HydrophobicContact CZ-CZ 4.16Å
403	V	97.6	Very high	95.2	Very high	9 Å²	9	51.8 Å²	51.8	6%	0.055	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	119.7	176.4	-165.5	0	0	0	0	108.2	I384 K386 D405 K406 W408	I384-V403 HydrophobicContact CD1-CG1 4.12Å; I384-V403 HydrophobicContact CG2-CG1 4.22Å; I384-V403 HydrophobicContact CG2-CG2 4.15Å; K386-V403 WeakPolarHBondContact O-CG1 3.48Å; V403-D405 PolarHBondContact O-N 2.88Å; V403-K406 PolarHBondContact N-O 3.09Å; V403-K406 PolarHBondContact O-N 2.89Å; V403-K406 VanDerWaalsContact O-N 3.08Å; V403-K406 VanDerWaalsContact O-O 3.06Å; V403-W408 HydrophobicContact CB-CE3 4.28Å; V403-W408 HydrophobicContact CB-CH2 3.9Å; V403-W408 HydrophobicContact CB-CZ3 3.45Å; V403-W408 VanDerWaalsContact CB-CZ3 3.45Å; V403-W408 HydrophobicContact CG2-CE3 3.87Å; V403-W408 HydrophobicContact CG2-CH2 4.14Å; V403-W408 HydrophobicContact CG2-CZ3 3.52Å
404	E	95.1	Very high	95.3	Very high	139 Å²	139	54.9 Å²	54.9	65%	0.65	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	-129.6	-173	-59.6	177.8	173.8	0	0	110.4	D388 K406 I425 P434	D388-E404 PolarHBondContact OD2-N 3.45Å; E404-K406 VanDerWaalsContact C-N 3.26Å; E404-K406 PolarHBondContact O-N 2.81Å; E404-I425 WeakPolarHBondContact O-CD1 3.4Å; E404-P434 CarbonylContact C-O 3.51Å
405	D	96.7	Very high	95.6	Very high	68 Å²	68	55 Å²	55	36%	0.364	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	7.1	-178.3	68.9	-22.5	0	0	0	114.4	V403 I425 P434	V403-D405 PolarHBondContact O-N 2.88Å; D405-I425 PolarHBondContact O-N 2.92Å; D405-P434 HydrophobicContact CB-CB 4.39Å
406	K	97.4	Very high	96	Very high	84 Å²	84	49.1 Å²	49.1	37%	0.365	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	159.9	-171.1	-77	166.8	-163.5	169	0	112.2	V403 E404 W408 P422 R423 L424	V403-K406 PolarHBondContact N-O 3.09Å; V403-K406 PolarHBondContact O-N 2.89Å; V403-K406 VanDerWaalsContact O-N 3.08Å; V403-K406 VanDerWaalsContact O-O 3.06Å; E404-K406 VanDerWaalsContact C-N 3.26Å; E404-K406 PolarHBondContact O-N 2.81Å; K406-W408 HydrophobicContact CB-CH2 3.82Å; K406-W408 HydrophobicContact CB-CZ3 3.69Å; K406-P422 HydrophobicContact CB-CB 3.99Å; K406-P422 HydrophobicContact CD-CB 4.2Å; K406-P422 HydrophobicContact CD-CG 4.18Å; K406-P422 HydrophobicContact CG-CB 4.31Å; K406-R423 CarbonylContact C-O 3.58Å; K406-R423 VanDerWaalsContact CA-O 3.27Å; K406-R423 WeakPolarHBondContact CA-O 3.48Å; K406-L424 HydrophobicContact CG-CD2 4.06Å
407	Y	98.1	Very high	96.2	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.4	170.1	83.1	-76.4	0	0	0	112.4	Y400 F401 F402 F421 P422 R423 I425 D428 F429	Y400-Y407 AromaticContact CD1-CD2 3.87Å; Y400-Y407 HydrophobicContact CD1-CD2 3.87Å; Y400-Y407 AromaticContact CD1-CE2 3.64Å; Y400-Y407 HydrophobicContact CD1-CE2 3.64Å; Y400-Y407 HydrophobicContact CE1-CE2 4.08Å; F401-Y407 CarbonylContact O-C 3.54Å; F401-Y407 WeakPolarHBondContact O-CA 3.49Å; F401-Y407 WeakPolarHBondContact O-CB 3.2Å; F402-Y407 HydrophobicContact CD1-CG 4.46Å; F402-Y407 HydrophobicContact CE1-CG 4.15Å; Y407-F421 HydrophobicContact CD2-CD1 4.46Å; Y407-F421 HydrophobicContact CD2-CE1 4.08Å; Y407-F421 HydrophobicContact CE1-CE1 4.27Å; Y407-F421 HydrophobicContact CE2-CD1 4.18Å; Y407-F421 AromaticContact CE2-CE1 3.4Å; Y407-F421 HydrophobicContact CE2-CE1 3.4Å; Y407-F421 HydrophobicContact CE2-CZ 4.21Å; Y407-F421 AromaticContact CZ-CE1 3.52Å; Y407-F421 WeakPolarHBondContact O-CD1 3.03Å; Y407-P422 CarbonylContact O-C 3.41Å; Y407-P422 WeakPolarHBondContact O-CA 3.34Å; Y407-P422 WeakPolarHBondContact O-CB 3.38Å; Y407-R423 HydrophobicContact CD1-CB 4.32Å; Y407-R423 WeakPolarHBondContact CD1-O 3.43Å; Y407-R423 HydrophobicContact CE1-CB 3.75Å; Y407-R423 PolarHBondContact N-O 3.28Å; Y407-R423 PolarHBondContact O-N 2.86Å; Y407-I425 HydrophobicContact CD1-CG1 4.35Å; Y407-D428 HydrophobicContact CE1-CB 3.88Å; Y407-D428 WeakPolarHBondContact CE1-OD2 3.32Å; Y407-D428 WeakPolarHBondContact OH-CB 3.49Å; Y407-D428 PolarHBondContact OH-OD2 2.97Å; Y407-F429 HydrophobicContact CD1-CD2 4.48Å; Y407-F429 HydrophobicContact CD1-CE2 4.1Å; Y407-F429 HydrophobicContact CD2-CE2 4.22Å; Y407-F429 HydrophobicContact CE1-CD2 4.29Å; Y407-F429 AromaticContact CE1-CE2 3.84Å; Y407-F429 HydrophobicContact CE1-CE2 3.84Å; Y407-F429 AromaticContact CE2-CE2 3.94Å; Y407-F429 HydrophobicContact CE2-CE2 3.94Å; Y407-F429 HydrophobicContact CE2-CZ 4.49Å; Y407-F429 HydrophobicContact CG-CE2 4.27Å; Y407-F429 AromaticContact CZ-CE2 3.73Å
408	W	98.3	Very high	96.4	Very high	17 Å²	17	44.3 Å²	44.3	6%	0.064	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	150.6	176	-68.3	-111	0	0	0	108.6	F380 I384 Y400 F401 V403 K406 M417 P422	F380-W408 HydrophobicContact CD1-CD2 4.32Å; F380-W408 HydrophobicContact CD1-CG 4.32Å; F380-W408 HydrophobicContact CE1-CB 4.12Å; F380-W408 AromaticContact CE1-CD2 3.8Å; F380-W408 HydrophobicContact CE1-CD2 3.8Å; F380-W408 HydrophobicContact CE1-CE3 4.22Å; F380-W408 AromaticContact CE1-CG 3.74Å; F380-W408 HydrophobicContact CE1-CG 3.74Å; I384-W408 HydrophobicContact CD1-CH2 3.86Å; I384-W408 HydrophobicContact CD1-CZ2 3.89Å; I384-W408 HydrophobicContact CG1-CZ2 4.16Å; Y400-W408 WeakPolarHBondContact CA-O 3.39Å; F401-W408 HydrophobicContact CB-CB 4.42Å; F401-W408 PolarHBondContact N-O 3.34Å; F401-W408 PolarHBondContact O-N 3.2Å; V403-W408 HydrophobicContact CB-CE3 4.28Å; V403-W408 HydrophobicContact CB-CH2 3.9Å; V403-W408 HydrophobicContact CB-CZ3 3.45Å; V403-W408 VanDerWaalsContact CB-CZ3 3.45Å; V403-W408 HydrophobicContact CG2-CE3 3.87Å; V403-W408 HydrophobicContact CG2-CH2 4.14Å; V403-W408 HydrophobicContact CG2-CZ3 3.52Å; K406-W408 HydrophobicContact CB-CH2 3.82Å; K406-W408 HydrophobicContact CB-CZ3 3.69Å; W408-M417 HydrophobicContact CB-CE 4.44Å; W408-M417 HydrophobicContact CB-SD 3.92Å; W408-M417 HydrophobicContact CG-SD 4.5Å; W408-P422 HydrophobicContact CD2-CB 3.8Å; W408-P422 VanDerWaalsContact CE2-CB 3.49Å; W408-P422 HydrophobicContact CE3-CB 4.17Å; W408-P422 HydrophobicContact CG-CB 4.35Å; W408-P422 HydrophobicContact CH2-CB 3.89Å; W408-P422 HydrophobicContact CH2-CG 4.24Å; W408-P422 HydrophobicContact CZ2-CB 3.57Å; W408-P422 HydrophobicContact CZ2-CG 3.61Å; W408-P422 HydrophobicContact CZ3-CB 4.16Å
409	R	98	Very high	96.4	Very high	73 Å²	73	51.6 Å²	51.6	28%	0.275	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.4	172.6	-165.5	163.6	66.8	-165.5	-1.2	109.5	K398 T399 Y400 E418 F421	K398-R409 HydrophobicContact CB-CG 3.94Å; K398-R409 HydrophobicContact CG-CG 4.36Å; T399-R409 CarbonylContact O-C 3.53Å; T399-R409 WeakPolarHBondContact O-CA 3.29Å; Y400-R409 HydrophobicContact CD1-CG 4.44Å; Y400-R409 HydrophobicContact CE1-CG 4.23Å; R409-E418 IonicContact CZ-OE2 3.24Å; R409-E418 VanDerWaalsContact NE-CD 3.34Å; R409-E418 IonicContact NE-OE1 3.09Å; R409-E418 IonicContact NE-OE2 2.89Å; R409-E418 PolarHBondContact NE-OE2 3.21Å; R409-E418 IonicContact NH2-OE2 2.63Å; R409-E418 PolarHBondContact NH2-OE2 2.83Å; R409-E418 WeakPolarHBondContact O-CB 3.39Å; R409-E418 PolarHBondContact O-N 2.61Å; R409-F421 HydrophobicContact CB-CD1 4.11Å; R409-F421 HydrophobicContact CB-CD2 3.84Å; R409-F421 HydrophobicContact CB-CE1 3.83Å; R409-F421 HydrophobicContact CB-CE2 3.52Å; R409-F421 HydrophobicContact CB-CG 4.12Å; R409-F421 HydrophobicContact CB-CZ 3.51Å; R409-F421 HydrophobicContact CG-CE2 4.48Å; R409-F421 HydrophobicContact CG-CZ 4.42Å
410	F	97.6	Very high	96.2	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.8	179	-176.6	-94.5	0	0	0	109.3	L378 K398 T399 F401 E412 Q415 S416 M417	L378-F410 HydrophobicContact CB-CE2 4.41Å; L378-F410 HydrophobicContact CD2-CE2 4.45Å; L378-F410 HydrophobicContact CD2-CZ 4.36Å; K398-F410 CarbonylContact C-O 3.59Å; K398-F410 WeakPolarHBondContact CA-O 3.35Å; T399-F410 PolarHBondContact N-O 3.17Å; T399-F410 PolarHBondContact O-N 3.11Å; F401-F410 HydrophobicContact CD2-CB 4.06Å; F401-F410 HydrophobicContact CE2-CB 3.58Å; F401-F410 HydrophobicContact CE2-CG 4.05Å; F410-E412 HydrophobicContact CD1-CG 4.45Å; F410-Q415 VanDerWaalsContact CE2-C 3.46Å; F410-Q415 VanDerWaalsContact CZ-CA 3.44Å; F410-Q415 HydrophobicContact CZ-CB 4.06Å; F410-Q415 WeakPolarHBondContact CZ-O 3.38Å; F410-S416 VanDerWaalsContact CD2-C 3.49Å; F410-M417 HydrophobicContact CB-CE 4.38Å; F410-M417 HydrophobicContact CB-SD 3.97Å; F410-M417 HydrophobicContact CD2-CE 4.02Å; F410-M417 HydrophobicContact CD2-CG 4.24Å; F410-M417 HydrophobicContact CD2-SD 3.96Å; F410-M417 HydrophobicContact CG-SD 4.49Å
411	D	95.9	Very high	96.1	Very high	26 Å²	26	55.7 Å²	55.7	14%	0.139	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	113.8	177	179.1	-54.1	0	0	0	109.2	K398 N413 S414 Q415 S416 E418	K398-D411 HydrophobicContact CD-CB 4.32Å; K398-D411 IonicContact NZ-OD2 3.9Å; K398-D411 PolarHBondContact NZ-OD2 2.86Å; D411-N413 VanDerWaalsContact C-N 3.25Å; D411-N413 PolarHBondContact O-N 2.96Å; D411-N413 WeakPolarHBondContact OD1-CA 3.26Å; D411-N413 VanDerWaalsContact OD1-CB 3.32Å; D411-N413 WeakPolarHBondContact OD1-CB 3.32Å; D411-N413 PolarHBondContact OD1-N 3.23Å; D411-S414 WeakPolarHBondContact CB-OG 3.3Å; D411-S414 VanDerWaalsContact CG-OG 3.3Å; D411-S414 PolarHBondContact OD1-N 3.27Å; D411-S414 PolarHBondContact OD1-OG 2.98Å; D411-Q415 VanDerWaalsContact O-CA 3.24Å; D411-Q415 WeakPolarHBondContact O-CA 3.37Å; D411-Q415 PolarHBondContact O-N 3.44Å; D411-S416 PolarHBondContact N-O 3.35Å; D411-S416 PolarHBondContact O-N 2.87Å; D411-E418 HydrophobicContact CB-CG 4.18Å
412	E	93.7	Very high	96	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.028	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-19	-176.6	-73.9	-68.1	168.5	0	0	113.3	Y343 R348 K397 T399 F410	Y343-E412 PolarHBondContact OH-OE1 2.99Å; R348-E412 IonicContact CZ-OE2 2.82Å; R348-E412 IonicContact NH1-OE2 3.51Å; R348-E412 PolarHBondContact NH1-OE2 3.18Å; R348-E412 PolarHBondContact NH2-O 3.5Å; R348-E412 IonicContact NH2-OE2 2.72Å; K397-E412 WeakPolarHBondContact O-CB 3.4Å; K397-E412 PolarHBondContact O-N 2.94Å; K397-E412 VanDerWaalsContact O-N 3.12Å; T399-E412 WeakPolarHBondContact OG1-CG 3.33Å; T399-E412 PolarHBondContact OG1-OE1 3.22Å; F410-E412 HydrophobicContact CD1-CG 4.45Å
413	N	91.7	Very high	96	Very high	123 Å²	123	63.3 Å²	63.3	66%	0.658	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-49.6	178.9	-62.7	-39.6	0	0	0	111.3	D411 Q415	D411-N413 VanDerWaalsContact C-N 3.25Å; D411-N413 PolarHBondContact O-N 2.96Å; D411-N413 WeakPolarHBondContact OD1-CA 3.26Å; D411-N413 VanDerWaalsContact OD1-CB 3.32Å; D411-N413 WeakPolarHBondContact OD1-CB 3.32Å; D411-N413 PolarHBondContact OD1-N 3.23Å; N413-Q415 VanDerWaalsContact C-N 3.29Å
414	S	94.3	Very high	96	Very high	68 Å²	68	66.1 Å²	66.1	48%	0.476	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-13.5	176.9	66.7	0	0	0	0	113.1	D411 S416	D411-S414 WeakPolarHBondContact CB-OG 3.3Å; D411-S414 VanDerWaalsContact CG-OG 3.3Å; D411-S414 PolarHBondContact OD1-N 3.27Å; D411-S414 PolarHBondContact OD1-OG 2.98Å; S414-S416 VanDerWaalsContact C-N 3.31Å; S414-S416 PolarHBondContact O-N 3.28Å; S414-S416 PolarHBondContact OG-OG 2.84Å
415	Q	93.3	Very high	96.1	Very high	124 Å²	124	59.6 Å²	59.6	58%	0.579	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	45.4	-172.9	-57	-165.1	-68	0	0	112.6	R348 F410 D411 N413	R348-Q415 VanDerWaalsContact CZ-NE2 3.35Å; R348-Q415 VanDerWaalsContact NH2-NE2 3.18Å; F410-Q415 VanDerWaalsContact CE2-C 3.46Å; F410-Q415 VanDerWaalsContact CZ-CA 3.44Å; F410-Q415 HydrophobicContact CZ-CB 4.06Å; F410-Q415 WeakPolarHBondContact CZ-O 3.38Å; D411-Q415 VanDerWaalsContact O-CA 3.24Å; D411-Q415 WeakPolarHBondContact O-CA 3.37Å; D411-Q415 PolarHBondContact O-N 3.44Å; N413-Q415 VanDerWaalsContact C-N 3.29Å
416	S	95.8	Very high	96	Very high	55 Å²	55	59.4 Å²	59.4	39%	0.385	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153.5	-177.6	69.4	0	0	0	0	112.8	F410 D411 S414	F410-S416 VanDerWaalsContact CD2-C 3.49Å; D411-S416 PolarHBondContact N-O 3.35Å; D411-S416 PolarHBondContact O-N 2.87Å; S414-S416 VanDerWaalsContact C-N 3.31Å; S414-S416 PolarHBondContact O-N 3.28Å; S414-S416 PolarHBondContact OG-OG 2.84Å
417	M	96.3	Very high	96	Very high	38 Å²	38	59.8 Å²	59.8	19%	0.187	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.1	171.8	-71.6	-66	175.5	0	0	110.4	L378 F380 F401 W408 F410	L378-M417 HydrophobicContact CB-CE 4.3Å; L378-M417 WeakPolarHBondContact O-CE 3.38Å; L378-M417 WeakPolarHBondContact O-CG 3.37Å; F380-M417 HydrophobicContact CD1-CE 4.15Å; F380-M417 HydrophobicContact CD2-CE 3.68Å; F380-M417 HydrophobicContact CE1-CE 3.79Å; F380-M417 HydrophobicContact CE2-CE 3.27Å; F380-M417 HydrophobicContact CG-CE 4.11Å; F380-M417 HydrophobicContact CZ-CE 3.33Å; F401-M417 HydrophobicContact CD2-CE 3.86Å; F401-M417 HydrophobicContact CE2-CE 4.04Å; W408-M417 HydrophobicContact CB-CE 4.44Å; W408-M417 HydrophobicContact CB-SD 3.92Å; W408-M417 HydrophobicContact CG-SD 4.5Å; F410-M417 HydrophobicContact CB-CE 4.38Å; F410-M417 HydrophobicContact CB-SD 3.97Å; F410-M417 HydrophobicContact CD2-CE 4.02Å; F410-M417 HydrophobicContact CD2-CG 4.24Å; F410-M417 HydrophobicContact CD2-SD 3.96Å; F410-M417 HydrophobicContact CG-SD 4.49Å
418	E	96.1	Very high	95.8	Very high	38 Å²	38	60.6 Å²	60.6	18%	0.178	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-72.6	147.2	177.2	-73.7	-167.6	-173.6	0	0	112.6	K398 R409 D411 F421	K398-E418 WeakPolarHBondContact CD-OE1 3.41Å; K398-E418 WeakPolarHBondContact CE-OE1 3.42Å; K398-E418 IonicContact NZ-OE1 3.79Å; K398-E418 PolarHBondContact NZ-OE1 2.63Å; R409-E418 IonicContact CZ-OE2 3.24Å; R409-E418 VanDerWaalsContact NE-CD 3.34Å; R409-E418 IonicContact NE-OE1 3.09Å; R409-E418 IonicContact NE-OE2 2.89Å; R409-E418 PolarHBondContact NE-OE2 3.21Å; R409-E418 IonicContact NH2-OE2 2.63Å; R409-E418 PolarHBondContact NH2-OE2 2.83Å; R409-E418 WeakPolarHBondContact O-CB 3.39Å; R409-E418 PolarHBondContact O-N 2.61Å; D411-E418 HydrophobicContact CB-CG 4.18Å; E418-F421 HydrophobicContact CB-CD2 3.82Å; E418-F421 HydrophobicContact CB-CE2 4.09Å
419	Q	94.8	Very high	95.7	Very high	190 Å²	190	60.4 Å²	60.4	89%	0.888	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	145.9	172.6	-64.5	-174.8	-8.5	0	0	111
420	G	94	Very high	95.6	Very high	65 Å²	65	59.3 Å²	59.3	67%	0.67	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	7.3	-178.1	0	0	0	0	0	114.8	R423	G420-R423 VanDerWaalsContact O-CG 3.27Å; G420-R423 WeakPolarHBondContact O-CG 3.02Å
421	F	96.3	Very high	95.3	Very high	33 Å²	33	61.7 Å²	61.7	15%	0.145	36%	0.361	C	S	.	.			trans	-111.5	152.2	173.4	-72.1	-83.7	0	0	0	111.9	Y407 R409 E418 R423	Y407-F421 HydrophobicContact CD2-CD1 4.46Å; Y407-F421 HydrophobicContact CD2-CE1 4.08Å; Y407-F421 HydrophobicContact CE1-CE1 4.27Å; Y407-F421 HydrophobicContact CE2-CD1 4.18Å; Y407-F421 AromaticContact CE2-CE1 3.4Å; Y407-F421 HydrophobicContact CE2-CE1 3.4Å; Y407-F421 HydrophobicContact CE2-CZ 4.21Å; Y407-F421 AromaticContact CZ-CE1 3.52Å; Y407-F421 WeakPolarHBondContact O-CD1 3.03Å; R409-F421 HydrophobicContact CB-CD1 4.11Å; R409-F421 HydrophobicContact CB-CD2 3.84Å; R409-F421 HydrophobicContact CB-CE1 3.83Å; R409-F421 HydrophobicContact CB-CE2 3.52Å; R409-F421 HydrophobicContact CB-CG 4.12Å; R409-F421 HydrophobicContact CB-CZ 3.51Å; R409-F421 HydrophobicContact CG-CE2 4.48Å; R409-F421 HydrophobicContact CG-CZ 4.42Å; E418-F421 HydrophobicContact CB-CD2 3.82Å; E418-F421 HydrophobicContact CB-CE2 4.09Å; F421-R423 HydrophobicContact CD1-CB 4.27Å; F421-R423 HydrophobicContact CD1-CG 3.88Å; F421-R423 HydrophobicContact CE1-CB 4.24Å; F421-R423 HydrophobicContact CE1-CG 3.89Å
422	P	97.1	Very high	95.3	Very high	59 Å²	59	61 Å²	61	38%	0.383	36%	0.357	S	S	.	.			cis	-73.8	156.8	4.9	27	-32.3	0	0	0	114.8	K406 Y407 W408	K406-P422 HydrophobicContact CB-CB 3.99Å; K406-P422 HydrophobicContact CD-CB 4.2Å; K406-P422 HydrophobicContact CD-CG 4.18Å; K406-P422 HydrophobicContact CG-CB 4.31Å; Y407-P422 CarbonylContact O-C 3.41Å; Y407-P422 WeakPolarHBondContact O-CA 3.34Å; Y407-P422 WeakPolarHBondContact O-CB 3.38Å; W408-P422 HydrophobicContact CD2-CB 3.8Å; W408-P422 VanDerWaalsContact CE2-CB 3.49Å; W408-P422 HydrophobicContact CE3-CB 4.17Å; W408-P422 HydrophobicContact CG-CB 4.35Å; W408-P422 HydrophobicContact CH2-CB 3.89Å; W408-P422 HydrophobicContact CH2-CG 4.24Å; W408-P422 HydrophobicContact CZ2-CB 3.57Å; W408-P422 HydrophobicContact CZ2-CG 3.61Å; W408-P422 HydrophobicContact CZ3-CB 4.16Å
423	R	97.4	Very high	95.2	Very high	101 Å²	101	65.1 Å²	65.1	38%	0.381	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	158.3	169.7	-62.2	-177.1	75.3	-148.2	-10.5	110	K406 Y407 G420 F421 D428	K406-R423 CarbonylContact C-O 3.58Å; K406-R423 VanDerWaalsContact CA-O 3.27Å; K406-R423 WeakPolarHBondContact CA-O 3.48Å; Y407-R423 HydrophobicContact CD1-CB 4.32Å; Y407-R423 WeakPolarHBondContact CD1-O 3.43Å; Y407-R423 HydrophobicContact CE1-CB 3.75Å; Y407-R423 PolarHBondContact N-O 3.28Å; Y407-R423 PolarHBondContact O-N 2.86Å; G420-R423 VanDerWaalsContact O-CG 3.27Å; G420-R423 WeakPolarHBondContact O-CG 3.02Å; F421-R423 HydrophobicContact CD1-CB 4.27Å; F421-R423 HydrophobicContact CD1-CG 3.88Å; F421-R423 HydrophobicContact CE1-CB 4.24Å; F421-R423 HydrophobicContact CE1-CG 3.89Å; R423-D428 VanDerWaalsContact CZ-CG 3.42Å; R423-D428 IonicContact CZ-OD1 2.78Å; R423-D428 IonicContact CZ-OD2 2.78Å; R423-D428 IonicContact NE-OD2 2.65Å; R423-D428 PolarHBondContact NE-OD2 3.13Å; R423-D428 IonicContact NH1-OD1 2.84Å; R423-D428 PolarHBondContact NH1-OD1 2.89Å; R423-D428 IonicContact NH1-OD2 3.65Å; R423-D428 PolarHBondContact NH1-OD2 2.83Å; R423-D428 IonicContact NH2-OD1 3.79Å; R423-D428 PolarHBondContact NH2-OD1 2.86Å; R423-D428 IonicContact NH2-OD2 3.6Å; R423-D428 PolarHBondContact NH2-OD2 3.3Å
424	L	97.6	Very high	95.1	Very high	69 Å²	69	63 Å²	63	36%	0.361	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	137.3	176.9	-68.4	172.8	0	0	0	110.1	K406 A426 D427	K406-L424 HydrophobicContact CG-CD2 4.06Å; L424-A426 VanDerWaalsContact C-N 3.27Å; L424-A426 PolarHBondContact O-N 3.21Å; L424-D427 HydrophobicContact CB-CB 4.38Å; L424-D427 PolarHBondContact O-N 2.99Å
425	I	97.5	Very high	94.9	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-60.3	-42.7	176.8	-66.1	167.4	0	0	0	109.9	F402 E404 D405 Y407 D427 D428 F429 V432 P434 V436	F402-I425 HydrophobicContact CD1-CD1 3.77Å; F402-I425 HydrophobicContact CD1-CG1 3.91Å; F402-I425 HydrophobicContact CE1-CG1 4.35Å; E404-I425 WeakPolarHBondContact O-CD1 3.4Å; D405-I425 PolarHBondContact O-N 2.92Å; Y407-I425 HydrophobicContact CD1-CG1 4.35Å; I425-D427 VanDerWaalsContact C-N 3.25Å; I425-D427 PolarHBondContact O-N 3.24Å; I425-D428 PolarHBondContact O-N 2.83Å; I425-F429 HydrophobicContact CG2-CB 4.17Å; I425-F429 HydrophobicContact CG2-CD2 4.38Å; I425-F429 CarbonylContact O-C 3.45Å; I425-F429 WeakPolarHBondContact O-CA 3.08Å; I425-F429 WeakPolarHBondContact O-CB 3.38Å; I425-F429 PolarHBondContact O-N 3.49Å; I425-V432 HydrophobicContact CG2-CB 4.37Å; I425-V432 HydrophobicContact CG2-CG1 4.27Å; I425-P434 WeakPolarHBondContact CD1-O 3.43Å; I425-V436 HydrophobicContact CD1-CG2 4.32Å
426	A	95.7	Very high	95.1	Very high	65 Å²	65	59.4 Å²	59.4	54%	0.537	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-28.5	-178.1	0	0	0	0	0	114.4	L424	L424-A426 VanDerWaalsContact C-N 3.27Å; L424-A426 PolarHBondContact O-N 3.21Å
427	D	95.9	Very high	95.2	Very high	92 Å²	92	58.6 Å²	58.6	49%	0.492	34%	0.335	S	S	.	.	H	α-helix	trans	-75.7	-37.6	-178.4	-70.2	-15	0	0	0	112	L424 I425 R462	L424-D427 HydrophobicContact CB-CB 4.38Å; L424-D427 PolarHBondContact O-N 2.99Å; I425-D427 VanDerWaalsContact C-N 3.25Å; I425-D427 PolarHBondContact O-N 3.24Å; D427-R462 PolarHBondContact O-NH2 2.81Å
428	D	95.1	Very high	95.2	Very high	23 Å²	23	56.8 Å²	56.8	12%	0.123	33%	0.326	C	S	.	.	H	α-helix	trans	-103.3	-27.5	-172.9	-67.7	-48.9	0	0	0	112.9	Y407 R423 I425 P430 R462	Y407-D428 HydrophobicContact CE1-CB 3.88Å; Y407-D428 WeakPolarHBondContact CE1-OD2 3.32Å; Y407-D428 WeakPolarHBondContact OH-CB 3.49Å; Y407-D428 PolarHBondContact OH-OD2 2.97Å; R423-D428 VanDerWaalsContact CZ-CG 3.42Å; R423-D428 IonicContact CZ-OD1 2.78Å; R423-D428 IonicContact CZ-OD2 2.78Å; R423-D428 IonicContact NE-OD2 2.65Å; R423-D428 PolarHBondContact NE-OD2 3.13Å; R423-D428 IonicContact NH1-OD1 2.84Å; R423-D428 PolarHBondContact NH1-OD1 2.89Å; R423-D428 IonicContact NH1-OD2 3.65Å; R423-D428 PolarHBondContact NH1-OD2 2.83Å; R423-D428 IonicContact NH2-OD1 3.79Å; R423-D428 PolarHBondContact NH2-OD1 2.86Å; R423-D428 IonicContact NH2-OD2 3.6Å; R423-D428 PolarHBondContact NH2-OD2 3.3Å; I425-D428 PolarHBondContact O-N 2.83Å; D428-P430 VanDerWaalsContact C-CD 3.42Å; D428-P430 WeakPolarHBondContact O-CD 3.41Å; D428-R462 IonicContact OD1-NH2 3.55Å
429	F	96.2	Very high	95.3	Very high	13 Å²	13	55.1 Å²	55.1	6%	0.057	32%	0.318	C	S	.	.	S	Bend	trans	-123.2	63.1	177.8	-54.6	-83.9	0	0	0	111.3	Y400 F402 Y407 I425 G431 V432 F448 F457	Y400-F429 HydrophobicContact CD1-CZ 4.35Å; Y400-F429 HydrophobicContact CE1-CZ 4.5Å; F402-F429 HydrophobicContact CE1-CD2 4.33Å; F402-F429 HydrophobicContact CE1-CE2 4.04Å; F402-F429 HydrophobicContact CZ-CE2 4.26Å; F402-F429 HydrophobicContact CZ-CZ 4.37Å; Y407-F429 HydrophobicContact CD1-CD2 4.48Å; Y407-F429 HydrophobicContact CD1-CE2 4.1Å; Y407-F429 HydrophobicContact CD2-CE2 4.22Å; Y407-F429 HydrophobicContact CE1-CD2 4.29Å; Y407-F429 AromaticContact CE1-CE2 3.84Å; Y407-F429 HydrophobicContact CE1-CE2 3.84Å; Y407-F429 AromaticContact CE2-CE2 3.94Å; Y407-F429 HydrophobicContact CE2-CE2 3.94Å; Y407-F429 HydrophobicContact CE2-CZ 4.49Å; Y407-F429 HydrophobicContact CG-CE2 4.27Å; Y407-F429 AromaticContact CZ-CE2 3.73Å; I425-F429 HydrophobicContact CG2-CB 4.17Å; I425-F429 HydrophobicContact CG2-CD2 4.38Å; I425-F429 CarbonylContact O-C 3.45Å; I425-F429 WeakPolarHBondContact O-CA 3.08Å; I425-F429 WeakPolarHBondContact O-CB 3.38Å; I425-F429 PolarHBondContact O-N 3.49Å; F429-G431 PolarHBondContact O-N 2.98Å; F429-V432 HydrophobicContact CB-CB 4.22Å; F429-V432 HydrophobicContact CB-CG2 3.9Å; F429-V432 WeakPolarHBondContact O-CB 3.31Å; F429-V432 PolarHBondContact O-N 3.25Å; F429-F448 HydrophobicContact CB-CZ 4.46Å; F429-F448 AromaticContact CD1-CE2 3.84Å; F429-F448 HydrophobicContact CD1-CE2 3.84Å; F429-F448 AromaticContact CD1-CZ 3.53Å; F429-F448 HydrophobicContact CD1-CZ 3.53Å; F429-F448 HydrophobicContact CE1-CE2 4.36Å; F429-F448 AromaticContact CE1-CZ 3.79Å; F429-F448 HydrophobicContact CE1-CZ 3.79Å; F429-F448 HydrophobicContact CG-CE2 4.4Å; F429-F448 AromaticContact CG-CZ 3.94Å; F429-F448 HydrophobicContact CG-CZ 3.94Å; F429-F448 HydrophobicContact CZ-CZ 4.4Å; F429-F457 HydrophobicContact CB-CE2 4.24Å; F429-F457 HydrophobicContact CB-CZ 4.28Å; F429-F457 AromaticContact CD1-CD1 3.88Å; F429-F457 HydrophobicContact CD1-CD1 3.88Å; F429-F457 AromaticContact CD1-CE1 3.55Å; F429-F457 HydrophobicContact CD1-CE1 3.55Å; F429-F457 HydrophobicContact CD1-CE2 4.49Å; F429-F457 HydrophobicContact CD1-CG 4.46Å; F429-F457 AromaticContact CD1-CZ 3.9Å; F429-F457 HydrophobicContact CD1-CZ 3.9Å; F429-F457 HydrophobicContact CE1-CD1 4.48Å; F429-F457 HydrophobicContact CE1-CE1 4.16Å; F429-F457 HydrophobicContact CG-CZ 4.5Å
430	P	95.5	Very high	95.3	Very high	50 Å²	50	46.2 Å²	46.2	33%	0.325	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	135.3	-176.3	28.1	-37.5	0	0	0	111.6	D428 F457 R462	D428-P430 VanDerWaalsContact C-CD 3.42Å; D428-P430 WeakPolarHBondContact O-CD 3.41Å; P430-F457 HydrophobicContact CG-CE2 4.44Å; P430-R462 WeakPolarHBondContact CG-O 3.47Å
431	G	91.7	Very high	95.3	Very high	56 Å²	56	45.6 Å²	45.6	58%	0.577	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	-8.1	-177.3	0	0	0	0	0	114.8	F429 V464	F429-G431 PolarHBondContact O-N 2.98Å; G431-V464 VanDerWaalsContact C-CG2 3.5Å; G431-V464 WeakPolarHBondContact O-CG2 3.19Å
432	V	94.6	Very high	94.8	Very high	11 Å²	11	44.4 Å²	44.4	7%	0.067	25%	0.253	C	S	.	.	S	Bend	trans	-80.8	141.2	169.5	-179.7	0	0	0	0	109.4	I425 F429 V436 F448 F457 V464	I425-V432 HydrophobicContact CG2-CB 4.37Å; I425-V432 HydrophobicContact CG2-CG1 4.27Å; F429-V432 HydrophobicContact CB-CB 4.22Å; F429-V432 HydrophobicContact CB-CG2 3.9Å; F429-V432 WeakPolarHBondContact O-CB 3.31Å; F429-V432 PolarHBondContact O-N 3.25Å; V432-V436 HydrophobicContact CG1-CG2 4.04Å; V432-F448 HydrophobicContact CB-CD2 4.46Å; V432-F448 HydrophobicContact CB-CG 4.49Å; V432-F448 HydrophobicContact CG1-CB 3.74Å; V432-F448 HydrophobicContact CG1-CD1 3.84Å; V432-F448 HydrophobicContact CG1-CD2 4.03Å; V432-F448 HydrophobicContact CG1-CE1 4.44Å; V432-F448 HydrophobicContact CG1-CG 3.6Å; V432-F448 HydrophobicContact CG2-CB 4.48Å; V432-F448 HydrophobicContact CG2-CD2 3.51Å; V432-F448 HydrophobicContact CG2-CE2 3.82Å; V432-F448 HydrophobicContact CG2-CG 3.99Å; V432-F457 HydrophobicContact CG2-CB 4.48Å; V432-F457 HydrophobicContact CG2-CD2 4.1Å; V432-V464 HydrophobicContact CG2-CG2 4.01Å
433	E	91.7	Very high	94.2	Very high	94 Å²	94	48.3 Å²	48.3	44%	0.439	26%	0.264	S	S	.	.			trans	-59.6	144.4	175.8	-71	-66.7	166.2	0	0	111.4	K435 F455	E433-K435 PolarHBondContact O-N 3.18Å; E433-F455 HydrophobicContact CG-CE1 4.13Å; E433-F455 HydrophobicContact CG-CE2 3.85Å; E433-F455 HydrophobicContact CG-CZ 3.45Å; E433-F455 VanDerWaalsContact CG-CZ 3.45Å
434	P	89.3	Confident	93.5	Very high	77 Å²	77	45.9 Å²	45.9	50%	0.5	27%	0.27	S	S	.	.	S	Bend	trans	-58.7	-34.1	-179.2	-25	33.9	0	0	0	113	E404 D405 I425	E404-P434 CarbonylContact C-O 3.51Å; D405-P434 HydrophobicContact CB-CB 4.39Å; I425-P434 WeakPolarHBondContact CD1-O 3.43Å
435	K	91.8	Very high	93.1	Very high	116 Å²	116	45.2 Å²	45.2	50%	0.504	26%	0.264	S	S	.	.	S	Bend	trans	-103.6	118.2	177.9	-174.6	-175.2	171.9	-160.4	0	110.2	E433 D437 S450	E433-K435 PolarHBondContact O-N 3.18Å; K435-D437 WeakPolarHBondContact CE-OD1 3.37Å; K435-D437 IonicContact NZ-OD1 2.63Å; K435-S450 WeakPolarHBondContact O-CB 3.46Å; K435-S450 PolarHBondContact O-OG 2.94Å
436	V	96.7	Very high	93	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	27%	0.265	C	S	.	.			trans	-106.3	123.9	178.9	-179.1	0	0	0	0	108.8	D388 A389 F402 I425 V432 A438 V439 F448	D388-V436 WeakPolarHBondContact CB-O 3.49Å; A389-V436 HydrophobicContact CB-CB 4.34Å; A389-V436 HydrophobicContact CB-CG1 3.69Å; F402-V436 HydrophobicContact CB-CB 4.46Å; F402-V436 HydrophobicContact CD1-CG2 4.47Å; I425-V436 HydrophobicContact CD1-CG2 4.32Å; V432-V436 HydrophobicContact CG1-CG2 4.04Å; V436-A438 WeakPolarHBondContact CG1-O 3.4Å; V436-V439 HydrophobicContact CG1-CB 4.42Å; V436-F448 HydrophobicContact CG1-CD1 3.9Å; V436-F448 HydrophobicContact CG2-CD1 3.98Å
437	D	97.3	Very high	93.1	Very high	37 Å²	37	42.8 Å²	42.8	20%	0.198	24%	0.242	C	C	.	.	S	Bend	trans	-90.3	-28.2	177.3	-59.6	-39.2	0	0	0	111.8	D388 K435 F449 G451	D388-D437 CarbonylContact O-C 3.54Å; K435-D437 WeakPolarHBondContact CE-OD1 3.37Å; K435-D437 IonicContact NZ-OD1 2.63Å; D437-F449 PolarHBondContact N-O 2.69Å; D437-G451 PolarHBondContact OD2-N 3.29Å
438	A	98.1	Very high	93.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	160	172.1	0	0	0	0	0	111.2	I298 V436 F449	I298-A438 HydrophobicContact CB-CB 3.98Å; I298-A438 HydrophobicContact CD1-CB 3.64Å; I298-A438 HydrophobicContact CG1-CB 3.58Å; V436-A438 WeakPolarHBondContact CG1-O 3.4Å; A438-F449 HydrophobicContact CB-CB 4.17Å; A438-F449 HydrophobicContact CB-CD2 4.44Å; A438-F449 PolarHBondContact N-O 3.35Å; A438-F449 PolarHBondContact O-N 3.29Å
439	V	97.9	Very high	93.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	139.3	174.1	54.7	0	0	0	0	111.1	A389 V391 F402 V436 F446 Y447 F448	A389-V439 HydrophobicContact CB-CG1 3.9Å; V391-V439 HydrophobicContact CB-CB 4.44Å; V391-V439 HydrophobicContact CB-CG1 3.65Å; V391-V439 HydrophobicContact CB-CG2 4.15Å; V391-V439 HydrophobicContact CG1-CB 4.39Å; V391-V439 HydrophobicContact CG1-CG1 3.68Å; V391-V439 HydrophobicContact CG1-CG2 3.82Å; F402-V439 HydrophobicContact CD2-CG1 3.91Å; F402-V439 HydrophobicContact CE2-CG1 3.75Å; V436-V439 HydrophobicContact CG1-CB 4.42Å; V439-F446 HydrophobicContact CG2-CD1 4.15Å; V439-Y447 WeakPolarHBondContact CA-O 3.38Å; V439-F448 HydrophobicContact CB-CD1 4.05Å; V439-F448 HydrophobicContact CB-CE1 4.26Å; V439-F448 HydrophobicContact CG2-CD1 3.82Å; V439-F448 HydrophobicContact CG2-CE1 3.75Å; V439-F448 HydrophobicContact CG2-CG 4.38Å; V439-F448 HydrophobicContact CG2-CZ 4.25Å
440	L	94.7	Very high	93.4	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.9	176.4	173.1	65.8	0	0	0	109.6	I298 T300 Y305 A442 Y447 F449 W473	I298-L440 HydrophobicContact CG2-CB 4Å; I298-L440 HydrophobicContact CG2-CD1 4.34Å; I298-L440 HydrophobicContact CG2-CD2 4.44Å; I298-L440 HydrophobicContact CG2-CG 4.49Å; T300-L440 HydrophobicContact CG2-CD1 3.75Å; Y305-L440 HydrophobicContact CD1-CD1 3.71Å; Y305-L440 HydrophobicContact CD1-CD2 3.66Å; Y305-L440 HydrophobicContact CD1-CG 4.29Å; Y305-L440 HydrophobicContact CE1-CD1 3.99Å; Y305-L440 HydrophobicContact CE1-CD2 3.94Å; Y305-L440 HydrophobicContact CE1-CG 4.42Å; L440-A442 HydrophobicContact CD2-CB 4.42Å; L440-A442 HydrophobicContact CG-CB 4.38Å; L440-Y447 PolarHBondContact N-O 3.24Å; L440-Y447 PolarHBondContact O-N 2.85Å; L440-F449 HydrophobicContact CB-CE2 4.24Å; L440-W473 HydrophobicContact CD2-CD2 4.47Å; L440-W473 HydrophobicContact CD2-CE3 4.25Å; L440-W473 HydrophobicContact CD2-CH2 4.14Å; L440-W473 HydrophobicContact CD2-CZ2 4.34Å; L440-W473 HydrophobicContact CD2-CZ3 4.07Å
441	Q	92.3	Very high	93.4	Very high	52 Å²	52	37.1 Å²	37.1	24%	0.243	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.8	167.1	-167.4	-175.6	35	0	0	109.4	V391 D393 F445 F446	V391-Q441 HydrophobicContact CG2-CB 3.75Å; D393-Q441 VanDerWaalsContact CA-OE1 3.31Å; D393-Q441 PolarHBondContact OD2-NE2 3.46Å; Q441-F445 WeakPolarHBondContact CA-O 3.17Å; Q441-F445 WeakPolarHBondContact CG-O 3.38Å; Q441-F446 HydrophobicContact CB-CD1 4.43Å; Q441-F446 HydrophobicContact CB-CE1 4.34Å; Q441-F446 HydrophobicContact CG-CE1 4.3Å; Q441-F446 HydrophobicContact CG-CZ 4.33Å
442	A	86.9	Confident	93.5	Very high	8 Å²	8	36.2 Å²	36.2	7%	0.066	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	150	177.9	0	0	0	0	0	110.4	Y305 L440 G444 F445 Y447 W473	Y305-A442 HydrophobicContact CE1-CB 4.01Å; L440-A442 HydrophobicContact CD2-CB 4.42Å; L440-A442 HydrophobicContact CG-CB 4.38Å; A442-G444 PolarHBondContact O-N 2.9Å; A442-F445 PolarHBondContact N-O 3.41Å; A442-F445 VanDerWaalsContact N-O 3.08Å; A442-F445 PolarHBondContact O-N 3.02Å; A442-Y447 HydrophobicContact CB-CD2 4.19Å; A442-Y447 HydrophobicContact CB-CE2 3.88Å; A442-Y447 WeakPolarHBondContact O-CE2 3.49Å; A442-W473 HydrophobicContact CB-CH2 3.97Å; A442-W473 HydrophobicContact CB-CZ3 4.42Å
443	F	84.3	Confident	93.6	Very high	141 Å²	141	37.4 Å²	37.4	62%	0.618	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	25.5	175.6	-46.3	-63.5	0	0	0	115.5	F445 W473	F443-F445 HydrophobicContact CB-CD2 4.35Å; F443-F445 WeakPolarHBondContact O-CD2 3.4Å; F443-F445 WeakPolarHBondContact O-CE2 3.47Å; F443-W473 HydrophobicContact CD2-CH2 4.18Å; F443-W473 AromaticContact CE2-CH2 3.89Å; F443-W473 HydrophobicContact CE2-CH2 3.89Å; F443-W473 AromaticContact CE2-CZ3 3.94Å; F443-W473 HydrophobicContact CE2-CZ3 3.94Å
444	G	82.2	Confident	93.8	Very high	49 Å²	49	33 Å²	33	51%	0.505	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-0.6	-177.1	0	0	0	0	0	115.4	A442 P459	A442-G444 PolarHBondContact O-N 2.9Å; G444-P459 WeakPolarHBondContact O-CD 3.48Å; G444-P459 WeakPolarHBondContact O-CG 3.4Å
445	F	90.4	Very high	94.2	Very high	55 Å²	55	30 Å²	30	24%	0.241	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	159.2	179.9	-60.2	-87.3	0	0	0	111.7	Q441 A442 F443 Y447 E456 D458	Q441-F445 WeakPolarHBondContact CA-O 3.17Å; Q441-F445 WeakPolarHBondContact CG-O 3.38Å; A442-F445 PolarHBondContact N-O 3.41Å; A442-F445 VanDerWaalsContact N-O 3.08Å; A442-F445 PolarHBondContact O-N 3.02Å; F443-F445 HydrophobicContact CB-CD2 4.35Å; F443-F445 WeakPolarHBondContact O-CD2 3.4Å; F443-F445 WeakPolarHBondContact O-CE2 3.47Å; F445-Y447 HydrophobicContact CB-CD2 4.49Å; F445-Y447 HydrophobicContact CB-CE2 3.85Å; F445-E456 HydrophobicContact CB-CG 4.16Å; F445-E456 HydrophobicContact CD1-CG 4.04Å; F445-E456 HydrophobicContact CG-CG 4.13Å; F445-D458 HydrophobicContact CD1-CB 3.92Å; F445-D458 HydrophobicContact CE1-CB 3.76Å
446	F	95.4	Very high	94.3	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.8	163	-71.7	-94.2	0	0	0	109	V391 V439 Q441 F448 F457 P459	V391-F446 HydrophobicContact CG1-CD1 4.09Å; V391-F446 HydrophobicContact CG1-CE1 3.79Å; V439-F446 HydrophobicContact CG2-CD1 4.15Å; Q441-F446 HydrophobicContact CB-CD1 4.43Å; Q441-F446 HydrophobicContact CB-CE1 4.34Å; Q441-F446 HydrophobicContact CG-CE1 4.3Å; Q441-F446 HydrophobicContact CG-CZ 4.33Å; F446-F448 HydrophobicContact CB-CD2 4.11Å; F446-F448 HydrophobicContact CB-CE2 3.49Å; F446-F448 VanDerWaalsContact CB-CE2 3.49Å; F446-F448 HydrophobicContact CB-CZ 4.02Å; F446-F448 HydrophobicContact CG-CE2 4.33Å; F446-F448 HydrophobicContact CG-CZ 4.46Å; F446-F457 HydrophobicContact CB-CB 4.32Å; F446-F457 HydrophobicContact CB-CD1 4.44Å; F446-F457 PolarHBondContact N-O 3.04Å; F446-F457 PolarHBondContact O-N 2.98Å; F446-P459 HydrophobicContact CD2-CB 4.19Å; F446-P459 HydrophobicContact CD2-CG 4.24Å; F446-P459 HydrophobicContact CE2-CB 4.11Å; F446-P459 HydrophobicContact CE2-CG 4.27Å
447	Y	97.4	Very high	94.3	Very high	12 Å²	12	25.6 Å²	25.6	5%	0.047	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	103.1	176	-63.2	-79.8	0	0	0	107.8	V439 L440 A442 F445 F449 Q454 F455 E456 W473	V439-Y447 WeakPolarHBondContact CA-O 3.38Å; L440-Y447 PolarHBondContact N-O 3.24Å; L440-Y447 PolarHBondContact O-N 2.85Å; A442-Y447 HydrophobicContact CB-CD2 4.19Å; A442-Y447 HydrophobicContact CB-CE2 3.88Å; A442-Y447 WeakPolarHBondContact O-CE2 3.49Å; F445-Y447 HydrophobicContact CB-CD2 4.49Å; F445-Y447 HydrophobicContact CB-CE2 3.85Å; Y447-F449 VanDerWaalsContact O-CD2 3.3Å; Y447-F449 WeakPolarHBondContact O-CD2 3.47Å; Y447-F449 VanDerWaalsContact O-CE2 3.28Å; Y447-F449 WeakPolarHBondContact O-CE2 3.48Å; Y447-Q454 HydrophobicContact CD1-CG 4.38Å; Y447-F455 WeakPolarHBondContact CA-O 3.41Å; Y447-E456 HydrophobicContact CD1-CB 3.91Å; Y447-E456 HydrophobicContact CD1-CG 4.04Å; Y447-E456 HydrophobicContact CE1-CB 3.71Å; Y447-E456 HydrophobicContact CE1-CG 3.44Å; Y447-E456 VanDerWaalsContact CE1-CG 3.44Å; Y447-E456 VanDerWaalsContact CE1-OE2 3.25Å; Y447-E456 WeakPolarHBondContact CE1-OE2 3.3Å; Y447-E456 PolarHBondContact OH-OE2 2.57Å; Y447-W473 AromaticContact CD1-CZ2 3.63Å; Y447-W473 HydrophobicContact CD1-CZ2 3.63Å; Y447-W473 AromaticContact CD2-CH2 3.88Å; Y447-W473 HydrophobicContact CD2-CH2 3.88Å; Y447-W473 AromaticContact CD2-CZ2 3.52Å; Y447-W473 HydrophobicContact CD2-CZ2 3.52Å; Y447-W473 HydrophobicContact CE1-CH2 4.37Å; Y447-W473 AromaticContact CE1-CZ2 3.61Å; Y447-W473 HydrophobicContact CE1-CZ2 3.61Å; Y447-W473 AromaticContact CE2-CH2 3.62Å; Y447-W473 HydrophobicContact CE2-CH2 3.62Å; Y447-W473 AromaticContact CE2-CZ2 3.54Å; Y447-W473 HydrophobicContact CE2-CZ2 3.54Å; Y447-W473 HydrophobicContact CG-CH2 4.36Å; Y447-W473 AromaticContact CG-CZ2 3.55Å; Y447-W473 HydrophobicContact CG-CZ2 3.55Å; Y447-W473 AromaticContact CZ-CH2 3.89Å; Y447-W473 AromaticContact CZ-CZ2 3.59Å
448	F	98.2	Very high	94	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	137.2	177.8	-66.4	-86.4	0	0	0	109.8	F402 F429 V432 V436 V439 F446 Q454 F455 F457	F402-F448 HydrophobicContact CD1-CE1 4.49Å; F402-F448 AromaticContact CE1-CE1 3.72Å; F402-F448 HydrophobicContact CE1-CE1 3.72Å; F402-F448 HydrophobicContact CE1-CZ 4.39Å; F402-F448 HydrophobicContact CE2-CE1 4.27Å; F402-F448 AromaticContact CZ-CE1 3.6Å; F402-F448 HydrophobicContact CZ-CE1 3.6Å; F402-F448 HydrophobicContact CZ-CZ 4.16Å; F429-F448 HydrophobicContact CB-CZ 4.46Å; F429-F448 AromaticContact CD1-CE2 3.84Å; F429-F448 HydrophobicContact CD1-CE2 3.84Å; F429-F448 AromaticContact CD1-CZ 3.53Å; F429-F448 HydrophobicContact CD1-CZ 3.53Å; F429-F448 HydrophobicContact CE1-CE2 4.36Å; F429-F448 AromaticContact CE1-CZ 3.79Å; F429-F448 HydrophobicContact CE1-CZ 3.79Å; F429-F448 HydrophobicContact CG-CE2 4.4Å; F429-F448 AromaticContact CG-CZ 3.94Å; F429-F448 HydrophobicContact CG-CZ 3.94Å; F429-F448 HydrophobicContact CZ-CZ 4.4Å; V432-F448 HydrophobicContact CB-CD2 4.46Å; V432-F448 HydrophobicContact CB-CG 4.49Å; V432-F448 HydrophobicContact CG1-CB 3.74Å; V432-F448 HydrophobicContact CG1-CD1 3.84Å; V432-F448 HydrophobicContact CG1-CD2 4.03Å; V432-F448 HydrophobicContact CG1-CE1 4.44Å; V432-F448 HydrophobicContact CG1-CG 3.6Å; V432-F448 HydrophobicContact CG2-CB 4.48Å; V432-F448 HydrophobicContact CG2-CD2 3.51Å; V432-F448 HydrophobicContact CG2-CE2 3.82Å; V432-F448 HydrophobicContact CG2-CG 3.99Å; V436-F448 HydrophobicContact CG1-CD1 3.9Å; V436-F448 HydrophobicContact CG2-CD1 3.98Å; V439-F448 HydrophobicContact CB-CD1 4.05Å; V439-F448 HydrophobicContact CB-CE1 4.26Å; V439-F448 HydrophobicContact CG2-CD1 3.82Å; V439-F448 HydrophobicContact CG2-CE1 3.75Å; V439-F448 HydrophobicContact CG2-CG 4.38Å; V439-F448 HydrophobicContact CG2-CZ 4.25Å; F446-F448 HydrophobicContact CB-CD2 4.11Å; F446-F448 HydrophobicContact CB-CE2 3.49Å; F446-F448 VanDerWaalsContact CB-CE2 3.49Å; F446-F448 HydrophobicContact CB-CZ 4.02Å; F446-F448 HydrophobicContact CG-CE2 4.33Å; F446-F448 HydrophobicContact CG-CZ 4.46Å; F448-Q454 CarbonylContact O-C 3.48Å; F448-Q454 VanDerWaalsContact O-CA 3.25Å; F448-Q454 WeakPolarHBondContact O-CA 3.23Å; F448-F455 HydrophobicContact CB-CB 4.31Å; F448-F455 PolarHBondContact N-O 3.18Å; F448-F455 PolarHBondContact O-N 2.99Å; F448-F457 HydrophobicContact CD2-CB 3.94Å; F448-F457 HydrophobicContact CE2-CB 3.81Å; F448-F457 HydrophobicContact CE2-CD1 4.31Å; F448-F457 HydrophobicContact CE2-CG 4.11Å
449	F	97.9	Very high	93.6	Very high	2 Å²	2	27 Å²	27	1%	0.009	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.1	179.3	-63.2	-102.2	0	0	0	109.1	F295 I298 F307 D437 A438 L440 Y447 S453 Q454 W473	F295-F449 HydrophobicContact CD2-CD1 4Å; F295-F449 HydrophobicContact CD2-CE1 4.25Å; F295-F449 HydrophobicContact CE2-CD1 4.32Å; F295-F449 HydrophobicContact CE2-CE1 4.22Å; I298-F449 HydrophobicContact CD1-CB 4.44Å; I298-F449 HydrophobicContact CD1-CD1 3.89Å; I298-F449 HydrophobicContact CD1-CD2 3.34Å; I298-F449 HydrophobicContact CD1-CE1 3.88Å; I298-F449 HydrophobicContact CD1-CE2 3.34Å; I298-F449 HydrophobicContact CD1-CG 3.63Å; I298-F449 HydrophobicContact CD1-CZ 3.61Å; F307-F449 HydrophobicContact CE1-CZ 4.27Å; D437-F449 PolarHBondContact N-O 2.69Å; A438-F449 HydrophobicContact CB-CB 4.17Å; A438-F449 HydrophobicContact CB-CD2 4.44Å; A438-F449 PolarHBondContact N-O 3.35Å; A438-F449 PolarHBondContact O-N 3.29Å; L440-F449 HydrophobicContact CB-CE2 4.24Å; Y447-F449 VanDerWaalsContact O-CD2 3.3Å; Y447-F449 WeakPolarHBondContact O-CD2 3.47Å; Y447-F449 VanDerWaalsContact O-CE2 3.28Å; Y447-F449 WeakPolarHBondContact O-CE2 3.48Å; F449-S453 WeakPolarHBondContact CA-O 3.18Å; F449-Q454 HydrophobicContact CD1-CB 3.98Å; F449-Q454 HydrophobicContact CD1-CG 4.26Å; F449-Q454 HydrophobicContact CE1-CB 3.88Å; F449-Q454 HydrophobicContact CE1-CG 3.83Å; F449-Q454 HydrophobicContact CE2-CG 4.4Å; F449-Q454 HydrophobicContact CZ-CB 4.47Å; F449-Q454 HydrophobicContact CZ-CG 3.92Å; F449-W473 AromaticContact CE1-CD1 3.95Å; F449-W473 AromaticContact CZ-CD1 3.71Å; F449-W473 AromaticContact CZ-NE1 3.67Å
450	S	96.6	Very high	93.2	Very high	27 Å²	27	33.8 Å²	33.8	19%	0.189	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	114.1	175.4	-167.2	0	0	0	0	108.5	K435 S452 S453	K435-S450 WeakPolarHBondContact O-CB 3.46Å; K435-S450 PolarHBondContact O-OG 2.94Å; S450-S452 PolarHBondContact O-N 3.47Å; S450-S453 PolarHBondContact N-O 3.47Å; S450-S453 PolarHBondContact O-N 2.87Å; S450-S453 VanDerWaalsContact O-N 3.11Å
451	G	95.3	Very high	92.8	Very high	29 Å²	29	36.3 Å²	36.3	30%	0.299	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-126.9	-169.2	0	0	0	0	0	112	S294 D437 S453	S294-G451 WeakPolarHBondContact CA-O 3.22Å; S294-G451 WeakPolarHBondContact CB-O 3.42Å; D437-G451 PolarHBondContact OD2-N 3.29Å; G451-S453 VanDerWaalsContact C-N 3.29Å; G451-S453 PolarHBondContact O-N 2.9Å
452	S	95	Very high	92.8	Very high	36 Å²	36	40 Å²	40	25%	0.252	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	14.9	-179.4	62.1	0	0	0	0	114.8	P291 L293 S450 K469 S470	P291-S452 WeakPolarHBondContact O-CB 3.24Å; L293-S452 VanDerWaalsContact O-CA 3.29Å; L293-S452 WeakPolarHBondContact O-CA 3.42Å; S450-S452 PolarHBondContact O-N 3.47Å; S452-K469 WeakPolarHBondContact O-CD 3.34Å; S452-S470 PolarHBondContact O-N 2.94Å; S452-S470 VanDerWaalsContact O-N 3.11Å; S452-S470 PolarHBondContact O-OG 3.48Å
453	S	95.8	Very high	93	Very high	36 Å²	36	44.6 Å²	44.6	25%	0.252	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.1	-176.6	-61.2	0	0	0	0	111.6	F449 S450 G451 L468	F449-S453 WeakPolarHBondContact CA-O 3.18Å; S450-S453 PolarHBondContact N-O 3.47Å; S450-S453 PolarHBondContact O-N 2.87Å; S450-S453 VanDerWaalsContact O-N 3.11Å; G451-S453 VanDerWaalsContact C-N 3.29Å; G451-S453 PolarHBondContact O-N 2.9Å; S453-L468 WeakPolarHBondContact CA-O 3.42Å
454	Q	96.5	Very high	93.5	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133.8	174.9	171.9	-158.4	-39.1	0	0	109.3	Y447 F448 F449 I467 L468 S472	Y447-Q454 HydrophobicContact CD1-CG 4.38Å; F448-Q454 CarbonylContact O-C 3.48Å; F448-Q454 VanDerWaalsContact O-CA 3.25Å; F448-Q454 WeakPolarHBondContact O-CA 3.23Å; F449-Q454 HydrophobicContact CD1-CB 3.98Å; F449-Q454 HydrophobicContact CD1-CG 4.26Å; F449-Q454 HydrophobicContact CE1-CB 3.88Å; F449-Q454 HydrophobicContact CE1-CG 3.83Å; F449-Q454 HydrophobicContact CE2-CG 4.4Å; F449-Q454 HydrophobicContact CZ-CB 4.47Å; F449-Q454 HydrophobicContact CZ-CG 3.92Å; Q454-I467 CarbonylContact O-C 3.54Å; Q454-I467 VanDerWaalsContact O-CA 3.3Å; Q454-I467 WeakPolarHBondContact O-CA 3.2Å; Q454-L468 PolarHBondContact N-O 3.46Å; Q454-L468 PolarHBondContact O-N 2.95Å; Q454-S472 PolarHBondContact OE1-OG 3.48Å
455	F	96.9	Very high	93.7	Very high	13 Å²	13	39.8 Å²	39.8	6%	0.057	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	110.6	179.3	-53.6	-101.8	0	0	0	108.3	E433 Y447 F448 F457 V464 I467	E433-F455 HydrophobicContact CG-CE1 4.13Å; E433-F455 HydrophobicContact CG-CE2 3.85Å; E433-F455 HydrophobicContact CG-CZ 3.45Å; E433-F455 VanDerWaalsContact CG-CZ 3.45Å; Y447-F455 WeakPolarHBondContact CA-O 3.41Å; F448-F455 HydrophobicContact CB-CB 4.31Å; F448-F455 PolarHBondContact N-O 3.18Å; F448-F455 PolarHBondContact O-N 2.99Å; F455-F457 PolarHBondContact O-N 2.91Å; F455-V464 HydrophobicContact CB-CG1 4.11Å; F455-V464 HydrophobicContact CB-CG2 4.2Å; F455-V464 HydrophobicContact CD1-CG1 4.3Å; F455-I467 HydrophobicContact CD1-CD1 3.98Å; F455-I467 HydrophobicContact CD1-CG1 3.84Å; F455-I467 HydrophobicContact CD1-CG2 4.39Å; F455-I467 HydrophobicContact CE1-CD1 3.89Å; F455-I467 HydrophobicContact CE1-CG1 4.17Å; F455-I467 HydrophobicContact CE1-CG2 4.25Å
456	E	95.5	Very high	93.5	Very high	22 Å²	22	44.7 Å²	44.7	10%	0.103	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	116.5	169.7	-178.6	-179	87.3	0	0	108.3	F445 Y447 V464 T465 R466	F445-E456 HydrophobicContact CB-CG 4.16Å; F445-E456 HydrophobicContact CD1-CG 4.04Å; F445-E456 HydrophobicContact CG-CG 4.13Å; Y447-E456 HydrophobicContact CD1-CB 3.91Å; Y447-E456 HydrophobicContact CD1-CG 4.04Å; Y447-E456 HydrophobicContact CE1-CB 3.71Å; Y447-E456 HydrophobicContact CE1-CG 3.44Å; Y447-E456 VanDerWaalsContact CE1-CG 3.44Å; Y447-E456 VanDerWaalsContact CE1-OE2 3.25Å; Y447-E456 WeakPolarHBondContact CE1-OE2 3.3Å; Y447-E456 PolarHBondContact OH-OE2 2.57Å; E456-V464 CarbonylContact O-C 3.55Å; E456-V464 VanDerWaalsContact O-CA 3.27Å; E456-V464 WeakPolarHBondContact O-CA 3.03Å; E456-V464 WeakPolarHBondContact O-CG1 3.32Å; E456-T465 WeakPolarHBondContact CG-OG1 3.36Å; E456-T465 PolarHBondContact O-N 2.75Å; E456-T465 PolarHBondContact O-OG1 3.39Å; E456-T465 PolarHBondContact OE1-OG1 2.76Å; E456-R466 HydrophobicContact CB-CB 4.12Å; E456-R466 PolarHBondContact N-O 2.86Å
457	F	95.6	Very high	93.4	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.4	-178	-180	-91.6	0	0	0	110.1	F429 P430 V432 F446 F448 F455 P459 R462 V464	F429-F457 HydrophobicContact CB-CE2 4.24Å; F429-F457 HydrophobicContact CB-CZ 4.28Å; F429-F457 AromaticContact CD1-CD1 3.88Å; F429-F457 HydrophobicContact CD1-CD1 3.88Å; F429-F457 AromaticContact CD1-CE1 3.55Å; F429-F457 HydrophobicContact CD1-CE1 3.55Å; F429-F457 HydrophobicContact CD1-CE2 4.49Å; F429-F457 HydrophobicContact CD1-CG 4.46Å; F429-F457 AromaticContact CD1-CZ 3.9Å; F429-F457 HydrophobicContact CD1-CZ 3.9Å; F429-F457 HydrophobicContact CE1-CD1 4.48Å; F429-F457 HydrophobicContact CE1-CE1 4.16Å; F429-F457 HydrophobicContact CG-CZ 4.5Å; P430-F457 HydrophobicContact CG-CE2 4.44Å; V432-F457 HydrophobicContact CG2-CB 4.48Å; V432-F457 HydrophobicContact CG2-CD2 4.1Å; F446-F457 HydrophobicContact CB-CB 4.32Å; F446-F457 HydrophobicContact CB-CD1 4.44Å; F446-F457 PolarHBondContact N-O 3.04Å; F446-F457 PolarHBondContact O-N 2.98Å; F448-F457 HydrophobicContact CD2-CB 3.94Å; F448-F457 HydrophobicContact CE2-CB 3.81Å; F448-F457 HydrophobicContact CE2-CD1 4.31Å; F448-F457 HydrophobicContact CE2-CG 4.11Å; F455-F457 PolarHBondContact O-N 2.91Å; F457-P459 HydrophobicContact CE1-CB 4.48Å; F457-P459 WeakPolarHBondContact O-CD 3.22Å; F457-R462 HydrophobicContact CZ-CB 4.4Å; F457-V464 HydrophobicContact CD2-CG2 4.13Å
458	D	90.7	Very high	93.1	Very high	33 Å²	33	52.6 Å²	52.6	18%	0.176	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	113.3	174.5	-174.5	-25.2	0	0	0	109.8	F445 N460 A461 R462 M463 T465	F445-D458 HydrophobicContact CD1-CB 3.92Å; F445-D458 HydrophobicContact CE1-CB 3.76Å; D458-N460 PolarHBondContact O-N 3.06Å; D458-N460 WeakPolarHBondContact OD1-CA 3.47Å; D458-N460 WeakPolarHBondContact OD1-CB 3.48Å; D458-N460 PolarHBondContact OD1-N 2.85Å; D458-N460 PolarHBondContact OD1-ND2 3.03Å; D458-A461 HydrophobicContact CB-CB 4.02Å; D458-A461 PolarHBondContact OD1-N 3.37Å; D458-R462 VanDerWaalsContact O-CA 3.3Å; D458-R462 WeakPolarHBondContact O-CA 3.37Å; D458-R462 PolarHBondContact O-N 2.94Å; D458-M463 PolarHBondContact N-O 2.8Å; D458-M463 PolarHBondContact O-N 3.5Å; D458-T465 HydrophobicContact CB-CG2 3.81Å
459	P	89.5	Confident	92.9	Very high	34 Å²	34	57.2 Å²	57.2	22%	0.221	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-19.5	-179.6	29.1	-35	0	0	0	113.9	G444 F446 F457	G444-P459 WeakPolarHBondContact O-CD 3.48Å; G444-P459 WeakPolarHBondContact O-CG 3.4Å; F446-P459 HydrophobicContact CD2-CB 4.19Å; F446-P459 HydrophobicContact CD2-CG 4.24Å; F446-P459 HydrophobicContact CE2-CB 4.11Å; F446-P459 HydrophobicContact CE2-CG 4.27Å; F457-P459 HydrophobicContact CE1-CB 4.48Å; F457-P459 WeakPolarHBondContact O-CD 3.22Å
460	N	89.7	Confident	92.7	Very high	144 Å²	144	57.1 Å²	57.1	77%	0.77	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-45.7	177.9	-56.6	-59.8	0	0	0	111.1	D458 R462	D458-N460 PolarHBondContact O-N 3.06Å; D458-N460 WeakPolarHBondContact OD1-CA 3.47Å; D458-N460 WeakPolarHBondContact OD1-CB 3.48Å; D458-N460 PolarHBondContact OD1-N 2.85Å; D458-N460 PolarHBondContact OD1-ND2 3.03Å; N460-R462 VanDerWaalsContact C-N 3.28Å
461	A	87.5	Confident	92.4	Very high	58 Å²	58	56.3 Å²	56.3	48%	0.479	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.6	176.2	0	0	0	0	0	112.9	D458 M463	D458-A461 HydrophobicContact CB-CB 4.02Å; D458-A461 PolarHBondContact OD1-N 3.37Å; A461-M463 HydrophobicContact CB-CG 4.07Å
462	R	92.6	Very high	92.1	Very high	129 Å²	129	56.6 Å²	56.6	49%	0.487	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	49.9	-176.2	-62.5	-174	65.6	-162.4	-4	112.6	D427 D428 P430 F457 D458 N460	D427-R462 PolarHBondContact O-NH2 2.81Å; D428-R462 IonicContact OD1-NH2 3.55Å; P430-R462 WeakPolarHBondContact CG-O 3.47Å; F457-R462 HydrophobicContact CZ-CB 4.4Å; D458-R462 VanDerWaalsContact O-CA 3.3Å; D458-R462 WeakPolarHBondContact O-CA 3.37Å; D458-R462 PolarHBondContact O-N 2.94Å; N460-R462 VanDerWaalsContact C-N 3.28Å
463	M	91.1	Very high	91.7	Very high	105 Å²	105	55.6 Å²	55.6	52%	0.517	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	158.9	176	65.7	-179.2	-61.2	0	0	111.8	D458 A461 T465	D458-M463 PolarHBondContact N-O 2.8Å; D458-M463 PolarHBondContact O-N 3.5Å; A461-M463 HydrophobicContact CB-CG 4.07Å; M463-T465 PolarHBondContact O-N 3.31Å
464	V	94	Very high	91.2	Very high	26 Å²	26	53.9 Å²	53.9	16%	0.158	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.9	168	176.6	0	0	0	0	109.5	G431 V432 F455 E456 F457 R466 I467	G431-V464 VanDerWaalsContact C-CG2 3.5Å; G431-V464 WeakPolarHBondContact O-CG2 3.19Å; V432-V464 HydrophobicContact CG2-CG2 4.01Å; F455-V464 HydrophobicContact CB-CG1 4.11Å; F455-V464 HydrophobicContact CB-CG2 4.2Å; F455-V464 HydrophobicContact CD1-CG1 4.3Å; E456-V464 CarbonylContact O-C 3.55Å; E456-V464 VanDerWaalsContact O-CA 3.27Å; E456-V464 WeakPolarHBondContact O-CA 3.03Å; E456-V464 WeakPolarHBondContact O-CG1 3.32Å; F457-V464 HydrophobicContact CD2-CG2 4.13Å; V464-R466 WeakPolarHBondContact CG1-O 3.25Å; V464-I467 HydrophobicContact CG1-CG1 3.92Å
465	T	86.1	Confident	90.4	Very high	62 Å²	62	58 Å²	58	38%	0.38	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-34.3	-179	51	0	0	0	0	111.9	E456 D458 M463	E456-T465 WeakPolarHBondContact CG-OG1 3.36Å; E456-T465 PolarHBondContact O-N 2.75Å; E456-T465 PolarHBondContact O-OG1 3.39Å; E456-T465 PolarHBondContact OE1-OG1 2.76Å; D458-T465 HydrophobicContact CB-CG2 3.81Å; M463-T465 PolarHBondContact O-N 3.31Å
466	R	87.3	Confident	89.5	Confident	159 Å²	159	61.1 Å²	61.1	60%	0.6	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147	146.1	-177.7	-64.1	-179.5	174.9	173.5	-1.2	111.3	E456 V464	E456-R466 HydrophobicContact CB-CB 4.12Å; E456-R466 PolarHBondContact N-O 2.86Å; V464-R466 WeakPolarHBondContact CG1-O 3.25Å
467	I	92.2	Very high	89.2	Confident	106 Å²	106	63.1 Å²	63.1	54%	0.544	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.4	169.4	-55	175.8	0	0	0	107.6	Q454 F455 V464	Q454-I467 CarbonylContact O-C 3.54Å; Q454-I467 VanDerWaalsContact O-CA 3.3Å; Q454-I467 WeakPolarHBondContact O-CA 3.2Å; F455-I467 HydrophobicContact CD1-CD1 3.98Å; F455-I467 HydrophobicContact CD1-CG1 3.84Å; F455-I467 HydrophobicContact CD1-CG2 4.39Å; F455-I467 HydrophobicContact CE1-CD1 3.89Å; F455-I467 HydrophobicContact CE1-CG1 4.17Å; F455-I467 HydrophobicContact CE1-CG2 4.25Å; V464-I467 HydrophobicContact CG1-CG1 3.92Å
468	L	91.4	Very high	88.9	Confident	76 Å²	76	66.2 Å²	66.2	40%	0.398	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	171.2	-178.9	-63.3	177.2	0	0	0	110	S453 Q454	S453-L468 WeakPolarHBondContact CA-O 3.42Å; Q454-L468 PolarHBondContact N-O 3.46Å; Q454-L468 PolarHBondContact O-N 2.95Å
469	K	94.4	Very high	88.8	Confident	97 Å²	97	68 Å²	68	42%	0.422	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	143.2	165.7	-69.2	-63.4	-170.1	167.9	0	110.2	P291 S452 N471 S472	P291-K469 PolarHBondContact O-NZ 2.99Å; S452-K469 WeakPolarHBondContact O-CD 3.34Å; K469-N471 WeakPolarHBondContact CB-OD1 3.48Å; K469-N471 PolarHBondContact O-N 2.92Å; K469-S472 WeakPolarHBondContact O-CB 3.49Å; K469-S472 PolarHBondContact O-N 3.36Å; K469-S472 PolarHBondContact O-OG 3.01Å
470	S	92.3	Very high	88.8	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-51.1	-40.4	176.4	51.7	0	0	0	0	112.1	L293 F295 S452 S472	L293-S470 PolarHBondContact O-OG 2.9Å; F295-S470 WeakPolarHBondContact CE2-O 3.24Å; S452-S470 PolarHBondContact O-N 2.94Å; S452-S470 VanDerWaalsContact O-N 3.11Å; S452-S470 PolarHBondContact O-OG 3.48Å; S470-S472 PolarHBondContact O-N 2.71Å
471	N	91.7	Very high	88.7	Confident	10 Å²	10	65.4 Å²	65.4	5%	0.053	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-77.1	2.1	-179.3	68.9	-9	0	0	0	115	K288 D290 L293 K469 W473 L474	K288-N471 WeakPolarHBondContact O-CB 3.22Å; D290-N471 PolarHBondContact O-ND2 3.02Å; D290-N471 VanDerWaalsContact O-ND2 3.14Å; L293-N471 HydrophobicContact CB-CB 4.42Å; L293-N471 HydrophobicContact CD2-CB 3.97Å; K469-N471 WeakPolarHBondContact CB-OD1 3.48Å; K469-N471 PolarHBondContact O-N 2.92Å; N471-W473 PolarHBondContact O-N 3.31Å; N471-L474 WeakPolarHBondContact O-CA 3.36Å; N471-L474 WeakPolarHBondContact O-CB 3.35Å; N471-L474 PolarHBondContact O-N 2.87Å
472	S	89.4	Confident	88.8	Confident	35 Å²	35	65.9 Å²	65.9	25%	0.245	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-61.4	-26.7	177.7	63.9	0	0	0	0	113.1	Q454 K469 S470 L474 C476	Q454-S472 PolarHBondContact OE1-OG 3.48Å; K469-S472 WeakPolarHBondContact O-CB 3.49Å; K469-S472 PolarHBondContact O-N 3.36Å; K469-S472 PolarHBondContact O-OG 3.01Å; S470-S472 PolarHBondContact O-N 2.71Å; S472-L474 PolarHBondContact O-N 2.74Å; S472-C476 WeakPolarHBondContact CA-OXT 3.33Å
473	W	86.2	Confident	88.5	Confident	16 Å²	16	61.4 Å²	61.4	6%	0.061	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-71.1	-14.1	172	-69.6	82.7	0	0	0	113.8	F307 R316 L440 A442 F443 Y447 F449 N471	F307-W473 HydrophobicContact CE1-CB 3.77Å; F307-W473 AromaticContact CE1-CG 3.96Å; F307-W473 HydrophobicContact CE1-CG 3.96Å; F307-W473 HydrophobicContact CE2-CB 4.22Å; F307-W473 HydrophobicContact CZ-CB 3.43Å; F307-W473 VanDerWaalsContact CZ-CB 3.43Å; F307-W473 HydrophobicContact CZ-CD2 4.14Å; F307-W473 HydrophobicContact CZ-CE3 4.26Å; F307-W473 AromaticContact CZ-CG 3.78Å; F307-W473 HydrophobicContact CZ-CG 3.78Å; R316-W473 WeakPolarHBondContact CD-O 3.14Å; R316-W473 PolarHBondContact NH1-O 2.55Å; L440-W473 HydrophobicContact CD2-CD2 4.47Å; L440-W473 HydrophobicContact CD2-CE3 4.25Å; L440-W473 HydrophobicContact CD2-CH2 4.14Å; L440-W473 HydrophobicContact CD2-CZ2 4.34Å; L440-W473 HydrophobicContact CD2-CZ3 4.07Å; A442-W473 HydrophobicContact CB-CH2 3.97Å; A442-W473 HydrophobicContact CB-CZ3 4.42Å; F443-W473 HydrophobicContact CD2-CH2 4.18Å; F443-W473 AromaticContact CE2-CH2 3.89Å; F443-W473 HydrophobicContact CE2-CH2 3.89Å; F443-W473 AromaticContact CE2-CZ3 3.94Å; F443-W473 HydrophobicContact CE2-CZ3 3.94Å; Y447-W473 AromaticContact CD1-CZ2 3.63Å; Y447-W473 HydrophobicContact CD1-CZ2 3.63Å; Y447-W473 AromaticContact CD2-CH2 3.88Å; Y447-W473 HydrophobicContact CD2-CH2 3.88Å; Y447-W473 AromaticContact CD2-CZ2 3.52Å; Y447-W473 HydrophobicContact CD2-CZ2 3.52Å; Y447-W473 HydrophobicContact CE1-CH2 4.37Å; Y447-W473 AromaticContact CE1-CZ2 3.61Å; Y447-W473 HydrophobicContact CE1-CZ2 3.61Å; Y447-W473 AromaticContact CE2-CH2 3.62Å; Y447-W473 HydrophobicContact CE2-CH2 3.62Å; Y447-W473 AromaticContact CE2-CZ2 3.54Å; Y447-W473 HydrophobicContact CE2-CZ2 3.54Å; Y447-W473 HydrophobicContact CG-CH2 4.36Å; Y447-W473 AromaticContact CG-CZ2 3.55Å; Y447-W473 HydrophobicContact CG-CZ2 3.55Å; Y447-W473 AromaticContact CZ-CH2 3.89Å; Y447-W473 AromaticContact CZ-CZ2 3.59Å; F449-W473 AromaticContact CE1-CD1 3.95Å; F449-W473 AromaticContact CZ-CD1 3.71Å; F449-W473 AromaticContact CZ-NE1 3.67Å; N471-W473 PolarHBondContact O-N 3.31Å
474	L	85	Confident	88.3	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-101.5	15.2	-175.1	-54.5	-174.2	0	0	0	113.7	K288 L293 F295 F307 W314 P323 N471 S472	K288-L474 HydrophobicContact CD-CB 4.14Å; K288-L474 WeakPolarHBondContact CE-O 3.03Å; K288-L474 HydrophobicContact CG-CB 3.73Å; K288-L474 HydrophobicContact CG-CD1 3.88Å; K288-L474 HydrophobicContact CG-CG 4.44Å; K288-L474 PolarHBondContact NZ-O 3.42Å; L293-L474 HydrophobicContact CD2-CD1 3.78Å; F295-L474 HydrophobicContact CE1-CD1 3.99Å; F295-L474 HydrophobicContact CZ-CD1 3.71Å; F295-L474 HydrophobicContact CZ-CG 4.19Å; F307-L474 HydrophobicContact CD2-CD2 3.9Å; F307-L474 HydrophobicContact CE2-CD2 4.19Å; F307-L474 HydrophobicContact CG-CD2 4.28Å; W314-L474 HydrophobicContact CB-CD2 3.82Å; W314-L474 HydrophobicContact CD2-CD1 3.7Å; W314-L474 HydrophobicContact CE3-CD1 4.07Å; W314-L474 HydrophobicContact CG-CD1 3.92Å; W314-L474 HydrophobicContact CG-CD2 4.02Å; W314-L474 HydrophobicContact CZ2-CD1 4.4Å; P323-L474 HydrophobicContact CB-CD2 3.87Å; P323-L474 HydrophobicContact CG-CB 4.04Å; P323-L474 HydrophobicContact CG-CD2 3.78Å; N471-L474 WeakPolarHBondContact O-CA 3.36Å; N471-L474 WeakPolarHBondContact O-CB 3.35Å; N471-L474 PolarHBondContact O-N 2.87Å; S472-L474 PolarHBondContact O-N 2.74Å
475	H	80.4	Confident	87.9	Confident	88 Å²	88	60.7 Å²	60.7	41%	0.407	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	42.4	-178.9	-64.1	-85.4	0	0	0	113.3	R316 S321	R316-H475 PolarHBondContact NE-NE2 3.23Å; R316-H475 VanDerWaalsContact NE-NE2 3.2Å; R316-H475 PolarHBondContact NH2-NE2 3.5Å; S321-H475 PolarHBondContact O-CD2 3.07Å; S321-H475 PolarHBondContact O-NE2 2.71Å
476	C	78	Confident	88	Confident	79 Å²	79	60.5 Å²	60.5	53%	0.534	30%	0.297	S	S	.	.			trans	-114.8	0	161.3	-41.9	0	0	0	0	106.7	K288 C289 S472	K288-C476 PolarHBondContact O-SG 3.41Å; C289-C476 WeakPolarHBondContact CA-SG 3.37Å; C289-C476 HydrophobicContact CB-CB 3.74Å; C289-C476 WeakPolarHBondContact CB-SG 3.29Å; C289-C476 WeakPolarHBondContact SG-CB 3.42Å; C289-C476 CovalentContact SG-SG 2.04Å; C289-C476 PolarHBondContact SG-SG 3.2Å; S472-C476 WeakPolarHBondContact CA-OXT 3.33Å

Retrieved 476 of 476 residues in 169 ms (Link to these results)

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