A0A096MRE2_PAPAN Loading...

interstitial collagenase

AlphaFold DB , UniProt , Accession A0A096MRE2, Species PAPAN (Papio anubis, Olive baboon), Gene MMP1, Length 469 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	36.6	Very low	230 Å²	230	153.6 Å²	153.6	100%	1.133	82%	0.821	S	S	*	*				0	132.6	0	-85.1	166.4	121.3	0	0	108.2
2	H	37.2	Very low	36.2	Very low	168 Å²	168	156.6 Å²	156.6	78%	0.778	82%	0.822	S	S	*	*			trans	71.7	86.5	174.7	-59.4	-54.5	0	0	0	118.8
3	S	36.1	Very low	35.8	Very low	124 Å²	124	162 Å²	162	87%	0.867	82%	0.824	S	S	*	*			trans	-62.4	134.1	151.9	-48.8	0	0	0	0	111.4
4	F	34.7	Very low	35.4	Very low	186 Å²	186	154.6 Å²	154.6	82%	0.816	81%	0.809	S	S	*	*			trans	-130.2	138.3	158.8	-91.2	-85.5	0	0	0	108.1
5	P	40.3	Very low	35.4	Very low	112 Å²	112	153.1 Å²	153.1	73%	0.727	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-88.8	151.8	-171.5	35.1	-32.4	0	0	0	112.4
6	P	40	Very low	35	Very low	122 Å²	122	150.1 Å²	150.1	79%	0.792	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-82.7	132.5	163.8	31.2	-27.5	0	0	0	110.5	L8	P6-L8 PolarHBondContact O-N 3.08Å
7	L	37.5	Very low	34.9	Very low	156 Å²	156	147.6 Å²	147.6	82%	0.817	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-50.1	124.3	169.5	-93	78.4	0	0	0	110.9
8	L	35.2	Very low	34.7	Very low	159 Å²	159	147.6 Å²	147.6	83%	0.832	79%	0.789	S	S	*	*			trans	-98.3	104.1	158.3	-133.5	94.8	0	0	0	107.9	P6 L10	P6-L8 PolarHBondContact O-N 3.08Å; L8-L10 PolarHBondContact O-N 3.44Å
9	L	35.4	Very low	34.8	Very low	152 Å²	152	143.4 Å²	143.4	80%	0.796	78%	0.784	S	S	*	*			trans	-71.6	104.8	167.7	-101.3	132.3	0	0	0	108.4	L11	L9-L11 PolarHBondContact O-N 2.89Å
10	L	33.9	Very low	35.1	Very low	139 Å²	139	145.6 Å²	145.6	73%	0.728	79%	0.786	S	S	*	*			trans	-71.7	102.3	166.8	-89.1	151.7	0	0	0	108.9	L8 F12	L8-L10 PolarHBondContact O-N 3.44Å; L10-F12 PolarHBondContact O-N 3.09Å; L10-F12 VanDerWaalsContact O-N 3.09Å
11	L	34.5	Very low	35.5	Very low	142 Å²	142	144 Å²	144	74%	0.743	78%	0.784	S	S	*	*			trans	-71.3	93.5	165	-90.4	157.9	0	0	0	108.9	L9 W13	L9-L11 PolarHBondContact O-N 2.89Å; L11-W13 PolarHBondContact O-N 3.21Å; L11-W13 VanDerWaalsContact O-N 3.17Å
12	F	31	Very low	36	Very low	189 Å²	189	136.2 Å²	136.2	83%	0.829	76%	0.756	S	S	*	*			trans	-69.8	100.3	162.5	-103	-90	0	0	0	108.7	L10 G14	L10-F12 PolarHBondContact O-N 3.09Å; L10-F12 VanDerWaalsContact O-N 3.09Å; F12-G14 VanDerWaalsContact C-N 3.32Å; F12-G14 PolarHBondContact O-N 2.6Å; F12-G14 VanDerWaalsContact O-N 3.16Å
13	W	31.6	Very low	36.9	Very low	227 Å²	227	132 Å²	132	86%	0.86	74%	0.742	S	S	*	*			trans	-79.2	88.6	161.4	-83.2	45.2	0	0	0	107.9	L11 V15	L11-W13 PolarHBondContact O-N 3.21Å; L11-W13 VanDerWaalsContact O-N 3.17Å; W13-V15 PolarHBondContact O-N 3.06Å
14	G	30.3	Very low	37.9	Very low	59 Å²	59	132.8 Å²	132.8	61%	0.608	74%	0.735	S	S	*	*			trans	-67.1	113.6	163.3	0	0	0	0	0	108.8	F12 V16	F12-G14 VanDerWaalsContact C-N 3.32Å; F12-G14 PolarHBondContact O-N 2.6Å; F12-G14 VanDerWaalsContact O-N 3.16Å; G14-V16 PolarHBondContact O-N 3.05Å
15	V	34.6	Very low	39.1	Very low	132 Å²	132	130.8 Å²	130.8	80%	0.8	73%	0.728	S	S	*	*			trans	-71.1	90	165.4	-175.8	0	0	0	0	106.7	W13 S17	W13-V15 PolarHBondContact O-N 3.06Å; V15-S17 PolarHBondContact O-N 3.5Å
16	V	29.7	Very low	40.2	Very low	105 Å²	105	128.1 Å²	128.1	64%	0.636	71%	0.71	S	S	*	*			trans	-70.8	99.3	167.5	-175.5	0	0	0	0	106.3	G14 H18	G14-V16 PolarHBondContact O-N 3.05Å; V16-H18 WeakPolarHBondContact CG1-CE1 3.3Å; V16-H18 WeakPolarHBondContact CG1-ND1 3.26Å; V16-H18 PolarHBondContact O-N 3.17Å; V16-H18 PolarHBondContact O-ND1 3.21Å
17	S	33.2	Very low	41.5	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	69%	0.692	S	S	*	*			trans	-62	101.5	168	-66.2	0	0	0	0	107.9	V15 G19	V15-S17 PolarHBondContact O-N 3.5Å; S17-G19 VanDerWaalsContact C-N 3.28Å; S17-G19 PolarHBondContact O-N 2.86Å
18	H	31.4	Very low	43.1	Very low	147 Å²	147	124.5 Å²	124.5	68%	0.681	68%	0.679	S	S	*	*			trans	-78.2	86.4	170.5	-71.6	46.8	0	0	0	107.2	V16 F20	V16-H18 WeakPolarHBondContact CG1-CE1 3.3Å; V16-H18 WeakPolarHBondContact CG1-ND1 3.26Å; V16-H18 PolarHBondContact O-N 3.17Å; V16-H18 PolarHBondContact O-ND1 3.21Å; H18-F20 PolarHBondContact O-N 2.78Å; H18-F20 VanDerWaalsContact O-N 3.15Å
19	G	36	Very low	45.1	Very low	68 Å²	68	123.3 Å²	123.3	70%	0.701	67%	0.669	S	S	*	*			trans	-65.3	106.4	157.5	0	0	0	0	0	107	S17 P21	S17-G19 VanDerWaalsContact C-N 3.28Å; S17-G19 PolarHBondContact O-N 2.86Å; G19-P21 WeakPolarHBondContact O-CD 3.33Å
20	F	41	Very low	47.4	Very low	187 Å²	187	117.9 Å²	117.9	82%	0.82	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-59.7	123	171.9	-83.7	-90.6	0	0	0	108.4	H18	H18-F20 PolarHBondContact O-N 2.78Å; H18-F20 VanDerWaalsContact O-N 3.15Å
21	P	44.7	Very low	49.7	Very low	113 Å²	113	112.4 Å²	112.4	73%	0.734	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-63.9	137	171.6	24.3	-29.4	0	0	0	109.1	G19 T23	G19-P21 WeakPolarHBondContact O-CD 3.33Å; P21-T23 PolarHBondContact O-N 3.38Å
22	A	48.7	Very low	52.2	Low	66 Å²	66	108.7 Å²	108.7	55%	0.545	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-54.1	133.2	172.2	0	0	0	0	0	109.7
23	T	55.3	Low	55.1	Low	80 Å²	80	101.7 Å²	101.7	49%	0.491	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-63.6	147.7	178.6	53.3	0	0	0	0	110.5	P21 E25 T26 Q27	P21-T23 PolarHBondContact O-N 3.38Å; T23-E25 PolarHBondContact O-N 3.45Å; T23-T26 PolarHBondContact O-N 2.98Å; T23-T26 VanDerWaalsContact O-N 3.07Å; T23-T26 PolarHBondContact OG1-OG1 2.94Å; T23-Q27 PolarHBondContact O-N 2.74Å
24	L	58.2	Low	58.1	Low	140 Å²	140	91.3 Å²	91.3	73%	0.733	53%	0.526	S	S	*	.	H	α-helix	trans	-53.4	-37.4	178.1	-86.3	128.2	0	0	0	112.4	T26 Q27 E28	L24-T26 PolarHBondContact O-N 2.94Å; L24-Q27 WeakPolarHBondContact O-CB 3.34Å; L24-Q27 PolarHBondContact O-N 3.13Å; L24-E28 PolarHBondContact O-N 2.8Å; L24-E28 VanDerWaalsContact O-N 3.11Å
25	E	58.8	Low	61	Low	143 Å²	143	89 Å²	89	67%	0.668	50%	0.5	S	S	*	.	H	α-helix	trans	-60	-41.4	176.8	-68.3	175.3	169.7	0	0	113	T23 Q27 E28 Q29	T23-E25 PolarHBondContact O-N 3.45Å; E25-Q27 VanDerWaalsContact C-N 3.29Å; E25-Q27 PolarHBondContact O-N 2.78Å; E25-E28 PolarHBondContact O-N 3.09Å; E25-Q29 WeakPolarHBondContact O-CG 3.48Å; E25-Q29 PolarHBondContact O-N 3.34Å; E25-Q29 VanDerWaalsContact O-N 3.15Å
26	T	63.9	Low	63.7	Low	57 Å²	57	88.3 Å²	88.3	35%	0.35	49%	0.486	S	S	.	.	H	α-helix	trans	-66.1	-36.8	178.5	-47.3	0	0	0	0	110.6	T23 L24 D30	T23-T26 PolarHBondContact O-N 2.98Å; T23-T26 VanDerWaalsContact O-N 3.07Å; T23-T26 PolarHBondContact OG1-OG1 2.94Å; L24-T26 PolarHBondContact O-N 2.94Å; T26-D30 PolarHBondContact O-N 3.33Å; T26-D30 VanDerWaalsContact O-N 3.13Å
27	Q	67.1	Low	66.8	Low	85 Å²	85	83.7 Å²	83.7	40%	0.397	46%	0.457	S	S	.	.	H	α-helix	trans	-69.8	-32.9	178.9	-82.5	-160.8	19.1	0	0	113.7	T23 L24 E25 V31 R55	T23-Q27 PolarHBondContact O-N 2.74Å; L24-Q27 WeakPolarHBondContact O-CB 3.34Å; L24-Q27 PolarHBondContact O-N 3.13Å; E25-Q27 VanDerWaalsContact C-N 3.29Å; E25-Q27 PolarHBondContact O-N 2.78Å; Q27-V31 VanDerWaalsContact O-CG2 3.24Å; Q27-V31 WeakPolarHBondContact O-CG2 3.24Å; Q27-V31 PolarHBondContact O-N 3.43Å; Q27-R55 PolarHBondContact O-NH2 2.99Å; Q27-R55 VanDerWaalsContact OE1-NH1 3.16Å
28	E	70.3	Confident	69.8	Low	116 Å²	116	78.6 Å²	78.6	54%	0.542	42%	0.421	S	S	.	.	H	α-helix	trans	-72.7	-43	175.3	-76.2	-179.9	-176.9	0	0	111.5	L24 E25 D30 V31 D32	L24-E28 PolarHBondContact O-N 2.8Å; L24-E28 VanDerWaalsContact O-N 3.11Å; E25-E28 PolarHBondContact O-N 3.09Å; E28-D30 PolarHBondContact O-N 3.4Å; E28-V31 PolarHBondContact O-N 2.88Å; E28-V31 VanDerWaalsContact O-N 3.16Å; E28-D32 PolarHBondContact O-N 2.85Å
29	Q	77.8	Confident	72.6	Confident	135 Å²	135	74.1 Å²	74.1	63%	0.631	40%	0.401	S	S	*	.	H	α-helix	trans	-60.3	-43	177.2	-72.7	176.4	-4	0	0	112.5	E25 V31 D32 L33	E25-Q29 WeakPolarHBondContact O-CG 3.48Å; E25-Q29 PolarHBondContact O-N 3.34Å; E25-Q29 VanDerWaalsContact O-N 3.15Å; Q29-V31 VanDerWaalsContact C-N 3.26Å; Q29-V31 PolarHBondContact O-N 3Å; Q29-D32 PolarHBondContact O-N 2.99Å; Q29-L33 WeakPolarHBondContact O-CB 3.28Å; Q29-L33 PolarHBondContact O-N 3.05Å
30	D	83.8	Confident	75.3	Confident	38 Å²	38	74.2 Å²	74.2	20%	0.203	38%	0.382	C	S	.	.	H	α-helix	trans	-66.8	-28.3	178.4	-74.4	-27.6	0	0	0	112.3	T26 E28 V34 L84 K88	T26-D30 PolarHBondContact O-N 3.33Å; T26-D30 VanDerWaalsContact O-N 3.13Å; E28-D30 PolarHBondContact O-N 3.4Å; D30-V34 WeakPolarHBondContact O-CG2 3.36Å; D30-V34 PolarHBondContact O-N 3.21Å; D30-L84 HydrophobicContact CB-CD1 4.01Å; D30-L84 HydrophobicContact CB-CD2 4.02Å; D30-K88 IonicContact OD1-NZ 2.67Å; D30-K88 PolarHBondContact OD1-NZ 3.32Å; D30-K88 VanDerWaalsContact OD1-NZ 3.11Å
31	V	82.4	Confident	77.8	Confident	24 Å²	24	65.9 Å²	65.9	15%	0.145	35%	0.345	C	S	.	.	H	α-helix	trans	-73.4	-45.9	175.8	173	0	0	0	0	111.2	Q27 E28 Q29 L33 V34 Q35 V51 R55	Q27-V31 VanDerWaalsContact O-CG2 3.24Å; Q27-V31 WeakPolarHBondContact O-CG2 3.24Å; Q27-V31 PolarHBondContact O-N 3.43Å; E28-V31 PolarHBondContact O-N 2.88Å; E28-V31 VanDerWaalsContact O-N 3.16Å; Q29-V31 VanDerWaalsContact C-N 3.26Å; Q29-V31 PolarHBondContact O-N 3Å; V31-L33 VanDerWaalsContact C-N 3.29Å; V31-L33 PolarHBondContact O-N 2.99Å; V31-V34 PolarHBondContact O-N 3.41Å; V31-Q35 WeakPolarHBondContact O-CB 3.46Å; V31-Q35 PolarHBondContact O-N 2.75Å; V31-V51 HydrophobicContact CG1-CG1 3.55Å; V31-R55 HydrophobicContact CG2-CG 3.96Å
32	D	87.3	Confident	80.1	Confident	63 Å²	63	60.5 Å²	60.5	34%	0.337	31%	0.31	S	S	.	.	H	α-helix	trans	-60.8	-40.8	177.4	-177.5	61.4	0	0	0	111.3	E28 Q29 Q35 K36	E28-D32 PolarHBondContact O-N 2.85Å; Q29-D32 PolarHBondContact O-N 2.99Å; D32-Q35 PolarHBondContact O-N 2.84Å; D32-K36 WeakPolarHBondContact O-CB 3.29Å; D32-K36 WeakPolarHBondContact O-CG 3.36Å; D32-K36 PolarHBondContact O-N 3.15Å; D32-K36 WeakPolarHBondContact OD1-CE 3.42Å; D32-K36 IonicContact OD1-NZ 3.81Å; D32-K36 PolarHBondContact OD1-NZ 2.84Å; D32-K36 VanDerWaalsContact OD2-CE 3.23Å; D32-K36 WeakPolarHBondContact OD2-CE 3.47Å; D32-K36 IonicContact OD2-NZ 3.34Å; D32-K36 PolarHBondContact OD2-NZ 2.95Å
33	L	91.8	Very high	82	Confident	43 Å²	43	59.6 Å²	59.6	23%	0.225	30%	0.296	C	S	.	.	H	α-helix	trans	-57	-52.3	173.2	174.3	65.5	0	0	0	111.9	Q29 V31 Q35 K36 Y37 L84 M87 K88	Q29-L33 WeakPolarHBondContact O-CB 3.28Å; Q29-L33 PolarHBondContact O-N 3.05Å; V31-L33 VanDerWaalsContact C-N 3.29Å; V31-L33 PolarHBondContact O-N 2.99Å; L33-Q35 VanDerWaalsContact C-N 3.34Å; L33-Q35 PolarHBondContact O-N 3.37Å; L33-K36 PolarHBondContact O-N 3.48Å; L33-Y37 WeakPolarHBondContact O-CB 3.44Å; L33-Y37 PolarHBondContact O-N 2.81Å; L33-L84 HydrophobicContact CD2-CD2 4.13Å; L33-M87 HydrophobicContact CD1-CB 4.42Å; L33-M87 HydrophobicContact CD2-CB 4.17Å; L33-M87 HydrophobicContact CG-CB 4.27Å; L33-K88 HydrophobicContact CD2-CD 4.15Å; L33-K88 HydrophobicContact CD2-CG 3.69Å
34	V	93.8	Very high	83.6	Confident	8 Å²	8	56.3 Å²	56.3	5%	0.048	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-45.4	-178.2	171	0	0	0	0	110.6	D30 V31 Y37 L38 V60 L64 P79 L84 M87	D30-V34 WeakPolarHBondContact O-CG2 3.36Å; D30-V34 PolarHBondContact O-N 3.21Å; V31-V34 PolarHBondContact O-N 3.41Å; V34-Y37 PolarHBondContact O-N 3.44Å; V34-L38 HydrophobicContact CG1-CD1 3.83Å; V34-L38 HydrophobicContact CG1-CG 4.38Å; V34-L38 WeakPolarHBondContact O-CB 3.17Å; V34-L38 VanDerWaalsContact O-CG 3.24Å; V34-L38 WeakPolarHBondContact O-CG 3.08Å; V34-L38 PolarHBondContact O-N 3.25Å; V34-V60 HydrophobicContact CG1-CG1 4.48Å; V34-L64 HydrophobicContact CG1-CD1 4.37Å; V34-L64 HydrophobicContact CG1-CD2 4.42Å; V34-P79 HydrophobicContact CG2-CB 3.63Å; V34-P79 HydrophobicContact CG2-CG 4.46Å; V34-L84 HydrophobicContact CG2-CD2 3.65Å; V34-M87 HydrophobicContact CB-SD 4.33Å; V34-M87 HydrophobicContact CG1-CE 4.39Å; V34-M87 HydrophobicContact CG2-CE 4.42Å; V34-M87 HydrophobicContact CG2-SD 3.8Å
35	Q	90.8	Very high	84.8	Confident	12 Å²	12	57 Å²	57	6%	0.056	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-54.4	179.7	-175.4	65	22	0	0	110.6	V31 D32 L33 Y37 L38 E39 L44	V31-Q35 WeakPolarHBondContact O-CB 3.46Å; V31-Q35 PolarHBondContact O-N 2.75Å; D32-Q35 PolarHBondContact O-N 2.84Å; L33-Q35 VanDerWaalsContact C-N 3.34Å; L33-Q35 PolarHBondContact O-N 3.37Å; Q35-Y37 VanDerWaalsContact C-N 3.33Å; Q35-Y37 PolarHBondContact O-N 2.67Å; Q35-L38 PolarHBondContact O-N 3.18Å; Q35-E39 PolarHBondContact NE2-OE1 3.4Å; Q35-E39 WeakPolarHBondContact O-CB 3.28Å; Q35-E39 VanDerWaalsContact O-CG 3.3Å; Q35-E39 WeakPolarHBondContact O-CG 3.43Å; Q35-E39 PolarHBondContact O-N 2.8Å; Q35-L44 VanDerWaalsContact NE2-CD2 3.35Å
36	K	92	Very high	85.2	Confident	116 Å²	116	55.2 Å²	55.2	50%	0.504	27%	0.267	S	S	.	.	H	α-helix	trans	-60.4	-41.1	179.9	-73.8	174	175.1	168	0	112.6	D32 L33 E39 K40	D32-K36 WeakPolarHBondContact O-CB 3.29Å; D32-K36 WeakPolarHBondContact O-CG 3.36Å; D32-K36 PolarHBondContact O-N 3.15Å; D32-K36 WeakPolarHBondContact OD1-CE 3.42Å; D32-K36 IonicContact OD1-NZ 3.81Å; D32-K36 PolarHBondContact OD1-NZ 2.84Å; D32-K36 VanDerWaalsContact OD2-CE 3.23Å; D32-K36 WeakPolarHBondContact OD2-CE 3.47Å; D32-K36 IonicContact OD2-NZ 3.34Å; D32-K36 PolarHBondContact OD2-NZ 2.95Å; L33-K36 PolarHBondContact O-N 3.48Å; K36-E39 PolarHBondContact O-N 3.31Å; K36-K40 VanDerWaalsContact O-CB 3.29Å; K36-K40 WeakPolarHBondContact O-CB 3.42Å; K36-K40 PolarHBondContact O-N 2.89Å
37	Y	95.4	Very high	84.8	Confident	9 Å²	9	58 Å²	58	4%	0.035	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-45.1	178.8	-168.1	-82.9	0	0	0	111.4	L33 V34 Q35 K40 Y41 Y42 M67 F71 M87 R91	L33-Y37 WeakPolarHBondContact O-CB 3.44Å; L33-Y37 PolarHBondContact O-N 2.81Å; V34-Y37 PolarHBondContact O-N 3.44Å; Q35-Y37 VanDerWaalsContact C-N 3.33Å; Q35-Y37 PolarHBondContact O-N 2.67Å; Y37-K40 PolarHBondContact O-N 2.85Å; Y37-Y41 AromaticContact CD1-CD2 3.86Å; Y37-Y41 HydrophobicContact CD1-CD2 3.86Å; Y37-Y41 AromaticContact CD2-CD2 3.6Å; Y37-Y41 HydrophobicContact CD2-CD2 3.6Å; Y37-Y41 AromaticContact CD2-CE2 3.62Å; Y37-Y41 HydrophobicContact CD2-CE2 3.62Å; Y37-Y41 AromaticContact CE1-CD2 3.83Å; Y37-Y41 HydrophobicContact CE1-CD2 3.83Å; Y37-Y41 AromaticContact CE2-CD2 3.55Å; Y37-Y41 HydrophobicContact CE2-CD2 3.55Å; Y37-Y41 AromaticContact CE2-CE2 3.6Å; Y37-Y41 HydrophobicContact CE2-CE2 3.6Å; Y37-Y41 AromaticContact CG-CD2 3.74Å; Y37-Y41 HydrophobicContact CG-CD2 3.74Å; Y37-Y41 HydrophobicContact CG-CE2 4.18Å; Y37-Y41 AromaticContact CZ-CD2 3.66Å; Y37-Y41 VanDerWaalsContact O-CD2 3.29Å; Y37-Y41 WeakPolarHBondContact O-CD2 3.23Å; Y37-Y41 PolarHBondContact O-N 3.03Å; Y37-Y42 HydrophobicContact CD1-CD2 4.33Å; Y37-Y42 HydrophobicContact CD1-CE2 4.38Å; Y37-Y42 HydrophobicContact CE1-CD2 4.15Å; Y37-Y42 AromaticContact CE1-CE2 3.75Å; Y37-Y42 HydrophobicContact CE1-CE2 3.75Å; Y37-M67 HydrophobicContact CD1-CG 4.44Å; Y37-M67 HydrophobicContact CE1-CE 3.94Å; Y37-M67 HydrophobicContact CE1-CG 3.89Å; Y37-F71 WeakPolarHBondContact OH-CZ 3.43Å; Y37-M87 HydrophobicContact CD1-CE 3.78Å; Y37-M87 HydrophobicContact CD1-CG 3.8Å; Y37-M87 HydrophobicContact CD1-SD 4.22Å; Y37-M87 HydrophobicContact CD2-CB 3.72Å; Y37-M87 HydrophobicContact CD2-CG 3.79Å; Y37-M87 HydrophobicContact CE1-CE 4.41Å; Y37-M87 HydrophobicContact CE1-CG 4.04Å; Y37-M87 HydrophobicContact CE2-CB 4.02Å; Y37-M87 HydrophobicContact CE2-CG 4.06Å; Y37-M87 HydrophobicContact CG-CB 4.07Å; Y37-M87 HydrophobicContact CG-CE 4.21Å; Y37-M87 HydrophobicContact CG-CG 3.67Å; Y37-M87 HydrophobicContact CG-SD 4.06Å; Y37-R91 PolarHBondContact OH-NH1 2.99Å
38	L	94.7	Very high	84.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-72.5	-32.5	179.7	-64.4	177.2	0	0	0	112.6	V34 Q35 Y42 N43 L44 V60 K63 L64 M67 M87	V34-L38 HydrophobicContact CG1-CD1 3.83Å; V34-L38 HydrophobicContact CG1-CG 4.38Å; V34-L38 WeakPolarHBondContact O-CB 3.17Å; V34-L38 VanDerWaalsContact O-CG 3.24Å; V34-L38 WeakPolarHBondContact O-CG 3.08Å; V34-L38 PolarHBondContact O-N 3.25Å; Q35-L38 PolarHBondContact O-N 3.18Å; L38-Y42 HydrophobicContact CD2-CD2 3.96Å; L38-Y42 HydrophobicContact CD2-CG 4.05Å; L38-Y42 CarbonylContact O-C 3.58Å; L38-Y42 VanDerWaalsContact O-C 3.23Å; L38-Y42 VanDerWaalsContact O-CA 3.27Å; L38-Y42 WeakPolarHBondContact O-CA 3.33Å; L38-Y42 WeakPolarHBondContact O-CB 3.18Å; L38-Y42 PolarHBondContact O-N 3.42Å; L38-N43 PolarHBondContact O-N 3.36Å; L38-L44 HydrophobicContact CB-CB 3.95Å; L38-L44 HydrophobicContact CB-CD2 3.78Å; L38-L44 HydrophobicContact CD1-CD2 4.45Å; L38-L44 WeakPolarHBondContact O-CB 3.45Å; L38-L44 PolarHBondContact O-N 2.72Å; L38-V60 HydrophobicContact CD1-CG1 4.04Å; L38-K63 HydrophobicContact CB-CB 4.39Å; L38-K63 HydrophobicContact CD1-CB 4.11Å; L38-K63 HydrophobicContact CD2-CB 4.12Å; L38-K63 HydrophobicContact CG-CB 4.44Å; L38-L64 HydrophobicContact CD1-CB 4.09Å; L38-L64 HydrophobicContact CD1-CD1 4.38Å; L38-L64 HydrophobicContact CD2-CD1 4.39Å; L38-M67 HydrophobicContact CD2-CB 4.05Å; L38-M87 HydrophobicContact CD2-CE 4.26Å; L38-M87 HydrophobicContact CG-CE 4.45Å
39	E	91.3	Very high	83.1	Confident	54 Å²	54	61.1 Å²	61.1	25%	0.252	31%	0.306	S	S	.	.	H	α-helix	trans	-62.4	-50.5	171.2	-73.8	179.1	-179.1	0	0	110.4	Q35 K36 L44 N46	Q35-E39 PolarHBondContact NE2-OE1 3.4Å; Q35-E39 WeakPolarHBondContact O-CB 3.28Å; Q35-E39 VanDerWaalsContact O-CG 3.3Å; Q35-E39 WeakPolarHBondContact O-CG 3.43Å; Q35-E39 PolarHBondContact O-N 2.8Å; K36-E39 PolarHBondContact O-N 3.31Å; E39-L44 HydrophobicContact CG-CB 4.13Å; E39-L44 HydrophobicContact CG-CD2 4.21Å; E39-L44 HydrophobicContact CG-CG 4.3Å; E39-N46 PolarHBondContact OE1-ND2 3.13Å
40	K	91.6	Very high	81.8	Confident	70 Å²	70	62 Å²	62	30%	0.304	31%	0.31	S	S	.	.	H	α-helix	trans	-68.9	-48	-176.2	-170.4	166	176.1	171.1	0	112.7	K36 Y37 P95 D175 N180	K36-K40 VanDerWaalsContact O-CB 3.29Å; K36-K40 WeakPolarHBondContact O-CB 3.42Å; K36-K40 PolarHBondContact O-N 2.89Å; Y37-K40 PolarHBondContact O-N 2.85Å; K40-P95 WeakPolarHBondContact O-CG 3.18Å; K40-D175 IonicContact NZ-OD2 3.52Å; K40-N180 PolarHBondContact NZ-ND2 2.97Å; K40-N180 VanDerWaalsContact NZ-ND2 3.16Å
41	Y	94.6	Very high	80.3	Confident	11 Å²	11	63.1 Å²	63.1	4%	0.043	32%	0.318	C	S	.	.	H	α-helix	trans	-107.2	-16.9	-168.4	-52.7	-64.1	0	0	0	114.9	Y37 R91 D96	Y37-Y41 AromaticContact CD1-CD2 3.86Å; Y37-Y41 HydrophobicContact CD1-CD2 3.86Å; Y37-Y41 AromaticContact CD2-CD2 3.6Å; Y37-Y41 HydrophobicContact CD2-CD2 3.6Å; Y37-Y41 AromaticContact CD2-CE2 3.62Å; Y37-Y41 HydrophobicContact CD2-CE2 3.62Å; Y37-Y41 AromaticContact CE1-CD2 3.83Å; Y37-Y41 HydrophobicContact CE1-CD2 3.83Å; Y37-Y41 AromaticContact CE2-CD2 3.55Å; Y37-Y41 HydrophobicContact CE2-CD2 3.55Å; Y37-Y41 AromaticContact CE2-CE2 3.6Å; Y37-Y41 HydrophobicContact CE2-CE2 3.6Å; Y37-Y41 AromaticContact CG-CD2 3.74Å; Y37-Y41 HydrophobicContact CG-CD2 3.74Å; Y37-Y41 HydrophobicContact CG-CE2 4.18Å; Y37-Y41 AromaticContact CZ-CD2 3.66Å; Y37-Y41 VanDerWaalsContact O-CD2 3.29Å; Y37-Y41 WeakPolarHBondContact O-CD2 3.23Å; Y37-Y41 PolarHBondContact O-N 3.03Å; Y41-R91 VanDerWaalsContact CG-NH1 3.28Å; Y41-D96 PolarHBondContact O-N 3.44Å
42	Y	93.2	Very high	78.7	Confident	1 Å²	1	69.3 Å²	69.3	0%	0.004	35%	0.346	C	S	.	.	H	α-helix	trans	-120.8	10.2	-174.2	-72.9	-91.6	0	0	0	114.3	Y37 L38 L44 K63 Q66 M67 F70 F71 D96 V97	Y37-Y42 HydrophobicContact CD1-CD2 4.33Å; Y37-Y42 HydrophobicContact CD1-CE2 4.38Å; Y37-Y42 HydrophobicContact CE1-CD2 4.15Å; Y37-Y42 AromaticContact CE1-CE2 3.75Å; Y37-Y42 HydrophobicContact CE1-CE2 3.75Å; L38-Y42 HydrophobicContact CD2-CD2 3.96Å; L38-Y42 HydrophobicContact CD2-CG 4.05Å; L38-Y42 CarbonylContact O-C 3.58Å; L38-Y42 VanDerWaalsContact O-C 3.23Å; L38-Y42 VanDerWaalsContact O-CA 3.27Å; L38-Y42 WeakPolarHBondContact O-CA 3.33Å; L38-Y42 WeakPolarHBondContact O-CB 3.18Å; L38-Y42 PolarHBondContact O-N 3.42Å; Y42-L44 PolarHBondContact O-N 2.97Å; Y42-K63 VanDerWaalsContact O-CD 3.26Å; Y42-K63 WeakPolarHBondContact O-CD 3.47Å; Y42-K63 WeakPolarHBondContact O-CE 3.12Å; Y42-K63 PolarHBondContact O-NZ 2.92Å; Y42-Q66 HydrophobicContact CD1-CB 4.06Å; Y42-Q66 HydrophobicContact CE1-CB 4.29Å; Y42-M67 HydrophobicContact CD1-CB 4.16Å; Y42-M67 HydrophobicContact CD2-CB 4.02Å; Y42-M67 HydrophobicContact CD2-CG 4.18Å; Y42-M67 HydrophobicContact CE1-CB 3.77Å; Y42-M67 HydrophobicContact CE1-CG 4.43Å; Y42-M67 HydrophobicContact CE2-CB 3.63Å; Y42-M67 HydrophobicContact CE2-CG 3.51Å; Y42-M67 HydrophobicContact CG-CB 4.28Å; Y42-M67 VanDerWaalsContact CZ-CB 3.48Å; Y42-M67 WeakPolarHBondContact OH-CA 3.41Å; Y42-F70 HydrophobicContact CE1-CB 4.48Å; Y42-F70 WeakPolarHBondContact OH-CB 3.08Å; Y42-F71 WeakPolarHBondContact OH-CE2 3.36Å; Y42-D96 HydrophobicContact CE1-CB 4.17Å; Y42-D96 HydrophobicContact CE2-CB 4.16Å; Y42-D96 VanDerWaalsContact CE2-OD2 3.27Å; Y42-D96 WeakPolarHBondContact CE2-OD2 3.47Å; Y42-D96 PolarHBondContact OH-OD2 2.96Å; Y42-D96 VanDerWaalsContact OH-OD2 3.11Å; Y42-V97 HydrophobicContact CD1-CG1 3.96Å; Y42-V97 HydrophobicContact CD1-CG2 4.22Å; Y42-V97 HydrophobicContact CE1-CG1 4.06Å
43	N	88.5	Confident	76.9	Confident	46 Å²	46	74.9 Å²	74.9	25%	0.246	37%	0.367	C	S	.	.			trans	53.7	44.3	178.6	-175.5	13.6	0	0	0	111.6	L38 K45 Q99	L38-N43 PolarHBondContact O-N 3.36Å; N43-K45 PolarHBondContact O-N 3.41Å; N43-Q99 PolarHBondContact ND2-NE2 3.35Å; N43-Q99 PolarHBondContact ND2-OE1 2.95Å; N43-Q99 PolarHBondContact OD1-NE2 2.93Å; N43-Q99 PolarHBondContact OD1-OE1 3.33Å
44	L	89	Confident	75.1	Confident	12 Å²	12	74 Å²	74	6%	0.063	36%	0.362	C	S	.	.			trans	-72.7	121.1	166.5	-179.7	65.6	0	0	0	108	Q35 L38 E39 Y42 P59 V60 K63	Q35-L44 VanDerWaalsContact NE2-CD2 3.35Å; L38-L44 HydrophobicContact CB-CB 3.95Å; L38-L44 HydrophobicContact CB-CD2 3.78Å; L38-L44 HydrophobicContact CD1-CD2 4.45Å; L38-L44 WeakPolarHBondContact O-CB 3.45Å; L38-L44 PolarHBondContact O-N 2.72Å; E39-L44 HydrophobicContact CG-CB 4.13Å; E39-L44 HydrophobicContact CG-CD2 4.21Å; E39-L44 HydrophobicContact CG-CG 4.3Å; Y42-L44 PolarHBondContact O-N 2.97Å; L44-P59 HydrophobicContact CD1-CB 3.83Å; L44-V60 HydrophobicContact CD1-CG2 4.23Å; L44-V60 HydrophobicContact CD2-CG2 3.76Å; L44-K63 HydrophobicContact CB-CG 4.32Å; L44-K63 HydrophobicContact CD1-CG 4.11Å
45	K	83.3	Confident	72.9	Confident	155 Å²	155	79.7 Å²	79.7	67%	0.674	38%	0.382	S	S	*	.			trans	-75.8	133.4	178.1	-64.4	-174.7	178.6	-176.1	0	110.2	N43 D47	N43-K45 PolarHBondContact O-N 3.41Å; K45-D47 PolarHBondContact O-N 3.02Å
46	N	66.3	Low	71.1	Confident	104 Å²	104	86.4 Å²	86.4	56%	0.556	42%	0.419	S	S	*	.			trans	-86.3	104.5	176.3	-163.9	-22	0	0	0	109.9	E39 G48	E39-N46 PolarHBondContact OE1-ND2 3.13Å; N46-G48 VanDerWaalsContact C-N 3.26Å; N46-G48 PolarHBondContact O-N 3.09Å; N46-G48 PolarHBondContact OD1-N 3.14Å
47	D	55.3	Low	69.8	Low	117 Å²	117	82.2 Å²	82.2	63%	0.626	40%	0.404	S	S	*	.			trans	-84.5	11.1	-179.7	-79.7	-10.1	0	0	0	113.4	K45 R49	K45-D47 PolarHBondContact O-N 3.02Å; D47-R49 PolarHBondContact O-N 3.36Å; D47-R49 VanDerWaalsContact O-N 3.14Å
48	G	52.2	Low	68.9	Low	72 Å²	72	84.1 Å²	84.1	74%	0.742	43%	0.426	S	S	*	.	S	Bend	trans	65	17.2	176.4	0	0	0	0	0	115.2	N46	N46-G48 VanDerWaalsContact C-N 3.26Å; N46-G48 PolarHBondContact O-N 3.09Å; N46-G48 PolarHBondContact OD1-N 3.14Å
49	R	49.7	Very low	68.5	Low	194 Å²	194	87.7 Å²	87.7	73%	0.732	45%	0.449	S	S	*	.			trans	-96.8	144	177.3	-71.2	-179.4	175.9	175.8	0.7	110.8	D47 V51	D47-R49 PolarHBondContact O-N 3.36Å; D47-R49 VanDerWaalsContact O-N 3.14Å; R49-V51 PolarHBondContact O-N 2.94Å
50	Q	50.7	Low	68.4	Low	152 Å²	152	85.7 Å²	85.7	71%	0.71	44%	0.441	S	S	*	.			trans	-51.7	133.2	-178	-70.8	-174	-24.1	0	0	113.6	E52 K53	Q50-E52 VanDerWaalsContact C-N 3.28Å; Q50-E52 PolarHBondContact O-N 3.22Å; Q50-K53 PolarHBondContact O-N 3.37Å
51	V	52.5	Low	68.4	Low	63 Å²	63	84.1 Å²	84.1	38%	0.382	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-53.7	-34.5	-173.7	175.6	0	0	0	0	113.5	V31 R49 K53 Q54	V31-V51 HydrophobicContact CG1-CG1 3.55Å; R49-V51 PolarHBondContact O-N 2.94Å; V51-K53 VanDerWaalsContact C-N 3.29Å; V51-K53 PolarHBondContact O-N 3.33Å; V51-Q54 PolarHBondContact O-N 3.34Å; V51-Q54 VanDerWaalsContact O-N 3.16Å
52	E	49.9	Very low	68.3	Low	153 Å²	153	88.1 Å²	88.1	72%	0.715	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-65.4	-26.6	-178.8	-70.2	-173.6	148.2	0	0	114.1	Q50 Q54	Q50-E52 VanDerWaalsContact C-N 3.28Å; Q50-E52 PolarHBondContact O-N 3.22Å; E52-Q54 VanDerWaalsContact C-N 3.33Å
53	K	48.3	Very low	68.3	Low	181 Å²	181	90 Å²	90	79%	0.787	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-82.9	-6.1	178.1	-78.9	-178.4	178.6	173.8	0	113.6	Q50 V51	Q50-K53 PolarHBondContact O-N 3.37Å; V51-K53 VanDerWaalsContact C-N 3.29Å; V51-K53 PolarHBondContact O-N 3.33Å
54	Q	54.3	Low	68.7	Low	24 Å²	24	88 Å²	88	11%	0.112	45%	0.453	C	S	.	.			trans	-93.7	-13	-171.7	-87.2	174.2	-26.5	0	0	115.7	V51 E52 N56 S57 V60	V51-Q54 PolarHBondContact O-N 3.34Å; V51-Q54 VanDerWaalsContact O-N 3.16Å; E52-Q54 VanDerWaalsContact C-N 3.33Å; Q54-N56 PolarHBondContact O-N 2.89Å; Q54-S57 WeakPolarHBondContact O-CB 3.02Å; Q54-S57 PolarHBondContact O-N 2.84Å; Q54-S57 PolarHBondContact O-OG 3.12Å; Q54-V60 HydrophobicContact CB-CG2 4.35Å
55	R	48.1	Very low	69	Low	127 Å²	127	90.5 Å²	90.5	48%	0.479	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-26.7	176.8	-93.2	-174.5	170.8	176.7	2.2	113.9	Q27 V31	Q27-R55 PolarHBondContact O-NH2 2.99Å; Q27-R55 VanDerWaalsContact OE1-NH1 3.16Å; V31-R55 HydrophobicContact CG2-CG 3.96Å
56	N	53	Low	69.5	Low	154 Å²	154	87 Å²	87	82%	0.824	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	21.6	176.6	-75.4	-18.7	0	0	0	112.9	Q54	Q54-N56 PolarHBondContact O-N 2.89Å
57	S	63.7	Low	71	Confident	27 Å²	27	82 Å²	82	19%	0.189	42%	0.423	C	S	.	.			trans	-74.7	132.5	175.2	68.4	0	0	0	0	109.7	Q54 P59 V60 V61	Q54-S57 WeakPolarHBondContact O-CB 3.02Å; Q54-S57 PolarHBondContact O-N 2.84Å; Q54-S57 PolarHBondContact O-OG 3.12Å; S57-P59 VanDerWaalsContact C-CD 3.42Å; S57-P59 VanDerWaalsContact C-N 3.28Å; S57-V60 PolarHBondContact O-N 3.27Å; S57-V60 WeakPolarHBondContact OG-CB 3.32Å; S57-V60 WeakPolarHBondContact OG-CG2 3.47Å; S57-V61 PolarHBondContact O-N 3.29Å
58	G	76.9	Confident	73	Confident	49 Å²	49	76.4 Å²	76.4	51%	0.505	39%	0.393	S	S	.	.	H	α-helix	trans	-47.5	-44.9	178.1	0	0	0	0	0	113.7	V61 E62	G58-V61 PolarHBondContact O-N 2.92Å; G58-E62 WeakPolarHBondContact O-CG 3.25Å; G58-E62 PolarHBondContact O-N 2.7Å; G58-E62 VanDerWaalsContact O-N 3.17Å
59	P	86.1	Confident	75	Confident	76 Å²	76	79.6 Å²	79.6	49%	0.494	39%	0.389	S	S	.	.	H	α-helix	trans	-63.2	-43.4	-179.7	-25.7	36.1	0	0	0	114.8	L44 S57 E62 K63	L44-P59 HydrophobicContact CD1-CB 3.83Å; S57-P59 VanDerWaalsContact C-CD 3.42Å; S57-P59 VanDerWaalsContact C-N 3.28Å; P59-E62 PolarHBondContact O-N 3.47Å; P59-K63 WeakPolarHBondContact O-CG 3.24Å; P59-K63 PolarHBondContact O-N 2.95Å
60	V	89.3	Confident	77.2	Confident	12 Å²	12	71.6 Å²	71.6	7%	0.073	36%	0.36	C	S	.	.	H	α-helix	trans	-63	-45.6	179.2	170.4	0	0	0	0	110.5	V34 L38 L44 Q54 S57 E62 K63 L64	V34-V60 HydrophobicContact CG1-CG1 4.48Å; L38-V60 HydrophobicContact CD1-CG1 4.04Å; L44-V60 HydrophobicContact CD1-CG2 4.23Å; L44-V60 HydrophobicContact CD2-CG2 3.76Å; Q54-V60 HydrophobicContact CB-CG2 4.35Å; S57-V60 PolarHBondContact O-N 3.27Å; S57-V60 WeakPolarHBondContact OG-CB 3.32Å; S57-V60 WeakPolarHBondContact OG-CG2 3.47Å; V60-E62 VanDerWaalsContact C-N 3.34Å; V60-E62 PolarHBondContact O-N 3.37Å; V60-K63 PolarHBondContact O-N 2.82Å; V60-L64 VanDerWaalsContact O-CB 3.26Å; V60-L64 WeakPolarHBondContact O-CB 3.3Å; V60-L64 PolarHBondContact O-N 3.27Å
61	V	91.4	Very high	79.3	Confident	37 Å²	37	65 Å²	65	22%	0.224	33%	0.328	C	S	.	.	H	α-helix	trans	-60.7	-43.8	-179.5	174	0	0	0	0	111.1	S57 G58 L64 K65	S57-V61 PolarHBondContact O-N 3.29Å; G58-V61 PolarHBondContact O-N 2.92Å; V61-L64 PolarHBondContact O-N 3.44Å; V61-K65 WeakPolarHBondContact O-CG 3.25Å; V61-K65 PolarHBondContact O-N 3.3Å
62	E	92.3	Very high	81.2	Confident	94 Å²	94	63.9 Å²	63.9	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-69.1	-40.4	179.3	-66.6	-53.4	122.7	0	0	112.5	G58 P59 V60 L64 K65 Q66	G58-E62 WeakPolarHBondContact O-CG 3.25Å; G58-E62 PolarHBondContact O-N 2.7Å; G58-E62 VanDerWaalsContact O-N 3.17Å; P59-E62 PolarHBondContact O-N 3.47Å; V60-E62 VanDerWaalsContact C-N 3.34Å; V60-E62 PolarHBondContact O-N 3.37Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 2.85Å; E62-K65 PolarHBondContact O-N 2.81Å; E62-K65 IonicContact OE1-NZ 2.76Å; E62-K65 PolarHBondContact OE1-NZ 2.94Å; E62-K65 IonicContact OE2-NZ 2.82Å; E62-Q66 WeakPolarHBondContact O-CG 3.46Å; E62-Q66 PolarHBondContact O-N 3.27Å
63	K	94	Very high	83.4	Confident	41 Å²	41	56.6 Å²	56.6	18%	0.178	30%	0.296	C	S	.	.	H	α-helix	trans	-67.1	-34.8	174.6	-68.4	-51.1	-168.3	161	0	112.6	L38 Y42 L44 P59 V60 Q66 M67	L38-K63 HydrophobicContact CB-CB 4.39Å; L38-K63 HydrophobicContact CD1-CB 4.11Å; L38-K63 HydrophobicContact CD2-CB 4.12Å; L38-K63 HydrophobicContact CG-CB 4.44Å; Y42-K63 VanDerWaalsContact O-CD 3.26Å; Y42-K63 WeakPolarHBondContact O-CD 3.47Å; Y42-K63 WeakPolarHBondContact O-CE 3.12Å; Y42-K63 PolarHBondContact O-NZ 2.92Å; L44-K63 HydrophobicContact CB-CG 4.32Å; L44-K63 HydrophobicContact CD1-CG 4.11Å; P59-K63 WeakPolarHBondContact O-CG 3.24Å; P59-K63 PolarHBondContact O-N 2.95Å; V60-K63 PolarHBondContact O-N 2.82Å; K63-Q66 VanDerWaalsContact CD-OE1 3.32Å; K63-Q66 WeakPolarHBondContact O-CB 3.32Å; K63-Q66 PolarHBondContact O-N 2.84Å; K63-M67 PolarHBondContact O-N 2.98Å
64	L	95.6	Very high	85.5	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-36	174.4	-166.3	55.9	0	0	0	112.2	V34 L38 V60 V61 E62 M67 Q68 P79 T83 M87	V34-L64 HydrophobicContact CG1-CD1 4.37Å; V34-L64 HydrophobicContact CG1-CD2 4.42Å; L38-L64 HydrophobicContact CD1-CB 4.09Å; L38-L64 HydrophobicContact CD1-CD1 4.38Å; L38-L64 HydrophobicContact CD2-CD1 4.39Å; V60-L64 VanDerWaalsContact O-CB 3.26Å; V60-L64 WeakPolarHBondContact O-CB 3.3Å; V60-L64 PolarHBondContact O-N 3.27Å; V61-L64 PolarHBondContact O-N 3.44Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 2.85Å; L64-M67 PolarHBondContact O-N 3.36Å; L64-Q68 WeakPolarHBondContact O-CB 3.28Å; L64-Q68 VanDerWaalsContact O-CG 3.29Å; L64-Q68 WeakPolarHBondContact O-CG 3.27Å; L64-Q68 PolarHBondContact O-N 3.31Å; L64-P79 HydrophobicContact CD2-CB 4.27Å; L64-T83 HydrophobicContact CD1-CG2 3.77Å; L64-M87 HydrophobicContact CD1-CE 3.4Å; L64-M87 VanDerWaalsContact CD1-CE 3.4Å
65	K	95.6	Very high	87.5	Confident	66 Å²	66	54.7 Å²	54.7	29%	0.287	29%	0.291	S	S	.	.	H	α-helix	trans	-63.3	-44.2	171.4	-72.5	174.1	-175.4	166.9	0	111.9	V61 E62 M67 Q68 E69 V75	V61-K65 WeakPolarHBondContact O-CG 3.25Å; V61-K65 PolarHBondContact O-N 3.3Å; E62-K65 PolarHBondContact O-N 2.81Å; E62-K65 IonicContact OE1-NZ 2.76Å; E62-K65 PolarHBondContact OE1-NZ 2.94Å; E62-K65 IonicContact OE2-NZ 2.82Å; K65-M67 VanDerWaalsContact C-N 3.3Å; K65-M67 PolarHBondContact O-N 3.19Å; K65-Q68 PolarHBondContact O-N 3.02Å; K65-E69 WeakPolarHBondContact O-CB 3.41Å; K65-E69 PolarHBondContact O-N 3.34Å; K65-V75 HydrophobicContact CB-CG1 3.71Å; K65-V75 HydrophobicContact CD-CG1 4.31Å; K65-V75 HydrophobicContact CG-CG1 3.69Å
66	Q	95.4	Very high	89.6	Confident	80 Å²	80	51 Å²	51	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-58.9	-42.7	175.2	-71.8	174.4	14.1	0	0	111.4	Y42 E62 K63 E69 F70	Y42-Q66 HydrophobicContact CD1-CB 4.06Å; Y42-Q66 HydrophobicContact CE1-CB 4.29Å; E62-Q66 WeakPolarHBondContact O-CG 3.46Å; E62-Q66 PolarHBondContact O-N 3.27Å; K63-Q66 VanDerWaalsContact CD-OE1 3.32Å; K63-Q66 WeakPolarHBondContact O-CB 3.32Å; K63-Q66 PolarHBondContact O-N 2.84Å; Q66-E69 PolarHBondContact O-N 3.47Å; Q66-F70 WeakPolarHBondContact O-CB 3.39Å; Q66-F70 PolarHBondContact O-N 2.8Å
67	M	96.8	Very high	91.5	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-48.9	174.9	-177.3	-83.5	-179.2	0	0	112.3	Y37 L38 Y42 K63 L64 K65 E69 F70 F71 L73 T83 V86 M87	Y37-M67 HydrophobicContact CD1-CG 4.44Å; Y37-M67 HydrophobicContact CE1-CE 3.94Å; Y37-M67 HydrophobicContact CE1-CG 3.89Å; L38-M67 HydrophobicContact CD2-CB 4.05Å; Y42-M67 HydrophobicContact CD1-CB 4.16Å; Y42-M67 HydrophobicContact CD2-CB 4.02Å; Y42-M67 HydrophobicContact CD2-CG 4.18Å; Y42-M67 HydrophobicContact CE1-CB 3.77Å; Y42-M67 HydrophobicContact CE1-CG 4.43Å; Y42-M67 HydrophobicContact CE2-CB 3.63Å; Y42-M67 HydrophobicContact CE2-CG 3.51Å; Y42-M67 HydrophobicContact CG-CB 4.28Å; Y42-M67 VanDerWaalsContact CZ-CB 3.48Å; Y42-M67 WeakPolarHBondContact OH-CA 3.41Å; K63-M67 PolarHBondContact O-N 2.98Å; L64-M67 PolarHBondContact O-N 3.36Å; K65-M67 VanDerWaalsContact C-N 3.3Å; K65-M67 PolarHBondContact O-N 3.19Å; M67-E69 VanDerWaalsContact C-N 3.27Å; M67-E69 PolarHBondContact O-N 2.88Å; M67-F70 WeakPolarHBondContact O-CB 3.38Å; M67-F70 PolarHBondContact O-N 3.5Å; M67-F71 HydrophobicContact CE-CD2 3.64Å; M67-F71 HydrophobicContact CE-CE2 3.93Å; M67-F71 HydrophobicContact CE-CG 4.25Å; M67-F71 HydrophobicContact CG-CD2 4Å; M67-F71 HydrophobicContact CG-CE2 4.23Å; M67-F71 WeakPolarHBondContact O-CD2 3.38Å; M67-F71 PolarHBondContact O-N 2.86Å; M67-F71 HydrophobicContact SD-CD2 4.02Å; M67-L73 HydrophobicContact SD-CD1 4.42Å; M67-T83 HydrophobicContact SD-CG2 4.14Å; M67-V86 HydrophobicContact CE-CB 4.07Å; M67-V86 HydrophobicContact CE-CG1 3.54Å; M67-M87 HydrophobicContact CE-CE 4.1Å; M67-M87 HydrophobicContact CE-CG 3.67Å; M67-M87 HydrophobicContact CG-CE 4.23Å; M67-M87 HydrophobicContact SD-CE 4.01Å
68	Q	96.7	Very high	92.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-38.8	178	-75	172.6	-26.2	0	0	112.2	L64 K65 G72 L73 K74 V75 T76 K78 T83	L64-Q68 WeakPolarHBondContact O-CB 3.28Å; L64-Q68 VanDerWaalsContact O-CG 3.29Å; L64-Q68 WeakPolarHBondContact O-CG 3.27Å; L64-Q68 PolarHBondContact O-N 3.31Å; K65-Q68 PolarHBondContact O-N 3.02Å; Q68-G72 PolarHBondContact O-N 2.78Å; Q68-G72 VanDerWaalsContact O-N 3.15Å; Q68-L73 HydrophobicContact CB-CB 3.99Å; Q68-L73 HydrophobicContact CG-CB 4.12Å; Q68-L73 HydrophobicContact CG-CD1 4.17Å; Q68-L73 PolarHBondContact O-N 3.32Å; Q68-K74 PolarHBondContact OE1-O 3.15Å; Q68-V75 HydrophobicContact CB-CG2 4.32Å; Q68-T76 PolarHBondContact NE2-OG1 3.05Å; Q68-K78 PolarHBondContact NE2-O 3.35Å; Q68-T83 HydrophobicContact CG-CG2 4.4Å; Q68-T83 PolarHBondContact NE2-OG1 3.44Å
69	E	95	Very high	93.6	Very high	138 Å²	138	50.3 Å²	50.3	65%	0.645	26%	0.264	S	S	*	.	H	α-helix	trans	-66.1	-44.4	176	-174.1	159.4	-155.3	0	0	112	K65 Q66 M67 F71 G72 V75	K65-E69 WeakPolarHBondContact O-CB 3.41Å; K65-E69 PolarHBondContact O-N 3.34Å; Q66-E69 PolarHBondContact O-N 3.47Å; M67-E69 VanDerWaalsContact C-N 3.27Å; M67-E69 PolarHBondContact O-N 2.88Å; E69-F71 VanDerWaalsContact C-N 3.32Å; E69-F71 PolarHBondContact O-N 3.31Å; E69-G72 PolarHBondContact O-N 2.94Å; E69-V75 HydrophobicContact CB-CG2 4Å
70	F	95.3	Very high	93.9	Very high	27 Å²	27	48.1 Å²	48.1	12%	0.118	25%	0.248	C	C	.	.	H	α-helix	trans	-57.5	-43.8	176.8	-172.1	-79	0	0	0	112.3	Y42 Q66 M67 G72 D96 H228 S229 T230 P238	Y42-F70 HydrophobicContact CE1-CB 4.48Å; Y42-F70 WeakPolarHBondContact OH-CB 3.08Å; Q66-F70 WeakPolarHBondContact O-CB 3.39Å; Q66-F70 PolarHBondContact O-N 2.8Å; M67-F70 WeakPolarHBondContact O-CB 3.38Å; M67-F70 PolarHBondContact O-N 3.5Å; F70-G72 VanDerWaalsContact C-N 3.34Å; F70-D96 HydrophobicContact CD2-CB 4.12Å; F70-D96 HydrophobicContact CE2-CB 3.99Å; F70-D96 HydrophobicContact CG-CB 4.46Å; F70-D96 HydrophobicContact CZ-CB 4.23Å; F70-H228 HydrophobicContact CE2-CB 4.49Å; F70-H228 HydrophobicContact CZ-CB 3.89Å; F70-S229 WeakPolarHBondContact CZ-O 3.29Å; F70-T230 HydrophobicContact CD1-CG2 4.28Å; F70-T230 HydrophobicContact CD2-CG2 3.63Å; F70-T230 HydrophobicContact CE1-CG2 4.26Å; F70-T230 HydrophobicContact CE2-CG2 3.64Å; F70-T230 HydrophobicContact CG-CG2 3.95Å; F70-T230 HydrophobicContact CZ-CG2 3.95Å; F70-P238 HydrophobicContact CD1-CG 4.47Å; F70-P238 HydrophobicContact CE1-CG 3.42Å; F70-P238 VanDerWaalsContact CE1-CG 3.42Å; F70-P238 HydrophobicContact CZ-CG 3.86Å
71	F	95.3	Very high	94	Very high	13 Å²	13	50.8 Å²	50.8	6%	0.057	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	6.8	-178.2	-75	-85.1	0	0	0	114	Y37 Y42 M67 E69 L73 V86 Y237 P238	Y37-F71 WeakPolarHBondContact OH-CZ 3.43Å; Y42-F71 WeakPolarHBondContact OH-CE2 3.36Å; M67-F71 HydrophobicContact CE-CD2 3.64Å; M67-F71 HydrophobicContact CE-CE2 3.93Å; M67-F71 HydrophobicContact CE-CG 4.25Å; M67-F71 HydrophobicContact CG-CD2 4Å; M67-F71 HydrophobicContact CG-CE2 4.23Å; M67-F71 WeakPolarHBondContact O-CD2 3.38Å; M67-F71 PolarHBondContact O-N 2.86Å; M67-F71 HydrophobicContact SD-CD2 4.02Å; E69-F71 VanDerWaalsContact C-N 3.32Å; E69-F71 PolarHBondContact O-N 3.31Å; F71-L73 HydrophobicContact CB-CD1 4.27Å; F71-L73 HydrophobicContact CB-CG 4.2Å; F71-L73 PolarHBondContact O-N 2.9Å; F71-V86 HydrophobicContact CB-CG1 4.27Å; F71-V86 HydrophobicContact CD1-CG1 3.39Å; F71-V86 HydrophobicContact CD2-CG1 4.15Å; F71-V86 HydrophobicContact CE1-CG1 3.68Å; F71-V86 HydrophobicContact CE2-CG1 4.38Å; F71-V86 HydrophobicContact CG-CG1 3.68Å; F71-V86 HydrophobicContact CZ-CG1 4.17Å; F71-Y237 AromaticContact CD1-CZ 3.94Å; F71-Y237 WeakPolarHBondContact CD1-OH 3.37Å; F71-Y237 HydrophobicContact CE1-CE1 4.35Å; F71-Y237 AromaticContact CE1-CZ 3.94Å; F71-P238 HydrophobicContact CE1-CG 4.46Å; F71-P238 HydrophobicContact CZ-CG 4.11Å
72	G	92.9	Very high	94.1	Very high	40 Å²	40	49.8 Å²	49.8	41%	0.412	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	16	179	0	0	0	0	0	115	Q68 E69 F70 Y309	Q68-G72 PolarHBondContact O-N 2.78Å; Q68-G72 VanDerWaalsContact O-N 3.15Å; E69-G72 PolarHBondContact O-N 2.94Å; F70-G72 VanDerWaalsContact C-N 3.34Å; G72-Y309 WeakPolarHBondContact O-CD1 3.27Å
73	L	94.5	Very high	94.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-73.4	166.1	176.8	-62.8	171.7	0	0	0	111	M67 Q68 F71 V75 E82 V86 Y309 Q310	M67-L73 HydrophobicContact SD-CD1 4.42Å; Q68-L73 HydrophobicContact CB-CB 3.99Å; Q68-L73 HydrophobicContact CG-CB 4.12Å; Q68-L73 HydrophobicContact CG-CD1 4.17Å; Q68-L73 PolarHBondContact O-N 3.32Å; F71-L73 HydrophobicContact CB-CD1 4.27Å; F71-L73 HydrophobicContact CB-CG 4.2Å; F71-L73 PolarHBondContact O-N 2.9Å; L73-V75 PolarHBondContact O-N 3.37Å; L73-V75 VanDerWaalsContact O-N 3.16Å; L73-E82 HydrophobicContact CD2-CB 4.34Å; L73-E82 HydrophobicContact CD2-CG 3.85Å; L73-V86 HydrophobicContact CD1-CG2 4.3Å; L73-V86 HydrophobicContact CD2-CG2 4.45Å; L73-Y309 HydrophobicContact CD2-CD1 4.26Å; L73-Y309 HydrophobicContact CD2-CE1 3.72Å; L73-Y309 HydrophobicContact CD2-CE2 4.25Å; L73-Q310 PolarHBondContact O-NE2 3.12Å
74	K	93.5	Very high	94.3	Very high	111 Å²	111	44.1 Å²	44.1	48%	0.483	24%	0.239	S	C	.	.			trans	-64.7	116.8	168.6	-170.8	179.2	-178.3	175.4	0	109.4	Q68 T76 F308	Q68-K74 PolarHBondContact OE1-O 3.15Å; K74-T76 HydrophobicContact CB-CG2 4.35Å; K74-T76 HydrophobicContact CD-CG2 4.07Å; K74-T76 HydrophobicContact CG-CG2 3.88Å; K74-T76 PolarHBondContact O-N 2.93Å; K74-F308 WeakPolarHBondContact CB-O 3.34Å; K74-F308 PolarHBondContact N-O 3.41Å
75	V	95.3	Very high	94.3	Very high	53 Å²	53	48.3 Å²	48.3	32%	0.321	26%	0.257	S	S	.	.			trans	-72.7	97.5	-179.2	-177.8	0	0	0	0	109.4	K65 Q68 E69 L73	K65-V75 HydrophobicContact CB-CG1 3.71Å; K65-V75 HydrophobicContact CD-CG1 4.31Å; K65-V75 HydrophobicContact CG-CG1 3.69Å; Q68-V75 HydrophobicContact CB-CG2 4.32Å; E69-V75 HydrophobicContact CB-CG2 4Å; L73-V75 PolarHBondContact O-N 3.37Å; L73-V75 VanDerWaalsContact O-N 3.16Å
76	T	93.9	Very high	94.3	Very high	51 Å²	51	45.4 Å²	45.4	31%	0.313	25%	0.245	S	C	.	.			trans	-116.3	-22.2	-178.7	63.3	0	0	0	0	112.8	Q68 K74 K78	Q68-T76 PolarHBondContact NE2-OG1 3.05Å; K74-T76 HydrophobicContact CB-CG2 4.35Å; K74-T76 HydrophobicContact CD-CG2 4.07Å; K74-T76 HydrophobicContact CG-CG2 3.88Å; K74-T76 PolarHBondContact O-N 2.93Å; T76-K78 PolarHBondContact O-N 3.46Å; T76-K78 PolarHBondContact OG1-N 3.25Å; T76-K78 VanDerWaalsContact OG1-N 3.17Å; T76-K78 PolarHBondContact OG1-O 2.94Å
77	G	92.9	Very high	94.3	Very high	7 Å²	7	42 Å²	42	7%	0.072	23%	0.229	C	C	.	.	S	Bend	trans	65.5	20.1	-169.3	0	0	0	0	0	113.1
78	K	92.3	Very high	94.3	Very high	145 Å²	145	47.9 Å²	47.9	63%	0.63	25%	0.254	S	S	*	.	S	Bend	trans	-122	142.6	177.8	-63.2	-177.8	-179.4	-178.1	0	110.1	Q68 T76 D80	Q68-K78 PolarHBondContact NE2-O 3.35Å; T76-K78 PolarHBondContact O-N 3.46Å; T76-K78 PolarHBondContact OG1-N 3.25Å; T76-K78 VanDerWaalsContact OG1-N 3.17Å; T76-K78 PolarHBondContact OG1-O 2.94Å; K78-D80 VanDerWaalsContact C-N 3.26Å; K78-D80 PolarHBondContact O-N 3.22Å
79	P	92.6	Very high	94.3	Very high	63 Å²	63	50.1 Å²	50.1	41%	0.409	27%	0.265	S	S	.	.			trans	-80.1	75.3	179.8	33.3	-35.3	0	0	0	110.4	V34 L64 L84	V34-P79 HydrophobicContact CG2-CB 3.63Å; V34-P79 HydrophobicContact CG2-CG 4.46Å; L64-P79 HydrophobicContact CD2-CB 4.27Å; P79-L84 HydrophobicContact CB-CD2 4.12Å; P79-L84 HydrophobicContact CB-CG 4.31Å
80	D	91.5	Very high	94.4	Very high	30 Å²	30	44.8 Å²	44.8	16%	0.16	24%	0.242	C	C	.	.			trans	-70.1	168.2	173.1	58.6	46.6	0	0	0	112.1	K78 E82 T83 L84 F308	K78-D80 VanDerWaalsContact C-N 3.26Å; K78-D80 PolarHBondContact O-N 3.22Å; D80-E82 VanDerWaalsContact C-N 3.25Å; D80-E82 PolarHBondContact O-N 3.49Å; D80-E82 PolarHBondContact OD1-N 3.49Å; D80-T83 VanDerWaalsContact CG-OG1 3.31Å; D80-T83 WeakPolarHBondContact O-CB 3.44Å; D80-T83 PolarHBondContact O-N 2.84Å; D80-T83 VanDerWaalsContact O-N 3.12Å; D80-T83 VanDerWaalsContact OD1-CB 3.31Å; D80-T83 WeakPolarHBondContact OD1-CB 3.39Å; D80-T83 PolarHBondContact OD1-N 3.22Å; D80-T83 PolarHBondContact OD1-OG1 3.37Å; D80-L84 WeakPolarHBondContact O-CG 3.29Å; D80-L84 PolarHBondContact O-N 3.11Å; D80-F308 HydrophobicContact CB-CD1 4.19Å; D80-F308 HydrophobicContact CB-CE1 4.11Å
81	A	92.4	Very high	94.6	Very high	68 Å²	68	43.6 Å²	43.6	56%	0.562	24%	0.237	S	C	*	.	H	α-helix	trans	-58.1	-36.3	-173	0	0	0	0	0	113.2	K85	A81-K85 WeakPolarHBondContact O-CB 3.33Å; A81-K85 PolarHBondContact O-N 3.2Å
82	E	92.6	Very high	94.7	Very high	16 Å²	16	43.1 Å²	43.1	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-75.3	-38.2	178.1	-161.6	64.1	-143.3	0	0	111.2	L73 D80 L84 K85 V86 F308 Y309	L73-E82 HydrophobicContact CD2-CB 4.34Å; L73-E82 HydrophobicContact CD2-CG 3.85Å; D80-E82 VanDerWaalsContact C-N 3.25Å; D80-E82 PolarHBondContact O-N 3.49Å; D80-E82 PolarHBondContact OD1-N 3.49Å; E82-L84 VanDerWaalsContact C-N 3.33Å; E82-L84 PolarHBondContact O-N 3.4Å; E82-K85 WeakPolarHBondContact O-CB 3.28Å; E82-K85 PolarHBondContact O-N 3.01Å; E82-K85 VanDerWaalsContact O-N 3.16Å; E82-K85 WeakPolarHBondContact OE1-CD 3.24Å; E82-K85 IonicContact OE1-NZ 2.74Å; E82-K85 PolarHBondContact OE1-NZ 3.39Å; E82-K85 IonicContact OE2-NZ 3.7Å; E82-V86 WeakPolarHBondContact O-CG2 3.27Å; E82-V86 PolarHBondContact O-N 3.35Å; E82-F308 HydrophobicContact CB-CB 3.61Å; E82-F308 HydrophobicContact CB-CD1 4.3Å; E82-F308 HydrophobicContact CB-CD2 4.13Å; E82-F308 HydrophobicContact CB-CG 3.77Å; E82-F308 HydrophobicContact CG-CB 4.09Å; E82-Y309 HydrophobicContact CG-CE2 3.8Å
83	T	95.1	Very high	94.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-55.6	-48.6	171.8	-58.6	0	0	0	0	111	L64 M67 Q68 D80 K85 V86 M87	L64-T83 HydrophobicContact CD1-CG2 3.77Å; M67-T83 HydrophobicContact SD-CG2 4.14Å; Q68-T83 HydrophobicContact CG-CG2 4.4Å; Q68-T83 PolarHBondContact NE2-OG1 3.44Å; D80-T83 VanDerWaalsContact CG-OG1 3.31Å; D80-T83 WeakPolarHBondContact O-CB 3.44Å; D80-T83 PolarHBondContact O-N 2.84Å; D80-T83 VanDerWaalsContact O-N 3.12Å; D80-T83 VanDerWaalsContact OD1-CB 3.31Å; D80-T83 WeakPolarHBondContact OD1-CB 3.39Å; D80-T83 PolarHBondContact OD1-N 3.22Å; D80-T83 PolarHBondContact OD1-OG1 3.37Å; T83-K85 VanDerWaalsContact C-N 3.33Å; T83-K85 PolarHBondContact O-N 3.28Å; T83-V86 PolarHBondContact O-N 3.42Å; T83-M87 HydrophobicContact CG2-CE 4.05Å; T83-M87 HydrophobicContact CG2-SD 4.45Å; T83-M87 WeakPolarHBondContact O-CG 3.18Å; T83-M87 PolarHBondContact O-N 3.04Å
84	L	95.7	Very high	94.9	Very high	15 Å²	15	41.7 Å²	41.7	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-65.1	-36.7	177.8	-67.5	169.8	0	0	0	112.2	D30 L33 V34 P79 D80 E82 M87 K88	D30-L84 HydrophobicContact CB-CD1 4.01Å; D30-L84 HydrophobicContact CB-CD2 4.02Å; L33-L84 HydrophobicContact CD2-CD2 4.13Å; V34-L84 HydrophobicContact CG2-CD2 3.65Å; P79-L84 HydrophobicContact CB-CD2 4.12Å; P79-L84 HydrophobicContact CB-CG 4.31Å; D80-L84 WeakPolarHBondContact O-CG 3.29Å; D80-L84 PolarHBondContact O-N 3.11Å; E82-L84 VanDerWaalsContact C-N 3.33Å; E82-L84 PolarHBondContact O-N 3.4Å; L84-M87 PolarHBondContact O-N 3.49Å; L84-K88 VanDerWaalsContact O-CG 3.26Å; L84-K88 WeakPolarHBondContact O-CG 3.4Å; L84-K88 PolarHBondContact O-N 3.47Å
85	K	94.3	Very high	94.9	Very high	92 Å²	92	37.3 Å²	37.3	40%	0.4	20%	0.202	S	C	.	.	H	α-helix	trans	-64.7	-41.4	175.9	175.9	175.8	158.8	-133.4	0	111.7	A81 E82 T83 K88	A81-K85 WeakPolarHBondContact O-CB 3.33Å; A81-K85 PolarHBondContact O-N 3.2Å; E82-K85 WeakPolarHBondContact O-CB 3.28Å; E82-K85 PolarHBondContact O-N 3.01Å; E82-K85 VanDerWaalsContact O-N 3.16Å; E82-K85 WeakPolarHBondContact OE1-CD 3.24Å; E82-K85 IonicContact OE1-NZ 2.74Å; E82-K85 PolarHBondContact OE1-NZ 3.39Å; E82-K85 IonicContact OE2-NZ 3.7Å; T83-K85 VanDerWaalsContact C-N 3.33Å; T83-K85 PolarHBondContact O-N 3.28Å; K85-K88 PolarHBondContact O-N 3.15Å
86	V	95.8	Very high	94.7	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.024	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-44.6	174.7	172.1	0	0	0	0	110.8	M67 F71 L73 E82 T83 K88 Q89	M67-V86 HydrophobicContact CE-CB 4.07Å; M67-V86 HydrophobicContact CE-CG1 3.54Å; F71-V86 HydrophobicContact CB-CG1 4.27Å; F71-V86 HydrophobicContact CD1-CG1 3.39Å; F71-V86 HydrophobicContact CD2-CG1 4.15Å; F71-V86 HydrophobicContact CE1-CG1 3.68Å; F71-V86 HydrophobicContact CE2-CG1 4.38Å; F71-V86 HydrophobicContact CG-CG1 3.68Å; F71-V86 HydrophobicContact CZ-CG1 4.17Å; L73-V86 HydrophobicContact CD1-CG2 4.3Å; L73-V86 HydrophobicContact CD2-CG2 4.45Å; E82-V86 WeakPolarHBondContact O-CG2 3.27Å; E82-V86 PolarHBondContact O-N 3.35Å; T83-V86 PolarHBondContact O-N 3.42Å; V86-K88 PolarHBondContact O-N 2.79Å; V86-Q89 WeakPolarHBondContact O-CB 3.44Å; V86-Q89 PolarHBondContact O-N 3.34Å
87	M	96.4	Very high	94.2	Very high	9 Å²	9	35.1 Å²	35.1	4%	0.044	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-23.6	178.3	-71.1	-179.3	170.4	0	0	114.2	L33 V34 Y37 L38 L64 M67 T83 L84	L33-M87 HydrophobicContact CD1-CB 4.42Å; L33-M87 HydrophobicContact CD2-CB 4.17Å; L33-M87 HydrophobicContact CG-CB 4.27Å; V34-M87 HydrophobicContact CB-SD 4.33Å; V34-M87 HydrophobicContact CG1-CE 4.39Å; V34-M87 HydrophobicContact CG2-CE 4.42Å; V34-M87 HydrophobicContact CG2-SD 3.8Å; Y37-M87 HydrophobicContact CD1-CE 3.78Å; Y37-M87 HydrophobicContact CD1-CG 3.8Å; Y37-M87 HydrophobicContact CD1-SD 4.22Å; Y37-M87 HydrophobicContact CD2-CB 3.72Å; Y37-M87 HydrophobicContact CD2-CG 3.79Å; Y37-M87 HydrophobicContact CE1-CE 4.41Å; Y37-M87 HydrophobicContact CE1-CG 4.04Å; Y37-M87 HydrophobicContact CE2-CB 4.02Å; Y37-M87 HydrophobicContact CE2-CG 4.06Å; Y37-M87 HydrophobicContact CG-CB 4.07Å; Y37-M87 HydrophobicContact CG-CE 4.21Å; Y37-M87 HydrophobicContact CG-CG 3.67Å; Y37-M87 HydrophobicContact CG-SD 4.06Å; L38-M87 HydrophobicContact CD2-CE 4.26Å; L38-M87 HydrophobicContact CG-CE 4.45Å; L64-M87 HydrophobicContact CD1-CE 3.4Å; L64-M87 VanDerWaalsContact CD1-CE 3.4Å; M67-M87 HydrophobicContact CE-CE 4.1Å; M67-M87 HydrophobicContact CE-CG 3.67Å; M67-M87 HydrophobicContact CG-CE 4.23Å; M67-M87 HydrophobicContact SD-CE 4.01Å; T83-M87 HydrophobicContact CG2-CE 4.05Å; T83-M87 HydrophobicContact CG2-SD 4.45Å; T83-M87 WeakPolarHBondContact O-CG 3.18Å; T83-M87 PolarHBondContact O-N 3.04Å; L84-M87 PolarHBondContact O-N 3.49Å
88	K	96	Very high	92.8	Very high	124 Å²	124	39 Å²	39	54%	0.539	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-5.6	177.6	-69.9	169.1	-172	177.3	0	113	D30 L33 L84 K85 V86	D30-K88 IonicContact OD1-NZ 2.67Å; D30-K88 PolarHBondContact OD1-NZ 3.32Å; D30-K88 VanDerWaalsContact OD1-NZ 3.11Å; L33-K88 HydrophobicContact CD2-CD 4.15Å; L33-K88 HydrophobicContact CD2-CG 3.69Å; L84-K88 VanDerWaalsContact O-CG 3.26Å; L84-K88 WeakPolarHBondContact O-CG 3.4Å; L84-K88 PolarHBondContact O-N 3.47Å; K85-K88 PolarHBondContact O-N 3.15Å; V86-K88 PolarHBondContact O-N 2.79Å
89	Q	96.5	Very high	90.8	Very high	47 Å²	47	37.7 Å²	37.7	22%	0.22	22%	0.216	C	C	.	.	S	Bend	trans	-73.5	137.2	179.8	-68.1	177.5	9.5	0	0	110.7	V86	V86-Q89 WeakPolarHBondContact O-CB 3.44Å; V86-Q89 PolarHBondContact O-N 3.34Å
90	P	98	Very high	88.8	Confident	25 Å²	25	36.7 Å²	36.7	16%	0.162	21%	0.205	C	C	.	.			trans	-61.3	139.1	172.8	27.6	-34.7	0	0	0	110	G179 L181 Y210 Y240	P90-G179 WeakPolarHBondContact CA-O 3.49Å; P90-L181 HydrophobicContact CB-CD1 4.16Å; P90-L181 HydrophobicContact CB-CD2 3.95Å; P90-L181 HydrophobicContact CB-CG 4.15Å; P90-Y210 HydrophobicContact CB-CE1 3.65Å; P90-Y210 WeakPolarHBondContact CB-OH 3.37Å; P90-Y210 HydrophobicContact CG-CE1 3.62Å; P90-Y210 WeakPolarHBondContact CG-OH 3.29Å; P90-Y240 WeakPolarHBondContact O-CB 3.19Å; P90-Y240 PolarHBondContact O-N 2.8Å
91	R	98.4	Very high	86.8	Confident	3 Å²	3	38.6 Å²	38.6	1%	0.011	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-155.8	172.1	-168.5	61.2	159.2	-67.7	163.3	10.1	113.2	Y37 Y41 V94 D96 G179 L181 H228 P238	Y37-R91 PolarHBondContact OH-NH1 2.99Å; Y41-R91 VanDerWaalsContact CG-NH1 3.28Å; R91-V94 PolarHBondContact NH2-O 3.12Å; R91-D96 IonicContact CZ-OD1 3.93Å; R91-D96 IonicContact CZ-OD2 3.5Å; R91-D96 IonicContact NH1-OD1 3.39Å; R91-D96 PolarHBondContact NH1-OD1 2.83Å; R91-D96 IonicContact NH1-OD2 3.73Å; R91-D96 PolarHBondContact NH1-OD2 3.36Å; R91-D96 IonicContact NH2-OD1 3.74Å; R91-D96 PolarHBondContact NH2-OD1 3.41Å; R91-D96 IonicContact NH2-OD2 3.88Å; R91-G179 PolarHBondContact N-O 2.84Å; R91-L181 PolarHBondContact O-N 3.45Å; R91-H228 PolarHBondContact NH2-CE1 3.47Å; R91-P238 CarbonylContact C-O 3.52Å; R91-P238 VanDerWaalsContact CA-O 3.25Å; R91-P238 WeakPolarHBondContact CA-O 3.48Å; R91-P238 VanDerWaalsContact CB-O 3.23Å; R91-P238 WeakPolarHBondContact CB-O 3.48Å; R91-P238 VanDerWaalsContact NH2-CB 3.33Å
92	C	98.3	Very high	84.8	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.02	21%	0.214	C	C	.	.			trans	-68.4	143.5	168.2	177.6	0	0	0	0	111.4	V94 H218 E219 P238	C92-V94 VanDerWaalsContact C-N 3.29Å; C92-V94 PolarHBondContact O-N 3.13Å; C92-V94 PolarHBondContact SG-N 3.02Å; C92-V94 VanDerWaalsContact SG-N 3.42Å; C92-H218 WeakPolarHBondContact CB-NE2 3.28Å; C92-E219 PolarHBondContact SG-OE1 2.92Å; C92-E219 VanDerWaalsContact SG-OE1 3.35Å; C92-E219 PolarHBondContact SG-OE2 2.96Å; C92-P238 PolarHBondContact N-O 2.9Å
93	G	96.7	Very high	82.7	Confident	5 Å²	5	41.1 Å²	41.1	5%	0.052	22%	0.223	C	C	.	.	S	Bend	trans	-74.2	-13.5	-179.7	0	0	0	0	0	115.1	N180 A182	G93-N180 VanDerWaalsContact CA-CG 3.45Å; G93-N180 WeakPolarHBondContact CA-OD1 3.45Å; G93-N180 PolarHBondContact N-OD1 3.16Å; G93-A182 PolarHBondContact N-O 3.37Å
94	V	94.6	Very high	80.4	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.03	27%	0.269	C	S	.	.	S	Bend	trans	-69.3	138.9	179	178.8	0	0	0	0	110.3	R91 C92 F100 H183 A184 H228	R91-V94 PolarHBondContact NH2-O 3.12Å; C92-V94 VanDerWaalsContact C-N 3.29Å; C92-V94 PolarHBondContact O-N 3.13Å; C92-V94 PolarHBondContact SG-N 3.02Å; C92-V94 VanDerWaalsContact SG-N 3.42Å; V94-F100 HydrophobicContact CG1-CB 4.02Å; V94-F100 HydrophobicContact CG1-CG 4.21Å; V94-F100 HydrophobicContact CG2-CD1 4.4Å; V94-H183 HydrophobicContact CG2-CB 4.02Å; V94-A184 WeakPolarHBondContact CG2-O 3.24Å; V94-H228 PolarHBondContact O-CE1 3.44Å
95	P	93.1	Very high	78.5	Confident	18 Å²	18	53 Å²	53	12%	0.117	29%	0.294	C	S	.	.			trans	-64.5	148.1	174.8	-23.9	34.3	0	0	0	113.7	K40 V97 F100	K40-P95 WeakPolarHBondContact O-CG 3.18Å; P95-V97 VanDerWaalsContact C-N 3.32Å; P95-F100 HydrophobicContact CG-CD2 3.51Å; P95-F100 HydrophobicContact CG-CE2 3.81Å
96	D	92.1	Very high	77	Confident	18 Å²	18	56.4 Å²	56.4	10%	0.096	32%	0.317	C	S	.	.	S	Bend	trans	-81.6	-17.3	-179.6	-57.8	-31	0	0	0	112.4	Y41 Y42 F70 R91 H228	Y41-D96 PolarHBondContact O-N 3.44Å; Y42-D96 HydrophobicContact CE1-CB 4.17Å; Y42-D96 HydrophobicContact CE2-CB 4.16Å; Y42-D96 VanDerWaalsContact CE2-OD2 3.27Å; Y42-D96 WeakPolarHBondContact CE2-OD2 3.47Å; Y42-D96 PolarHBondContact OH-OD2 2.96Å; Y42-D96 VanDerWaalsContact OH-OD2 3.11Å; F70-D96 HydrophobicContact CD2-CB 4.12Å; F70-D96 HydrophobicContact CE2-CB 3.99Å; F70-D96 HydrophobicContact CG-CB 4.46Å; F70-D96 HydrophobicContact CZ-CB 4.23Å; R91-D96 IonicContact CZ-OD1 3.93Å; R91-D96 IonicContact CZ-OD2 3.5Å; R91-D96 IonicContact NH1-OD1 3.39Å; R91-D96 PolarHBondContact NH1-OD1 2.83Å; R91-D96 IonicContact NH1-OD2 3.73Å; R91-D96 PolarHBondContact NH1-OD2 3.36Å; R91-D96 IonicContact NH2-OD1 3.74Å; R91-D96 PolarHBondContact NH2-OD1 3.41Å; R91-D96 IonicContact NH2-OD2 3.88Å; D96-H228 IonicContact OD1-CE1 3.47Å; D96-H228 IonicContact OD1-CG 2.8Å; D96-H228 IonicContact OD1-ND1 2.88Å; D96-H228 PolarHBondContact OD1-ND1 2.78Å
97	V	82.4	Confident	76	Confident	40 Å²	40	57 Å²	57	24%	0.242	32%	0.32	C	S	.	.	S	Bend	trans	-126.8	143.6	176.2	-59	0	0	0	0	109.9	Y42 P95 Q99	Y42-V97 HydrophobicContact CD1-CG1 3.96Å; Y42-V97 HydrophobicContact CD1-CG2 4.22Å; Y42-V97 HydrophobicContact CE1-CG1 4.06Å; P95-V97 VanDerWaalsContact C-N 3.32Å; V97-Q99 PolarHBondContact O-N 3.25Å; V97-Q99 VanDerWaalsContact O-N 3.14Å
98	A	64.3	Low	75.7	Confident	88 Å²	88	62.7 Å²	62.7	73%	0.727	34%	0.342	S	S	*	.	S	Bend	trans	-43.3	113.2	-165	0	0	0	0	0	115
99	Q	51	Low	75.7	Confident	119 Å²	119	57.9 Å²	57.9	56%	0.556	32%	0.32	S	S	*	.			trans	-163.8	0.6	153.8	-115.6	175.6	6.6	0	0	116.5	N43 V97 V101	N43-Q99 PolarHBondContact ND2-NE2 3.35Å; N43-Q99 PolarHBondContact ND2-OE1 2.95Å; N43-Q99 PolarHBondContact OD1-NE2 2.93Å; N43-Q99 PolarHBondContact OD1-OE1 3.33Å; V97-Q99 PolarHBondContact O-N 3.25Å; V97-Q99 VanDerWaalsContact O-N 3.14Å; Q99-V101 PolarHBondContact O-N 2.67Å
100	F	49.3	Very low	75.5	Confident	41 Å²	41	64.7 Å²	64.7	18%	0.18	35%	0.352	C	S	.	.			trans	-90.6	36.1	172.8	-104.3	-108.4	0	0	0	113.3	V94 P95 F185 Q186	V94-F100 HydrophobicContact CG1-CB 4.02Å; V94-F100 HydrophobicContact CG1-CG 4.21Å; V94-F100 HydrophobicContact CG2-CD1 4.4Å; P95-F100 HydrophobicContact CG-CD2 3.51Å; P95-F100 HydrophobicContact CG-CE2 3.81Å; F100-F185 HydrophobicContact CD1-CD1 4.13Å; F100-F185 HydrophobicContact CD1-CE1 4.27Å; F100-F185 HydrophobicContact CE1-CD1 4.07Å; F100-F185 AromaticContact CE1-CE1 3.78Å; F100-F185 HydrophobicContact CE1-CE1 3.78Å; F100-F185 HydrophobicContact CE1-CZ 4.38Å; F100-Q186 WeakPolarHBondContact O-CG 3.28Å
101	V	49.6	Very low	75.4	Confident	71 Å²	71	66.9 Å²	66.9	43%	0.43	36%	0.36	S	S	.	.			trans	-105.5	97.7	-177.6	-179.2	0	0	0	0	107.5	Q99 T103 P107	Q99-V101 PolarHBondContact O-N 2.67Å; V101-T103 VanDerWaalsContact CG1-C 3.5Å; V101-T103 WeakPolarHBondContact CG1-O 3.39Å; V101-T103 PolarHBondContact O-N 2.97Å; V101-P107 HydrophobicContact CG1-CG 4.36Å
102	L	50.7	Low	75.3	Confident	92 Å²	92	69.4 Å²	69.4	48%	0.482	38%	0.376	S	S	.	.	S	Bend	trans	-66.6	-19	173.4	-71	169.4	0	0	0	112	F185 I191	L102-F185 HydrophobicContact CD1-CB 3.96Å; L102-F185 HydrophobicContact CD1-CD1 3.82Å; L102-F185 HydrophobicContact CD1-CG 4.17Å; L102-F185 HydrophobicContact CG-CD1 4.4Å; L102-I191 HydrophobicContact CD1-CD1 4.36Å; L102-I191 HydrophobicContact CD1-CG1 3.89Å
103	T	47.7	Very low	75.3	Confident	45 Å²	45	73.9 Å²	73.9	28%	0.276	40%	0.396	S	S	.	.	S	Bend	trans	-132.9	109.1	-171.3	26.8	0	0	0	0	110.1	V101 G105 P107 P187	V101-T103 VanDerWaalsContact CG1-C 3.5Å; V101-T103 WeakPolarHBondContact CG1-O 3.39Å; V101-T103 PolarHBondContact O-N 2.97Å; T103-G105 PolarHBondContact O-N 3.29Å; T103-P107 VanDerWaalsContact OG1-CB 3.26Å; T103-P107 WeakPolarHBondContact OG1-CB 3.41Å; T103-P187 PolarHBondContact OG1-O 3.28Å
104	E	47.8	Very low	75.4	Confident	204 Å²	204	73.6 Å²	73.6	95%	0.953	39%	0.394	S	S	*	.	S	Bend	trans	-53.6	126.5	179.6	-74.2	-170.1	162.8	0	0	112.1
105	G	55.2	Low	75.6	Confident	59 Å²	59	74.9 Å²	74.9	61%	0.608	40%	0.401	S	S	*	.	S	Bend	trans	91.1	123.7	179.3	0	0	0	0	0	113	T103 P107	T103-G105 PolarHBondContact O-N 3.29Å; G105-P107 WeakPolarHBondContact O-CA 3.44Å; G105-P107 VanDerWaalsContact O-CD 3.28Å; G105-P107 WeakPolarHBondContact O-CD 3.41Å
106	N	62.5	Low	75.9	Confident	165 Å²	165	74.8 Å²	74.8	88%	0.882	40%	0.399	S	S	*	.	S	Bend	trans	-3.3	79.4	175	-64.5	-14.5	0	0	0	114.9	R108	N106-R108 PolarHBondContact O-N 2.97Å
107	P	76.4	Confident	76.2	Confident	15 Å²	15	76.8 Å²	76.8	10%	0.097	41%	0.405	C	S	.	.			trans	-68.8	130.7	-167.3	25	-33.8	0	0	0	110.9	V101 T103 G105 Q186 P187 G225	V101-P107 HydrophobicContact CG1-CG 4.36Å; T103-P107 VanDerWaalsContact OG1-CB 3.26Å; T103-P107 WeakPolarHBondContact OG1-CB 3.41Å; G105-P107 WeakPolarHBondContact O-CA 3.44Å; G105-P107 VanDerWaalsContact O-CD 3.28Å; G105-P107 WeakPolarHBondContact O-CD 3.41Å; P107-Q186 HydrophobicContact CB-CB 4.38Å; P107-Q186 HydrophobicContact CG-CB 3.73Å; P107-Q186 HydrophobicContact CG-CG 4.17Å; P107-P187 HydrophobicContact CB-CB 4.41Å; P107-G225 WeakPolarHBondContact O-CA 3.43Å
108	R	90.2	Very high	77	Confident	130 Å²	130	75.4 Å²	75.4	49%	0.491	40%	0.396	S	S	.	.			trans	-142.2	142.4	-174.6	168.6	-177.3	170.3	-174.3	-0.3	108.7	N106 I259 Y260	N106-R108 PolarHBondContact O-N 2.97Å; R108-I259 HydrophobicContact CB-CG2 3.85Å; R108-I259 WeakPolarHBondContact CD-O 3.34Å; R108-I259 HydrophobicContact CG-CG2 3.56Å; R108-I259 PolarHBondContact NE-O 2.9Å; R108-I259 PolarHBondContact NH1-O 3.17Å; R108-Y260 HydrophobicContact CG-CD1 4.41Å; R108-Y260 HydrophobicContact CG-CE1 3.71Å
109	W	95.7	Very high	78.6	Confident	22 Å²	22	75.6 Å²	75.6	8%	0.083	38%	0.382	C	S	.	.			trans	-66.7	133.2	169.5	-65.2	109.3	0	0	0	112.1	Q111 L114 D158 P187 G188 G192 S223 Y260	W109-Q111 VanDerWaalsContact C-N 3.28Å; W109-Q111 WeakPolarHBondContact CB-O 3.34Å; W109-Q111 PolarHBondContact O-N 3.05Å; W109-L114 HydrophobicContact CB-CD1 4.37Å; W109-L114 HydrophobicContact CB-CD2 3.99Å; W109-L114 VanDerWaalsContact CD1-CD1 3.48Å; W109-L114 HydrophobicContact CD2-CD1 4.47Å; W109-L114 HydrophobicContact CD2-CD2 3.73Å; W109-L114 HydrophobicContact CE3-CD2 4.13Å; W109-L114 HydrophobicContact CG-CD1 3.87Å; W109-L114 HydrophobicContact CG-CD2 3.67Å; W109-L114 HydrophobicContact CG-CG 4.4Å; W109-D158 HydrophobicContact CH2-CB 4.18Å; W109-D158 WeakPolarHBondContact CH2-O 3.42Å; W109-D158 HydrophobicContact CZ2-CB 4.43Å; W109-D158 HydrophobicContact CZ3-CB 4.43Å; W109-P187 HydrophobicContact CD2-CB 3.88Å; W109-P187 HydrophobicContact CE3-CB 4.5Å; W109-P187 HydrophobicContact CG-CB 4.06Å; W109-P187 HydrophobicContact CG-CG 4.47Å; W109-P187 HydrophobicContact CZ2-CB 4.16Å; W109-G188 VanDerWaalsContact CH2-O 3.31Å; W109-G188 WeakPolarHBondContact CH2-O 3.49Å; W109-G192 WeakPolarHBondContact CH2-O 3.49Å; W109-S223 PolarHBondContact NE1-O 2.55Å; W109-Y260 HydrophobicContact CB-CE1 4.27Å; W109-Y260 PolarHBondContact N-OH 3.42Å
110	E	92.5	Very high	80.9	Confident	191 Å²	191	72.9 Å²	72.9	89%	0.893	37%	0.371	S	S	*	.	S	Bend	trans	-66.9	-34.7	177	-62.2	-172.1	168.8	0	0	111.4
111	Q	95.1	Very high	83.3	Confident	71 Å²	71	73.2 Å²	73.2	33%	0.332	37%	0.372	S	S	.	.			trans	-97.1	152.1	178.4	67.3	-82.6	28.2	0	0	112.4	W109 H113 L114 D158	W109-Q111 VanDerWaalsContact C-N 3.28Å; W109-Q111 WeakPolarHBondContact CB-O 3.34Å; W109-Q111 PolarHBondContact O-N 3.05Å; Q111-H113 VanDerWaalsContact CG-O 3.28Å; Q111-H113 WeakPolarHBondContact CG-O 3.24Å; Q111-L114 HydrophobicContact CG-CD2 3.81Å; Q111-D158 PolarHBondContact NE2-OD1 3.44Å
112	T	96.9	Very high	85.6	Confident	56 Å²	56	70 Å²	70	34%	0.344	35%	0.352	S	S	.	.	S	Bend	trans	-100.8	-6.9	173	58.8	0	0	0	0	113.3	L147 T148	T112-L147 HydrophobicContact CG2-CD2 4.33Å; T112-L147 CarbonylContact O-C 3.23Å; T112-L147 VanDerWaalsContact O-CA 3.3Å; T112-L147 WeakPolarHBondContact O-CA 3.33Å; T112-T148 PolarHBondContact O-N 2.96Å
113	H	98.4	Very high	87.9	Confident	96 Å²	96	70.9 Å²	70.9	44%	0.444	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.5	169.9	-171.8	78	0	0	0	108.5	Q111 T148 T150	Q111-H113 VanDerWaalsContact CG-O 3.28Å; Q111-H113 WeakPolarHBondContact CG-O 3.24Å; H113-T148 PolarHBondContact ND1-OG1 3.25Å; H113-T150 PolarHBondContact CE1-OG1 3.31Å; H113-T150 PolarHBondContact NE2-OG1 3.35Å; H113-T150 VanDerWaalsContact NE2-OG1 3.09Å
114	L	98.7	Very high	90.3	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.3	-178.3	-63.5	169	0	0	0	109.9	W109 Q111 L147 T148 F149 T150 D158 L224	W109-L114 HydrophobicContact CB-CD1 4.37Å; W109-L114 HydrophobicContact CB-CD2 3.99Å; W109-L114 VanDerWaalsContact CD1-CD1 3.48Å; W109-L114 HydrophobicContact CD2-CD1 4.47Å; W109-L114 HydrophobicContact CD2-CD2 3.73Å; W109-L114 HydrophobicContact CE3-CD2 4.13Å; W109-L114 HydrophobicContact CG-CD1 3.87Å; W109-L114 HydrophobicContact CG-CD2 3.67Å; W109-L114 HydrophobicContact CG-CG 4.4Å; Q111-L114 HydrophobicContact CG-CD2 3.81Å; L114-L147 HydrophobicContact CD1-CD2 4.44Å; L114-T148 PolarHBondContact N-O 3.04Å; L114-F149 HydrophobicContact CB-CD1 3.9Å; L114-F149 HydrophobicContact CB-CE1 4.02Å; L114-F149 HydrophobicContact CD1-CE1 3.79Å; L114-F149 HydrophobicContact CG-CE1 4.48Å; L114-F149 CarbonylContact O-C 3.58Å; L114-F149 VanDerWaalsContact O-CA 3.27Å; L114-F149 WeakPolarHBondContact O-CA 3.33Å; L114-T150 PolarHBondContact O-N 3.36Å; L114-D158 HydrophobicContact CB-CB 4.43Å; L114-D158 HydrophobicContact CD2-CB 3.89Å; L114-L224 HydrophobicContact CD1-CD2 3.72Å
115	T	98.8	Very high	92.7	Very high	32 Å²	32	63.2 Å²	63.2	20%	0.196	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146.2	174.2	57.2	0	0	0	0	109.5	T150 V152 A157 D158 I159	T115-T150 CarbonylContact C-O 3.59Å; T115-T150 VanDerWaalsContact CA-O 3.28Å; T115-T150 WeakPolarHBondContact CA-O 2.93Å; T115-V152 HydrophobicContact CG2-CG1 4.05Å; T115-A157 WeakPolarHBondContact OG1-CA 3.3Å; T115-D158 PolarHBondContact N-OD2 3.39Å; T115-D158 PolarHBondContact O-N 3.44Å; T115-D158 VanDerWaalsContact O-N 3.14Å; T115-D158 PolarHBondContact OG1-N 3.39Å; T115-D158 VanDerWaalsContact OG1-N 3.13Å; T115-D158 PolarHBondContact OG1-OD2 3.03Å; T115-I159 PolarHBondContact O-N 2.67Å; T115-I159 VanDerWaalsContact O-N 3.09Å
116	Y	98.9	Very high	94.8	Very high	15 Å²	15	64.8 Å²	64.8	6%	0.059	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154	171.5	75.7	-87.1	0	0	0	111.4	I118 I134 F138 F149 T150 K151 V152 I159 I161	Y116-I118 HydrophobicContact CD2-CG1 4.43Å; Y116-I118 HydrophobicContact CE2-CD1 4.32Å; Y116-I118 HydrophobicContact CE2-CG1 4.29Å; Y116-I134 HydrophobicContact CD2-CG2 4.07Å; Y116-I134 HydrophobicContact CE2-CG2 3.64Å; Y116-F138 AromaticContact CD1-CD2 3.82Å; Y116-F138 HydrophobicContact CD1-CD2 3.82Å; Y116-F138 AromaticContact CD1-CE2 3.45Å; Y116-F138 HydrophobicContact CD1-CE2 3.45Å; Y116-F138 VanDerWaalsContact CD1-CE2 3.45Å; Y116-F138 HydrophobicContact CD1-CZ 4Å; Y116-F138 HydrophobicContact CD2-CD2 4.41Å; Y116-F138 AromaticContact CD2-CE2 3.63Å; Y116-F138 HydrophobicContact CD2-CE2 3.63Å; Y116-F138 HydrophobicContact CD2-CZ 4.41Å; Y116-F138 AromaticContact CE1-CD2 3.75Å; Y116-F138 HydrophobicContact CE1-CD2 3.75Å; Y116-F138 AromaticContact CE1-CE2 3.82Å; Y116-F138 HydrophobicContact CE1-CE2 3.82Å; Y116-F138 HydrophobicContact CE2-CD2 4.36Å; Y116-F138 AromaticContact CE2-CE2 3.99Å; Y116-F138 HydrophobicContact CE2-CE2 3.99Å; Y116-F138 HydrophobicContact CG-CD2 4.13Å; Y116-F138 AromaticContact CG-CE2 3.32Å; Y116-F138 HydrophobicContact CG-CE2 3.32Å; Y116-F138 AromaticContact CG-CZ 3.8Å; Y116-F138 HydrophobicContact CG-CZ 3.8Å; Y116-F149 HydrophobicContact CD1-CB 4.21Å; Y116-F149 HydrophobicContact CE1-CB 4.32Å; Y116-T150 PolarHBondContact N-O 2.89Å; Y116-K151 HydrophobicContact CD1-CB 4.48Å; Y116-K151 HydrophobicContact CD2-CG 4.34Å; Y116-K151 HydrophobicContact CE1-CB 3.82Å; Y116-K151 HydrophobicContact CE2-CB 3.94Å; Y116-K151 HydrophobicContact CE2-CD 4.09Å; Y116-K151 HydrophobicContact CE2-CG 3.75Å; Y116-K151 CarbonylContact O-C 3.58Å; Y116-K151 WeakPolarHBondContact O-CA 3.38Å; Y116-V152 PolarHBondContact O-N 3.27Å; Y116-I159 CarbonylContact C-O 3.5Å; Y116-I159 WeakPolarHBondContact CA-O 3.07Å; Y116-I159 WeakPolarHBondContact CB-O 3.29Å; Y116-I161 HydrophobicContact CD2-CD1 3.97Å
117	R	98.8	Very high	96.5	Very high	60 Å²	60	65.2 Å²	65.2	23%	0.226	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	130.9	178	-176.8	168.9	175.3	-130.9	-13.9	110.7	V152 S153 G155 A157 I159 M160 I161	R117-V152 HydrophobicContact CB-CG2 3.98Å; R117-S153 PolarHBondContact NE-O 3.43Å; R117-S153 VanDerWaalsContact NE-O 3.08Å; R117-G155 WeakPolarHBondContact CD-O 3.29Å; R117-G155 PolarHBondContact NH1-O 3.42Å; R117-A157 HydrophobicContact CB-CB 3.91Å; R117-I159 PolarHBondContact N-O 3.05Å; R117-M160 HydrophobicContact CB-CE 4.26Å; R117-M160 HydrophobicContact CB-SD 3.98Å; R117-M160 HydrophobicContact CG-CE 4.38Å; R117-I161 PolarHBondContact O-N 3.22Å
118	I	98.8	Very high	97.6	Very high	11 Å²	11	67.9 Å²	67.9	6%	0.056	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	109.3	171.3	-59	168.4	0	0	0	107.4	Y116 N120 Y121 D131 I134 I161	Y116-I118 HydrophobicContact CD2-CG1 4.43Å; Y116-I118 HydrophobicContact CE2-CD1 4.32Å; Y116-I118 HydrophobicContact CE2-CG1 4.29Å; I118-N120 WeakPolarHBondContact CG2-O 3.3Å; I118-Y121 HydrophobicContact CB-CE1 4.47Å; I118-Y121 HydrophobicContact CB-CE2 4.34Å; I118-Y121 HydrophobicContact CD1-CE1 4.31Å; I118-Y121 HydrophobicContact CG2-CD1 4.13Å; I118-Y121 HydrophobicContact CG2-CD2 4.11Å; I118-Y121 HydrophobicContact CG2-CE1 3.74Å; I118-Y121 HydrophobicContact CG2-CE2 3.67Å; I118-Y121 HydrophobicContact CG2-CG 4.3Å; I118-Y121 VanDerWaalsContact CG2-CZ 3.46Å; I118-D131 VanDerWaalsContact CD1-OD1 3.26Å; I118-D131 WeakPolarHBondContact CD1-OD1 3.28Å; I118-I134 HydrophobicContact CD1-CB 4.17Å; I118-I134 HydrophobicContact CD1-CG1 4Å; I118-I134 HydrophobicContact CD1-CG2 4.29Å; I118-I161 HydrophobicContact CG1-CB 4.29Å; I118-I161 HydrophobicContact CG1-CD1 4.43Å; I118-I161 HydrophobicContact CG1-CG2 4.41Å
119	E	98.5	Very high	98	Very high	93 Å²	93	62.6 Å²	62.6	44%	0.435	32%	0.323	S	S	.	.			trans	-75.6	-43.5	-173.1	-63.8	-165.4	100	0	0	112.3	M160 I161	E119-M160 VanDerWaalsContact CD-CE 3.44Å; E119-M160 HydrophobicContact CG-CB 4.48Å; E119-M160 HydrophobicContact CG-CE 3.55Å; E119-M160 VanDerWaalsContact OE1-CE 3.23Å; E119-M160 WeakPolarHBondContact OE1-CE 3.45Å; E119-I161 PolarHBondContact N-O 3.19Å
120	N	98.6	Very high	98.1	Very high	62 Å²	62	61.5 Å²	61.5	33%	0.332	32%	0.319	S	S	.	.			trans	-142.9	175.2	176.4	69.6	-25.3	0	0	0	110.2	I118 S162 F163	I118-N120 WeakPolarHBondContact CG2-O 3.3Å; N120-S162 VanDerWaalsContact OD1-CA 3.25Å; N120-S162 WeakPolarHBondContact OD1-CA 3.42Å; N120-S162 WeakPolarHBondContact OD1-CB 3.39Å; N120-F163 PolarHBondContact ND2-O 3.31Å; N120-F163 WeakPolarHBondContact O-CD2 3.3Å; N120-F163 PolarHBondContact OD1-N 3.13Å
121	Y	98.8	Very high	98.4	Very high	47 Å²	47	54.6 Å²	54.6	18%	0.184	29%	0.288	C	S	.	.			trans	-135.5	139.6	-172.9	-67.7	-102.4	0	0	0	109.7	I118 R127 V130 D131 K151	I118-Y121 HydrophobicContact CB-CE1 4.47Å; I118-Y121 HydrophobicContact CB-CE2 4.34Å; I118-Y121 HydrophobicContact CD1-CE1 4.31Å; I118-Y121 HydrophobicContact CG2-CD1 4.13Å; I118-Y121 HydrophobicContact CG2-CD2 4.11Å; I118-Y121 HydrophobicContact CG2-CE1 3.74Å; I118-Y121 HydrophobicContact CG2-CE2 3.67Å; I118-Y121 HydrophobicContact CG2-CG 4.3Å; I118-Y121 VanDerWaalsContact CG2-CZ 3.46Å; Y121-R127 HydrophobicContact CD1-CB 3.83Å; Y121-R127 HydrophobicContact CD1-CG 3.72Å; Y121-R127 HydrophobicContact CD2-CG 4.26Å; Y121-R127 HydrophobicContact CE1-CB 3.97Å; Y121-R127 HydrophobicContact CE1-CG 4.22Å; Y121-R127 HydrophobicContact CG-CB 4.37Å; Y121-R127 HydrophobicContact CG-CG 3.76Å; Y121-V130 HydrophobicContact CD1-CB 3.76Å; Y121-V130 HydrophobicContact CD1-CG1 3.65Å; Y121-V130 HydrophobicContact CD1-CG2 4.22Å; Y121-V130 HydrophobicContact CE1-CB 4.16Å; Y121-V130 HydrophobicContact CE1-CG1 3.97Å; Y121-D131 VanDerWaalsContact CE1-OD1 3.3Å; Y121-D131 WeakPolarHBondContact CE1-OD1 3.31Å; Y121-D131 PolarHBondContact OH-OD1 2.75Å; Y121-D131 VanDerWaalsContact OH-OD1 3.06Å; Y121-K151 PolarHBondContact OH-NZ 3.14Å
122	T	98.8	Very high	98.6	Very high	4 Å²	4	56.1 Å²	56.1	3%	0.025	30%	0.295	C	S	.	.			trans	-61.7	139.9	168.7	178	0	0	0	0	111.9	D124 L125 V130 F163 E199 W203	T122-D124 HydrophobicContact CG2-CB 4.49Å; T122-D124 PolarHBondContact O-N 3.19Å; T122-D124 PolarHBondContact OG1-N 2.98Å; T122-L125 HydrophobicContact CG2-CB 4.5Å; T122-V130 HydrophobicContact CG2-CG2 3.93Å; T122-F163 HydrophobicContact CG2-CD1 4.11Å; T122-F163 HydrophobicContact CG2-CE1 3.73Å; T122-F163 HydrophobicContact CG2-CZ 4.05Å; T122-E199 WeakPolarHBondContact CA-OE2 3.39Å; T122-E199 WeakPolarHBondContact CB-OE1 3.49Å; T122-E199 WeakPolarHBondContact CB-OE2 3.35Å; T122-E199 PolarHBondContact OG1-OE1 3.08Å; T122-E199 PolarHBondContact OG1-OE2 2.78Å; T122-W203 HydrophobicContact CG2-CB 4.14Å; T122-W203 HydrophobicContact CG2-CG 4.32Å
123	P	98.6	Very high	98.7	Very high	110 Å²	110	53.9 Å²	53.9	71%	0.714	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.1	171.9	32	-36.3	0	0	0	113.6	L125 E199	P123-L125 VanDerWaalsContact C-N 3.27Å; P123-L125 PolarHBondContact O-N 3.47Å; P123-E199 VanDerWaalsContact CD-OE1 3.24Å; P123-E199 WeakPolarHBondContact CD-OE1 3.39Å
124	D	98.7	Very high	98.7	Very high	71 Å²	71	49.3 Å²	49.3	38%	0.38	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-25.5	-176.3	-71.6	-16	0	0	0	113.7	T122 R202 W203	T122-D124 HydrophobicContact CG2-CB 4.49Å; T122-D124 PolarHBondContact O-N 3.19Å; T122-D124 PolarHBondContact OG1-N 2.98Å; D124-R202 VanDerWaalsContact OD2-CA 3.24Å; D124-R202 WeakPolarHBondContact OD2-CA 3.49Å; D124-W203 HydrophobicContact CB-CB 4.26Å; D124-W203 PolarHBondContact OD2-N 2.9Å
125	L	98.6	Very high	98.7	Very high	18 Å²	18	55 Å²	55	9%	0.094	29%	0.288	C	S	.	.	S	Bend	trans	-128.9	146.6	-177.4	-68.4	174.3	0	0	0	110.7	T122 P123 R127 A129 V130 W203 N205 L212	T122-L125 HydrophobicContact CG2-CB 4.5Å; P123-L125 VanDerWaalsContact C-N 3.27Å; P123-L125 PolarHBondContact O-N 3.47Å; L125-R127 PolarHBondContact O-N 3.16Å; L125-A129 HydrophobicContact CB-CB 4.37Å; L125-V130 HydrophobicContact CB-CG2 3.93Å; L125-W203 HydrophobicContact CD1-CB 4.29Å; L125-N205 HydrophobicContact CD2-CB 4.15Å; L125-L212 HydrophobicContact CD1-CB 4.28Å; L125-L212 HydrophobicContact CD1-CD2 4.11Å
126	P	98.7	Very high	98.7	Very high	92 Å²	92	57.4 Å²	57.4	60%	0.597	30%	0.296	S	S	*	.			trans	-56.5	142.7	167.7	-22.7	33.2	0	0	0	110.7	A128 A129 V130	P126-A128 PolarHBondContact O-N 2.7Å; P126-A128 VanDerWaalsContact O-N 3.09Å; P126-A129 WeakPolarHBondContact O-CA 3.44Å; P126-A129 WeakPolarHBondContact O-CB 3.47Å; P126-A129 PolarHBondContact O-N 3.38Å; P126-V130 PolarHBondContact O-N 3.2Å
127	R	98.7	Very high	98.7	Very high	173 Å²	173	56.7 Å²	56.7	65%	0.653	29%	0.293	S	S	*	.	H	α-helix	trans	-51.2	-39.5	179.7	-66.9	-168	175.5	-166.7	-3.4	113.5	Y121 L125 A129 V130 D131	Y121-R127 HydrophobicContact CD1-CB 3.83Å; Y121-R127 HydrophobicContact CD1-CG 3.72Å; Y121-R127 HydrophobicContact CD2-CG 4.26Å; Y121-R127 HydrophobicContact CE1-CB 3.97Å; Y121-R127 HydrophobicContact CE1-CG 4.22Å; Y121-R127 HydrophobicContact CG-CB 4.37Å; Y121-R127 HydrophobicContact CG-CG 3.76Å; L125-R127 PolarHBondContact O-N 3.16Å; R127-A129 VanDerWaalsContact C-N 3.28Å; R127-A129 PolarHBondContact O-N 2.93Å; R127-V130 WeakPolarHBondContact O-CB 3.48Å; R127-V130 PolarHBondContact O-N 3.36Å; R127-D131 WeakPolarHBondContact O-CB 3.44Å; R127-D131 PolarHBondContact O-N 3.48Å
128	A	98.7	Very high	98.7	Very high	72 Å²	72	54 Å²	54	60%	0.595	28%	0.283	S	S	*	.	H	α-helix	trans	-62.8	-31.9	176.4	0	0	0	0	0	113.4	P126 Q132	P126-A128 PolarHBondContact O-N 2.7Å; P126-A128 VanDerWaalsContact O-N 3.09Å; A128-Q132 VanDerWaalsContact O-CB 3.29Å; A128-Q132 WeakPolarHBondContact O-CB 3.48Å; A128-Q132 PolarHBondContact O-N 3Å
129	A	98.7	Very high	98.7	Very high	18 Å²	18	58.3 Å²	58.3	15%	0.149	30%	0.303	C	S	.	.	H	α-helix	trans	-74.9	-36.4	175.9	0	0	0	0	0	111.7	L125 P126 R127 A133	L125-A129 HydrophobicContact CB-CB 4.37Å; P126-A129 WeakPolarHBondContact O-CA 3.44Å; P126-A129 WeakPolarHBondContact O-CB 3.47Å; P126-A129 PolarHBondContact O-N 3.38Å; R127-A129 VanDerWaalsContact C-N 3.28Å; R127-A129 PolarHBondContact O-N 2.93Å; A129-A133 WeakPolarHBondContact O-CB 3.23Å; A129-A133 PolarHBondContact O-N 3.42Å
130	V	98.9	Very high	98.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-50.8	170.6	174.6	0	0	0	0	110	Y121 T122 L125 P126 R127 Q132 A133 I134 F163 L212	Y121-V130 HydrophobicContact CD1-CB 3.76Å; Y121-V130 HydrophobicContact CD1-CG1 3.65Å; Y121-V130 HydrophobicContact CD1-CG2 4.22Å; Y121-V130 HydrophobicContact CE1-CB 4.16Å; Y121-V130 HydrophobicContact CE1-CG1 3.97Å; T122-V130 HydrophobicContact CG2-CG2 3.93Å; L125-V130 HydrophobicContact CB-CG2 3.93Å; P126-V130 PolarHBondContact O-N 3.2Å; R127-V130 WeakPolarHBondContact O-CB 3.48Å; R127-V130 PolarHBondContact O-N 3.36Å; V130-Q132 VanDerWaalsContact C-N 3.31Å; V130-Q132 PolarHBondContact O-N 2.84Å; V130-A133 WeakPolarHBondContact O-CB 3.16Å; V130-A133 PolarHBondContact O-N 3.19Å; V130-I134 HydrophobicContact CG1-CG1 4.45Å; V130-I134 WeakPolarHBondContact O-CG1 3.13Å; V130-I134 PolarHBondContact O-N 3.28Å; V130-F163 HydrophobicContact CG1-CE2 3.98Å; V130-F163 HydrophobicContact CG1-CZ 3.92Å; V130-L212 HydrophobicContact CB-CD2 4.25Å; V130-L212 HydrophobicContact CG1-CD2 4.08Å; V130-L212 HydrophobicContact CG2-CD2 4.02Å
131	D	98.8	Very high	98.7	Very high	45 Å²	45	51.9 Å²	51.9	24%	0.241	27%	0.272	C	S	.	.	H	α-helix	trans	-53.5	-48.7	176.9	-76.3	-21	0	0	0	111.9	I118 Y121 R127 A133 I134 E135 K151	I118-D131 VanDerWaalsContact CD1-OD1 3.26Å; I118-D131 WeakPolarHBondContact CD1-OD1 3.28Å; Y121-D131 VanDerWaalsContact CE1-OD1 3.3Å; Y121-D131 WeakPolarHBondContact CE1-OD1 3.31Å; Y121-D131 PolarHBondContact OH-OD1 2.75Å; Y121-D131 VanDerWaalsContact OH-OD1 3.06Å; R127-D131 WeakPolarHBondContact O-CB 3.44Å; R127-D131 PolarHBondContact O-N 3.48Å; D131-A133 VanDerWaalsContact C-N 3.33Å; D131-A133 PolarHBondContact O-N 2.77Å; D131-I134 PolarHBondContact O-N 3.17Å; D131-E135 VanDerWaalsContact O-CB 3.28Å; D131-E135 WeakPolarHBondContact O-CB 3.48Å; D131-E135 PolarHBondContact O-N 3.36Å; D131-K151 IonicContact OD1-NZ 3.21Å; D131-K151 PolarHBondContact OD1-NZ 3.46Å; D131-K151 IonicContact OD2-NZ 2.9Å; D131-K151 PolarHBondContact OD2-NZ 3.32Å
132	Q	98.7	Very high	98.6	Very high	103 Å²	103	51.2 Å²	51.2	48%	0.481	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-36.5	178.4	-174.5	178.8	43.2	0	0	112.6	A128 V130 K136	A128-Q132 VanDerWaalsContact O-CB 3.29Å; A128-Q132 WeakPolarHBondContact O-CB 3.48Å; A128-Q132 PolarHBondContact O-N 3Å; V130-Q132 VanDerWaalsContact C-N 3.31Å; V130-Q132 PolarHBondContact O-N 2.84Å; Q132-K136 HydrophobicContact CG-CD 4.15Å; Q132-K136 HydrophobicContact CG-CG 4.48Å; Q132-K136 WeakPolarHBondContact O-CB 3.25Å; Q132-K136 VanDerWaalsContact O-CG 3.25Å; Q132-K136 WeakPolarHBondContact O-CG 3.31Å; Q132-K136 PolarHBondContact O-N 3.18Å
133	A	98.8	Very high	98.6	Very high	10 Å²	10	54.6 Å²	54.6	8%	0.083	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-46.2	178.1	0	0	0	0	0	111.2	A129 V130 D131 A137 L212 Y213	A129-A133 WeakPolarHBondContact O-CB 3.23Å; A129-A133 PolarHBondContact O-N 3.42Å; V130-A133 WeakPolarHBondContact O-CB 3.16Å; V130-A133 PolarHBondContact O-N 3.19Å; D131-A133 VanDerWaalsContact C-N 3.33Å; D131-A133 PolarHBondContact O-N 2.77Å; A133-A137 WeakPolarHBondContact O-CB 3.47Å; A133-A137 PolarHBondContact O-N 2.65Å; A133-L212 HydrophobicContact CB-CB 4.47Å; A133-L212 HydrophobicContact CB-CD2 4.11Å; A133-L212 HydrophobicContact CB-CG 4.12Å; A133-Y213 WeakPolarHBondContact O-CD2 3.33Å
134	I	98.9	Very high	98.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.2	-45.1	178.1	-60.9	-52.8	0	0	0	111.3	Y116 I118 V130 D131 K136 A137 F138 I161 F197 A216	Y116-I134 HydrophobicContact CD2-CG2 4.07Å; Y116-I134 HydrophobicContact CE2-CG2 3.64Å; I118-I134 HydrophobicContact CD1-CB 4.17Å; I118-I134 HydrophobicContact CD1-CG1 4Å; I118-I134 HydrophobicContact CD1-CG2 4.29Å; V130-I134 HydrophobicContact CG1-CG1 4.45Å; V130-I134 WeakPolarHBondContact O-CG1 3.13Å; V130-I134 PolarHBondContact O-N 3.28Å; D131-I134 PolarHBondContact O-N 3.17Å; I134-K136 PolarHBondContact O-N 2.95Å; I134-A137 WeakPolarHBondContact O-CB 3.46Å; I134-A137 PolarHBondContact O-N 3.29Å; I134-A137 VanDerWaalsContact O-N 3.13Å; I134-F138 HydrophobicContact CG2-CD2 3.87Å; I134-F138 HydrophobicContact CG2-CE2 3.68Å; I134-F138 WeakPolarHBondContact O-CD2 3.39Å; I134-F138 PolarHBondContact O-N 3.26Å; I134-I161 HydrophobicContact CD1-CD1 4.39Å; I134-I161 HydrophobicContact CD1-CG2 4.4Å; I134-I161 HydrophobicContact CG1-CD1 4.49Å; I134-I161 HydrophobicContact CG2-CD1 3.47Å; I134-I161 VanDerWaalsContact CG2-CD1 3.47Å; I134-F197 HydrophobicContact CD1-CZ 4.46Å; I134-A216 HydrophobicContact CD1-CB 3.56Å
135	E	98.8	Very high	98.5	Very high	119 Å²	119	46.5 Å²	46.5	56%	0.556	24%	0.243	S	C	*	.	H	α-helix	trans	-58.5	-46.8	177.2	-178.1	-177.4	-154.6	0	0	111.4	D131 A137 F138 Q139	D131-E135 VanDerWaalsContact O-CB 3.28Å; D131-E135 WeakPolarHBondContact O-CB 3.48Å; D131-E135 PolarHBondContact O-N 3.36Å; E135-A137 VanDerWaalsContact C-N 3.3Å; E135-A137 PolarHBondContact O-N 3.29Å; E135-F138 PolarHBondContact O-N 2.61Å; E135-Q139 WeakPolarHBondContact O-CB 3.16Å; E135-Q139 PolarHBondContact O-N 3.21Å
136	K	98.6	Very high	98.4	Very high	83 Å²	83	47.5 Å²	47.5	36%	0.361	25%	0.251	S	S	.	.	H	α-helix	trans	-63.4	-36.1	176.1	-76.1	179	175.3	178.1	0	112.5	Q132 I134 Q139 L140 Y213	Q132-K136 HydrophobicContact CG-CD 4.15Å; Q132-K136 HydrophobicContact CG-CG 4.48Å; Q132-K136 WeakPolarHBondContact O-CB 3.25Å; Q132-K136 VanDerWaalsContact O-CG 3.25Å; Q132-K136 WeakPolarHBondContact O-CG 3.31Å; Q132-K136 PolarHBondContact O-N 3.18Å; I134-K136 PolarHBondContact O-N 2.95Å; K136-Q139 WeakPolarHBondContact O-CB 3.48Å; K136-Q139 PolarHBondContact O-N 3.4Å; K136-L140 PolarHBondContact O-N 2.94Å; K136-L140 VanDerWaalsContact O-N 3.11Å; K136-Y213 VanDerWaalsContact C-CE2 3.47Å; K136-Y213 HydrophobicContact CB-CD2 3.83Å; K136-Y213 HydrophobicContact CB-CE2 3.5Å
137	A	98.8	Very high	98.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-46.7	177.2	0	0	0	0	0	111.3	A133 I134 E135 Q139 L140 W141 Y213 A216 A217 L220	A133-A137 WeakPolarHBondContact O-CB 3.47Å; A133-A137 PolarHBondContact O-N 2.65Å; I134-A137 WeakPolarHBondContact O-CB 3.46Å; I134-A137 PolarHBondContact O-N 3.29Å; I134-A137 VanDerWaalsContact O-N 3.13Å; E135-A137 VanDerWaalsContact C-N 3.3Å; E135-A137 PolarHBondContact O-N 3.29Å; A137-Q139 VanDerWaalsContact C-N 3.29Å; A137-Q139 PolarHBondContact O-N 3.18Å; A137-L140 WeakPolarHBondContact O-CB 3.44Å; A137-L140 PolarHBondContact O-N 2.93Å; A137-W141 VanDerWaalsContact O-CD1 3.31Å; A137-Y213 HydrophobicContact CB-CD2 4.11Å; A137-Y213 HydrophobicContact CB-CE2 4.31Å; A137-A216 HydrophobicContact CB-CB 4.06Å; A137-A217 HydrophobicContact CB-CB 4.01Å; A137-L220 HydrophobicContact CB-CD1 3.72Å
138	F	98.8	Very high	98.4	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-34.7	171	-78.8	-61.3	0	0	0	113.2	Y116 I134 E135 L140 W141 S142 F149 I159 I161 L220	Y116-F138 AromaticContact CD1-CD2 3.82Å; Y116-F138 HydrophobicContact CD1-CD2 3.82Å; Y116-F138 AromaticContact CD1-CE2 3.45Å; Y116-F138 HydrophobicContact CD1-CE2 3.45Å; Y116-F138 VanDerWaalsContact CD1-CE2 3.45Å; Y116-F138 HydrophobicContact CD1-CZ 4Å; Y116-F138 HydrophobicContact CD2-CD2 4.41Å; Y116-F138 AromaticContact CD2-CE2 3.63Å; Y116-F138 HydrophobicContact CD2-CE2 3.63Å; Y116-F138 HydrophobicContact CD2-CZ 4.41Å; Y116-F138 AromaticContact CE1-CD2 3.75Å; Y116-F138 HydrophobicContact CE1-CD2 3.75Å; Y116-F138 AromaticContact CE1-CE2 3.82Å; Y116-F138 HydrophobicContact CE1-CE2 3.82Å; Y116-F138 HydrophobicContact CE2-CD2 4.36Å; Y116-F138 AromaticContact CE2-CE2 3.99Å; Y116-F138 HydrophobicContact CE2-CE2 3.99Å; Y116-F138 HydrophobicContact CG-CD2 4.13Å; Y116-F138 AromaticContact CG-CE2 3.32Å; Y116-F138 HydrophobicContact CG-CE2 3.32Å; Y116-F138 AromaticContact CG-CZ 3.8Å; Y116-F138 HydrophobicContact CG-CZ 3.8Å; I134-F138 HydrophobicContact CG2-CD2 3.87Å; I134-F138 HydrophobicContact CG2-CE2 3.68Å; I134-F138 WeakPolarHBondContact O-CD2 3.39Å; I134-F138 PolarHBondContact O-N 3.26Å; E135-F138 PolarHBondContact O-N 2.61Å; F138-L140 VanDerWaalsContact C-N 3.29Å; F138-L140 PolarHBondContact O-N 2.97Å; F138-W141 PolarHBondContact O-N 3.4Å; F138-S142 PolarHBondContact O-N 2.65Å; F138-S142 PolarHBondContact O-OG 3.41Å; F138-F149 HydrophobicContact CB-CB 4.1Å; F138-F149 HydrophobicContact CB-CD2 3.66Å; F138-F149 HydrophobicContact CB-CE2 4.22Å; F138-F149 HydrophobicContact CB-CG 3.88Å; F138-F149 HydrophobicContact CD1-CB 4.08Å; F138-F149 AromaticContact CD1-CD1 3.24Å; F138-F149 HydrophobicContact CD1-CD1 3.24Å; F138-F149 AromaticContact CD1-CD2 3.64Å; F138-F149 HydrophobicContact CD1-CD2 3.64Å; F138-F149 AromaticContact CD1-CE1 3.39Å; F138-F149 HydrophobicContact CD1-CE1 3.39Å; F138-F149 AromaticContact CD1-CE2 3.79Å; F138-F149 HydrophobicContact CD1-CE2 3.79Å; F138-F149 AromaticContact CD1-CG 3.36Å; F138-F149 HydrophobicContact CD1-CG 3.36Å; F138-F149 AromaticContact CD1-CZ 3.67Å; F138-F149 HydrophobicContact CD1-CZ 3.67Å; F138-F149 AromaticContact CE1-CD1 3.41Å; F138-F149 HydrophobicContact CE1-CD1 3.41Å; F138-F149 VanDerWaalsContact CE1-CD1 3.41Å; F138-F149 AromaticContact CE1-CE1 3.52Å; F138-F149 HydrophobicContact CE1-CE1 3.52Å; F138-F149 AromaticContact CE1-CG 4Å; F138-F149 HydrophobicContact CE1-CG 4Å; F138-F149 HydrophobicContact CE1-CZ 4.19Å; F138-F149 HydrophobicContact CG-CB 4Å; F138-F149 HydrophobicContact CG-CD1 4.04Å; F138-F149 AromaticContact CG-CD2 3.96Å; F138-F149 HydrophobicContact CG-CD2 3.96Å; F138-F149 HydrophobicContact CG-CE2 4.45Å; F138-F149 AromaticContact CG-CG 3.72Å; F138-F149 HydrophobicContact CG-CG 3.72Å; F138-F149 HydrophobicContact CZ-CD1 4.32Å; F138-I159 HydrophobicContact CE1-CD1 3.79Å; F138-I159 HydrophobicContact CZ-CD1 4.04Å; F138-I159 HydrophobicContact CZ-CG2 4.22Å; F138-I161 HydrophobicContact CE2-CD1 4.08Å; F138-I161 HydrophobicContact CZ-CD1 4.4Å; F138-L220 HydrophobicContact CD1-CD1 3.81Å; F138-L220 HydrophobicContact CD2-CD1 3.82Å; F138-L220 HydrophobicContact CE1-CD1 3.72Å; F138-L220 HydrophobicContact CE1-CD2 3.62Å; F138-L220 HydrophobicContact CE1-CG 4.15Å; F138-L220 HydrophobicContact CE2-CD1 3.71Å; F138-L220 HydrophobicContact CE2-CD2 4.13Å; F138-L220 HydrophobicContact CG-CD1 3.87Å; F138-L220 HydrophobicContact CZ-CD1 3.67Å; F138-L220 HydrophobicContact CZ-CD2 3.39Å; F138-L220 HydrophobicContact CZ-CG 4.15Å
139	Q	98.3	Very high	98.4	Very high	100 Å²	100	36.5 Å²	36.5	47%	0.467	19%	0.191	S	C	.	.	H	α-helix	trans	-62.1	-36.6	178.5	-163	178.8	12.3	0	0	112.2	E135 K136 A137 W141 S142 N143	E135-Q139 WeakPolarHBondContact O-CB 3.16Å; E135-Q139 PolarHBondContact O-N 3.21Å; K136-Q139 WeakPolarHBondContact O-CB 3.48Å; K136-Q139 PolarHBondContact O-N 3.4Å; A137-Q139 VanDerWaalsContact C-N 3.29Å; A137-Q139 PolarHBondContact O-N 3.18Å; Q139-W141 VanDerWaalsContact C-N 3.33Å; Q139-W141 PolarHBondContact O-N 3.24Å; Q139-S142 VanDerWaalsContact CA-OG 3.3Å; Q139-S142 WeakPolarHBondContact CA-OG 3.43Å; Q139-S142 PolarHBondContact O-N 2.86Å; Q139-S142 PolarHBondContact O-OG 3.28Å; Q139-N143 VanDerWaalsContact O-CB 3.29Å; Q139-N143 WeakPolarHBondContact O-CB 3.16Å; Q139-N143 PolarHBondContact O-N 3.21Å; Q139-N143 PolarHBondContact O-ND2 3.44Å; Q139-N143 VanDerWaalsContact O-ND2 3.15Å; Q139-N143 PolarHBondContact O-OD1 2.76Å
140	L	98.1	Very high	98.4	Very high	20 Å²	20	38.4 Å²	38.4	11%	0.105	20%	0.2	C	C	.	.	H	α-helix	trans	-55.5	-48.9	175.7	-72.9	174.1	0	0	0	111.7	K136 A137 F138 Y213 A217 V246 L248	K136-L140 PolarHBondContact O-N 2.94Å; K136-L140 VanDerWaalsContact O-N 3.11Å; A137-L140 WeakPolarHBondContact O-CB 3.44Å; A137-L140 PolarHBondContact O-N 2.93Å; F138-L140 VanDerWaalsContact C-N 3.29Å; F138-L140 PolarHBondContact O-N 2.97Å; L140-Y213 HydrophobicContact CD1-CE2 3.84Å; L140-Y213 WeakPolarHBondContact CD1-OH 3.46Å; L140-Y213 WeakPolarHBondContact CD2-OH 3.49Å; L140-Y213 HydrophobicContact CG-CE2 4.33Å; L140-Y213 WeakPolarHBondContact CG-OH 3.24Å; L140-A217 HydrophobicContact CD1-CB 3.73Å; L140-V246 HydrophobicContact CD1-CG1 3.98Å; L140-L248 HydrophobicContact CB-CD1 4.39Å; L140-L248 HydrophobicContact CB-CD2 4.15Å; L140-L248 HydrophobicContact CB-CG 4.1Å; L140-L248 VanDerWaalsContact O-CD1 3.28Å; L140-L248 WeakPolarHBondContact O-CD1 3.38Å
141	W	98.6	Very high	98.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-72.3	-41.9	-177.4	-60.1	117.6	0	0	0	112.8	A137 F138 Q139 N143 V144 T145 A217 L224 L226 L235 M236 L248 D252 I256	A137-W141 VanDerWaalsContact O-CD1 3.31Å; F138-W141 PolarHBondContact O-N 3.4Å; Q139-W141 VanDerWaalsContact C-N 3.33Å; Q139-W141 PolarHBondContact O-N 3.24Å; W141-N143 VanDerWaalsContact C-N 3.33Å; W141-N143 PolarHBondContact O-N 3.48Å; W141-V144 WeakPolarHBondContact O-CG2 3.18Å; W141-V144 PolarHBondContact O-N 3.41Å; W141-T145 PolarHBondContact O-N 3.02Å; W141-T145 PolarHBondContact O-OG1 3.1Å; W141-A217 VanDerWaalsContact CZ2-O 3.3Å; W141-A217 WeakPolarHBondContact CZ2-O 3.37Å; W141-A217 PolarHBondContact NE1-O 3.27Å; W141-L224 HydrophobicContact CB-CD1 3.67Å; W141-L224 HydrophobicContact CD2-CD1 4.17Å; W141-L224 HydrophobicContact CG-CD1 3.62Å; W141-L226 HydrophobicContact CE3-CD1 4.39Å; W141-L226 HydrophobicContact CH2-CD1 3.36Å; W141-L226 HydrophobicContact CZ2-CD1 4.18Å; W141-L226 HydrophobicContact CZ3-CD1 3.5Å; W141-L226 VanDerWaalsContact CZ3-CD1 3.5Å; W141-L235 HydrophobicContact CH2-CD2 4.19Å; W141-L235 HydrophobicContact CZ2-CD2 3.67Å; W141-M236 HydrophobicContact CH2-CG 4.17Å; W141-M236 HydrophobicContact CH2-SD 4.11Å; W141-M236 HydrophobicContact CZ2-SD 4.04Å; W141-L248 HydrophobicContact CD2-CD1 4.47Å; W141-L248 HydrophobicContact CD2-CD2 4.21Å; W141-L248 HydrophobicContact CE3-CD1 3.81Å; W141-L248 HydrophobicContact CE3-CD2 3.92Å; W141-L248 HydrophobicContact CH2-CD2 3.66Å; W141-L248 HydrophobicContact CZ2-CD2 3.97Å; W141-L248 HydrophobicContact CZ3-CD1 4.01Å; W141-L248 HydrophobicContact CZ3-CD2 3.63Å; W141-L248 HydrophobicContact CZ3-CG 4.47Å; W141-D252 HydrophobicContact CH2-CB 4.11Å; W141-D252 HydrophobicContact CZ3-CB 4.13Å; W141-I256 HydrophobicContact CE3-CB 3.98Å; W141-I256 HydrophobicContact CE3-CD1 4.3Å; W141-I256 HydrophobicContact CE3-CG1 3.91Å; W141-I256 HydrophobicContact CE3-CG2 4.04Å; W141-I256 HydrophobicContact CZ3-CB 3.97Å; W141-I256 HydrophobicContact CZ3-CG1 4.33Å; W141-I256 HydrophobicContact CZ3-CG2 4.16Å
142	S	97.8	Very high	98.4	Very high	33 Å²	33	42 Å²	42	23%	0.231	22%	0.217	C	C	.	.	H	α-helix	trans	-69.3	-27.1	177.4	52.2	0	0	0	0	113.4	F138 Q139 V144 T145 L147	F138-S142 PolarHBondContact O-N 2.65Å; F138-S142 PolarHBondContact O-OG 3.41Å; Q139-S142 VanDerWaalsContact CA-OG 3.3Å; Q139-S142 WeakPolarHBondContact CA-OG 3.43Å; Q139-S142 PolarHBondContact O-N 2.86Å; Q139-S142 PolarHBondContact O-OG 3.28Å; S142-V144 PolarHBondContact O-N 2.88Å; S142-T145 PolarHBondContact O-N 3.14Å; S142-L147 WeakPolarHBondContact CB-O 3.33Å
143	N	97.2	Very high	98.3	Very high	76 Å²	76	41.9 Å²	41.9	41%	0.406	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.2	175.8	-78.1	-20.3	0	0	0	113.2	Q139 W141	Q139-N143 VanDerWaalsContact O-CB 3.29Å; Q139-N143 WeakPolarHBondContact O-CB 3.16Å; Q139-N143 PolarHBondContact O-N 3.21Å; Q139-N143 PolarHBondContact O-ND2 3.44Å; Q139-N143 VanDerWaalsContact O-ND2 3.15Å; Q139-N143 PolarHBondContact O-OD1 2.76Å; W141-N143 VanDerWaalsContact C-N 3.33Å; W141-N143 PolarHBondContact O-N 3.48Å
144	V	97.7	Very high	98.1	Very high	5 Å²	5	49 Å²	49	3%	0.03	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	0.3	-174.6	-60.3	0	0	0	0	113.7	W141 S142 L248 I253 I256 Q257 S263 P269	W141-V144 WeakPolarHBondContact O-CG2 3.18Å; W141-V144 PolarHBondContact O-N 3.41Å; S142-V144 PolarHBondContact O-N 2.88Å; V144-L248 HydrophobicContact CG1-CD1 4.28Å; V144-L248 HydrophobicContact CG2-CD1 3.57Å; V144-I253 HydrophobicContact CB-CG2 4.33Å; V144-I253 HydrophobicContact CG1-CD1 4.24Å; V144-I253 HydrophobicContact CG1-CG1 4.13Å; V144-I253 HydrophobicContact CG1-CG2 4.45Å; V144-I256 HydrophobicContact CG2-CG2 3.74Å; V144-Q257 WeakPolarHBondContact O-CG 3.27Å; V144-Q257 PolarHBondContact O-NE2 3.45Å; V144-S263 PolarHBondContact O-N 3.48Å; V144-P269 HydrophobicContact CG1-CB 3.89Å; V144-P269 HydrophobicContact CG1-CG 3.86Å
145	T	97.6	Very high	98	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.031	28%	0.282	C	S	.	.	S	Bend	trans	-135.1	174.6	-178.6	62	0	0	0	0	111.8	W141 S142 L147 I256	W141-T145 PolarHBondContact O-N 3.02Å; W141-T145 PolarHBondContact O-OG1 3.1Å; S142-T145 PolarHBondContact O-N 3.14Å; T145-L147 PolarHBondContact O-N 2.81Å; T145-L147 VanDerWaalsContact OG1-CB 3.3Å; T145-L147 WeakPolarHBondContact OG1-CB 3.05Å; T145-L147 WeakPolarHBondContact OG1-CG 3.42Å; T145-L147 PolarHBondContact OG1-N 3.48Å; T145-I256 HydrophobicContact CG2-CB 4.3Å; T145-I256 HydrophobicContact CG2-CG1 3.7Å; T145-I256 HydrophobicContact CG2-CG2 3.74Å
146	P	97.6	Very high	98	Very high	40 Å²	40	52.6 Å²	52.6	26%	0.26	29%	0.288	S	S	.	.	S	Bend	trans	-76.3	1.8	166.5	-17.7	33.1	0	0	0	114.5	Y260 G261 G262	P146-Y260 WeakPolarHBondContact CD-O 3.5Å; P146-G261 WeakPolarHBondContact CD-O 3.43Å; P146-G262 WeakPolarHBondContact CD-O 3.11Å; P146-G262 WeakPolarHBondContact CG-O 3.49Å
147	L	98.3	Very high	98	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	28%	0.277	C	S	.	.			trans	-67.3	143.3	-176.1	-64.5	172.8	0	0	0	111.4	T112 L114 S142 T145 F149 L224 Y260	T112-L147 HydrophobicContact CG2-CD2 4.33Å; T112-L147 CarbonylContact O-C 3.23Å; T112-L147 VanDerWaalsContact O-CA 3.3Å; T112-L147 WeakPolarHBondContact O-CA 3.33Å; L114-L147 HydrophobicContact CD1-CD2 4.44Å; S142-L147 WeakPolarHBondContact CB-O 3.33Å; T145-L147 PolarHBondContact O-N 2.81Å; T145-L147 VanDerWaalsContact OG1-CB 3.3Å; T145-L147 WeakPolarHBondContact OG1-CB 3.05Å; T145-L147 WeakPolarHBondContact OG1-CG 3.42Å; T145-L147 PolarHBondContact OG1-N 3.48Å; L147-F149 HydrophobicContact CB-CE2 3.88Å; L147-F149 HydrophobicContact CB-CZ 3.87Å; L147-F149 HydrophobicContact CD1-CZ 4.07Å; L147-L224 HydrophobicContact CD1-CD1 3.96Å; L147-L224 HydrophobicContact CD1-CD2 3.78Å; L147-L224 HydrophobicContact CD1-CG 4.41Å; L147-Y260 HydrophobicContact CD1-CD1 4.41Å; L147-Y260 HydrophobicContact CD1-CD2 3.78Å; L147-Y260 HydrophobicContact CD1-CE2 3.99Å; L147-Y260 HydrophobicContact CD1-CG 4Å; L147-Y260 HydrophobicContact CD2-CD1 3.68Å; L147-Y260 HydrophobicContact CD2-CE1 3.9Å; L147-Y260 HydrophobicContact CD2-CG 4.03Å; L147-Y260 HydrophobicContact CG-CD1 4.26Å; L147-Y260 HydrophobicContact CG-CD2 4.37Å; L147-Y260 HydrophobicContact CG-CG 4.08Å
148	T	98.4	Very high	98	Very high	67 Å²	67	51.2 Å²	51.2	41%	0.411	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.9	173.8	55	0	0	0	0	109.7	T112 H113 L114	T112-T148 PolarHBondContact O-N 2.96Å; H113-T148 PolarHBondContact ND1-OG1 3.25Å; L114-T148 PolarHBondContact N-O 3.04Å
149	F	98.8	Very high	98	Very high	36 Å²	36	51 Å²	51	16%	0.158	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.8	-172.2	-58.9	-80.3	0	0	0	110.9	L114 Y116 F138 L147 L224	L114-F149 HydrophobicContact CB-CD1 3.9Å; L114-F149 HydrophobicContact CB-CE1 4.02Å; L114-F149 HydrophobicContact CD1-CE1 3.79Å; L114-F149 HydrophobicContact CG-CE1 4.48Å; L114-F149 CarbonylContact O-C 3.58Å; L114-F149 VanDerWaalsContact O-CA 3.27Å; L114-F149 WeakPolarHBondContact O-CA 3.33Å; Y116-F149 HydrophobicContact CD1-CB 4.21Å; Y116-F149 HydrophobicContact CE1-CB 4.32Å; F138-F149 HydrophobicContact CB-CB 4.1Å; F138-F149 HydrophobicContact CB-CD2 3.66Å; F138-F149 HydrophobicContact CB-CE2 4.22Å; F138-F149 HydrophobicContact CB-CG 3.88Å; F138-F149 HydrophobicContact CD1-CB 4.08Å; F138-F149 AromaticContact CD1-CD1 3.24Å; F138-F149 HydrophobicContact CD1-CD1 3.24Å; F138-F149 AromaticContact CD1-CD2 3.64Å; F138-F149 HydrophobicContact CD1-CD2 3.64Å; F138-F149 AromaticContact CD1-CE1 3.39Å; F138-F149 HydrophobicContact CD1-CE1 3.39Å; F138-F149 AromaticContact CD1-CE2 3.79Å; F138-F149 HydrophobicContact CD1-CE2 3.79Å; F138-F149 AromaticContact CD1-CG 3.36Å; F138-F149 HydrophobicContact CD1-CG 3.36Å; F138-F149 AromaticContact CD1-CZ 3.67Å; F138-F149 HydrophobicContact CD1-CZ 3.67Å; F138-F149 AromaticContact CE1-CD1 3.41Å; F138-F149 HydrophobicContact CE1-CD1 3.41Å; F138-F149 VanDerWaalsContact CE1-CD1 3.41Å; F138-F149 AromaticContact CE1-CE1 3.52Å; F138-F149 HydrophobicContact CE1-CE1 3.52Å; F138-F149 AromaticContact CE1-CG 4Å; F138-F149 HydrophobicContact CE1-CG 4Å; F138-F149 HydrophobicContact CE1-CZ 4.19Å; F138-F149 HydrophobicContact CG-CB 4Å; F138-F149 HydrophobicContact CG-CD1 4.04Å; F138-F149 AromaticContact CG-CD2 3.96Å; F138-F149 HydrophobicContact CG-CD2 3.96Å; F138-F149 HydrophobicContact CG-CE2 4.45Å; F138-F149 AromaticContact CG-CG 3.72Å; F138-F149 HydrophobicContact CG-CG 3.72Å; F138-F149 HydrophobicContact CZ-CD1 4.32Å; L147-F149 HydrophobicContact CB-CE2 3.88Å; L147-F149 HydrophobicContact CB-CZ 3.87Å; L147-F149 HydrophobicContact CD1-CZ 4.07Å; F149-L224 HydrophobicContact CE1-CD2 3.95Å; F149-L224 HydrophobicContact CZ-CD1 4.02Å; F149-L224 HydrophobicContact CZ-CD2 3.88Å
150	T	98.8	Very high	98	Very high	58 Å²	58	46.3 Å²	46.3	36%	0.356	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.5	176.8	-58.7	0	0	0	0	110.3	H113 L114 T115 Y116 V152	H113-T150 PolarHBondContact CE1-OG1 3.31Å; H113-T150 PolarHBondContact NE2-OG1 3.35Å; H113-T150 VanDerWaalsContact NE2-OG1 3.09Å; L114-T150 PolarHBondContact O-N 3.36Å; T115-T150 CarbonylContact C-O 3.59Å; T115-T150 VanDerWaalsContact CA-O 3.28Å; T115-T150 WeakPolarHBondContact CA-O 2.93Å; Y116-T150 PolarHBondContact N-O 2.89Å; T150-V152 PolarHBondContact O-N 3.19Å
151	K	98.7	Very high	98	Very high	80 Å²	80	45.4 Å²	45.4	35%	0.348	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	125.4	170.1	-168.4	177	175.1	-175.9	0	109.7	Y116 Y121 D131	Y116-K151 HydrophobicContact CD1-CB 4.48Å; Y116-K151 HydrophobicContact CD2-CG 4.34Å; Y116-K151 HydrophobicContact CE1-CB 3.82Å; Y116-K151 HydrophobicContact CE2-CB 3.94Å; Y116-K151 HydrophobicContact CE2-CD 4.09Å; Y116-K151 HydrophobicContact CE2-CG 3.75Å; Y116-K151 CarbonylContact O-C 3.58Å; Y116-K151 WeakPolarHBondContact O-CA 3.38Å; Y121-K151 PolarHBondContact OH-NZ 3.14Å; D131-K151 IonicContact OD1-NZ 3.21Å; D131-K151 PolarHBondContact OD1-NZ 3.46Å; D131-K151 IonicContact OD2-NZ 2.9Å; D131-K151 PolarHBondContact OD2-NZ 3.32Å
152	V	98.6	Very high	98	Very high	40 Å²	40	45.8 Å²	45.8	24%	0.242	26%	0.262	C	S	.	.			trans	-107.9	148.9	169.8	-58.9	0	0	0	0	110.1	T115 Y116 R117 T150 A157	T115-V152 HydrophobicContact CG2-CG1 4.05Å; Y116-V152 PolarHBondContact O-N 3.27Å; R117-V152 HydrophobicContact CB-CG2 3.98Å; T150-V152 PolarHBondContact O-N 3.19Å; V152-A157 HydrophobicContact CG2-CB 3.82Å
153	S	96.4	Very high	98.1	Very high	101 Å²	101	44.4 Å²	44.4	71%	0.706	25%	0.252	S	S	*	.	S	Bend	trans	-93	-25.4	-177.6	53	0	0	0	0	113.5	R117	R117-S153 PolarHBondContact NE-O 3.43Å; R117-S153 VanDerWaalsContact NE-O 3.08Å
154	E	96.1	Very high	98.1	Very high	158 Å²	158	42.2 Å²	42.2	74%	0.738	24%	0.241	S	C	*	.	S	Bend	trans	-141.2	164.8	-172.5	-63.6	-178.7	-167.2	0	0	110.5
155	G	96.9	Very high	98.2	Very high	46 Å²	46	48.8 Å²	48.8	47%	0.474	27%	0.265	S	S	.	.	S	Bend	trans	78.2	-170.8	-178.6	0	0	0	0	0	113.8	R117	R117-G155 WeakPolarHBondContact CD-O 3.29Å; R117-G155 PolarHBondContact NH1-O 3.42Å
156	Q	97.8	Very high	98.2	Very high	149 Å²	149	49.7 Å²	49.7	70%	0.696	28%	0.276	S	S	*	.			trans	-90.1	140.1	172.9	-69.1	-67.1	-53.7	0	0	109.1
157	A	98.3	Very high	98.1	Very high	16 Å²	16	53.5 Å²	53.5	13%	0.132	29%	0.294	C	S	.	.			trans	-114.9	170.9	175.3	0	0	0	0	0	109.7	T115 R117 V152 I159 M160	T115-A157 WeakPolarHBondContact OG1-CA 3.3Å; R117-A157 HydrophobicContact CB-CB 3.91Å; V152-A157 HydrophobicContact CG2-CB 3.82Å; A157-I159 PolarHBondContact O-N 2.91Å; A157-M160 HydrophobicContact CB-SD 3.83Å; A157-M160 PolarHBondContact N-SD 3.28Å; A157-M160 VanDerWaalsContact N-SD 3.37Å
158	D	98.3	Very high	98.1	Very high	38 Å²	38	54.7 Å²	54.7	20%	0.203	30%	0.3	C	S	.	.	S	Bend	trans	-68.1	-28.3	173	-53	-82.5	0	0	0	111.5	W109 Q111 L114 T115	W109-D158 HydrophobicContact CH2-CB 4.18Å; W109-D158 WeakPolarHBondContact CH2-O 3.42Å; W109-D158 HydrophobicContact CZ2-CB 4.43Å; W109-D158 HydrophobicContact CZ3-CB 4.43Å; Q111-D158 PolarHBondContact NE2-OD1 3.44Å; L114-D158 HydrophobicContact CB-CB 4.43Å; L114-D158 HydrophobicContact CD2-CB 3.89Å; T115-D158 PolarHBondContact N-OD2 3.39Å; T115-D158 PolarHBondContact O-N 3.44Å; T115-D158 VanDerWaalsContact O-N 3.14Å; T115-D158 PolarHBondContact OG1-N 3.39Å; T115-D158 VanDerWaalsContact OG1-N 3.13Å; T115-D158 PolarHBondContact OG1-OD2 3.03Å
159	I	98.8	Very high	97.9	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	108.5	179.7	-62.8	168.5	0	0	0	109.5	T115 Y116 R117 F138 A157 I161 G193 L220	T115-I159 PolarHBondContact O-N 2.67Å; T115-I159 VanDerWaalsContact O-N 3.09Å; Y116-I159 CarbonylContact C-O 3.5Å; Y116-I159 WeakPolarHBondContact CA-O 3.07Å; Y116-I159 WeakPolarHBondContact CB-O 3.29Å; R117-I159 PolarHBondContact N-O 3.05Å; F138-I159 HydrophobicContact CE1-CD1 3.79Å; F138-I159 HydrophobicContact CZ-CD1 4.04Å; F138-I159 HydrophobicContact CZ-CG2 4.22Å; A157-I159 PolarHBondContact O-N 2.91Å; I159-I161 HydrophobicContact CG2-CD1 4.45Å; I159-I161 HydrophobicContact CG2-CG1 4.06Å; I159-G193 WeakPolarHBondContact CG2-O 3.28Å; I159-L220 HydrophobicContact CG2-CD2 3.99Å
160	M	98.8	Very high	97.6	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	134.4	171.9	-50.9	-67.2	-69.1	0	0	109.8	R117 E119 A157 D194 A195	R117-M160 HydrophobicContact CB-CE 4.26Å; R117-M160 HydrophobicContact CB-SD 3.98Å; R117-M160 HydrophobicContact CG-CE 4.38Å; E119-M160 VanDerWaalsContact CD-CE 3.44Å; E119-M160 HydrophobicContact CG-CB 4.48Å; E119-M160 HydrophobicContact CG-CE 3.55Å; E119-M160 VanDerWaalsContact OE1-CE 3.23Å; E119-M160 WeakPolarHBondContact OE1-CE 3.45Å; A157-M160 HydrophobicContact CB-SD 3.83Å; A157-M160 PolarHBondContact N-SD 3.28Å; A157-M160 VanDerWaalsContact N-SD 3.37Å; M160-D194 WeakPolarHBondContact CA-OD1 3.35Å; M160-D194 HydrophobicContact CB-CB 4.43Å; M160-D194 WeakPolarHBondContact CB-OD1 3.39Å; M160-D194 WeakPolarHBondContact CG-OD1 3.45Å; M160-D194 PolarHBondContact N-OD1 3.22Å; M160-D194 CarbonylContact O-C 3.59Å; M160-D194 VanDerWaalsContact O-CA 3.29Å; M160-D194 WeakPolarHBondContact O-CA 3.47Å; M160-A195 PolarHBondContact O-N 3.32Å
161	I	98.9	Very high	97.2	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.8	-177.9	-63.6	171.3	0	0	0	108.6	Y116 R117 I118 E119 I134 F138 I159 A195 F197 L220	Y116-I161 HydrophobicContact CD2-CD1 3.97Å; R117-I161 PolarHBondContact O-N 3.22Å; I118-I161 HydrophobicContact CG1-CB 4.29Å; I118-I161 HydrophobicContact CG1-CD1 4.43Å; I118-I161 HydrophobicContact CG1-CG2 4.41Å; E119-I161 PolarHBondContact N-O 3.19Å; I134-I161 HydrophobicContact CD1-CD1 4.39Å; I134-I161 HydrophobicContact CD1-CG2 4.4Å; I134-I161 HydrophobicContact CG1-CD1 4.49Å; I134-I161 HydrophobicContact CG2-CD1 3.47Å; I134-I161 VanDerWaalsContact CG2-CD1 3.47Å; F138-I161 HydrophobicContact CE2-CD1 4.08Å; F138-I161 HydrophobicContact CZ-CD1 4.4Å; I159-I161 HydrophobicContact CG2-CD1 4.45Å; I159-I161 HydrophobicContact CG2-CG1 4.06Å; I161-A195 WeakPolarHBondContact CA-O 3.38Å; I161-A195 HydrophobicContact CG1-CB 4.45Å; I161-F197 HydrophobicContact CG2-CD2 4.16Å; I161-F197 HydrophobicContact CG2-CE2 3.78Å; I161-L220 HydrophobicContact CD1-CD2 4.49Å
162	S	98.8	Very high	97	Very high	7 Å²	7	63.8 Å²	63.8	5%	0.049	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.4	-179.7	68	0	0	0	0	112.9	N120 A195 H196 F197	N120-S162 VanDerWaalsContact OD1-CA 3.25Å; N120-S162 WeakPolarHBondContact OD1-CA 3.42Å; N120-S162 WeakPolarHBondContact OD1-CB 3.39Å; S162-A195 PolarHBondContact N-O 2.85Å; S162-A195 VanDerWaalsContact N-O 3.15Å; S162-H196 WeakPolarHBondContact O-CA 2.8Å; S162-H196 PolarHBondContact OG-CD2 2.8Å; S162-F197 PolarHBondContact O-N 2.95Å
163	F	98.9	Very high	96.8	Very high	5 Å²	5	65.1 Å²	65.1	2%	0.022	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.8	172.9	-60.2	-101.1	0	0	0	108.8	N120 T122 V130 F197 E199 W203 L212	N120-F163 PolarHBondContact ND2-O 3.31Å; N120-F163 WeakPolarHBondContact O-CD2 3.3Å; N120-F163 PolarHBondContact OD1-N 3.13Å; T122-F163 HydrophobicContact CG2-CD1 4.11Å; T122-F163 HydrophobicContact CG2-CE1 3.73Å; T122-F163 HydrophobicContact CG2-CZ 4.05Å; V130-F163 HydrophobicContact CG1-CE2 3.98Å; V130-F163 HydrophobicContact CG1-CZ 3.92Å; F163-F197 CarbonylContact C-O 3.57Å; F163-F197 WeakPolarHBondContact CA-O 3.44Å; F163-F197 HydrophobicContact CD1-CB 3.62Å; F163-F197 HydrophobicContact CD1-CG 4.38Å; F163-F197 HydrophobicContact CE1-CB 3.87Å; F163-F197 HydrophobicContact CE1-CG 4.18Å; F163-F197 HydrophobicContact CG-CB 4.29Å; F163-E199 HydrophobicContact CB-CB 4.22Å; F163-E199 HydrophobicContact CB-CG 4.48Å; F163-E199 WeakPolarHBondContact CB-OE2 3.28Å; F163-W203 AromaticContact CD1-NE1 3.85Å; F163-W203 HydrophobicContact CE1-CG 4.37Å; F163-L212 HydrophobicContact CE1-CD1 3.86Å; F163-L212 HydrophobicContact CE1-CD2 4.31Å; F163-L212 HydrophobicContact CZ-CD1 4.01Å; F163-L212 HydrophobicContact CZ-CD2 3.98Å
164	V	98.7	Very high	96.9	Very high	30 Å²	30	60.9 Å²	60.9	18%	0.182	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	165.8	-166.9	-64	0	0	0	0	110.5	H168 F174 H196 F197 D198 E199	V164-H168 HydrophobicContact CB-CB 3.7Å; V164-H168 HydrophobicContact CG1-CB 4.24Å; V164-H168 HydrophobicContact CG2-CB 3.7Å; V164-H168 VanDerWaalsContact CG2-CD2 3.49Å; V164-H168 WeakPolarHBondContact CG2-CD2 3.43Å; V164-H168 VanDerWaalsContact CG2-CG 3.4Å; V164-F174 HydrophobicContact CG2-CD2 3.99Å; V164-F174 HydrophobicContact CG2-CE2 3.63Å; V164-H196 HydrophobicContact CG2-CB 4.07Å; V164-F197 PolarHBondContact N-O 2.82Å; V164-D198 WeakPolarHBondContact O-CA 3.45Å; V164-E199 PolarHBondContact O-N 3.35Å
165	R	98.4	Very high	96.9	Very high	142 Å²	142	57.7 Å²	57.7	54%	0.536	30%	0.3	S	S	.	.			trans	-129.8	146.7	-176.7	-61.8	-174.7	171.4	-147.7	-4.6	110.8	D167 E199 D200	R165-D167 PolarHBondContact O-N 2.98Å; R165-E199 HydrophobicContact CG-CB 3.71Å; R165-E199 HydrophobicContact CG-CG 4.41Å; R165-E199 PolarHBondContact NE-O 3.13Å; R165-E199 PolarHBondContact NH2-O 3.19Å; R165-D200 VanDerWaalsContact CD-OD1 3.3Å; R165-D200 WeakPolarHBondContact CD-OD1 3.38Å; R165-D200 IonicContact CZ-OD1 3.54Å; R165-D200 IonicContact NE-OD1 3.69Å; R165-D200 PolarHBondContact NE-OD1 3.43Å; R165-D200 IonicContact NH1-OD1 2.7Å; R165-D200 PolarHBondContact NH1-OD1 2.93Å; R165-D200 IonicContact NH2-OD1 3.31Å
166	G	97.3	Very high	96.9	Very high	24 Å²	24	56 Å²	56	25%	0.247	28%	0.282	C	S	.	.	S	Bend	trans	49.9	-133.2	172.7	0	0	0	0	0	112.5	H168 P173 F174	G166-H168 PolarHBondContact O-N 3.35Å; G166-H168 PolarHBondContact O-ND1 3.42Å; G166-P173 CarbonylContact O-C 3.59Å; G166-P173 VanDerWaalsContact O-CA 3.24Å; G166-P173 WeakPolarHBondContact O-CA 3.13Å; G166-F174 PolarHBondContact O-N 3.06Å
167	D	96.9	Very high	96.9	Very high	121 Å²	121	54.2 Å²	54.2	65%	0.647	28%	0.284	S	S	*	.			trans	-71.4	117.9	171.1	179.4	22.5	0	0	0	111.7	R165 R169 P173	R165-D167 PolarHBondContact O-N 2.98Å; D167-R169 PolarHBondContact OD1-N 3.16Å; D167-R169 VanDerWaalsContact OD1-N 3.12Å; D167-P173 HydrophobicContact CB-CB 4.32Å
168	H	97.3	Very high	96.8	Very high	28 Å²	28	54.1 Å²	54.1	13%	0.13	28%	0.284	C	S	.	.			trans	-126.3	28.6	-177.7	54.2	-84.9	0	0	0	112.7	V164 G166 D170 S172 F174 H183 H196	V164-H168 HydrophobicContact CB-CB 3.7Å; V164-H168 HydrophobicContact CG1-CB 4.24Å; V164-H168 HydrophobicContact CG2-CB 3.7Å; V164-H168 VanDerWaalsContact CG2-CD2 3.49Å; V164-H168 WeakPolarHBondContact CG2-CD2 3.43Å; V164-H168 VanDerWaalsContact CG2-CG 3.4Å; G166-H168 PolarHBondContact O-N 3.35Å; G166-H168 PolarHBondContact O-ND1 3.42Å; H168-D170 VanDerWaalsContact CD2-CG 3.47Å; H168-D170 IonicContact CD2-OD1 3.27Å; H168-D170 PolarHBondContact CD2-OD1 2.97Å; H168-D170 IonicContact CD2-OD2 3.25Å; H168-D170 PolarHBondContact CD2-OD2 3.37Å; H168-D170 IonicContact CE1-OD1 2.67Å; H168-D170 IonicContact NE2-OD1 3.67Å; H168-D170 PolarHBondContact NE2-OD1 3.09Å; H168-D170 IonicContact NE2-OD2 2.96Å; H168-D170 PolarHBondContact NE2-OD2 3.49Å; H168-D170 PolarHBondContact O-N 2.95Å; H168-S172 PolarHBondContact CE1-O 2.96Å; H168-F174 AromaticContact CE1-CD2 3.34Å; H168-F174 WeakPolarHBondContact CE1-CD2 3.45Å; H168-F174 AromaticContact CE1-CE2 3.41Å; H168-F174 VanDerWaalsContact CE1-CE2 3.41Å; H168-F174 WeakPolarHBondContact CE1-CE2 3.3Å; H168-F174 AromaticContact ND1-CD2 3.71Å; H168-F174 AromaticContact NE2-CE2 3.78Å; H168-H183 AromaticContact CE1-CE1 3.54Å; H168-H183 AromaticContact NE2-CE1 3.19Å; H168-H183 PolarHBondContact NE2-CE1 3.42Å; H168-H183 AromaticContact NE2-NE2 3.36Å; H168-H183 PolarHBondContact NE2-NE2 2.66Å; H168-H196 AromaticContact CD2-CE1 3.97Å; H168-H196 AromaticContact CD2-ND1 3.35Å; H168-H196 PolarHBondContact CD2-ND1 2.85Å; H168-H196 VanDerWaalsContact CD2-ND1 3.35Å; H168-H196 AromaticContact NE2-CG 3.98Å; H168-H196 AromaticContact NE2-ND1 3.31Å; H168-H196 PolarHBondContact NE2-ND1 3.28Å
169	R	94.3	Very high	96.7	Very high	235 Å²	235	53.8 Å²	53.8	89%	0.887	29%	0.29	S	S	*	.	S	Bend	trans	71.5	20.6	165.5	-47.4	178.2	-176.9	179	1.6	116.3	D167	D167-R169 PolarHBondContact OD1-N 3.16Å; D167-R169 VanDerWaalsContact OD1-N 3.12Å
170	D	92.2	Very high	96.6	Very high	15 Å²	15	53.9 Å²	53.9	8%	0.08	29%	0.29	C	S	.	.	S	Bend	trans	-115.8	8.5	173.7	71.3	-5.8	0	0	0	113.3	H168 S172 H183 F185 H196	H168-D170 VanDerWaalsContact CD2-CG 3.47Å; H168-D170 IonicContact CD2-OD1 3.27Å; H168-D170 PolarHBondContact CD2-OD1 2.97Å; H168-D170 IonicContact CD2-OD2 3.25Å; H168-D170 PolarHBondContact CD2-OD2 3.37Å; H168-D170 IonicContact CE1-OD1 2.67Å; H168-D170 IonicContact NE2-OD1 3.67Å; H168-D170 PolarHBondContact NE2-OD1 3.09Å; H168-D170 IonicContact NE2-OD2 2.96Å; H168-D170 PolarHBondContact NE2-OD2 3.49Å; H168-D170 PolarHBondContact O-N 2.95Å; D170-S172 PolarHBondContact O-N 3.11Å; D170-S172 PolarHBondContact OD1-N 3.27Å; D170-H183 IonicContact OD2-CD2 2.81Å; D170-H183 IonicContact OD2-CE1 3.33Å; D170-H183 PolarHBondContact OD2-CE1 3.49Å; D170-H183 IonicContact OD2-NE2 3.59Å; D170-H183 PolarHBondContact OD2-NE2 3.48Å; D170-F185 HydrophobicContact CB-CE2 4.26Å; D170-F185 HydrophobicContact CB-CZ 3.86Å; D170-F185 WeakPolarHBondContact OD2-CE2 3.27Å; D170-F185 WeakPolarHBondContact OD2-CZ 3.3Å; D170-H196 IonicContact OD2-CE1 2.6Å; D170-H196 PolarHBondContact OD2-CE1 2.91Å; D170-H196 VanDerWaalsContact OD2-CE1 3.27Å; D170-H196 IonicContact OD2-ND1 3.02Å; D170-H196 PolarHBondContact OD2-ND1 3.46Å
171	N	91.6	Very high	96.6	Very high	154 Å²	154	53.9 Å²	53.9	82%	0.824	29%	0.291	S	S	*	.	S	Bend	trans	65.2	12.7	-174.4	-54.4	-65.1	0	0	0	115.7	P173	N171-P173 VanDerWaalsContact C-CD 3.46Å; N171-P173 WeakPolarHBondContact O-CD 3.47Å
172	S	92.9	Very high	96.6	Very high	27 Å²	27	53.9 Å²	53.9	19%	0.189	29%	0.29	C	S	.	.			trans	-121.7	65.5	178.8	-58.7	0	0	0	0	110.8	H168 D170 H183	H168-S172 PolarHBondContact CE1-O 2.96Å; D170-S172 PolarHBondContact O-N 3.11Å; D170-S172 PolarHBondContact OD1-N 3.27Å; S172-H183 PolarHBondContact O-CE1 2.92Å
173	P	96.3	Very high	96.6	Very high	69 Å²	69	53.6 Å²	53.6	45%	0.448	29%	0.288	S	S	.	.			trans	-61.5	142	-173.9	27	-35.5	0	0	0	112.7	G166 D167 N171	G166-P173 CarbonylContact O-C 3.59Å; G166-P173 VanDerWaalsContact O-CA 3.24Å; G166-P173 WeakPolarHBondContact O-CA 3.13Å; D167-P173 HydrophobicContact CB-CB 4.32Å; N171-P173 VanDerWaalsContact C-CD 3.46Å; N171-P173 WeakPolarHBondContact O-CD 3.47Å
174	F	97.8	Very high	96.5	Very high	12 Å²	12	53.3 Å²	53.3	5%	0.053	29%	0.287	C	S	.	.			trans	-74.5	160.3	169.4	-73.9	-57.1	0	0	0	112.2	V164 G166 H168 N180 H183 H196 D198	V164-F174 HydrophobicContact CG2-CD2 3.99Å; V164-F174 HydrophobicContact CG2-CE2 3.63Å; G166-F174 PolarHBondContact O-N 3.06Å; H168-F174 AromaticContact CE1-CD2 3.34Å; H168-F174 WeakPolarHBondContact CE1-CD2 3.45Å; H168-F174 AromaticContact CE1-CE2 3.41Å; H168-F174 VanDerWaalsContact CE1-CE2 3.41Å; H168-F174 WeakPolarHBondContact CE1-CE2 3.3Å; H168-F174 AromaticContact ND1-CD2 3.71Å; H168-F174 AromaticContact NE2-CE2 3.78Å; F174-N180 HydrophobicContact CD1-CB 4.19Å; F174-N180 VanDerWaalsContact CD1-ND2 3.29Å; F174-N180 WeakPolarHBondContact CD1-ND2 3.14Å; F174-N180 WeakPolarHBondContact CD1-O 3.36Å; F174-N180 WeakPolarHBondContact CE1-ND2 2.81Å; F174-H183 AromaticContact CE1-ND1 3.67Å; F174-H183 AromaticContact CZ-CE1 3.76Å; F174-H183 AromaticContact CZ-ND1 3.64Å; F174-H196 HydrophobicContact CE2-CB 4.01Å; F174-H196 HydrophobicContact CZ-CB 4.04Å; F174-D198 HydrophobicContact CB-CB 4.13Å; F174-D198 WeakPolarHBondContact CB-OD2 3.36Å; F174-D198 HydrophobicContact CD1-CB 3.69Å; F174-D198 HydrophobicContact CD2-CB 3.83Å; F174-D198 HydrophobicContact CE1-CB 4.06Å; F174-D198 HydrophobicContact CE2-CB 4.16Å; F174-D198 HydrophobicContact CG-CB 3.62Å; F174-D198 HydrophobicContact CZ-CB 4.3Å
175	D	96.3	Very high	96.3	Very high	91 Å²	91	52.4 Å²	52.4	49%	0.487	28%	0.281	S	S	.	.			trans	-110.2	6.1	-169.9	47.6	12.3	0	0	0	114.6	K40 N180	K40-D175 IonicContact NZ-OD2 3.52Å; D175-N180 WeakPolarHBondContact OD1-CB 3.3Å; D175-N180 PolarHBondContact OD1-N 2.98Å; D175-N180 PolarHBondContact OD2-N 3.49Å
176	G	96.4	Very high	96.1	Very high	10 Å²	10	46.2 Å²	46.2	10%	0.103	26%	0.258	C	S	.	.	S	Bend	trans	82.3	-164.7	-175.3	0	0	0	0	0	111.2	G178	G176-G178 PolarHBondContact O-N 3.31Å
177	P	97.6	Very high	96	Very high	111 Å²	111	45.3 Å²	45.3	72%	0.721	25%	0.248	S	C	*	.	S	Bend	trans	-58.7	130.6	-167.5	-25.4	34.1	0	0	0	115.1	D200 E201	P177-D200 HydrophobicContact CG-CB 4.36Å; P177-E201 VanDerWaalsContact CA-OE1 3.28Å; P177-E201 WeakPolarHBondContact CA-OE1 3.23Å
178	G	95.9	Very high	95.8	Very high	14 Å²	14	40.2 Å²	40.2	14%	0.144	22%	0.223	C	C	.	.	S	Bend	trans	90.2	-140	-176.9	0	0	0	0	0	112.3	G176 N180 E201	G176-G178 PolarHBondContact O-N 3.31Å; G178-N180 PolarHBondContact O-N 2.98Å; G178-E201 VanDerWaalsContact N-CD 3.32Å; G178-E201 PolarHBondContact N-OE1 3.21Å; G178-E201 PolarHBondContact N-OE2 2.82Å; G178-E201 VanDerWaalsContact O-OE1 3.06Å
179	G	96	Very high	95.5	Very high	32 Å²	32	44.2 Å²	44.2	33%	0.33	25%	0.252	S	S	.	.	S	Bend	trans	48.8	-110.6	167.8	0	0	0	0	0	115.5	P90 R91	P90-G179 WeakPolarHBondContact CA-O 3.49Å; R91-G179 PolarHBondContact N-O 2.84Å
180	N	97.4	Very high	95.5	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-93.5	104.2	179.9	179.5	14.4	0	0	0	111.8	K40 G93 F174 D175 G178 A182	K40-N180 PolarHBondContact NZ-ND2 2.97Å; K40-N180 VanDerWaalsContact NZ-ND2 3.16Å; G93-N180 VanDerWaalsContact CA-CG 3.45Å; G93-N180 WeakPolarHBondContact CA-OD1 3.45Å; G93-N180 PolarHBondContact N-OD1 3.16Å; F174-N180 HydrophobicContact CD1-CB 4.19Å; F174-N180 VanDerWaalsContact CD1-ND2 3.29Å; F174-N180 WeakPolarHBondContact CD1-ND2 3.14Å; F174-N180 WeakPolarHBondContact CD1-O 3.36Å; F174-N180 WeakPolarHBondContact CE1-ND2 2.81Å; D175-N180 WeakPolarHBondContact OD1-CB 3.3Å; D175-N180 PolarHBondContact OD1-N 2.98Å; D175-N180 PolarHBondContact OD2-N 3.49Å; G178-N180 PolarHBondContact O-N 2.98Å; N180-A182 PolarHBondContact OD1-N 3.44Å; N180-A182 PolarHBondContact OD1-O 3.43Å; N180-A182 VanDerWaalsContact OD1-O 3.08Å
181	L	98.7	Very high	95.5	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	26%	0.256	C	S	.	.			trans	-76.8	-35.1	-174.3	-56.2	-178	0	0	0	114	P90 R91 D198 E201 W203 Y210 V215 Y240	P90-L181 HydrophobicContact CB-CD1 4.16Å; P90-L181 HydrophobicContact CB-CD2 3.95Å; P90-L181 HydrophobicContact CB-CG 4.15Å; R91-L181 PolarHBondContact O-N 3.45Å; L181-D198 PolarHBondContact O-N 3.16Å; L181-E201 HydrophobicContact CD2-CG 3.93Å; L181-W203 HydrophobicContact CB-CH2 4.44Å; L181-W203 WeakPolarHBondContact O-CH2 3.42Å; L181-W203 WeakPolarHBondContact O-CZ2 3.19Å; L181-Y210 HydrophobicContact CD1-CD1 3.54Å; L181-Y210 HydrophobicContact CD1-CE1 3.85Å; L181-Y210 HydrophobicContact CD1-CG 4.02Å; L181-Y210 HydrophobicContact CD2-CD1 3.89Å; L181-Y210 HydrophobicContact CD2-CD2 3.69Å; L181-Y210 HydrophobicContact CD2-CE1 3.79Å; L181-Y210 HydrophobicContact CD2-CE2 3.58Å; L181-Y210 HydrophobicContact CD2-CG 3.85Å; L181-Y210 HydrophobicContact CG-CD1 4.38Å; L181-Y210 HydrophobicContact CG-CE1 4.46Å; L181-V215 HydrophobicContact CD1-CG2 4.27Å; L181-Y240 HydrophobicContact CD1-CD2 3.84Å; L181-Y240 HydrophobicContact CD1-CG 3.91Å
182	A	98.7	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	162.9	-172.1	0	0	0	0	0	109.7	G93 N180 H196 F197 V215 E219	G93-A182 PolarHBondContact N-O 3.37Å; N180-A182 PolarHBondContact OD1-N 3.44Å; N180-A182 PolarHBondContact OD1-O 3.43Å; N180-A182 VanDerWaalsContact OD1-O 3.08Å; A182-H196 CarbonylContact C-O 3.57Å; A182-H196 WeakPolarHBondContact CA-O 3.38Å; A182-H196 VanDerWaalsContact CB-O 3.24Å; A182-H196 WeakPolarHBondContact CB-O 3.34Å; A182-F197 HydrophobicContact CB-CD1 3.92Å; A182-F197 HydrophobicContact CB-CE1 4.33Å; A182-F197 HydrophobicContact CB-CG 4.43Å; A182-V215 HydrophobicContact CB-CG1 3.57Å; A182-E219 HydrophobicContact CB-CG 3.62Å
183	H	98.4	Very high	95.9	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	161.8	164.7	59.2	-118.8	0	0	0	110.9	V94 H168 D170 S172 F174 H196 E219	V94-H183 HydrophobicContact CG2-CB 4.02Å; H168-H183 AromaticContact CE1-CE1 3.54Å; H168-H183 AromaticContact NE2-CE1 3.19Å; H168-H183 PolarHBondContact NE2-CE1 3.42Å; H168-H183 AromaticContact NE2-NE2 3.36Å; H168-H183 PolarHBondContact NE2-NE2 2.66Å; D170-H183 IonicContact OD2-CD2 2.81Å; D170-H183 IonicContact OD2-CE1 3.33Å; D170-H183 PolarHBondContact OD2-CE1 3.49Å; D170-H183 IonicContact OD2-NE2 3.59Å; D170-H183 PolarHBondContact OD2-NE2 3.48Å; S172-H183 PolarHBondContact O-CE1 2.92Å; F174-H183 AromaticContact CE1-ND1 3.67Å; F174-H183 AromaticContact CZ-CE1 3.76Å; F174-H183 AromaticContact CZ-ND1 3.64Å; H183-H196 AromaticContact CD2-ND1 3.99Å; H183-H196 PolarHBondContact N-O 2.95Å; H183-H196 AromaticContact NE2-CG 3.88Å; H183-H196 AromaticContact NE2-ND1 3.31Å; H183-H196 PolarHBondContact NE2-ND1 2.79Å; H183-H196 PolarHBondContact O-N 3.49Å; H183-E219 WeakPolarHBondContact CA-OE2 3.41Å
184	A	97.2	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153	171.3	0	0	0	0	0	112.2	V94 D194 A195 E219 H222	V94-A184 WeakPolarHBondContact CG2-O 3.24Å; A184-D194 CarbonylContact C-O 3.57Å; A184-D194 WeakPolarHBondContact CA-O 3.03Å; A184-D194 WeakPolarHBondContact CB-O 3.44Å; A184-A195 HydrophobicContact CB-CB 3.97Å; A184-E219 HydrophobicContact CB-CB 3.92Å; A184-E219 VanDerWaalsContact CB-O 3.25Å; A184-E219 WeakPolarHBondContact CB-O 3.26Å; A184-E219 PolarHBondContact N-OE2 3.45Å; A184-H222 HydrophobicContact CB-CB 3.92Å
185	F	95.2	Very high	96	Very high	10 Å²	10	27 Å²	27	4%	0.044	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-90.8	145.2	177.2	-65.3	-83.1	0	0	0	111	F100 L102 D170 I191 G193 D194 H196 S223	F100-F185 HydrophobicContact CD1-CD1 4.13Å; F100-F185 HydrophobicContact CD1-CE1 4.27Å; F100-F185 HydrophobicContact CE1-CD1 4.07Å; F100-F185 AromaticContact CE1-CE1 3.78Å; F100-F185 HydrophobicContact CE1-CE1 3.78Å; F100-F185 HydrophobicContact CE1-CZ 4.38Å; L102-F185 HydrophobicContact CD1-CB 3.96Å; L102-F185 HydrophobicContact CD1-CD1 3.82Å; L102-F185 HydrophobicContact CD1-CG 4.17Å; L102-F185 HydrophobicContact CG-CD1 4.4Å; D170-F185 HydrophobicContact CB-CE2 4.26Å; D170-F185 HydrophobicContact CB-CZ 3.86Å; D170-F185 WeakPolarHBondContact OD2-CE2 3.27Å; D170-F185 WeakPolarHBondContact OD2-CZ 3.3Å; F185-I191 VanDerWaalsContact CB-O 3.28Å; F185-I191 WeakPolarHBondContact CB-O 3.19Å; F185-I191 HydrophobicContact CD1-CD1 4.06Å; F185-I191 HydrophobicContact CD1-CG1 4.48Å; F185-I191 HydrophobicContact CD2-CD1 4.38Å; F185-I191 HydrophobicContact CE1-CD1 3.81Å; F185-I191 HydrophobicContact CE2-CD1 4.16Å; F185-I191 HydrophobicContact CG-CD1 4.34Å; F185-I191 HydrophobicContact CG-CG1 4.41Å; F185-I191 HydrophobicContact CZ-CD1 3.88Å; F185-G193 WeakPolarHBondContact O-CA 3.39Å; F185-G193 PolarHBondContact O-N 2.97Å; F185-D194 HydrophobicContact CD2-CB 4.26Å; F185-D194 PolarHBondContact N-O 3.09Å; F185-H196 AromaticContact CE2-CE1 3.92Å; F185-S223 WeakPolarHBondContact O-CA 3.22Å
186	Q	94.1	Very high	96.2	Very high	13 Å²	13	23.5 Å²	23.5	6%	0.061	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-62.3	161.6	174.3	-66.6	-68.3	-33	0	0	111.9	F100 P107 G188 G192 G193 H222 G225 L226	F100-Q186 WeakPolarHBondContact O-CG 3.28Å; P107-Q186 HydrophobicContact CB-CB 4.38Å; P107-Q186 HydrophobicContact CG-CB 3.73Å; P107-Q186 HydrophobicContact CG-CG 4.17Å; Q186-G188 PolarHBondContact O-N 3.2Å; Q186-G192 CarbonylContact O-C 3.25Å; Q186-G192 VanDerWaalsContact O-CA 3.27Å; Q186-G192 WeakPolarHBondContact O-CA 3.47Å; Q186-G193 PolarHBondContact O-N 2.85Å; Q186-H222 PolarHBondContact OE1-O 2.85Å; Q186-G225 VanDerWaalsContact OE1-C 3.29Å; Q186-L226 PolarHBondContact NE2-O 2.96Å
187	P	95.8	Very high	96.3	Very high	5 Å²	5	23 Å²	23	3%	0.032	16%	0.163	C	C	.	.	S	Bend	trans	-52.9	131.8	179.1	-28.4	35.2	0	0	0	113.5	T103 P107 W109	T103-P187 PolarHBondContact OG1-O 3.28Å; P107-P187 HydrophobicContact CB-CB 4.41Å; W109-P187 HydrophobicContact CD2-CB 3.88Å; W109-P187 HydrophobicContact CE3-CB 4.5Å; W109-P187 HydrophobicContact CG-CB 4.06Å; W109-P187 HydrophobicContact CG-CG 4.47Å; W109-P187 HydrophobicContact CZ2-CB 4.16Å
188	G	92.3	Very high	96.3	Very high	13 Å²	13	17.8 Å²	17.8	13%	0.134	13%	0.129	C	C	.	.			trans	169.9	177.9	179	0	0	0	0	0	113.9	W109 Q186 G192	W109-G188 VanDerWaalsContact CH2-O 3.31Å; W109-G188 WeakPolarHBondContact CH2-O 3.49Å; Q186-G188 PolarHBondContact O-N 3.2Å; G188-G192 CarbonylContact O-C 3.53Å; G188-G192 WeakPolarHBondContact O-CA 3.49Å
189	P	91.4	Very high	96.5	Very high	112 Å²	112	18.1 Å²	18.1	73%	0.727	13%	0.127	S	C	*	.	S	Bend	trans	-73.5	161.9	177	32	-35.8	0	0	0	112.2	I191 G192	P189-I191 PolarHBondContact O-N 2.78Å; P189-G192 PolarHBondContact O-N 3.03Å
190	G	92.6	Very high	96.6	Very high	67 Å²	67	19 Å²	19	69%	0.691	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	-115.9	175.4	0	0	0	0	0	111	G192	G190-G192 PolarHBondContact O-N 2.98Å
191	I	93.9	Very high	96.7	Very high	71 Å²	71	19.3 Å²	19.3	36%	0.364	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-2.3	177.5	66.4	172.3	0	0	0	113.2	L102 F185 P189 G193 D194	L102-I191 HydrophobicContact CD1-CD1 4.36Å; L102-I191 HydrophobicContact CD1-CG1 3.89Å; F185-I191 VanDerWaalsContact CB-O 3.28Å; F185-I191 WeakPolarHBondContact CB-O 3.19Å; F185-I191 HydrophobicContact CD1-CD1 4.06Å; F185-I191 HydrophobicContact CD1-CG1 4.48Å; F185-I191 HydrophobicContact CD2-CD1 4.38Å; F185-I191 HydrophobicContact CE1-CD1 3.81Å; F185-I191 HydrophobicContact CE2-CD1 4.16Å; F185-I191 HydrophobicContact CG-CD1 4.34Å; F185-I191 HydrophobicContact CG-CG1 4.41Å; F185-I191 HydrophobicContact CZ-CD1 3.88Å; P189-I191 PolarHBondContact O-N 2.78Å; I191-G193 PolarHBondContact O-N 2.81Å; I191-D194 WeakPolarHBondContact CA-OD2 3.26Å; I191-D194 WeakPolarHBondContact O-CB 3.48Å; I191-D194 PolarHBondContact O-N 2.87Å; I191-D194 VanDerWaalsContact O-N 3.12Å
192	G	95.2	Very high	96.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.01	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	128	178.8	0	0	0	0	0	110.7	W109 Q186 G188 P189 G190	W109-G192 WeakPolarHBondContact CH2-O 3.49Å; Q186-G192 CarbonylContact O-C 3.25Å; Q186-G192 VanDerWaalsContact O-CA 3.27Å; Q186-G192 WeakPolarHBondContact O-CA 3.47Å; G188-G192 CarbonylContact O-C 3.53Å; G188-G192 WeakPolarHBondContact O-CA 3.49Å; P189-G192 PolarHBondContact O-N 3.03Å; G190-G192 PolarHBondContact O-N 2.98Å
193	G	96.6	Very high	96.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	-22.3	-172.7	0	0	0	0	0	114.8	I159 F185 Q186 I191 S223	I159-G193 WeakPolarHBondContact CG2-O 3.28Å; F185-G193 WeakPolarHBondContact O-CA 3.39Å; F185-G193 PolarHBondContact O-N 2.97Å; Q186-G193 PolarHBondContact O-N 2.85Å; I191-G193 PolarHBondContact O-N 2.81Å; G193-S223 WeakPolarHBondContact O-CB 3.46Å; G193-S223 PolarHBondContact O-OG 2.55Å
194	D	98.5	Very high	96.7	Very high	13 Å²	13	26.7 Å²	26.7	7%	0.07	15%	0.154	C	C	.	.			trans	-63	144.4	-174.2	-68.2	-7.9	0	0	0	112	M160 A184 F185 I191	M160-D194 WeakPolarHBondContact CA-OD1 3.35Å; M160-D194 HydrophobicContact CB-CB 4.43Å; M160-D194 WeakPolarHBondContact CB-OD1 3.39Å; M160-D194 WeakPolarHBondContact CG-OD1 3.45Å; M160-D194 PolarHBondContact N-OD1 3.22Å; M160-D194 CarbonylContact O-C 3.59Å; M160-D194 VanDerWaalsContact O-CA 3.29Å; M160-D194 WeakPolarHBondContact O-CA 3.47Å; A184-D194 CarbonylContact C-O 3.57Å; A184-D194 WeakPolarHBondContact CA-O 3.03Å; A184-D194 WeakPolarHBondContact CB-O 3.44Å; F185-D194 HydrophobicContact CD2-CB 4.26Å; F185-D194 PolarHBondContact N-O 3.09Å; I191-D194 WeakPolarHBondContact CA-OD2 3.26Å; I191-D194 WeakPolarHBondContact O-CB 3.48Å; I191-D194 PolarHBondContact O-N 2.87Å; I191-D194 VanDerWaalsContact O-N 3.12Å
195	A	98.8	Very high	96.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122	179.1	0	0	0	0	0	110.5	M160 I161 S162 A184 F197 E219	M160-A195 PolarHBondContact O-N 3.32Å; I161-A195 WeakPolarHBondContact CA-O 3.38Å; I161-A195 HydrophobicContact CG1-CB 4.45Å; S162-A195 PolarHBondContact N-O 2.85Å; S162-A195 VanDerWaalsContact N-O 3.15Å; A184-A195 HydrophobicContact CB-CB 3.97Å; A195-F197 HydrophobicContact CB-CE2 4.03Å; A195-F197 HydrophobicContact CB-CZ 4.5Å; A195-E219 HydrophobicContact CB-CB 4.24Å
196	H	98.9	Very high	96.6	Very high	16 Å²	16	34.2 Å²	34.2	7%	0.074	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.8	-178.9	-60.7	162.2	0	0	0	109.9	S162 V164 H168 D170 F174 A182 H183 F185	S162-H196 WeakPolarHBondContact O-CA 2.8Å; S162-H196 PolarHBondContact OG-CD2 2.8Å; V164-H196 HydrophobicContact CG2-CB 4.07Å; H168-H196 AromaticContact CD2-CE1 3.97Å; H168-H196 AromaticContact CD2-ND1 3.35Å; H168-H196 PolarHBondContact CD2-ND1 2.85Å; H168-H196 VanDerWaalsContact CD2-ND1 3.35Å; H168-H196 AromaticContact NE2-CG 3.98Å; H168-H196 AromaticContact NE2-ND1 3.31Å; H168-H196 PolarHBondContact NE2-ND1 3.28Å; D170-H196 IonicContact OD2-CE1 2.6Å; D170-H196 PolarHBondContact OD2-CE1 2.91Å; D170-H196 VanDerWaalsContact OD2-CE1 3.27Å; D170-H196 IonicContact OD2-ND1 3.02Å; D170-H196 PolarHBondContact OD2-ND1 3.46Å; F174-H196 HydrophobicContact CE2-CB 4.01Å; F174-H196 HydrophobicContact CZ-CB 4.04Å; A182-H196 CarbonylContact C-O 3.57Å; A182-H196 WeakPolarHBondContact CA-O 3.38Å; A182-H196 VanDerWaalsContact CB-O 3.24Å; A182-H196 WeakPolarHBondContact CB-O 3.34Å; H183-H196 AromaticContact CD2-ND1 3.99Å; H183-H196 PolarHBondContact N-O 2.95Å; H183-H196 AromaticContact NE2-CG 3.88Å; H183-H196 AromaticContact NE2-ND1 3.31Å; H183-H196 PolarHBondContact NE2-ND1 2.79Å; H183-H196 PolarHBondContact O-N 3.49Å; F185-H196 AromaticContact CE2-CE1 3.92Å
197	F	98.9	Very high	96.4	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.1	178.4	-63.6	-93.7	0	0	0	109	I134 I161 S162 F163 V164 A182 A195 E199 W203 L212 V215 A216 E219	I134-F197 HydrophobicContact CD1-CZ 4.46Å; I161-F197 HydrophobicContact CG2-CD2 4.16Å; I161-F197 HydrophobicContact CG2-CE2 3.78Å; S162-F197 PolarHBondContact O-N 2.95Å; F163-F197 CarbonylContact C-O 3.57Å; F163-F197 WeakPolarHBondContact CA-O 3.44Å; F163-F197 HydrophobicContact CD1-CB 3.62Å; F163-F197 HydrophobicContact CD1-CG 4.38Å; F163-F197 HydrophobicContact CE1-CB 3.87Å; F163-F197 HydrophobicContact CE1-CG 4.18Å; F163-F197 HydrophobicContact CG-CB 4.29Å; V164-F197 PolarHBondContact N-O 2.82Å; A182-F197 HydrophobicContact CB-CD1 3.92Å; A182-F197 HydrophobicContact CB-CE1 4.33Å; A182-F197 HydrophobicContact CB-CG 4.43Å; A195-F197 HydrophobicContact CB-CE2 4.03Å; A195-F197 HydrophobicContact CB-CZ 4.5Å; F197-E199 PolarHBondContact O-N 3.25Å; F197-W203 HydrophobicContact CB-CH2 4.37Å; F197-W203 HydrophobicContact CB-CZ2 3.72Å; F197-W203 AromaticContact CD1-CH2 3.84Å; F197-W203 HydrophobicContact CD1-CH2 3.84Å; F197-W203 HydrophobicContact CD1-CZ2 4.04Å; F197-W203 HydrophobicContact CD1-CZ3 4.34Å; F197-W203 HydrophobicContact CG-CZ2 4.39Å; F197-L212 HydrophobicContact CD1-CD1 3.82Å; F197-L212 HydrophobicContact CE1-CD1 3.92Å; F197-L212 HydrophobicContact CG-CD1 4.4Å; F197-V215 HydrophobicContact CD1-CG1 4.17Å; F197-V215 HydrophobicContact CE1-CB 4.4Å; F197-V215 HydrophobicContact CE1-CG1 3.98Å; F197-A216 HydrophobicContact CE1-CB 3.82Å; F197-A216 HydrophobicContact CZ-CB 3.62Å; F197-E219 HydrophobicContact CE1-CG 4.21Å; F197-E219 HydrophobicContact CZ-CB 4.41Å; F197-E219 HydrophobicContact CZ-CG 4.33Å
198	D	98.8	Very high	96.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	119.3	178.1	-170.5	-1.2	0	0	0	110.4	V164 F174 L181 D200 E201 W203	V164-D198 WeakPolarHBondContact O-CA 3.45Å; F174-D198 HydrophobicContact CB-CB 4.13Å; F174-D198 WeakPolarHBondContact CB-OD2 3.36Å; F174-D198 HydrophobicContact CD1-CB 3.69Å; F174-D198 HydrophobicContact CD2-CB 3.83Å; F174-D198 HydrophobicContact CE1-CB 4.06Å; F174-D198 HydrophobicContact CE2-CB 4.16Å; F174-D198 HydrophobicContact CG-CB 3.62Å; F174-D198 HydrophobicContact CZ-CB 4.3Å; L181-D198 PolarHBondContact O-N 3.16Å; D198-D200 VanDerWaalsContact C-N 3.27Å; D198-D200 WeakPolarHBondContact OD1-CB 3.49Å; D198-D200 PolarHBondContact OD1-N 2.82Å; D198-E201 HydrophobicContact CB-CG 4.05Å; D198-E201 WeakPolarHBondContact O-CB 3.16Å; D198-E201 PolarHBondContact O-N 3.09Å; D198-W203 WeakPolarHBondContact O-CZ2 3.2Å; D198-W203 PolarHBondContact O-NE1 2.9Å
199	E	98.8	Very high	96.4	Very high	21 Å²	21	49.7 Å²	49.7	10%	0.098	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.3	179.4	-172	60.2	-111.2	0	0	112.7	T122 P123 F163 V164 R165 F197 E201	T122-E199 WeakPolarHBondContact CA-OE2 3.39Å; T122-E199 WeakPolarHBondContact CB-OE1 3.49Å; T122-E199 WeakPolarHBondContact CB-OE2 3.35Å; T122-E199 PolarHBondContact OG1-OE1 3.08Å; T122-E199 PolarHBondContact OG1-OE2 2.78Å; P123-E199 VanDerWaalsContact CD-OE1 3.24Å; P123-E199 WeakPolarHBondContact CD-OE1 3.39Å; F163-E199 HydrophobicContact CB-CB 4.22Å; F163-E199 HydrophobicContact CB-CG 4.48Å; F163-E199 WeakPolarHBondContact CB-OE2 3.28Å; V164-E199 PolarHBondContact O-N 3.35Å; R165-E199 HydrophobicContact CG-CB 3.71Å; R165-E199 HydrophobicContact CG-CG 4.41Å; R165-E199 PolarHBondContact NE-O 3.13Å; R165-E199 PolarHBondContact NH2-O 3.19Å; F197-E199 PolarHBondContact O-N 3.25Å; E199-E201 VanDerWaalsContact C-N 3.26Å
200	D	98.6	Very high	96.7	Very high	51 Å²	51	45.7 Å²	45.7	27%	0.273	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.7	164.3	-73.5	-38.2	0	0	0	112.2	R165 P177 D198	R165-D200 VanDerWaalsContact CD-OD1 3.3Å; R165-D200 WeakPolarHBondContact CD-OD1 3.38Å; R165-D200 IonicContact CZ-OD1 3.54Å; R165-D200 IonicContact NE-OD1 3.69Å; R165-D200 PolarHBondContact NE-OD1 3.43Å; R165-D200 IonicContact NH1-OD1 2.7Å; R165-D200 PolarHBondContact NH1-OD1 2.93Å; R165-D200 IonicContact NH2-OD1 3.31Å; P177-D200 HydrophobicContact CG-CB 4.36Å; D198-D200 VanDerWaalsContact C-N 3.27Å; D198-D200 WeakPolarHBondContact OD1-CB 3.49Å; D198-D200 PolarHBondContact OD1-N 2.82Å
201	E	98.6	Very high	97	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.037	20%	0.196	C	C	.	.	S	Bend	trans	-77.5	152.2	171.8	-60	-48.3	140.3	0	0	113.6	P177 G178 L181 D198 E199 W203 Y210	P177-E201 VanDerWaalsContact CA-OE1 3.28Å; P177-E201 WeakPolarHBondContact CA-OE1 3.23Å; G178-E201 VanDerWaalsContact N-CD 3.32Å; G178-E201 PolarHBondContact N-OE1 3.21Å; G178-E201 PolarHBondContact N-OE2 2.82Å; G178-E201 VanDerWaalsContact O-OE1 3.06Å; L181-E201 HydrophobicContact CD2-CG 3.93Å; D198-E201 HydrophobicContact CB-CG 4.05Å; D198-E201 WeakPolarHBondContact O-CB 3.16Å; D198-E201 PolarHBondContact O-N 3.09Å; E199-E201 VanDerWaalsContact C-N 3.26Å; E201-W203 HydrophobicContact CB-CZ2 4Å; E201-W203 HydrophobicContact CG-CZ2 4.3Å; E201-W203 PolarHBondContact O-N 3.14Å; E201-Y210 HydrophobicContact CB-CD2 4.23Å; E201-Y210 HydrophobicContact CG-CD2 4.3Å; E201-Y210 WeakPolarHBondContact OE2-CD2 3.3Å; E201-Y210 WeakPolarHBondContact OE2-CE2 3.2Å
202	R	98.5	Very high	97.2	Very high	147 Å²	147	39.5 Å²	39.5	56%	0.555	18%	0.178	S	C	*	.			trans	-89.8	100.1	171.3	-159.3	-177.5	100.3	-169.5	11.4	111.6	D124 Y210	D124-R202 VanDerWaalsContact OD2-CA 3.24Å; D124-R202 WeakPolarHBondContact OD2-CA 3.49Å; R202-Y210 PolarHBondContact O-N 2.97Å
203	W	98.8	Very high	97.4	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.015	19%	0.187	C	C	.	.			trans	-76.8	132.9	-178.2	-64.9	104.2	0	0	0	112.3	T122 D124 L125 F163 L181 F197 D198 E201 L212 V215	T122-W203 HydrophobicContact CG2-CB 4.14Å; T122-W203 HydrophobicContact CG2-CG 4.32Å; D124-W203 HydrophobicContact CB-CB 4.26Å; D124-W203 PolarHBondContact OD2-N 2.9Å; L125-W203 HydrophobicContact CD1-CB 4.29Å; F163-W203 AromaticContact CD1-NE1 3.85Å; F163-W203 HydrophobicContact CE1-CG 4.37Å; L181-W203 HydrophobicContact CB-CH2 4.44Å; L181-W203 WeakPolarHBondContact O-CH2 3.42Å; L181-W203 WeakPolarHBondContact O-CZ2 3.19Å; F197-W203 HydrophobicContact CB-CH2 4.37Å; F197-W203 HydrophobicContact CB-CZ2 3.72Å; F197-W203 AromaticContact CD1-CH2 3.84Å; F197-W203 HydrophobicContact CD1-CH2 3.84Å; F197-W203 HydrophobicContact CD1-CZ2 4.04Å; F197-W203 HydrophobicContact CD1-CZ3 4.34Å; F197-W203 HydrophobicContact CG-CZ2 4.39Å; D198-W203 WeakPolarHBondContact O-CZ2 3.2Å; D198-W203 PolarHBondContact O-NE1 2.9Å; E201-W203 HydrophobicContact CB-CZ2 4Å; E201-W203 HydrophobicContact CG-CZ2 4.3Å; E201-W203 PolarHBondContact O-N 3.14Å; W203-L212 HydrophobicContact CD2-CD1 4.11Å; W203-L212 HydrophobicContact CE3-CB 3.96Å; W203-L212 HydrophobicContact CE3-CD1 3.84Å; W203-L212 HydrophobicContact CZ3-CD1 4.23Å; W203-V215 HydrophobicContact CH2-CB 4.22Å; W203-V215 HydrophobicContact CH2-CG1 4.01Å; W203-V215 HydrophobicContact CH2-CG2 4.31Å; W203-V215 HydrophobicContact CZ3-CB 3.85Å; W203-V215 HydrophobicContact CZ3-CG1 4.16Å; W203-V215 HydrophobicContact CZ3-CG2 3.8Å
204	T	98.4	Very high	97.5	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.043	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-129.9	163.3	-179.2	95.9	0	0	0	0	112.7	N206 R208 Y210 N211 L212	T204-N206 PolarHBondContact OG1-N 3.27Å; T204-N206 PolarHBondContact OG1-O 2.93Å; T204-R208 HydrophobicContact CG2-CB 4.06Å; T204-R208 PolarHBondContact OG1-O 3.07Å; T204-Y210 PolarHBondContact N-O 3.27Å; T204-N211 WeakPolarHBondContact O-CA 3.25Å; T204-L212 PolarHBondContact O-N 2.99Å
205	N	96.7	Very high	97.5	Very high	107 Å²	107	42.3 Å²	42.3	57%	0.572	19%	0.189	S	C	*	.	S	Bend	trans	-112.8	16.5	174.5	65.9	-2	0	0	0	112.6	L125	L125-N205 HydrophobicContact CD2-CB 4.15Å
206	N	94	Very high	97.5	Very high	62 Å²	62	42.3 Å²	42.3	33%	0.332	19%	0.189	S	C	.	.	S	Bend	trans	-135.2	-162.5	-178.4	62.9	58.3	0	0	0	110.7	T204 R208 N211	T204-N206 PolarHBondContact OG1-N 3.27Å; T204-N206 PolarHBondContact OG1-O 2.93Å; N206-R208 PolarHBondContact O-N 3.02Å; N206-R208 VanDerWaalsContact OD1-CB 3.24Å; N206-R208 WeakPolarHBondContact OD1-CB 3.15Å; N206-R208 VanDerWaalsContact OD1-CG 3.27Å; N206-R208 WeakPolarHBondContact OD1-CG 3.17Å; N206-R208 PolarHBondContact OD1-N 3.3Å; N206-N211 PolarHBondContact N-ND2 2.74Å; N206-N211 PolarHBondContact O-ND2 2.75Å
207	F	90.2	Very high	97.5	Very high	97 Å²	97	41.5 Å²	41.5	43%	0.425	19%	0.185	S	C	.	.	S	Bend	trans	-73.6	-8.9	-176.6	69.5	-91.9	0	0	0	114.7	F242	F207-F242 VanDerWaalsContact CA-CE1 3.43Å; F207-F242 HydrophobicContact CB-CD1 4.06Å; F207-F242 HydrophobicContact CB-CE1 3.71Å
208	R	93.1	Very high	97.5	Very high	138 Å²	138	41.7 Å²	41.7	52%	0.521	19%	0.186	S	C	.	.	S	Bend	trans	-73.2	143.4	177.9	-66.2	178	-176.8	-86.8	2.6	109.9	T204 N206	T204-R208 HydrophobicContact CG2-CB 4.06Å; T204-R208 PolarHBondContact OG1-O 3.07Å; N206-R208 PolarHBondContact O-N 3.02Å; N206-R208 VanDerWaalsContact OD1-CB 3.24Å; N206-R208 WeakPolarHBondContact OD1-CB 3.15Å; N206-R208 VanDerWaalsContact OD1-CG 3.27Å; N206-R208 WeakPolarHBondContact OD1-CG 3.17Å; N206-R208 PolarHBondContact OD1-N 3.3Å
209	E	94.6	Very high	97.5	Very high	120 Å²	120	41.8 Å²	41.8	56%	0.561	19%	0.186	S	C	*	.	S	Bend	trans	-67.7	133.8	176.8	-59.1	-176.9	154.8	0	0	109.8	Y240	E209-Y240 HydrophobicContact CG-CE1 3.94Å
210	Y	98.1	Very high	97.5	Very high	28 Å²	28	40.8 Å²	40.8	11%	0.11	18%	0.182	C	C	.	.			cis	-108.6	131.5	-4.3	-61.9	-75.5	0	0	0	111.5	P90 L181 E201 R202 T204 L212 Y240	P90-Y210 HydrophobicContact CB-CE1 3.65Å; P90-Y210 WeakPolarHBondContact CB-OH 3.37Å; P90-Y210 HydrophobicContact CG-CE1 3.62Å; P90-Y210 WeakPolarHBondContact CG-OH 3.29Å; L181-Y210 HydrophobicContact CD1-CD1 3.54Å; L181-Y210 HydrophobicContact CD1-CE1 3.85Å; L181-Y210 HydrophobicContact CD1-CG 4.02Å; L181-Y210 HydrophobicContact CD2-CD1 3.89Å; L181-Y210 HydrophobicContact CD2-CD2 3.69Å; L181-Y210 HydrophobicContact CD2-CE1 3.79Å; L181-Y210 HydrophobicContact CD2-CE2 3.58Å; L181-Y210 HydrophobicContact CD2-CG 3.85Å; L181-Y210 HydrophobicContact CG-CD1 4.38Å; L181-Y210 HydrophobicContact CG-CE1 4.46Å; E201-Y210 HydrophobicContact CB-CD2 4.23Å; E201-Y210 HydrophobicContact CG-CD2 4.3Å; E201-Y210 WeakPolarHBondContact OE2-CD2 3.3Å; E201-Y210 WeakPolarHBondContact OE2-CE2 3.2Å; R202-Y210 PolarHBondContact O-N 2.97Å; T204-Y210 PolarHBondContact N-O 3.27Å; Y210-L212 PolarHBondContact O-N 3.25Å; Y210-Y240 AromaticContact CD1-CD1 3.79Å; Y210-Y240 HydrophobicContact CD1-CD1 3.79Å; Y210-Y240 HydrophobicContact CD1-CD2 4Å; Y210-Y240 AromaticContact CD1-CE1 3.86Å; Y210-Y240 HydrophobicContact CD1-CE1 3.86Å; Y210-Y240 HydrophobicContact CD1-CE2 4.05Å; Y210-Y240 AromaticContact CD1-CG 3.86Å; Y210-Y240 HydrophobicContact CD1-CG 3.86Å; Y210-Y240 AromaticContact CD1-CZ 3.97Å; Y210-Y240 AromaticContact CE1-CD1 3.99Å; Y210-Y240 HydrophobicContact CE1-CD1 3.99Å; Y210-Y240 HydrophobicContact CE1-CE1 4.35Å; Y210-Y240 HydrophobicContact CE1-CG 4.22Å
211	N	98.6	Very high	97.5	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.043	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-77.4	115.1	-177.7	-175.8	-80.3	0	0	0	111	T204 N206 Y213 R214 V215 Y240 F242	T204-N211 WeakPolarHBondContact O-CA 3.25Å; N206-N211 PolarHBondContact N-ND2 2.74Å; N206-N211 PolarHBondContact O-ND2 2.75Å; N211-Y213 VanDerWaalsContact C-N 3.34Å; N211-Y213 PolarHBondContact O-N 3.03Å; N211-Y213 WeakPolarHBondContact OD1-CB 3.45Å; N211-Y213 PolarHBondContact OD1-N 3.17Å; N211-R214 HydrophobicContact CB-CB 4.04Å; N211-R214 WeakPolarHBondContact O-CB 3.31Å; N211-R214 PolarHBondContact O-N 2.89Å; N211-R214 VanDerWaalsContact O-N 3.13Å; N211-R214 PolarHBondContact OD1-N 2.98Å; N211-V215 PolarHBondContact O-N 2.88Å; N211-V215 VanDerWaalsContact O-N 3.12Å; N211-Y240 PolarHBondContact N-OH 2.89Å; N211-F242 HydrophobicContact CB-CD2 3.81Å; N211-F242 HydrophobicContact CB-CE2 3.74Å
212	L	98.8	Very high	97.4	Very high	1 Å²	1	38 Å²	38	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-41.5	-175	177.5	61	0	0	0	112.5	L125 V130 A133 F163 F197 W203 T204 Y210 R214 V215 A216	L125-L212 HydrophobicContact CD1-CB 4.28Å; L125-L212 HydrophobicContact CD1-CD2 4.11Å; V130-L212 HydrophobicContact CB-CD2 4.25Å; V130-L212 HydrophobicContact CG1-CD2 4.08Å; V130-L212 HydrophobicContact CG2-CD2 4.02Å; A133-L212 HydrophobicContact CB-CB 4.47Å; A133-L212 HydrophobicContact CB-CD2 4.11Å; A133-L212 HydrophobicContact CB-CG 4.12Å; F163-L212 HydrophobicContact CE1-CD1 3.86Å; F163-L212 HydrophobicContact CE1-CD2 4.31Å; F163-L212 HydrophobicContact CZ-CD1 4.01Å; F163-L212 HydrophobicContact CZ-CD2 3.98Å; F197-L212 HydrophobicContact CD1-CD1 3.82Å; F197-L212 HydrophobicContact CE1-CD1 3.92Å; F197-L212 HydrophobicContact CG-CD1 4.4Å; W203-L212 HydrophobicContact CD2-CD1 4.11Å; W203-L212 HydrophobicContact CE3-CB 3.96Å; W203-L212 HydrophobicContact CE3-CD1 3.84Å; W203-L212 HydrophobicContact CZ3-CD1 4.23Å; T204-L212 PolarHBondContact O-N 2.99Å; Y210-L212 PolarHBondContact O-N 3.25Å; L212-R214 VanDerWaalsContact C-N 3.32Å; L212-R214 PolarHBondContact O-N 3.46Å; L212-V215 PolarHBondContact O-N 3.45Å; L212-A216 WeakPolarHBondContact O-CB 3.45Å; L212-A216 PolarHBondContact O-N 2.91Å
213	Y	98.7	Very high	97.4	Very high	49 Å²	49	31 Å²	31	19%	0.192	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-40.1	178.3	167.4	-136.2	0	0	0	111.6	A133 K136 A137 L140 N211 A217 V246	A133-Y213 WeakPolarHBondContact O-CD2 3.33Å; K136-Y213 VanDerWaalsContact C-CE2 3.47Å; K136-Y213 HydrophobicContact CB-CD2 3.83Å; K136-Y213 HydrophobicContact CB-CE2 3.5Å; A137-Y213 HydrophobicContact CB-CD2 4.11Å; A137-Y213 HydrophobicContact CB-CE2 4.31Å; L140-Y213 HydrophobicContact CD1-CE2 3.84Å; L140-Y213 WeakPolarHBondContact CD1-OH 3.46Å; L140-Y213 WeakPolarHBondContact CD2-OH 3.49Å; L140-Y213 HydrophobicContact CG-CE2 4.33Å; L140-Y213 WeakPolarHBondContact CG-OH 3.24Å; N211-Y213 VanDerWaalsContact C-N 3.34Å; N211-Y213 PolarHBondContact O-N 3.03Å; N211-Y213 WeakPolarHBondContact OD1-CB 3.45Å; N211-Y213 PolarHBondContact OD1-N 3.17Å; Y213-A217 VanDerWaalsContact O-CB 3.23Å; Y213-A217 WeakPolarHBondContact O-CB 3.46Å; Y213-A217 PolarHBondContact O-N 3.18Å; Y213-V246 HydrophobicContact CD1-CB 3.95Å; Y213-V246 HydrophobicContact CD1-CG2 3.69Å; Y213-V246 HydrophobicContact CE1-CB 3.45Å; Y213-V246 VanDerWaalsContact CE1-CB 3.45Å; Y213-V246 HydrophobicContact CE1-CG1 4.29Å; Y213-V246 HydrophobicContact CE1-CG2 3.72Å; Y213-V246 HydrophobicContact CG-CG2 4.46Å; Y213-V246 PolarHBondContact OH-O 3.36Å
214	R	98.6	Very high	97.4	Very high	17 Å²	17	30.8 Å²	30.8	6%	0.064	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-44.1	177.1	171.1	59	-175.2	89.1	-6.1	112.7	N211 L212 L235 Y240 T241 F242 V246	N211-R214 HydrophobicContact CB-CB 4.04Å; N211-R214 WeakPolarHBondContact O-CB 3.31Å; N211-R214 PolarHBondContact O-N 2.89Å; N211-R214 VanDerWaalsContact O-N 3.13Å; N211-R214 PolarHBondContact OD1-N 2.98Å; L212-R214 VanDerWaalsContact C-N 3.32Å; L212-R214 PolarHBondContact O-N 3.46Å; R214-L235 VanDerWaalsContact NH1-CD1 3.29Å; R214-L235 PolarHBondContact NH1-O 2.92Å; R214-L235 PolarHBondContact NH2-O 3.11Å; R214-L235 VanDerWaalsContact NH2-O 3.14Å; R214-Y240 HydrophobicContact CB-CE2 4.44Å; R214-Y240 HydrophobicContact CG-CD2 4.45Å; R214-Y240 HydrophobicContact CG-CE2 3.95Å; R214-T241 PolarHBondContact NE-O 3.34Å; R214-T241 PolarHBondContact NH2-OG1 3.45Å; R214-F242 HydrophobicContact CB-CD2 4.05Å; R214-F242 HydrophobicContact CB-CE2 4.41Å; R214-F242 HydrophobicContact CG-CD2 4.25Å; R214-V246 HydrophobicContact CB-CG2 3.89Å
215	V	98.8	Very high	97.2	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.036	15%	0.145	C	C	.	.	H	α-helix	trans	-72.3	-46.9	-179.7	-179.8	0	0	0	0	109.8	L181 A182 F197 W203 N211 L212 A217 H218 E219 Y240	L181-V215 HydrophobicContact CD1-CG2 4.27Å; A182-V215 HydrophobicContact CB-CG1 3.57Å; F197-V215 HydrophobicContact CD1-CG1 4.17Å; F197-V215 HydrophobicContact CE1-CB 4.4Å; F197-V215 HydrophobicContact CE1-CG1 3.98Å; W203-V215 HydrophobicContact CH2-CB 4.22Å; W203-V215 HydrophobicContact CH2-CG1 4.01Å; W203-V215 HydrophobicContact CH2-CG2 4.31Å; W203-V215 HydrophobicContact CZ3-CB 3.85Å; W203-V215 HydrophobicContact CZ3-CG1 4.16Å; W203-V215 HydrophobicContact CZ3-CG2 3.8Å; N211-V215 PolarHBondContact O-N 2.88Å; N211-V215 VanDerWaalsContact O-N 3.12Å; L212-V215 PolarHBondContact O-N 3.45Å; V215-A217 VanDerWaalsContact C-N 3.28Å; V215-A217 PolarHBondContact O-N 2.95Å; V215-H218 WeakPolarHBondContact O-CA 3.37Å; V215-H218 WeakPolarHBondContact O-CB 3.4Å; V215-H218 PolarHBondContact O-N 3.43Å; V215-E219 HydrophobicContact CG1-CG 4.09Å; V215-E219 WeakPolarHBondContact O-CG 3.4Å; V215-E219 PolarHBondContact O-N 3.15Å; V215-Y240 HydrophobicContact CG2-CD2 3.8Å; V215-Y240 HydrophobicContact CG2-CE2 3.85Å
216	A	98.9	Very high	97.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.4	-38.3	178.3	0	0	0	0	0	113	I134 A137 F197 L212 H218 E219 L220	I134-A216 HydrophobicContact CD1-CB 3.56Å; A137-A216 HydrophobicContact CB-CB 4.06Å; F197-A216 HydrophobicContact CE1-CB 3.82Å; F197-A216 HydrophobicContact CZ-CB 3.62Å; L212-A216 WeakPolarHBondContact O-CB 3.45Å; L212-A216 PolarHBondContact O-N 2.91Å; A216-H218 VanDerWaalsContact C-N 3.26Å; A216-H218 PolarHBondContact O-N 3.38Å; A216-E219 PolarHBondContact O-N 3.38Å; A216-L220 VanDerWaalsContact O-CB 3.28Å; A216-L220 WeakPolarHBondContact O-CB 3.33Å; A216-L220 WeakPolarHBondContact O-CG 3.28Å; A216-L220 PolarHBondContact O-N 3.46Å
217	A	98.8	Very high	97.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-36.9	175.3	0	0	0	0	0	112.4	A137 L140 W141 Y213 V215 G221 L235 V246	A137-A217 HydrophobicContact CB-CB 4.01Å; L140-A217 HydrophobicContact CD1-CB 3.73Å; W141-A217 VanDerWaalsContact CZ2-O 3.3Å; W141-A217 WeakPolarHBondContact CZ2-O 3.37Å; W141-A217 PolarHBondContact NE1-O 3.27Å; Y213-A217 VanDerWaalsContact O-CB 3.23Å; Y213-A217 WeakPolarHBondContact O-CB 3.46Å; Y213-A217 PolarHBondContact O-N 3.18Å; V215-A217 VanDerWaalsContact C-N 3.28Å; V215-A217 PolarHBondContact O-N 2.95Å; A217-G221 PolarHBondContact O-N 3Å; A217-L235 HydrophobicContact CB-CD1 4.05Å; A217-L235 HydrophobicContact CB-CD2 3.61Å; A217-L235 HydrophobicContact CB-CG 4.37Å; A217-V246 HydrophobicContact CB-CG1 4.34Å
218	H	98.8	Very high	97.4	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.019	12%	0.119	C	C	.	.	H	α-helix	trans	-70.5	-51.8	175.7	177.3	107.5	0	0	0	111.8	C92 V215 A216 L220 G221 H222 H228 L235 M236 Y237	C92-H218 WeakPolarHBondContact CB-NE2 3.28Å; V215-H218 WeakPolarHBondContact O-CA 3.37Å; V215-H218 WeakPolarHBondContact O-CB 3.4Å; V215-H218 PolarHBondContact O-N 3.43Å; A216-H218 VanDerWaalsContact C-N 3.26Å; A216-H218 PolarHBondContact O-N 3.38Å; H218-L220 VanDerWaalsContact C-N 3.26Å; H218-L220 PolarHBondContact O-N 3.32Å; H218-G221 WeakPolarHBondContact O-CA 3.31Å; H218-G221 PolarHBondContact O-N 2.86Å; H218-H222 AromaticContact CD2-CD2 3.95Å; H218-H222 AromaticContact CD2-NE2 3.79Å; H218-H222 AromaticContact NE2-CD2 3.91Å; H218-H222 AromaticContact NE2-NE2 3.27Å; H218-H222 PolarHBondContact NE2-NE2 2.74Å; H218-H222 PolarHBondContact O-N 3.45Å; H218-H228 AromaticContact CE1-CD2 3.48Å; H218-H228 PolarHBondContact CE1-CD2 3.37Å; H218-H228 VanDerWaalsContact CE1-CD2 3.48Å; H218-H228 AromaticContact CE1-NE2 3.56Å; H218-H228 AromaticContact NE2-CD2 3.46Å; H218-H228 PolarHBondContact NE2-CD2 3.21Å; H218-H228 AromaticContact NE2-NE2 3.14Å; H218-H228 PolarHBondContact NE2-NE2 3.4Å; H218-H228 VanDerWaalsContact NE2-NE2 3.14Å; H218-L235 HydrophobicContact CB-CG 4.43Å; H218-L235 PolarHBondContact ND1-O 3.41Å; H218-M236 WeakPolarHBondContact ND1-CA 3.32Å; H218-M236 WeakPolarHBondContact O-CE 3.44Å; H218-M236 VanDerWaalsContact O-SD 3.36Å; H218-Y237 PolarHBondContact CE1-O 3.23Å; H218-Y237 PolarHBondContact ND1-O 3.07Å
219	E	98.8	Very high	97.5	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	10%	0.099	C	C	.	.	H	α-helix	trans	-59.7	-39.8	-179	-58.7	-45	138.9	0	0	111.6	C92 A182 H183 A184 A195 F197 V215 A216 G221 H222 S223	C92-E219 PolarHBondContact SG-OE1 2.92Å; C92-E219 VanDerWaalsContact SG-OE1 3.35Å; C92-E219 PolarHBondContact SG-OE2 2.96Å; A182-E219 HydrophobicContact CB-CG 3.62Å; H183-E219 WeakPolarHBondContact CA-OE2 3.41Å; A184-E219 HydrophobicContact CB-CB 3.92Å; A184-E219 VanDerWaalsContact CB-O 3.25Å; A184-E219 WeakPolarHBondContact CB-O 3.26Å; A184-E219 PolarHBondContact N-OE2 3.45Å; A195-E219 HydrophobicContact CB-CB 4.24Å; F197-E219 HydrophobicContact CE1-CG 4.21Å; F197-E219 HydrophobicContact CZ-CB 4.41Å; F197-E219 HydrophobicContact CZ-CG 4.33Å; V215-E219 HydrophobicContact CG1-CG 4.09Å; V215-E219 WeakPolarHBondContact O-CG 3.4Å; V215-E219 PolarHBondContact O-N 3.15Å; A216-E219 PolarHBondContact O-N 3.38Å; E219-G221 PolarHBondContact O-N 3.46Å; E219-H222 WeakPolarHBondContact O-CA 3.07Å; E219-H222 VanDerWaalsContact O-CB 3.31Å; E219-H222 WeakPolarHBondContact O-CB 3.47Å; E219-H222 PolarHBondContact O-N 3.43Å; E219-H222 IonicContact OE2-CD2 3.32Å; E219-S223 PolarHBondContact O-N 3.47Å; E219-S223 PolarHBondContact O-OG 3.48Å
220	L	98.8	Very high	97.6	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-66.9	-21	175.3	-66.9	176.5	0	0	0	113	A137 F138 I159 I161 A216 H218 S223 L224	A137-L220 HydrophobicContact CB-CD1 3.72Å; F138-L220 HydrophobicContact CD1-CD1 3.81Å; F138-L220 HydrophobicContact CD2-CD1 3.82Å; F138-L220 HydrophobicContact CE1-CD1 3.72Å; F138-L220 HydrophobicContact CE1-CD2 3.62Å; F138-L220 HydrophobicContact CE1-CG 4.15Å; F138-L220 HydrophobicContact CE2-CD1 3.71Å; F138-L220 HydrophobicContact CE2-CD2 4.13Å; F138-L220 HydrophobicContact CG-CD1 3.87Å; F138-L220 HydrophobicContact CZ-CD1 3.67Å; F138-L220 HydrophobicContact CZ-CD2 3.39Å; F138-L220 HydrophobicContact CZ-CG 4.15Å; I159-L220 HydrophobicContact CG2-CD2 3.99Å; I161-L220 HydrophobicContact CD1-CD2 4.49Å; A216-L220 VanDerWaalsContact O-CB 3.28Å; A216-L220 WeakPolarHBondContact O-CB 3.33Å; A216-L220 WeakPolarHBondContact O-CG 3.28Å; A216-L220 PolarHBondContact O-N 3.46Å; H218-L220 VanDerWaalsContact C-N 3.26Å; H218-L220 PolarHBondContact O-N 3.32Å; L220-S223 PolarHBondContact O-N 2.77Å; L220-L224 WeakPolarHBondContact O-CB 3.42Å; L220-L224 WeakPolarHBondContact O-CD1 3.13Å; L220-L224 WeakPolarHBondContact O-CG 3.49Å; L220-L224 PolarHBondContact O-N 3.03Å; L220-L224 VanDerWaalsContact O-N 3.15Å
221	G	98.4	Very high	97.5	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.2	-41.7	167.6	0	0	0	0	0	111.7	A217 H218 E219 L224 G225 L226	A217-G221 PolarHBondContact O-N 3Å; H218-G221 WeakPolarHBondContact O-CA 3.31Å; H218-G221 PolarHBondContact O-N 2.86Å; E219-G221 PolarHBondContact O-N 3.46Å; G221-L224 CarbonylContact O-C 3.58Å; G221-L224 PolarHBondContact O-N 3.49Å; G221-G225 PolarHBondContact O-N 2.94Å; G221-L226 VanDerWaalsContact O-CB 3.3Å; G221-L226 WeakPolarHBondContact O-CB 3.4Å; G221-L226 PolarHBondContact O-N 3.17Å
222	H	97.5	Very high	97.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.7	-44.8	171.7	-66.1	-48.2	0	0	0	112.2	A184 Q186 H218 E219 L224 G225 L226 H228 M236	A184-H222 HydrophobicContact CB-CB 3.92Å; Q186-H222 PolarHBondContact OE1-O 2.85Å; H218-H222 AromaticContact CD2-CD2 3.95Å; H218-H222 AromaticContact CD2-NE2 3.79Å; H218-H222 AromaticContact NE2-CD2 3.91Å; H218-H222 AromaticContact NE2-NE2 3.27Å; H218-H222 PolarHBondContact NE2-NE2 2.74Å; H218-H222 PolarHBondContact O-N 3.45Å; E219-H222 WeakPolarHBondContact O-CA 3.07Å; E219-H222 VanDerWaalsContact O-CB 3.31Å; E219-H222 WeakPolarHBondContact O-CB 3.47Å; E219-H222 PolarHBondContact O-N 3.43Å; E219-H222 IonicContact OE2-CD2 3.32Å; H222-L224 PolarHBondContact O-N 3.37Å; H222-G225 PolarHBondContact O-N 3.45Å; H222-L226 PolarHBondContact ND1-O 2.84Å; H222-H228 AromaticContact CE1-CD2 3.45Å; H222-H228 PolarHBondContact CE1-CD2 2.81Å; H222-H228 VanDerWaalsContact CE1-CD2 3.45Å; H222-H228 AromaticContact CE1-NE2 3.66Å; H222-H228 AromaticContact NE2-CD2 3.43Å; H222-H228 PolarHBondContact NE2-CD2 2.92Å; H222-H228 AromaticContact NE2-NE2 3.19Å; H222-H228 PolarHBondContact NE2-NE2 3.22Å; H222-H228 VanDerWaalsContact NE2-NE2 3.19Å; H222-M236 WeakPolarHBondContact CE1-CE 3.23Å; H222-M236 WeakPolarHBondContact ND1-CE 3.4Å
223	S	98.1	Very high	97.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-55.4	-20.8	173.6	-55.2	0	0	0	0	113	W109 F185 G193 E219 L220	W109-S223 PolarHBondContact NE1-O 2.55Å; F185-S223 WeakPolarHBondContact O-CA 3.22Å; G193-S223 WeakPolarHBondContact O-CB 3.46Å; G193-S223 PolarHBondContact O-OG 2.55Å; E219-S223 PolarHBondContact O-N 3.47Å; E219-S223 PolarHBondContact O-OG 3.48Å; L220-S223 PolarHBondContact O-N 2.77Å
224	L	97.6	Very high	97.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-2.2	178.9	-67.4	175	0	0	0	114.4	L114 W141 L147 F149 L220 G221 H222 I256 Y260	L114-L224 HydrophobicContact CD1-CD2 3.72Å; W141-L224 HydrophobicContact CB-CD1 3.67Å; W141-L224 HydrophobicContact CD2-CD1 4.17Å; W141-L224 HydrophobicContact CG-CD1 3.62Å; L147-L224 HydrophobicContact CD1-CD1 3.96Å; L147-L224 HydrophobicContact CD1-CD2 3.78Å; L147-L224 HydrophobicContact CD1-CG 4.41Å; F149-L224 HydrophobicContact CE1-CD2 3.95Å; F149-L224 HydrophobicContact CZ-CD1 4.02Å; F149-L224 HydrophobicContact CZ-CD2 3.88Å; L220-L224 WeakPolarHBondContact O-CB 3.42Å; L220-L224 WeakPolarHBondContact O-CD1 3.13Å; L220-L224 WeakPolarHBondContact O-CG 3.49Å; L220-L224 PolarHBondContact O-N 3.03Å; L220-L224 VanDerWaalsContact O-N 3.15Å; G221-L224 CarbonylContact O-C 3.58Å; G221-L224 PolarHBondContact O-N 3.49Å; H222-L224 PolarHBondContact O-N 3.37Å; L224-I256 HydrophobicContact CB-CD1 3.81Å; L224-I256 HydrophobicContact CD1-CD1 4.15Å; L224-Y260 HydrophobicContact CB-CE2 4.22Å; L224-Y260 WeakPolarHBondContact O-CE2 3.32Å; L224-Y260 VanDerWaalsContact O-CZ 3.3Å; L224-Y260 PolarHBondContact O-OH 3.13Å
225	G	94.9	Very high	97.2	Very high	15 Å²	15	15 Å²	15	16%	0.155	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.4	0.7	176.6	0	0	0	0	0	115.1	P107 Q186 G221 H222	P107-G225 WeakPolarHBondContact O-CA 3.43Å; Q186-G225 VanDerWaalsContact OE1-C 3.29Å; G221-G225 PolarHBondContact O-N 2.94Å; H222-G225 PolarHBondContact O-N 3.45Å
226	L	95.3	Very high	97.2	Very high	15 Å²	15	14.9 Å²	14.9	8%	0.079	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-80.2	145.9	178.8	-61.8	175.1	0	0	0	111.1	W141 Q186 G221 H222 M236 I256 I259	W141-L226 HydrophobicContact CE3-CD1 4.39Å; W141-L226 HydrophobicContact CH2-CD1 3.36Å; W141-L226 HydrophobicContact CZ2-CD1 4.18Å; W141-L226 HydrophobicContact CZ3-CD1 3.5Å; W141-L226 VanDerWaalsContact CZ3-CD1 3.5Å; Q186-L226 PolarHBondContact NE2-O 2.96Å; G221-L226 VanDerWaalsContact O-CB 3.3Å; G221-L226 WeakPolarHBondContact O-CB 3.4Å; G221-L226 PolarHBondContact O-N 3.17Å; H222-L226 PolarHBondContact ND1-O 2.84Å; L226-M236 HydrophobicContact CB-CE 4.03Å; L226-M236 HydrophobicContact CB-CG 4.25Å; L226-M236 HydrophobicContact CB-SD 4.4Å; L226-M236 HydrophobicContact CD1-CG 3.89Å; L226-M236 HydrophobicContact CD1-SD 4.24Å; L226-I256 HydrophobicContact CD1-CB 4.24Å; L226-I256 HydrophobicContact CD1-CD1 4.02Å; L226-I256 HydrophobicContact CD2-CB 4.47Å; L226-I256 HydrophobicContact CD2-CD1 4.36Å; L226-I256 HydrophobicContact CG-CD1 4.04Å; L226-I259 HydrophobicContact CD2-CD1 3.8Å; L226-I259 HydrophobicContact CG-CD1 4.45Å
227	A	93.8	Very high	97.1	Very high	73 Å²	73	15.6 Å²	15.6	60%	0.603	10%	0.1	S	C	*	.	P	Polyproline II helix	trans	-98.2	172.5	167.2	0	0	0	0	0	110.1
228	H	96.2	Very high	97.1	Very high	21 Å²	21	15.7 Å²	15.7	10%	0.097	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-60.5	140.5	171.4	-73.4	151.8	0	0	0	112.1	F70 R91 V94 D96 H218 H222 M236 P238	F70-H228 HydrophobicContact CE2-CB 4.49Å; F70-H228 HydrophobicContact CZ-CB 3.89Å; R91-H228 PolarHBondContact NH2-CE1 3.47Å; V94-H228 PolarHBondContact O-CE1 3.44Å; D96-H228 IonicContact OD1-CE1 3.47Å; D96-H228 IonicContact OD1-CG 2.8Å; D96-H228 IonicContact OD1-ND1 2.88Å; D96-H228 PolarHBondContact OD1-ND1 2.78Å; H218-H228 AromaticContact CE1-CD2 3.48Å; H218-H228 PolarHBondContact CE1-CD2 3.37Å; H218-H228 VanDerWaalsContact CE1-CD2 3.48Å; H218-H228 AromaticContact CE1-NE2 3.56Å; H218-H228 AromaticContact NE2-CD2 3.46Å; H218-H228 PolarHBondContact NE2-CD2 3.21Å; H218-H228 AromaticContact NE2-NE2 3.14Å; H218-H228 PolarHBondContact NE2-NE2 3.4Å; H218-H228 VanDerWaalsContact NE2-NE2 3.14Å; H222-H228 AromaticContact CE1-CD2 3.45Å; H222-H228 PolarHBondContact CE1-CD2 2.81Å; H222-H228 VanDerWaalsContact CE1-CD2 3.45Å; H222-H228 AromaticContact CE1-NE2 3.66Å; H222-H228 AromaticContact NE2-CD2 3.43Å; H222-H228 PolarHBondContact NE2-CD2 2.92Å; H222-H228 AromaticContact NE2-NE2 3.19Å; H222-H228 PolarHBondContact NE2-NE2 3.22Å; H222-H228 VanDerWaalsContact NE2-NE2 3.19Å; H228-M236 VanDerWaalsContact CA-O 3.29Å; H228-M236 WeakPolarHBondContact CA-O 3.39Å; H228-M236 PolarHBondContact CD2-O 3.28Å; H228-P238 HydrophobicContact CB-CG 4.15Å
229	S	96.4	Very high	97	Very high	15 Å²	15	15.5 Å²	15.5	11%	0.105	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-95.4	149.5	172.7	-177.9	0	0	0	0	111.1	F70 D231 M236 Y237 P238 D251	F70-S229 WeakPolarHBondContact CZ-O 3.29Å; S229-D231 VanDerWaalsContact C-N 3.33Å; S229-D231 WeakPolarHBondContact OG-CB 3.19Å; S229-D231 PolarHBondContact OG-N 2.81Å; S229-M236 PolarHBondContact N-O 3.02Å; S229-Y237 WeakPolarHBondContact O-CD2 3.49Å; S229-P238 WeakPolarHBondContact O-CD 3.46Å; S229-D251 WeakPolarHBondContact CB-OD2 3.48Å; S229-D251 PolarHBondContact OG-OD2 2.81Å
230	T	95.4	Very high	97	Very high	92 Å²	92	16.5 Å²	16.5	56%	0.564	10%	0.104	S	C	*	.	S	Bend	trans	-84.5	-9	168.5	55.9	0	0	0	0	112.5	F70 I232	F70-T230 HydrophobicContact CD1-CG2 4.28Å; F70-T230 HydrophobicContact CD2-CG2 3.63Å; F70-T230 HydrophobicContact CE1-CG2 4.26Å; F70-T230 HydrophobicContact CE2-CG2 3.64Å; F70-T230 HydrophobicContact CG-CG2 3.95Å; F70-T230 HydrophobicContact CZ-CG2 3.95Å; T230-I232 PolarHBondContact O-N 2.81Å
231	D	96.4	Very high	96.7	Very high	37 Å²	37	17.2 Å²	17.2	20%	0.198	11%	0.108	C	C	.	.			trans	-76.5	107.6	174.2	-175.1	-9.6	0	0	0	110.2	S229 G233 A234 D251 T274	S229-D231 VanDerWaalsContact C-N 3.33Å; S229-D231 WeakPolarHBondContact OG-CB 3.19Å; S229-D231 PolarHBondContact OG-N 2.81Å; D231-G233 PolarHBondContact O-N 2.84Å; D231-G233 PolarHBondContact OD1-N 3.04Å; D231-A234 HydrophobicContact CB-CB 4.08Å; D231-A234 WeakPolarHBondContact O-CB 3.48Å; D231-A234 PolarHBondContact O-N 2.92Å; D231-D251 HydrophobicContact CB-CB 4.34Å; D231-T274 VanDerWaalsContact CG-OG1 3.28Å; D231-T274 WeakPolarHBondContact OD1-CB 3.19Å; D231-T274 WeakPolarHBondContact OD1-CG2 3.38Å; D231-T274 PolarHBondContact OD1-OG1 3.16Å; D231-T274 PolarHBondContact OD2-OG1 3.26Å
232	I	96.1	Very high	96.4	Very high	22 Å²	22	18.7 Å²	18.7	11%	0.113	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.5	177.7	-166.8	165.7	0	0	0	114	T230 A234 Y237 T274 F301 L314 N315 F316	T230-I232 PolarHBondContact O-N 2.81Å; I232-A234 VanDerWaalsContact C-N 3.34Å; I232-Y237 VanDerWaalsContact CA-CD2 3.49Å; I232-Y237 HydrophobicContact CB-CD2 4.24Å; I232-Y237 HydrophobicContact CB-CE1 4.47Å; I232-Y237 HydrophobicContact CB-CE2 4.04Å; I232-Y237 HydrophobicContact CD1-CE1 4.32Å; I232-Y237 HydrophobicContact CG1-CD1 4.17Å; I232-Y237 HydrophobicContact CG1-CE1 3.89Å; I232-Y237 HydrophobicContact CG1-CE2 4.35Å; I232-Y237 HydrophobicContact CG1-CG 4.49Å; I232-T274 HydrophobicContact CG2-CG2 4.3Å; I232-F301 HydrophobicContact CG2-CE1 4.33Å; I232-L314 HydrophobicContact CG2-CD2 3.33Å; I232-N315 HydrophobicContact CD1-CB 4.26Å; I232-F316 HydrophobicContact CG1-CE2 4.46Å; I232-F316 WeakPolarHBondContact O-CE2 3.26Å
233	G	96.6	Very high	95.9	Very high	4 Å²	4	19.8 Å²	19.8	4%	0.041	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-14.7	175.9	0	0	0	0	0	114.9	D231 T274 R300	D231-G233 PolarHBondContact O-N 2.84Å; D231-G233 PolarHBondContact OD1-N 3.04Å; G233-T274 VanDerWaalsContact CA-OG1 3.3Å; G233-T274 WeakPolarHBondContact CA-OG1 3.13Å; G233-T274 PolarHBondContact N-OG1 3.46Å; G233-R300 PolarHBondContact O-NH2 3.01Å
234	A	97.8	Very high	95.4	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.017	14%	0.14	C	C	.	.	S	Bend	trans	-74.9	148	-179.7	0	0	0	0	0	111.7	D231 I232 M236 Y237 A249 D251	D231-A234 HydrophobicContact CB-CB 4.08Å; D231-A234 WeakPolarHBondContact O-CB 3.48Å; D231-A234 PolarHBondContact O-N 2.92Å; I232-A234 VanDerWaalsContact C-N 3.34Å; A234-M236 PolarHBondContact O-N 2.82Å; A234-Y237 WeakPolarHBondContact O-CB 3.25Å; A234-Y237 PolarHBondContact O-N 2.94Å; A234-A249 HydrophobicContact CB-CB 4.37Å; A234-D251 HydrophobicContact CB-CB 4.23Å
235	L	98.2	Very high	95.1	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.026	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-39.2	172.3	-177.9	71.5	0	0	0	110.2	W141 R214 A217 H218 Y237 V246 L248 D252	W141-L235 HydrophobicContact CH2-CD2 4.19Å; W141-L235 HydrophobicContact CZ2-CD2 3.67Å; R214-L235 VanDerWaalsContact NH1-CD1 3.29Å; R214-L235 PolarHBondContact NH1-O 2.92Å; R214-L235 PolarHBondContact NH2-O 3.11Å; R214-L235 VanDerWaalsContact NH2-O 3.14Å; A217-L235 HydrophobicContact CB-CD1 4.05Å; A217-L235 HydrophobicContact CB-CD2 3.61Å; A217-L235 HydrophobicContact CB-CG 4.37Å; H218-L235 HydrophobicContact CB-CG 4.43Å; H218-L235 PolarHBondContact ND1-O 3.41Å; L235-Y237 PolarHBondContact O-N 3.07Å; L235-V246 HydrophobicContact CD1-CG1 3.83Å; L235-L248 HydrophobicContact CB-CD2 4.49Å; L235-L248 HydrophobicContact CD2-CD2 3.59Å; L235-D252 WeakPolarHBondContact CB-OD2 3.3Å; L235-D252 VanDerWaalsContact N-CG 3.31Å; L235-D252 PolarHBondContact N-OD1 2.85Å; L235-D252 PolarHBondContact N-OD2 3.31Å
236	M	98.1	Very high	95.1	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.02	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	8.6	178.2	-63.2	-49.3	-59.8	0	0	114.8	W141 H218 H222 L226 H228 S229 A234 D252	W141-M236 HydrophobicContact CH2-CG 4.17Å; W141-M236 HydrophobicContact CH2-SD 4.11Å; W141-M236 HydrophobicContact CZ2-SD 4.04Å; H218-M236 WeakPolarHBondContact ND1-CA 3.32Å; H218-M236 WeakPolarHBondContact O-CE 3.44Å; H218-M236 VanDerWaalsContact O-SD 3.36Å; H222-M236 WeakPolarHBondContact CE1-CE 3.23Å; H222-M236 WeakPolarHBondContact ND1-CE 3.4Å; L226-M236 HydrophobicContact CB-CE 4.03Å; L226-M236 HydrophobicContact CB-CG 4.25Å; L226-M236 HydrophobicContact CB-SD 4.4Å; L226-M236 HydrophobicContact CD1-CG 3.89Å; L226-M236 HydrophobicContact CD1-SD 4.24Å; H228-M236 VanDerWaalsContact CA-O 3.29Å; H228-M236 WeakPolarHBondContact CA-O 3.39Å; H228-M236 PolarHBondContact CD2-O 3.28Å; S229-M236 PolarHBondContact N-O 3.02Å; A234-M236 PolarHBondContact O-N 2.82Å; M236-D252 WeakPolarHBondContact CG-OD1 3.49Å; M236-D252 PolarHBondContact N-OD1 3.4Å
237	Y	97.9	Very high	95.1	Very high	15 Å²	15	30 Å²	30	6%	0.059	18%	0.181	C	C	.	.			trans	-67.2	134.3	168.9	-169.7	-105.5	0	0	0	110.7	F71 H218 S229 I232 A234 L235 S239	F71-Y237 AromaticContact CD1-CZ 3.94Å; F71-Y237 WeakPolarHBondContact CD1-OH 3.37Å; F71-Y237 HydrophobicContact CE1-CE1 4.35Å; F71-Y237 AromaticContact CE1-CZ 3.94Å; H218-Y237 PolarHBondContact CE1-O 3.23Å; H218-Y237 PolarHBondContact ND1-O 3.07Å; S229-Y237 WeakPolarHBondContact O-CD2 3.49Å; I232-Y237 VanDerWaalsContact CA-CD2 3.49Å; I232-Y237 HydrophobicContact CB-CD2 4.24Å; I232-Y237 HydrophobicContact CB-CE1 4.47Å; I232-Y237 HydrophobicContact CB-CE2 4.04Å; I232-Y237 HydrophobicContact CD1-CE1 4.32Å; I232-Y237 HydrophobicContact CG1-CD1 4.17Å; I232-Y237 HydrophobicContact CG1-CE1 3.89Å; I232-Y237 HydrophobicContact CG1-CE2 4.35Å; I232-Y237 HydrophobicContact CG1-CG 4.49Å; A234-Y237 WeakPolarHBondContact O-CB 3.25Å; A234-Y237 PolarHBondContact O-N 2.94Å; L235-Y237 PolarHBondContact O-N 3.07Å; Y237-S239 PolarHBondContact O-N 3.31Å
238	P	97.6	Very high	95.3	Very high	2 Å²	2	27 Å²	27	1%	0.013	16%	0.155	C	C	.	.	S	Bend	trans	-65.1	-39.5	-169.4	5.5	-13.5	0	0	0	114.7	F70 F71 R91 C92 H228 S229	F70-P238 HydrophobicContact CD1-CG 4.47Å; F70-P238 HydrophobicContact CE1-CG 3.42Å; F70-P238 VanDerWaalsContact CE1-CG 3.42Å; F70-P238 HydrophobicContact CZ-CG 3.86Å; F71-P238 HydrophobicContact CE1-CG 4.46Å; F71-P238 HydrophobicContact CZ-CG 4.11Å; R91-P238 CarbonylContact C-O 3.52Å; R91-P238 VanDerWaalsContact CA-O 3.25Å; R91-P238 WeakPolarHBondContact CA-O 3.48Å; R91-P238 VanDerWaalsContact CB-O 3.23Å; R91-P238 WeakPolarHBondContact CB-O 3.48Å; R91-P238 VanDerWaalsContact NH2-CB 3.33Å; C92-P238 PolarHBondContact N-O 2.9Å; H228-P238 HydrophobicContact CB-CG 4.15Å; S229-P238 WeakPolarHBondContact O-CD 3.46Å
239	S	97.8	Very high	95.3	Very high	1 Å²	1	26 Å²	26	1%	0.007	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-77.8	140.6	-179.6	-52.4	0	0	0	0	111.5	Y237 T241	Y237-S239 PolarHBondContact O-N 3.31Å; S239-T241 PolarHBondContact O-N 3.23Å
240	Y	97.5	Very high	95.4	Very high	23 Å²	23	26.9 Å²	26.9	9%	0.09	15%	0.153	C	C	.	.			trans	-63.3	126.8	179.4	176.2	-93.2	0	0	0	111.1	P90 L181 E209 Y210 N211 R214 V215 F242	P90-Y240 WeakPolarHBondContact O-CB 3.19Å; P90-Y240 PolarHBondContact O-N 2.8Å; L181-Y240 HydrophobicContact CD1-CD2 3.84Å; L181-Y240 HydrophobicContact CD1-CG 3.91Å; E209-Y240 HydrophobicContact CG-CE1 3.94Å; Y210-Y240 AromaticContact CD1-CD1 3.79Å; Y210-Y240 HydrophobicContact CD1-CD1 3.79Å; Y210-Y240 HydrophobicContact CD1-CD2 4Å; Y210-Y240 AromaticContact CD1-CE1 3.86Å; Y210-Y240 HydrophobicContact CD1-CE1 3.86Å; Y210-Y240 HydrophobicContact CD1-CE2 4.05Å; Y210-Y240 AromaticContact CD1-CG 3.86Å; Y210-Y240 HydrophobicContact CD1-CG 3.86Å; Y210-Y240 AromaticContact CD1-CZ 3.97Å; Y210-Y240 AromaticContact CE1-CD1 3.99Å; Y210-Y240 HydrophobicContact CE1-CD1 3.99Å; Y210-Y240 HydrophobicContact CE1-CE1 4.35Å; Y210-Y240 HydrophobicContact CE1-CG 4.22Å; N211-Y240 PolarHBondContact N-OH 2.89Å; R214-Y240 HydrophobicContact CB-CE2 4.44Å; R214-Y240 HydrophobicContact CG-CD2 4.45Å; R214-Y240 HydrophobicContact CG-CE2 3.95Å; V215-Y240 HydrophobicContact CG2-CD2 3.8Å; V215-Y240 HydrophobicContact CG2-CE2 3.85Å; Y240-F242 HydrophobicContact CE1-CB 4.1Å
241	T	92.3	Very high	95.5	Very high	15 Å²	15	25.6 Å²	25.6	9%	0.092	14%	0.142	C	C	.	.			trans	-137.3	138.9	174.5	57	0	0	0	0	109.9	R214 S239 F316	R214-T241 PolarHBondContact NE-O 3.34Å; R214-T241 PolarHBondContact NH2-OG1 3.45Å; S239-T241 PolarHBondContact O-N 3.23Å; T241-F316 HydrophobicContact CG2-CD2 3.83Å; T241-F316 HydrophobicContact CG2-CE2 3.88Å
242	F	91.9	Very high	95.6	Very high	31 Å²	31	24 Å²	24	14%	0.136	13%	0.133	C	C	.	.			trans	-133.1	122.7	176.2	-169.3	-94.2	0	0	0	110.7	F207 N211 R214 Y240 G244 V246 S318	F207-F242 VanDerWaalsContact CA-CE1 3.43Å; F207-F242 HydrophobicContact CB-CD1 4.06Å; F207-F242 HydrophobicContact CB-CE1 3.71Å; N211-F242 HydrophobicContact CB-CD2 3.81Å; N211-F242 HydrophobicContact CB-CE2 3.74Å; R214-F242 HydrophobicContact CB-CD2 4.05Å; R214-F242 HydrophobicContact CB-CE2 4.41Å; R214-F242 HydrophobicContact CG-CD2 4.25Å; Y240-F242 HydrophobicContact CE1-CB 4.1Å; F242-G244 WeakPolarHBondContact CE2-O 3.46Å; F242-G244 WeakPolarHBondContact CZ-O 3.34Å; F242-V246 HydrophobicContact CE2-CG2 4.08Å; F242-S318 WeakPolarHBondContact O-CB 3.29Å; F242-S318 PolarHBondContact O-OG 2.93Å
243	S	88.2	Confident	95.7	Very high	23 Å²	23	23.1 Å²	23.1	16%	0.161	13%	0.129	C	C	.	.			trans	-127.8	30.7	-176.5	60.3	0	0	0	0	113.2	R300 F316 K326	S243-R300 PolarHBondContact OG-NH1 3.05Å; S243-F316 WeakPolarHBondContact OG-CE1 3.26Å; S243-K326 WeakPolarHBondContact O-CE 3.29Å
244	G	87.8	Confident	95.7	Very high	36 Å²	36	27.2 Å²	27.2	37%	0.371	15%	0.15	S	C	.	.	S	Bend	trans	92.9	-125.2	-175.6	0	0	0	0	0	111.1	F242 V246	F242-G244 WeakPolarHBondContact CE2-O 3.46Å; F242-G244 WeakPolarHBondContact CZ-O 3.34Å; G244-V246 PolarHBondContact O-N 3.34Å
245	D	90.3	Very high	95.6	Very high	121 Å²	121	28.4 Å²	28.4	65%	0.647	16%	0.162	S	C	*	.	S	Bend	trans	-59.7	124.2	-179.1	-47.3	-51.5	0	0	0	111.3	K326	D245-K326 PolarHBondContact O-NZ 3.22Å; D245-K326 IonicContact OD2-NZ 3.5Å
246	V	95.3	Very high	95.6	Very high	19 Å²	19	28.1 Å²	28.1	12%	0.115	16%	0.161	C	C	.	.			trans	-77.2	126.6	174.1	-172.8	0	0	0	0	108.3	L140 Y213 R214 A217 L235 F242 G244	L140-V246 HydrophobicContact CD1-CG1 3.98Å; Y213-V246 HydrophobicContact CD1-CB 3.95Å; Y213-V246 HydrophobicContact CD1-CG2 3.69Å; Y213-V246 HydrophobicContact CE1-CB 3.45Å; Y213-V246 VanDerWaalsContact CE1-CB 3.45Å; Y213-V246 HydrophobicContact CE1-CG1 4.29Å; Y213-V246 HydrophobicContact CE1-CG2 3.72Å; Y213-V246 HydrophobicContact CG-CG2 4.46Å; Y213-V246 PolarHBondContact OH-O 3.36Å; R214-V246 HydrophobicContact CB-CG2 3.89Å; A217-V246 HydrophobicContact CB-CG1 4.34Å; L235-V246 HydrophobicContact CD1-CG1 3.83Å; F242-V246 HydrophobicContact CE2-CG2 4.08Å; G244-V246 PolarHBondContact O-N 3.34Å
247	Q	95.4	Very high	95.5	Very high	70 Å²	70	30.1 Å²	30.1	33%	0.327	17%	0.17	S	C	.	.			trans	-151.8	150.2	-175.8	61.8	-169	19.7	0	0	108.6	P272	Q247-P272 HydrophobicContact CG-CG 4.23Å
248	L	97.8	Very high	95.4	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.052	20%	0.202	C	C	.	.			trans	-70.4	128.5	173.6	-60.3	-176.1	0	0	0	109.9	L140 W141 V144 L235 D252 I253 G271 P272	L140-L248 HydrophobicContact CB-CD1 4.39Å; L140-L248 HydrophobicContact CB-CD2 4.15Å; L140-L248 HydrophobicContact CB-CG 4.1Å; L140-L248 VanDerWaalsContact O-CD1 3.28Å; L140-L248 WeakPolarHBondContact O-CD1 3.38Å; W141-L248 HydrophobicContact CD2-CD1 4.47Å; W141-L248 HydrophobicContact CD2-CD2 4.21Å; W141-L248 HydrophobicContact CE3-CD1 3.81Å; W141-L248 HydrophobicContact CE3-CD2 3.92Å; W141-L248 HydrophobicContact CH2-CD2 3.66Å; W141-L248 HydrophobicContact CZ2-CD2 3.97Å; W141-L248 HydrophobicContact CZ3-CD1 4.01Å; W141-L248 HydrophobicContact CZ3-CD2 3.63Å; W141-L248 HydrophobicContact CZ3-CG 4.47Å; V144-L248 HydrophobicContact CG1-CD1 4.28Å; V144-L248 HydrophobicContact CG2-CD1 3.57Å; L235-L248 HydrophobicContact CB-CD2 4.49Å; L235-L248 HydrophobicContact CD2-CD2 3.59Å; L248-D252 HydrophobicContact CB-CB 4.11Å; L248-D252 HydrophobicContact CD2-CB 4.09Å; L248-I253 HydrophobicContact CB-CD1 4.27Å; L248-I253 HydrophobicContact CB-CG1 3.76Å; L248-I253 HydrophobicContact CD1-CG1 4.19Å; L248-G271 WeakPolarHBondContact O-CA 3.3Å; L248-P272 VanDerWaalsContact O-CD 3.31Å; L248-P272 WeakPolarHBondContact O-CD 3.19Å
249	A	97.6	Very high	95.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.211	C	C	.	.			trans	-70.2	165.3	165.9	0	0	0	0	0	110.4	A234 D251 D252 I253 P272	A234-A249 HydrophobicContact CB-CB 4.37Å; A249-D251 PolarHBondContact O-N 2.62Å; A249-D252 WeakPolarHBondContact CB-OD2 3.33Å; A249-D252 PolarHBondContact N-OD2 2.9Å; A249-D252 PolarHBondContact O-N 3.11Å; A249-D252 VanDerWaalsContact O-N 3.16Å; A249-I253 WeakPolarHBondContact O-CG1 3.3Å; A249-I253 PolarHBondContact O-N 2.7Å; A249-I253 VanDerWaalsContact O-N 3.11Å; A249-P272 HydrophobicContact CB-CG 4.41Å
250	Q	97.5	Very high	95.1	Very high	33 Å²	33	35.9 Å²	35.9	15%	0.154	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-34.9	177.6	-167.4	59.9	49.9	0	0	111.8	D252 I253 D254 P272 Q273	Q250-D252 PolarHBondContact O-N 3.33Å; Q250-I253 PolarHBondContact O-N 3.45Å; Q250-D254 PolarHBondContact NE2-OD1 3.03Å; Q250-D254 WeakPolarHBondContact O-CB 3.46Å; Q250-D254 PolarHBondContact O-N 3.01Å; Q250-P272 PolarHBondContact N-O 2.95Å; Q250-Q273 HydrophobicContact CB-CG 3.93Å
251	D	97.9	Very high	95	Very high	64 Å²	64	36.3 Å²	36.3	34%	0.342	22%	0.224	S	C	.	.	H	α-helix	trans	-59.5	-44.2	175	-172.9	74.2	0	0	0	112.6	S229 D231 A234 A249 I253 D254 G255	S229-D251 WeakPolarHBondContact CB-OD2 3.48Å; S229-D251 PolarHBondContact OG-OD2 2.81Å; D231-D251 HydrophobicContact CB-CB 4.34Å; A234-D251 HydrophobicContact CB-CB 4.23Å; A249-D251 PolarHBondContact O-N 2.62Å; D251-I253 PolarHBondContact O-N 3.16Å; D251-D254 PolarHBondContact O-N 3.32Å; D251-G255 PolarHBondContact O-N 3.17Å
252	D	98.5	Very high	95.1	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-41.6	176.4	-53.3	-65.6	0	0	0	111.6	W141 L235 M236 L248 A249 Q250 G255 I256	W141-D252 HydrophobicContact CH2-CB 4.11Å; W141-D252 HydrophobicContact CZ3-CB 4.13Å; L235-D252 WeakPolarHBondContact CB-OD2 3.3Å; L235-D252 VanDerWaalsContact N-CG 3.31Å; L235-D252 PolarHBondContact N-OD1 2.85Å; L235-D252 PolarHBondContact N-OD2 3.31Å; M236-D252 WeakPolarHBondContact CG-OD1 3.49Å; M236-D252 PolarHBondContact N-OD1 3.4Å; L248-D252 HydrophobicContact CB-CB 4.11Å; L248-D252 HydrophobicContact CD2-CB 4.09Å; A249-D252 WeakPolarHBondContact CB-OD2 3.33Å; A249-D252 PolarHBondContact N-OD2 2.9Å; A249-D252 PolarHBondContact O-N 3.11Å; A249-D252 VanDerWaalsContact O-N 3.16Å; Q250-D252 PolarHBondContact O-N 3.33Å; D252-G255 PolarHBondContact O-N 2.73Å; D252-I256 WeakPolarHBondContact O-CG2 3.37Å; D252-I256 PolarHBondContact O-N 3.02Å
253	I	98.1	Very high	95.1	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-48.3	178.8	-64	173.8	0	0	0	110.1	V144 L248 A249 Q250 D251 G255 I256 Q257	V144-I253 HydrophobicContact CB-CG2 4.33Å; V144-I253 HydrophobicContact CG1-CD1 4.24Å; V144-I253 HydrophobicContact CG1-CG1 4.13Å; V144-I253 HydrophobicContact CG1-CG2 4.45Å; L248-I253 HydrophobicContact CB-CD1 4.27Å; L248-I253 HydrophobicContact CB-CG1 3.76Å; L248-I253 HydrophobicContact CD1-CG1 4.19Å; A249-I253 WeakPolarHBondContact O-CG1 3.3Å; A249-I253 PolarHBondContact O-N 2.7Å; A249-I253 VanDerWaalsContact O-N 3.11Å; Q250-I253 PolarHBondContact O-N 3.45Å; D251-I253 PolarHBondContact O-N 3.16Å; I253-G255 VanDerWaalsContact C-N 3.31Å; I253-G255 PolarHBondContact O-N 3.02Å; I253-I256 WeakPolarHBondContact O-CG2 3.35Å; I253-I256 PolarHBondContact O-N 2.77Å; I253-Q257 HydrophobicContact CG2-CG 4.24Å; I253-Q257 VanDerWaalsContact O-CB 3.25Å; I253-Q257 WeakPolarHBondContact O-CB 3.4Å; I253-Q257 WeakPolarHBondContact O-CG 3.37Å; I253-Q257 PolarHBondContact O-N 2.97Å
254	D	96.8	Very high	95.1	Very high	90 Å²	90	43.1 Å²	43.1	48%	0.481	26%	0.261	S	S	.	.	H	α-helix	trans	-61.3	-43.3	179.4	-67.1	-11.7	0	0	0	110.3	Q250 D251 A258	Q250-D254 PolarHBondContact NE2-OD1 3.03Å; Q250-D254 WeakPolarHBondContact O-CB 3.46Å; Q250-D254 PolarHBondContact O-N 3.01Å; D251-D254 PolarHBondContact O-N 3.32Å; D254-A258 WeakPolarHBondContact O-CB 3.3Å; D254-A258 PolarHBondContact O-N 3Å
255	G	95.9	Very high	95.1	Very high	27 Å²	27	45.9 Å²	45.9	28%	0.278	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-51.6	177.2	0	0	0	0	0	113.1	D251 D252 I253 Q257 A258	D251-G255 PolarHBondContact O-N 3.17Å; D252-G255 PolarHBondContact O-N 2.73Å; I253-G255 VanDerWaalsContact C-N 3.31Å; I253-G255 PolarHBondContact O-N 3.02Å; G255-Q257 PolarHBondContact O-N 3.27Å; G255-A258 WeakPolarHBondContact O-CB 3.41Å; G255-A258 PolarHBondContact O-N 2.98Å
256	I	97.3	Very high	94.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.9	-34.6	-176.9	-162.2	68.9	0	0	0	112.1	W141 V144 T145 L224 L226 D252 I253 A258 I259 Y260	W141-I256 HydrophobicContact CE3-CB 3.98Å; W141-I256 HydrophobicContact CE3-CD1 4.3Å; W141-I256 HydrophobicContact CE3-CG1 3.91Å; W141-I256 HydrophobicContact CE3-CG2 4.04Å; W141-I256 HydrophobicContact CZ3-CB 3.97Å; W141-I256 HydrophobicContact CZ3-CG1 4.33Å; W141-I256 HydrophobicContact CZ3-CG2 4.16Å; V144-I256 HydrophobicContact CG2-CG2 3.74Å; T145-I256 HydrophobicContact CG2-CB 4.3Å; T145-I256 HydrophobicContact CG2-CG1 3.7Å; T145-I256 HydrophobicContact CG2-CG2 3.74Å; L224-I256 HydrophobicContact CB-CD1 3.81Å; L224-I256 HydrophobicContact CD1-CD1 4.15Å; L226-I256 HydrophobicContact CD1-CB 4.24Å; L226-I256 HydrophobicContact CD1-CD1 4.02Å; L226-I256 HydrophobicContact CD2-CB 4.47Å; L226-I256 HydrophobicContact CD2-CD1 4.36Å; L226-I256 HydrophobicContact CG-CD1 4.04Å; D252-I256 WeakPolarHBondContact O-CG2 3.37Å; D252-I256 PolarHBondContact O-N 3.02Å; I253-I256 WeakPolarHBondContact O-CG2 3.35Å; I253-I256 PolarHBondContact O-N 2.77Å; I256-A258 VanDerWaalsContact C-N 3.32Å; I256-I259 PolarHBondContact O-N 3.47Å; I256-I259 VanDerWaalsContact O-N 3.16Å; I256-Y260 HydrophobicContact CD1-CD2 3.72Å; I256-Y260 HydrophobicContact CD1-CE2 3.73Å; I256-Y260 HydrophobicContact CG1-CD2 4.02Å; I256-Y260 PolarHBondContact O-N 3.43Å
257	Q	96.3	Very high	94.2	Very high	46 Å²	46	51.2 Å²	51.2	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-71.8	-27.3	176.4	-70.3	-174.2	-10.6	0	0	112.2	V144 I253 G255 I259 G261	V144-Q257 WeakPolarHBondContact O-CG 3.27Å; V144-Q257 PolarHBondContact O-NE2 3.45Å; I253-Q257 HydrophobicContact CG2-CG 4.24Å; I253-Q257 VanDerWaalsContact O-CB 3.25Å; I253-Q257 WeakPolarHBondContact O-CB 3.4Å; I253-Q257 WeakPolarHBondContact O-CG 3.37Å; I253-Q257 PolarHBondContact O-N 2.97Å; G255-Q257 PolarHBondContact O-N 3.27Å; Q257-I259 PolarHBondContact O-N 3.22Å; Q257-G261 WeakPolarHBondContact O-CA 3.42Å; Q257-G261 PolarHBondContact O-N 3.44Å
258	A	95	Very high	93.7	Very high	88 Å²	88	51.3 Å²	51.3	73%	0.727	31%	0.307	S	S	*	.	H	α-helix	trans	-63.7	-27.4	170.6	0	0	0	0	0	112.3	D254 G255 I256	D254-A258 WeakPolarHBondContact O-CB 3.3Å; D254-A258 PolarHBondContact O-N 3Å; G255-A258 WeakPolarHBondContact O-CB 3.41Å; G255-A258 PolarHBondContact O-N 2.98Å; I256-A258 VanDerWaalsContact C-N 3.32Å
259	I	94.8	Very high	93.2	Very high	38 Å²	38	53.2 Å²	53.2	20%	0.195	32%	0.32	C	S	.	.	H	α-helix	trans	-87.2	-49.9	178.4	-56.9	174.2	0	0	0	111.3	R108 L226 I256 Q257	R108-I259 HydrophobicContact CB-CG2 3.85Å; R108-I259 WeakPolarHBondContact CD-O 3.34Å; R108-I259 HydrophobicContact CG-CG2 3.56Å; R108-I259 PolarHBondContact NE-O 2.9Å; R108-I259 PolarHBondContact NH1-O 3.17Å; L226-I259 HydrophobicContact CD2-CD1 3.8Å; L226-I259 HydrophobicContact CG-CD1 4.45Å; I256-I259 PolarHBondContact O-N 3.47Å; I256-I259 VanDerWaalsContact O-N 3.16Å; Q257-I259 PolarHBondContact O-N 3.22Å
260	Y	95.9	Very high	93	Very high	13 Å²	13	59.1 Å²	59.1	5%	0.051	36%	0.356	C	S	.	.	H	α-helix	trans	-112.6	-6.1	-168.5	-61.7	-76.7	0	0	0	115.2	R108 W109 P146 L147 L224 I256	R108-Y260 HydrophobicContact CG-CD1 4.41Å; R108-Y260 HydrophobicContact CG-CE1 3.71Å; W109-Y260 HydrophobicContact CB-CE1 4.27Å; W109-Y260 PolarHBondContact N-OH 3.42Å; P146-Y260 WeakPolarHBondContact CD-O 3.5Å; L147-Y260 HydrophobicContact CD1-CD1 4.41Å; L147-Y260 HydrophobicContact CD1-CD2 3.78Å; L147-Y260 HydrophobicContact CD1-CE2 3.99Å; L147-Y260 HydrophobicContact CD1-CG 4Å; L147-Y260 HydrophobicContact CD2-CD1 3.68Å; L147-Y260 HydrophobicContact CD2-CE1 3.9Å; L147-Y260 HydrophobicContact CD2-CG 4.03Å; L147-Y260 HydrophobicContact CG-CD1 4.26Å; L147-Y260 HydrophobicContact CG-CD2 4.37Å; L147-Y260 HydrophobicContact CG-CG 4.08Å; L224-Y260 HydrophobicContact CB-CE2 4.22Å; L224-Y260 WeakPolarHBondContact O-CE2 3.32Å; L224-Y260 VanDerWaalsContact O-CZ 3.3Å; L224-Y260 PolarHBondContact O-OH 3.13Å; I256-Y260 HydrophobicContact CD1-CD2 3.72Å; I256-Y260 HydrophobicContact CD1-CE2 3.73Å; I256-Y260 HydrophobicContact CG1-CD2 4.02Å; I256-Y260 PolarHBondContact O-N 3.43Å
261	G	95	Very high	92.8	Very high	31 Å²	31	58.2 Å²	58.2	32%	0.32	36%	0.356	S	S	.	.			trans	80	170.6	-170.6	0	0	0	0	0	113.3	P146 Q257	P146-G261 WeakPolarHBondContact CD-O 3.43Å; Q257-G261 WeakPolarHBondContact O-CA 3.42Å; Q257-G261 PolarHBondContact O-N 3.44Å
262	G	94.3	Very high	92.7	Very high	28 Å²	28	56.9 Å²	56.9	29%	0.289	35%	0.351	S	S	.	.			trans	-73.6	159.9	176.2	0	0	0	0	0	113.2	P146	P146-G262 WeakPolarHBondContact CD-O 3.11Å; P146-G262 WeakPolarHBondContact CG-O 3.49Å
263	S	92.3	Very high	92.5	Very high	9 Å²	9	63.5 Å²	63.5	6%	0.063	38%	0.381	C	S	.	.			trans	-61.3	159.8	174.5	72.8	0	0	0	0	111.6	V144 N265 Q268	V144-S263 PolarHBondContact O-N 3.48Å; S263-N265 PolarHBondContact O-N 3.18Å; S263-N265 PolarHBondContact OG-N 3.35Å; S263-Q268 PolarHBondContact O-NE2 3.16Å; S263-Q268 PolarHBondContact OG-NE2 2.82Å; S263-Q268 PolarHBondContact OG-OE1 3.11Å
264	Q	87.6	Confident	92.4	Very high	175 Å²	175	64.5 Å²	64.5	82%	0.818	39%	0.388	S	S	*	.	S	Bend	trans	-73	-2.2	174	-64	-65	-25.9	0	0	113.2
265	N	87.1	Confident	92.3	Very high	94 Å²	94	61 Å²	61	50%	0.503	37%	0.37	S	S	.	.	S	Bend	trans	-69	133.9	177.9	-67.7	-47.5	0	0	0	110.2	S263 V267 Q268	S263-N265 PolarHBondContact O-N 3.18Å; S263-N265 PolarHBondContact OG-N 3.35Å; N265-V267 PolarHBondContact O-N 3.07Å; N265-Q268 PolarHBondContact O-NE2 3.42Å
266	P	82.4	Confident	92.2	Very high	133 Å²	133	67.3 Å²	67.3	86%	0.864	39%	0.39	S	S	*	.	S	Bend	trans	-65.6	-25.5	-177.5	25.5	-34	0	0	0	112.7
267	V	85.2	Confident	92	Very high	119 Å²	119	67.8 Å²	67.8	72%	0.721	39%	0.393	S	S	*	.	S	Bend	trans	-104	109	172.4	-177.4	0	0	0	0	107.5	N265	N265-V267 PolarHBondContact O-N 3.07Å
268	Q	83.6	Confident	91.8	Very high	72 Å²	72	67.8 Å²	67.8	34%	0.336	40%	0.397	S	S	.	.			trans	-71.7	131.9	174.6	-65.8	-58.5	-45.7	0	0	109.8	S263 N265	S263-Q268 PolarHBondContact O-NE2 3.16Å; S263-Q268 PolarHBondContact OG-NE2 2.82Å; S263-Q268 PolarHBondContact OG-OE1 3.11Å; N265-Q268 PolarHBondContact O-NE2 3.42Å
269	P	89.1	Confident	91.7	Very high	51 Å²	51	66.7 Å²	66.7	33%	0.331	38%	0.379	S	S	.	.			trans	-62.3	141.9	174.5	-21	33.5	0	0	0	111	V144	V144-P269 HydrophobicContact CG1-CB 3.89Å; V144-P269 HydrophobicContact CG1-CG 3.86Å
270	T	92.6	Very high	91.7	Very high	124 Å²	124	67.9 Å²	67.9	76%	0.761	39%	0.391	S	S	*	.			trans	-110.9	137.9	172.8	55.8	0	0	0	0	110.1
271	G	93.5	Very high	91.7	Very high	14 Å²	14	74.7 Å²	74.7	14%	0.144	42%	0.421	C	S	.	.			trans	-91.6	165.1	177.3	0	0	0	0	0	112.7	L248	L248-G271 WeakPolarHBondContact O-CA 3.3Å
272	P	94.6	Very high	91.8	Very high	36 Å²	36	73.9 Å²	73.9	23%	0.234	41%	0.409	C	S	.	.			trans	-58.5	147	164.2	31.9	-40.5	0	0	0	110.5	Q247 L248 A249 Q250	Q247-P272 HydrophobicContact CG-CG 4.23Å; L248-P272 VanDerWaalsContact O-CD 3.31Å; L248-P272 WeakPolarHBondContact O-CD 3.19Å; A249-P272 HydrophobicContact CB-CG 4.41Å; Q250-P272 PolarHBondContact N-O 2.95Å
273	Q	95.4	Very high	92	Very high	141 Å²	141	74.5 Å²	74.5	66%	0.659	41%	0.407	S	S	*	.			trans	-107.5	140.8	172.8	-67.3	-178	-6.9	0	0	110	Q250	Q250-Q273 HydrophobicContact CB-CG 3.93Å
274	T	96.3	Very high	92.3	Very high	25 Å²	25	74.3 Å²	74.3	15%	0.153	41%	0.405	C	S	.	.			trans	-74.4	131.2	173	-59.2	0	0	0	0	109.9	D231 I232 G233 K276 F301 L314	D231-T274 VanDerWaalsContact CG-OG1 3.28Å; D231-T274 WeakPolarHBondContact OD1-CB 3.19Å; D231-T274 WeakPolarHBondContact OD1-CG2 3.38Å; D231-T274 PolarHBondContact OD1-OG1 3.16Å; D231-T274 PolarHBondContact OD2-OG1 3.26Å; I232-T274 HydrophobicContact CG2-CG2 4.3Å; G233-T274 VanDerWaalsContact CA-OG1 3.3Å; G233-T274 WeakPolarHBondContact CA-OG1 3.13Å; G233-T274 PolarHBondContact N-OG1 3.46Å; T274-K276 PolarHBondContact O-N 3.2Å; T274-F301 HydrophobicContact CG2-CE1 4.33Å; T274-F301 HydrophobicContact CG2-CE2 4.42Å; T274-F301 HydrophobicContact CG2-CZ 4.1Å; T274-L314 HydrophobicContact CG2-CD1 4.32Å; T274-L314 HydrophobicContact CG2-CD2 3.9Å
275	P	95.1	Very high	92.8	Very high	16 Å²	16	67.6 Å²	67.6	10%	0.104	38%	0.375	C	S	.	.			trans	-66.2	126.1	-177.6	22.5	-28.5	0	0	0	110.8	V277 L282 K298 F301 M303 L314	P275-V277 PolarHBondContact O-N 3.17Å; P275-L282 HydrophobicContact CB-CD1 3.96Å; P275-K298 HydrophobicContact CB-CB 4.46Å; P275-K298 HydrophobicContact CB-CG 3.98Å; P275-K298 HydrophobicContact CG-CB 4.25Å; P275-K298 HydrophobicContact CG-CG 4.13Å; P275-F301 HydrophobicContact CG-CB 4.26Å; P275-F301 HydrophobicContact CG-CD2 3.81Å; P275-F301 HydrophobicContact CG-CG 4.25Å; P275-M303 HydrophobicContact CG-CE 4.38Å; P275-L314 HydrophobicContact CG-CD1 4.05Å; P275-L314 VanDerWaalsContact O-CD1 3.32Å; P275-L314 WeakPolarHBondContact O-CD1 3.25Å
276	K	93.6	Very high	93.3	Very high	160 Å²	160	63.1 Å²	63.1	70%	0.696	35%	0.351	S	S	*	.			trans	-81.8	110.8	175.1	-65.5	-177.5	-177.1	-177.3	0	109.7	T274 C278 D279	T274-K276 PolarHBondContact O-N 3.2Å; K276-C278 VanDerWaalsContact C-N 3.31Å; K276-C278 PolarHBondContact O-N 3.14Å; K276-D279 HydrophobicContact CB-CB 3.88Å; K276-D279 WeakPolarHBondContact O-CB 3.26Å; K276-D279 PolarHBondContact O-N 3.22Å
277	V	91.8	Very high	94.1	Very high	11 Å²	11	56.9 Å²	56.9	7%	0.067	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-43	-171.4	175.4	0	0	0	0	112.1	P275 L282 M303 V312 L314 N461 F464	P275-V277 PolarHBondContact O-N 3.17Å; V277-L282 WeakPolarHBondContact O-CD2 3.37Å; V277-M303 HydrophobicContact CG2-CG 4.49Å; V277-M303 HydrophobicContact CG2-SD 4.2Å; V277-V312 HydrophobicContact CB-CG1 3.84Å; V277-V312 HydrophobicContact CG1-CB 3.8Å; V277-V312 HydrophobicContact CG1-CG1 3.33Å; V277-V312 HydrophobicContact CG2-CG1 3.23Å; V277-L314 HydrophobicContact CG2-CD1 3.78Å; V277-N461 WeakPolarHBondContact O-CB 3.27Å; V277-N461 PolarHBondContact O-ND2 3.44Å; V277-F464 HydrophobicContact CG1-CB 3.87Å; V277-F464 HydrophobicContact CG1-CD2 3.37Å; V277-F464 HydrophobicContact CG1-CE2 4.02Å; V277-F464 HydrophobicContact CG1-CG 3.74Å
278	C	92	Very high	94.7	Very high	45 Å²	45	51.4 Å²	51.4	30%	0.304	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	8.6	179.6	-65.8	0	0	0	0	114.9	K276 S280 E311 C466	K276-C278 VanDerWaalsContact C-N 3.31Å; K276-C278 PolarHBondContact O-N 3.14Å; C278-S280 PolarHBondContact O-N 3.16Å; C278-E311 PolarHBondContact SG-OE2 3.37Å; C278-C466 WeakPolarHBondContact CA-SG 3.45Å; C278-C466 HydrophobicContact CB-CB 3.73Å; C278-C466 WeakPolarHBondContact CB-SG 3.18Å; C278-C466 WeakPolarHBondContact SG-CA 3.22Å; C278-C466 WeakPolarHBondContact SG-CB 3.48Å; C278-C466 CovalentContact SG-SG 2.04Å; C278-C466 PolarHBondContact SG-SG 3.23Å
279	D	94.1	Very high	95.3	Very high	66 Å²	66	49 Å²	49	35%	0.353	27%	0.268	S	S	.	.			trans	-70.6	123.3	168.9	-173.1	-5.7	0	0	0	110.5	K276 K281 L282 N461	K276-D279 HydrophobicContact CB-CB 3.88Å; K276-D279 WeakPolarHBondContact O-CB 3.26Å; K276-D279 PolarHBondContact O-N 3.22Å; D279-K281 PolarHBondContact O-N 2.87Å; D279-K281 WeakPolarHBondContact OD1-CB 3.39Å; D279-K281 PolarHBondContact OD1-N 2.82Å; D279-L282 WeakPolarHBondContact O-CB 3.21Å; D279-L282 PolarHBondContact O-N 2.86Å; D279-N461 PolarHBondContact O-ND2 3.46Å
280	S	93.8	Very high	95.5	Very high	63 Å²	63	47.3 Å²	47.3	44%	0.441	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-10.6	174.8	72.6	0	0	0	0	114.8	C278 T442 K459	C278-S280 PolarHBondContact O-N 3.16Å; S280-T442 WeakPolarHBondContact O-CG2 3.37Å; S280-K459 PolarHBondContact O-NZ 3.01Å; S280-K459 VanDerWaalsContact O-NZ 3.17Å
281	K	96.7	Very high	95.5	Very high	156 Å²	156	48.8 Å²	48.8	68%	0.678	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-2.7	173.4	-61.5	179.1	-178.1	175.2	0	113.8	D279 T283	D279-K281 PolarHBondContact O-N 2.87Å; D279-K281 WeakPolarHBondContact OD1-CB 3.39Å; D279-K281 PolarHBondContact OD1-N 2.82Å; K281-T283 PolarHBondContact O-N 2.91Å
282	L	96.9	Very high	95.3	Very high	13 Å²	13	51 Å²	51	7%	0.068	27%	0.27	C	S	.	.			trans	-55.7	138.1	178.5	-175	63.8	0	0	0	111.4	P275 V277 D279 F284 M303 N461 F464	P275-L282 HydrophobicContact CB-CD1 3.96Å; V277-L282 WeakPolarHBondContact O-CD2 3.37Å; D279-L282 WeakPolarHBondContact O-CB 3.21Å; D279-L282 PolarHBondContact O-N 2.86Å; L282-F284 HydrophobicContact CD1-CE1 4.47Å; L282-F284 HydrophobicContact CD2-CE1 3.67Å; L282-F284 HydrophobicContact CD2-CZ 3.62Å; L282-F284 HydrophobicContact CG-CE1 3.97Å; L282-F284 HydrophobicContact CG-CZ 4.03Å; L282-M303 HydrophobicContact CD2-SD 4.31Å; L282-N461 HydrophobicContact CD2-CB 4.06Å; L282-F464 HydrophobicContact CD2-CD2 4.41Å; L282-F464 HydrophobicContact CD2-CE2 3.86Å
283	T	98.1	Very high	95.3	Very high	41 Å²	41	53.3 Å²	53.3	25%	0.252	28%	0.278	S	S	.	.			trans	-134	163.1	174.1	61	0	0	0	0	108.2	K281 K298 T442	K281-T283 PolarHBondContact O-N 2.91Å; T283-K298 WeakPolarHBondContact O-CD 3.14Å; T283-T442 HydrophobicContact CG2-CG2 4.35Å
284	F	98.4	Very high	95.3	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.026	25%	0.248	C	C	.	.			trans	-125	147.1	-178.4	-57.1	-68.1	0	0	0	110.6	L282 I287 F296 M303 F439 A460 F464	L282-F284 HydrophobicContact CD1-CE1 4.47Å; L282-F284 HydrophobicContact CD2-CE1 3.67Å; L282-F284 HydrophobicContact CD2-CZ 3.62Å; L282-F284 HydrophobicContact CG-CE1 3.97Å; L282-F284 HydrophobicContact CG-CZ 4.03Å; F284-I287 HydrophobicContact CB-CD1 4.15Å; F284-I287 HydrophobicContact CB-CG1 4.02Å; F284-I287 HydrophobicContact CD2-CD1 3.77Å; F284-I287 HydrophobicContact CD2-CG1 4.38Å; F284-I287 HydrophobicContact CE2-CD1 4.46Å; F284-I287 HydrophobicContact CG-CD1 4.12Å; F284-I287 HydrophobicContact CG-CG1 4.23Å; F284-F296 HydrophobicContact CD1-CB 3.76Å; F284-F296 HydrophobicContact CD1-CD1 4.18Å; F284-F296 HydrophobicContact CD1-CG 4.45Å; F284-F296 AromaticContact CD2-CD1 3.99Å; F284-F296 HydrophobicContact CD2-CD1 3.99Å; F284-F296 HydrophobicContact CE1-CB 3.68Å; F284-F296 AromaticContact CE1-CD1 3.9Å; F284-F296 HydrophobicContact CE1-CD1 3.9Å; F284-F296 HydrophobicContact CE1-CG 4.11Å; F284-F296 AromaticContact CE2-CD1 3.68Å; F284-F296 HydrophobicContact CE2-CD1 3.68Å; F284-F296 HydrophobicContact CE2-CE1 4.19Å; F284-F296 HydrophobicContact CG-CB 4.43Å; F284-F296 HydrophobicContact CG-CD1 4.21Å; F284-F296 HydrophobicContact CZ-CB 4.28Å; F284-F296 AromaticContact CZ-CD1 3.63Å; F284-F296 HydrophobicContact CZ-CD1 3.63Å; F284-F296 HydrophobicContact CZ-CE1 4.33Å; F284-F296 HydrophobicContact CZ-CG 4.22Å; F284-M303 HydrophobicContact CD1-CE 3.92Å; F284-M303 HydrophobicContact CE1-CE 3.68Å; F284-M303 HydrophobicContact CE1-SD 4.18Å; F284-F439 AromaticContact CD2-CD1 3.98Å; F284-F439 HydrophobicContact CD2-CD1 3.98Å; F284-F439 HydrophobicContact CD2-CE1 4.29Å; F284-F439 HydrophobicContact CE2-CD1 4.2Å; F284-F439 HydrophobicContact CE2-CE1 4.14Å; F284-A460 HydrophobicContact CD2-CB 4.3Å; F284-A460 HydrophobicContact CE2-CB 3.9Å; F284-A460 WeakPolarHBondContact CE2-O 3.44Å; F284-F464 HydrophobicContact CE1-CE2 4.06Å; F284-F464 HydrophobicContact CE1-CZ 4.12Å; F284-F464 AromaticContact CZ-CE2 3.67Å; F284-F464 HydrophobicContact CZ-CE2 3.67Å; F284-F464 AromaticContact CZ-CZ 3.88Å; F284-F464 HydrophobicContact CZ-CZ 3.88Å
285	D	98.5	Very high	95.4	Very high	33 Å²	33	46.1 Å²	46.1	18%	0.176	24%	0.243	C	C	.	.	S	Bend	trans	-90	-28.5	177.2	-52	-22.6	0	0	0	111.8	F297 K298 D299 L328 Q329	D285-F297 PolarHBondContact N-O 2.85Å; D285-K298 VanDerWaalsContact OD1-CD 3.29Å; D285-K298 WeakPolarHBondContact OD1-CD 3.5Å; D285-K298 IonicContact OD1-NZ 2.75Å; D285-K298 PolarHBondContact OD1-NZ 2.86Å; D285-D299 PolarHBondContact OD2-N 2.72Å; D285-L328 WeakPolarHBondContact CB-O 3.24Å; D285-Q329 CarbonylContact O-C 3.53Å; D285-Q329 VanDerWaalsContact O-O 3.13Å
286	A	98.7	Very high	95.5	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	156.7	172.6	0	0	0	0	0	110	F297 A331	A286-F297 HydrophobicContact CB-CB 4.3Å; A286-F297 HydrophobicContact CB-CD2 4.19Å; A286-F297 PolarHBondContact O-N 2.84Å; A286-A331 HydrophobicContact CB-CB 4Å
287	I	98.7	Very high	95.8	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.3	172.4	-56.9	166.1	0	0	0	107.3	F284 V294 M295 F296 A428 F430 F439	F284-I287 HydrophobicContact CB-CD1 4.15Å; F284-I287 HydrophobicContact CB-CG1 4.02Å; F284-I287 HydrophobicContact CD2-CD1 3.77Å; F284-I287 HydrophobicContact CD2-CG1 4.38Å; F284-I287 HydrophobicContact CE2-CD1 4.46Å; F284-I287 HydrophobicContact CG-CD1 4.12Å; F284-I287 HydrophobicContact CG-CG1 4.23Å; I287-V294 HydrophobicContact CG2-CG1 3.6Å; I287-M295 WeakPolarHBondContact CA-O 3.44Å; I287-M295 WeakPolarHBondContact CG2-O 3.46Å; I287-F296 HydrophobicContact CB-CD1 4.48Å; I287-F296 HydrophobicContact CD1-CD1 3.51Å; I287-F296 HydrophobicContact CD1-CE1 3.76Å; I287-F296 HydrophobicContact CG1-CB 4.38Å; I287-F296 HydrophobicContact CG1-CD1 3.62Å; I287-F296 HydrophobicContact CG1-CE1 4.25Å; I287-F296 HydrophobicContact CG1-CG 4.26Å; I287-F296 HydrophobicContact CG2-CD1 4Å; I287-F296 HydrophobicContact CG2-CE1 4.11Å; I287-F296 HydrophobicContact CG2-CG 4.34Å; I287-A428 HydrophobicContact CB-CB 4.01Å; I287-A428 HydrophobicContact CD1-CB 3.62Å; I287-A428 HydrophobicContact CG1-CB 3.57Å; I287-F430 HydrophobicContact CB-CD1 4.19Å; I287-F430 HydrophobicContact CG2-CB 4.27Å; I287-F430 HydrophobicContact CG2-CD1 3.4Å; I287-F430 HydrophobicContact CG2-CE1 3.89Å; I287-F430 HydrophobicContact CG2-CG 4.05Å; I287-F439 HydrophobicContact CD1-CB 4.48Å; I287-F439 HydrophobicContact CD1-CD1 3.95Å; I287-F439 HydrophobicContact CD1-CD2 3.36Å; I287-F439 HydrophobicContact CD1-CE1 3.95Å; I287-F439 HydrophobicContact CD1-CE2 3.39Å; I287-F439 HydrophobicContact CD1-CG 3.66Å; I287-F439 HydrophobicContact CD1-CZ 3.68Å
288	T	98.1	Very high	96	Very high	3 Å²	3	39 Å²	39	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.4	173	-170.6	0	0	0	0	110.7	M295 F297 A331 Y332 E333 V340	T288-M295 PolarHBondContact N-O 3.29Å; T288-M295 PolarHBondContact O-N 2.98Å; T288-F297 HydrophobicContact CG2-CE2 3.83Å; T288-F297 HydrophobicContact CG2-CZ 4.44Å; T288-A331 HydrophobicContact CG2-CB 4Å; T288-Y332 WeakPolarHBondContact OG1-CA 3.24Å; T288-E333 PolarHBondContact OG1-N 3.38Å; T288-V340 HydrophobicContact CG2-CG1 3.86Å
289	T	95.8	Very high	96.2	Very high	23 Å²	23	40.2 Å²	40.2	14%	0.141	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	152.3	156.3	56.6	0	0	0	0	109.5	E293 V294 E333 F430 M431	T289-E293 CarbonylContact C-O 3.55Å; T289-E293 WeakPolarHBondContact CA-O 3.41Å; T289-V294 HydrophobicContact CG2-CG2 4.48Å; T289-E333 WeakPolarHBondContact CB-OE2 3.35Å; T289-E333 WeakPolarHBondContact O-CB 3.29Å; T289-E333 PolarHBondContact OG1-OE2 3.36Å; T289-F430 HydrophobicContact CG2-CD2 4.06Å; T289-M431 WeakPolarHBondContact CG2-O 3.48Å
290	I	93.5	Very high	96.3	Very high	15 Å²	15	38.1 Å²	38.1	8%	0.077	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	112.9	168.4	-176.5	172.2	0	0	0	108.4	G292 E293 M295 W321 E333 V340	I290-G292 PolarHBondContact O-N 3.12Å; I290-G292 VanDerWaalsContact O-N 3.13Å; I290-E293 PolarHBondContact N-O 2.82Å; I290-E293 PolarHBondContact O-N 2.52Å; I290-M295 HydrophobicContact CD1-CE 4.12Å; I290-M295 HydrophobicContact CG2-CB 4.46Å; I290-M295 HydrophobicContact CG2-CE 3.3Å; I290-M295 HydrophobicContact CG2-CG 3.68Å; I290-M295 HydrophobicContact CG2-SD 3.75Å; I290-W321 HydrophobicContact CD1-CH2 4.16Å; I290-W321 HydrophobicContact CD1-CZ2 4.07Å; I290-E333 WeakPolarHBondContact CA-OE1 3.44Å; I290-E333 WeakPolarHBondContact CA-OE2 3.42Å; I290-E333 PolarHBondContact N-OE2 3.23Å; I290-V340 HydrophobicContact CB-CG2 4.01Å; I290-V340 HydrophobicContact CD1-CG2 3.73Å; I290-V340 HydrophobicContact CG1-CG2 3.68Å
291	R	92	Very high	96.4	Very high	154 Å²	154	35.1 Å²	35.1	58%	0.581	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	40.5	179.7	-60.5	177.3	175.1	176.6	-3.4	113	E293 E333 D338	R291-E293 VanDerWaalsContact C-N 3.34Å; R291-E293 PolarHBondContact O-N 2.99Å; R291-E333 PolarHBondContact N-OE1 2.96Å; R291-D338 IonicContact CZ-OD1 3.92Å; R291-D338 IonicContact CZ-OD2 3.87Å; R291-D338 IonicContact NE-OD1 3.72Å; R291-D338 PolarHBondContact NE-OD1 3.43Å; R291-D338 IonicContact NE-OD2 2.82Å; R291-D338 IonicContact NH2-OD1 2.81Å; R291-D338 PolarHBondContact NH2-OD1 2.84Å; R291-D338 IonicContact NH2-OD2 3.01Å; R291-D338 PolarHBondContact NH2-OD2 3.5Å
292	G	89.8	Confident	96.5	Very high	60 Å²	60	27.8 Å²	27.8	62%	0.619	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.4	-13.1	179	0	0	0	0	0	115.9	I290	I290-G292 PolarHBondContact O-N 3.12Å; I290-G292 VanDerWaalsContact O-N 3.13Å
293	E	93.2	Very high	96.5	Very high	85 Å²	85	27.2 Å²	27.2	40%	0.397	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	160.6	170	-62.6	-169.7	158.7	0	0	110.9	T289 I290 R291 R304	T289-E293 CarbonylContact C-O 3.55Å; T289-E293 WeakPolarHBondContact CA-O 3.41Å; I290-E293 PolarHBondContact N-O 2.82Å; I290-E293 PolarHBondContact O-N 2.52Å; R291-E293 VanDerWaalsContact C-N 3.34Å; R291-E293 PolarHBondContact O-N 2.99Å; E293-R304 WeakPolarHBondContact OE2-CD 3.38Å; E293-R304 IonicContact OE2-CZ 2.99Å; E293-R304 IonicContact OE2-NE 3.44Å; E293-R304 IonicContact OE2-NH1 2.75Å; E293-R304 PolarHBondContact OE2-NH1 3.05Å
294	V	96.5	Very high	96.4	Very high	7 Å²	7	27 Å²	27	4%	0.042	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.5	172	-175.3	0	0	0	0	108	I287 T289 F296 F430 K432	I287-V294 HydrophobicContact CG2-CG1 3.6Å; T289-V294 HydrophobicContact CG2-CG2 4.48Å; V294-F296 HydrophobicContact CB-CE2 4.06Å; V294-F296 HydrophobicContact CB-CZ 4.49Å; V294-F296 HydrophobicContact CG1-CD2 4.19Å; V294-F296 HydrophobicContact CG1-CE1 4.44Å; V294-F296 HydrophobicContact CG1-CE2 3.56Å; V294-F296 HydrophobicContact CG1-CZ 3.69Å; V294-F430 HydrophobicContact CG1-CD1 4.26Å; V294-F430 HydrophobicContact CG1-CD2 4.27Å; V294-F430 HydrophobicContact CG1-CE1 3.97Å; V294-F430 HydrophobicContact CG1-CE2 4.02Å; V294-F430 HydrophobicContact CG1-CG 4.36Å; V294-F430 HydrophobicContact CG1-CZ 3.83Å; V294-F430 HydrophobicContact CG2-CD2 4.24Å; V294-F430 HydrophobicContact CG2-CE2 3.74Å; V294-F430 HydrophobicContact CG2-CZ 4.16Å; V294-K432 HydrophobicContact CG2-CD 4.24Å
295	M	97.6	Very high	96	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.039	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.1	173.9	-70.9	-170.5	-164.5	0	0	110.4	I287 T288 I290 F297 R304 F320 W321	I287-M295 WeakPolarHBondContact CA-O 3.44Å; I287-M295 WeakPolarHBondContact CG2-O 3.46Å; T288-M295 PolarHBondContact N-O 3.29Å; T288-M295 PolarHBondContact O-N 2.98Å; I290-M295 HydrophobicContact CD1-CE 4.12Å; I290-M295 HydrophobicContact CG2-CB 4.46Å; I290-M295 HydrophobicContact CG2-CE 3.3Å; I290-M295 HydrophobicContact CG2-CG 3.68Å; I290-M295 HydrophobicContact CG2-SD 3.75Å; M295-F297 HydrophobicContact CB-CE1 4.48Å; M295-F297 HydrophobicContact CB-CE2 3.83Å; M295-F297 HydrophobicContact CB-CZ 3.68Å; M295-F297 HydrophobicContact SD-CZ 4.07Å; M295-R304 HydrophobicContact CG-CB 4.44Å; M295-F320 HydrophobicContact CE-CE2 4.42Å; M295-W321 HydrophobicContact CE-CH2 4.36Å; M295-W321 HydrophobicContact SD-CH2 3.96Å; M295-W321 HydrophobicContact SD-CZ3 4.33Å
296	F	98.4	Very high	95.4	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.7	176.5	-57.7	-104.5	0	0	0	108.8	F284 I287 V294 Y302 M303 F439 W463 F464	F284-F296 HydrophobicContact CD1-CB 3.76Å; F284-F296 HydrophobicContact CD1-CD1 4.18Å; F284-F296 HydrophobicContact CD1-CG 4.45Å; F284-F296 AromaticContact CD2-CD1 3.99Å; F284-F296 HydrophobicContact CD2-CD1 3.99Å; F284-F296 HydrophobicContact CE1-CB 3.68Å; F284-F296 AromaticContact CE1-CD1 3.9Å; F284-F296 HydrophobicContact CE1-CD1 3.9Å; F284-F296 HydrophobicContact CE1-CG 4.11Å; F284-F296 AromaticContact CE2-CD1 3.68Å; F284-F296 HydrophobicContact CE2-CD1 3.68Å; F284-F296 HydrophobicContact CE2-CE1 4.19Å; F284-F296 HydrophobicContact CG-CB 4.43Å; F284-F296 HydrophobicContact CG-CD1 4.21Å; F284-F296 HydrophobicContact CZ-CB 4.28Å; F284-F296 AromaticContact CZ-CD1 3.63Å; F284-F296 HydrophobicContact CZ-CD1 3.63Å; F284-F296 HydrophobicContact CZ-CE1 4.33Å; F284-F296 HydrophobicContact CZ-CG 4.22Å; I287-F296 HydrophobicContact CB-CD1 4.48Å; I287-F296 HydrophobicContact CD1-CD1 3.51Å; I287-F296 HydrophobicContact CD1-CE1 3.76Å; I287-F296 HydrophobicContact CG1-CB 4.38Å; I287-F296 HydrophobicContact CG1-CD1 3.62Å; I287-F296 HydrophobicContact CG1-CE1 4.25Å; I287-F296 HydrophobicContact CG1-CG 4.26Å; I287-F296 HydrophobicContact CG2-CD1 4Å; I287-F296 HydrophobicContact CG2-CE1 4.11Å; I287-F296 HydrophobicContact CG2-CG 4.34Å; V294-F296 HydrophobicContact CB-CE2 4.06Å; V294-F296 HydrophobicContact CB-CZ 4.49Å; V294-F296 HydrophobicContact CG1-CD2 4.19Å; V294-F296 HydrophobicContact CG1-CE1 4.44Å; V294-F296 HydrophobicContact CG1-CE2 3.56Å; V294-F296 HydrophobicContact CG1-CZ 3.69Å; F296-Y302 CarbonylContact O-C 3.46Å; F296-Y302 VanDerWaalsContact O-CA 3.25Å; F296-Y302 WeakPolarHBondContact O-CA 3.42Å; F296-M303 HydrophobicContact CB-CB 4.19Å; F296-M303 WeakPolarHBondContact CD2-O 3.37Å; F296-M303 PolarHBondContact N-O 2.75Å; F296-M303 PolarHBondContact O-N 3.15Å; F296-F439 HydrophobicContact CE1-CE1 4.41Å; F296-F439 HydrophobicContact CE1-CZ 4.11Å; F296-W463 HydrophobicContact CE1-CB 4.48Å; F296-W463 AromaticContact CE1-CD1 4Å; F296-W463 HydrophobicContact CE1-CG 4.3Å; F296-W463 HydrophobicContact CE2-CB 4.29Å; F296-W463 HydrophobicContact CZ-CB 3.7Å; F296-W463 AromaticContact CZ-CD1 3.74Å; F296-W463 HydrophobicContact CZ-CD2 4.26Å; F296-W463 AromaticContact CZ-CG 3.62Å; F296-W463 HydrophobicContact CZ-CG 3.62Å; F296-F464 HydrophobicContact CB-CZ 4.23Å; F296-F464 HydrophobicContact CD1-CZ 4.16Å; F296-F464 AromaticContact CD2-CE1 3.66Å; F296-F464 HydrophobicContact CD2-CE1 3.66Å; F296-F464 AromaticContact CD2-CZ 3.73Å; F296-F464 HydrophobicContact CD2-CZ 3.73Å; F296-F464 AromaticContact CE2-CE1 3.71Å; F296-F464 HydrophobicContact CE2-CE1 3.71Å; F296-F464 HydrophobicContact CE2-CZ 4.12Å; F296-F464 HydrophobicContact CG-CE1 4.2Å; F296-F464 AromaticContact CG-CZ 3.79Å; F296-F464 HydrophobicContact CG-CZ 3.79Å; F296-F464 HydrophobicContact CZ-CE1 4.27Å; F296-F464 HydrophobicContact CZ-CZ 4.5Å
297	F	98.4	Very high	94.8	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.8	-176.9	-60	-80.4	0	0	0	111	D285 A286 T288 M295 F301 I317 W321 L328 A331 F342	D285-F297 PolarHBondContact N-O 2.85Å; A286-F297 HydrophobicContact CB-CB 4.3Å; A286-F297 HydrophobicContact CB-CD2 4.19Å; A286-F297 PolarHBondContact O-N 2.84Å; T288-F297 HydrophobicContact CG2-CE2 3.83Å; T288-F297 HydrophobicContact CG2-CZ 4.44Å; M295-F297 HydrophobicContact CB-CE1 4.48Å; M295-F297 HydrophobicContact CB-CE2 3.83Å; M295-F297 HydrophobicContact CB-CZ 3.68Å; M295-F297 HydrophobicContact SD-CZ 4.07Å; F297-F301 WeakPolarHBondContact CA-O 3.42Å; F297-I317 HydrophobicContact CD1-CD1 3.77Å; F297-I317 HydrophobicContact CD1-CG1 3.85Å; F297-I317 HydrophobicContact CE1-CG1 4.31Å; F297-W321 HydrophobicContact CE1-CZ3 4.19Å; F297-W321 HydrophobicContact CZ-CZ3 4.32Å; F297-L328 HydrophobicContact CD1-CD1 4.17Å; F297-L328 HydrophobicContact CG-CD1 4.27Å; F297-A331 HydrophobicContact CD2-CB 4.48Å; F297-A331 HydrophobicContact CE2-CB 4.33Å; F297-F342 HydrophobicContact CD2-CE1 4.44Å; F297-F342 HydrophobicContact CE1-CE1 4.1Å; F297-F342 HydrophobicContact CE1-CZ 4.45Å; F297-F342 AromaticContact CE2-CE1 3.73Å; F297-F342 HydrophobicContact CE2-CE1 3.73Å; F297-F342 HydrophobicContact CE2-CZ 4.49Å; F297-F342 AromaticContact CZ-CE1 3.53Å; F297-F342 HydrophobicContact CZ-CE1 3.53Å; F297-F342 AromaticContact CZ-CZ 3.92Å; F297-F342 HydrophobicContact CZ-CZ 3.92Å
298	K	97.6	Very high	94.2	Very high	37 Å²	37	38.1 Å²	38.1	16%	0.161	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	119.9	174.3	-176.6	55.2	178.7	178	0	111	P275 T283 D285 R300 F301 M303	P275-K298 HydrophobicContact CB-CB 4.46Å; P275-K298 HydrophobicContact CB-CG 3.98Å; P275-K298 HydrophobicContact CG-CB 4.25Å; P275-K298 HydrophobicContact CG-CG 4.13Å; T283-K298 WeakPolarHBondContact O-CD 3.14Å; D285-K298 VanDerWaalsContact OD1-CD 3.29Å; D285-K298 WeakPolarHBondContact OD1-CD 3.5Å; D285-K298 IonicContact OD1-NZ 2.75Å; D285-K298 PolarHBondContact OD1-NZ 2.86Å; K298-R300 PolarHBondContact O-N 2.77Å; K298-F301 PolarHBondContact N-O 3.09Å; K298-F301 PolarHBondContact O-N 2.91Å; K298-M303 HydrophobicContact CB-CE 3.58Å
299	D	95.4	Very high	93.7	Very high	70 Å²	70	39.4 Å²	39.4	37%	0.374	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	-96	-179.7	-57.9	-58.1	0	0	0	112.5	D285 G327	D285-D299 PolarHBondContact OD2-N 2.72Å; D299-G327 PolarHBondContact O-N 3.44Å
300	R	95.6	Very high	93	Very high	21 Å²	21	43.1 Å²	43.1	8%	0.079	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-2.1	179.1	-53.4	-173	-67.9	169.1	-2.4	113.1	G233 S243 K298 F316 I317 K326	G233-R300 PolarHBondContact O-NH2 3.01Å; S243-R300 PolarHBondContact OG-NH1 3.05Å; K298-R300 PolarHBondContact O-N 2.77Å; R300-F316 HydrophobicContact CB-CD1 3.93Å; R300-F316 HydrophobicContact CB-CE1 4.1Å; R300-F316 WeakPolarHBondContact O-CA 3.38Å; R300-I317 WeakPolarHBondContact O-CG1 3.27Å; R300-I317 PolarHBondContact O-N 3.24Å; R300-K326 HydrophobicContact CG-CB 4.22Å; R300-K326 HydrophobicContact CG-CD 3.91Å; R300-K326 HydrophobicContact CG-CG 3.89Å
301	F	97.4	Very high	92.5	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.4	-166.7	-53.9	-82.5	0	0	0	112.1	I232 T274 P275 F297 K298 L314 N315 F316	I232-F301 HydrophobicContact CG2-CE1 4.33Å; T274-F301 HydrophobicContact CG2-CE1 4.33Å; T274-F301 HydrophobicContact CG2-CE2 4.42Å; T274-F301 HydrophobicContact CG2-CZ 4.1Å; P275-F301 HydrophobicContact CG-CB 4.26Å; P275-F301 HydrophobicContact CG-CD2 3.81Å; P275-F301 HydrophobicContact CG-CG 4.25Å; F297-F301 WeakPolarHBondContact CA-O 3.42Å; K298-F301 PolarHBondContact N-O 3.09Å; K298-F301 PolarHBondContact O-N 2.91Å; F301-L314 HydrophobicContact CB-CD2 4.46Å; F301-L314 HydrophobicContact CB-CG 4.47Å; F301-L314 HydrophobicContact CD1-CD2 3.71Å; F301-L314 HydrophobicContact CE1-CD2 4.21Å; F301-L314 HydrophobicContact CG-CD2 4.22Å; F301-N315 CarbonylContact C-O 3.59Å; F301-N315 WeakPolarHBondContact CA-O 3.36Å; F301-F316 HydrophobicContact CD1-CD1 4.23Å; F301-F316 HydrophobicContact CD1-CE1 4.36Å; F301-F316 HydrophobicContact CD1-CG 4.47Å; F301-F316 AromaticContact CE1-CD1 4Å; F301-F316 HydrophobicContact CE1-CD1 4Å; F301-F316 HydrophobicContact CE1-CD2 4.47Å; F301-F316 AromaticContact CE1-CE1 3.68Å; F301-F316 HydrophobicContact CE1-CE1 3.68Å; F301-F316 HydrophobicContact CE1-CE2 4.21Å; F301-F316 HydrophobicContact CE1-CG 4.39Å; F301-F316 AromaticContact CE1-CZ 3.81Å; F301-F316 HydrophobicContact CE1-CZ 3.81Å; F301-F316 HydrophobicContact CZ-CE1 4.01Å; F301-F316 HydrophobicContact CZ-CZ 4.24Å
302	Y	97.5	Very high	92.5	Very high	2 Å²	2	40 Å²	40	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	154.5	158	75.8	-93.3	0	0	0	109.6	F296 R304 E313 L314 N315 F316 F320	F296-Y302 CarbonylContact O-C 3.46Å; F296-Y302 VanDerWaalsContact O-CA 3.25Å; F296-Y302 WeakPolarHBondContact O-CA 3.42Å; Y302-R304 HydrophobicContact CD2-CG 4.39Å; Y302-R304 HydrophobicContact CE2-CG 4.16Å; Y302-E313 HydrophobicContact CE2-CG 4.18Å; Y302-E313 PolarHBondContact OH-OE1 3.19Å; Y302-L314 WeakPolarHBondContact O-CA 3.33Å; Y302-N315 HydrophobicContact CD1-CB 4.43Å; Y302-N315 WeakPolarHBondContact CD1-O 3.47Å; Y302-N315 HydrophobicContact CE1-CB 3.62Å; Y302-N315 PolarHBondContact N-O 3.44Å; Y302-N315 PolarHBondContact O-N 3.15Å; Y302-N315 VanDerWaalsContact O-N 3.15Å; Y302-F316 WeakPolarHBondContact CD1-O 3.43Å; Y302-F316 WeakPolarHBondContact CE1-O 3.03Å; Y302-F320 HydrophobicContact CD1-CD2 4.22Å; Y302-F320 HydrophobicContact CD1-CE2 4.09Å; Y302-F320 HydrophobicContact CD2-CE2 4.5Å; Y302-F320 AromaticContact CE1-CD2 3.86Å; Y302-F320 HydrophobicContact CE1-CD2 3.86Å; Y302-F320 AromaticContact CE1-CE2 3.44Å; Y302-F320 HydrophobicContact CE1-CE2 3.44Å; Y302-F320 VanDerWaalsContact CE1-CE2 3.44Å; Y302-F320 HydrophobicContact CE1-CZ 4.26Å; Y302-F320 AromaticContact CE2-CE2 3.96Å; Y302-F320 HydrophobicContact CE2-CE2 3.96Å; Y302-F320 AromaticContact CZ-CE2 3.39Å; Y302-F320 AromaticContact CZ-CZ 3.93Å
303	M	97.6	Very high	92.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.1	171	-69.7	159.3	-82.5	0	0	108.5	P275 V277 L282 F284 F296 K298 V312 E313 L314 F464	P275-M303 HydrophobicContact CG-CE 4.38Å; V277-M303 HydrophobicContact CG2-CG 4.49Å; V277-M303 HydrophobicContact CG2-SD 4.2Å; L282-M303 HydrophobicContact CD2-SD 4.31Å; F284-M303 HydrophobicContact CD1-CE 3.92Å; F284-M303 HydrophobicContact CE1-CE 3.68Å; F284-M303 HydrophobicContact CE1-SD 4.18Å; F296-M303 HydrophobicContact CB-CB 4.19Å; F296-M303 WeakPolarHBondContact CD2-O 3.37Å; F296-M303 PolarHBondContact N-O 2.75Å; F296-M303 PolarHBondContact O-N 3.15Å; K298-M303 HydrophobicContact CB-CE 3.58Å; M303-V312 HydrophobicContact CB-CG2 4.03Å; M303-V312 HydrophobicContact CG-CG1 4.4Å; M303-E313 CarbonylContact C-O 3.54Å; M303-E313 VanDerWaalsContact CA-O 3.23Å; M303-E313 WeakPolarHBondContact CA-O 3.47Å; M303-L314 HydrophobicContact CG-CB 4.23Å; M303-L314 HydrophobicContact CG-CD1 3.98Å; M303-L314 HydrophobicContact CG-CG 4.09Å; M303-L314 HydrophobicContact SD-CD1 4.32Å; M303-F464 HydrophobicContact CB-CE1 4.47Å; M303-F464 HydrophobicContact CB-CZ 3.98Å; M303-F464 HydrophobicContact SD-CE2 4.28Å; M303-F464 HydrophobicContact SD-CZ 4.41Å
304	R	94.8	Very high	92.8	Very high	37 Å²	37	34.3 Å²	34.3	14%	0.14	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	149.6	171	66.9	176.3	177.3	177.4	-7.2	111.8	E293 M295 Y302 N306 V312 E313	E293-R304 WeakPolarHBondContact OE2-CD 3.38Å; E293-R304 IonicContact OE2-CZ 2.99Å; E293-R304 IonicContact OE2-NE 3.44Å; E293-R304 IonicContact OE2-NH1 2.75Å; E293-R304 PolarHBondContact OE2-NH1 3.05Å; M295-R304 HydrophobicContact CG-CB 4.44Å; Y302-R304 HydrophobicContact CD2-CG 4.39Å; Y302-R304 HydrophobicContact CE2-CG 4.16Å; R304-N306 PolarHBondContact O-N 3.38Å; R304-V312 WeakPolarHBondContact O-CG2 3.37Å; R304-E313 HydrophobicContact CG-CB 4.17Å; R304-E313 IonicContact CZ-OE1 2.67Å; R304-E313 IonicContact CZ-OE2 2.57Å; R304-E313 VanDerWaalsContact CZ-OE2 3.3Å; R304-E313 PolarHBondContact N-O 3.13Å; R304-E313 VanDerWaalsContact NE-CD 3.35Å; R304-E313 IonicContact NE-OE1 2.74Å; R304-E313 PolarHBondContact NE-OE1 2.81Å; R304-E313 IonicContact NE-OE2 2.88Å; R304-E313 PolarHBondContact NE-OE2 3.02Å; R304-E313 IonicContact NH2-OE1 3.91Å; R304-E313 PolarHBondContact NH2-OE1 2.76Å; R304-E313 IonicContact NH2-OE2 3.02Å; R304-E313 PolarHBondContact NH2-OE2 2.75Å; R304-E313 PolarHBondContact O-N 2.53Å
305	T	90.3	Very high	92.8	Very high	73 Å²	73	34.8 Å²	34.8	45%	0.448	18%	0.176	S	C	.	.			trans	-64.3	123.9	173.7	53.3	0	0	0	0	109.5	F464	T305-F464 HydrophobicContact CG2-CD1 4.44Å
306	N	86.8	Confident	92.7	Very high	23 Å²	23	34.5 Å²	34.5	12%	0.123	18%	0.175	C	C	.	.			trans	-138.6	127	178	-179.3	-30.7	0	0	0	108.6	R304 F308 Y309 E313	R304-N306 PolarHBondContact O-N 3.38Å; N306-F308 PolarHBondContact O-N 3.08Å; N306-F308 VanDerWaalsContact O-N 3.15Å; N306-F308 WeakPolarHBondContact OD1-CB 3.41Å; N306-F308 VanDerWaalsContact OD1-CD2 3.24Å; N306-F308 WeakPolarHBondContact OD1-CD2 3.35Å; N306-F308 PolarHBondContact OD1-N 3.24Å; N306-Y309 HydrophobicContact CB-CD2 3.88Å; N306-Y309 PolarHBondContact O-N 2.78Å; N306-Y309 VanDerWaalsContact O-N 3.14Å; N306-E313 HydrophobicContact CB-CB 3.76Å; N306-E313 PolarHBondContact ND2-OE2 2.99Å
307	P	86.4	Confident	92.7	Very high	105 Å²	105	35 Å²	35	68%	0.682	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-16	-176	27.4	-36.9	0	0	0	114.7
308	F	86.2	Confident	92.5	Very high	74 Å²	74	35.9 Å²	35.9	33%	0.325	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.8	177.6	-61.4	-72.5	0	0	0	113.6	K74 D80 E82 N306	K74-F308 WeakPolarHBondContact CB-O 3.34Å; K74-F308 PolarHBondContact N-O 3.41Å; D80-F308 HydrophobicContact CB-CD1 4.19Å; D80-F308 HydrophobicContact CB-CE1 4.11Å; E82-F308 HydrophobicContact CB-CB 3.61Å; E82-F308 HydrophobicContact CB-CD1 4.3Å; E82-F308 HydrophobicContact CB-CD2 4.13Å; E82-F308 HydrophobicContact CB-CG 3.77Å; E82-F308 HydrophobicContact CG-CB 4.09Å; N306-F308 PolarHBondContact O-N 3.08Å; N306-F308 VanDerWaalsContact O-N 3.15Å; N306-F308 WeakPolarHBondContact OD1-CB 3.41Å; N306-F308 VanDerWaalsContact OD1-CD2 3.24Å; N306-F308 WeakPolarHBondContact OD1-CD2 3.35Å; N306-F308 PolarHBondContact OD1-N 3.24Å
309	Y	86.3	Confident	92.3	Very high	31 Å²	31	37.8 Å²	37.8	12%	0.122	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-106.3	149.6	175.5	-70.4	-92.8	0	0	0	110.8	G72 L73 E82 N306 V312 E313	G72-Y309 WeakPolarHBondContact O-CD1 3.27Å; L73-Y309 HydrophobicContact CD2-CD1 4.26Å; L73-Y309 HydrophobicContact CD2-CE1 3.72Å; L73-Y309 HydrophobicContact CD2-CE2 4.25Å; E82-Y309 HydrophobicContact CG-CE2 3.8Å; N306-Y309 HydrophobicContact CB-CD2 3.88Å; N306-Y309 PolarHBondContact O-N 2.78Å; N306-Y309 VanDerWaalsContact O-N 3.14Å; Y309-V312 WeakPolarHBondContact CB-O 3.42Å; Y309-E313 HydrophobicContact CD2-CB 3.65Å; Y309-E313 HydrophobicContact CD2-CG 4.14Å; Y309-E313 HydrophobicContact CE2-CB 3.74Å; Y309-E313 HydrophobicContact CE2-CG 3.67Å; Y309-E313 HydrophobicContact CG-CB 4.19Å
310	Q	80.8	Confident	92.2	Very high	100 Å²	100	35.7 Å²	35.7	47%	0.467	19%	0.186	S	C	.	.	S	Bend	trans	-67.4	-42.9	-177.8	-63.5	-169	21.4	0	0	112.6	L73 N465	L73-Q310 PolarHBondContact O-NE2 3.12Å; Q310-N465 PolarHBondContact O-ND2 2.98Å
311	E	84.8	Confident	92.2	Very high	93 Å²	93	34.9 Å²	34.9	44%	0.435	18%	0.183	S	C	.	.	S	Bend	trans	-111.9	-60.2	-176	-60.4	-176.9	170.1	0	0	111.2	C278	C278-E311 PolarHBondContact SG-OE2 3.37Å
312	V	91.3	Very high	91.9	Very high	11 Å²	11	37.4 Å²	37.4	7%	0.067	20%	0.2	C	C	.	.			trans	-159.8	154.2	-177.8	81	0	0	0	0	109.3	V277 M303 R304 Y309 L314 F464	V277-V312 HydrophobicContact CB-CG1 3.84Å; V277-V312 HydrophobicContact CG1-CB 3.8Å; V277-V312 HydrophobicContact CG1-CG1 3.33Å; V277-V312 HydrophobicContact CG2-CG1 3.23Å; M303-V312 HydrophobicContact CB-CG2 4.03Å; M303-V312 HydrophobicContact CG-CG1 4.4Å; R304-V312 WeakPolarHBondContact O-CG2 3.37Å; Y309-V312 WeakPolarHBondContact CB-O 3.42Å; V312-L314 HydrophobicContact CG1-CB 4.35Å; V312-F464 HydrophobicContact CB-CD1 4.2Å; V312-F464 HydrophobicContact CB-CG 4.42Å; V312-F464 HydrophobicContact CG2-CD1 3.61Å; V312-F464 HydrophobicContact CG2-CE1 3.65Å; V312-F464 HydrophobicContact CG2-CG 4.27Å; V312-F464 HydrophobicContact CG2-CZ 4.3Å
313	E	93.9	Very high	91.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.3	162.1	178.7	-175.8	160.4	0	0	108.3	Y302 M303 R304 N306 Y309	Y302-E313 HydrophobicContact CE2-CG 4.18Å; Y302-E313 PolarHBondContact OH-OE1 3.19Å; M303-E313 CarbonylContact C-O 3.54Å; M303-E313 VanDerWaalsContact CA-O 3.23Å; M303-E313 WeakPolarHBondContact CA-O 3.47Å; R304-E313 HydrophobicContact CG-CB 4.17Å; R304-E313 IonicContact CZ-OE1 2.67Å; R304-E313 IonicContact CZ-OE2 2.57Å; R304-E313 VanDerWaalsContact CZ-OE2 3.3Å; R304-E313 PolarHBondContact N-O 3.13Å; R304-E313 VanDerWaalsContact NE-CD 3.35Å; R304-E313 IonicContact NE-OE1 2.74Å; R304-E313 PolarHBondContact NE-OE1 2.81Å; R304-E313 IonicContact NE-OE2 2.88Å; R304-E313 PolarHBondContact NE-OE2 3.02Å; R304-E313 IonicContact NH2-OE1 3.91Å; R304-E313 PolarHBondContact NH2-OE1 2.76Å; R304-E313 IonicContact NH2-OE2 3.02Å; R304-E313 PolarHBondContact NH2-OE2 2.75Å; R304-E313 PolarHBondContact O-N 2.53Å; N306-E313 HydrophobicContact CB-CB 3.76Å; N306-E313 PolarHBondContact ND2-OE2 2.99Å; Y309-E313 HydrophobicContact CD2-CB 3.65Å; Y309-E313 HydrophobicContact CD2-CG 4.14Å; Y309-E313 HydrophobicContact CE2-CB 3.74Å; Y309-E313 HydrophobicContact CE2-CG 3.67Å; Y309-E313 HydrophobicContact CG-CB 4.19Å
314	L	95.4	Very high	91.4	Very high	25 Å²	25	42.7 Å²	42.7	13%	0.131	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.1	173.6	-178	154.7	0	0	0	108.5	I232 T274 P275 V277 F301 Y302 M303 V312	I232-L314 HydrophobicContact CG2-CD2 3.33Å; T274-L314 HydrophobicContact CG2-CD1 4.32Å; T274-L314 HydrophobicContact CG2-CD2 3.9Å; P275-L314 HydrophobicContact CG-CD1 4.05Å; P275-L314 VanDerWaalsContact O-CD1 3.32Å; P275-L314 WeakPolarHBondContact O-CD1 3.25Å; V277-L314 HydrophobicContact CG2-CD1 3.78Å; F301-L314 HydrophobicContact CB-CD2 4.46Å; F301-L314 HydrophobicContact CB-CG 4.47Å; F301-L314 HydrophobicContact CD1-CD2 3.71Å; F301-L314 HydrophobicContact CE1-CD2 4.21Å; F301-L314 HydrophobicContact CG-CD2 4.22Å; Y302-L314 WeakPolarHBondContact O-CA 3.33Å; M303-L314 HydrophobicContact CG-CB 4.23Å; M303-L314 HydrophobicContact CG-CD1 3.98Å; M303-L314 HydrophobicContact CG-CG 4.09Å; M303-L314 HydrophobicContact SD-CD1 4.32Å; V312-L314 HydrophobicContact CG1-CB 4.35Å
315	N	95.9	Very high	91.4	Very high	16 Å²	16	42.4 Å²	42.4	9%	0.086	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	172.6	176.6	-151	-32.5	0	0	0	110.8	I232 F301 Y302 V319	I232-N315 HydrophobicContact CD1-CB 4.26Å; F301-N315 CarbonylContact C-O 3.59Å; F301-N315 WeakPolarHBondContact CA-O 3.36Å; Y302-N315 HydrophobicContact CD1-CB 4.43Å; Y302-N315 WeakPolarHBondContact CD1-O 3.47Å; Y302-N315 HydrophobicContact CE1-CB 3.62Å; Y302-N315 PolarHBondContact N-O 3.44Å; Y302-N315 PolarHBondContact O-N 3.15Å; Y302-N315 VanDerWaalsContact O-N 3.15Å; N315-V319 WeakPolarHBondContact OD1-CG2 3.21Å
316	F	96.3	Very high	91.5	Very high	3 Å²	3	41.4 Å²	41.4	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	141.2	178.1	-71.3	-83.3	0	0	0	112.2	I232 T241 S243 R300 F301 Y302 S318 V319	I232-F316 HydrophobicContact CG1-CE2 4.46Å; I232-F316 WeakPolarHBondContact O-CE2 3.26Å; T241-F316 HydrophobicContact CG2-CD2 3.83Å; T241-F316 HydrophobicContact CG2-CE2 3.88Å; S243-F316 WeakPolarHBondContact OG-CE1 3.26Å; R300-F316 HydrophobicContact CB-CD1 3.93Å; R300-F316 HydrophobicContact CB-CE1 4.1Å; R300-F316 WeakPolarHBondContact O-CA 3.38Å; F301-F316 HydrophobicContact CD1-CD1 4.23Å; F301-F316 HydrophobicContact CD1-CE1 4.36Å; F301-F316 HydrophobicContact CD1-CG 4.47Å; F301-F316 AromaticContact CE1-CD1 4Å; F301-F316 HydrophobicContact CE1-CD1 4Å; F301-F316 HydrophobicContact CE1-CD2 4.47Å; F301-F316 AromaticContact CE1-CE1 3.68Å; F301-F316 HydrophobicContact CE1-CE1 3.68Å; F301-F316 HydrophobicContact CE1-CE2 4.21Å; F301-F316 HydrophobicContact CE1-CG 4.39Å; F301-F316 AromaticContact CE1-CZ 3.81Å; F301-F316 HydrophobicContact CE1-CZ 3.81Å; F301-F316 HydrophobicContact CZ-CE1 4.01Å; F301-F316 HydrophobicContact CZ-CZ 4.24Å; Y302-F316 WeakPolarHBondContact CD1-O 3.43Å; Y302-F316 WeakPolarHBondContact CE1-O 3.03Å; F316-S318 WeakPolarHBondContact CB-OG 3.34Å; F316-S318 PolarHBondContact O-N 3.19Å; F316-V319 HydrophobicContact CB-CG2 4.32Å; F316-V319 WeakPolarHBondContact O-CB 3.49Å; F316-V319 WeakPolarHBondContact O-CG2 3.24Å; F316-V319 PolarHBondContact O-N 2.98Å; F316-V319 VanDerWaalsContact O-N 3.13Å
317	I	97	Very high	91.8	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.051	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-56.7	-33.7	171.7	-61.6	170.8	0	0	0	110.8	F297 R300 V319 F320 W321 L324 L328	F297-I317 HydrophobicContact CD1-CD1 3.77Å; F297-I317 HydrophobicContact CD1-CG1 3.85Å; F297-I317 HydrophobicContact CE1-CG1 4.31Å; R300-I317 WeakPolarHBondContact O-CG1 3.27Å; R300-I317 PolarHBondContact O-N 3.24Å; I317-V319 PolarHBondContact O-N 3.05Å; I317-F320 PolarHBondContact O-N 3.31Å; I317-F320 VanDerWaalsContact O-N 3.16Å; I317-W321 HydrophobicContact CG2-CE3 4.03Å; I317-W321 PolarHBondContact O-N 3.46Å; I317-L324 HydrophobicContact CG2-CB 4.43Å; I317-L324 HydrophobicContact CG2-CD1 3.99Å; I317-L328 HydrophobicContact CD1-CD1 4.01Å; I317-L328 HydrophobicContact CD1-CG 4.45Å
318	S	95	Very high	92.4	Very high	21 Å²	21	36.6 Å²	36.6	15%	0.147	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-68.5	-14.4	-178.5	53.5	0	0	0	0	114.7	F242 F316 F320 P322	F242-S318 WeakPolarHBondContact O-CB 3.29Å; F242-S318 PolarHBondContact O-OG 2.93Å; F316-S318 WeakPolarHBondContact CB-OG 3.34Å; F316-S318 PolarHBondContact O-N 3.19Å; S318-F320 PolarHBondContact O-N 2.88Å; S318-P322 WeakPolarHBondContact O-CD 3.49Å
319	V	92.9	Very high	93	Very high	77 Å²	77	35.9 Å²	35.9	47%	0.467	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-59.1	-35.8	170.3	172.3	0	0	0	0	110.7	N315 F316 I317	N315-V319 WeakPolarHBondContact OD1-CG2 3.21Å; F316-V319 HydrophobicContact CB-CG2 4.32Å; F316-V319 WeakPolarHBondContact O-CB 3.49Å; F316-V319 WeakPolarHBondContact O-CG2 3.24Å; F316-V319 PolarHBondContact O-N 2.98Å; F316-V319 VanDerWaalsContact O-N 3.13Å; I317-V319 PolarHBondContact O-N 3.05Å
320	F	93.6	Very high	93.6	Very high	26 Å²	26	34.5 Å²	34.5	11%	0.114	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-43.1	174.8	-58.5	-48.8	0	0	0	112.2	M295 Y302 I317 S318 Q354	M295-F320 HydrophobicContact CE-CE2 4.42Å; Y302-F320 HydrophobicContact CD1-CD2 4.22Å; Y302-F320 HydrophobicContact CD1-CE2 4.09Å; Y302-F320 HydrophobicContact CD2-CE2 4.5Å; Y302-F320 AromaticContact CE1-CD2 3.86Å; Y302-F320 HydrophobicContact CE1-CD2 3.86Å; Y302-F320 AromaticContact CE1-CE2 3.44Å; Y302-F320 HydrophobicContact CE1-CE2 3.44Å; Y302-F320 VanDerWaalsContact CE1-CE2 3.44Å; Y302-F320 HydrophobicContact CE1-CZ 4.26Å; Y302-F320 AromaticContact CE2-CE2 3.96Å; Y302-F320 HydrophobicContact CE2-CE2 3.96Å; Y302-F320 AromaticContact CZ-CE2 3.39Å; Y302-F320 AromaticContact CZ-CZ 3.93Å; I317-F320 PolarHBondContact O-N 3.31Å; I317-F320 VanDerWaalsContact O-N 3.16Å; S318-F320 PolarHBondContact O-N 2.88Å; F320-Q354 HydrophobicContact CD1-CG 3.87Å
321	W	94.9	Very high	94.4	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.015	16%	0.162	C	C	.	.			trans	-135.5	77.5	-169.5	-50.3	-67.8	0	0	0	112	I290 M295 F297 I317 Q323 L324 F342 V351 G353 V356	I290-W321 HydrophobicContact CD1-CH2 4.16Å; I290-W321 HydrophobicContact CD1-CZ2 4.07Å; M295-W321 HydrophobicContact CE-CH2 4.36Å; M295-W321 HydrophobicContact SD-CH2 3.96Å; M295-W321 HydrophobicContact SD-CZ3 4.33Å; F297-W321 HydrophobicContact CE1-CZ3 4.19Å; F297-W321 HydrophobicContact CZ-CZ3 4.32Å; I317-W321 HydrophobicContact CG2-CE3 4.03Å; I317-W321 PolarHBondContact O-N 3.46Å; W321-Q323 PolarHBondContact O-N 3.29Å; W321-Q323 VanDerWaalsContact O-N 3.1Å; W321-L324 HydrophobicContact CB-CB 4.36Å; W321-L324 HydrophobicContact CB-CD1 3.53Å; W321-L324 HydrophobicContact CB-CG 3.62Å; W321-L324 HydrophobicContact CD2-CD1 4.1Å; W321-L324 HydrophobicContact CE3-CD1 4Å; W321-L324 HydrophobicContact CG-CD1 3.96Å; W321-L324 HydrophobicContact CG-CG 4.44Å; W321-L324 PolarHBondContact O-N 2.87Å; W321-L324 VanDerWaalsContact O-N 3.09Å; W321-F342 HydrophobicContact CD2-CE2 4.16Å; W321-F342 HydrophobicContact CE3-CE2 4.09Å; W321-F342 HydrophobicContact CE3-CZ 4.02Å; W321-F342 HydrophobicContact CH2-CE2 4.32Å; W321-F342 AromaticContact CH2-CZ 3.9Å; W321-F342 HydrophobicContact CH2-CZ 3.9Å; W321-F342 HydrophobicContact CZ2-CE2 4.38Å; W321-F342 HydrophobicContact CZ2-CZ 4.38Å; W321-F342 HydrophobicContact CZ3-CE2 4.18Å; W321-F342 AromaticContact CZ3-CZ 3.7Å; W321-F342 HydrophobicContact CZ3-CZ 3.7Å; W321-V351 HydrophobicContact CG-CG1 4.22Å; W321-V351 HydrophobicContact CZ2-CG2 3.95Å; W321-G353 WeakPolarHBondContact CZ2-O 3.45Å; W321-G353 PolarHBondContact NE1-O 2.81Å; W321-V356 HydrophobicContact CB-CG2 4.17Å; W321-V356 HydrophobicContact CG-CG2 4.47Å
322	P	92	Very high	95.1	Very high	54 Å²	54	25.4 Å²	25.4	35%	0.351	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.1	-175.2	24.1	-29.9	0	0	0	113.9	S318	S318-P322 WeakPolarHBondContact O-CD 3.49Å
323	Q	90.4	Very high	95.4	Very high	93 Å²	93	25.6 Å²	25.6	44%	0.435	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.1	176.4	-47	79.2	17	0	0	113.2	W321 V356	W321-Q323 PolarHBondContact O-N 3.29Å; W321-Q323 VanDerWaalsContact O-N 3.1Å; Q323-V356 HydrophobicContact CB-CG2 4.38Å
324	L	94.8	Very high	95.5	Very high	19 Å²	19	25.9 Å²	25.9	10%	0.099	14%	0.143	C	C	.	.	S	Bend	trans	-74.4	144.8	177.1	-69.5	-177.1	0	0	0	111.1	I317 W321 F342 W349	I317-L324 HydrophobicContact CG2-CB 4.43Å; I317-L324 HydrophobicContact CG2-CD1 3.99Å; W321-L324 HydrophobicContact CB-CB 4.36Å; W321-L324 HydrophobicContact CB-CD1 3.53Å; W321-L324 HydrophobicContact CB-CG 3.62Å; W321-L324 HydrophobicContact CD2-CD1 4.1Å; W321-L324 HydrophobicContact CE3-CD1 4Å; W321-L324 HydrophobicContact CG-CD1 3.96Å; W321-L324 HydrophobicContact CG-CG 4.44Å; W321-L324 PolarHBondContact O-N 2.87Å; W321-L324 VanDerWaalsContact O-N 3.09Å; L324-F342 HydrophobicContact CD1-CB 4.46Å; L324-F342 HydrophobicContact CD1-CD2 3.46Å; L324-F342 VanDerWaalsContact CD1-CD2 3.46Å; L324-F342 HydrophobicContact CD1-CE2 3.66Å; L324-F342 HydrophobicContact CD1-CG 3.91Å; L324-F342 HydrophobicContact CD1-CZ 4.3Å; L324-F342 HydrophobicContact CD2-CB 4.26Å; L324-F342 HydrophobicContact CD2-CD2 4.09Å; L324-F342 HydrophobicContact CD2-CG 4.47Å; L324-F342 HydrophobicContact CG-CD2 4.44Å; L324-W349 HydrophobicContact CD2-CB 3.51Å; L324-W349 HydrophobicContact CD2-CD2 3.95Å; L324-W349 HydrophobicContact CD2-CE3 4.5Å; L324-W349 HydrophobicContact CD2-CG 3.51Å
325	P	94.4	Very high	95.5	Very high	31 Å²	31	26.7 Å²	26.7	20%	0.201	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-74.4	151.2	174.3	33.5	-36.6	0	0	0	111.4	L328 K344 W349	P325-L328 HydrophobicContact CG-CD2 4.21Å; P325-L328 WeakPolarHBondContact O-CD2 3.46Å; P325-K344 HydrophobicContact CB-CD 3.56Å; P325-K344 HydrophobicContact CG-CB 3.95Å; P325-K344 HydrophobicContact CG-CD 3.47Å; P325-K344 VanDerWaalsContact CG-CD 3.47Å; P325-K344 HydrophobicContact CG-CG 4.33Å; P325-W349 HydrophobicContact CG-CE3 4.43Å; P325-W349 HydrophobicContact CG-CH2 3.59Å; P325-W349 HydrophobicContact CG-CZ2 4.06Å; P325-W349 HydrophobicContact CG-CZ3 3.78Å
326	K	91.4	Very high	95.4	Very high	53 Å²	53	30.5 Å²	30.5	23%	0.23	17%	0.174	C	C	.	.	S	Bend	trans	-59.2	151.8	166.5	-54	174.9	178.8	171	0	110.6	S243 D245 R300 K344	S243-K326 WeakPolarHBondContact O-CE 3.29Å; D245-K326 PolarHBondContact O-NZ 3.22Å; D245-K326 IonicContact OD2-NZ 3.5Å; R300-K326 HydrophobicContact CG-CB 4.22Å; R300-K326 HydrophobicContact CG-CD 3.91Å; R300-K326 HydrophobicContact CG-CG 3.89Å; K326-K344 WeakPolarHBondContact O-CD 3.46Å; K326-K344 VanDerWaalsContact O-CE 3.24Å; K326-K344 WeakPolarHBondContact O-CE 3.44Å; K326-K344 PolarHBondContact O-NZ 3.15Å
327	G	94.4	Very high	95.4	Very high	24 Å²	24	34.9 Å²	34.9	25%	0.247	19%	0.19	C	C	.	.	S	Bend	trans	63.5	61.3	174.7	0	0	0	0	0	112.3	D299 K344	D299-G327 PolarHBondContact O-N 3.44Å; G327-K344 WeakPolarHBondContact O-CD 3.25Å; G327-K344 WeakPolarHBondContact O-CE 3.46Å
328	L	97.9	Very high	95.3	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.016	20%	0.2	C	C	.	.			trans	-60.4	156.7	170.2	-60.1	177.6	0	0	0	109.6	D285 F297 I317 P325 F342	D285-L328 WeakPolarHBondContact CB-O 3.24Å; F297-L328 HydrophobicContact CD1-CD1 4.17Å; F297-L328 HydrophobicContact CG-CD1 4.27Å; I317-L328 HydrophobicContact CD1-CD1 4.01Å; I317-L328 HydrophobicContact CD1-CG 4.45Å; P325-L328 HydrophobicContact CG-CD2 4.21Å; P325-L328 WeakPolarHBondContact O-CD2 3.46Å; L328-F342 HydrophobicContact CD1-CB 4.49Å; L328-F342 HydrophobicContact CD1-CD1 3.62Å; L328-F342 HydrophobicContact CD1-CE1 4.08Å; L328-F342 HydrophobicContact CD1-CG 4.23Å; L328-F342 HydrophobicContact CD2-CB 4.18Å
329	Q	98.6	Very high	95.4	Very high	59 Å²	59	37 Å²	37	28%	0.276	20%	0.199	S	C	.	.			trans	-123.3	-21.6	-176.5	-62.7	179.8	-58.7	0	0	113.5	D285 F343 H376 I377 D378	D285-Q329 CarbonylContact O-C 3.53Å; D285-Q329 VanDerWaalsContact O-O 3.13Å; Q329-F343 PolarHBondContact N-O 2.95Å; Q329-H376 VanDerWaalsContact OE1-CB 3.23Å; Q329-I377 CarbonylContact C-O 3.51Å; Q329-I377 WeakPolarHBondContact CB-O 3.36Å; Q329-D378 CarbonylContact O-C 3.44Å; Q329-D378 VanDerWaalsContact O-C 3.25Å
330	A	98.8	Very high	95.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	155.4	169.4	0	0	0	0	0	109.2	F343 I377 A380	A330-F343 HydrophobicContact CB-CB 4.05Å; A330-F343 HydrophobicContact CB-CD2 4.2Å; A330-F343 HydrophobicContact CB-CG 4.37Å; A330-F343 PolarHBondContact O-N 2.89Å; A330-I377 HydrophobicContact CB-CB 4.38Å; A330-I377 HydrophobicContact CB-CG2 3.92Å; A330-A380 HydrophobicContact CB-CB 4.05Å
331	A	98.8	Very high	95.9	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.6	173.7	0	0	0	0	0	109.3	A286 T288 F297 R341 F342	A286-A331 HydrophobicContact CB-CB 4Å; T288-A331 HydrophobicContact CG2-CB 4Å; F297-A331 HydrophobicContact CD2-CB 4.48Å; F297-A331 HydrophobicContact CE2-CB 4.33Å; A331-R341 CarbonylContact C-O 3.49Å; A331-R341 VanDerWaalsContact CA-O 3.22Å; A331-R341 WeakPolarHBondContact CA-O 3.39Å; A331-F342 HydrophobicContact CB-CD1 3.61Å; A331-F342 HydrophobicContact CB-CE1 3.81Å
332	Y	98.6	Very high	96.1	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154.2	166.9	73.3	-88.1	0	0	0	111.6	T288 F334 V340 R341 F343 A380 T389 F391 E402	T288-Y332 WeakPolarHBondContact OG1-CA 3.24Å; Y332-F334 HydrophobicContact CE2-CB 4.22Å; Y332-V340 CarbonylContact O-C 3.42Å; Y332-V340 WeakPolarHBondContact O-CA 3.42Å; Y332-R341 HydrophobicContact CD1-CB 4.25Å; Y332-R341 HydrophobicContact CE1-CB 3.92Å; Y332-R341 PolarHBondContact N-O 3.47Å; Y332-R341 PolarHBondContact O-N 2.91Å; Y332-R341 VanDerWaalsContact OH-CD 3.26Å; Y332-R341 WeakPolarHBondContact OH-CD 3.18Å; Y332-R341 PolarHBondContact OH-NH1 3.42Å; Y332-F343 AromaticContact CD1-CE2 3.64Å; Y332-F343 HydrophobicContact CD1-CE2 3.64Å; Y332-F343 HydrophobicContact CD1-CZ 4.28Å; Y332-F343 AromaticContact CE1-CE2 3.43Å; Y332-F343 HydrophobicContact CE1-CE2 3.43Å; Y332-F343 VanDerWaalsContact CE1-CE2 3.43Å; Y332-F343 AromaticContact CE1-CZ 3.61Å; Y332-F343 HydrophobicContact CE1-CZ 3.61Å; Y332-A380 HydrophobicContact CD1-CB 3.67Å; Y332-A380 HydrophobicContact CE1-CB 4.5Å; Y332-A380 HydrophobicContact CG-CB 4.31Å; Y332-T389 HydrophobicContact CD1-CG2 4.09Å; Y332-T389 HydrophobicContact CD2-CG2 4.01Å; Y332-T389 HydrophobicContact CE1-CG2 3.78Å; Y332-T389 HydrophobicContact CE2-CG2 3.67Å; Y332-T389 HydrophobicContact CG-CG2 4.18Å; Y332-F391 HydrophobicContact CD1-CE1 4.22Å; Y332-F391 AromaticContact CE1-CE1 3.63Å; Y332-F391 HydrophobicContact CE1-CE1 3.63Å; Y332-F391 AromaticContact CE1-CZ 3.81Å; Y332-F391 HydrophobicContact CE1-CZ 3.81Å; Y332-E402 WeakPolarHBondContact CE2-OE1 3.34Å; Y332-E402 PolarHBondContact OH-OE1 2.99Å
333	E	98	Very high	96.4	Very high	15 Å²	15	30 Å²	30	7%	0.07	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.7	170.9	175.8	173.8	-137.4	0	0	110.9	T288 T289 I290 R291 A335 E339 V340 S382	T288-E333 PolarHBondContact OG1-N 3.38Å; T289-E333 WeakPolarHBondContact CB-OE2 3.35Å; T289-E333 WeakPolarHBondContact O-CB 3.29Å; T289-E333 PolarHBondContact OG1-OE2 3.36Å; I290-E333 WeakPolarHBondContact CA-OE1 3.44Å; I290-E333 WeakPolarHBondContact CA-OE2 3.42Å; I290-E333 PolarHBondContact N-OE2 3.23Å; R291-E333 PolarHBondContact N-OE1 2.96Å; E333-A335 HydrophobicContact CG-CB 4.46Å; E333-E339 CarbonylContact C-O 3.48Å; E333-E339 WeakPolarHBondContact CA-O 3.43Å; E333-V340 HydrophobicContact CB-CG2 4.08Å; E333-V340 HydrophobicContact CG-CG2 4.3Å; E333-S382 VanDerWaalsContact O-CB 3.25Å; E333-S382 WeakPolarHBondContact O-CB 3.38Å
334	F	97.2	Very high	96.8	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	90	164.1	-176.7	-133.3	0	0	0	108.7	Y332 D336 R337 D338 E339 E402 Y403	Y332-F334 HydrophobicContact CE2-CB 4.22Å; F334-D336 VanDerWaalsContact C-N 3.3Å; F334-D336 HydrophobicContact CE1-CB 4.27Å; F334-D336 HydrophobicContact CE2-CB 4.01Å; F334-D336 HydrophobicContact CZ-CB 3.82Å; F334-D336 PolarHBondContact O-N 2.68Å; F334-R337 HydrophobicContact CD1-CB 3.89Å; F334-R337 HydrophobicContact CD1-CG 3.74Å; F334-R337 HydrophobicContact CE1-CB 4.23Å; F334-R337 HydrophobicContact CE1-CG 3.57Å; F334-R337 PolarHBondContact O-N 2.88Å; F334-R337 VanDerWaalsContact O-N 3.08Å; F334-D338 PolarHBondContact O-N 3.32Å; F334-E339 PolarHBondContact N-O 3.47Å; F334-E339 PolarHBondContact O-N 3.02Å; F334-E402 HydrophobicContact CD2-CB 4.13Å; F334-E402 HydrophobicContact CD2-CG 3.91Å; F334-E402 HydrophobicContact CE1-CB 4Å; F334-E402 HydrophobicContact CE1-CG 4.49Å; F334-E402 HydrophobicContact CE2-CB 3.62Å; F334-E402 HydrophobicContact CE2-CG 3.92Å; F334-E402 HydrophobicContact CG-CG 4.25Å; F334-E402 HydrophobicContact CZ-CB 3.54Å; F334-E402 HydrophobicContact CZ-CG 4.22Å; F334-Y403 HydrophobicContact CE2-CE1 4.37Å; F334-Y403 HydrophobicContact CZ-CD1 4.35Å; F334-Y403 AromaticContact CZ-CE1 3.91Å; F334-Y403 HydrophobicContact CZ-CE1 3.91Å
335	A	94.2	Very high	97	Very high	42 Å²	42	29.5 Å²	29.5	35%	0.347	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-56.4	-38.3	-169.1	0	0	0	0	0	113.7	E333 R337 D338 E384	E333-A335 HydrophobicContact CG-CB 4.46Å; A335-R337 PolarHBondContact O-N 3.12Å; A335-D338 PolarHBondContact O-N 3.05Å; A335-E384 HydrophobicContact CB-CG 4.19Å
336	D	94.6	Very high	97.1	Very high	96 Å²	96	31.1 Å²	31.1	51%	0.513	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-58.7	-22.3	179.1	-80.9	9.5	0	0	0	114.3	F334 Y403	F334-D336 VanDerWaalsContact C-N 3.3Å; F334-D336 HydrophobicContact CE1-CB 4.27Å; F334-D336 HydrophobicContact CE2-CB 4.01Å; F334-D336 HydrophobicContact CZ-CB 3.82Å; F334-D336 PolarHBondContact O-N 2.68Å; D336-Y403 WeakPolarHBondContact OD2-CE1 3.41Å; D336-Y403 VanDerWaalsContact OD2-CZ 3.26Å; D336-Y403 PolarHBondContact OD2-OH 3Å
337	R	94.9	Very high	97.5	Very high	96 Å²	96	33.3 Å²	33.3	36%	0.362	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-110.6	2.3	175.2	-68.5	-172	-173	165.5	11.9	113.5	F334 A335 E339 Q352	F334-R337 HydrophobicContact CD1-CB 3.89Å; F334-R337 HydrophobicContact CD1-CG 3.74Å; F334-R337 HydrophobicContact CE1-CB 4.23Å; F334-R337 HydrophobicContact CE1-CG 3.57Å; F334-R337 PolarHBondContact O-N 2.88Å; F334-R337 VanDerWaalsContact O-N 3.08Å; A335-R337 PolarHBondContact O-N 3.12Å; R337-E339 HydrophobicContact CB-CB 4.15Å; R337-E339 HydrophobicContact CB-CG 3.82Å; R337-E339 PolarHBondContact O-N 3.34Å; R337-Q352 PolarHBondContact O-NE2 3.42Å
338	D	95.8	Very high	97.7	Very high	49 Å²	49	32.7 Å²	32.7	26%	0.262	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	40.9	-170.9	-176.9	43.7	0	0	0	110.7	R291 F334 A335 Q352	R291-D338 IonicContact CZ-OD1 3.92Å; R291-D338 IonicContact CZ-OD2 3.87Å; R291-D338 IonicContact NE-OD1 3.72Å; R291-D338 PolarHBondContact NE-OD1 3.43Å; R291-D338 IonicContact NE-OD2 2.82Å; R291-D338 IonicContact NH2-OD1 2.81Å; R291-D338 PolarHBondContact NH2-OD1 2.84Å; R291-D338 IonicContact NH2-OD2 3.01Å; R291-D338 PolarHBondContact NH2-OD2 3.5Å; F334-D338 PolarHBondContact O-N 3.32Å; A335-D338 PolarHBondContact O-N 3.05Å; D338-Q352 WeakPolarHBondContact O-CG 3.44Å
339	E	97.1	Very high	97.7	Very high	26 Å²	26	33.7 Å²	33.7	12%	0.121	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.2	-177	-80.6	179.7	-163.3	0	0	110.4	E333 F334 R337 R341 V351 L357	E333-E339 CarbonylContact C-O 3.48Å; E333-E339 WeakPolarHBondContact CA-O 3.43Å; F334-E339 PolarHBondContact N-O 3.47Å; F334-E339 PolarHBondContact O-N 3.02Å; R337-E339 HydrophobicContact CB-CB 4.15Å; R337-E339 HydrophobicContact CB-CG 3.82Å; R337-E339 PolarHBondContact O-N 3.34Å; E339-R341 IonicContact OE2-CZ 3.67Å; E339-R341 IonicContact OE2-NE 3.45Å; E339-R341 PolarHBondContact OE2-NE 3.26Å; E339-R341 IonicContact OE2-NH2 3.79Å; E339-R341 PolarHBondContact OE2-NH2 2.97Å; E339-V351 CarbonylContact C-O 3.57Å; E339-V351 WeakPolarHBondContact CA-O 3.11Å; E339-L357 HydrophobicContact CG-CD1 4.1Å
340	V	98.4	Very high	97.7	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.024	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.1	163.2	-179.5	0	0	0	0	109	T288 I290 Y332 E333 F342 A350 V351	T288-V340 HydrophobicContact CG2-CG1 3.86Å; I290-V340 HydrophobicContact CB-CG2 4.01Å; I290-V340 HydrophobicContact CD1-CG2 3.73Å; I290-V340 HydrophobicContact CG1-CG2 3.68Å; Y332-V340 CarbonylContact O-C 3.42Å; Y332-V340 WeakPolarHBondContact O-CA 3.42Å; E333-V340 HydrophobicContact CB-CG2 4.08Å; E333-V340 HydrophobicContact CG-CG2 4.3Å; V340-F342 HydrophobicContact CB-CE2 4.49Å; V340-F342 HydrophobicContact CG1-CD2 4.49Å; V340-F342 HydrophobicContact CG1-CE1 4.05Å; V340-F342 HydrophobicContact CG1-CE2 3.93Å; V340-F342 HydrophobicContact CG1-CZ 3.68Å; V340-A350 CarbonylContact O-C 3.34Å; V340-A350 WeakPolarHBondContact O-CA 3.22Å; V340-V351 HydrophobicContact CB-CG2 3.7Å; V340-V351 HydrophobicContact CG1-CG2 4.46Å; V340-V351 PolarHBondContact N-O 3.31Å; V340-V351 WeakPolarHBondContact O-CG2 3.24Å; V340-V351 PolarHBondContact O-N 2.85Å
341	R	98.6	Very high	97.7	Very high	9 Å²	9	30.9 Å²	30.9	3%	0.034	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.3	-179.3	-70.8	169.7	-176.4	170.4	12.9	110.7	A331 Y332 E339 F343 Y348 W349 A350 E402	A331-R341 CarbonylContact C-O 3.49Å; A331-R341 VanDerWaalsContact CA-O 3.22Å; A331-R341 WeakPolarHBondContact CA-O 3.39Å; Y332-R341 HydrophobicContact CD1-CB 4.25Å; Y332-R341 HydrophobicContact CE1-CB 3.92Å; Y332-R341 PolarHBondContact N-O 3.47Å; Y332-R341 PolarHBondContact O-N 2.91Å; Y332-R341 VanDerWaalsContact OH-CD 3.26Å; Y332-R341 WeakPolarHBondContact OH-CD 3.18Å; Y332-R341 PolarHBondContact OH-NH1 3.42Å; E339-R341 IonicContact OE2-CZ 3.67Å; E339-R341 IonicContact OE2-NE 3.45Å; E339-R341 PolarHBondContact OE2-NE 3.26Å; E339-R341 IonicContact OE2-NH2 3.79Å; E339-R341 PolarHBondContact OE2-NH2 2.97Å; R341-F343 HydrophobicContact CB-CE2 3.83Å; R341-F343 HydrophobicContact CB-CZ 4.28Å; R341-Y348 HydrophobicContact CB-CD2 4.31Å; R341-Y348 HydrophobicContact CG-CD2 4.25Å; R341-Y348 HydrophobicContact CG-CE2 4.34Å; R341-W349 CarbonylContact C-O 3.58Å; R341-W349 VanDerWaalsContact CA-O 3.22Å; R341-W349 WeakPolarHBondContact CA-O 3.23Å; R341-A350 HydrophobicContact CG-CB 3.97Å; R341-E402 IonicContact CZ-OE1 3.67Å; R341-E402 IonicContact CZ-OE2 3.16Å; R341-E402 IonicContact NH1-OE1 3.57Å; R341-E402 PolarHBondContact NH1-OE1 3.23Å; R341-E402 IonicContact NH1-OE2 2.82Å; R341-E402 PolarHBondContact NH1-OE2 3.42Å; R341-E402 IonicContact NH2-OE2 2.73Å
342	F	98.8	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.8	-179.7	-63.7	-72.3	0	0	0	111.1	F297 W321 L324 L328 A331 V340 Y348 W349 V351	F297-F342 HydrophobicContact CD2-CE1 4.44Å; F297-F342 HydrophobicContact CE1-CE1 4.1Å; F297-F342 HydrophobicContact CE1-CZ 4.45Å; F297-F342 AromaticContact CE2-CE1 3.73Å; F297-F342 HydrophobicContact CE2-CE1 3.73Å; F297-F342 HydrophobicContact CE2-CZ 4.49Å; F297-F342 AromaticContact CZ-CE1 3.53Å; F297-F342 HydrophobicContact CZ-CE1 3.53Å; F297-F342 AromaticContact CZ-CZ 3.92Å; F297-F342 HydrophobicContact CZ-CZ 3.92Å; W321-F342 HydrophobicContact CD2-CE2 4.16Å; W321-F342 HydrophobicContact CE3-CE2 4.09Å; W321-F342 HydrophobicContact CE3-CZ 4.02Å; W321-F342 HydrophobicContact CH2-CE2 4.32Å; W321-F342 AromaticContact CH2-CZ 3.9Å; W321-F342 HydrophobicContact CH2-CZ 3.9Å; W321-F342 HydrophobicContact CZ2-CE2 4.38Å; W321-F342 HydrophobicContact CZ2-CZ 4.38Å; W321-F342 HydrophobicContact CZ3-CE2 4.18Å; W321-F342 AromaticContact CZ3-CZ 3.7Å; W321-F342 HydrophobicContact CZ3-CZ 3.7Å; L324-F342 HydrophobicContact CD1-CB 4.46Å; L324-F342 HydrophobicContact CD1-CD2 3.46Å; L324-F342 VanDerWaalsContact CD1-CD2 3.46Å; L324-F342 HydrophobicContact CD1-CE2 3.66Å; L324-F342 HydrophobicContact CD1-CG 3.91Å; L324-F342 HydrophobicContact CD1-CZ 4.3Å; L324-F342 HydrophobicContact CD2-CB 4.26Å; L324-F342 HydrophobicContact CD2-CD2 4.09Å; L324-F342 HydrophobicContact CD2-CG 4.47Å; L324-F342 HydrophobicContact CG-CD2 4.44Å; L328-F342 HydrophobicContact CD1-CB 4.49Å; L328-F342 HydrophobicContact CD1-CD1 3.62Å; L328-F342 HydrophobicContact CD1-CE1 4.08Å; L328-F342 HydrophobicContact CD1-CG 4.23Å; L328-F342 HydrophobicContact CD2-CB 4.18Å; A331-F342 HydrophobicContact CB-CD1 3.61Å; A331-F342 HydrophobicContact CB-CE1 3.81Å; V340-F342 HydrophobicContact CB-CE2 4.49Å; V340-F342 HydrophobicContact CG1-CD2 4.49Å; V340-F342 HydrophobicContact CG1-CE1 4.05Å; V340-F342 HydrophobicContact CG1-CE2 3.93Å; V340-F342 HydrophobicContact CG1-CZ 3.68Å; F342-Y348 CarbonylContact O-C 3.56Å; F342-Y348 WeakPolarHBondContact O-CA 3.43Å; F342-Y348 VanDerWaalsContact O-CB 3.26Å; F342-Y348 WeakPolarHBondContact O-CB 3.2Å; F342-W349 PolarHBondContact N-O 2.83Å; F342-W349 PolarHBondContact O-N 3.06Å; F342-V351 HydrophobicContact CD2-CG1 3.93Å; F342-V351 HydrophobicContact CD2-CG2 4.26Å; F342-V351 HydrophobicContact CE2-CB 4.43Å; F342-V351 HydrophobicContact CE2-CG1 3.88Å; F342-V351 HydrophobicContact CE2-CG2 3.59Å
343	F	98.8	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.4	-174.8	-65.6	-97.8	0	0	0	111.5	Q329 A330 Y332 R341 Y348 I364 F368 I377 F391	Q329-F343 PolarHBondContact N-O 2.95Å; A330-F343 HydrophobicContact CB-CB 4.05Å; A330-F343 HydrophobicContact CB-CD2 4.2Å; A330-F343 HydrophobicContact CB-CG 4.37Å; A330-F343 PolarHBondContact O-N 2.89Å; Y332-F343 AromaticContact CD1-CE2 3.64Å; Y332-F343 HydrophobicContact CD1-CE2 3.64Å; Y332-F343 HydrophobicContact CD1-CZ 4.28Å; Y332-F343 AromaticContact CE1-CE2 3.43Å; Y332-F343 HydrophobicContact CE1-CE2 3.43Å; Y332-F343 VanDerWaalsContact CE1-CE2 3.43Å; Y332-F343 AromaticContact CE1-CZ 3.61Å; Y332-F343 HydrophobicContact CE1-CZ 3.61Å; R341-F343 HydrophobicContact CB-CE2 3.83Å; R341-F343 HydrophobicContact CB-CZ 4.28Å; F343-Y348 VanDerWaalsContact CD1-CB 3.47Å; F343-Y348 HydrophobicContact CD1-CG 4.38Å; F343-Y348 VanDerWaalsContact CE1-CB 3.47Å; F343-Y348 HydrophobicContact CE1-CD2 4.34Å; F343-Y348 AromaticContact CE1-CG 3.9Å; F343-Y348 HydrophobicContact CE1-CG 3.9Å; F343-Y348 HydrophobicContact CZ-CD2 4.17Å; F343-Y348 HydrophobicContact CZ-CG 4.19Å; F343-I364 HydrophobicContact CD1-CG2 3.92Å; F343-I364 HydrophobicContact CE1-CG2 4.01Å; F343-F368 HydrophobicContact CE1-CD2 4.33Å; F343-F368 AromaticContact CE1-CE2 3.67Å; F343-F368 HydrophobicContact CE1-CE2 3.67Å; F343-F368 HydrophobicContact CE1-CZ 4.24Å; F343-F368 AromaticContact CZ-CE2 3.84Å; F343-F368 HydrophobicContact CZ-CE2 3.84Å; F343-F368 AromaticContact CZ-CZ 3.92Å; F343-F368 HydrophobicContact CZ-CZ 3.92Å; F343-I377 HydrophobicContact CD1-CD1 3.55Å; F343-I377 HydrophobicContact CD1-CG1 4.42Å; F343-I377 HydrophobicContact CE1-CD1 3.72Å; F343-I377 HydrophobicContact CG-CD1 4.3Å; F343-F391 HydrophobicContact CE1-CE1 4.08Å; F343-F391 HydrophobicContact CE2-CE1 4.18Å; F343-F391 AromaticContact CZ-CE1 3.67Å; F343-F391 HydrophobicContact CZ-CE1 3.67Å; F343-F391 HydrophobicContact CZ-CZ 4.23Å
344	K	98.6	Very high	96.9	Very high	79 Å²	79	40.7 Å²	40.7	34%	0.343	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	125.1	167.5	-170.5	-179	-177.5	-175.1	0	110.4	P325 K326 G327 N346 K347 W349	P325-K344 HydrophobicContact CB-CD 3.56Å; P325-K344 HydrophobicContact CG-CB 3.95Å; P325-K344 HydrophobicContact CG-CD 3.47Å; P325-K344 VanDerWaalsContact CG-CD 3.47Å; P325-K344 HydrophobicContact CG-CG 4.33Å; K326-K344 WeakPolarHBondContact O-CD 3.46Å; K326-K344 VanDerWaalsContact O-CE 3.24Å; K326-K344 WeakPolarHBondContact O-CE 3.44Å; K326-K344 PolarHBondContact O-NZ 3.15Å; G327-K344 WeakPolarHBondContact O-CD 3.25Å; G327-K344 WeakPolarHBondContact O-CE 3.46Å; K344-N346 PolarHBondContact O-N 3Å; K344-K347 PolarHBondContact N-O 2.57Å; K344-K347 PolarHBondContact O-N 3.48Å; K344-K347 VanDerWaalsContact O-N 3.09Å; K344-K347 VanDerWaalsContact O-O 3.12Å; K344-W349 HydrophobicContact CB-CZ3 4.08Å
345	G	98.4	Very high	96.7	Very high	24 Å²	24	46 Å²	46	25%	0.247	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	-130.7	-172.5	0	0	0	0	0	110.5	K347 K375 H376	G345-K347 VanDerWaalsContact C-N 3.29Å; G345-K347 PolarHBondContact O-N 2.71Å; G345-K375 CarbonylContact C-O 3.55Å; G345-K375 WeakPolarHBondContact CA-O 3.32Å; G345-H376 WeakPolarHBondContact O-CA 3.23Å
346	N	98.2	Very high	96.8	Very high	65 Å²	65	45.6 Å²	45.6	35%	0.348	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	10.6	177.5	66.3	-19.3	0	0	0	113.9	K344 D363 I364 Y365 K375	K344-N346 PolarHBondContact O-N 3Å; N346-D363 VanDerWaalsContact O-CA 3.29Å; N346-D363 WeakPolarHBondContact O-CA 3.25Å; N346-I364 HydrophobicContact CB-CG1 4.47Å; N346-I364 PolarHBondContact O-N 3.27Å; N346-Y365 HydrophobicContact CB-CE2 3.73Å; N346-Y365 WeakPolarHBondContact CB-OH 3.18Å; N346-K375 PolarHBondContact N-O 3.07Å
347	K	98.7	Very high	96.9	Very high	98 Å²	98	42.8 Å²	42.8	43%	0.426	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	154.1	-176.6	-69.1	177.7	-176.7	-179.9	0	111.3	K344 G345 W349 P361 K362	K344-K347 PolarHBondContact N-O 2.57Å; K344-K347 PolarHBondContact O-N 3.48Å; K344-K347 VanDerWaalsContact O-N 3.09Å; K344-K347 VanDerWaalsContact O-O 3.12Å; G345-K347 VanDerWaalsContact C-N 3.29Å; G345-K347 PolarHBondContact O-N 2.71Å; K347-W349 HydrophobicContact CB-CH2 3.93Å; K347-W349 HydrophobicContact CB-CZ3 3.9Å; K347-W349 HydrophobicContact CD-CH2 4.4Å; K347-P361 HydrophobicContact CB-CB 4.08Å; K347-P361 HydrophobicContact CD-CB 4.1Å; K347-P361 HydrophobicContact CD-CG 4.09Å; K347-P361 HydrophobicContact CG-CB 4.35Å; K347-K362 CarbonylContact C-O 3.54Å; K347-K362 VanDerWaalsContact CA-O 3.28Å; K347-K362 WeakPolarHBondContact CA-O 3.31Å
348	Y	98.8	Very high	97	Very high	11 Å²	11	44.1 Å²	44.1	4%	0.043	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157.3	168.1	81.3	-70.8	0	0	0	111.5	R341 F342 F343 Y360 P361 K362 I364 S367 F368	R341-Y348 HydrophobicContact CB-CD2 4.31Å; R341-Y348 HydrophobicContact CG-CD2 4.25Å; R341-Y348 HydrophobicContact CG-CE2 4.34Å; F342-Y348 CarbonylContact O-C 3.56Å; F342-Y348 WeakPolarHBondContact O-CA 3.43Å; F342-Y348 VanDerWaalsContact O-CB 3.26Å; F342-Y348 WeakPolarHBondContact O-CB 3.2Å; F343-Y348 VanDerWaalsContact CD1-CB 3.47Å; F343-Y348 HydrophobicContact CD1-CG 4.38Å; F343-Y348 VanDerWaalsContact CE1-CB 3.47Å; F343-Y348 HydrophobicContact CE1-CD2 4.34Å; F343-Y348 AromaticContact CE1-CG 3.9Å; F343-Y348 HydrophobicContact CE1-CG 3.9Å; F343-Y348 HydrophobicContact CZ-CD2 4.17Å; F343-Y348 HydrophobicContact CZ-CG 4.19Å; Y348-Y360 HydrophobicContact CD2-CE1 4.02Å; Y348-Y360 HydrophobicContact CE1-CE1 4.23Å; Y348-Y360 HydrophobicContact CE2-CD1 4.35Å; Y348-Y360 AromaticContact CE2-CE1 3.42Å; Y348-Y360 HydrophobicContact CE2-CE1 3.42Å; Y348-Y360 VanDerWaalsContact CE2-CE1 3.42Å; Y348-Y360 AromaticContact CZ-CE1 3.52Å; Y348-Y360 WeakPolarHBondContact O-CD1 3.49Å; Y348-P361 VanDerWaalsContact O-CA 3.28Å; Y348-P361 WeakPolarHBondContact O-CA 3.46Å; Y348-K362 HydrophobicContact CD1-CB 4.13Å; Y348-K362 VanDerWaalsContact CD1-O 3.32Å; Y348-K362 WeakPolarHBondContact CD1-O 3.37Å; Y348-K362 HydrophobicContact CE1-CB 3.48Å; Y348-K362 VanDerWaalsContact CE1-CB 3.48Å; Y348-K362 PolarHBondContact N-O 2.93Å; Y348-K362 PolarHBondContact O-N 2.79Å; Y348-I364 HydrophobicContact CD1-CG2 4.39Å; Y348-S367 VanDerWaalsContact CE1-OG 3.31Å; Y348-S367 WeakPolarHBondContact CE1-OG 3.23Å; Y348-S367 WeakPolarHBondContact OH-CB 3.22Å; Y348-S367 PolarHBondContact OH-OG 2.82Å; Y348-F368 AromaticContact CD1-CE2 3.78Å; Y348-F368 HydrophobicContact CD1-CE2 3.78Å; Y348-F368 AromaticContact CD2-CE2 3.98Å; Y348-F368 HydrophobicContact CD2-CE2 3.98Å; Y348-F368 HydrophobicContact CD2-CZ 4.16Å; Y348-F368 HydrophobicContact CE1-CD2 4.36Å; Y348-F368 AromaticContact CE1-CE2 3.64Å; Y348-F368 HydrophobicContact CE1-CE2 3.64Å; Y348-F368 HydrophobicContact CE1-CZ 4.38Å; Y348-F368 AromaticContact CE2-CE2 3.82Å; Y348-F368 HydrophobicContact CE2-CE2 3.82Å; Y348-F368 AromaticContact CE2-CZ 3.8Å; Y348-F368 HydrophobicContact CE2-CZ 3.8Å; Y348-F368 AromaticContact CG-CE2 3.95Å; Y348-F368 HydrophobicContact CG-CE2 3.95Å; Y348-F368 AromaticContact CZ-CE2 3.67Å; Y348-F368 AromaticContact CZ-CZ 3.94Å
349	W	98.6	Very high	97	Very high	25 Å²	25	44.6 Å²	44.6	10%	0.095	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	142.1	175.1	-67.8	-106.6	0	0	0	108.1	L324 P325 R341 F342 K344 K347 P361	L324-W349 HydrophobicContact CD2-CB 3.51Å; L324-W349 HydrophobicContact CD2-CD2 3.95Å; L324-W349 HydrophobicContact CD2-CE3 4.5Å; L324-W349 HydrophobicContact CD2-CG 3.51Å; P325-W349 HydrophobicContact CG-CE3 4.43Å; P325-W349 HydrophobicContact CG-CH2 3.59Å; P325-W349 HydrophobicContact CG-CZ2 4.06Å; P325-W349 HydrophobicContact CG-CZ3 3.78Å; R341-W349 CarbonylContact C-O 3.58Å; R341-W349 VanDerWaalsContact CA-O 3.22Å; R341-W349 WeakPolarHBondContact CA-O 3.23Å; F342-W349 PolarHBondContact N-O 2.83Å; F342-W349 PolarHBondContact O-N 3.06Å; K344-W349 HydrophobicContact CB-CZ3 4.08Å; K347-W349 HydrophobicContact CB-CH2 3.93Å; K347-W349 HydrophobicContact CB-CZ3 3.9Å; K347-W349 HydrophobicContact CD-CH2 4.4Å; W349-P361 HydrophobicContact CD2-CB 3.94Å; W349-P361 HydrophobicContact CE3-CB 4.44Å; W349-P361 HydrophobicContact CG-CB 4.41Å; W349-P361 HydrophobicContact CH2-CB 4.12Å; W349-P361 HydrophobicContact CZ2-CB 3.63Å; W349-P361 HydrophobicContact CZ2-CG 3.76Å
350	A	98.3	Very high	97	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.5	166.7	0	0	0	0	0	109.5	V340 R341 L357 Y360	V340-A350 CarbonylContact O-C 3.34Å; V340-A350 WeakPolarHBondContact O-CA 3.22Å; R341-A350 HydrophobicContact CG-CB 3.97Å; A350-L357 HydrophobicContact CB-CD1 3.95Å; A350-L357 PolarHBondContact O-N 3.47Å; A350-Y360 HydrophobicContact CB-CD1 4.42Å; A350-Y360 HydrophobicContact CB-CD2 4.1Å; A350-Y360 HydrophobicContact CB-CE1 3.87Å; A350-Y360 HydrophobicContact CB-CE2 3.5Å; A350-Y360 VanDerWaalsContact CB-CE2 3.5Å; A350-Y360 WeakPolarHBondContact CB-OH 3.5Å
351	V	97.7	Very high	97	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.7	179.4	-48.7	0	0	0	0	110.1	W321 E339 V340 F342 N355 V356	W321-V351 HydrophobicContact CG-CG1 4.22Å; W321-V351 HydrophobicContact CZ2-CG2 3.95Å; E339-V351 CarbonylContact C-O 3.57Å; E339-V351 WeakPolarHBondContact CA-O 3.11Å; V340-V351 HydrophobicContact CB-CG2 3.7Å; V340-V351 HydrophobicContact CG1-CG2 4.46Å; V340-V351 PolarHBondContact N-O 3.31Å; V340-V351 WeakPolarHBondContact O-CG2 3.24Å; V340-V351 PolarHBondContact O-N 2.85Å; F342-V351 HydrophobicContact CD2-CG1 3.93Å; F342-V351 HydrophobicContact CD2-CG2 4.26Å; F342-V351 HydrophobicContact CE2-CB 4.43Å; F342-V351 HydrophobicContact CE2-CG1 3.88Å; F342-V351 HydrophobicContact CE2-CG2 3.59Å; V351-N355 CarbonylContact C-O 3.53Å; V351-N355 WeakPolarHBondContact CA-O 3.43Å; V351-N355 WeakPolarHBondContact CB-O 3.39Å; V351-V356 HydrophobicContact CG1-CB 4.44Å; V351-V356 HydrophobicContact CG1-CG2 3.91Å
352	Q	96	Very high	97	Very high	84 Å²	84	51.8 Å²	51.8	39%	0.393	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	115.8	171.3	179.4	168.9	65.5	0	0	108.3	R337 D338 Q354 N355 L357	R337-Q352 PolarHBondContact O-NE2 3.42Å; D338-Q352 WeakPolarHBondContact O-CG 3.44Å; Q352-Q354 PolarHBondContact O-N 2.88Å; Q352-N355 PolarHBondContact N-O 2.71Å; Q352-N355 PolarHBondContact O-N 2.81Å; Q352-L357 HydrophobicContact CB-CD2 4.06Å
353	G	91.3	Very high	96.9	Very high	16 Å²	16	54.5 Å²	54.5	17%	0.165	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	-124.9	-165.5	0	0	0	0	0	111.2	W321	W321-G353 WeakPolarHBondContact CZ2-O 3.45Å; W321-G353 PolarHBondContact NE1-O 2.81Å
354	Q	92	Very high	96.9	Very high	123 Å²	123	54.5 Å²	54.5	58%	0.575	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	0.9	179.2	-64	178.3	-21.3	0	0	113.6	F320 Q352	F320-Q354 HydrophobicContact CD1-CG 3.87Å; Q352-Q354 PolarHBondContact O-N 2.88Å
355	N	93.2	Very high	96.9	Very high	118 Å²	118	52.3 Å²	52.3	63%	0.631	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	124.7	-173.6	-64.2	-50.6	0	0	0	111.4	V351 Q352	V351-N355 CarbonylContact C-O 3.53Å; V351-N355 WeakPolarHBondContact CA-O 3.43Å; V351-N355 WeakPolarHBondContact CB-O 3.39Å; Q352-N355 PolarHBondContact N-O 2.71Å; Q352-N355 PolarHBondContact O-N 2.81Å
356	V	95.6	Very high	96.9	Very high	33 Å²	33	55.5 Å²	55.5	20%	0.2	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.5	163.8	-179.2	0	0	0	0	108.6	W321 Q323 V351	W321-V356 HydrophobicContact CB-CG2 4.17Å; W321-V356 HydrophobicContact CG-CG2 4.47Å; Q323-V356 HydrophobicContact CB-CG2 4.38Å; V351-V356 HydrophobicContact CG1-CB 4.44Å; V351-V356 HydrophobicContact CG1-CG2 3.91Å
357	L	96.9	Very high	96.9	Very high	38 Å²	38	53.9 Å²	53.9	20%	0.199	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-69.1	148.6	-175.5	-66	-179.5	0	0	0	111.8	E339 A350 Q352 Y360	E339-L357 HydrophobicContact CG-CD1 4.1Å; A350-L357 HydrophobicContact CB-CD1 3.95Å; A350-L357 PolarHBondContact O-N 3.47Å; Q352-L357 HydrophobicContact CB-CD2 4.06Å; L357-Y360 HydrophobicContact CB-CD2 3.76Å; L357-Y360 HydrophobicContact CB-CE2 3.83Å; L357-Y360 HydrophobicContact CD1-CE2 4.44Å; L357-Y360 WeakPolarHBondContact O-CD2 3.44Å
358	P	96.6	Very high	96.8	Very high	123 Å²	123	49.5 Å²	49.5	80%	0.799	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	146	175.5	-24.2	34.1	0	0	0	113.2
359	G	96.1	Very high	96.8	Very high	60 Å²	60	51.6 Å²	51.6	62%	0.619	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	11.4	178.2	0	0	0	0	0	114.8	K362	G359-K362 VanDerWaalsContact O-CE 3.27Å; G359-K362 WeakPolarHBondContact O-CE 3.43Å; G359-K362 VanDerWaalsContact O-CG 3.3Å; G359-K362 WeakPolarHBondContact O-CG 3.29Å
360	Y	97.4	Very high	96.8	Very high	46 Å²	46	50.8 Å²	50.8	18%	0.18	31%	0.306	C	S	.	.			trans	-103.6	150.9	170.2	-72.6	-80.7	0	0	0	111.4	Y348 A350 L357 K362	Y348-Y360 HydrophobicContact CD2-CE1 4.02Å; Y348-Y360 HydrophobicContact CE1-CE1 4.23Å; Y348-Y360 HydrophobicContact CE2-CD1 4.35Å; Y348-Y360 AromaticContact CE2-CE1 3.42Å; Y348-Y360 HydrophobicContact CE2-CE1 3.42Å; Y348-Y360 VanDerWaalsContact CE2-CE1 3.42Å; Y348-Y360 AromaticContact CZ-CE1 3.52Å; Y348-Y360 WeakPolarHBondContact O-CD1 3.49Å; A350-Y360 HydrophobicContact CB-CD1 4.42Å; A350-Y360 HydrophobicContact CB-CD2 4.1Å; A350-Y360 HydrophobicContact CB-CE1 3.87Å; A350-Y360 HydrophobicContact CB-CE2 3.5Å; A350-Y360 VanDerWaalsContact CB-CE2 3.5Å; A350-Y360 WeakPolarHBondContact CB-OH 3.5Å; L357-Y360 HydrophobicContact CB-CD2 3.76Å; L357-Y360 HydrophobicContact CB-CE2 3.83Å; L357-Y360 HydrophobicContact CD1-CE2 4.44Å; L357-Y360 WeakPolarHBondContact O-CD2 3.44Å; Y360-K362 HydrophobicContact CD1-CB 4.17Å; Y360-K362 HydrophobicContact CD1-CD 4.29Å; Y360-K362 HydrophobicContact CD1-CG 3.95Å; Y360-K362 HydrophobicContact CE1-CB 4.18Å; Y360-K362 HydrophobicContact CE1-CD 3.86Å; Y360-K362 HydrophobicContact CE1-CG 3.99Å
361	P	98	Very high	96.8	Very high	57 Å²	57	53.4 Å²	53.4	37%	0.37	32%	0.323	S	S	.	.	S	Bend	cis	-73.6	150.3	4	26.2	-31.6	0	0	0	114.7	K347 Y348 W349	K347-P361 HydrophobicContact CB-CB 4.08Å; K347-P361 HydrophobicContact CD-CB 4.1Å; K347-P361 HydrophobicContact CD-CG 4.09Å; K347-P361 HydrophobicContact CG-CB 4.35Å; Y348-P361 VanDerWaalsContact O-CA 3.28Å; Y348-P361 WeakPolarHBondContact O-CA 3.46Å; W349-P361 HydrophobicContact CD2-CB 3.94Å; W349-P361 HydrophobicContact CE3-CB 4.44Å; W349-P361 HydrophobicContact CG-CB 4.41Å; W349-P361 HydrophobicContact CH2-CB 4.12Å; W349-P361 HydrophobicContact CZ2-CB 3.63Å; W349-P361 HydrophobicContact CZ2-CG 3.76Å
362	K	98.4	Very high	96.8	Very high	87 Å²	87	62.4 Å²	62.4	38%	0.378	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	160.9	169.3	-68.9	-177.7	-177	174.1	0	110.4	K347 Y348 G359 Y360	K347-K362 CarbonylContact C-O 3.54Å; K347-K362 VanDerWaalsContact CA-O 3.28Å; K347-K362 WeakPolarHBondContact CA-O 3.31Å; Y348-K362 HydrophobicContact CD1-CB 4.13Å; Y348-K362 VanDerWaalsContact CD1-O 3.32Å; Y348-K362 WeakPolarHBondContact CD1-O 3.37Å; Y348-K362 HydrophobicContact CE1-CB 3.48Å; Y348-K362 VanDerWaalsContact CE1-CB 3.48Å; Y348-K362 PolarHBondContact N-O 2.93Å; Y348-K362 PolarHBondContact O-N 2.79Å; G359-K362 VanDerWaalsContact O-CE 3.27Å; G359-K362 WeakPolarHBondContact O-CE 3.43Å; G359-K362 VanDerWaalsContact O-CG 3.3Å; G359-K362 WeakPolarHBondContact O-CG 3.29Å; Y360-K362 HydrophobicContact CD1-CB 4.17Å; Y360-K362 HydrophobicContact CD1-CD 4.29Å; Y360-K362 HydrophobicContact CD1-CG 3.95Å; Y360-K362 HydrophobicContact CE1-CB 4.18Å; Y360-K362 HydrophobicContact CE1-CD 3.86Å; Y360-K362 HydrophobicContact CE1-CG 3.99Å
363	D	98.3	Very high	96.8	Very high	57 Å²	57	64.1 Å²	64.1	31%	0.305	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	148.3	177.8	79.2	96.1	0	0	0	112.4	N346 Y365 S366 S367	N346-D363 VanDerWaalsContact O-CA 3.29Å; N346-D363 WeakPolarHBondContact O-CA 3.25Å; D363-Y365 VanDerWaalsContact C-N 3.26Å; D363-Y365 HydrophobicContact CB-CD2 4.25Å; D363-Y365 PolarHBondContact O-N 3.39Å; D363-Y365 WeakPolarHBondContact OD1-CA 3.4Å; D363-Y365 WeakPolarHBondContact OD1-CB 3.26Å; D363-Y365 VanDerWaalsContact OD1-CD2 3.3Å; D363-Y365 WeakPolarHBondContact OD1-CD2 3.49Å; D363-Y365 PolarHBondContact OD1-N 3.02Å; D363-S366 VanDerWaalsContact CG-OG 3.27Å; D363-S366 PolarHBondContact OD1-N 3.04Å; D363-S366 PolarHBondContact OD1-OG 3.31Å; D363-S366 WeakPolarHBondContact OD2-CB 3.38Å; D363-S366 PolarHBondContact OD2-OG 2.85Å; D363-S367 WeakPolarHBondContact O-CB 3.21Å; D363-S367 PolarHBondContact O-N 2.86Å; D363-S367 PolarHBondContact O-OG 3.14Å
364	I	98.6	Very high	97.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-72.3	-18.5	-178.3	64.3	175.5	0	0	0	113.3	F343 N346 Y348 F368 F370 V374 I377	F343-I364 HydrophobicContact CD1-CG2 3.92Å; F343-I364 HydrophobicContact CE1-CG2 4.01Å; N346-I364 HydrophobicContact CB-CG1 4.47Å; N346-I364 PolarHBondContact O-N 3.27Å; Y348-I364 HydrophobicContact CD1-CG2 4.39Å; I364-F368 HydrophobicContact CB-CD2 4.36Å; I364-F368 HydrophobicContact CG2-CD2 4.5Å; I364-F368 WeakPolarHBondContact O-CB 3.34Å; I364-F368 PolarHBondContact O-N 3.04Å; I364-F370 HydrophobicContact CB-CD2 4.01Å; I364-F370 HydrophobicContact CD1-CB 4.49Å; I364-F370 HydrophobicContact CD1-CD2 4.42Å; I364-F370 HydrophobicContact CD1-CG 4.45Å; I364-F370 HydrophobicContact CG1-CB 4.45Å; I364-F370 HydrophobicContact CG1-CD2 4.38Å; I364-F370 WeakPolarHBondContact O-CD2 3.39Å; I364-V374 HydrophobicContact CD1-CG1 4.12Å; I364-I377 HydrophobicContact CD1-CG1 4.42Å; I364-I377 HydrophobicContact CG2-CD1 4.36Å
365	Y	98.4	Very high	97.5	Very high	33 Å²	33	64.1 Å²	64.1	13%	0.129	37%	0.367	C	S	.	.	H	α-helix	trans	-77.6	-49.8	-174.7	-43.2	-64	0	0	0	110.8	N346 D363 G369 F370 R372 V374	N346-Y365 HydrophobicContact CB-CE2 3.73Å; N346-Y365 WeakPolarHBondContact CB-OH 3.18Å; D363-Y365 VanDerWaalsContact C-N 3.26Å; D363-Y365 HydrophobicContact CB-CD2 4.25Å; D363-Y365 PolarHBondContact O-N 3.39Å; D363-Y365 WeakPolarHBondContact OD1-CA 3.4Å; D363-Y365 WeakPolarHBondContact OD1-CB 3.26Å; D363-Y365 VanDerWaalsContact OD1-CD2 3.3Å; D363-Y365 WeakPolarHBondContact OD1-CD2 3.49Å; D363-Y365 PolarHBondContact OD1-N 3.02Å; Y365-G369 WeakPolarHBondContact O-CA 3.47Å; Y365-G369 PolarHBondContact O-N 2.88Å; Y365-F370 HydrophobicContact CD1-CB 4.25Å; Y365-R372 HydrophobicContact CD1-CG 4.49Å; Y365-V374 VanDerWaalsContact CE1-O 3.3Å; Y365-V374 WeakPolarHBondContact CE1-O 3.46Å; Y365-V374 PolarHBondContact OH-O 2.67Å; Y365-V374 VanDerWaalsContact OH-O 3.13Å
366	S	97.6	Very high	97.7	Very high	90 Å²	90	62.1 Å²	62.1	63%	0.629	35%	0.354	S	S	*	.	H	α-helix	trans	-74.4	-35.8	179.3	69	0	0	0	0	112.2	D363	D363-S366 VanDerWaalsContact CG-OG 3.27Å; D363-S366 PolarHBondContact OD1-N 3.04Å; D363-S366 PolarHBondContact OD1-OG 3.31Å; D363-S366 WeakPolarHBondContact OD2-CB 3.38Å; D363-S366 PolarHBondContact OD2-OG 2.85Å
367	S	97.6	Very high	97.9	Very high	32 Å²	32	60.5 Å²	60.5	22%	0.224	34%	0.344	C	S	.	.	H	α-helix	trans	-77.5	-39.1	-177.6	-75.7	0	0	0	0	114.2	Y348 D363 Y400	Y348-S367 VanDerWaalsContact CE1-OG 3.31Å; Y348-S367 WeakPolarHBondContact CE1-OG 3.23Å; Y348-S367 WeakPolarHBondContact OH-CB 3.22Å; Y348-S367 PolarHBondContact OH-OG 2.82Å; D363-S367 WeakPolarHBondContact O-CB 3.21Å; D363-S367 PolarHBondContact O-N 2.86Å; D363-S367 PolarHBondContact O-OG 3.14Å; S367-Y400 PolarHBondContact O-OH 3.05Å
368	F	98.1	Very high	98	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-120.6	-7.1	-172.8	-59.8	-76.6	0	0	0	113.7	F343 Y348 I364 F370 F391 Y400 M407	F343-F368 HydrophobicContact CE1-CD2 4.33Å; F343-F368 AromaticContact CE1-CE2 3.67Å; F343-F368 HydrophobicContact CE1-CE2 3.67Å; F343-F368 HydrophobicContact CE1-CZ 4.24Å; F343-F368 AromaticContact CZ-CE2 3.84Å; F343-F368 HydrophobicContact CZ-CE2 3.84Å; F343-F368 AromaticContact CZ-CZ 3.92Å; F343-F368 HydrophobicContact CZ-CZ 3.92Å; Y348-F368 AromaticContact CD1-CE2 3.78Å; Y348-F368 HydrophobicContact CD1-CE2 3.78Å; Y348-F368 AromaticContact CD2-CE2 3.98Å; Y348-F368 HydrophobicContact CD2-CE2 3.98Å; Y348-F368 HydrophobicContact CD2-CZ 4.16Å; Y348-F368 HydrophobicContact CE1-CD2 4.36Å; Y348-F368 AromaticContact CE1-CE2 3.64Å; Y348-F368 HydrophobicContact CE1-CE2 3.64Å; Y348-F368 HydrophobicContact CE1-CZ 4.38Å; Y348-F368 AromaticContact CE2-CE2 3.82Å; Y348-F368 HydrophobicContact CE2-CE2 3.82Å; Y348-F368 AromaticContact CE2-CZ 3.8Å; Y348-F368 HydrophobicContact CE2-CZ 3.8Å; Y348-F368 AromaticContact CG-CE2 3.95Å; Y348-F368 HydrophobicContact CG-CE2 3.95Å; Y348-F368 AromaticContact CZ-CE2 3.67Å; Y348-F368 AromaticContact CZ-CZ 3.94Å; I364-F368 HydrophobicContact CB-CD2 4.36Å; I364-F368 HydrophobicContact CG2-CD2 4.5Å; I364-F368 WeakPolarHBondContact O-CB 3.34Å; I364-F368 PolarHBondContact O-N 3.04Å; F368-F370 HydrophobicContact CB-CD2 3.61Å; F368-F370 HydrophobicContact CB-CE2 3.59Å; F368-F370 HydrophobicContact CD2-CE2 4.37Å; F368-F370 HydrophobicContact CG-CE2 4.17Å; F368-F391 HydrophobicContact CD1-CE2 4.02Å; F368-F391 AromaticContact CD1-CZ 3.89Å; F368-F391 HydrophobicContact CD1-CZ 3.89Å; F368-F391 HydrophobicContact CE1-CE2 4.35Å; F368-F391 AromaticContact CE1-CZ 3.82Å; F368-F391 HydrophobicContact CE1-CZ 3.82Å; F368-F391 HydrophobicContact CG-CE2 4.45Å; F368-F391 HydrophobicContact CG-CZ 4.33Å; F368-F391 HydrophobicContact CZ-CZ 4.2Å; F368-Y400 HydrophobicContact CB-CD2 4.4Å; F368-Y400 HydrophobicContact CB-CE2 4.31Å; F368-Y400 AromaticContact CD1-CD1 3.98Å; F368-Y400 HydrophobicContact CD1-CD1 3.98Å; F368-Y400 HydrophobicContact CD1-CD2 4.09Å; F368-Y400 AromaticContact CD1-CE1 3.78Å; F368-Y400 HydrophobicContact CD1-CE1 3.78Å; F368-Y400 AromaticContact CD1-CE2 3.91Å; F368-Y400 HydrophobicContact CD1-CE2 3.91Å; F368-Y400 HydrophobicContact CD1-CG 4.12Å; F368-Y400 AromaticContact CD1-CZ 3.74Å; F368-Y400 HydrophobicContact CE1-CD1 4.31Å; F368-Y400 HydrophobicContact CE1-CE1 4.03Å; F368-M407 HydrophobicContact CB-CE 4.2Å; F368-M407 WeakPolarHBondContact O-CE 3.32Å; F368-M407 VanDerWaalsContact O-CG 3.32Å; F368-M407 WeakPolarHBondContact O-CG 3.46Å
369	G	97.7	Very high	98.1	Very high	54 Å²	54	53.8 Å²	53.8	56%	0.557	30%	0.302	S	S	*	.			trans	78.3	21.2	178.4	0	0	0	0	0	114.7	Y365	Y365-G369 WeakPolarHBondContact O-CA 3.47Å; Y365-G369 PolarHBondContact O-N 2.88Å
370	F	98.5	Very high	98.2	Very high	8 Å²	8	51 Å²	51	4%	0.035	27%	0.273	C	S	.	.			trans	-63.2	143.6	175.8	-78	-89.2	0	0	0	112	I364 Y365 F368 V374 I377 F391 V393 W398 M407	I364-F370 HydrophobicContact CB-CD2 4.01Å; I364-F370 HydrophobicContact CD1-CB 4.49Å; I364-F370 HydrophobicContact CD1-CD2 4.42Å; I364-F370 HydrophobicContact CD1-CG 4.45Å; I364-F370 HydrophobicContact CG1-CB 4.45Å; I364-F370 HydrophobicContact CG1-CD2 4.38Å; I364-F370 WeakPolarHBondContact O-CD2 3.39Å; Y365-F370 HydrophobicContact CD1-CB 4.25Å; F368-F370 HydrophobicContact CB-CD2 3.61Å; F368-F370 HydrophobicContact CB-CE2 3.59Å; F368-F370 HydrophobicContact CD2-CE2 4.37Å; F368-F370 HydrophobicContact CG-CE2 4.17Å; F370-V374 HydrophobicContact CB-CB 4.45Å; F370-V374 HydrophobicContact CD1-CB 4.2Å; F370-V374 HydrophobicContact CD1-CG1 3.94Å; F370-V374 HydrophobicContact CD1-CG2 4.13Å; F370-V374 HydrophobicContact CE1-CG1 4.38Å; F370-I377 HydrophobicContact CE1-CD1 4.32Å; F370-I377 HydrophobicContact CE1-CG1 4.5Å; F370-I377 HydrophobicContact CE2-CD1 3.75Å; F370-I377 HydrophobicContact CZ-CD1 3.56Å; F370-I377 HydrophobicContact CZ-CG1 4.2Å; F370-F391 HydrophobicContact CE1-CB 4.22Å; F370-F391 HydrophobicContact CE2-CD2 4.12Å; F370-F391 HydrophobicContact CE2-CE2 4.3Å; F370-F391 HydrophobicContact CE2-CG 4.31Å; F370-F391 HydrophobicContact CZ-CB 3.65Å; F370-F391 HydrophobicContact CZ-CD1 4.2Å; F370-F391 AromaticContact CZ-CD2 3.67Å; F370-F391 HydrophobicContact CZ-CD2 3.67Å; F370-F391 HydrophobicContact CZ-CE2 4.3Å; F370-F391 AromaticContact CZ-CG 3.6Å; F370-F391 HydrophobicContact CZ-CG 3.6Å; F370-V393 HydrophobicContact CE1-CG2 4.27Å; F370-W398 AromaticContact CD1-CD1 3.91Å; F370-W398 AromaticContact CD1-NE1 3.94Å; F370-W398 AromaticContact CE1-CD1 3.22Å; F370-W398 AromaticContact CE1-CG 3.94Å; F370-W398 HydrophobicContact CE1-CG 3.94Å; F370-W398 AromaticContact CE1-NE1 3.65Å; F370-M407 HydrophobicContact CD1-CE 4.31Å; F370-M407 HydrophobicContact CD2-CE 3.95Å; F370-M407 HydrophobicContact CE1-CE 4.02Å; F370-M407 HydrophobicContact CE2-CE 3.55Å; F370-M407 HydrophobicContact CG-CE 4.3Å; F370-M407 HydrophobicContact CZ-CE 3.6Å
371	P	97.9	Very high	98.2	Very high	55 Å²	55	49 Å²	49	36%	0.357	27%	0.265	S	S	.	.			trans	-66.7	146.8	169.9	28.4	-32.6	0	0	0	110.3	T373 V374	P371-T373 PolarHBondContact O-N 2.86Å; P371-V374 HydrophobicContact CG-CG2 4.04Å; P371-V374 WeakPolarHBondContact O-CB 3.16Å; P371-V374 PolarHBondContact O-N 3.22Å
372	R	97.8	Very high	98.2	Very high	191 Å²	191	46.9 Å²	46.9	72%	0.721	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-11.9	-178.6	-68.9	-170.7	-179.4	-92.7	2.1	114.6	Y365 V374 K375	Y365-R372 HydrophobicContact CD1-CG 4.49Å; R372-V374 VanDerWaalsContact C-N 3.27Å; R372-K375 WeakPolarHBondContact O-CE 3.35Å; R372-K375 PolarHBondContact O-NZ 3.36Å
373	T	97.9	Very high	98.1	Very high	119 Å²	119	44.5 Å²	44.5	73%	0.73	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-26.8	171.9	50.6	0	0	0	0	112.1	P371 K375	P371-T373 PolarHBondContact O-N 2.86Å; T373-K375 PolarHBondContact O-N 3.34Å
374	V	98.4	Very high	97.6	Very high	10 Å²	10	46.5 Å²	46.5	6%	0.061	25%	0.25	C	C	.	.			trans	-76.9	119.9	174.3	176.6	0	0	0	0	109.1	I364 Y365 F370 P371 R372 H376 V393	I364-V374 HydrophobicContact CD1-CG1 4.12Å; Y365-V374 VanDerWaalsContact CE1-O 3.3Å; Y365-V374 WeakPolarHBondContact CE1-O 3.46Å; Y365-V374 PolarHBondContact OH-O 2.67Å; Y365-V374 VanDerWaalsContact OH-O 3.13Å; F370-V374 HydrophobicContact CB-CB 4.45Å; F370-V374 HydrophobicContact CD1-CB 4.2Å; F370-V374 HydrophobicContact CD1-CG1 3.94Å; F370-V374 HydrophobicContact CD1-CG2 4.13Å; F370-V374 HydrophobicContact CE1-CG1 4.38Å; P371-V374 HydrophobicContact CG-CG2 4.04Å; P371-V374 WeakPolarHBondContact O-CB 3.16Å; P371-V374 PolarHBondContact O-N 3.22Å; R372-V374 VanDerWaalsContact C-N 3.27Å; V374-H376 VanDerWaalsContact CG1-O 3.3Å; V374-H376 WeakPolarHBondContact CG1-O 3.46Å; V374-V393 HydrophobicContact CG1-CG1 4.04Å; V374-V393 HydrophobicContact CG1-CG2 4.09Å; V374-V393 HydrophobicContact CG2-CG1 4.27Å
375	K	98.2	Very high	97.1	Very high	130 Å²	130	53.8 Å²	53.8	57%	0.565	29%	0.288	S	S	*	.			trans	-104.6	-20.9	-177.1	-58.1	-52.5	-173.5	-172.5	0	113.6	G345 N346 R372 T373	G345-K375 CarbonylContact C-O 3.55Å; G345-K375 WeakPolarHBondContact CA-O 3.32Å; N346-K375 PolarHBondContact N-O 3.07Å; R372-K375 WeakPolarHBondContact O-CE 3.35Å; R372-K375 PolarHBondContact O-NZ 3.36Å; T373-K375 PolarHBondContact O-N 3.34Å
376	H	98.4	Very high	96.9	Very high	75 Å²	75	54.9 Å²	54.9	35%	0.347	30%	0.299	S	S	.	.			trans	-157.8	168.3	175.9	56.5	-81.3	0	0	0	109.6	Q329 G345 V374 D378	Q329-H376 VanDerWaalsContact OE1-CB 3.23Å; G345-H376 WeakPolarHBondContact O-CA 3.23Å; V374-H376 VanDerWaalsContact CG1-O 3.3Å; V374-H376 WeakPolarHBondContact CG1-O 3.46Å; H376-D378 IonicContact CD2-OD1 3.02Å; H376-D378 PolarHBondContact CD2-OD1 3.39Å; H376-D378 IonicContact NE2-OD1 3.3Å; H376-D378 PolarHBondContact NE2-OD1 2.87Å; H376-D378 VanDerWaalsContact NE2-OD1 3.16Å
377	I	98.8	Very high	96.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.269	C	S	.	.			trans	-115.5	130.1	174.2	-59.6	-178.9	0	0	0	106.5	Q329 A330 F343 I364 F370 A379 F391	Q329-I377 CarbonylContact C-O 3.51Å; Q329-I377 WeakPolarHBondContact CB-O 3.36Å; A330-I377 HydrophobicContact CB-CB 4.38Å; A330-I377 HydrophobicContact CB-CG2 3.92Å; F343-I377 HydrophobicContact CD1-CD1 3.55Å; F343-I377 HydrophobicContact CD1-CG1 4.42Å; F343-I377 HydrophobicContact CE1-CD1 3.72Å; F343-I377 HydrophobicContact CG-CD1 4.3Å; I364-I377 HydrophobicContact CD1-CG1 4.42Å; I364-I377 HydrophobicContact CG2-CD1 4.36Å; F370-I377 HydrophobicContact CE1-CD1 4.32Å; F370-I377 HydrophobicContact CE1-CG1 4.5Å; F370-I377 HydrophobicContact CE2-CD1 3.75Å; F370-I377 HydrophobicContact CZ-CD1 3.56Å; F370-I377 HydrophobicContact CZ-CG1 4.2Å; I377-A379 WeakPolarHBondContact CG2-O 3.31Å; I377-F391 HydrophobicContact CD1-CD1 3.71Å; I377-F391 HydrophobicContact CD1-CE1 4.06Å; I377-F391 HydrophobicContact CD1-CG 4.31Å; I377-F391 HydrophobicContact CG2-CB 4.25Å; I377-F391 HydrophobicContact CG2-CD1 3.97Å
378	D	98.8	Very high	96.8	Very high	18 Å²	18	50.7 Å²	50.7	10%	0.096	27%	0.265	C	S	.	.	S	Bend	trans	-85.6	-30.2	-174.5	-61	-21.4	0	0	0	112.5	Q329 H376 F392 A394 V426 D427	Q329-D378 CarbonylContact O-C 3.44Å; Q329-D378 VanDerWaalsContact O-C 3.25Å; H376-D378 IonicContact CD2-OD1 3.02Å; H376-D378 PolarHBondContact CD2-OD1 3.39Å; H376-D378 IonicContact NE2-OD1 3.3Å; H376-D378 PolarHBondContact NE2-OD1 2.87Å; H376-D378 VanDerWaalsContact NE2-OD1 3.16Å; D378-F392 PolarHBondContact N-O 2.97Å; D378-A394 WeakPolarHBondContact OD2-CA 3.47Å; D378-A394 PolarHBondContact OD2-N 3.45Å; D378-V426 VanDerWaalsContact CB-O 3.24Å; D378-V426 WeakPolarHBondContact CB-O 3.5Å; D378-D427 CarbonylContact O-C 3.57Å
379	A	98.9	Very high	96.8	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	156.6	176.3	0	0	0	0	0	110.3	I377 F392 V426 V429	I377-A379 WeakPolarHBondContact CG2-O 3.31Å; A379-F392 HydrophobicContact CB-CB 4.19Å; A379-F392 HydrophobicContact CB-CD2 4.25Å; A379-F392 PolarHBondContact O-N 2.94Å; A379-V426 HydrophobicContact CB-CB 4.15Å; A379-V426 HydrophobicContact CB-CG1 3.54Å; A379-V429 HydrophobicContact CB-CB 4.47Å; A379-V429 HydrophobicContact CB-CG1 3.78Å
380	A	98.8	Very high	96.9	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	150.8	177	0	0	0	0	0	111.4	A330 Y332 Y390 F391 V429	A330-A380 HydrophobicContact CB-CB 4.05Å; Y332-A380 HydrophobicContact CD1-CB 3.67Å; Y332-A380 HydrophobicContact CE1-CB 4.5Å; Y332-A380 HydrophobicContact CG-CB 4.31Å; A380-Y390 VanDerWaalsContact CA-O 3.23Å; A380-Y390 WeakPolarHBondContact CA-O 3.44Å; A380-F391 HydrophobicContact CB-CD1 3.76Å; A380-F391 HydrophobicContact CB-CE1 4.05Å; A380-V429 VanDerWaalsContact O-O 3.07Å
381	L	98.3	Very high	96.9	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.8	167.4	71.8	102.3	0	0	0	109.1	E383 T389 Y390 F392 V429 M431 F436	L381-E383 HydrophobicContact CD1-CG 4.3Å; L381-T389 CarbonylContact O-C 3.51Å; L381-T389 VanDerWaalsContact O-CA 3.31Å; L381-T389 WeakPolarHBondContact O-CA 3.45Å; L381-T389 WeakPolarHBondContact O-CG2 3.31Å; L381-Y390 HydrophobicContact CD1-CD2 4.05Å; L381-Y390 HydrophobicContact CG-CD2 4.39Å; L381-Y390 PolarHBondContact N-O 3.37Å; L381-Y390 VanDerWaalsContact N-O 3.14Å; L381-Y390 PolarHBondContact O-N 2.87Å; L381-F392 HydrophobicContact CD2-CE2 4.1Å; L381-V429 HydrophobicContact CB-CG1 4.16Å; L381-V429 HydrophobicContact CD2-CB 4.12Å; L381-V429 HydrophobicContact CD2-CG1 3.62Å; L381-V429 HydrophobicContact CD2-CG2 3.37Å; L381-V429 HydrophobicContact CG-CG1 4.35Å; L381-M431 HydrophobicContact CD1-CB 4.18Å; L381-F436 HydrophobicContact CD1-CE1 4.05Å; L381-F436 HydrophobicContact CD1-CE2 4.11Å; L381-F436 HydrophobicContact CD1-CZ 3.82Å; L381-F436 HydrophobicContact CD2-CD2 3.77Å; L381-F436 HydrophobicContact CD2-CE2 3.88Å; L381-F436 HydrophobicContact CD2-CG 4.19Å; L381-F436 HydrophobicContact CD2-CZ 4.39Å
382	S	97.6	Very high	97	Very high	12 Å²	12	45.9 Å²	45.9	8%	0.084	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.5	168.1	-160.1	0	0	0	0	111	E333 T389	E333-S382 VanDerWaalsContact O-CB 3.25Å; E333-S382 WeakPolarHBondContact O-CB 3.38Å; S382-T389 PolarHBondContact OG-OG1 3.15Å
383	E	95.4	Very high	97	Very high	38 Å²	38	37.9 Å²	37.9	18%	0.178	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	116.1	170.9	-73.9	-170.6	-120.8	0	0	109.9	L381 N385 T386 G387 K388 Y390 M431 F436	L381-E383 HydrophobicContact CD1-CG 4.3Å; E383-N385 PolarHBondContact O-N 2.9Å; E383-T386 VanDerWaalsContact CB-OG1 3.27Å; E383-T386 WeakPolarHBondContact CB-OG1 3.32Å; E383-T386 PolarHBondContact O-N 3.27Å; E383-G387 PolarHBondContact O-N 2.84Å; E383-G387 VanDerWaalsContact O-N 3.07Å; E383-K388 PolarHBondContact N-O 3.14Å; E383-Y390 HydrophobicContact CG-CE2 3.85Å; E383-Y390 WeakPolarHBondContact OE1-CE2 3.34Å; E383-Y390 PolarHBondContact OE1-OH 3.16Å; E383-M431 HydrophobicContact CB-CE 4.37Å; E383-M431 HydrophobicContact CB-SD 4.37Å; E383-M431 HydrophobicContact CG-CE 4.48Å; E383-M431 HydrophobicContact CG-SD 3.85Å; E383-F436 HydrophobicContact CG-CE1 4.19Å; E383-F436 HydrophobicContact CG-CZ 4.05Å
384	E	87.4	Confident	97	Very high	98 Å²	98	34.7 Å²	34.7	46%	0.458	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-50.3	-178	-67.5	177.3	-172.2	0	0	112.6	A335 T386 M431	A335-E384 HydrophobicContact CB-CG 4.19Å; E384-T386 VanDerWaalsContact C-N 3.27Å; E384-T386 PolarHBondContact O-N 2.94Å; E384-M431 HydrophobicContact CB-CE 4.46Å; E384-M431 HydrophobicContact CG-CE 4.34Å
385	N	89.1	Confident	97	Very high	153 Å²	153	37.3 Å²	37.3	82%	0.818	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.5	-171.5	-64	-44.2	0	0	0	114.9	E383	E383-N385 PolarHBondContact O-N 2.9Å
386	T	94.3	Very high	97	Very high	57 Å²	57	35.3 Å²	35.3	35%	0.35	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-11.8	-171	66	0	0	0	0	113.6	E383 E384 K388	E383-T386 VanDerWaalsContact CB-OG1 3.27Å; E383-T386 WeakPolarHBondContact CB-OG1 3.32Å; E383-T386 PolarHBondContact O-N 3.27Å; E384-T386 VanDerWaalsContact C-N 3.27Å; E384-T386 PolarHBondContact O-N 2.94Å; T386-K388 PolarHBondContact O-N 3.34Å; T386-K388 WeakPolarHBondContact OG1-CB 3.32Å; T386-K388 WeakPolarHBondContact OG1-CG 3.34Å; T386-K388 PolarHBondContact OG1-N 3.47Å
387	G	94.9	Very high	97	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	21	-171.1	0	0	0	0	0	113.2	E383 E402 Y403	E383-G387 PolarHBondContact O-N 2.84Å; E383-G387 VanDerWaalsContact O-N 3.07Å; G387-E402 WeakPolarHBondContact O-CB 3.33Å; G387-E402 PolarHBondContact O-N 3.43Å; G387-Y403 VanDerWaalsContact CA-CE2 3.45Å
388	K	98.1	Very high	97	Very high	33 Å²	33	33.5 Å²	33.5	14%	0.143	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117	178.6	-62.8	-61.4	-179	176.9	0	109.9	E383 T386 Y390 R399 Y400 D401 D408	E383-K388 PolarHBondContact N-O 3.14Å; T386-K388 PolarHBondContact O-N 3.34Å; T386-K388 WeakPolarHBondContact OG1-CB 3.32Å; T386-K388 WeakPolarHBondContact OG1-CG 3.34Å; T386-K388 PolarHBondContact OG1-N 3.47Å; K388-Y390 HydrophobicContact CB-CE2 4Å; K388-R399 HydrophobicContact CB-CG 4.12Å; K388-R399 HydrophobicContact CD-CG 4.29Å; K388-Y400 WeakPolarHBondContact CA-O 3.44Å; K388-D401 HydrophobicContact CD-CB 4.41Å; K388-D401 IonicContact NZ-OD2 3.21Å; K388-D401 PolarHBondContact NZ-OD2 3.04Å; K388-D408 IonicContact NZ-OD1 3.93Å; K388-D408 PolarHBondContact NZ-OD1 2.76Å; K388-D408 IonicContact NZ-OD2 3.99Å; K388-D408 PolarHBondContact NZ-OD2 2.85Å
389	T	98.8	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131	175	-53	0	0	0	0	110.2	Y332 L381 S382 F391 R399 Y400 E402	Y332-T389 HydrophobicContact CD1-CG2 4.09Å; Y332-T389 HydrophobicContact CD2-CG2 4.01Å; Y332-T389 HydrophobicContact CE1-CG2 3.78Å; Y332-T389 HydrophobicContact CE2-CG2 3.67Å; Y332-T389 HydrophobicContact CG-CG2 4.18Å; L381-T389 CarbonylContact O-C 3.51Å; L381-T389 VanDerWaalsContact O-CA 3.31Å; L381-T389 WeakPolarHBondContact O-CA 3.45Å; L381-T389 WeakPolarHBondContact O-CG2 3.31Å; S382-T389 PolarHBondContact OG-OG1 3.15Å; T389-F391 HydrophobicContact CG2-CD1 4.46Å; T389-F391 HydrophobicContact CG2-CD2 4.33Å; T389-F391 HydrophobicContact CG2-CE1 3.97Å; T389-F391 HydrophobicContact CG2-CE2 3.8Å; T389-F391 HydrophobicContact CG2-CZ 3.61Å; T389-R399 CarbonylContact O-C 3.52Å; T389-R399 VanDerWaalsContact O-CA 3.32Å; T389-R399 WeakPolarHBondContact O-CA 3.24Å; T389-Y400 PolarHBondContact N-O 2.95Å; T389-Y400 PolarHBondContact O-N 2.92Å; T389-E402 VanDerWaalsContact OG1-CG 3.24Å; T389-E402 WeakPolarHBondContact OG1-CG 3.35Å; T389-E402 PolarHBondContact OG1-OE1 3.47Å; T389-E402 VanDerWaalsContact OG1-OE1 3.12Å
390	Y	98.8	Very high	97	Very high	21 Å²	21	36.3 Å²	36.3	8%	0.082	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.5	178.2	-62.9	-105.3	0	0	0	108.7	A380 L381 E383 K388 Y397 W398 R399 F419 F436	A380-Y390 VanDerWaalsContact CA-O 3.23Å; A380-Y390 WeakPolarHBondContact CA-O 3.44Å; L381-Y390 HydrophobicContact CD1-CD2 4.05Å; L381-Y390 HydrophobicContact CG-CD2 4.39Å; L381-Y390 PolarHBondContact N-O 3.37Å; L381-Y390 VanDerWaalsContact N-O 3.14Å; L381-Y390 PolarHBondContact O-N 2.87Å; E383-Y390 HydrophobicContact CG-CE2 3.85Å; E383-Y390 WeakPolarHBondContact OE1-CE2 3.34Å; E383-Y390 PolarHBondContact OE1-OH 3.16Å; K388-Y390 HydrophobicContact CB-CE2 4Å; Y390-Y397 AromaticContact CD1-CD2 3.8Å; Y390-Y397 HydrophobicContact CD1-CD2 3.8Å; Y390-Y397 AromaticContact CD1-CE2 3.59Å; Y390-Y397 HydrophobicContact CD1-CE2 3.59Å; Y390-Y397 AromaticContact CE1-CE2 3.91Å; Y390-Y397 HydrophobicContact CE1-CE2 3.91Å; Y390-W398 WeakPolarHBondContact CA-O 3.44Å; Y390-R399 HydrophobicContact CD1-CG 4.29Å; Y390-R399 HydrophobicContact CE1-CG 4.02Å; Y390-R399 HydrophobicContact CE2-CG 4.34Å; Y390-R399 VanDerWaalsContact CZ-CD 3.48Å; Y390-F419 HydrophobicContact CD1-CZ 4.22Å; Y390-F419 HydrophobicContact CE1-CZ 4.39Å; Y390-F436 HydrophobicContact CE2-CZ 4.29Å
391	F	98.9	Very high	97	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121	175.8	-63.9	-73.4	0	0	0	109.9	Y332 F343 F368 F370 I377 A380 T389 Y397 W398 Y400 M407	Y332-F391 HydrophobicContact CD1-CE1 4.22Å; Y332-F391 AromaticContact CE1-CE1 3.63Å; Y332-F391 HydrophobicContact CE1-CE1 3.63Å; Y332-F391 AromaticContact CE1-CZ 3.81Å; Y332-F391 HydrophobicContact CE1-CZ 3.81Å; F343-F391 HydrophobicContact CE1-CE1 4.08Å; F343-F391 HydrophobicContact CE2-CE1 4.18Å; F343-F391 AromaticContact CZ-CE1 3.67Å; F343-F391 HydrophobicContact CZ-CE1 3.67Å; F343-F391 HydrophobicContact CZ-CZ 4.23Å; F368-F391 HydrophobicContact CD1-CE2 4.02Å; F368-F391 AromaticContact CD1-CZ 3.89Å; F368-F391 HydrophobicContact CD1-CZ 3.89Å; F368-F391 HydrophobicContact CE1-CE2 4.35Å; F368-F391 AromaticContact CE1-CZ 3.82Å; F368-F391 HydrophobicContact CE1-CZ 3.82Å; F368-F391 HydrophobicContact CG-CE2 4.45Å; F368-F391 HydrophobicContact CG-CZ 4.33Å; F368-F391 HydrophobicContact CZ-CZ 4.2Å; F370-F391 HydrophobicContact CE1-CB 4.22Å; F370-F391 HydrophobicContact CE2-CD2 4.12Å; F370-F391 HydrophobicContact CE2-CE2 4.3Å; F370-F391 HydrophobicContact CE2-CG 4.31Å; F370-F391 HydrophobicContact CZ-CB 3.65Å; F370-F391 HydrophobicContact CZ-CD1 4.2Å; F370-F391 AromaticContact CZ-CD2 3.67Å; F370-F391 HydrophobicContact CZ-CD2 3.67Å; F370-F391 HydrophobicContact CZ-CE2 4.3Å; F370-F391 AromaticContact CZ-CG 3.6Å; F370-F391 HydrophobicContact CZ-CG 3.6Å; I377-F391 HydrophobicContact CD1-CD1 3.71Å; I377-F391 HydrophobicContact CD1-CE1 4.06Å; I377-F391 HydrophobicContact CD1-CG 4.31Å; I377-F391 HydrophobicContact CG2-CB 4.25Å; I377-F391 HydrophobicContact CG2-CD1 3.97Å; A380-F391 HydrophobicContact CB-CD1 3.76Å; A380-F391 HydrophobicContact CB-CE1 4.05Å; T389-F391 HydrophobicContact CG2-CD1 4.46Å; T389-F391 HydrophobicContact CG2-CD2 4.33Å; T389-F391 HydrophobicContact CG2-CE1 3.97Å; T389-F391 HydrophobicContact CG2-CE2 3.8Å; T389-F391 HydrophobicContact CG2-CZ 3.61Å; F391-Y397 CarbonylContact O-C 3.46Å; F391-Y397 WeakPolarHBondContact O-CA 3.04Å; F391-Y397 WeakPolarHBondContact O-CB 3.41Å; F391-W398 HydrophobicContact CB-CB 4.3Å; F391-W398 PolarHBondContact N-O 3.17Å; F391-W398 PolarHBondContact O-N 3.37Å; F391-Y400 HydrophobicContact CE2-CG 4.18Å; F391-M407 HydrophobicContact CD2-CE 4.03Å; F391-M407 HydrophobicContact CE2-CE 4.34Å
392	F	98.9	Very high	97	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.8	179.8	-61.3	-93.2	0	0	0	109.6	D378 A379 L381 Y397 I415 F419 V426 V429 F438	D378-F392 PolarHBondContact N-O 2.97Å; A379-F392 HydrophobicContact CB-CB 4.19Å; A379-F392 HydrophobicContact CB-CD2 4.25Å; A379-F392 PolarHBondContact O-N 2.94Å; L381-F392 HydrophobicContact CD2-CE2 4.1Å; F392-Y397 HydrophobicContact CE1-CG 4.31Å; F392-I415 HydrophobicContact CD1-CD1 3.84Å; F392-I415 HydrophobicContact CD1-CG1 4Å; F392-I415 HydrophobicContact CE1-CG1 4.47Å; F392-F419 HydrophobicContact CE1-CD2 4.08Å; F392-F419 AromaticContact CE1-CE2 3.79Å; F392-F419 HydrophobicContact CE1-CE2 3.79Å; F392-F419 HydrophobicContact CE1-CZ 4.31Å; F392-F419 HydrophobicContact CZ-CE2 4.07Å; F392-F419 HydrophobicContact CZ-CZ 4.13Å; F392-V426 HydrophobicContact CB-CB 4.26Å; F392-V426 HydrophobicContact CB-CG2 4.48Å; F392-V426 HydrophobicContact CD1-CG2 3.97Å; F392-V426 HydrophobicContact CG-CB 4.4Å; F392-V426 HydrophobicContact CG-CG2 4.28Å; F392-V429 HydrophobicContact CD2-CG1 3.92Å; F392-V429 HydrophobicContact CE2-CG1 3.79Å; F392-F438 HydrophobicContact CD1-CE1 4.43Å; F392-F438 AromaticContact CE1-CE1 3.69Å; F392-F438 HydrophobicContact CE1-CE1 3.69Å; F392-F438 HydrophobicContact CE1-CZ 4.16Å; F392-F438 HydrophobicContact CE2-CE1 4.1Å; F392-F438 AromaticContact CZ-CE1 3.5Å; F392-F438 HydrophobicContact CZ-CE1 3.5Å; F392-F438 AromaticContact CZ-CZ 3.86Å; F392-F438 HydrophobicContact CZ-CZ 3.86Å
393	V	98.7	Very high	97	Very high	23 Å²	23	41.5 Å²	41.5	14%	0.139	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	108.8	-178.4	-175.2	0	0	0	0	108.9	F370 V374 N395 K396	F370-V393 HydrophobicContact CE1-CG2 4.27Å; V374-V393 HydrophobicContact CG1-CG1 4.04Å; V374-V393 HydrophobicContact CG1-CG2 4.09Å; V374-V393 HydrophobicContact CG2-CG1 4.27Å; V393-N395 PolarHBondContact O-N 2.89Å; V393-K396 CarbonylContact C-O 3.53Å; V393-K396 PolarHBondContact N-O 2.74Å; V393-K396 PolarHBondContact O-N 3Å; V393-K396 VanDerWaalsContact O-O 3.05Å
394	A	98	Very high	97	Very high	53 Å²	53	46.8 Å²	46.8	44%	0.438	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	-121.3	-170.7	0	0	0	0	0	111.2	D378 K396 I415 N424	D378-A394 WeakPolarHBondContact OD2-CA 3.47Å; D378-A394 PolarHBondContact OD2-N 3.45Å; A394-K396 VanDerWaalsContact C-N 3.33Å; A394-I415 VanDerWaalsContact O-CD1 3.23Å; A394-I415 WeakPolarHBondContact O-CD1 3.39Å; A394-N424 CarbonylContact C-O 3.53Å; A394-N424 VanDerWaalsContact O-O 3.1Å
395	N	98.3	Very high	97.5	Very high	65 Å²	65	50.2 Å²	50.2	35%	0.348	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	6.1	179.8	68.5	-20.2	0	0	0	114.5	V393 I415 N424	V393-N395 PolarHBondContact O-N 2.89Å; N395-I415 PolarHBondContact O-N 3.42Å; N395-N424 WeakPolarHBondContact CA-O 3.36Å; N395-N424 HydrophobicContact CB-CB 4.12Å; N395-N424 PolarHBondContact N-O 3.26Å
396	K	98.6	Very high	97.9	Very high	87 Å²	87	45.5 Å²	45.5	38%	0.378	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	161.6	-177	-71.9	172.7	-179.4	-178.7	0	110.8	V393 A394 P412 K413 M414	V393-K396 CarbonylContact C-O 3.53Å; V393-K396 PolarHBondContact N-O 2.74Å; V393-K396 PolarHBondContact O-N 3Å; V393-K396 VanDerWaalsContact O-O 3.05Å; A394-K396 VanDerWaalsContact C-N 3.33Å; K396-P412 HydrophobicContact CB-CB 4.01Å; K396-P412 HydrophobicContact CD-CB 3.92Å; K396-P412 HydrophobicContact CD-CG 3.9Å; K396-P412 HydrophobicContact CG-CB 4.2Å; K396-K413 CarbonylContact C-O 3.57Å; K396-K413 WeakPolarHBondContact CA-O 3.19Å; K396-M414 HydrophobicContact CG-SD 4.19Å
397	Y	98.8	Very high	98.1	Very high	8 Å²	8	45 Å²	45	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	159.1	169.4	82.7	-76.2	0	0	0	111.4	Y390 F391 F392 Y411 P412 K413 I415 D418 F419	Y390-Y397 AromaticContact CD1-CD2 3.8Å; Y390-Y397 HydrophobicContact CD1-CD2 3.8Å; Y390-Y397 AromaticContact CD1-CE2 3.59Å; Y390-Y397 HydrophobicContact CD1-CE2 3.59Å; Y390-Y397 AromaticContact CE1-CE2 3.91Å; Y390-Y397 HydrophobicContact CE1-CE2 3.91Å; F391-Y397 CarbonylContact O-C 3.46Å; F391-Y397 WeakPolarHBondContact O-CA 3.04Å; F391-Y397 WeakPolarHBondContact O-CB 3.41Å; F392-Y397 HydrophobicContact CE1-CG 4.31Å; Y397-Y411 AromaticContact CD2-CE1 3.89Å; Y397-Y411 HydrophobicContact CD2-CE1 3.89Å; Y397-Y411 HydrophobicContact CE1-CE1 4.24Å; Y397-Y411 AromaticContact CE2-CE1 3.41Å; Y397-Y411 HydrophobicContact CE2-CE1 3.41Å; Y397-Y411 VanDerWaalsContact CE2-CE1 3.41Å; Y397-Y411 AromaticContact CE2-CZ 3.95Å; Y397-Y411 AromaticContact CZ-CE1 3.59Å; Y397-Y411 VanDerWaalsContact O-CD1 3.32Å; Y397-Y411 WeakPolarHBondContact O-CD1 3.4Å; Y397-Y411 PolarHBondContact OH-OH 2.8Å; Y397-P412 WeakPolarHBondContact O-CA 3.47Å; Y397-K413 HydrophobicContact CD1-CB 4Å; Y397-K413 WeakPolarHBondContact CD1-O 3.41Å; Y397-K413 HydrophobicContact CE1-CB 3.42Å; Y397-K413 VanDerWaalsContact CE1-CB 3.42Å; Y397-K413 PolarHBondContact N-O 3.23Å; Y397-K413 PolarHBondContact O-N 2.91Å; Y397-I415 HydrophobicContact CD1-CG1 4.43Å; Y397-D418 HydrophobicContact CE1-CB 3.95Å; Y397-D418 PolarHBondContact OH-OD2 3.26Å; Y397-F419 HydrophobicContact CD1-CD2 4.45Å; Y397-F419 AromaticContact CD1-CE2 3.95Å; Y397-F419 HydrophobicContact CD1-CE2 3.95Å; Y397-F419 HydrophobicContact CD2-CE2 4.02Å; Y397-F419 HydrophobicContact CE1-CD2 4.35Å; Y397-F419 AromaticContact CE1-CE2 3.77Å; Y397-F419 HydrophobicContact CE1-CE2 3.77Å; Y397-F419 AromaticContact CE2-CE2 3.82Å; Y397-F419 HydrophobicContact CE2-CE2 3.82Å; Y397-F419 HydrophobicContact CE2-CZ 4.2Å; Y397-F419 HydrophobicContact CG-CE2 4.07Å; Y397-F419 AromaticContact CZ-CE2 3.7Å
398	W	98.8	Very high	98.3	Very high	30 Å²	30	45.7 Å²	45.7	11%	0.114	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	153.2	176.6	-49.2	103.3	0	0	0	109.4	F370 Y390 F391 M407 Y411 P412	F370-W398 AromaticContact CD1-CD1 3.91Å; F370-W398 AromaticContact CD1-NE1 3.94Å; F370-W398 AromaticContact CE1-CD1 3.22Å; F370-W398 AromaticContact CE1-CG 3.94Å; F370-W398 HydrophobicContact CE1-CG 3.94Å; F370-W398 AromaticContact CE1-NE1 3.65Å; Y390-W398 WeakPolarHBondContact CA-O 3.44Å; F391-W398 HydrophobicContact CB-CB 4.3Å; F391-W398 PolarHBondContact N-O 3.17Å; F391-W398 PolarHBondContact O-N 3.37Å; W398-M407 HydrophobicContact CB-CE 4Å; W398-M407 HydrophobicContact CB-SD 3.81Å; W398-M407 HydrophobicContact CG-CE 4.49Å; W398-Y411 WeakPolarHBondContact CZ3-O 3.38Å; W398-P412 HydrophobicContact CD2-CB 3.94Å; W398-P412 HydrophobicContact CE3-CB 3.63Å; W398-P412 HydrophobicContact CE3-CG 4.32Å; W398-P412 HydrophobicContact CH2-CB 3.09Å; W398-P412 HydrophobicContact CH2-CG 3.01Å; W398-P412 HydrophobicContact CZ2-CB 3.41Å; W398-P412 VanDerWaalsContact CZ2-CB 3.41Å; W398-P412 HydrophobicContact CZ2-CG 3.67Å; W398-P412 HydrophobicContact CZ3-CB 3.24Å; W398-P412 HydrophobicContact CZ3-CG 3.43Å; W398-P412 VanDerWaalsContact CZ3-CG 3.43Å
399	R	98.7	Very high	98.3	Very high	72 Å²	72	49.8 Å²	49.8	27%	0.272	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.6	169.7	-164.3	173.5	68.6	-172.8	0.6	109.7	K388 T389 Y390 D408 Y411	K388-R399 HydrophobicContact CB-CG 4.12Å; K388-R399 HydrophobicContact CD-CG 4.29Å; T389-R399 CarbonylContact O-C 3.52Å; T389-R399 VanDerWaalsContact O-CA 3.32Å; T389-R399 WeakPolarHBondContact O-CA 3.24Å; Y390-R399 HydrophobicContact CD1-CG 4.29Å; Y390-R399 HydrophobicContact CE1-CG 4.02Å; Y390-R399 HydrophobicContact CE2-CG 4.34Å; Y390-R399 VanDerWaalsContact CZ-CD 3.48Å; R399-D408 IonicContact CZ-OD2 2.81Å; R399-D408 IonicContact NE-OD2 3.6Å; R399-D408 PolarHBondContact NE-OD2 3.4Å; R399-D408 IonicContact NH2-OD2 3.55Å; R399-D408 PolarHBondContact NH2-OD2 3.17Å; R399-D408 PolarHBondContact O-N 2.82Å; R399-Y411 HydrophobicContact CB-CD1 4.47Å; R399-Y411 HydrophobicContact CB-CD2 4.17Å; R399-Y411 HydrophobicContact CB-CE1 3.89Å; R399-Y411 HydrophobicContact CB-CE2 3.54Å
400	Y	98.8	Very high	98.2	Very high	6 Å²	6	52.8 Å²	52.8	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	140.4	179.9	-178	-99.8	0	0	0	109.6	S367 F368 K388 T389 F391 E402 R405 S406 M407	S367-Y400 PolarHBondContact O-OH 3.05Å; F368-Y400 HydrophobicContact CB-CD2 4.4Å; F368-Y400 HydrophobicContact CB-CE2 4.31Å; F368-Y400 AromaticContact CD1-CD1 3.98Å; F368-Y400 HydrophobicContact CD1-CD1 3.98Å; F368-Y400 HydrophobicContact CD1-CD2 4.09Å; F368-Y400 AromaticContact CD1-CE1 3.78Å; F368-Y400 HydrophobicContact CD1-CE1 3.78Å; F368-Y400 AromaticContact CD1-CE2 3.91Å; F368-Y400 HydrophobicContact CD1-CE2 3.91Å; F368-Y400 HydrophobicContact CD1-CG 4.12Å; F368-Y400 AromaticContact CD1-CZ 3.74Å; F368-Y400 HydrophobicContact CE1-CD1 4.31Å; F368-Y400 HydrophobicContact CE1-CE1 4.03Å; K388-Y400 WeakPolarHBondContact CA-O 3.44Å; T389-Y400 PolarHBondContact N-O 2.95Å; T389-Y400 PolarHBondContact O-N 2.92Å; F391-Y400 HydrophobicContact CE2-CG 4.18Å; Y400-E402 HydrophobicContact CD1-CG 4.24Å; Y400-E402 HydrophobicContact CE1-CG 4.39Å; Y400-R405 VanDerWaalsContact CZ-C 3.5Å; Y400-R405 WeakPolarHBondContact OH-CA 3.34Å; Y400-R405 PolarHBondContact OH-O 2.86Å; Y400-S406 VanDerWaalsContact CD2-C 3.43Å; Y400-S406 VanDerWaalsContact CE2-N 3.34Å; Y400-M407 HydrophobicContact CD2-CE 4.28Å; Y400-M407 HydrophobicContact CD2-CG 4.23Å; Y400-M407 HydrophobicContact CD2-SD 4.09Å; Y400-M407 HydrophobicContact CG-SD 4.49Å
401	D	98.4	Very high	98.1	Very high	9 Å²	9	53.3 Å²	53.3	5%	0.048	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	109.4	175.8	-172.3	-46.3	0	0	0	108.6	K388 Y403 K404 R405 S406	K388-D401 HydrophobicContact CD-CB 4.41Å; K388-D401 IonicContact NZ-OD2 3.21Å; K388-D401 PolarHBondContact NZ-OD2 3.04Å; D401-Y403 VanDerWaalsContact C-N 3.25Å; D401-Y403 PolarHBondContact O-N 2.89Å; D401-Y403 PolarHBondContact OD1-N 3.4Å; D401-Y403 VanDerWaalsContact OD1-N 3.09Å; D401-K404 HydrophobicContact CB-CB 4.03Å; D401-K404 HydrophobicContact CB-CD 4.47Å; D401-K404 HydrophobicContact CB-CG 4.43Å; D401-K404 PolarHBondContact OD1-N 3.32Å; D401-K404 WeakPolarHBondContact OD2-CD 3.38Å; D401-R405 VanDerWaalsContact O-CA 3.25Å; D401-R405 WeakPolarHBondContact O-CA 3.43Å; D401-R405 PolarHBondContact O-N 2.94Å; D401-S406 PolarHBondContact N-O 3.21Å; D401-S406 PolarHBondContact O-N 3.04Å
402	E	97.9	Very high	98.1	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.009	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.8	-176.7	-71.9	-72	176.6	0	0	112.9	Y332 F334 R341 G387 T389 Y400 R405	Y332-E402 WeakPolarHBondContact CE2-OE1 3.34Å; Y332-E402 PolarHBondContact OH-OE1 2.99Å; F334-E402 HydrophobicContact CD2-CB 4.13Å; F334-E402 HydrophobicContact CD2-CG 3.91Å; F334-E402 HydrophobicContact CE1-CB 4Å; F334-E402 HydrophobicContact CE1-CG 4.49Å; F334-E402 HydrophobicContact CE2-CB 3.62Å; F334-E402 HydrophobicContact CE2-CG 3.92Å; F334-E402 HydrophobicContact CG-CG 4.25Å; F334-E402 HydrophobicContact CZ-CB 3.54Å; F334-E402 HydrophobicContact CZ-CG 4.22Å; R341-E402 IonicContact CZ-OE1 3.67Å; R341-E402 IonicContact CZ-OE2 3.16Å; R341-E402 IonicContact NH1-OE1 3.57Å; R341-E402 PolarHBondContact NH1-OE1 3.23Å; R341-E402 IonicContact NH1-OE2 2.82Å; R341-E402 PolarHBondContact NH1-OE2 3.42Å; R341-E402 IonicContact NH2-OE2 2.73Å; G387-E402 WeakPolarHBondContact O-CB 3.33Å; G387-E402 PolarHBondContact O-N 3.43Å; T389-E402 VanDerWaalsContact OG1-CG 3.24Å; T389-E402 WeakPolarHBondContact OG1-CG 3.35Å; T389-E402 PolarHBondContact OG1-OE1 3.47Å; T389-E402 VanDerWaalsContact OG1-OE1 3.12Å; Y400-E402 HydrophobicContact CD1-CG 4.24Å; Y400-E402 HydrophobicContact CE1-CG 4.39Å; E402-R405 WeakPolarHBondContact O-CG 3.36Å
403	Y	96.6	Very high	98.1	Very high	115 Å²	115	59.4 Å²	59.4	45%	0.451	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-45.8	179.4	-54.5	-58.8	0	0	0	111.5	F334 D336 G387 D401 R405	F334-Y403 HydrophobicContact CE2-CE1 4.37Å; F334-Y403 HydrophobicContact CZ-CD1 4.35Å; F334-Y403 AromaticContact CZ-CE1 3.91Å; F334-Y403 HydrophobicContact CZ-CE1 3.91Å; D336-Y403 WeakPolarHBondContact OD2-CE1 3.41Å; D336-Y403 VanDerWaalsContact OD2-CZ 3.26Å; D336-Y403 PolarHBondContact OD2-OH 3Å; G387-Y403 VanDerWaalsContact CA-CE2 3.45Å; D401-Y403 VanDerWaalsContact C-N 3.25Å; D401-Y403 PolarHBondContact O-N 2.89Å; D401-Y403 PolarHBondContact OD1-N 3.4Å; D401-Y403 VanDerWaalsContact OD1-N 3.09Å; Y403-R405 PolarHBondContact O-N 3.17Å
404	K	97.3	Very high	98.1	Very high	149 Å²	149	61.1 Å²	61.1	65%	0.648	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-17.8	175.2	-63.6	-178.9	-173.3	175.1	0	112.9	D401 S406	D401-K404 HydrophobicContact CB-CB 4.03Å; D401-K404 HydrophobicContact CB-CD 4.47Å; D401-K404 HydrophobicContact CB-CG 4.43Å; D401-K404 PolarHBondContact OD1-N 3.32Å; D401-K404 WeakPolarHBondContact OD2-CD 3.38Å; K404-S406 VanDerWaalsContact C-N 3.33Å; K404-S406 PolarHBondContact O-N 3.18Å
405	R	97.3	Very high	98.1	Very high	171 Å²	171	58.6 Å²	58.6	65%	0.645	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	45	-177	-56.7	179.5	65.4	179	-1.4	112.6	Y400 D401 E402 Y403	Y400-R405 VanDerWaalsContact CZ-C 3.5Å; Y400-R405 WeakPolarHBondContact OH-CA 3.34Å; Y400-R405 PolarHBondContact OH-O 2.86Å; D401-R405 VanDerWaalsContact O-CA 3.25Å; D401-R405 WeakPolarHBondContact O-CA 3.43Å; D401-R405 PolarHBondContact O-N 2.94Å; E402-R405 WeakPolarHBondContact O-CG 3.36Å; Y403-R405 PolarHBondContact O-N 3.17Å
406	S	97.9	Very high	98	Very high	53 Å²	53	57.6 Å²	57.6	37%	0.371	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	152.3	-178.6	63.5	0	0	0	0	111.7	Y400 D401 K404	Y400-S406 VanDerWaalsContact CD2-C 3.43Å; Y400-S406 VanDerWaalsContact CE2-N 3.34Å; D401-S406 PolarHBondContact N-O 3.21Å; D401-S406 PolarHBondContact O-N 3.04Å; K404-S406 VanDerWaalsContact C-N 3.33Å; K404-S406 PolarHBondContact O-N 3.18Å
407	M	98.2	Very high	97.9	Very high	46 Å²	46	60.1 Å²	60.1	23%	0.227	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	138	169.4	-71.9	-69.4	179.5	0	0	111	F368 F370 F391 W398 Y400	F368-M407 HydrophobicContact CB-CE 4.2Å; F368-M407 WeakPolarHBondContact O-CE 3.32Å; F368-M407 VanDerWaalsContact O-CG 3.32Å; F368-M407 WeakPolarHBondContact O-CG 3.46Å; F370-M407 HydrophobicContact CD1-CE 4.31Å; F370-M407 HydrophobicContact CD2-CE 3.95Å; F370-M407 HydrophobicContact CE1-CE 4.02Å; F370-M407 HydrophobicContact CE2-CE 3.55Å; F370-M407 HydrophobicContact CG-CE 4.3Å; F370-M407 HydrophobicContact CZ-CE 3.6Å; F391-M407 HydrophobicContact CD2-CE 4.03Å; F391-M407 HydrophobicContact CE2-CE 4.34Å; W398-M407 HydrophobicContact CB-CE 4Å; W398-M407 HydrophobicContact CB-SD 3.81Å; W398-M407 HydrophobicContact CG-CE 4.49Å; Y400-M407 HydrophobicContact CD2-CE 4.28Å; Y400-M407 HydrophobicContact CD2-CG 4.23Å; Y400-M407 HydrophobicContact CD2-SD 4.09Å; Y400-M407 HydrophobicContact CG-SD 4.49Å
408	D	98.3	Very high	97.8	Very high	16 Å²	16	61.5 Å²	61.5	9%	0.086	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-64.6	147	170.7	-84.6	-14.2	0	0	0	110.1	K388 R399 Y411	K388-D408 IonicContact NZ-OD1 3.93Å; K388-D408 PolarHBondContact NZ-OD1 2.76Å; K388-D408 IonicContact NZ-OD2 3.99Å; K388-D408 PolarHBondContact NZ-OD2 2.85Å; R399-D408 IonicContact CZ-OD2 2.81Å; R399-D408 IonicContact NE-OD2 3.6Å; R399-D408 PolarHBondContact NE-OD2 3.4Å; R399-D408 IonicContact NH2-OD2 3.55Å; R399-D408 PolarHBondContact NH2-OD2 3.17Å; R399-D408 PolarHBondContact O-N 2.82Å; D408-Y411 HydrophobicContact CB-CD2 3.92Å; D408-Y411 HydrophobicContact CB-CE2 3.98Å; D408-Y411 WeakPolarHBondContact O-CD2 3.48Å
409	P	97.6	Very high	97.8	Very high	119 Å²	119	60.5 Å²	60.5	77%	0.773	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	154.9	177.5	28.9	-35.2	0	0	0	112
410	G	96.8	Very high	97.8	Very high	63 Å²	63	59.6 Å²	59.6	65%	0.649	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	19.9	177.7	0	0	0	0	0	114.6	K413	G410-K413 WeakPolarHBondContact O-CE 3.3Å
411	Y	98.1	Very high	97.6	Very high	31 Å²	31	62.1 Å²	62.1	12%	0.122	34%	0.34	C	S	.	.			trans	-107	144.2	173.4	-81	-82.7	0	0	0	110.2	Y397 W398 R399 D408 K413	Y397-Y411 AromaticContact CD2-CE1 3.89Å; Y397-Y411 HydrophobicContact CD2-CE1 3.89Å; Y397-Y411 HydrophobicContact CE1-CE1 4.24Å; Y397-Y411 AromaticContact CE2-CE1 3.41Å; Y397-Y411 HydrophobicContact CE2-CE1 3.41Å; Y397-Y411 VanDerWaalsContact CE2-CE1 3.41Å; Y397-Y411 AromaticContact CE2-CZ 3.95Å; Y397-Y411 AromaticContact CZ-CE1 3.59Å; Y397-Y411 VanDerWaalsContact O-CD1 3.32Å; Y397-Y411 WeakPolarHBondContact O-CD1 3.4Å; Y397-Y411 PolarHBondContact OH-OH 2.8Å; W398-Y411 WeakPolarHBondContact CZ3-O 3.38Å; R399-Y411 HydrophobicContact CB-CD1 4.47Å; R399-Y411 HydrophobicContact CB-CD2 4.17Å; R399-Y411 HydrophobicContact CB-CE1 3.89Å; R399-Y411 HydrophobicContact CB-CE2 3.54Å; D408-Y411 HydrophobicContact CB-CD2 3.92Å; D408-Y411 HydrophobicContact CB-CE2 3.98Å; D408-Y411 WeakPolarHBondContact O-CD2 3.48Å; Y411-K413 HydrophobicContact CD1-CB 4.26Å; Y411-K413 HydrophobicContact CD1-CD 4.37Å; Y411-K413 HydrophobicContact CD1-CG 3.95Å; Y411-K413 HydrophobicContact CE1-CB 4.1Å; Y411-K413 HydrophobicContact CE1-CD 3.85Å; Y411-K413 HydrophobicContact CE1-CG 3.88Å
412	P	98.3	Very high	97.6	Very high	52 Å²	52	61.8 Å²	61.8	34%	0.338	34%	0.338	S	S	.	.			cis	-85.8	159.6	19.1	24.7	-21.4	0	0	0	111.4	K396 Y397 W398	K396-P412 HydrophobicContact CB-CB 4.01Å; K396-P412 HydrophobicContact CD-CB 3.92Å; K396-P412 HydrophobicContact CD-CG 3.9Å; K396-P412 HydrophobicContact CG-CB 4.2Å; Y397-P412 WeakPolarHBondContact O-CA 3.47Å; W398-P412 HydrophobicContact CD2-CB 3.94Å; W398-P412 HydrophobicContact CE3-CB 3.63Å; W398-P412 HydrophobicContact CE3-CG 4.32Å; W398-P412 HydrophobicContact CH2-CB 3.09Å; W398-P412 HydrophobicContact CH2-CG 3.01Å; W398-P412 HydrophobicContact CZ2-CB 3.41Å; W398-P412 VanDerWaalsContact CZ2-CB 3.41Å; W398-P412 HydrophobicContact CZ2-CG 3.67Å; W398-P412 HydrophobicContact CZ3-CB 3.24Å; W398-P412 HydrophobicContact CZ3-CG 3.43Å; W398-P412 VanDerWaalsContact CZ3-CG 3.43Å
413	K	98.4	Very high	97.4	Very high	78 Å²	78	63.2 Å²	63.2	34%	0.339	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	157.6	167	-66.1	-175.8	-176.1	-177.2	0	110.7	K396 Y397 G410 Y411 D418	K396-K413 CarbonylContact C-O 3.57Å; K396-K413 WeakPolarHBondContact CA-O 3.19Å; Y397-K413 HydrophobicContact CD1-CB 4Å; Y397-K413 WeakPolarHBondContact CD1-O 3.41Å; Y397-K413 HydrophobicContact CE1-CB 3.42Å; Y397-K413 VanDerWaalsContact CE1-CB 3.42Å; Y397-K413 PolarHBondContact N-O 3.23Å; Y397-K413 PolarHBondContact O-N 2.91Å; G410-K413 WeakPolarHBondContact O-CE 3.3Å; Y411-K413 HydrophobicContact CD1-CB 4.26Å; Y411-K413 HydrophobicContact CD1-CD 4.37Å; Y411-K413 HydrophobicContact CD1-CG 3.95Å; Y411-K413 HydrophobicContact CE1-CB 4.1Å; Y411-K413 HydrophobicContact CE1-CD 3.85Å; Y411-K413 HydrophobicContact CE1-CG 3.88Å; K413-D418 WeakPolarHBondContact CD-OD2 3.32Å
414	M	98.3	Very high	97.4	Very high	59 Å²	59	62.1 Å²	62.1	29%	0.291	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	132.5	176	-68.8	-68.3	-71.4	0	0	109.6	K396 S416 H417	K396-M414 HydrophobicContact CG-SD 4.19Å; M414-S416 VanDerWaalsContact C-N 3.26Å; M414-S416 PolarHBondContact O-N 3.3Å; M414-H417 HydrophobicContact CB-CB 4.34Å; M414-H417 PolarHBondContact O-N 3.36Å
415	I	98.4	Very high	97.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.7	-44.6	176.9	-65.6	172.5	0	0	0	110.1	F392 A394 N395 Y397 H417 D418 F419 I422 V426	F392-I415 HydrophobicContact CD1-CD1 3.84Å; F392-I415 HydrophobicContact CD1-CG1 4Å; F392-I415 HydrophobicContact CE1-CG1 4.47Å; A394-I415 VanDerWaalsContact O-CD1 3.23Å; A394-I415 WeakPolarHBondContact O-CD1 3.39Å; N395-I415 PolarHBondContact O-N 3.42Å; Y397-I415 HydrophobicContact CD1-CG1 4.43Å; I415-H417 PolarHBondContact O-N 2.59Å; I415-H417 VanDerWaalsContact O-N 3.14Å; I415-D418 PolarHBondContact O-N 2.87Å; I415-F419 HydrophobicContact CG2-CB 4.22Å; I415-F419 HydrophobicContact CG2-CD2 4.27Å; I415-F419 WeakPolarHBondContact O-CA 3.29Å; I415-F419 PolarHBondContact O-N 3.1Å; I415-I422 HydrophobicContact CG2-CD1 3.79Å; I415-I422 HydrophobicContact CG2-CG1 4Å; I415-V426 HydrophobicContact CD1-CG2 4.29Å
416	S	96.9	Very high	97.4	Very high	44 Å²	44	51.3 Å²	51.3	31%	0.308	31%	0.313	S	S	.	.	H	α-helix	trans	-61.2	-23.8	-177.3	56.7	0	0	0	0	115	M414	M414-S416 VanDerWaalsContact C-N 3.26Å; M414-S416 PolarHBondContact O-N 3.3Å
417	H	96.4	Very high	97.4	Very high	140 Å²	140	50.1 Å²	50.1	65%	0.648	30%	0.303	S	S	*	.	H	α-helix	trans	-80.9	-40.7	179.8	-68.7	-173.2	0	0	0	111.9	M414 I415	M414-H417 HydrophobicContact CB-CB 4.34Å; M414-H417 PolarHBondContact O-N 3.36Å; I415-H417 PolarHBondContact O-N 2.59Å; I415-H417 VanDerWaalsContact O-N 3.14Å
418	D	97.5	Very high	97.4	Very high	36 Å²	36	48 Å²	48	19%	0.193	29%	0.292	C	S	.	.	H	α-helix	trans	-100.5	-21.8	-173.2	-74.4	-44.6	0	0	0	113.6	Y397 K413 I415 P420 K452	Y397-D418 HydrophobicContact CE1-CB 3.95Å; Y397-D418 PolarHBondContact OH-OD2 3.26Å; K413-D418 WeakPolarHBondContact CD-OD2 3.32Å; I415-D418 PolarHBondContact O-N 2.87Å; D418-P420 VanDerWaalsContact C-CD 3.5Å; D418-P420 WeakPolarHBondContact O-CD 3.4Å; D418-K452 IonicContact OD1-NZ 3.17Å; D418-K452 PolarHBondContact OD1-NZ 3.31Å
419	F	98.1	Very high	97.4	Very high	9 Å²	9	47.2 Å²	47.2	4%	0.039	29%	0.288	C	S	.	.	S	Bend	trans	-125.4	67.1	176.6	-51.6	-81	0	0	0	110.5	Y390 F392 Y397 I415 G421 I422 F436 F438 F447	Y390-F419 HydrophobicContact CD1-CZ 4.22Å; Y390-F419 HydrophobicContact CE1-CZ 4.39Å; F392-F419 HydrophobicContact CE1-CD2 4.08Å; F392-F419 AromaticContact CE1-CE2 3.79Å; F392-F419 HydrophobicContact CE1-CE2 3.79Å; F392-F419 HydrophobicContact CE1-CZ 4.31Å; F392-F419 HydrophobicContact CZ-CE2 4.07Å; F392-F419 HydrophobicContact CZ-CZ 4.13Å; Y397-F419 HydrophobicContact CD1-CD2 4.45Å; Y397-F419 AromaticContact CD1-CE2 3.95Å; Y397-F419 HydrophobicContact CD1-CE2 3.95Å; Y397-F419 HydrophobicContact CD2-CE2 4.02Å; Y397-F419 HydrophobicContact CE1-CD2 4.35Å; Y397-F419 AromaticContact CE1-CE2 3.77Å; Y397-F419 HydrophobicContact CE1-CE2 3.77Å; Y397-F419 AromaticContact CE2-CE2 3.82Å; Y397-F419 HydrophobicContact CE2-CE2 3.82Å; Y397-F419 HydrophobicContact CE2-CZ 4.2Å; Y397-F419 HydrophobicContact CG-CE2 4.07Å; Y397-F419 AromaticContact CZ-CE2 3.7Å; I415-F419 HydrophobicContact CG2-CB 4.22Å; I415-F419 HydrophobicContact CG2-CD2 4.27Å; I415-F419 WeakPolarHBondContact O-CA 3.29Å; I415-F419 PolarHBondContact O-N 3.1Å; F419-G421 PolarHBondContact O-N 3.08Å; F419-I422 HydrophobicContact CB-CD1 3.62Å; F419-I422 HydrophobicContact CB-CG1 4.06Å; F419-I422 HydrophobicContact CG-CD1 4.35Å; F419-I422 WeakPolarHBondContact O-CG1 3.44Å; F419-F436 AromaticContact CE1-CD2 3.82Å; F419-F436 HydrophobicContact CE1-CD2 3.82Å; F419-F436 AromaticContact CE1-CE2 3.79Å; F419-F436 HydrophobicContact CE1-CE2 3.79Å; F419-F436 HydrophobicContact CZ-CE2 4.25Å; F419-F438 AromaticContact CD1-CE2 3.85Å; F419-F438 HydrophobicContact CD1-CE2 3.85Å; F419-F438 AromaticContact CD1-CZ 3.6Å; F419-F438 HydrophobicContact CD1-CZ 3.6Å; F419-F438 HydrophobicContact CE1-CE2 4.39Å; F419-F438 AromaticContact CE1-CZ 3.9Å; F419-F438 HydrophobicContact CE1-CZ 3.9Å; F419-F438 HydrophobicContact CG-CE2 4.42Å; F419-F438 AromaticContact CG-CZ 4Å; F419-F438 HydrophobicContact CG-CZ 4Å; F419-F447 HydrophobicContact CB-CE2 4.45Å; F419-F447 HydrophobicContact CB-CZ 4.3Å; F419-F447 AromaticContact CD1-CD1 4Å; F419-F447 HydrophobicContact CD1-CD1 4Å; F419-F447 AromaticContact CD1-CE1 3.55Å; F419-F447 HydrophobicContact CD1-CE1 3.55Å; F419-F447 AromaticContact CD1-CZ 3.95Å; F419-F447 HydrophobicContact CD1-CZ 3.95Å; F419-F447 HydrophobicContact CE1-CE1 4.18Å
420	P	97.9	Very high	97.5	Very high	53 Å²	53	41.7 Å²	41.7	34%	0.344	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	135.7	-174.7	26.5	-35.6	0	0	0	112.1	D418 F447 K452	D418-P420 VanDerWaalsContact C-CD 3.5Å; D418-P420 WeakPolarHBondContact O-CD 3.4Å; P420-F447 HydrophobicContact CG-CE2 4.48Å; P420-K452 HydrophobicContact CG-CB 4.36Å; P420-K452 WeakPolarHBondContact CG-O 3.42Å
421	G	96.1	Very high	97.5	Very high	60 Å²	60	40 Å²	40	62%	0.619	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.4	-13.6	172.1	0	0	0	0	0	116.4	F419 G423 I454	F419-G421 PolarHBondContact O-N 3.08Å; G421-G423 VanDerWaalsContact C-N 3.28Å; G421-G423 PolarHBondContact O-N 2.04Å; G421-I454 VanDerWaalsContact C-CD1 3.41Å; G421-I454 WeakPolarHBondContact O-CD1 3.44Å
422	I	96.5	Very high	97.3	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	24%	0.236	C	C	.	.	S	Bend	trans	-81	-10.4	179.5	72.9	172.5	0	0	0	113.2	I415 F419 V426 F438 Y445 F447 I454	I415-I422 HydrophobicContact CG2-CD1 3.79Å; I415-I422 HydrophobicContact CG2-CG1 4Å; F419-I422 HydrophobicContact CB-CD1 3.62Å; F419-I422 HydrophobicContact CB-CG1 4.06Å; F419-I422 HydrophobicContact CG-CD1 4.35Å; F419-I422 WeakPolarHBondContact O-CG1 3.44Å; I422-V426 HydrophobicContact CD1-CG2 4.15Å; I422-F438 HydrophobicContact CD1-CB 4.34Å; I422-F438 HydrophobicContact CD1-CD1 3.57Å; I422-F438 HydrophobicContact CD1-CD2 3.83Å; I422-F438 HydrophobicContact CD1-CE1 3.63Å; I422-F438 HydrophobicContact CD1-CE2 3.88Å; I422-F438 HydrophobicContact CD1-CG 3.65Å; I422-F438 HydrophobicContact CD1-CZ 3.77Å; I422-F438 HydrophobicContact CG2-CD2 4.06Å; I422-F438 HydrophobicContact CG2-CG 4.42Å; I422-Y445 HydrophobicContact CB-CD2 4.49Å; I422-Y445 HydrophobicContact CB-CG 4.39Å; I422-Y445 HydrophobicContact CG2-CD1 4.4Å; I422-Y445 HydrophobicContact CG2-CG 4.14Å; I422-F447 HydrophobicContact CG2-CD2 4.36Å; I422-I454 HydrophobicContact CG2-CD1 4.21Å; I422-I454 HydrophobicContact CG2-CG1 4.28Å
423	G	94.9	Very high	97.1	Very high	31 Å²	31	45.3 Å²	45.3	32%	0.32	25%	0.252	S	S	.	.			trans	97.5	-157.9	-175.6	0	0	0	0	0	112.8	G421	G421-G423 VanDerWaalsContact C-N 3.28Å; G421-G423 PolarHBondContact O-N 2.04Å
424	N	95.5	Very high	96.9	Very high	93 Å²	93	43.6 Å²	43.6	50%	0.497	26%	0.256	S	S	.	.	S	Bend	trans	-120.2	14.4	-173.5	-62.7	-36.5	0	0	0	113.1	A394 N395	A394-N424 CarbonylContact C-O 3.53Å; A394-N424 VanDerWaalsContact O-O 3.1Å; N395-N424 WeakPolarHBondContact CA-O 3.36Å; N395-N424 HydrophobicContact CB-CB 4.12Å; N395-N424 PolarHBondContact N-O 3.26Å
425	K	96.2	Very high	96.9	Very high	91 Å²	91	43.1 Å²	43.1	40%	0.396	25%	0.253	S	S	.	.			trans	-148.7	145.4	177.7	-174.4	175.8	-171.1	-72.1	0	108.1	D427 H440	K425-D427 IonicContact NZ-OD1 3.3Å; K425-D427 PolarHBondContact NZ-OD1 3.28Å; K425-H440 PolarHBondContact O-ND1 3.41Å
426	V	98.6	Very high	96.9	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	25%	0.253	C	S	.	.			trans	-130.8	127.9	177.4	-177.6	0	0	0	0	106.8	D378 A379 F392 I415 I422 A428 V429 F438	D378-V426 VanDerWaalsContact CB-O 3.24Å; D378-V426 WeakPolarHBondContact CB-O 3.5Å; A379-V426 HydrophobicContact CB-CB 4.15Å; A379-V426 HydrophobicContact CB-CG1 3.54Å; F392-V426 HydrophobicContact CB-CB 4.26Å; F392-V426 HydrophobicContact CB-CG2 4.48Å; F392-V426 HydrophobicContact CD1-CG2 3.97Å; F392-V426 HydrophobicContact CG-CB 4.4Å; F392-V426 HydrophobicContact CG-CG2 4.28Å; I415-V426 HydrophobicContact CD1-CG2 4.29Å; I422-V426 HydrophobicContact CD1-CG2 4.15Å; V426-A428 VanDerWaalsContact CG1-O 3.3Å; V426-A428 WeakPolarHBondContact CG1-O 3.21Å; V426-V429 HydrophobicContact CG1-CB 4.13Å; V426-V429 HydrophobicContact CG1-CG1 4.48Å; V426-F438 HydrophobicContact CG1-CD1 3.77Å; V426-F438 HydrophobicContact CG1-CE1 4.43Å; V426-F438 HydrophobicContact CG2-CD1 3.91Å; V426-F438 HydrophobicContact CG2-CE1 4.21Å
427	D	98.6	Very high	97	Very high	28 Å²	28	42 Å²	42	15%	0.15	24%	0.242	C	C	.	.	S	Bend	trans	-92	-33	176.7	-61.3	-16.5	0	0	0	111.2	D378 K425 F439 H440 G441	D378-D427 CarbonylContact O-C 3.57Å; K425-D427 IonicContact NZ-OD1 3.3Å; K425-D427 PolarHBondContact NZ-OD1 3.28Å; D427-F439 PolarHBondContact N-O 3.22Å; D427-H440 IonicContact OD1-CD2 3.11Å; D427-H440 IonicContact OD2-CD2 2.81Å; D427-G441 PolarHBondContact OD2-N 3.46Å
428	A	98.8	Very high	97.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	157.3	174.2	0	0	0	0	0	110.1	I287 V426 F439	I287-A428 HydrophobicContact CB-CB 4.01Å; I287-A428 HydrophobicContact CD1-CB 3.62Å; I287-A428 HydrophobicContact CG1-CB 3.57Å; V426-A428 VanDerWaalsContact CG1-O 3.3Å; V426-A428 WeakPolarHBondContact CG1-O 3.21Å; A428-F439 HydrophobicContact CB-CB 4.23Å; A428-F439 PolarHBondContact N-O 3.42Å; A428-F439 PolarHBondContact O-N 3.27Å
429	V	98.8	Very high	97.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	144.3	175.4	64.1	0	0	0	0	110	A379 A380 L381 F392 V426 Y437 F438	A379-V429 HydrophobicContact CB-CB 4.47Å; A379-V429 HydrophobicContact CB-CG1 3.78Å; A380-V429 VanDerWaalsContact O-O 3.07Å; L381-V429 HydrophobicContact CB-CG1 4.16Å; L381-V429 HydrophobicContact CD2-CB 4.12Å; L381-V429 HydrophobicContact CD2-CG1 3.62Å; L381-V429 HydrophobicContact CD2-CG2 3.37Å; L381-V429 HydrophobicContact CG-CG1 4.35Å; F392-V429 HydrophobicContact CD2-CG1 3.92Å; F392-V429 HydrophobicContact CE2-CG1 3.79Å; V426-V429 HydrophobicContact CG1-CB 4.13Å; V426-V429 HydrophobicContact CG1-CG1 4.48Å; V429-Y437 VanDerWaalsContact CA-O 3.31Å; V429-Y437 WeakPolarHBondContact CA-O 2.95Å; V429-F438 HydrophobicContact CB-CD1 3.86Å; V429-F438 HydrophobicContact CB-CE1 4.14Å; V429-F438 HydrophobicContact CG2-CD1 3.47Å; V429-F438 VanDerWaalsContact CG2-CD1 3.47Å; V429-F438 HydrophobicContact CG2-CD2 4.44Å; V429-F438 HydrophobicContact CG2-CE1 3.57Å; V429-F438 HydrophobicContact CG2-CG 3.95Å; V429-F438 HydrophobicContact CG2-CZ 4.13Å
430	F	98.3	Very high	97.2	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.013	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	165.8	166.7	71	-83.6	0	0	0	110.4	I287 T289 V294 K432 Y437 F439 W463	I287-F430 HydrophobicContact CB-CD1 4.19Å; I287-F430 HydrophobicContact CG2-CB 4.27Å; I287-F430 HydrophobicContact CG2-CD1 3.4Å; I287-F430 HydrophobicContact CG2-CE1 3.89Å; I287-F430 HydrophobicContact CG2-CG 4.05Å; T289-F430 HydrophobicContact CG2-CD2 4.06Å; V294-F430 HydrophobicContact CG1-CD1 4.26Å; V294-F430 HydrophobicContact CG1-CD2 4.27Å; V294-F430 HydrophobicContact CG1-CE1 3.97Å; V294-F430 HydrophobicContact CG1-CE2 4.02Å; V294-F430 HydrophobicContact CG1-CG 4.36Å; V294-F430 HydrophobicContact CG1-CZ 3.83Å; V294-F430 HydrophobicContact CG2-CD2 4.24Å; V294-F430 HydrophobicContact CG2-CE2 3.74Å; V294-F430 HydrophobicContact CG2-CZ 4.16Å; F430-K432 HydrophobicContact CD2-CB 4.16Å; F430-K432 HydrophobicContact CE2-CB 3.81Å; F430-K432 HydrophobicContact CE2-CD 4.37Å; F430-Y437 HydrophobicContact CE1-CG 4.27Å; F430-Y437 HydrophobicContact CE2-CD2 4.01Å; F430-Y437 HydrophobicContact CE2-CG 4.32Å; F430-Y437 HydrophobicContact CZ-CD2 4.15Å; F430-Y437 AromaticContact CZ-CG 4Å; F430-Y437 HydrophobicContact CZ-CG 4Å; F430-Y437 PolarHBondContact N-O 3.3Å; F430-Y437 PolarHBondContact O-N 3.37Å; F430-F439 AromaticContact CD1-CE2 3.92Å; F430-F439 HydrophobicContact CD1-CE2 3.92Å; F430-F439 AromaticContact CE1-CE2 3.62Å; F430-F439 HydrophobicContact CE1-CE2 3.62Å; F430-F439 AromaticContact CE1-CZ 3.93Å; F430-F439 HydrophobicContact CE1-CZ 3.93Å; F430-W463 HydrophobicContact CE1-CZ2 4.32Å; F430-W463 HydrophobicContact CE2-CH2 4.18Å; F430-W463 HydrophobicContact CE2-CZ2 4.01Å; F430-W463 HydrophobicContact CZ-CD2 4.38Å; F430-W463 AromaticContact CZ-CE2 3.6Å; F430-W463 AromaticContact CZ-CH2 3.9Å; F430-W463 HydrophobicContact CZ-CH2 3.9Å; F430-W463 AromaticContact CZ-CZ2 3.34Å; F430-W463 HydrophobicContact CZ-CZ2 3.34Å; F430-W463 AromaticContact CZ-NE1 3.91Å
431	M	96.5	Very high	97.2	Very high	26 Å²	26	35 Å²	35	13%	0.128	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.2	174.8	-171.7	-179.5	69	0	0	110.4	T289 L381 E383 E384 F435 F436	T289-M431 WeakPolarHBondContact CG2-O 3.48Å; L381-M431 HydrophobicContact CD1-CB 4.18Å; E383-M431 HydrophobicContact CB-CE 4.37Å; E383-M431 HydrophobicContact CB-SD 4.37Å; E383-M431 HydrophobicContact CG-CE 4.48Å; E383-M431 HydrophobicContact CG-SD 3.85Å; E384-M431 HydrophobicContact CB-CE 4.46Å; E384-M431 HydrophobicContact CG-CE 4.34Å; M431-F435 VanDerWaalsContact CA-O 3.31Å; M431-F435 WeakPolarHBondContact CA-O 3.28Å; M431-F435 WeakPolarHBondContact CG-O 2.98Å; M431-F436 HydrophobicContact CB-CD1 4.36Å; M431-F436 HydrophobicContact CG-CD1 4.01Å; M431-F436 HydrophobicContact CG-CE1 4.09Å; M431-F436 HydrophobicContact SD-CD1 4.38Å; M431-F436 HydrophobicContact SD-CE1 3.86Å
432	K	94.9	Very high	97.2	Very high	69 Å²	69	34.1 Å²	34.1	30%	0.3	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	136.7	169.9	-173.1	162	-178.4	164.2	0	110.1	V294 F430 G434 F435 Y437 W463	V294-K432 HydrophobicContact CG2-CD 4.24Å; F430-K432 HydrophobicContact CD2-CB 4.16Å; F430-K432 HydrophobicContact CE2-CB 3.81Å; F430-K432 HydrophobicContact CE2-CD 4.37Å; K432-G434 PolarHBondContact O-N 2.94Å; K432-G434 VanDerWaalsContact O-N 3.13Å; K432-F435 PolarHBondContact N-O 3.14Å; K432-F435 PolarHBondContact O-N 3.04Å; K432-Y437 HydrophobicContact CB-CD2 4.37Å; K432-Y437 HydrophobicContact CB-CE2 4.02Å; K432-W463 HydrophobicContact CD-CH2 4.11Å; K432-W463 HydrophobicContact CD-CZ3 4.33Å
433	D	93.8	Very high	97.3	Very high	127 Å²	127	40.8 Å²	40.8	68%	0.679	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	33.6	-178.3	-51	-41.8	0	0	0	113.6	F435	D433-F435 VanDerWaalsContact C-N 3.27Å; D433-F435 HydrophobicContact CB-CD2 4.22Å; D433-F435 HydrophobicContact CB-CE2 4.5Å; D433-F435 VanDerWaalsContact O-CD2 3.24Å; D433-F435 WeakPolarHBondContact O-CD2 3.3Å; D433-F435 WeakPolarHBondContact O-CE2 3.02Å; D433-F435 PolarHBondContact O-N 3.25Å
434	G	94.5	Very high	97.5	Very high	41 Å²	41	39.4 Å²	39.4	42%	0.423	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	5.7	-177.9	0	0	0	0	0	115.6	K432 P449	K432-G434 PolarHBondContact O-N 2.94Å; K432-G434 VanDerWaalsContact O-N 3.13Å; G434-P449 WeakPolarHBondContact O-CD 3.24Å; G434-P449 WeakPolarHBondContact O-CG 3.39Å
435	F	97.8	Very high	97.6	Very high	50 Å²	50	35.8 Å²	35.8	22%	0.219	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	146.9	175.6	-57.7	-73.5	0	0	0	111.4	M431 K432 D433 Y437 K446 D448 L455	M431-F435 VanDerWaalsContact CA-O 3.31Å; M431-F435 WeakPolarHBondContact CA-O 3.28Å; M431-F435 WeakPolarHBondContact CG-O 2.98Å; K432-F435 PolarHBondContact N-O 3.14Å; K432-F435 PolarHBondContact O-N 3.04Å; D433-F435 VanDerWaalsContact C-N 3.27Å; D433-F435 HydrophobicContact CB-CD2 4.22Å; D433-F435 HydrophobicContact CB-CE2 4.5Å; D433-F435 VanDerWaalsContact O-CD2 3.24Å; D433-F435 WeakPolarHBondContact O-CD2 3.3Å; D433-F435 WeakPolarHBondContact O-CE2 3.02Å; D433-F435 PolarHBondContact O-N 3.25Å; F435-Y437 HydrophobicContact CB-CD2 4.41Å; F435-Y437 HydrophobicContact CB-CE2 3.84Å; F435-K446 HydrophobicContact CB-CG 4.09Å; F435-K446 HydrophobicContact CG-CD 4.47Å; F435-K446 HydrophobicContact CG-CG 4.32Å; F435-D448 HydrophobicContact CD1-CB 4.05Å; F435-D448 HydrophobicContact CE1-CB 4.06Å; F435-L455 HydrophobicContact CD1-CD1 3.79Å; F435-L455 HydrophobicContact CE1-CD1 3.41Å; F435-L455 VanDerWaalsContact CE1-CD1 3.41Å; F435-L455 HydrophobicContact CZ-CD1 4.13Å
436	F	98.4	Very high	97.8	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.5	173.9	-70.2	17.9	0	0	0	108.1	L381 E383 Y390 F419 M431 F438 F447 P449	L381-F436 HydrophobicContact CD1-CE1 4.05Å; L381-F436 HydrophobicContact CD1-CE2 4.11Å; L381-F436 HydrophobicContact CD1-CZ 3.82Å; L381-F436 HydrophobicContact CD2-CD2 3.77Å; L381-F436 HydrophobicContact CD2-CE2 3.88Å; L381-F436 HydrophobicContact CD2-CG 4.19Å; L381-F436 HydrophobicContact CD2-CZ 4.39Å; E383-F436 HydrophobicContact CG-CE1 4.19Å; E383-F436 HydrophobicContact CG-CZ 4.05Å; Y390-F436 HydrophobicContact CE2-CZ 4.29Å; F419-F436 AromaticContact CE1-CD2 3.82Å; F419-F436 HydrophobicContact CE1-CD2 3.82Å; F419-F436 AromaticContact CE1-CE2 3.79Å; F419-F436 HydrophobicContact CE1-CE2 3.79Å; F419-F436 HydrophobicContact CZ-CE2 4.25Å; M431-F436 HydrophobicContact CB-CD1 4.36Å; M431-F436 HydrophobicContact CG-CD1 4.01Å; M431-F436 HydrophobicContact CG-CE1 4.09Å; M431-F436 HydrophobicContact SD-CD1 4.38Å; M431-F436 HydrophobicContact SD-CE1 3.86Å; F436-F438 HydrophobicContact CB-CD2 4.03Å; F436-F438 HydrophobicContact CB-CE2 3.54Å; F436-F438 HydrophobicContact CB-CZ 4.15Å; F436-F438 AromaticContact CD2-CE2 3.93Å; F436-F438 HydrophobicContact CD2-CE2 3.93Å; F436-F438 AromaticContact CD2-CZ 3.79Å; F436-F438 HydrophobicContact CD2-CZ 3.79Å; F436-F438 HydrophobicContact CG-CE2 4.27Å; F436-F447 HydrophobicContact CB-CB 4.35Å; F436-F447 HydrophobicContact CB-CD1 4.48Å; F436-F447 PolarHBondContact N-O 2.79Å; F436-F447 PolarHBondContact O-N 2.92Å; F436-P449 HydrophobicContact CD1-CG 4.32Å; F436-P449 HydrophobicContact CE1-CG 4.2Å
437	Y	98.6	Very high	97.8	Very high	18 Å²	18	33.6 Å²	33.6	7%	0.071	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	96.9	176.9	-70.4	-94	0	0	0	108.5	V429 F430 K432 F435 F439 Y445 K446 W463	V429-Y437 VanDerWaalsContact CA-O 3.31Å; V429-Y437 WeakPolarHBondContact CA-O 2.95Å; F430-Y437 HydrophobicContact CE1-CG 4.27Å; F430-Y437 HydrophobicContact CE2-CD2 4.01Å; F430-Y437 HydrophobicContact CE2-CG 4.32Å; F430-Y437 HydrophobicContact CZ-CD2 4.15Å; F430-Y437 AromaticContact CZ-CG 4Å; F430-Y437 HydrophobicContact CZ-CG 4Å; F430-Y437 PolarHBondContact N-O 3.3Å; F430-Y437 PolarHBondContact O-N 3.37Å; K432-Y437 HydrophobicContact CB-CD2 4.37Å; K432-Y437 HydrophobicContact CB-CE2 4.02Å; F435-Y437 HydrophobicContact CB-CD2 4.41Å; F435-Y437 HydrophobicContact CB-CE2 3.84Å; Y437-F439 WeakPolarHBondContact O-CD2 3.47Å; Y437-F439 VanDerWaalsContact O-CE2 3.3Å; Y437-F439 WeakPolarHBondContact O-CE2 3.25Å; Y437-Y445 WeakPolarHBondContact CA-O 3.38Å; Y437-K446 HydrophobicContact CD1-CB 4.16Å; Y437-K446 HydrophobicContact CD1-CG 4.26Å; Y437-K446 HydrophobicContact CE1-CB 3.94Å; Y437-K446 HydrophobicContact CE1-CD 3.83Å; Y437-K446 HydrophobicContact CE1-CG 3.72Å; Y437-K446 VanDerWaalsContact OH-CE 3.3Å; Y437-K446 WeakPolarHBondContact OH-CE 3.36Å; Y437-K446 PolarHBondContact OH-NZ 3.48Å; Y437-W463 AromaticContact CD1-CZ2 3.59Å; Y437-W463 HydrophobicContact CD1-CZ2 3.59Å; Y437-W463 HydrophobicContact CD2-CZ2 4.26Å; Y437-W463 HydrophobicContact CE1-CH2 4.18Å; Y437-W463 AromaticContact CE1-CZ2 3.45Å; Y437-W463 HydrophobicContact CE1-CZ2 3.45Å; Y437-W463 VanDerWaalsContact CE1-CZ2 3.45Å; Y437-W463 HydrophobicContact CE2-CH2 4.42Å; Y437-W463 HydrophobicContact CE2-CZ2 4.18Å; Y437-W463 AromaticContact CG-CZ2 3.97Å; Y437-W463 HydrophobicContact CG-CZ2 3.97Å; Y437-W463 AromaticContact CZ-CZ2 3.77Å
438	F	98.8	Very high	97.7	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	142.6	-179.8	-70.9	-81.4	0	0	0	111.5	F392 F419 I422 V426 V429 F436 Q444 Y445 F447	F392-F438 HydrophobicContact CD1-CE1 4.43Å; F392-F438 AromaticContact CE1-CE1 3.69Å; F392-F438 HydrophobicContact CE1-CE1 3.69Å; F392-F438 HydrophobicContact CE1-CZ 4.16Å; F392-F438 HydrophobicContact CE2-CE1 4.1Å; F392-F438 AromaticContact CZ-CE1 3.5Å; F392-F438 HydrophobicContact CZ-CE1 3.5Å; F392-F438 AromaticContact CZ-CZ 3.86Å; F392-F438 HydrophobicContact CZ-CZ 3.86Å; F419-F438 AromaticContact CD1-CE2 3.85Å; F419-F438 HydrophobicContact CD1-CE2 3.85Å; F419-F438 AromaticContact CD1-CZ 3.6Å; F419-F438 HydrophobicContact CD1-CZ 3.6Å; F419-F438 HydrophobicContact CE1-CE2 4.39Å; F419-F438 AromaticContact CE1-CZ 3.9Å; F419-F438 HydrophobicContact CE1-CZ 3.9Å; F419-F438 HydrophobicContact CG-CE2 4.42Å; F419-F438 AromaticContact CG-CZ 4Å; F419-F438 HydrophobicContact CG-CZ 4Å; I422-F438 HydrophobicContact CD1-CB 4.34Å; I422-F438 HydrophobicContact CD1-CD1 3.57Å; I422-F438 HydrophobicContact CD1-CD2 3.83Å; I422-F438 HydrophobicContact CD1-CE1 3.63Å; I422-F438 HydrophobicContact CD1-CE2 3.88Å; I422-F438 HydrophobicContact CD1-CG 3.65Å; I422-F438 HydrophobicContact CD1-CZ 3.77Å; I422-F438 HydrophobicContact CG2-CD2 4.06Å; I422-F438 HydrophobicContact CG2-CG 4.42Å; V426-F438 HydrophobicContact CG1-CD1 3.77Å; V426-F438 HydrophobicContact CG1-CE1 4.43Å; V426-F438 HydrophobicContact CG2-CD1 3.91Å; V426-F438 HydrophobicContact CG2-CE1 4.21Å; V429-F438 HydrophobicContact CB-CD1 3.86Å; V429-F438 HydrophobicContact CB-CE1 4.14Å; V429-F438 HydrophobicContact CG2-CD1 3.47Å; V429-F438 VanDerWaalsContact CG2-CD1 3.47Å; V429-F438 HydrophobicContact CG2-CD2 4.44Å; V429-F438 HydrophobicContact CG2-CE1 3.57Å; V429-F438 HydrophobicContact CG2-CG 3.95Å; V429-F438 HydrophobicContact CG2-CZ 4.13Å; F436-F438 HydrophobicContact CB-CD2 4.03Å; F436-F438 HydrophobicContact CB-CE2 3.54Å; F436-F438 HydrophobicContact CB-CZ 4.15Å; F436-F438 AromaticContact CD2-CE2 3.93Å; F436-F438 HydrophobicContact CD2-CE2 3.93Å; F436-F438 AromaticContact CD2-CZ 3.79Å; F436-F438 HydrophobicContact CD2-CZ 3.79Å; F436-F438 HydrophobicContact CG-CE2 4.27Å; F438-Q444 CarbonylContact O-C 3.53Å; F438-Q444 VanDerWaalsContact O-CA 3.29Å; F438-Q444 WeakPolarHBondContact O-CA 3.27Å; F438-Y445 HydrophobicContact CB-CD2 4.4Å; F438-Y445 PolarHBondContact N-O 2.95Å; F438-Y445 PolarHBondContact O-N 3.17Å; F438-F447 HydrophobicContact CD2-CB 3.85Å; F438-F447 HydrophobicContact CD2-CG 4.45Å; F438-F447 HydrophobicContact CE2-CB 3.9Å; F438-F447 HydrophobicContact CE2-CD1 4.14Å; F438-F447 HydrophobicContact CE2-CG 4.1Å
439	F	98.8	Very high	97.6	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.2	176.7	-63.8	-102.7	0	0	0	109.8	F284 I287 F296 D427 A428 F430 Y437 R443 Q444 A460 W463	F284-F439 AromaticContact CD2-CD1 3.98Å; F284-F439 HydrophobicContact CD2-CD1 3.98Å; F284-F439 HydrophobicContact CD2-CE1 4.29Å; F284-F439 HydrophobicContact CE2-CD1 4.2Å; F284-F439 HydrophobicContact CE2-CE1 4.14Å; I287-F439 HydrophobicContact CD1-CB 4.48Å; I287-F439 HydrophobicContact CD1-CD1 3.95Å; I287-F439 HydrophobicContact CD1-CD2 3.36Å; I287-F439 HydrophobicContact CD1-CE1 3.95Å; I287-F439 HydrophobicContact CD1-CE2 3.39Å; I287-F439 HydrophobicContact CD1-CG 3.66Å; I287-F439 HydrophobicContact CD1-CZ 3.68Å; F296-F439 HydrophobicContact CE1-CE1 4.41Å; F296-F439 HydrophobicContact CE1-CZ 4.11Å; D427-F439 PolarHBondContact N-O 3.22Å; A428-F439 HydrophobicContact CB-CB 4.23Å; A428-F439 PolarHBondContact N-O 3.42Å; A428-F439 PolarHBondContact O-N 3.27Å; F430-F439 AromaticContact CD1-CE2 3.92Å; F430-F439 HydrophobicContact CD1-CE2 3.92Å; F430-F439 AromaticContact CE1-CE2 3.62Å; F430-F439 HydrophobicContact CE1-CE2 3.62Å; F430-F439 AromaticContact CE1-CZ 3.93Å; F430-F439 HydrophobicContact CE1-CZ 3.93Å; Y437-F439 WeakPolarHBondContact O-CD2 3.47Å; Y437-F439 VanDerWaalsContact O-CE2 3.3Å; Y437-F439 WeakPolarHBondContact O-CE2 3.25Å; F439-R443 WeakPolarHBondContact CA-O 3.23Å; F439-Q444 HydrophobicContact CD1-CB 4.04Å; F439-Q444 HydrophobicContact CD1-CG 4.24Å; F439-Q444 HydrophobicContact CE1-CB 3.82Å; F439-Q444 HydrophobicContact CE1-CG 3.71Å; F439-Q444 HydrophobicContact CE2-CG 4.25Å; F439-Q444 HydrophobicContact CZ-CB 4.35Å; F439-Q444 HydrophobicContact CZ-CG 3.71Å; F439-A460 HydrophobicContact CD1-CB 3.99Å; F439-A460 HydrophobicContact CE1-CB 4.41Å; F439-A460 WeakPolarHBondContact CE1-O 3.44Å; F439-W463 AromaticContact CZ-NE1 3.86Å
440	H	98.3	Very high	97.5	Very high	64 Å²	64	44.5 Å²	44.5	30%	0.296	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	112.7	173	176.6	-163.2	0	0	0	109.3	K425 D427 T442 R443 Y445	K425-H440 PolarHBondContact O-ND1 3.41Å; D427-H440 IonicContact OD1-CD2 3.11Å; D427-H440 IonicContact OD2-CD2 2.81Å; H440-T442 PolarHBondContact O-N 3.49Å; H440-R443 PolarHBondContact N-O 2.81Å; H440-R443 WeakPolarHBondContact O-CB 3.31Å; H440-R443 PolarHBondContact O-N 2.94Å; H440-Y445 HydrophobicContact CB-CE2 4.43Å
441	G	97.7	Very high	97.4	Very high	24 Å²	24	47.8 Å²	47.8	25%	0.247	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-130.2	-166.3	0	0	0	0	0	110.3	D427 R443	D427-G441 PolarHBondContact OD2-N 3.46Å; G441-R443 PolarHBondContact O-N 3.02Å
442	T	97.9	Very high	97.4	Very high	41 Å²	41	51.2 Å²	51.2	25%	0.252	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	8.5	-178.2	64.6	0	0	0	0	113.6	S280 T283 H440 K459 A460	S280-T442 WeakPolarHBondContact O-CG2 3.37Å; T283-T442 HydrophobicContact CG2-CG2 4.35Å; H440-T442 PolarHBondContact O-N 3.49Å; T442-K459 CarbonylContact O-C 3Å; T442-K459 VanDerWaalsContact O-CA 3.31Å; T442-K459 WeakPolarHBondContact O-CA 3.4Å; T442-K459 WeakPolarHBondContact O-CD 3.44Å; T442-K459 PolarHBondContact OG1-NZ 3.23Å; T442-A460 PolarHBondContact O-N 2.94Å
443	R	98.3	Very high	97.6	Very high	142 Å²	142	56.4 Å²	56.4	54%	0.536	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.5	-173.7	-62.6	175.2	-176.6	158.2	-0.6	110.8	F439 H440 G441 Y445 L457	F439-R443 WeakPolarHBondContact CA-O 3.23Å; H440-R443 PolarHBondContact N-O 2.81Å; H440-R443 WeakPolarHBondContact O-CB 3.31Å; H440-R443 PolarHBondContact O-N 2.94Å; G441-R443 PolarHBondContact O-N 3.02Å; R443-Y445 HydrophobicContact CB-CE2 3.71Å; R443-Y445 VanDerWaalsContact CD-OH 3.25Å; R443-Y445 WeakPolarHBondContact CD-OH 3.46Å; R443-L457 HydrophobicContact CB-CD1 4.06Å; R443-L457 HydrophobicContact CG-CD1 4.47Å
444	Q	98.6	Very high	97.8	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.8	171.8	176.5	-160.2	-98.9	0	0	110	F438 F439 L457 Q458 S462	F438-Q444 CarbonylContact O-C 3.53Å; F438-Q444 VanDerWaalsContact O-CA 3.29Å; F438-Q444 WeakPolarHBondContact O-CA 3.27Å; F439-Q444 HydrophobicContact CD1-CB 4.04Å; F439-Q444 HydrophobicContact CD1-CG 4.24Å; F439-Q444 HydrophobicContact CE1-CB 3.82Å; F439-Q444 HydrophobicContact CE1-CG 3.71Å; F439-Q444 HydrophobicContact CE2-CG 4.25Å; F439-Q444 HydrophobicContact CZ-CB 4.35Å; F439-Q444 HydrophobicContact CZ-CG 3.71Å; Q444-L457 WeakPolarHBondContact O-CA 3.32Å; Q444-L457 WeakPolarHBondContact O-CD1 3.34Å; Q444-Q458 PolarHBondContact N-O 2.95Å; Q444-Q458 PolarHBondContact O-N 3.07Å; Q444-S462 PolarHBondContact NE2-OG 2.87Å; Q444-S462 PolarHBondContact OE1-OG 2.79Å
445	Y	98.6	Very high	97.9	Very high	18 Å²	18	55.3 Å²	55.3	7%	0.071	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118	177.8	-51.4	-99.7	0	0	0	109.6	I422 Y437 F438 H440 R443 F447 I454 L457	I422-Y445 HydrophobicContact CB-CD2 4.49Å; I422-Y445 HydrophobicContact CB-CG 4.39Å; I422-Y445 HydrophobicContact CG2-CD1 4.4Å; I422-Y445 HydrophobicContact CG2-CG 4.14Å; Y437-Y445 WeakPolarHBondContact CA-O 3.38Å; F438-Y445 HydrophobicContact CB-CD2 4.4Å; F438-Y445 PolarHBondContact N-O 2.95Å; F438-Y445 PolarHBondContact O-N 3.17Å; H440-Y445 HydrophobicContact CB-CE2 4.43Å; R443-Y445 HydrophobicContact CB-CE2 3.71Å; R443-Y445 VanDerWaalsContact CD-OH 3.25Å; R443-Y445 WeakPolarHBondContact CD-OH 3.46Å; Y445-F447 PolarHBondContact O-N 3.03Å; Y445-I454 HydrophobicContact CD1-CD1 3.87Å; Y445-I454 HydrophobicContact CD1-CG1 4.48Å; Y445-I454 HydrophobicContact CD1-CG2 4.39Å; Y445-I454 HydrophobicContact CE1-CD1 4.47Å; Y445-L457 HydrophobicContact CD1-CD1 3.74Å; Y445-L457 HydrophobicContact CE1-CD1 3.57Å; Y445-L457 HydrophobicContact CE2-CD1 4.43Å; Y445-L457 HydrophobicContact CG-CD1 4.27Å
446	K	98.6	Very high	98	Very high	45 Å²	45	55.4 Å²	55.4	20%	0.196	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	111.6	165.6	-176	177.6	-179.9	169.7	0	108.2	F435 Y437 I454 L455 T456	F435-K446 HydrophobicContact CB-CG 4.09Å; F435-K446 HydrophobicContact CG-CD 4.47Å; F435-K446 HydrophobicContact CG-CG 4.32Å; Y437-K446 HydrophobicContact CD1-CB 4.16Å; Y437-K446 HydrophobicContact CD1-CG 4.26Å; Y437-K446 HydrophobicContact CE1-CB 3.94Å; Y437-K446 HydrophobicContact CE1-CD 3.83Å; Y437-K446 HydrophobicContact CE1-CG 3.72Å; Y437-K446 VanDerWaalsContact OH-CE 3.3Å; Y437-K446 WeakPolarHBondContact OH-CE 3.36Å; Y437-K446 PolarHBondContact OH-NZ 3.48Å; K446-I454 CarbonylContact O-C 3.59Å; K446-I454 WeakPolarHBondContact O-CA 3.5Å; K446-L455 HydrophobicContact CD-CB 4.44Å; K446-L455 HydrophobicContact CD-CD1 4.45Å; K446-L455 HydrophobicContact CG-CB 4.39Å; K446-L455 PolarHBondContact O-N 3.38Å; K446-T456 WeakPolarHBondContact CB-OG1 3.48Å; K446-T456 PolarHBondContact N-O 2.85Å
447	F	98.7	Very high	97.9	Very high	1 Å²	1	60.3 Å²	60.3	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.1	-176.1	-178	-92.9	0	0	0	111	F419 P420 I422 F436 F438 Y445 P449 K452 I454	F419-F447 HydrophobicContact CB-CE2 4.45Å; F419-F447 HydrophobicContact CB-CZ 4.3Å; F419-F447 AromaticContact CD1-CD1 4Å; F419-F447 HydrophobicContact CD1-CD1 4Å; F419-F447 AromaticContact CD1-CE1 3.55Å; F419-F447 HydrophobicContact CD1-CE1 3.55Å; F419-F447 AromaticContact CD1-CZ 3.95Å; F419-F447 HydrophobicContact CD1-CZ 3.95Å; F419-F447 HydrophobicContact CE1-CE1 4.18Å; P420-F447 HydrophobicContact CG-CE2 4.48Å; I422-F447 HydrophobicContact CG2-CD2 4.36Å; F436-F447 HydrophobicContact CB-CB 4.35Å; F436-F447 HydrophobicContact CB-CD1 4.48Å; F436-F447 PolarHBondContact N-O 2.79Å; F436-F447 PolarHBondContact O-N 2.92Å; F438-F447 HydrophobicContact CD2-CB 3.85Å; F438-F447 HydrophobicContact CD2-CG 4.45Å; F438-F447 HydrophobicContact CE2-CB 3.9Å; F438-F447 HydrophobicContact CE2-CD1 4.14Å; F438-F447 HydrophobicContact CE2-CG 4.1Å; Y445-F447 PolarHBondContact O-N 3.03Å; F447-P449 HydrophobicContact CE1-CB 4.4Å; F447-P449 WeakPolarHBondContact O-CD 3.3Å; F447-K452 HydrophobicContact CZ-CB 4.13Å; F447-I454 HydrophobicContact CD2-CG1 4.22Å
448	D	98.1	Very high	97.9	Very high	22 Å²	22	64.1 Å²	64.1	12%	0.118	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	110.9	173.3	175.9	5.9	0	0	0	110.2	F435 K450 T451 K452 R453 L455	F435-D448 HydrophobicContact CD1-CB 4.05Å; F435-D448 HydrophobicContact CE1-CB 4.06Å; D448-K450 PolarHBondContact O-N 3.26Å; D448-K450 WeakPolarHBondContact OD1-CB 3.49Å; D448-K450 PolarHBondContact OD1-N 3.07Å; D448-T451 WeakPolarHBondContact CB-OG1 3.49Å; D448-T451 VanDerWaalsContact CG-OG1 3.23Å; D448-T451 WeakPolarHBondContact OD2-CB 3.31Å; D448-T451 VanDerWaalsContact OD2-CG2 3.27Å; D448-T451 WeakPolarHBondContact OD2-CG2 3.5Å; D448-T451 PolarHBondContact OD2-OG1 3.01Å; D448-K452 VanDerWaalsContact O-CA 3.29Å; D448-K452 WeakPolarHBondContact O-CA 3.39Å; D448-K452 PolarHBondContact O-N 3.28Å; D448-R453 PolarHBondContact N-O 3.13Å; D448-R453 PolarHBondContact O-N 3.37Å; D448-L455 HydrophobicContact CB-CD1 4.07Å; D448-L455 HydrophobicContact CB-CD2 4.38Å; D448-L455 HydrophobicContact CB-CG 4.16Å
449	P	95.9	Very high	97.8	Very high	45 Å²	45	68.4 Å²	68.4	29%	0.292	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.8	-179.4	28.3	-34.6	0	0	0	113.6	G434 F436 F447	G434-P449 WeakPolarHBondContact O-CD 3.24Å; G434-P449 WeakPolarHBondContact O-CG 3.39Å; F436-P449 HydrophobicContact CD1-CG 4.32Å; F436-P449 HydrophobicContact CE1-CG 4.2Å; F447-P449 HydrophobicContact CE1-CB 4.4Å; F447-P449 WeakPolarHBondContact O-CD 3.3Å
450	K	95.6	Very high	97.8	Very high	191 Å²	191	68.3 Å²	68.3	83%	0.83	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-45.5	179.8	-61.3	178.7	-178.3	176.3	0	111.6	D448	D448-K450 PolarHBondContact O-N 3.26Å; D448-K450 WeakPolarHBondContact OD1-CB 3.49Å; D448-K450 PolarHBondContact OD1-N 3.07Å
451	T	97.2	Very high	97.7	Very high	73 Å²	73	66.1 Å²	66.1	45%	0.448	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-9.7	-179.2	61.1	0	0	0	0	113.4	D448 R453	D448-T451 WeakPolarHBondContact CB-OG1 3.49Å; D448-T451 VanDerWaalsContact CG-OG1 3.23Å; D448-T451 WeakPolarHBondContact OD2-CB 3.31Å; D448-T451 VanDerWaalsContact OD2-CG2 3.27Å; D448-T451 WeakPolarHBondContact OD2-CG2 3.5Å; D448-T451 PolarHBondContact OD2-OG1 3.01Å; T451-R453 VanDerWaalsContact C-N 3.3Å; T451-R453 PolarHBondContact O-N 3.02Å
452	K	97.3	Very high	97.5	Very high	97 Å²	97	67.2 Å²	67.2	42%	0.422	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	43.2	-173.1	-60.2	-168.4	174.4	-163.2	0	112.7	D418 P420 F447 D448	D418-K452 IonicContact OD1-NZ 3.17Å; D418-K452 PolarHBondContact OD1-NZ 3.31Å; P420-K452 HydrophobicContact CG-CB 4.36Å; P420-K452 WeakPolarHBondContact CG-O 3.42Å; F447-K452 HydrophobicContact CZ-CB 4.13Å; D448-K452 VanDerWaalsContact O-CA 3.29Å; D448-K452 WeakPolarHBondContact O-CA 3.39Å; D448-K452 PolarHBondContact O-N 3.28Å
453	R	97.2	Very high	97.4	Very high	178 Å²	178	68.4 Å²	68.4	67%	0.672	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.1	-177.9	-69.4	-179.3	-177.2	-168.9	0.4	112.1	D448 T451	D448-R453 PolarHBondContact N-O 3.13Å; D448-R453 PolarHBondContact O-N 3.37Å; T451-R453 VanDerWaalsContact C-N 3.3Å; T451-R453 PolarHBondContact O-N 3.02Å
454	I	98.3	Very high	97.1	Very high	60 Å²	60	62.2 Å²	62.2	31%	0.308	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.9	167.5	-63.3	163	0	0	0	108	G421 I422 Y445 K446 F447 T456	G421-I454 VanDerWaalsContact C-CD1 3.41Å; G421-I454 WeakPolarHBondContact O-CD1 3.44Å; I422-I454 HydrophobicContact CG2-CD1 4.21Å; I422-I454 HydrophobicContact CG2-CG1 4.28Å; Y445-I454 HydrophobicContact CD1-CD1 3.87Å; Y445-I454 HydrophobicContact CD1-CG1 4.48Å; Y445-I454 HydrophobicContact CD1-CG2 4.39Å; Y445-I454 HydrophobicContact CE1-CD1 4.47Å; K446-I454 CarbonylContact O-C 3.59Å; K446-I454 WeakPolarHBondContact O-CA 3.5Å; F447-I454 HydrophobicContact CD2-CG1 4.22Å; I454-T456 WeakPolarHBondContact CG2-O 3.29Å
455	L	98.2	Very high	96.6	Very high	86 Å²	86	67.2 Å²	67.2	45%	0.45	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-39.4	178.6	-59.7	-175.9	0	0	0	111.9	F435 K446 D448	F435-L455 HydrophobicContact CD1-CD1 3.79Å; F435-L455 HydrophobicContact CE1-CD1 3.41Å; F435-L455 VanDerWaalsContact CE1-CD1 3.41Å; F435-L455 HydrophobicContact CZ-CD1 4.13Å; K446-L455 HydrophobicContact CD-CB 4.44Å; K446-L455 HydrophobicContact CD-CD1 4.45Å; K446-L455 HydrophobicContact CG-CB 4.39Å; K446-L455 PolarHBondContact O-N 3.38Å; D448-L455 HydrophobicContact CB-CD1 4.07Å; D448-L455 HydrophobicContact CB-CD2 4.38Å; D448-L455 HydrophobicContact CB-CG 4.16Å
456	T	98.1	Very high	96	Very high	51 Å²	51	68.1 Å²	68.1	31%	0.313	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149.7	177.7	65.6	0	0	0	0	111.2	K446 I454	K446-T456 WeakPolarHBondContact CB-OG1 3.48Å; K446-T456 PolarHBondContact N-O 2.85Å; I454-T456 WeakPolarHBondContact CG2-O 3.29Å
457	L	97.9	Very high	94.6	Very high	106 Å²	106	75.6 Å²	75.6	56%	0.555	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.5	170.6	175.1	57.8	0	0	0	108.2	R443 Q444 Y445	R443-L457 HydrophobicContact CB-CD1 4.06Å; R443-L457 HydrophobicContact CG-CD1 4.47Å; Q444-L457 WeakPolarHBondContact O-CA 3.32Å; Q444-L457 WeakPolarHBondContact O-CD1 3.34Å; Y445-L457 HydrophobicContact CD1-CD1 3.74Å; Y445-L457 HydrophobicContact CE1-CD1 3.57Å; Y445-L457 HydrophobicContact CE2-CD1 4.43Å; Y445-L457 HydrophobicContact CG-CD1 4.27Å
458	Q	97.8	Very high	92.4	Very high	97 Å²	97	85.4 Å²	85.4	45%	0.453	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	178	-175.9	-66.6	177.2	-38.8	0	0	110.6	Q444 S462	Q444-Q458 PolarHBondContact N-O 2.95Å; Q444-Q458 PolarHBondContact O-N 3.07Å; Q458-S462 PolarHBondContact OE1-OG 2.92Å
459	K	97.4	Very high	89.5	Confident	92 Å²	92	95.1 Å²	95.1	40%	0.4	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	150.4	169.3	-74.1	-66.4	-167.1	161.1	0	110.9	S280 T442 N461 S462	S280-K459 PolarHBondContact O-NZ 3.01Å; S280-K459 VanDerWaalsContact O-NZ 3.17Å; T442-K459 CarbonylContact O-C 3Å; T442-K459 VanDerWaalsContact O-CA 3.31Å; T442-K459 WeakPolarHBondContact O-CA 3.4Å; T442-K459 WeakPolarHBondContact O-CD 3.44Å; T442-K459 PolarHBondContact OG1-NZ 3.23Å; K459-N461 WeakPolarHBondContact CB-OD1 3.47Å; K459-N461 PolarHBondContact O-N 3.17Å; K459-S462 VanDerWaalsContact O-CB 3.23Å; K459-S462 WeakPolarHBondContact O-CB 3.35Å; K459-S462 PolarHBondContact O-N 3.33Å; K459-S462 PolarHBondContact O-OG 2.88Å; K459-S462 VanDerWaalsContact O-OG 3.07Å
460	A	97.4	Very high	89.2	Confident	1 Å²	1	97.6 Å²	97.6	1%	0.008	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-55.3	-37	178.8	0	0	0	0	0	112.4	F284 F439 T442 S462	F284-A460 HydrophobicContact CD2-CB 4.3Å; F284-A460 HydrophobicContact CE2-CB 3.9Å; F284-A460 WeakPolarHBondContact CE2-O 3.44Å; F439-A460 HydrophobicContact CD1-CB 3.99Å; F439-A460 HydrophobicContact CE1-CB 4.41Å; F439-A460 WeakPolarHBondContact CE1-O 3.44Å; T442-A460 PolarHBondContact O-N 2.94Å; A460-S462 PolarHBondContact O-N 3.09Å
461	N	96.1	Very high	88.8	Confident	17 Å²	17	92.7 Å²	92.7	9%	0.091	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-81.8	12.2	178.9	69.6	-20.7	0	0	0	114.9	V277 D279 L282 K459 W463 F464	V277-N461 WeakPolarHBondContact O-CB 3.27Å; V277-N461 PolarHBondContact O-ND2 3.44Å; D279-N461 PolarHBondContact O-ND2 3.46Å; L282-N461 HydrophobicContact CD2-CB 4.06Å; K459-N461 WeakPolarHBondContact CB-OD1 3.47Å; K459-N461 PolarHBondContact O-N 3.17Å; N461-W463 PolarHBondContact O-N 3.22Å; N461-W463 VanDerWaalsContact O-N 3.1Å; N461-F464 HydrophobicContact CB-CD2 3.97Å; N461-F464 HydrophobicContact CB-CE2 4.47Å; N461-F464 PolarHBondContact O-N 3.16Å; N461-F464 VanDerWaalsContact O-N 3.08Å
462	S	95.4	Very high	88.4	Confident	48 Å²	48	93.8 Å²	93.8	34%	0.336	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-66.2	-13.1	-175.6	64.4	0	0	0	0	115.2	Q444 Q458 K459 A460 F464	Q444-S462 PolarHBondContact NE2-OG 2.87Å; Q444-S462 PolarHBondContact OE1-OG 2.79Å; Q458-S462 PolarHBondContact OE1-OG 2.92Å; K459-S462 VanDerWaalsContact O-CB 3.23Å; K459-S462 WeakPolarHBondContact O-CB 3.35Å; K459-S462 PolarHBondContact O-N 3.33Å; K459-S462 PolarHBondContact O-OG 2.88Å; K459-S462 VanDerWaalsContact O-OG 3.07Å; A460-S462 PolarHBondContact O-N 3.09Å; S462-F464 VanDerWaalsContact C-N 3.31Å
463	W	94.1	Very high	87.9	Confident	65 Å²	65	93.6 Å²	93.6	25%	0.246	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-77.7	-17	174.4	-72.8	88.7	0	0	0	113.3	F296 F430 K432 Y437 F439 N461	F296-W463 HydrophobicContact CE1-CB 4.48Å; F296-W463 AromaticContact CE1-CD1 4Å; F296-W463 HydrophobicContact CE1-CG 4.3Å; F296-W463 HydrophobicContact CE2-CB 4.29Å; F296-W463 HydrophobicContact CZ-CB 3.7Å; F296-W463 AromaticContact CZ-CD1 3.74Å; F296-W463 HydrophobicContact CZ-CD2 4.26Å; F296-W463 AromaticContact CZ-CG 3.62Å; F296-W463 HydrophobicContact CZ-CG 3.62Å; F430-W463 HydrophobicContact CE1-CZ2 4.32Å; F430-W463 HydrophobicContact CE2-CH2 4.18Å; F430-W463 HydrophobicContact CE2-CZ2 4.01Å; F430-W463 HydrophobicContact CZ-CD2 4.38Å; F430-W463 AromaticContact CZ-CE2 3.6Å; F430-W463 AromaticContact CZ-CH2 3.9Å; F430-W463 HydrophobicContact CZ-CH2 3.9Å; F430-W463 AromaticContact CZ-CZ2 3.34Å; F430-W463 HydrophobicContact CZ-CZ2 3.34Å; F430-W463 AromaticContact CZ-NE1 3.91Å; K432-W463 HydrophobicContact CD-CH2 4.11Å; K432-W463 HydrophobicContact CD-CZ3 4.33Å; Y437-W463 AromaticContact CD1-CZ2 3.59Å; Y437-W463 HydrophobicContact CD1-CZ2 3.59Å; Y437-W463 HydrophobicContact CD2-CZ2 4.26Å; Y437-W463 HydrophobicContact CE1-CH2 4.18Å; Y437-W463 AromaticContact CE1-CZ2 3.45Å; Y437-W463 HydrophobicContact CE1-CZ2 3.45Å; Y437-W463 VanDerWaalsContact CE1-CZ2 3.45Å; Y437-W463 HydrophobicContact CE2-CH2 4.42Å; Y437-W463 HydrophobicContact CE2-CZ2 4.18Å; Y437-W463 AromaticContact CG-CZ2 3.97Å; Y437-W463 HydrophobicContact CG-CZ2 3.97Å; Y437-W463 AromaticContact CZ-CZ2 3.77Å; F439-W463 AromaticContact CZ-NE1 3.86Å; N461-W463 PolarHBondContact O-N 3.22Å; N461-W463 VanDerWaalsContact O-N 3.1Å
464	F	93.3	Very high	87.3	Confident	13 Å²	13	88.3 Å²	88.3	6%	0.057	43%	0.431	C	S	.	.	S	Bend	trans	-95.2	152.4	-176.4	-50.7	-38.4	0	0	0	111	V277 L282 F284 F296 M303 T305 V312 N461 S462 C466	V277-F464 HydrophobicContact CG1-CB 3.87Å; V277-F464 HydrophobicContact CG1-CD2 3.37Å; V277-F464 HydrophobicContact CG1-CE2 4.02Å; V277-F464 HydrophobicContact CG1-CG 3.74Å; L282-F464 HydrophobicContact CD2-CD2 4.41Å; L282-F464 HydrophobicContact CD2-CE2 3.86Å; F284-F464 HydrophobicContact CE1-CE2 4.06Å; F284-F464 HydrophobicContact CE1-CZ 4.12Å; F284-F464 AromaticContact CZ-CE2 3.67Å; F284-F464 HydrophobicContact CZ-CE2 3.67Å; F284-F464 AromaticContact CZ-CZ 3.88Å; F284-F464 HydrophobicContact CZ-CZ 3.88Å; F296-F464 HydrophobicContact CB-CZ 4.23Å; F296-F464 HydrophobicContact CD1-CZ 4.16Å; F296-F464 AromaticContact CD2-CE1 3.66Å; F296-F464 HydrophobicContact CD2-CE1 3.66Å; F296-F464 AromaticContact CD2-CZ 3.73Å; F296-F464 HydrophobicContact CD2-CZ 3.73Å; F296-F464 AromaticContact CE2-CE1 3.71Å; F296-F464 HydrophobicContact CE2-CE1 3.71Å; F296-F464 HydrophobicContact CE2-CZ 4.12Å; F296-F464 HydrophobicContact CG-CE1 4.2Å; F296-F464 AromaticContact CG-CZ 3.79Å; F296-F464 HydrophobicContact CG-CZ 3.79Å; F296-F464 HydrophobicContact CZ-CE1 4.27Å; F296-F464 HydrophobicContact CZ-CZ 4.5Å; M303-F464 HydrophobicContact CB-CE1 4.47Å; M303-F464 HydrophobicContact CB-CZ 3.98Å; M303-F464 HydrophobicContact SD-CE2 4.28Å; M303-F464 HydrophobicContact SD-CZ 4.41Å; T305-F464 HydrophobicContact CG2-CD1 4.44Å; V312-F464 HydrophobicContact CB-CD1 4.2Å; V312-F464 HydrophobicContact CB-CG 4.42Å; V312-F464 HydrophobicContact CG2-CD1 3.61Å; V312-F464 HydrophobicContact CG2-CE1 3.65Å; V312-F464 HydrophobicContact CG2-CG 4.27Å; V312-F464 HydrophobicContact CG2-CZ 4.3Å; N461-F464 HydrophobicContact CB-CD2 3.97Å; N461-F464 HydrophobicContact CB-CE2 4.47Å; N461-F464 PolarHBondContact O-N 3.16Å; N461-F464 VanDerWaalsContact O-N 3.08Å; S462-F464 VanDerWaalsContact C-N 3.31Å; F464-C466 PolarHBondContact O-N 2.88Å
465	N	87	Confident	86.5	Confident	105 Å²	105	90.2 Å²	90.2	56%	0.561	44%	0.44	S	S	*	.			trans	-81.2	60.6	-177.8	-172.8	30	0	0	0	111.8	Q310 R467	Q310-N465 PolarHBondContact O-ND2 2.98Å; N465-R467 PolarHBondContact O-N 3.29Å
466	C	86.8	Confident	85.7	Confident	38 Å²	38	90.5 Å²	90.5	26%	0.257	44%	0.439	S	S	.	.			trans	-78.4	105.3	176.7	-63	0	0	0	0	109.5	C278 F464 K468	C278-C466 WeakPolarHBondContact CA-SG 3.45Å; C278-C466 HydrophobicContact CB-CB 3.73Å; C278-C466 WeakPolarHBondContact CB-SG 3.18Å; C278-C466 WeakPolarHBondContact SG-CA 3.22Å; C278-C466 WeakPolarHBondContact SG-CB 3.48Å; C278-C466 CovalentContact SG-SG 2.04Å; C278-C466 PolarHBondContact SG-SG 3.23Å; F464-C466 PolarHBondContact O-N 2.88Å; C466-K468 PolarHBondContact O-N 2.69Å
467	R	69.8	Low	84.8	Confident	201 Å²	201	93.5 Å²	93.5	76%	0.758	45%	0.449	S	S	*	.			trans	-59.1	133	171.5	-67.2	-176.1	-178.6	177.7	2.8	108.2	N465 N469	N465-R467 PolarHBondContact O-N 3.29Å; R467-N469 PolarHBondContact O-N 3.36Å
468	K	52.3	Low	83.7	Confident	208 Å²	208	92.5 Å²	92.5	90%	0.904	44%	0.44	S	S	*	.			trans	-67.7	101.9	166.9	-69.6	-177.7	179.6	179.6	0	106.5	C466	C466-K468 PolarHBondContact O-N 2.69Å
469	N	36.7	Very low	82.4	Confident	225 Å²	225	92.1 Å²	92.1	100%	1.203	44%	0.438	S	S	*	.			trans	-70.7	0	161.6	-77.3	-8.2	0	0	0	109.6	R467	R467-N469 PolarHBondContact O-N 3.36Å

Retrieved 469 of 469 residues in 117.4 ms (Link to these results)

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