A0A087Y2F5_POEFO Loading...

Kelch-like protein 36

Probable substrate-specific adapter of an E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins.

AlphaFold DB , UniProt , Accession A0A087Y2F5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 619 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	V	37.8	Very low	46.3	Very low	179 Å²	179	152.5 Å²	152.5	100%	1.085	84%	0.843	S	S	*	*				0	114.3	0	172.8	0	0	0	0	107
2	M	40.5	Very low	46.6	Very low	159 Å²	159	149 Å²	149	78%	0.783	84%	0.835	S	S	*	*			trans	60.3	136.6	153.4	-59.1	-165.7	-47.8	0	0	118.1
3	D	40.8	Very low	47.4	Very low	148 Å²	148	157.2 Å²	157.2	79%	0.791	85%	0.845	S	S	*	*			cis	-155.3	143.7	4.5	-99	-27.3	0	0	0	107.2
4	G	46	Very low	48.2	Very low	73 Å²	73	155 Å²	155	75%	0.753	84%	0.839	S	S	*	*			trans	-110.9	143	169.6	0	0	0	0	0	110
5	P	53.7	Low	49	Very low	125 Å²	125	151.1 Å²	151.1	81%	0.812	83%	0.828	S	S	*	*			trans	-99.9	129.3	170.7	30	-18.3	0	0	0	112.3
6	D	48.3	Very low	49.8	Very low	159 Å²	159	154 Å²	154	85%	0.85	83%	0.834	S	S	*	*			trans	-11.2	121.9	158.5	-69.9	-42.8	0	0	0	118.4
7	H	52.1	Low	50.3	Low	183 Å²	183	150.5 Å²	150.5	85%	0.847	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-85.9	125.6	153.3	-80.6	-31.7	0	0	0	109.6	G9	H7-G9 PolarHBondContact O-N 3.37Å
8	P	48.5	Very low	51.4	Low	125 Å²	125	148.6 Å²	148.6	81%	0.812	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-67.2	131.2	175.1	28	-32	0	0	0	109.4
9	G	46.4	Very low	52.7	Low	65 Å²	65	148.8 Å²	148.8	67%	0.67	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-53.5	138.4	-174.9	0	0	0	0	0	113.5	H7 F11	H7-G9 PolarHBondContact O-N 3.37Å; G9-F11 PolarHBondContact O-N 3.19Å
10	R	47.4	Very low	54.2	Low	255 Å²	255	147 Å²	147	96%	0.962	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-57.1	120	161.5	-86.8	178.3	170.5	178.9	-3.4	108.1
11	F	47.9	Very low	55.6	Low	206 Å²	206	148.4 Å²	148.4	90%	0.904	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-49.8	143.5	170.9	-78.7	-87.7	0	0	0	111.1	G9	G9-F11 PolarHBondContact O-N 3.19Å
12	C	50.3	Low	57.9	Low	111 Å²	111	150.4 Å²	150.4	75%	0.75	80%	0.795	S	S	*	*			trans	-29.5	143.2	178.3	-80.5	0	0	0	0	114.9	V14	C12-V14 VanDerWaalsContact C-N 3.28Å; C12-V14 PolarHBondContact O-N 2.78Å
13	R	56.7	Low	60.2	Low	256 Å²	256	148.6 Å²	148.6	97%	0.966	78%	0.783	S	S	*	*			trans	-54.5	93.1	158.9	-78.7	177.9	172.3	173.2	-3	108.7	S15	R13-S15 PolarHBondContact O-N 3.14Å; R13-S15 VanDerWaalsContact O-N 3.14Å
14	V	58.4	Low	62.2	Low	126 Å²	126	147.6 Å²	147.6	76%	0.764	79%	0.785	S	S	*	*			trans	-68.4	107.6	168.4	-178	0	0	0	0	105.3	C12	C12-V14 VanDerWaalsContact C-N 3.28Å; C12-V14 PolarHBondContact O-N 2.78Å
15	S	59.5	Low	64.1	Low	96 Å²	96	145.5 Å²	145.5	67%	0.671	76%	0.764	S	S	*	*			trans	-48.9	138.2	164.4	49.6	0	0	0	0	108.4	R13 P17	R13-S15 PolarHBondContact O-N 3.14Å; R13-S15 VanDerWaalsContact O-N 3.14Å; S15-P17 VanDerWaalsContact C-CD 3.46Å; S15-P17 WeakPolarHBondContact O-CD 2.74Å
16	E	62.4	Low	65.9	Low	198 Å²	198	145.4 Å²	145.4	93%	0.925	75%	0.752	S	S	*	*			trans	-78.8	101.1	-179	-65.4	177.5	161.1	0	0	111.7
17	P	59.1	Low	67.8	Low	94 Å²	94	141.1 Å²	141.1	61%	0.61	74%	0.739	S	S	*	*			trans	-104.3	125.6	141.1	31.7	-27.1	0	0	0	107.3	S15 Q19	S15-P17 VanDerWaalsContact C-CD 3.46Å; S15-P17 WeakPolarHBondContact O-CD 2.74Å; P17-Q19 PolarHBondContact O-N 3.43Å
18	S	68.8	Low	69.4	Low	117 Å²	117	136.7 Å²	136.7	82%	0.818	72%	0.721	S	S	*	*			trans	-58.7	112.1	175.5	67.6	0	0	0	0	109.3
19	Q	76.9	Confident	71.4	Confident	152 Å²	152	136.6 Å²	136.6	71%	0.71	71%	0.71	S	S	*	*			trans	-91.2	118.4	169.9	-90.8	-176.7	-8.2	0	0	109.3	P17 F21	P17-Q19 PolarHBondContact O-N 3.43Å; Q19-F21 HydrophobicContact CB-CE2 4.13Å; Q19-F21 HydrophobicContact CB-CZ 4.47Å
20	T	81.9	Confident	73.6	Confident	112 Å²	112	137.2 Å²	137.2	69%	0.687	70%	0.7	S	S	*	*			trans	-97.8	112.7	174.3	-55	0	0	0	0	109.5	R22	T20-R22 HydrophobicContact CG2-CG 4.44Å
21	F	83.8	Confident	75.6	Confident	177 Å²	177	128 Å²	128	78%	0.776	67%	0.67	S	S	*	*			trans	-84	130.3	169.8	-61.7	-89.1	0	0	0	109.3	Q19	Q19-F21 HydrophobicContact CB-CE2 4.13Å; Q19-F21 HydrophobicContact CB-CZ 4.47Å
22	R	86.1	Confident	77.6	Confident	221 Å²	221	125.9 Å²	125.9	83%	0.834	66%	0.656	S	S	*	*			trans	-112.2	135.5	176.5	-63.1	-177.3	-179.2	-179.4	0.1	108.7	T20 P24	T20-R22 HydrophobicContact CG2-CG 4.44Å; R22-P24 WeakPolarHBondContact O-CD 3.21Å
23	F	88.3	Confident	79.7	Confident	121 Å²	121	122 Å²	122	53%	0.531	64%	0.635	S	S	.	*			trans	-106.3	95.1	170.3	176.5	-143.9	0	0	0	109.2	G25 Q26 E29	F23-G25 PolarHBondContact O-N 3.32Å; F23-G25 VanDerWaalsContact O-N 3.17Å; F23-Q26 HydrophobicContact CD1-CB 3.46Å; F23-Q26 VanDerWaalsContact CD1-CB 3.46Å; F23-Q26 HydrophobicContact CD1-CG 3.98Å; F23-Q26 HydrophobicContact CE1-CB 3.91Å; F23-Q26 HydrophobicContact CE1-CG 4.37Å; F23-Q26 HydrophobicContact CG-CB 4.19Å; F23-Q26 PolarHBondContact O-N 2.98Å; F23-E29 VanDerWaalsContact CE1-OE2 3.32Å; F23-E29 WeakPolarHBondContact CE1-OE2 3.45Å; F23-E29 WeakPolarHBondContact CZ-OE2 3.12Å
24	P	83.4	Confident	81.4	Confident	127 Å²	127	113.2 Å²	113.2	83%	0.825	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-23	-171.3	-22.1	34.4	0	0	0	114.2	R22	R22-P24 WeakPolarHBondContact O-CD 3.21Å
25	G	86.9	Confident	83.1	Confident	30 Å²	30	108.2 Å²	108.2	31%	0.309	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.9	-7.6	-178.2	0	0	0	0	0	115.2	F23 A27 L28 E29	F23-G25 PolarHBondContact O-N 3.32Å; F23-G25 VanDerWaalsContact O-N 3.17Å; G25-A27 VanDerWaalsContact C-N 3.31Å; G25-A27 PolarHBondContact O-N 3.09Å; G25-L28 PolarHBondContact O-N 3.21Å; G25-L28 VanDerWaalsContact O-N 3.12Å; G25-E29 PolarHBondContact O-N 3.21Å; G25-E29 VanDerWaalsContact O-N 3.1Å
26	Q	91.6	Very high	84.7	Confident	122 Å²	122	107.7 Å²	107.7	57%	0.57	56%	0.564	S	S	*	*	H	α-helix	trans	-54.5	-44.8	-171.5	-166.9	178.9	13.2	0	0	113	F23 L28 E29 V30	F23-Q26 HydrophobicContact CD1-CB 3.46Å; F23-Q26 VanDerWaalsContact CD1-CB 3.46Å; F23-Q26 HydrophobicContact CD1-CG 3.98Å; F23-Q26 HydrophobicContact CE1-CB 3.91Å; F23-Q26 HydrophobicContact CE1-CG 4.37Å; F23-Q26 HydrophobicContact CG-CB 4.19Å; F23-Q26 PolarHBondContact O-N 2.98Å; Q26-L28 PolarHBondContact O-N 3.24Å; Q26-E29 PolarHBondContact O-N 2.89Å; Q26-V30 VanDerWaalsContact O-CG2 3.3Å; Q26-V30 WeakPolarHBondContact O-CG2 3.45Å; Q26-V30 PolarHBondContact O-N 3.25Å
27	A	86.9	Confident	86.2	Confident	69 Å²	69	101.2 Å²	101.2	57%	0.57	53%	0.534	S	S	*	.	H	α-helix	trans	-63.9	-39.5	-177.9	0	0	0	0	0	112.6	G25 L31	G25-A27 VanDerWaalsContact C-N 3.31Å; G25-A27 PolarHBondContact O-N 3.09Å; A27-L31 PolarHBondContact O-N 2.98Å
28	L	87.2	Confident	87.9	Confident	90 Å²	90	98 Å²	98	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-69.9	-38.4	178.5	-174.7	65.7	0	0	0	111.3	G25 Q26 L31 R32	G25-L28 PolarHBondContact O-N 3.21Å; G25-L28 VanDerWaalsContact O-N 3.12Å; Q26-L28 PolarHBondContact O-N 3.24Å; L28-L31 PolarHBondContact O-N 3.26Å; L28-R32 WeakPolarHBondContact O-CB 3.49Å; L28-R32 WeakPolarHBondContact O-CG 3.44Å; L28-R32 PolarHBondContact O-N 2.75Å
29	E	90.1	Very high	89	Confident	124 Å²	124	99.5 Å²	99.5	58%	0.579	50%	0.503	S	S	*	.	H	α-helix	trans	-66.2	-41.2	177	-165.8	172.3	-173.4	0	0	111.7	F23 G25 Q26 R32 G33	F23-E29 VanDerWaalsContact CE1-OE2 3.32Å; F23-E29 WeakPolarHBondContact CE1-OE2 3.45Å; F23-E29 WeakPolarHBondContact CZ-OE2 3.12Å; G25-E29 PolarHBondContact O-N 3.21Å; G25-E29 VanDerWaalsContact O-N 3.1Å; Q26-E29 PolarHBondContact O-N 2.89Å; E29-R32 PolarHBondContact O-N 2.71Å; E29-G33 PolarHBondContact O-N 2.85Å
30	V	91.2	Very high	89.7	Confident	77 Å²	77	97.8 Å²	97.8	47%	0.467	50%	0.495	S	S	.	.	H	α-helix	trans	-62.3	-47.1	174.3	170.6	0	0	0	0	111.6	Q26 R32 G33 F34	Q26-V30 VanDerWaalsContact O-CG2 3.3Å; Q26-V30 WeakPolarHBondContact O-CG2 3.45Å; Q26-V30 PolarHBondContact O-N 3.25Å; V30-R32 PolarHBondContact O-N 2.64Å; V30-G33 PolarHBondContact O-N 2.73Å; V30-F34 HydrophobicContact CG1-CD2 3.84Å; V30-F34 HydrophobicContact CG1-CE2 3.65Å; V30-F34 WeakPolarHBondContact O-CD2 3.43Å; V30-F34 PolarHBondContact O-N 3.31Å
31	L	90.6	Very high	90.2	Very high	63 Å²	63	96.9 Å²	96.9	33%	0.33	49%	0.49	S	S	.	.	H	α-helix	trans	-61.8	-42	177.6	-87.7	160.1	0	0	0	112.3	A27 L28 G33 F34 S35	A27-L31 PolarHBondContact O-N 2.98Å; L28-L31 PolarHBondContact O-N 3.26Å; L31-G33 VanDerWaalsContact C-N 3.34Å; L31-G33 PolarHBondContact O-N 2.77Å; L31-F34 PolarHBondContact O-N 3.48Å; L31-S35 PolarHBondContact O-N 3.25Å
32	R	90.5	Very high	90.5	Very high	161 Å²	161	95.2 Å²	95.2	61%	0.608	48%	0.478	S	S	*	.	H	α-helix	trans	-59.7	-43.9	172.7	-76.9	177.9	178.7	-178.6	-0.4	111.8	L28 E29 V30 F34 S35 D36	L28-R32 WeakPolarHBondContact O-CB 3.49Å; L28-R32 WeakPolarHBondContact O-CG 3.44Å; L28-R32 PolarHBondContact O-N 2.75Å; E29-R32 PolarHBondContact O-N 2.71Å; V30-R32 PolarHBondContact O-N 2.64Å; R32-F34 VanDerWaalsContact C-N 3.33Å; R32-F34 PolarHBondContact O-N 3.04Å; R32-S35 WeakPolarHBondContact O-CB 3.43Å; R32-S35 PolarHBondContact O-N 3.29Å; R32-S35 VanDerWaalsContact O-N 3.1Å; R32-D36 PolarHBondContact O-N 3.25Å
33	G	92.9	Very high	90.8	Very high	30 Å²	30	92 Å²	92	31%	0.309	47%	0.471	S	S	.	.	H	α-helix	trans	-57.9	-43.1	175	0	0	0	0	0	112.9	E29 V30 L31 D36 Q37	E29-G33 PolarHBondContact O-N 2.85Å; V30-G33 PolarHBondContact O-N 2.73Å; L31-G33 VanDerWaalsContact C-N 3.34Å; L31-G33 PolarHBondContact O-N 2.77Å; G33-D36 PolarHBondContact O-N 3.35Å; G33-Q37 WeakPolarHBondContact O-CB 3.47Å; G33-Q37 VanDerWaalsContact O-CG 3.31Å; G33-Q37 WeakPolarHBondContact O-CG 3.3Å; G33-Q37 PolarHBondContact O-N 3.25Å
34	F	93.7	Very high	91	Very high	70 Å²	70	87.5 Å²	87.5	31%	0.307	45%	0.454	S	S	.	.	H	α-helix	trans	-66.1	-35.9	174.1	-81.7	-62.4	0	0	0	113	V30 L31 R32 Q37 R38 V61 Y103	V30-F34 HydrophobicContact CG1-CD2 3.84Å; V30-F34 HydrophobicContact CG1-CE2 3.65Å; V30-F34 WeakPolarHBondContact O-CD2 3.43Å; V30-F34 PolarHBondContact O-N 3.31Å; L31-F34 PolarHBondContact O-N 3.48Å; R32-F34 VanDerWaalsContact C-N 3.33Å; R32-F34 PolarHBondContact O-N 3.04Å; F34-Q37 PolarHBondContact O-N 2.89Å; F34-R38 WeakPolarHBondContact O-CB 3.24Å; F34-R38 PolarHBondContact O-N 3.47Å; F34-V61 HydrophobicContact CD1-CG2 4.29Å; F34-V61 HydrophobicContact CD2-CG2 4.4Å; F34-V61 HydrophobicContact CG-CG2 4.17Å; F34-Y103 HydrophobicContact CB-CD1 3.95Å; F34-Y103 HydrophobicContact CB-CE1 3.95Å
35	S	93.1	Very high	91.5	Very high	21 Å²	21	85.5 Å²	85.5	15%	0.147	44%	0.436	C	S	.	.	H	α-helix	trans	-62.7	-46.8	174.5	-172.2	0	0	0	0	111.4	L31 R32 Q37 R38 Q39	L31-S35 PolarHBondContact O-N 3.25Å; R32-S35 WeakPolarHBondContact O-CB 3.43Å; R32-S35 PolarHBondContact O-N 3.29Å; R32-S35 VanDerWaalsContact O-N 3.1Å; S35-Q37 PolarHBondContact O-N 2.99Å; S35-R38 WeakPolarHBondContact O-CB 3.31Å; S35-R38 PolarHBondContact O-N 3.48Å; S35-Q39 WeakPolarHBondContact O-CG 3.48Å; S35-Q39 PolarHBondContact O-N 3.24Å
36	D	93.4	Very high	91.9	Very high	86 Å²	86	84.1 Å²	84.1	46%	0.46	42%	0.422	S	S	.	.	H	α-helix	trans	-63.8	-41.3	178.2	-68.3	-13.9	0	0	0	111.4	R32 G33 R38 Q39 Q40	R32-D36 PolarHBondContact O-N 3.25Å; G33-D36 PolarHBondContact O-N 3.35Å; D36-R38 VanDerWaalsContact C-N 3.35Å; D36-R38 PolarHBondContact O-N 3.01Å; D36-Q39 PolarHBondContact O-N 3.49Å; D36-Q40 WeakPolarHBondContact O-CG 3.34Å; D36-Q40 PolarHBondContact O-N 2.97Å
37	Q	94.3	Very high	92.1	Very high	61 Å²	61	79 Å²	79	29%	0.285	40%	0.399	S	S	.	.	H	α-helix	trans	-59.9	-44.1	174.3	-77.5	178.8	10	0	0	111.9	G33 F34 S35 Q40 T41 R42 F43	G33-Q37 WeakPolarHBondContact O-CB 3.47Å; G33-Q37 VanDerWaalsContact O-CG 3.31Å; G33-Q37 WeakPolarHBondContact O-CG 3.3Å; G33-Q37 PolarHBondContact O-N 3.25Å; F34-Q37 PolarHBondContact O-N 2.89Å; S35-Q37 PolarHBondContact O-N 2.99Å; Q37-Q40 CarbonylContact O-C 3.52Å; Q37-Q40 PolarHBondContact O-N 3.19Å; Q37-T41 PolarHBondContact O-N 2.95Å; Q37-R42 PolarHBondContact O-N 3.43Å; Q37-F43 HydrophobicContact CG-CD2 4.37Å
38	R	94.1	Very high	92.6	Very high	28 Å²	28	75.7 Å²	75.7	11%	0.106	37%	0.372	C	S	.	.	H	α-helix	trans	-59.9	-47.4	176.7	178.4	177.3	167.3	-130.1	-12.9	111.6	F34 S35 D36 Q40 T41 Q56 L99 D100 Y103	F34-R38 WeakPolarHBondContact O-CB 3.24Å; F34-R38 PolarHBondContact O-N 3.47Å; S35-R38 WeakPolarHBondContact O-CB 3.31Å; S35-R38 PolarHBondContact O-N 3.48Å; D36-R38 VanDerWaalsContact C-N 3.35Å; D36-R38 PolarHBondContact O-N 3.01Å; R38-Q40 VanDerWaalsContact C-N 3.32Å; R38-Q40 PolarHBondContact O-N 3.43Å; R38-T41 PolarHBondContact O-N 3.4Å; R38-T41 VanDerWaalsContact O-N 3.11Å; R38-Q56 WeakPolarHBondContact CD-O 3.46Å; R38-Q56 VanDerWaalsContact CG-O 3.25Å; R38-Q56 WeakPolarHBondContact CG-O 3.39Å; R38-Q56 PolarHBondContact NE-O 3.12Å; R38-L99 PolarHBondContact NH1-O 3.31Å; R38-L99 VanDerWaalsContact NH2-CB 3.32Å; R38-D100 IonicContact CZ-OD1 3.94Å; R38-D100 IonicContact NH1-OD1 3.86Å; R38-D100 PolarHBondContact NH1-OD1 3.49Å; R38-D100 IonicContact NH2-OD1 2.73Å; R38-D100 PolarHBondContact NH2-OD1 3.03Å; R38-Y103 HydrophobicContact CB-CD1 4.5Å; R38-Y103 HydrophobicContact CB-CE1 4.26Å
39	Q	91.3	Very high	93	Very high	148 Å²	148	72.2 Å²	72.2	69%	0.692	35%	0.354	S	S	*	.	H	α-helix	trans	-63.8	-36	179.3	-70.3	177.9	4.9	0	0	112.6	S35 D36 T41	S35-Q39 WeakPolarHBondContact O-CG 3.48Å; S35-Q39 PolarHBondContact O-N 3.24Å; D36-Q39 PolarHBondContact O-N 3.49Å; Q39-T41 VanDerWaalsContact C-N 3.29Å
40	Q	93.4	Very high	93.2	Very high	116 Å²	116	66.3 Å²	66.3	54%	0.542	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	0.9	176.2	-64.3	176.8	16.1	0	0	113.4	D36 Q37 R38 R42	D36-Q40 WeakPolarHBondContact O-CG 3.34Å; D36-Q40 PolarHBondContact O-N 2.97Å; Q37-Q40 CarbonylContact O-C 3.52Å; Q37-Q40 PolarHBondContact O-N 3.19Å; R38-Q40 VanDerWaalsContact C-N 3.32Å; R38-Q40 PolarHBondContact O-N 3.43Å; Q40-R42 HydrophobicContact CB-CG 3.91Å; Q40-R42 PolarHBondContact O-N 3.01Å
41	T	91.4	Very high	93.2	Very high	93 Å²	93	66.7 Å²	66.7	57%	0.571	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	31.6	-176.3	69	0	0	0	0	114	Q37 R38 Q39 Q56	Q37-T41 PolarHBondContact O-N 2.95Å; R38-T41 PolarHBondContact O-N 3.4Å; R38-T41 VanDerWaalsContact O-N 3.11Å; Q39-T41 VanDerWaalsContact C-N 3.29Å; T41-Q56 HydrophobicContact CG2-CG 3.81Å
42	R	90.8	Very high	93	Very high	141 Å²	141	67 Å²	67	53%	0.532	36%	0.356	S	S	.	.			trans	-98.1	133.6	-179.7	-61.4	-175.8	77.7	-177.2	3.6	109.8	Q37 Q40 C44 H58	Q37-R42 PolarHBondContact O-N 3.43Å; Q40-R42 HydrophobicContact CB-CG 3.91Å; Q40-R42 PolarHBondContact O-N 3.01Å; R42-C44 PolarHBondContact O-N 3.48Å; R42-H58 PolarHBondContact O-NE2 3.35Å
43	F	91.7	Very high	93.3	Very high	153 Å²	153	64.8 Å²	64.8	67%	0.671	35%	0.348	S	S	*	.	S	Bend	trans	61	5.5	178.7	-51.9	-74.2	0	0	0	116.1	Q37 D45 H58	Q37-F43 HydrophobicContact CG-CD2 4.37Å; F43-D45 PolarHBondContact O-N 2.98Å; F43-H58 PolarHBondContact O-CD2 3.32Å
44	C	92.9	Very high	93.4	Very high	28 Å²	28	70 Å²	70	19%	0.189	36%	0.359	C	S	.	.			trans	-63.9	128.1	169.8	-59.5	0	0	0	0	110.2	R42 Q56 A57	R42-C44 PolarHBondContact O-N 3.48Å; C44-Q56 HydrophobicContact CB-CB 4.23Å; C44-A57 WeakPolarHBondContact CA-O 3.43Å; C44-A57 WeakPolarHBondContact CB-O 3.42Å
45	D	94	Very high	93.5	Very high	84 Å²	84	67.2 Å²	67.2	45%	0.449	35%	0.346	S	S	.	.			trans	-113.1	2.4	-174.6	60.5	-6.2	0	0	0	112.8	F43 A57 H58 R59	F43-D45 PolarHBondContact O-N 2.98Å; D45-A57 PolarHBondContact N-O 3.37Å; D45-H58 VanDerWaalsContact OD1-CA 3.24Å; D45-H58 WeakPolarHBondContact OD1-CA 3.48Å; D45-R59 WeakPolarHBondContact OD1-CG 3.42Å; D45-R59 PolarHBondContact OD1-N 3.07Å
46	V	95.1	Very high	93.7	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.006	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	144.5	174.3	66.1	0	0	0	0	112.1	L48 A57 R59 L62 F73 V85	V46-L48 HydrophobicContact CG2-CD2 4.17Å; V46-A57 HydrophobicContact CG1-CB 4.1Å; V46-A57 PolarHBondContact N-O 2.96Å; V46-A57 PolarHBondContact O-N 3.28Å; V46-R59 HydrophobicContact CB-CG 3.88Å; V46-R59 HydrophobicContact CG1-CG 3.74Å; V46-L62 HydrophobicContact CG1-CD1 4.09Å; V46-F73 HydrophobicContact CG2-CZ 4.36Å; V46-V85 HydrophobicContact CG2-CG2 3.98Å
47	V	96.2	Very high	93.8	Very high	15 Å²	15	65.1 Å²	65.1	9%	0.091	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.7	169.3	-174.3	0	0	0	0	109.1	V49 R54 F55 P83 E84 V85	V47-V49 HydrophobicContact CG1-CG2 4.45Å; V47-R54 HydrophobicContact CG1-CB 3.91Å; V47-R54 HydrophobicContact CG1-CG 4.43Å; V47-F55 CarbonylContact C-O 3.54Å; V47-F55 WeakPolarHBondContact CA-O 3.47Å; V47-P83 PolarHBondContact N-O 3.09Å; V47-E84 HydrophobicContact CB-CB 4.48Å; V47-E84 HydrophobicContact CB-CG 4.33Å; V47-E84 HydrophobicContact CG1-CG 4.5Å; V47-E84 CarbonylContact O-C 3.54Å; V47-E84 VanDerWaalsContact O-CA 3.29Å; V47-E84 WeakPolarHBondContact O-CA 3.39Å; V47-V85 PolarHBondContact O-N 2.86Å
48	L	96	Very high	93.9	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.1	171.9	-56.5	-177.6	0	0	0	110	V46 R54 F55 L62 F69 V85 I87 L95 L99	V46-L48 HydrophobicContact CG2-CD2 4.17Å; L48-R54 CarbonylContact O-C 3.59Å; L48-R54 WeakPolarHBondContact O-CA 3.32Å; L48-F55 HydrophobicContact CB-CB 4.43Å; L48-F55 PolarHBondContact N-O 3.39Å; L48-F55 PolarHBondContact O-N 2.61Å; L48-L62 HydrophobicContact CD1-CD1 3.89Å; L48-L62 HydrophobicContact CD2-CD1 4.44Å; L48-L62 HydrophobicContact CG-CD1 4.39Å; L48-F69 HydrophobicContact CD1-CE1 4.05Å; L48-F69 HydrophobicContact CD1-CZ 3.72Å; L48-F69 HydrophobicContact CD2-CE1 4.15Å; L48-V85 CarbonylContact C-O 3.57Å; L48-V85 WeakPolarHBondContact CA-O 3.37Å; L48-V85 HydrophobicContact CD2-CB 4.13Å; L48-I87 HydrophobicContact CB-CG1 4.4Å; L48-I87 HydrophobicContact CD2-CD1 4.3Å; L48-I87 HydrophobicContact CD2-CG1 4.34Å; L48-L95 HydrophobicContact CB-CD2 4.13Å; L48-L95 HydrophobicContact CD1-CD1 4.38Å; L48-L99 HydrophobicContact CD1-CD1 4.32Å; L48-L99 HydrophobicContact CD1-CD2 4.08Å
49	V	95.5	Very high	93.9	Very high	16 Å²	16	63.2 Å²	63.2	10%	0.097	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.7	177.8	-175.3	0	0	0	0	110.3	V47 R53 R54 E84 V85 I87	V47-V49 HydrophobicContact CG1-CG2 4.45Å; V49-R53 WeakPolarHBondContact CA-O 3.36Å; V49-R54 HydrophobicContact CG2-CG 4.21Å; V49-E84 HydrophobicContact CG2-CG 3.6Å; V49-E84 VanDerWaalsContact CG2-OE1 3.29Å; V49-E84 WeakPolarHBondContact CG2-OE1 3.45Å; V49-V85 PolarHBondContact N-O 3.09Å; V49-I87 PolarHBondContact O-N 3.37Å
50	A	94.8	Very high	93.9	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.4	174.1	0	0	0	0	0	109.7	G52 R53 F55 L95	A50-G52 PolarHBondContact O-N 3.37Å; A50-R53 PolarHBondContact N-O 3.12Å; A50-R53 VanDerWaalsContact N-O 3.09Å; A50-R53 PolarHBondContact O-N 3.02Å; A50-F55 HydrophobicContact CB-CE2 4.42Å; A50-L95 HydrophobicContact CB-CB 4.21Å; A50-L95 HydrophobicContact CB-CD2 3.52Å
51	A	90.7	Very high	94	Very high	85 Å²	85	54 Å²	54	70%	0.702	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	36.6	-177.5	0	0	0	0	0	114.3	R53	A51-R53 VanDerWaalsContact C-N 3.29Å; A51-R53 PolarHBondContact O-N 3.41Å
52	G	88.1	Confident	94.2	Very high	70 Å²	70	49.5 Å²	49.5	72%	0.722	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-5.3	-179.7	0	0	0	0	0	115.7	A50	A50-G52 PolarHBondContact O-N 3.37Å
53	R	95.9	Very high	94.3	Very high	115 Å²	115	43.6 Å²	43.6	43%	0.434	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	139.1	174.4	-168.1	168.6	176	-169.1	-4.4	110.6	V49 A50 A51 F55 E96	V49-R53 WeakPolarHBondContact CA-O 3.36Å; A50-R53 PolarHBondContact N-O 3.12Å; A50-R53 VanDerWaalsContact N-O 3.09Å; A50-R53 PolarHBondContact O-N 3.02Å; A51-R53 VanDerWaalsContact C-N 3.29Å; A51-R53 PolarHBondContact O-N 3.41Å; R53-F55 HydrophobicContact CB-CE2 3.91Å; R53-F55 HydrophobicContact CB-CZ 4.04Å; R53-F55 HydrophobicContact CG-CE1 4.26Å; R53-F55 HydrophobicContact CG-CE2 3.95Å; R53-F55 HydrophobicContact CG-CZ 3.69Å; R53-E96 IonicContact CZ-OE1 3.16Å; R53-E96 IonicContact CZ-OE2 2.84Å; R53-E96 IonicContact NH1-OE1 2.73Å; R53-E96 IonicContact NH1-OE2 3.14Å; R53-E96 PolarHBondContact NH1-OE2 3.44Å; R53-E96 VanDerWaalsContact NH2-CD 3.34Å; R53-E96 IonicContact NH2-OE1 2.81Å; R53-E96 PolarHBondContact NH2-OE1 2.8Å; R53-E96 IonicContact NH2-OE2 3.31Å; R53-E96 PolarHBondContact NH2-OE2 2.84Å
54	R	95.6	Very high	94.4	Very high	140 Å²	140	43 Å²	43	53%	0.528	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.6	-176.1	-59.1	171.2	71.3	89	4.7	110.7	V47 L48 V49 E84	V47-R54 HydrophobicContact CG1-CB 3.91Å; V47-R54 HydrophobicContact CG1-CG 4.43Å; L48-R54 CarbonylContact O-C 3.59Å; L48-R54 WeakPolarHBondContact O-CA 3.32Å; V49-R54 HydrophobicContact CG2-CG 4.21Å; R54-E84 IonicContact CZ-OE1 2.78Å; R54-E84 IonicContact CZ-OE2 3.49Å; R54-E84 IonicContact NH1-OE1 3.3Å; R54-E84 PolarHBondContact NH1-OE1 3.31Å; R54-E84 IonicContact NH1-OE2 3.66Å; R54-E84 PolarHBondContact NH1-OE2 2.61Å; R54-E84 IonicContact NH2-OE1 3.45Å; R54-E84 IonicContact NH2-OE2 3.3Å; R54-E84 PolarHBondContact NH2-OE2 2.86Å
55	F	96.3	Very high	94.5	Very high	10 Å²	10	44.2 Å²	44.2	4%	0.044	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.5	-179.3	-58.6	-85.4	0	0	0	110.7	V47 L48 A50 R53 S92 L95 E96 L99	V47-F55 CarbonylContact C-O 3.54Å; V47-F55 WeakPolarHBondContact CA-O 3.47Å; L48-F55 HydrophobicContact CB-CB 4.43Å; L48-F55 PolarHBondContact N-O 3.39Å; L48-F55 PolarHBondContact O-N 2.61Å; A50-F55 HydrophobicContact CB-CE2 4.42Å; R53-F55 HydrophobicContact CB-CE2 3.91Å; R53-F55 HydrophobicContact CB-CZ 4.04Å; R53-F55 HydrophobicContact CG-CE1 4.26Å; R53-F55 HydrophobicContact CG-CE2 3.95Å; R53-F55 HydrophobicContact CG-CZ 3.69Å; F55-S92 WeakPolarHBondContact CZ-O 3.34Å; F55-L95 HydrophobicContact CD2-CD2 3.69Å; F55-L95 HydrophobicContact CD2-CG 4.33Å; F55-L95 HydrophobicContact CE2-CD2 3.99Å; F55-L95 HydrophobicContact CE2-CG 4.47Å; F55-L95 HydrophobicContact CG-CD2 4.45Å; F55-E96 HydrophobicContact CD1-CB 4.46Å; F55-E96 HydrophobicContact CE1-CB 3.61Å; F55-E96 HydrophobicContact CE1-CG 3.91Å; F55-E96 HydrophobicContact CZ-CB 4.07Å; F55-L99 HydrophobicContact CB-CD1 3.65Å; F55-L99 HydrophobicContact CD1-CD1 4.3Å; F55-L99 HydrophobicContact CG-CD1 4.01Å
56	Q	96	Very high	94.6	Very high	64 Å²	64	40.2 Å²	40.2	30%	0.299	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	139.6	175.3	-65.3	-70.1	-12.1	0	0	110.2	R38 T41 C44	R38-Q56 WeakPolarHBondContact CD-O 3.46Å; R38-Q56 VanDerWaalsContact CG-O 3.25Å; R38-Q56 WeakPolarHBondContact CG-O 3.39Å; R38-Q56 PolarHBondContact NE-O 3.12Å; T41-Q56 HydrophobicContact CG2-CG 3.81Å; C44-Q56 HydrophobicContact CB-CB 4.23Å
57	A	96.1	Very high	94.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	169.9	178.2	0	0	0	0	0	112.7	C44 D45 V46 L62	C44-A57 WeakPolarHBondContact CA-O 3.43Å; C44-A57 WeakPolarHBondContact CB-O 3.42Å; D45-A57 PolarHBondContact N-O 3.37Å; V46-A57 HydrophobicContact CG1-CB 4.1Å; V46-A57 PolarHBondContact N-O 2.96Å; V46-A57 PolarHBondContact O-N 3.28Å; A57-L62 HydrophobicContact CB-CD1 3.78Å; A57-L62 HydrophobicContact CB-CD2 4.43Å; A57-L62 HydrophobicContact CB-CG 4.21Å
58	H	95.7	Very high	94.6	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.046	26%	0.258	C	S	.	.			trans	-107.6	122.5	172.4	-51.6	87.5	0	0	0	109.6	R42 F43 D45 A60 V61 L62 Y103	R42-H58 PolarHBondContact O-NE2 3.35Å; F43-H58 PolarHBondContact O-CD2 3.32Å; D45-H58 VanDerWaalsContact OD1-CA 3.24Å; D45-H58 WeakPolarHBondContact OD1-CA 3.48Å; H58-A60 PolarHBondContact O-N 3.47Å; H58-V61 HydrophobicContact CB-CB 4.37Å; H58-V61 HydrophobicContact CB-CG2 4.05Å; H58-V61 PolarHBondContact O-N 2.84Å; H58-V61 VanDerWaalsContact O-N 3.16Å; H58-L62 WeakPolarHBondContact O-CG 3.4Å; H58-L62 PolarHBondContact O-N 3.07Å; H58-L62 VanDerWaalsContact O-N 3.11Å; H58-Y103 WeakPolarHBondContact CB-OH 3.2Å; H58-Y103 PolarHBondContact N-OH 3.23Å; H58-Y103 AromaticContact ND1-CE1 3.47Å; H58-Y103 WeakPolarHBondContact ND1-CE1 3.16Å; H58-Y103 AromaticContact ND1-CZ 3.67Å; H58-Y103 PolarHBondContact ND1-OH 3.4Å; H58-Y103 VanDerWaalsContact ND1-OH 3.07Å
59	R	94	Very high	94.6	Very high	38 Å²	38	45.2 Å²	45.2	14%	0.143	26%	0.258	C	S	.	.	H	α-helix	trans	-53.7	-41.4	177.6	-71.9	169.7	155.8	-107.3	-8	112.4	D45 V46 V61 L62 A63 F73 E79 E80 Q82	D45-R59 WeakPolarHBondContact OD1-CG 3.42Å; D45-R59 PolarHBondContact OD1-N 3.07Å; V46-R59 HydrophobicContact CB-CG 3.88Å; V46-R59 HydrophobicContact CG1-CG 3.74Å; R59-V61 PolarHBondContact O-N 3.43Å; R59-L62 PolarHBondContact O-N 3.38Å; R59-A63 VanDerWaalsContact O-CB 3.24Å; R59-A63 WeakPolarHBondContact O-CB 3.41Å; R59-A63 PolarHBondContact O-N 2.9Å; R59-F73 HydrophobicContact CB-CD2 4.07Å; R59-F73 HydrophobicContact CB-CE2 4.24Å; R59-F73 HydrophobicContact CG-CD2 4.12Å; R59-F73 HydrophobicContact CG-CE1 4.44Å; R59-F73 HydrophobicContact CG-CE2 4.02Å; R59-F73 HydrophobicContact CG-CG 4.39Å; R59-F73 HydrophobicContact CG-CZ 4.19Å; R59-E79 PolarHBondContact NH2-O 2.82Å; R59-E80 PolarHBondContact NH1-O 3.23Å; R59-E80 PolarHBondContact NH2-O 3.23Å; R59-Q82 PolarHBondContact NH2-O 3.32Å
60	A	92.8	Very high	94.5	Very high	59 Å²	59	49.4 Å²	49.4	49%	0.488	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-46.3	179.9	0	0	0	0	0	112	H58 I64	H58-A60 PolarHBondContact O-N 3.47Å; A60-I64 WeakPolarHBondContact O-CB 3.29Å; A60-I64 VanDerWaalsContact O-CD1 3.31Å; A60-I64 WeakPolarHBondContact O-CD1 3.31Å; A60-I64 WeakPolarHBondContact O-CG1 3.29Å; A60-I64 PolarHBondContact O-N 3.11Å
61	V	94.1	Very high	94.4	Very high	11 Å²	11	51.2 Å²	51.2	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-46	178.2	178	0	0	0	0	110.3	F34 H58 R59 I64 C65 Y103	F34-V61 HydrophobicContact CD1-CG2 4.29Å; F34-V61 HydrophobicContact CD2-CG2 4.4Å; F34-V61 HydrophobicContact CG-CG2 4.17Å; H58-V61 HydrophobicContact CB-CB 4.37Å; H58-V61 HydrophobicContact CB-CG2 4.05Å; H58-V61 PolarHBondContact O-N 2.84Å; H58-V61 VanDerWaalsContact O-N 3.16Å; R59-V61 PolarHBondContact O-N 3.43Å; V61-I64 PolarHBondContact O-N 3.35Å; V61-C65 WeakPolarHBondContact O-CB 3.24Å; V61-C65 PolarHBondContact O-N 3.03Å; V61-C65 VanDerWaalsContact O-N 3.09Å; V61-C65 PolarHBondContact O-SG 2.75Å; V61-C65 VanDerWaalsContact O-SG 3.35Å; V61-Y103 HydrophobicContact CB-CE1 4.25Å; V61-Y103 HydrophobicContact CG1-CD1 4.48Å; V61-Y103 HydrophobicContact CG1-CD2 4.44Å; V61-Y103 HydrophobicContact CG1-CE1 4.04Å; V61-Y103 HydrophobicContact CG1-CE2 3.99Å; V61-Y103 HydrophobicContact CG2-CE1 4.04Å
62	L	95.3	Very high	94.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-49	179	-65.2	-179.3	0	0	0	112.1	V46 L48 A57 H58 R59 I64 C65 S66 F69 F73 L99 L102	V46-L62 HydrophobicContact CG1-CD1 4.09Å; L48-L62 HydrophobicContact CD1-CD1 3.89Å; L48-L62 HydrophobicContact CD2-CD1 4.44Å; L48-L62 HydrophobicContact CG-CD1 4.39Å; A57-L62 HydrophobicContact CB-CD1 3.78Å; A57-L62 HydrophobicContact CB-CD2 4.43Å; A57-L62 HydrophobicContact CB-CG 4.21Å; H58-L62 WeakPolarHBondContact O-CG 3.4Å; H58-L62 PolarHBondContact O-N 3.07Å; H58-L62 VanDerWaalsContact O-N 3.11Å; R59-L62 PolarHBondContact O-N 3.38Å; L62-I64 VanDerWaalsContact C-N 3.33Å; L62-I64 PolarHBondContact O-N 3.16Å; L62-C65 PolarHBondContact O-N 2.83Å; L62-S66 WeakPolarHBondContact O-CB 3.43Å; L62-S66 PolarHBondContact O-N 2.79Å; L62-F69 HydrophobicContact CB-CB 3.81Å; L62-F69 HydrophobicContact CB-CD2 3.77Å; L62-F69 HydrophobicContact CB-CE2 4.5Å; L62-F69 HydrophobicContact CB-CG 3.81Å; L62-F69 HydrophobicContact CD1-CD1 4.4Å; L62-F69 HydrophobicContact CD1-CD2 4.44Å; L62-F69 HydrophobicContact CD1-CE1 4.46Å; L62-F69 HydrophobicContact CD1-CG 4.42Å; L62-F69 HydrophobicContact CD2-CD2 4.02Å; L62-F69 HydrophobicContact CD2-CE2 3.96Å; L62-F69 HydrophobicContact CG-CD2 4.28Å; L62-F73 HydrophobicContact CB-CE2 4.1Å; L62-F73 HydrophobicContact CD1-CE2 4.04Å; L62-F73 HydrophobicContact CD1-CZ 4.39Å; L62-L99 HydrophobicContact CD2-CD2 3.51Å; L62-L102 HydrophobicContact CD2-CD1 3.71Å
63	A	94.5	Very high	94.8	Very high	17 Å²	17	45.3 Å²	45.3	14%	0.14	23%	0.23	C	C	.	.	H	α-helix	trans	-67.1	-30.1	-179	0	0	0	0	0	113.4	R59 Q70 F73	R59-A63 VanDerWaalsContact O-CB 3.24Å; R59-A63 WeakPolarHBondContact O-CB 3.41Å; R59-A63 PolarHBondContact O-N 2.9Å; A63-Q70 HydrophobicContact CB-CB 4.36Å; A63-Q70 HydrophobicContact CB-CG 4.49Å; A63-Q70 VanDerWaalsContact O-CB 3.31Å; A63-Q70 WeakPolarHBondContact O-CB 3.47Å; A63-F73 HydrophobicContact CB-CD2 4.42Å
64	I	93.7	Very high	94.4	Very high	141 Å²	141	43.9 Å²	43.9	72%	0.723	23%	0.234	S	C	*	.	H	α-helix	trans	-72.3	-41.8	175.1	-72.1	165.5	0	0	0	110.6	A60 V61 L62	A60-I64 WeakPolarHBondContact O-CB 3.29Å; A60-I64 VanDerWaalsContact O-CD1 3.31Å; A60-I64 WeakPolarHBondContact O-CD1 3.31Å; A60-I64 WeakPolarHBondContact O-CG1 3.29Å; A60-I64 PolarHBondContact O-N 3.11Å; V61-I64 PolarHBondContact O-N 3.35Å; L62-I64 VanDerWaalsContact C-N 3.33Å; L62-I64 PolarHBondContact O-N 3.16Å
65	C	94.3	Very high	93.9	Very high	52 Å²	52	43.3 Å²	43.3	35%	0.351	24%	0.241	S	C	.	.	H	α-helix	trans	-88.6	-23.4	-171	-63.4	0	0	0	0	114	V61 L62 L102 L126	V61-C65 WeakPolarHBondContact O-CB 3.24Å; V61-C65 PolarHBondContact O-N 3.03Å; V61-C65 VanDerWaalsContact O-N 3.09Å; V61-C65 PolarHBondContact O-SG 2.75Å; V61-C65 VanDerWaalsContact O-SG 3.35Å; L62-C65 PolarHBondContact O-N 2.83Å; C65-L102 HydrophobicContact CB-CD1 4.29Å; C65-L102 HydrophobicContact CB-CD2 3.46Å; C65-L102 VanDerWaalsContact CB-CD2 3.46Å; C65-L102 HydrophobicContact CB-CG 4.37Å; C65-L126 WeakPolarHBondContact O-CD2 3.46Å
66	S	96.6	Very high	93.2	Very high	1 Å²	1	46 Å²	46	1%	0.007	27%	0.271	C	S	.	.			trans	-129.3	120.2	-174.8	166.7	0	0	0	0	110.8	L62 Y68 F69 Q70 L124	L62-S66 WeakPolarHBondContact O-CB 3.43Å; L62-S66 PolarHBondContact O-N 2.79Å; S66-Y68 PolarHBondContact O-N 2.94Å; S66-Y68 WeakPolarHBondContact OG-CB 3.48Å; S66-Y68 PolarHBondContact OG-N 3.11Å; S66-F69 PolarHBondContact O-N 3.43Å; S66-F69 WeakPolarHBondContact OG-CD2 3.4Å; S66-F69 PolarHBondContact OG-N 3.27Å; S66-Q70 WeakPolarHBondContact O-CB 3.48Å; S66-Q70 PolarHBondContact O-N 3.33Å; S66-L124 PolarHBondContact OG-O 3.49Å
67	P	95.6	Very high	92.6	Very high	56 Å²	56	47.6 Å²	47.6	36%	0.364	28%	0.28	S	S	.	.	H	α-helix	trans	-62.2	-29.5	173.9	-19.7	30.6	0	0	0	112.9	Q70 A71 Q125	P67-Q70 WeakPolarHBondContact O-CB 3.35Å; P67-Q70 PolarHBondContact O-N 3.1Å; P67-A71 WeakPolarHBondContact O-CB 3.33Å; P67-A71 PolarHBondContact O-N 3.44Å; P67-Q125 HydrophobicContact CG-CB 4.47Å
68	Y	95.1	Very high	92	Very high	65 Å²	65	57.2 Å²	57.2	26%	0.255	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-51.1	173.6	174.4	-90.3	0	0	0	111.4	S66 Q70 A71 M72 I87 L124	S66-Y68 PolarHBondContact O-N 2.94Å; S66-Y68 WeakPolarHBondContact OG-CB 3.48Å; S66-Y68 PolarHBondContact OG-N 3.11Å; Y68-Q70 VanDerWaalsContact C-N 3.34Å; Y68-A71 PolarHBondContact O-N 3.12Å; Y68-M72 HydrophobicContact CD1-CE 4.3Å; Y68-M72 HydrophobicContact CE1-CE 3.32Å; Y68-M72 HydrophobicContact CE1-SD 4.43Å; Y68-M72 VanDerWaalsContact CZ-CE 3.49Å; Y68-M72 WeakPolarHBondContact O-CB 3.43Å; Y68-M72 PolarHBondContact O-N 3.22Å; Y68-M72 VanDerWaalsContact OH-CE 3.25Å; Y68-M72 WeakPolarHBondContact OH-CE 3.45Å; Y68-I87 HydrophobicContact CE1-CD1 4.37Å; Y68-L124 HydrophobicContact CD1-CD2 3.5Å; Y68-L124 HydrophobicContact CE1-CD2 3.62Å; Y68-L124 HydrophobicContact CG-CD2 4.25Å
69	F	95.4	Very high	91.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-69.4	-33.6	176.8	-71.4	-55.8	0	0	0	112.3	L48 L62 S66 M72 F73 I87 L124	L48-F69 HydrophobicContact CD1-CE1 4.05Å; L48-F69 HydrophobicContact CD1-CZ 3.72Å; L48-F69 HydrophobicContact CD2-CE1 4.15Å; L62-F69 HydrophobicContact CB-CB 3.81Å; L62-F69 HydrophobicContact CB-CD2 3.77Å; L62-F69 HydrophobicContact CB-CE2 4.5Å; L62-F69 HydrophobicContact CB-CG 3.81Å; L62-F69 HydrophobicContact CD1-CD1 4.4Å; L62-F69 HydrophobicContact CD1-CD2 4.44Å; L62-F69 HydrophobicContact CD1-CE1 4.46Å; L62-F69 HydrophobicContact CD1-CG 4.42Å; L62-F69 HydrophobicContact CD2-CD2 4.02Å; L62-F69 HydrophobicContact CD2-CE2 3.96Å; L62-F69 HydrophobicContact CG-CD2 4.28Å; S66-F69 PolarHBondContact O-N 3.43Å; S66-F69 WeakPolarHBondContact OG-CD2 3.4Å; S66-F69 PolarHBondContact OG-N 3.27Å; F69-M72 HydrophobicContact CD1-SD 4.1Å; F69-M72 HydrophobicContact CE1-SD 4.43Å; F69-M72 PolarHBondContact O-N 3.17Å; F69-F73 HydrophobicContact CB-CD2 4.18Å; F69-F73 HydrophobicContact CB-CE2 3.93Å; F69-F73 AromaticContact CD1-CE2 3.95Å; F69-F73 HydrophobicContact CD1-CE2 3.95Å; F69-F73 HydrophobicContact CD1-CZ 4.07Å; F69-F73 HydrophobicContact CG-CE2 4.24Å; F69-F73 WeakPolarHBondContact O-CB 3.38Å; F69-F73 WeakPolarHBondContact O-CD2 3.25Å; F69-F73 WeakPolarHBondContact O-CG 3.34Å; F69-F73 PolarHBondContact O-N 2.98Å; F69-I87 HydrophobicContact CE1-CD1 3.95Å; F69-I87 HydrophobicContact CZ-CD1 4.48Å; F69-L124 HydrophobicContact CE1-CD2 4.21Å; F69-L124 HydrophobicContact CE2-CD1 4.05Å; F69-L124 HydrophobicContact CE2-CD2 3.84Å; F69-L124 HydrophobicContact CE2-CG 4.35Å; F69-L124 HydrophobicContact CZ-CD1 4.14Å; F69-L124 HydrophobicContact CZ-CD2 3.56Å; F69-L124 HydrophobicContact CZ-CG 4.42Å
70	Q	94.7	Very high	91.2	Very high	104 Å²	104	60.7 Å²	60.7	49%	0.486	33%	0.334	S	S	.	.	H	α-helix	trans	-57.6	-51.5	173.9	-163.7	178.8	4.3	0	0	110.7	A63 S66 P67 Y68 F73 T74	A63-Q70 HydrophobicContact CB-CB 4.36Å; A63-Q70 HydrophobicContact CB-CG 4.49Å; A63-Q70 VanDerWaalsContact O-CB 3.31Å; A63-Q70 WeakPolarHBondContact O-CB 3.47Å; S66-Q70 WeakPolarHBondContact O-CB 3.48Å; S66-Q70 PolarHBondContact O-N 3.33Å; P67-Q70 WeakPolarHBondContact O-CB 3.35Å; P67-Q70 PolarHBondContact O-N 3.1Å; Y68-Q70 VanDerWaalsContact C-N 3.34Å; Q70-F73 PolarHBondContact O-N 2.91Å; Q70-T74 WeakPolarHBondContact O-CB 3.31Å; Q70-T74 WeakPolarHBondContact O-CG2 3.49Å; Q70-T74 PolarHBondContact O-N 3.48Å; Q70-T74 VanDerWaalsContact O-N 3.12Å; Q70-T74 PolarHBondContact O-OG1 3.1Å
71	A	92.9	Very high	90.9	Very high	37 Å²	37	65.4 Å²	65.4	31%	0.306	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-47.8	177.1	0	0	0	0	0	111.5	P67 Y68 F73 T74 L75	P67-A71 WeakPolarHBondContact O-CB 3.33Å; P67-A71 PolarHBondContact O-N 3.44Å; Y68-A71 PolarHBondContact O-N 3.12Å; A71-F73 VanDerWaalsContact C-N 3.28Å; A71-F73 PolarHBondContact O-N 3.06Å; A71-T74 PolarHBondContact O-N 2.92Å; A71-L75 HydrophobicContact CB-CD1 3.73Å; A71-L75 HydrophobicContact CB-CG 4.49Å; A71-L75 WeakPolarHBondContact O-CB 3.48Å; A71-L75 WeakPolarHBondContact O-CG 3.39Å; A71-L75 PolarHBondContact O-N 3.04Å; A71-L75 VanDerWaalsContact O-N 3.12Å
72	M	92.8	Very high	90.8	Very high	17 Å²	17	68 Å²	68	8%	0.084	36%	0.362	C	S	.	.	H	α-helix	trans	-57.8	-36.8	179.5	-178.2	-177.3	-78.3	0	0	113.3	Y68 F69 M77 E79 V85 I87	Y68-M72 HydrophobicContact CD1-CE 4.3Å; Y68-M72 HydrophobicContact CE1-CE 3.32Å; Y68-M72 HydrophobicContact CE1-SD 4.43Å; Y68-M72 VanDerWaalsContact CZ-CE 3.49Å; Y68-M72 WeakPolarHBondContact O-CB 3.43Å; Y68-M72 PolarHBondContact O-N 3.22Å; Y68-M72 VanDerWaalsContact OH-CE 3.25Å; Y68-M72 WeakPolarHBondContact OH-CE 3.45Å; F69-M72 HydrophobicContact CD1-SD 4.1Å; F69-M72 HydrophobicContact CE1-SD 4.43Å; F69-M72 PolarHBondContact O-N 3.17Å; M72-M77 WeakPolarHBondContact O-CB 3.09Å; M72-E79 HydrophobicContact CG-CB 3.55Å; M72-E79 HydrophobicContact CG-CG 4.13Å; M72-E79 HydrophobicContact SD-CB 4.04Å; M72-E79 HydrophobicContact SD-CG 4.27Å; M72-V85 HydrophobicContact CE-CG1 4.24Å; M72-V85 HydrophobicContact SD-CG1 3.76Å; M72-I87 HydrophobicContact CE-CD1 4.15Å
73	F	93.3	Very high	90.4	Very high	14 Å²	14	72.8 Å²	72.8	6%	0.061	39%	0.393	C	S	.	.	H	α-helix	trans	-99.8	-1.2	-175.3	-58.9	-39.2	0	0	0	114.9	V46 R59 L62 A63 F69 Q70 A71 E80 V85	V46-F73 HydrophobicContact CG2-CZ 4.36Å; R59-F73 HydrophobicContact CB-CD2 4.07Å; R59-F73 HydrophobicContact CB-CE2 4.24Å; R59-F73 HydrophobicContact CG-CD2 4.12Å; R59-F73 HydrophobicContact CG-CE1 4.44Å; R59-F73 HydrophobicContact CG-CE2 4.02Å; R59-F73 HydrophobicContact CG-CG 4.39Å; R59-F73 HydrophobicContact CG-CZ 4.19Å; L62-F73 HydrophobicContact CB-CE2 4.1Å; L62-F73 HydrophobicContact CD1-CE2 4.04Å; L62-F73 HydrophobicContact CD1-CZ 4.39Å; A63-F73 HydrophobicContact CB-CD2 4.42Å; F69-F73 HydrophobicContact CB-CD2 4.18Å; F69-F73 HydrophobicContact CB-CE2 3.93Å; F69-F73 AromaticContact CD1-CE2 3.95Å; F69-F73 HydrophobicContact CD1-CE2 3.95Å; F69-F73 HydrophobicContact CD1-CZ 4.07Å; F69-F73 HydrophobicContact CG-CE2 4.24Å; F69-F73 WeakPolarHBondContact O-CB 3.38Å; F69-F73 WeakPolarHBondContact O-CD2 3.25Å; F69-F73 WeakPolarHBondContact O-CG 3.34Å; F69-F73 PolarHBondContact O-N 2.98Å; Q70-F73 PolarHBondContact O-N 2.91Å; A71-F73 VanDerWaalsContact C-N 3.28Å; A71-F73 PolarHBondContact O-N 3.06Å; F73-E80 WeakPolarHBondContact O-CG 3.4Å; F73-V85 HydrophobicContact CE1-CG2 4.48Å
74	T	88.5	Confident	90.4	Very high	86 Å²	86	75.9 Å²	75.9	53%	0.528	40%	0.404	S	S	.	.	H	α-helix	trans	-129.9	-12.7	-175.9	63.8	0	0	0	0	115.3	Q70 A71	Q70-T74 WeakPolarHBondContact O-CB 3.31Å; Q70-T74 WeakPolarHBondContact O-CG2 3.49Å; Q70-T74 PolarHBondContact O-N 3.48Å; Q70-T74 VanDerWaalsContact O-N 3.12Å; Q70-T74 PolarHBondContact O-OG1 3.1Å; A71-T74 PolarHBondContact O-N 2.92Å
75	L	85.4	Confident	90.5	Very high	128 Å²	128	69.2 Å²	69.2	67%	0.67	37%	0.37	S	S	*	.	S	Bend	trans	-99.3	24.6	-175.9	-61.3	177.4	0	0	0	114	A71 M77	A71-L75 HydrophobicContact CB-CD1 3.73Å; A71-L75 HydrophobicContact CB-CG 4.49Å; A71-L75 WeakPolarHBondContact O-CB 3.48Å; A71-L75 WeakPolarHBondContact O-CG 3.39Å; A71-L75 PolarHBondContact O-N 3.04Å; A71-L75 VanDerWaalsContact O-N 3.12Å; L75-M77 VanDerWaalsContact C-N 3.3Å; L75-M77 PolarHBondContact O-N 2.98Å
76	G	79.7	Confident	90.4	Very high	65 Å²	65	73.8 Å²	73.8	67%	0.67	39%	0.386	S	S	*	.	S	Bend	trans	71.8	22.3	176.9	0	0	0	0	0	114.2	E80	G76-E80 WeakPolarHBondContact CA-OE2 3.25Å; G76-E80 PolarHBondContact N-OE2 3.32Å; G76-E80 VanDerWaalsContact N-OE2 3.09Å
77	M	84.7	Confident	90.3	Very high	99 Å²	99	74 Å²	74	49%	0.488	39%	0.387	S	S	.	.			trans	-71.7	155.8	176.6	-63.9	-71.4	-75.5	0	0	110.4	M72 L75 E79 E80	M72-M77 WeakPolarHBondContact O-CB 3.09Å; L75-M77 VanDerWaalsContact C-N 3.3Å; L75-M77 PolarHBondContact O-N 2.98Å; M77-E79 WeakPolarHBondContact CB-OE2 3.48Å; M77-E79 PolarHBondContact O-N 3.42Å; M77-E80 WeakPolarHBondContact O-CB 3.35Å; M77-E80 PolarHBondContact O-N 3.38Å
78	R	82.4	Confident	90	Very high	201 Å²	201	76.6 Å²	76.6	76%	0.758	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-62	-34.4	-178.6	-65.9	178	73.3	173.3	2.2	111.4	E80 L81 Q82	R78-E80 PolarHBondContact O-N 2.9Å; R78-L81 PolarHBondContact O-N 2.92Å; R78-Q82 WeakPolarHBondContact O-CG 3.38Å
79	E	87.4	Confident	89.7	Confident	54 Å²	54	75.7 Å²	75.7	25%	0.252	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-59.2	-22.9	176.5	-64.7	75.4	-171.2	0	0	111.6	R59 M72 M77 L81 Q82 V85	R59-E79 PolarHBondContact NH2-O 2.82Å; M72-E79 HydrophobicContact CG-CB 3.55Å; M72-E79 HydrophobicContact CG-CG 4.13Å; M72-E79 HydrophobicContact SD-CB 4.04Å; M72-E79 HydrophobicContact SD-CG 4.27Å; M77-E79 WeakPolarHBondContact CB-OE2 3.48Å; M77-E79 PolarHBondContact O-N 3.42Å; E79-L81 PolarHBondContact O-N 3.3Å; E79-Q82 PolarHBondContact O-N 2.9Å; E79-V85 HydrophobicContact CB-CG1 4.26Å; E79-V85 HydrophobicContact CB-CG2 4.14Å; E79-V85 HydrophobicContact CG-CG1 3.85Å; E79-V85 HydrophobicContact CG-CG2 4.43Å
80	E	86.6	Confident	89.6	Confident	67 Å²	67	76.2 Å²	76.2	31%	0.313	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-60.5	-29.8	176	-176.4	176.7	161.2	0	0	112.9	R59 F73 G76 M77 R78	R59-E80 PolarHBondContact NH1-O 3.23Å; R59-E80 PolarHBondContact NH2-O 3.23Å; F73-E80 WeakPolarHBondContact O-CG 3.4Å; G76-E80 WeakPolarHBondContact CA-OE2 3.25Å; G76-E80 PolarHBondContact N-OE2 3.32Å; G76-E80 VanDerWaalsContact N-OE2 3.09Å; M77-E80 WeakPolarHBondContact O-CB 3.35Å; M77-E80 PolarHBondContact O-N 3.38Å; R78-E80 PolarHBondContact O-N 2.9Å
81	L	86.6	Confident	89.6	Confident	158 Å²	158	72.5 Å²	72.5	83%	0.827	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-110	-1.5	-179	-62.2	173.9	0	0	0	112.9	R78 E79	R78-L81 PolarHBondContact O-N 2.92Å; E79-L81 PolarHBondContact O-N 3.3Å
82	Q	90.5	Very high	89.8	Confident	67 Å²	67	72.1 Å²	72.1	31%	0.313	40%	0.396	S	S	.	.			trans	-83	132.6	-178.6	-74.9	176.3	-11.8	0	0	111.3	R59 R78 E79 E84 V85	R59-Q82 PolarHBondContact NH2-O 3.32Å; R78-Q82 WeakPolarHBondContact O-CG 3.38Å; E79-Q82 PolarHBondContact O-N 2.9Å; Q82-E84 VanDerWaalsContact C-N 3.26Å; Q82-V85 HydrophobicContact CB-CG2 4.23Å
83	P	88.9	Confident	89.9	Confident	100 Å²	100	74.2 Å²	74.2	65%	0.649	41%	0.41	S	S	*	.	S	Bend	trans	-74.9	-20.7	173.3	31.2	-34.8	0	0	0	111.9	V47	V47-P83 PolarHBondContact N-O 3.09Å
84	E	94.4	Very high	90	Very high	82 Å²	82	73.6 Å²	73.6	38%	0.383	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122.8	-178.9	-172.6	170.2	158.9	0	0	109.7	V47 V49 R54 Q82	V47-E84 HydrophobicContact CB-CB 4.48Å; V47-E84 HydrophobicContact CB-CG 4.33Å; V47-E84 HydrophobicContact CG1-CG 4.5Å; V47-E84 CarbonylContact O-C 3.54Å; V47-E84 VanDerWaalsContact O-CA 3.29Å; V47-E84 WeakPolarHBondContact O-CA 3.39Å; V49-E84 HydrophobicContact CG2-CG 3.6Å; V49-E84 VanDerWaalsContact CG2-OE1 3.29Å; V49-E84 WeakPolarHBondContact CG2-OE1 3.45Å; R54-E84 IonicContact CZ-OE1 2.78Å; R54-E84 IonicContact CZ-OE2 3.49Å; R54-E84 IonicContact NH1-OE1 3.3Å; R54-E84 PolarHBondContact NH1-OE1 3.31Å; R54-E84 IonicContact NH1-OE2 3.66Å; R54-E84 PolarHBondContact NH1-OE2 2.61Å; R54-E84 IonicContact NH2-OE1 3.45Å; R54-E84 IonicContact NH2-OE2 3.3Å; R54-E84 PolarHBondContact NH2-OE2 2.86Å; Q82-E84 VanDerWaalsContact C-N 3.26Å
85	V	94.1	Very high	90.4	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.006	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.6	-174.4	179.5	0	0	0	0	109.4	V46 V47 L48 V49 M72 F73 E79 Q82 I87	V46-V85 HydrophobicContact CG2-CG2 3.98Å; V47-V85 PolarHBondContact O-N 2.86Å; L48-V85 CarbonylContact C-O 3.57Å; L48-V85 WeakPolarHBondContact CA-O 3.37Å; L48-V85 HydrophobicContact CD2-CB 4.13Å; V49-V85 PolarHBondContact N-O 3.09Å; M72-V85 HydrophobicContact CE-CG1 4.24Å; M72-V85 HydrophobicContact SD-CG1 3.76Å; F73-V85 HydrophobicContact CE1-CG2 4.48Å; E79-V85 HydrophobicContact CB-CG1 4.26Å; E79-V85 HydrophobicContact CB-CG2 4.14Å; E79-V85 HydrophobicContact CG-CG1 3.85Å; E79-V85 HydrophobicContact CG-CG2 4.43Å; Q82-V85 HydrophobicContact CB-CG2 4.23Å; V85-I87 HydrophobicContact CG1-CD1 4.02Å
86	Q	93.4	Very high	90.9	Very high	148 Å²	148	66 Å²	66	69%	0.692	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	120.3	177.8	-171.7	170.4	7.5	0	0	110.4	V88	Q86-V88 HydrophobicContact CG-CG2 4.27Å
87	I	93.9	Very high	91.7	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.021	34%	0.338	C	S	.	.			trans	-94.4	106.2	174.9	-53.1	-56.9	0	0	0	107.8	L48 V49 Y68 F69 M72 V85 V90 L123 L124	L48-I87 HydrophobicContact CB-CG1 4.4Å; L48-I87 HydrophobicContact CD2-CD1 4.3Å; L48-I87 HydrophobicContact CD2-CG1 4.34Å; V49-I87 PolarHBondContact O-N 3.37Å; Y68-I87 HydrophobicContact CE1-CD1 4.37Å; F69-I87 HydrophobicContact CE1-CD1 3.95Å; F69-I87 HydrophobicContact CZ-CD1 4.48Å; M72-I87 HydrophobicContact CE-CD1 4.15Å; V85-I87 HydrophobicContact CG1-CD1 4.02Å; I87-V90 HydrophobicContact CG2-CB 4.16Å; I87-V90 HydrophobicContact CG2-CG2 3.7Å; I87-L123 HydrophobicContact CG2-CD2 4.41Å; I87-L124 HydrophobicContact CG2-CD2 4.34Å
88	V	90.2	Very high	92.3	Very high	112 Å²	112	59.2 Å²	59.2	68%	0.679	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	138.7	-179.1	-175.8	0	0	0	0	109.4	Q86 L123	Q86-V88 HydrophobicContact CG-CG2 4.27Å; V88-L123 WeakPolarHBondContact O-CD2 3.44Å
89	G	86.9	Confident	92.9	Very high	46 Å²	46	49.6 Å²	49.6	47%	0.474	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	22.7	177.6	0	0	0	0	0	114.6
90	V	93.8	Very high	93.3	Very high	11 Å²	11	50.5 Å²	50.5	7%	0.067	29%	0.285	C	S	.	.			trans	-134.8	139	173.5	-170.5	0	0	0	0	109.6	I87 L95 A120 L123	I87-V90 HydrophobicContact CG2-CB 4.16Å; I87-V90 HydrophobicContact CG2-CG2 3.7Å; V90-L95 HydrophobicContact CG1-CB 4.01Å; V90-A120 HydrophobicContact CG1-CB 3.36Å; V90-L123 HydrophobicContact CG2-CB 4.36Å; V90-L123 HydrophobicContact CG2-CD2 3.26Å; V90-L123 HydrophobicContact CG2-CG 4.41Å
91	S	95.9	Very high	93.7	Very high	25 Å²	25	48.5 Å²	48.5	18%	0.175	28%	0.276	C	S	.	.			trans	-74.7	158.3	172.5	75.6	0	0	0	0	112	V93 G94 L95 D116	S91-V93 VanDerWaalsContact C-N 3.26Å; S91-V93 PolarHBondContact O-N 2.91Å; S91-G94 PolarHBondContact O-N 3.38Å; S91-G94 PolarHBondContact OG-N 3.29Å; S91-G94 VanDerWaalsContact OG-N 3.13Å; S91-L95 WeakPolarHBondContact O-CB 3.28Å; S91-L95 PolarHBondContact O-N 2.64Å; S91-L95 VanDerWaalsContact O-N 3.09Å; S91-D116 WeakPolarHBondContact CB-OD1 3.19Å; S91-D116 VanDerWaalsContact OG-CB 3.31Å; S91-D116 WeakPolarHBondContact OG-CB 3.47Å; S91-D116 PolarHBondContact OG-OD1 3.21Å
92	S	95.7	Very high	94.2	Very high	29 Å²	29	41.7 Å²	41.7	20%	0.203	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-32.7	176.1	53.1	0	0	0	0	112.2	F55 E96	F55-S92 WeakPolarHBondContact CZ-O 3.34Å; S92-E96 VanDerWaalsContact O-CB 3.25Å; S92-E96 WeakPolarHBondContact O-CB 3.34Å; S92-E96 PolarHBondContact O-N 3.4Å
93	V	95.9	Very high	94.3	Very high	62 Å²	62	38.6 Å²	38.6	38%	0.376	23%	0.225	S	C	.	.	H	α-helix	trans	-67.4	-49.1	177.7	178.9	0	0	0	0	110.8	S91 E96 A97 N113 D116	S91-V93 VanDerWaalsContact C-N 3.26Å; S91-V93 PolarHBondContact O-N 2.91Å; V93-E96 PolarHBondContact O-N 3.21Å; V93-A97 PolarHBondContact O-N 3.5Å; V93-A97 VanDerWaalsContact O-N 3.08Å; V93-N113 HydrophobicContact CG1-CB 4.18Å; V93-D116 HydrophobicContact CB-CB 4.38Å; V93-D116 HydrophobicContact CG1-CB 4.43Å
94	G	95.9	Very high	94.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-45.3	179.8	0	0	0	0	0	112.3	S91 E96 V98 D116	S91-G94 PolarHBondContact O-N 3.38Å; S91-G94 PolarHBondContact OG-N 3.29Å; S91-G94 VanDerWaalsContact OG-N 3.13Å; G94-E96 PolarHBondContact O-N 3.05Å; G94-V98 WeakPolarHBondContact O-CB 3.45Å; G94-V98 VanDerWaalsContact O-CG2 3.3Å; G94-V98 WeakPolarHBondContact O-CG2 3.17Å; G94-V98 PolarHBondContact O-N 2.99Å; G94-D116 WeakPolarHBondContact CA-O 3.15Å
95	L	96.6	Very high	94.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-41.6	177.9	-176.7	62.5	0	0	0	111.9	L48 A50 F55 V90 S91 V98 L99 L124	L48-L95 HydrophobicContact CB-CD2 4.13Å; L48-L95 HydrophobicContact CD1-CD1 4.38Å; A50-L95 HydrophobicContact CB-CB 4.21Å; A50-L95 HydrophobicContact CB-CD2 3.52Å; F55-L95 HydrophobicContact CD2-CD2 3.69Å; F55-L95 HydrophobicContact CD2-CG 4.33Å; F55-L95 HydrophobicContact CE2-CD2 3.99Å; F55-L95 HydrophobicContact CE2-CG 4.47Å; F55-L95 HydrophobicContact CG-CD2 4.45Å; V90-L95 HydrophobicContact CG1-CB 4.01Å; S91-L95 WeakPolarHBondContact O-CB 3.28Å; S91-L95 PolarHBondContact O-N 2.64Å; S91-L95 VanDerWaalsContact O-N 3.09Å; L95-V98 PolarHBondContact O-N 2.87Å; L95-L99 HydrophobicContact CD1-CD1 4.17Å; L95-L99 HydrophobicContact CD1-CG 4.07Å; L95-L99 HydrophobicContact CG-CD1 3.92Å; L95-L99 HydrophobicContact CG-CG 4.26Å; L95-L99 WeakPolarHBondContact O-CB 3.2Å; L95-L99 WeakPolarHBondContact O-CG 3.23Å; L95-L99 PolarHBondContact O-N 3.33Å; L95-L124 HydrophobicContact CD1-CD1 3.76Å
96	E	95.9	Very high	94.2	Very high	55 Å²	55	41 Å²	41	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-60.6	-51.9	178.3	-173.2	165.7	-153.9	0	0	111.6	R53 F55 S92 V93 G94 V98 L99 D100	R53-E96 IonicContact CZ-OE1 3.16Å; R53-E96 IonicContact CZ-OE2 2.84Å; R53-E96 IonicContact NH1-OE1 2.73Å; R53-E96 IonicContact NH1-OE2 3.14Å; R53-E96 PolarHBondContact NH1-OE2 3.44Å; R53-E96 VanDerWaalsContact NH2-CD 3.34Å; R53-E96 IonicContact NH2-OE1 2.81Å; R53-E96 PolarHBondContact NH2-OE1 2.8Å; R53-E96 IonicContact NH2-OE2 3.31Å; R53-E96 PolarHBondContact NH2-OE2 2.84Å; F55-E96 HydrophobicContact CD1-CB 4.46Å; F55-E96 HydrophobicContact CE1-CB 3.61Å; F55-E96 HydrophobicContact CE1-CG 3.91Å; F55-E96 HydrophobicContact CZ-CB 4.07Å; S92-E96 VanDerWaalsContact O-CB 3.25Å; S92-E96 WeakPolarHBondContact O-CB 3.34Å; S92-E96 PolarHBondContact O-N 3.4Å; V93-E96 PolarHBondContact O-N 3.21Å; G94-E96 PolarHBondContact O-N 3.05Å; E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 3.39Å; E96-L99 PolarHBondContact O-N 2.74Å; E96-D100 WeakPolarHBondContact O-CB 3.49Å; E96-D100 VanDerWaalsContact O-CG 3.25Å; E96-D100 PolarHBondContact O-N 3.32Å
97	A	96.8	Very high	94.4	Very high	21 Å²	21	35.3 Å²	35.3	17%	0.174	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-41.4	-180	0	0	0	0	0	112.4	V93 D100 F101 L107 V117	V93-A97 PolarHBondContact O-N 3.5Å; V93-A97 VanDerWaalsContact O-N 3.08Å; A97-D100 PolarHBondContact O-N 2.79Å; A97-F101 WeakPolarHBondContact O-CB 3.36Å; A97-F101 PolarHBondContact O-N 3.49Å; A97-L107 HydrophobicContact CB-CD1 4.49Å; A97-V117 HydrophobicContact CB-CG2 3.69Å
98	V	96.8	Very high	94.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-45.7	175.9	163	0	0	0	0	111.5	G94 L95 E96 D100 F101 L102 V117 A120 A121 L124 L126	G94-V98 WeakPolarHBondContact O-CB 3.45Å; G94-V98 VanDerWaalsContact O-CG2 3.3Å; G94-V98 WeakPolarHBondContact O-CG2 3.17Å; G94-V98 PolarHBondContact O-N 2.99Å; L95-V98 PolarHBondContact O-N 2.87Å; E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 3.39Å; V98-D100 VanDerWaalsContact C-N 3.33Å; V98-D100 PolarHBondContact O-N 3.06Å; V98-F101 WeakPolarHBondContact O-CB 3.49Å; V98-F101 PolarHBondContact O-N 3.09Å; V98-L102 WeakPolarHBondContact O-CG 3.43Å; V98-L102 PolarHBondContact O-N 3.05Å; V98-V117 HydrophobicContact CG2-CG1 4.35Å; V98-A120 HydrophobicContact CG2-CB 3.8Å; V98-A121 HydrophobicContact CG2-CB 4.19Å; V98-L124 HydrophobicContact CG1-CD1 4.05Å; V98-L126 HydrophobicContact CB-CD1 4.45Å; V98-L126 HydrophobicContact CG1-CD1 3.09Å
99	L	95.6	Very high	94.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-43.7	176.7	-72.7	174.2	0	0	0	110.7	R38 L48 F55 L62 L95 E96 F101 L102 Y103	R38-L99 PolarHBondContact NH1-O 3.31Å; R38-L99 VanDerWaalsContact NH2-CB 3.32Å; L48-L99 HydrophobicContact CD1-CD1 4.32Å; L48-L99 HydrophobicContact CD1-CD2 4.08Å; F55-L99 HydrophobicContact CB-CD1 3.65Å; F55-L99 HydrophobicContact CD1-CD1 4.3Å; F55-L99 HydrophobicContact CG-CD1 4.01Å; L62-L99 HydrophobicContact CD2-CD2 3.51Å; L95-L99 HydrophobicContact CD1-CD1 4.17Å; L95-L99 HydrophobicContact CD1-CG 4.07Å; L95-L99 HydrophobicContact CG-CD1 3.92Å; L95-L99 HydrophobicContact CG-CG 4.26Å; L95-L99 WeakPolarHBondContact O-CB 3.2Å; L95-L99 WeakPolarHBondContact O-CG 3.23Å; L95-L99 PolarHBondContact O-N 3.33Å; E96-L99 PolarHBondContact O-N 2.74Å; L99-F101 PolarHBondContact O-N 3.34Å; L99-L102 HydrophobicContact CD2-CD1 4.47Å; L99-L102 WeakPolarHBondContact O-CB 3.4Å; L99-L102 PolarHBondContact O-N 3.5Å; L99-Y103 VanDerWaalsContact O-CD2 3.28Å; L99-Y103 WeakPolarHBondContact O-CD2 3.39Å; L99-Y103 PolarHBondContact O-N 2.83Å
100	D	94.7	Very high	95	Very high	72 Å²	72	40 Å²	40	39%	0.385	23%	0.227	S	C	.	.	H	α-helix	trans	-62.5	-36.1	177.9	-69.2	-6	0	0	0	111.4	R38 E96 A97 V98 Y103 S104	R38-D100 IonicContact CZ-OD1 3.94Å; R38-D100 IonicContact NH1-OD1 3.86Å; R38-D100 PolarHBondContact NH1-OD1 3.49Å; R38-D100 IonicContact NH2-OD1 2.73Å; R38-D100 PolarHBondContact NH2-OD1 3.03Å; E96-D100 WeakPolarHBondContact O-CB 3.49Å; E96-D100 VanDerWaalsContact O-CG 3.25Å; E96-D100 PolarHBondContact O-N 3.32Å; A97-D100 PolarHBondContact O-N 2.79Å; V98-D100 VanDerWaalsContact C-N 3.33Å; V98-D100 PolarHBondContact O-N 3.06Å; D100-Y103 PolarHBondContact O-N 3.25Å; D100-S104 WeakPolarHBondContact O-CB 3.3Å; D100-S104 PolarHBondContact O-N 2.96Å; D100-S104 PolarHBondContact O-OG 2.9Å
101	F	96.2	Very high	94.7	Very high	26 Å²	26	42.4 Å²	42.4	11%	0.114	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-42.5	170.4	170.7	-113.6	0	0	0	112.9	A97 V98 L99 Y103 S104 G105 Q106 L107 R128 A129 F132	A97-F101 WeakPolarHBondContact O-CB 3.36Å; A97-F101 PolarHBondContact O-N 3.49Å; V98-F101 WeakPolarHBondContact O-CB 3.49Å; V98-F101 PolarHBondContact O-N 3.09Å; L99-F101 PolarHBondContact O-N 3.34Å; F101-Y103 VanDerWaalsContact C-N 3.25Å; F101-Y103 PolarHBondContact O-N 2.93Å; F101-S104 PolarHBondContact O-N 3.5Å; F101-G105 VanDerWaalsContact O-CA 3.32Å; F101-G105 WeakPolarHBondContact O-CA 3.32Å; F101-G105 PolarHBondContact O-N 3.41Å; F101-Q106 WeakPolarHBondContact CA-O 3.33Å; F101-L107 HydrophobicContact CB-CB 4.28Å; F101-L107 HydrophobicContact CB-CD1 3.91Å; F101-L107 HydrophobicContact CD2-CB 3.83Å; F101-L107 HydrophobicContact CE2-CB 4.49Å; F101-L107 HydrophobicContact CG-CB 4.17Å; F101-L107 HydrophobicContact CG-CD1 4.41Å; F101-R128 HydrophobicContact CE1-CB 4.47Å; F101-R128 HydrophobicContact CZ-CB 4.27Å; F101-A129 HydrophobicContact CD1-CB 4.04Å; F101-A129 HydrophobicContact CE1-CB 3.99Å; F101-F132 HydrophobicContact CE2-CD2 4.28Å; F101-F132 AromaticContact CE2-CE2 3.8Å; F101-F132 HydrophobicContact CE2-CE2 3.8Å; F101-F132 HydrophobicContact CZ-CD2 4.43Å; F101-F132 HydrophobicContact CZ-CE2 4.01Å
102	L	95.3	Very high	94.5	Very high	14 Å²	14	44.3 Å²	44.3	7%	0.073	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-33.9	178.4	-67.5	-172.1	0	0	0	113.3	L62 C65 V98 L99 L126	L62-L102 HydrophobicContact CD2-CD1 3.71Å; C65-L102 HydrophobicContact CB-CD1 4.29Å; C65-L102 HydrophobicContact CB-CD2 3.46Å; C65-L102 VanDerWaalsContact CB-CD2 3.46Å; C65-L102 HydrophobicContact CB-CG 4.37Å; V98-L102 WeakPolarHBondContact O-CG 3.43Å; V98-L102 PolarHBondContact O-N 3.05Å; L99-L102 HydrophobicContact CD2-CD1 4.47Å; L99-L102 WeakPolarHBondContact O-CB 3.4Å; L99-L102 PolarHBondContact O-N 3.5Å; L102-L126 HydrophobicContact CD1-CD1 4.36Å; L102-L126 HydrophobicContact CD2-CD1 4Å; L102-L126 HydrophobicContact CD2-CD2 3.74Å; L102-L126 HydrophobicContact CG-CD1 4.33Å
103	Y	94.1	Very high	94.4	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-94.3	-27.1	-177.6	-75.4	-95.5	0	0	0	113.6	F34 R38 H58 V61 L99 D100 F101	F34-Y103 HydrophobicContact CB-CD1 3.95Å; F34-Y103 HydrophobicContact CB-CE1 3.95Å; R38-Y103 HydrophobicContact CB-CD1 4.5Å; R38-Y103 HydrophobicContact CB-CE1 4.26Å; H58-Y103 WeakPolarHBondContact CB-OH 3.2Å; H58-Y103 PolarHBondContact N-OH 3.23Å; H58-Y103 AromaticContact ND1-CE1 3.47Å; H58-Y103 WeakPolarHBondContact ND1-CE1 3.16Å; H58-Y103 AromaticContact ND1-CZ 3.67Å; H58-Y103 PolarHBondContact ND1-OH 3.4Å; H58-Y103 VanDerWaalsContact ND1-OH 3.07Å; V61-Y103 HydrophobicContact CB-CE1 4.25Å; V61-Y103 HydrophobicContact CG1-CD1 4.48Å; V61-Y103 HydrophobicContact CG1-CD2 4.44Å; V61-Y103 HydrophobicContact CG1-CE1 4.04Å; V61-Y103 HydrophobicContact CG1-CE2 3.99Å; V61-Y103 HydrophobicContact CG2-CE1 4.04Å; L99-Y103 VanDerWaalsContact O-CD2 3.28Å; L99-Y103 WeakPolarHBondContact O-CD2 3.39Å; L99-Y103 PolarHBondContact O-N 2.83Å; D100-Y103 PolarHBondContact O-N 3.25Å; F101-Y103 VanDerWaalsContact C-N 3.25Å; F101-Y103 PolarHBondContact O-N 2.93Å
104	S	91.7	Very high	94.3	Very high	50 Å²	50	41.3 Å²	41.3	35%	0.35	26%	0.257	S	S	.	.	H	α-helix	trans	-103.2	-22.9	-176.7	70.9	0	0	0	0	114.4	D100 F101 Q106	D100-S104 WeakPolarHBondContact O-CB 3.3Å; D100-S104 PolarHBondContact O-N 2.96Å; D100-S104 PolarHBondContact O-OG 2.9Å; F101-S104 PolarHBondContact O-N 3.5Å; S104-Q106 PolarHBondContact O-N 3.08Å; S104-Q106 PolarHBondContact OG-N 3.17Å; S104-Q106 PolarHBondContact OG-O 2.66Å
105	G	90.6	Very high	94.2	Very high	51 Å²	51	45.7 Å²	45.7	53%	0.526	28%	0.281	S	S	.	.	S	Bend	trans	70.7	8	-167.8	0	0	0	0	0	114.3	F101	F101-G105 VanDerWaalsContact O-CA 3.32Å; F101-G105 WeakPolarHBondContact O-CA 3.32Å; F101-G105 PolarHBondContact O-N 3.41Å
106	Q	93	Very high	94.2	Very high	133 Å²	133	47.9 Å²	47.9	62%	0.621	29%	0.293	S	S	*	.			trans	-117.4	131.8	-179.3	-61.6	-176.1	-8.3	0	0	110.4	F101 S104	F101-Q106 WeakPolarHBondContact CA-O 3.33Å; S104-Q106 PolarHBondContact O-N 3.08Å; S104-Q106 PolarHBondContact OG-N 3.17Å; S104-Q106 PolarHBondContact OG-O 2.66Å
107	L	96.1	Very high	94.2	Very high	29 Å²	29	45.3 Å²	45.3	15%	0.152	28%	0.28	C	S	.	.			trans	-119.7	120	176.4	-174.1	67.3	0	0	0	108.9	A97 F101 L109 V117 A129 F132	A97-L107 HydrophobicContact CB-CD1 4.49Å; F101-L107 HydrophobicContact CB-CB 4.28Å; F101-L107 HydrophobicContact CB-CD1 3.91Å; F101-L107 HydrophobicContact CD2-CB 3.83Å; F101-L107 HydrophobicContact CE2-CB 4.49Å; F101-L107 HydrophobicContact CG-CB 4.17Å; F101-L107 HydrophobicContact CG-CD1 4.41Å; L107-L109 HydrophobicContact CD2-CD1 4.15Å; L107-L109 HydrophobicContact CD2-CD2 3.99Å; L107-L109 HydrophobicContact CD2-CG 4.12Å; L107-L109 HydrophobicContact CG-CD2 4.04Å; L107-L109 HydrophobicContact CG-CG 4.08Å; L107-V117 HydrophobicContact CD1-CG1 3.96Å; L107-V117 HydrophobicContact CD2-CG1 4.16Å; L107-A129 HydrophobicContact CD2-CB 3.98Å; L107-F132 HydrophobicContact CB-CD2 4.27Å; L107-F132 HydrophobicContact CD2-CB 4.02Å; L107-F132 HydrophobicContact CD2-CD2 4.25Å
108	Q	94.4	Very high	94.2	Very high	146 Å²	146	44.3 Å²	44.3	68%	0.682	27%	0.272	S	S	*	.			trans	-96.3	121.1	176.5	-62.8	-64.2	-20.8	0	0	108.9	N113	Q108-N113 PolarHBondContact O-ND2 3.06Å
109	L	95.6	Very high	94.2	Very high	33 Å²	33	47.8 Å²	47.8	17%	0.173	29%	0.288	C	S	.	.			trans	-120.5	135.2	-177.4	-65.3	174.7	0	0	0	110.6	L107 N113 V117 F132 Y136	L107-L109 HydrophobicContact CD2-CD1 4.15Å; L107-L109 HydrophobicContact CD2-CD2 3.99Å; L107-L109 HydrophobicContact CD2-CG 4.12Å; L107-L109 HydrophobicContact CG-CD2 4.04Å; L107-L109 HydrophobicContact CG-CG 4.08Å; L109-N113 WeakPolarHBondContact CA-OD1 3.46Å; L109-V117 HydrophobicContact CD2-CB 4.09Å; L109-V117 HydrophobicContact CD2-CG1 3.82Å; L109-V117 HydrophobicContact CD2-CG2 4.25Å; L109-F132 HydrophobicContact CD1-CB 4.26Å; L109-F132 WeakPolarHBondContact CD1-O 3.46Å; L109-Y136 HydrophobicContact CB-CD1 4.44Å; L109-Y136 HydrophobicContact CB-CD2 4.03Å; L109-Y136 HydrophobicContact CB-CE2 4.48Å; L109-Y136 HydrophobicContact CB-CG 4.01Å; L109-Y136 HydrophobicContact CD1-CG 4.34Å
110	D	93.8	Very high	94.2	Very high	81 Å²	81	47.8 Å²	47.8	43%	0.433	29%	0.288	S	S	.	.			trans	-143.1	173.8	172.8	64.1	49.9	0	0	0	110.9	G112 N113 V114 Y136	D110-G112 PolarHBondContact O-N 3.06Å; D110-G112 WeakPolarHBondContact OD1-CA 3.25Å; D110-G112 PolarHBondContact OD1-N 3.04Å; D110-N113 PolarHBondContact N-OD1 3.39Å; D110-N113 PolarHBondContact O-N 3.37Å; D110-N113 PolarHBondContact O-OD1 3.49Å; D110-N113 VanDerWaalsContact O-OD1 3.12Å; D110-N113 PolarHBondContact OD1-N 3.22Å; D110-V114 WeakPolarHBondContact O-CB 3.22Å; D110-V114 PolarHBondContact O-N 2.98Å; D110-V114 VanDerWaalsContact O-N 3.12Å; D110-Y136 VanDerWaalsContact C-OH 3.3Å; D110-Y136 WeakPolarHBondContact CA-OH 3.44Å
111	G	88.2	Confident	94.3	Very high	61 Å²	61	44.3 Å²	44.3	63%	0.629	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.1	-177.5	0	0	0	0	0	114.5	Y136	G111-Y136 PolarHBondContact N-OH 3.21Å; G111-Y136 VanDerWaalsContact N-OH 3.1Å
112	G	90.8	Very high	94.3	Very high	65 Å²	65	45.8 Å²	45.8	67%	0.67	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-20.4	176.9	0	0	0	0	0	113.6	D110	D110-G112 PolarHBondContact O-N 3.06Å; D110-G112 WeakPolarHBondContact OD1-CA 3.25Å; D110-G112 PolarHBondContact OD1-N 3.04Å
113	N	94.4	Very high	94.4	Very high	21 Å²	21	48.1 Å²	48.1	11%	0.112	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-14.9	-175.4	79.4	1.6	0	0	0	114.9	V93 Q108 L109 D110 D115 D116 V117	V93-N113 HydrophobicContact CG1-CB 4.18Å; Q108-N113 PolarHBondContact O-ND2 3.06Å; L109-N113 WeakPolarHBondContact CA-OD1 3.46Å; D110-N113 PolarHBondContact N-OD1 3.39Å; D110-N113 PolarHBondContact O-N 3.37Å; D110-N113 PolarHBondContact O-OD1 3.49Å; D110-N113 VanDerWaalsContact O-OD1 3.12Å; D110-N113 PolarHBondContact OD1-N 3.22Å; N113-D115 VanDerWaalsContact C-N 3.3Å; N113-D115 PolarHBondContact O-N 3.45Å; N113-D116 WeakPolarHBondContact O-CB 3.48Å; N113-D116 PolarHBondContact O-N 3.4Å; N113-V117 HydrophobicContact CB-CG2 4.38Å; N113-V117 WeakPolarHBondContact O-CG2 3.3Å; N113-V117 PolarHBondContact O-N 2.89Å
114	V	94.7	Very high	94.5	Very high	7 Å²	7	48 Å²	48	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-37.2	-169.9	64.3	0	0	0	0	113.3	D110 V117 L118 C133 Y136 L137	D110-V114 WeakPolarHBondContact O-CB 3.22Å; D110-V114 PolarHBondContact O-N 2.98Å; D110-V114 VanDerWaalsContact O-N 3.12Å; V114-V117 PolarHBondContact O-N 3.46Å; V114-L118 WeakPolarHBondContact O-CB 3.38Å; V114-L118 PolarHBondContact O-N 3.46Å; V114-C133 HydrophobicContact CG2-CB 4.4Å; V114-Y136 HydrophobicContact CB-CD1 4.26Å; V114-Y136 HydrophobicContact CB-CE1 4.27Å; V114-Y136 HydrophobicContact CG1-CE1 4.4Å; V114-Y136 HydrophobicContact CG2-CD1 3.95Å; V114-Y136 HydrophobicContact CG2-CE1 4.44Å; V114-L137 HydrophobicContact CG1-CD2 4.13Å; V114-L137 HydrophobicContact CG2-CD1 4.47Å; V114-L137 HydrophobicContact CG2-CD2 3.88Å; V114-L137 HydrophobicContact CG2-CG 4.08Å
115	D	93.3	Very high	94.7	Very high	93 Å²	93	49.5 Å²	49.5	50%	0.497	29%	0.29	S	S	.	.	H	α-helix	trans	-67.3	-46.7	-179.7	-62.5	-39.9	0	0	0	111.2	N113 V117 L118 E119	N113-D115 VanDerWaalsContact C-N 3.3Å; N113-D115 PolarHBondContact O-N 3.45Å; D115-V117 VanDerWaalsContact C-N 3.35Å; D115-V117 PolarHBondContact O-N 2.82Å; D115-L118 PolarHBondContact O-N 3.03Å; D115-E119 WeakPolarHBondContact O-CB 3.31Å; D115-E119 PolarHBondContact O-N 2.93Å
116	D	95.5	Very high	95	Very high	46 Å²	46	47.4 Å²	47.4	25%	0.246	27%	0.267	C	S	.	.	H	α-helix	trans	-59.4	-45.1	175.5	-75.4	-52.2	0	0	0	111.7	S91 V93 G94 N113 A120	S91-D116 WeakPolarHBondContact CB-OD1 3.19Å; S91-D116 VanDerWaalsContact OG-CB 3.31Å; S91-D116 WeakPolarHBondContact OG-CB 3.47Å; S91-D116 PolarHBondContact OG-OD1 3.21Å; V93-D116 HydrophobicContact CB-CB 4.38Å; V93-D116 HydrophobicContact CG1-CB 4.43Å; G94-D116 WeakPolarHBondContact CA-O 3.15Å; N113-D116 WeakPolarHBondContact O-CB 3.48Å; N113-D116 PolarHBondContact O-N 3.4Å; D116-A120 VanDerWaalsContact O-CB 3.3Å; D116-A120 WeakPolarHBondContact O-CB 3.49Å; D116-A120 PolarHBondContact O-N 3.18Å
117	V	97.1	Very high	95.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.3	-41.8	-179.6	176.8	0	0	0	0	110.8	A97 V98 L107 L109 N113 V114 D115 A120 A121	A97-V117 HydrophobicContact CB-CG2 3.69Å; V98-V117 HydrophobicContact CG2-CG1 4.35Å; L107-V117 HydrophobicContact CD1-CG1 3.96Å; L107-V117 HydrophobicContact CD2-CG1 4.16Å; L109-V117 HydrophobicContact CD2-CB 4.09Å; L109-V117 HydrophobicContact CD2-CG1 3.82Å; L109-V117 HydrophobicContact CD2-CG2 4.25Å; N113-V117 HydrophobicContact CB-CG2 4.38Å; N113-V117 WeakPolarHBondContact O-CG2 3.3Å; N113-V117 PolarHBondContact O-N 2.89Å; V114-V117 PolarHBondContact O-N 3.46Å; D115-V117 VanDerWaalsContact C-N 3.35Å; D115-V117 PolarHBondContact O-N 2.82Å; V117-A120 PolarHBondContact O-N 3.42Å; V117-A121 WeakPolarHBondContact O-CB 3.14Å; V117-A121 PolarHBondContact O-N 3.07Å
118	L	96.6	Very high	95.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-44.2	179.1	178.9	61.5	0	0	0	111.1	V114 D115 A121 H122 V130 C133 L137 V152 Y156 L158	V114-L118 WeakPolarHBondContact O-CB 3.38Å; V114-L118 PolarHBondContact O-N 3.46Å; D115-L118 PolarHBondContact O-N 3.03Å; L118-A121 PolarHBondContact O-N 2.95Å; L118-H122 VanDerWaalsContact O-CB 3.22Å; L118-H122 WeakPolarHBondContact O-CB 3.22Å; L118-H122 PolarHBondContact O-N 3.08Å; L118-V130 HydrophobicContact CD1-CG1 4.05Å; L118-V130 HydrophobicContact CD1-CG2 4.48Å; L118-C133 HydrophobicContact CB-CB 4.35Å; L118-C133 HydrophobicContact CD1-CB 3.93Å; L118-L137 HydrophobicContact CD2-CD1 4.33Å; L118-V152 HydrophobicContact CD2-CG1 3.7Å; L118-Y156 HydrophobicContact CD2-CD2 3.69Å; L118-Y156 HydrophobicContact CD2-CE2 3.87Å; L118-Y156 HydrophobicContact CD2-CG 4.42Å; L118-Y156 HydrophobicContact CG-CD2 4.06Å; L118-Y156 HydrophobicContact CG-CE2 4.11Å; L118-Y156 HydrophobicContact CG-CG 4.42Å; L118-L158 HydrophobicContact CD1-CD1 4.18Å; L118-L158 HydrophobicContact CD2-CD1 4.02Å
119	E	96.1	Very high	95.2	Very high	73 Å²	73	48.6 Å²	48.6	34%	0.341	26%	0.258	S	S	.	.	H	α-helix	trans	-58.3	-51.1	174.9	-174	178.3	-153.1	0	0	110.8	D115 H122 L123 Y156	D115-E119 WeakPolarHBondContact O-CB 3.31Å; D115-E119 PolarHBondContact O-N 2.93Å; E119-H122 PolarHBondContact O-N 3.34Å; E119-L123 WeakPolarHBondContact O-CB 3.38Å; E119-L123 PolarHBondContact O-N 3.48Å; E119-Y156 WeakPolarHBondContact CB-OH 3.35Å
120	A	96.9	Very high	95.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-50.2	178.2	0	0	0	0	0	112	V90 V98 D116 V117 H122 L123 L124	V90-A120 HydrophobicContact CG1-CB 3.36Å; V98-A120 HydrophobicContact CG2-CB 3.8Å; D116-A120 VanDerWaalsContact O-CB 3.3Å; D116-A120 WeakPolarHBondContact O-CB 3.49Å; D116-A120 PolarHBondContact O-N 3.18Å; V117-A120 PolarHBondContact O-N 3.42Å; A120-H122 VanDerWaalsContact C-N 3.33Å; A120-H122 PolarHBondContact O-N 2.92Å; A120-L123 PolarHBondContact O-N 3.47Å; A120-L124 VanDerWaalsContact O-CB 3.23Å; A120-L124 WeakPolarHBondContact O-CB 3.46Å; A120-L124 WeakPolarHBondContact O-CG 3.31Å; A120-L124 PolarHBondContact O-N 3.13Å
121	A	97.1	Very high	95.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-38.4	-177.6	0	0	0	0	0	111.8	V98 V117 L118 Q125 L126 A129 V130	V98-A121 HydrophobicContact CG2-CB 4.19Å; V117-A121 WeakPolarHBondContact O-CB 3.14Å; V117-A121 PolarHBondContact O-N 3.07Å; L118-A121 PolarHBondContact O-N 2.95Å; A121-Q125 PolarHBondContact O-N 2.61Å; A121-L126 HydrophobicContact CB-CB 4.36Å; A121-L126 PolarHBondContact O-N 3.26Å; A121-A129 HydrophobicContact CB-CB 3.76Å; A121-V130 HydrophobicContact CB-CG2 3.83Å
122	H	95.9	Very high	95.7	Very high	57 Å²	57	46.1 Å²	46.1	26%	0.264	23%	0.227	S	C	.	.	H	α-helix	trans	-68.1	-50	177.7	-170.7	88.3	0	0	0	111.4	L118 E119 A120 L124 Q125 W127 V130 Y156	L118-H122 VanDerWaalsContact O-CB 3.22Å; L118-H122 WeakPolarHBondContact O-CB 3.22Å; L118-H122 PolarHBondContact O-N 3.08Å; E119-H122 PolarHBondContact O-N 3.34Å; A120-H122 VanDerWaalsContact C-N 3.33Å; A120-H122 PolarHBondContact O-N 2.92Å; H122-L124 VanDerWaalsContact C-N 3.31Å; H122-L124 PolarHBondContact O-N 3.14Å; H122-Q125 PolarHBondContact O-N 3.38Å; H122-W127 AromaticContact ND1-CZ3 3.99Å; H122-V130 HydrophobicContact CB-CG2 4.47Å; H122-Y156 HydrophobicContact CB-CD1 3.88Å; H122-Y156 HydrophobicContact CB-CE1 4.18Å; H122-Y156 AromaticContact CD2-CD1 3.82Å; H122-Y156 PolarHBondContact CE1-O 3Å; H122-Y156 VanDerWaalsContact CE1-O 3.26Å; H122-Y156 AromaticContact CG-CD1 3.64Å
123	L	95.8	Very high	96	Very high	63 Å²	63	43 Å²	43	33%	0.33	20%	0.195	S	C	.	.	H	α-helix	trans	-59.4	-44.3	178.6	-175	73.6	0	0	0	111.6	I87 V88 V90 E119 A120 Q125	I87-L123 HydrophobicContact CG2-CD2 4.41Å; V88-L123 WeakPolarHBondContact O-CD2 3.44Å; V90-L123 HydrophobicContact CG2-CB 4.36Å; V90-L123 HydrophobicContact CG2-CD2 3.26Å; V90-L123 HydrophobicContact CG2-CG 4.41Å; E119-L123 WeakPolarHBondContact O-CB 3.38Å; E119-L123 PolarHBondContact O-N 3.48Å; A120-L123 PolarHBondContact O-N 3.47Å; L123-Q125 PolarHBondContact O-N 2.95Å
124	L	96.4	Very high	96.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	5.3	-179.8	-58	175.6	0	0	0	112.9	S66 Y68 F69 I87 L95 V98 A120 H122 L126	S66-L124 PolarHBondContact OG-O 3.49Å; Y68-L124 HydrophobicContact CD1-CD2 3.5Å; Y68-L124 HydrophobicContact CE1-CD2 3.62Å; Y68-L124 HydrophobicContact CG-CD2 4.25Å; F69-L124 HydrophobicContact CE1-CD2 4.21Å; F69-L124 HydrophobicContact CE2-CD1 4.05Å; F69-L124 HydrophobicContact CE2-CD2 3.84Å; F69-L124 HydrophobicContact CE2-CG 4.35Å; F69-L124 HydrophobicContact CZ-CD1 4.14Å; F69-L124 HydrophobicContact CZ-CD2 3.56Å; F69-L124 HydrophobicContact CZ-CG 4.42Å; I87-L124 HydrophobicContact CG2-CD2 4.34Å; L95-L124 HydrophobicContact CD1-CD1 3.76Å; V98-L124 HydrophobicContact CG1-CD1 4.05Å; A120-L124 VanDerWaalsContact O-CB 3.23Å; A120-L124 WeakPolarHBondContact O-CB 3.46Å; A120-L124 WeakPolarHBondContact O-CG 3.31Å; A120-L124 PolarHBondContact O-N 3.13Å; H122-L124 VanDerWaalsContact C-N 3.31Å; H122-L124 PolarHBondContact O-N 3.14Å; L124-L126 VanDerWaalsContact C-N 3.31Å; L124-L126 HydrophobicContact CB-CD1 4.22Å; L124-L126 HydrophobicContact CB-CG 4.34Å; L124-L126 PolarHBondContact O-N 3.41Å
125	Q	96.5	Very high	96.2	Very high	80 Å²	80	45.2 Å²	45.2	37%	0.374	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	38.9	175.6	-57.8	-178.9	-6.2	0	0	114.1	P67 A121 H122 L123 W127	P67-Q125 HydrophobicContact CG-CB 4.47Å; A121-Q125 PolarHBondContact O-N 2.61Å; H122-Q125 PolarHBondContact O-N 3.38Å; L123-Q125 PolarHBondContact O-N 2.95Å; Q125-W127 HydrophobicContact CB-CZ2 4.44Å; Q125-W127 HydrophobicContact CG-CZ2 4.48Å; Q125-W127 PolarHBondContact O-N 3.03Å
126	L	96.8	Very high	96.3	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.042	19%	0.19	C	C	.	.			trans	-95.1	72.7	178.1	-67.8	172.9	0	0	0	111	C65 V98 L102 A121 L124 R128 A129 V130	C65-L126 WeakPolarHBondContact O-CD2 3.46Å; V98-L126 HydrophobicContact CB-CD1 4.45Å; V98-L126 HydrophobicContact CG1-CD1 3.09Å; L102-L126 HydrophobicContact CD1-CD1 4.36Å; L102-L126 HydrophobicContact CD2-CD1 4Å; L102-L126 HydrophobicContact CD2-CD2 3.74Å; L102-L126 HydrophobicContact CG-CD1 4.33Å; A121-L126 HydrophobicContact CB-CB 4.36Å; A121-L126 PolarHBondContact O-N 3.26Å; L124-L126 VanDerWaalsContact C-N 3.31Å; L124-L126 HydrophobicContact CB-CD1 4.22Å; L124-L126 HydrophobicContact CB-CG 4.34Å; L124-L126 PolarHBondContact O-N 3.41Å; L126-R128 PolarHBondContact O-N 2.78Å; L126-A129 HydrophobicContact CB-CB 4.26Å; L126-A129 WeakPolarHBondContact O-CB 3.18Å; L126-A129 PolarHBondContact O-N 2.95Å; L126-V130 PolarHBondContact O-N 2.86Å; L126-V130 VanDerWaalsContact O-N 3.08Å
127	W	95.1	Very high	96.3	Very high	150 Å²	150	41.2 Å²	41.2	57%	0.568	18%	0.18	S	C	*	.	H	α-helix	trans	-57.5	-27.6	-173	-55.8	113	0	0	0	114.7	H122 Q125 V130 D131	H122-W127 AromaticContact ND1-CZ3 3.99Å; Q125-W127 HydrophobicContact CB-CZ2 4.44Å; Q125-W127 HydrophobicContact CG-CZ2 4.48Å; Q125-W127 PolarHBondContact O-N 3.03Å; W127-V130 HydrophobicContact CE3-CG2 4.38Å; W127-D131 PolarHBondContact O-N 2.95Å
128	R	95.8	Very high	96.3	Very high	182 Å²	182	42.7 Å²	42.7	69%	0.687	19%	0.187	S	C	*	.	H	α-helix	trans	-67.9	-40.6	173.3	-77.7	-68.7	-171.6	-174.7	0.2	112.8	F101 L126 D131 F132	F101-R128 HydrophobicContact CE1-CB 4.47Å; F101-R128 HydrophobicContact CZ-CB 4.27Å; L126-R128 PolarHBondContact O-N 2.78Å; R128-D131 PolarHBondContact O-N 2.74Å; R128-F132 WeakPolarHBondContact O-CG 3.43Å; R128-F132 PolarHBondContact O-N 3.45Å
129	A	96.5	Very high	96.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.8	-40.6	174.9	0	0	0	0	0	110.6	F101 L107 A121 L126 D131 F132 C133	F101-A129 HydrophobicContact CD1-CB 4.04Å; F101-A129 HydrophobicContact CE1-CB 3.99Å; L107-A129 HydrophobicContact CD2-CB 3.98Å; A121-A129 HydrophobicContact CB-CB 3.76Å; L126-A129 HydrophobicContact CB-CB 4.26Å; L126-A129 WeakPolarHBondContact O-CB 3.18Å; L126-A129 PolarHBondContact O-N 2.95Å; A129-D131 VanDerWaalsContact C-N 3.31Å; A129-D131 PolarHBondContact O-N 3.33Å; A129-F132 PolarHBondContact O-N 2.92Å; A129-F132 VanDerWaalsContact O-N 3.14Å; A129-C133 PolarHBondContact O-N 3.25Å; A129-C133 PolarHBondContact O-SG 3.35Å; A129-C133 VanDerWaalsContact O-SG 3.34Å
130	V	96.8	Very high	96.1	Very high	8 Å²	8	50.8 Å²	50.8	5%	0.048	23%	0.225	C	C	.	.	H	α-helix	trans	-56.3	-44.3	172.4	177.4	0	0	0	0	111.4	L118 A121 H122 L126 W127 F132 C133 C134 L158	L118-V130 HydrophobicContact CD1-CG1 4.05Å; L118-V130 HydrophobicContact CD1-CG2 4.48Å; A121-V130 HydrophobicContact CB-CG2 3.83Å; H122-V130 HydrophobicContact CB-CG2 4.47Å; L126-V130 PolarHBondContact O-N 2.86Å; L126-V130 VanDerWaalsContact O-N 3.08Å; W127-V130 HydrophobicContact CE3-CG2 4.38Å; V130-F132 VanDerWaalsContact C-N 3.35Å; V130-F132 PolarHBondContact O-N 3.12Å; V130-C133 WeakPolarHBondContact O-CB 3.41Å; V130-C133 PolarHBondContact O-N 3.36Å; V130-C134 PolarHBondContact O-N 3.34Å; V130-C134 PolarHBondContact O-SG 3.26Å; V130-C134 VanDerWaalsContact O-SG 3.35Å; V130-L158 HydrophobicContact CG1-CD2 3.52Å
131	D	95.9	Very high	96	Very high	43 Å²	43	51.5 Å²	51.5	23%	0.23	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-38.1	177.4	-173	64.3	0	0	0	112.6	W127 R128 A129 C134 Q135 R160	W127-D131 PolarHBondContact O-N 2.95Å; R128-D131 PolarHBondContact O-N 2.74Å; A129-D131 VanDerWaalsContact C-N 3.31Å; A129-D131 PolarHBondContact O-N 3.33Å; D131-C134 WeakPolarHBondContact O-CB 3.44Å; D131-C134 PolarHBondContact O-N 3.24Å; D131-Q135 VanDerWaalsContact O-CG 3.31Å; D131-Q135 WeakPolarHBondContact O-CG 3.44Å; D131-Q135 PolarHBondContact O-N 2.98Å; D131-Q135 PolarHBondContact OD2-NE2 3.12Å; D131-R160 IonicContact OD1-CZ 3.41Å; D131-R160 IonicContact OD1-NH1 3.76Å; D131-R160 PolarHBondContact OD1-NH1 3.3Å; D131-R160 IonicContact OD2-NH1 3.76Å
132	F	96.9	Very high	95.9	Very high	73 Å²	73	53.6 Å²	53.6	32%	0.32	24%	0.244	S	C	.	.	H	α-helix	trans	-66.6	-39.5	173.5	-65.9	-27.5	0	0	0	112.5	F101 L107 L109 R128 A129 V130 C134 Q135 Y136	F101-F132 HydrophobicContact CE2-CD2 4.28Å; F101-F132 AromaticContact CE2-CE2 3.8Å; F101-F132 HydrophobicContact CE2-CE2 3.8Å; F101-F132 HydrophobicContact CZ-CD2 4.43Å; F101-F132 HydrophobicContact CZ-CE2 4.01Å; L107-F132 HydrophobicContact CB-CD2 4.27Å; L107-F132 HydrophobicContact CD2-CB 4.02Å; L107-F132 HydrophobicContact CD2-CD2 4.25Å; L109-F132 HydrophobicContact CD1-CB 4.26Å; L109-F132 WeakPolarHBondContact CD1-O 3.46Å; R128-F132 WeakPolarHBondContact O-CG 3.43Å; R128-F132 PolarHBondContact O-N 3.45Å; A129-F132 PolarHBondContact O-N 2.92Å; A129-F132 VanDerWaalsContact O-N 3.14Å; V130-F132 VanDerWaalsContact C-N 3.35Å; V130-F132 PolarHBondContact O-N 3.12Å; F132-C134 VanDerWaalsContact C-N 3.35Å; F132-Q135 PolarHBondContact O-N 2.86Å; F132-Y136 PolarHBondContact O-N 3.21Å
133	C	96.6	Very high	95.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.4	-46.7	170.8	-65.7	0	0	0	0	111	V114 L118 A129 V130 Q135 Y136 L137	V114-C133 HydrophobicContact CG2-CB 4.4Å; L118-C133 HydrophobicContact CB-CB 4.35Å; L118-C133 HydrophobicContact CD1-CB 3.93Å; A129-C133 PolarHBondContact O-N 3.25Å; A129-C133 PolarHBondContact O-SG 3.35Å; A129-C133 VanDerWaalsContact O-SG 3.34Å; V130-C133 WeakPolarHBondContact O-CB 3.41Å; V130-C133 PolarHBondContact O-N 3.36Å; C133-Q135 PolarHBondContact O-N 2.77Å; C133-Y136 PolarHBondContact O-N 3.33Å; C133-L137 VanDerWaalsContact O-CG 3.28Å; C133-L137 WeakPolarHBondContact O-CG 3.43Å; C133-L137 PolarHBondContact O-N 3.21Å
134	C	96.4	Very high	95.5	Very high	6 Å²	6	60.5 Å²	60.5	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-57.7	-47.3	175.3	-69.4	0	0	0	0	112.1	V130 D131 F132 Y136 L137 E138	V130-C134 PolarHBondContact O-N 3.34Å; V130-C134 PolarHBondContact O-SG 3.26Å; V130-C134 VanDerWaalsContact O-SG 3.35Å; D131-C134 WeakPolarHBondContact O-CB 3.44Å; D131-C134 PolarHBondContact O-N 3.24Å; F132-C134 VanDerWaalsContact C-N 3.35Å; C134-Y136 VanDerWaalsContact C-N 3.3Å; C134-Y136 PolarHBondContact O-N 2.95Å; C134-L137 PolarHBondContact O-N 2.83Å; C134-E138 WeakPolarHBondContact O-CB 3.34Å; C134-E138 VanDerWaalsContact O-CG 3.23Å; C134-E138 WeakPolarHBondContact O-CG 3.34Å; C134-E138 PolarHBondContact O-N 3.21Å
135	Q	95.6	Very high	95.3	Very high	67 Å²	67	62.6 Å²	62.6	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-60.5	-39	178.3	-72.5	174.9	30.3	0	0	112.7	D131 F132 C133 Q139	D131-Q135 VanDerWaalsContact O-CG 3.31Å; D131-Q135 WeakPolarHBondContact O-CG 3.44Å; D131-Q135 PolarHBondContact O-N 2.98Å; D131-Q135 PolarHBondContact OD2-NE2 3.12Å; F132-Q135 PolarHBondContact O-N 2.86Å; C133-Q135 PolarHBondContact O-N 2.77Å; Q135-Q139 WeakPolarHBondContact O-CG 3.39Å
136	Y	96.2	Very high	95.2	Very high	49 Å²	49	58.9 Å²	58.9	19%	0.192	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-49.4	175	177.9	-96.6	0	0	0	111	L109 D110 G111 V114 F132 C133 C134 E138 Q139 Q140	L109-Y136 HydrophobicContact CB-CD1 4.44Å; L109-Y136 HydrophobicContact CB-CD2 4.03Å; L109-Y136 HydrophobicContact CB-CE2 4.48Å; L109-Y136 HydrophobicContact CB-CG 4.01Å; L109-Y136 HydrophobicContact CD1-CG 4.34Å; D110-Y136 VanDerWaalsContact C-OH 3.3Å; D110-Y136 WeakPolarHBondContact CA-OH 3.44Å; G111-Y136 PolarHBondContact N-OH 3.21Å; G111-Y136 VanDerWaalsContact N-OH 3.1Å; V114-Y136 HydrophobicContact CB-CD1 4.26Å; V114-Y136 HydrophobicContact CB-CE1 4.27Å; V114-Y136 HydrophobicContact CG1-CE1 4.4Å; V114-Y136 HydrophobicContact CG2-CD1 3.95Å; V114-Y136 HydrophobicContact CG2-CE1 4.44Å; F132-Y136 PolarHBondContact O-N 3.21Å; C133-Y136 PolarHBondContact O-N 3.33Å; C134-Y136 VanDerWaalsContact C-N 3.3Å; C134-Y136 PolarHBondContact O-N 2.95Å; Y136-E138 VanDerWaalsContact C-N 3.34Å; Y136-E138 PolarHBondContact O-N 2.97Å; Y136-Q139 WeakPolarHBondContact O-CB 3.43Å; Y136-Q139 PolarHBondContact O-N 3.03Å; Y136-Q140 HydrophobicContact CD1-CG 4.33Å; Y136-Q140 HydrophobicContact CE1-CG 3.88Å; Y136-Q140 HydrophobicContact CE2-CG 4.42Å; Y136-Q140 PolarHBondContact O-N 2.84Å
137	L	95.8	Very high	95.1	Very high	7 Å²	7	59 Å²	59	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-38.6	179.9	-67	175.1	0	0	0	112.4	V114 L118 C133 C134 Q139 Q140 V141 L149 L161	V114-L137 HydrophobicContact CG1-CD2 4.13Å; V114-L137 HydrophobicContact CG2-CD1 4.47Å; V114-L137 HydrophobicContact CG2-CD2 3.88Å; V114-L137 HydrophobicContact CG2-CG 4.08Å; L118-L137 HydrophobicContact CD2-CD1 4.33Å; C133-L137 VanDerWaalsContact O-CG 3.28Å; C133-L137 WeakPolarHBondContact O-CG 3.43Å; C133-L137 PolarHBondContact O-N 3.21Å; C134-L137 PolarHBondContact O-N 2.83Å; L137-Q139 PolarHBondContact O-N 3.01Å; L137-Q140 PolarHBondContact O-N 3.2Å; L137-V141 WeakPolarHBondContact O-CG2 3.45Å; L137-V141 PolarHBondContact O-N 2.93Å; L137-L149 HydrophobicContact CD2-CD2 3.82Å; L137-L161 HydrophobicContact CB-CD1 4.03Å; L137-L161 HydrophobicContact CB-CD2 4.11Å; L137-L161 HydrophobicContact CD1-CD2 3.76Å
138	E	95.9	Very high	95	Very high	31 Å²	31	56.4 Å²	56.4	15%	0.145	27%	0.266	C	S	.	.	H	α-helix	trans	-54.8	-35.8	173.5	-76.1	171.8	-177.7	0	0	112	C134 Y136 R160 L161 F164	C134-E138 WeakPolarHBondContact O-CB 3.34Å; C134-E138 VanDerWaalsContact O-CG 3.23Å; C134-E138 WeakPolarHBondContact O-CG 3.34Å; C134-E138 PolarHBondContact O-N 3.21Å; Y136-E138 VanDerWaalsContact C-N 3.34Å; Y136-E138 PolarHBondContact O-N 2.97Å; E138-R160 WeakPolarHBondContact OE1-CG 3.39Å; E138-R160 IonicContact OE1-CZ 3.61Å; E138-R160 IonicContact OE1-NE 2.75Å; E138-R160 PolarHBondContact OE1-NE 2.77Å; E138-R160 IonicContact OE1-NH2 2.67Å; E138-R160 IonicContact OE2-CZ 2.77Å; E138-R160 IonicContact OE2-NE 3.91Å; E138-R160 IonicContact OE2-NH2 3.45Å; E138-R160 PolarHBondContact OE2-NH2 2.77Å; E138-L161 HydrophobicContact CG-CD1 3.86Å; E138-F164 HydrophobicContact CB-CD1 4.07Å; E138-F164 HydrophobicContact CB-CD2 4.48Å; E138-F164 HydrophobicContact CB-CE1 3.98Å; E138-F164 HydrophobicContact CB-CE2 4.39Å; E138-F164 HydrophobicContact CB-CG 4.32Å; E138-F164 HydrophobicContact CB-CZ 4.14Å; E138-F164 HydrophobicContact CG-CB 4.1Å; E138-F164 HydrophobicContact CG-CD1 3.81Å; E138-F164 HydrophobicContact CG-CD2 4.14Å; E138-F164 HydrophobicContact CG-CE1 4.25Å; E138-F164 HydrophobicContact CG-CG 3.75Å; E138-F164 WeakPolarHBondContact O-CE1 3.48Å; E138-F164 WeakPolarHBondContact O-CZ 3.24Å
139	Q	94.9	Very high	94.9	Very high	150 Å²	150	48.6 Å²	48.6	70%	0.701	24%	0.238	S	C	*	.	H	α-helix	trans	-79.3	-19.7	179.1	-65	173.9	18.8	0	0	113.5	Q135 Y136 L137	Q135-Q139 WeakPolarHBondContact O-CG 3.39Å; Y136-Q139 WeakPolarHBondContact O-CB 3.43Å; Y136-Q139 PolarHBondContact O-N 3.03Å; L137-Q139 PolarHBondContact O-N 3.01Å
140	Q	94.1	Very high	94.8	Very high	92 Å²	92	49.1 Å²	49.1	43%	0.43	24%	0.24	S	C	.	.	H	α-helix	trans	-99.5	-0.5	-177.2	-58.7	-53.3	-45.7	0	0	113.4	Y136 L137 S142 N145	Y136-Q140 HydrophobicContact CD1-CG 4.33Å; Y136-Q140 HydrophobicContact CE1-CG 3.88Å; Y136-Q140 HydrophobicContact CE2-CG 4.42Å; Y136-Q140 PolarHBondContact O-N 2.84Å; L137-Q140 PolarHBondContact O-N 3.2Å; Q140-S142 PolarHBondContact O-N 2.81Å; Q140-N145 PolarHBondContact O-ND2 2.91Å
141	V	95.3	Very high	94.6	Very high	16 Å²	16	54.4 Å²	54.4	10%	0.097	27%	0.265	C	S	.	.			trans	-61.1	125	178.5	-176.7	0	0	0	0	111	L137 L149 F164 I165 W168	L137-V141 WeakPolarHBondContact O-CG2 3.45Å; L137-V141 PolarHBondContact O-N 2.93Å; V141-L149 HydrophobicContact CB-CD1 4.45Å; V141-L149 HydrophobicContact CG2-CD1 3.86Å; V141-F164 HydrophobicContact CB-CE1 4.28Å; V141-F164 HydrophobicContact CG2-CD1 4.13Å; V141-F164 HydrophobicContact CG2-CE1 3.78Å; V141-I165 HydrophobicContact CG2-CG1 4.2Å; V141-W168 HydrophobicContact CG1-CD2 3.74Å; V141-W168 HydrophobicContact CG1-CE3 4.04Å; V141-W168 HydrophobicContact CG1-CG 4.01Å; V141-W168 HydrophobicContact CG1-CZ2 4.37Å; V141-W168 HydrophobicContact CG1-CZ3 4.47Å
142	S	94.5	Very high	94.5	Very high	43 Å²	43	54 Å²	54	30%	0.301	26%	0.263	S	S	.	.			trans	-134.2	172.4	-177.7	81.3	0	0	0	0	111.7	Q140 E144 N145 Y146 W168	Q140-S142 PolarHBondContact O-N 2.81Å; S142-E144 PolarHBondContact O-N 2.86Å; S142-E144 PolarHBondContact OG-N 3.25Å; S142-N145 PolarHBondContact N-OD1 3.44Å; S142-N145 PolarHBondContact O-OD1 3.36Å; S142-N145 VanDerWaalsContact OG-CG 3.3Å; S142-N145 PolarHBondContact OG-N 3.38Å; S142-N145 PolarHBondContact OG-OD1 3.06Å; S142-Y146 PolarHBondContact O-N 3.4Å; S142-W168 VanDerWaalsContact C-CH2 3.47Å; S142-W168 WeakPolarHBondContact O-CH2 3.28Å
143	E	92.3	Very high	94.4	Very high	96 Å²	96	50.5 Å²	50.5	45%	0.449	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-19	177.1	-63.4	-178.1	-176.7	0	0	112.8	Y146 W168 L176	E143-Y146 WeakPolarHBondContact O-CD1 3.43Å; E143-Y146 WeakPolarHBondContact O-CE1 3.23Å; E143-W168 HydrophobicContact CB-CH2 4.42Å; E143-W168 HydrophobicContact CG-CH2 3.82Å; E143-W168 HydrophobicContact CG-CZ2 4.43Å; E143-L176 HydrophobicContact CB-CD2 4.22Å; E143-L176 HydrophobicContact CG-CD2 4.16Å
144	E	90.7	Very high	94.3	Very high	170 Å²	170	58.8 Å²	58.8	79%	0.794	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-30.4	-176.5	-62.6	176.4	-178	0	0	112.7	S142	S142-E144 PolarHBondContact O-N 2.86Å; S142-E144 PolarHBondContact OG-N 3.25Å
145	N	93.2	Very high	94.1	Very high	43 Å²	43	66 Å²	66	23%	0.23	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-6.4	-169.7	71.2	8.3	0	0	0	115.5	Q140 S142 L147 D148 L149	Q140-N145 PolarHBondContact O-ND2 2.91Å; S142-N145 PolarHBondContact N-OD1 3.44Å; S142-N145 PolarHBondContact O-OD1 3.36Å; S142-N145 VanDerWaalsContact OG-CG 3.3Å; S142-N145 PolarHBondContact OG-N 3.38Å; S142-N145 PolarHBondContact OG-OD1 3.06Å; N145-L147 VanDerWaalsContact C-N 3.28Å; N145-L147 PolarHBondContact O-N 3.24Å; N145-D148 PolarHBondContact O-N 3.1Å; N145-D148 VanDerWaalsContact O-N 3.12Å; N145-L149 WeakPolarHBondContact O-CG 3.45Å; N145-L149 PolarHBondContact O-N 2.73Å
146	Y	95.1	Very high	94.1	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-32.8	-170.2	74.5	-80.1	0	0	0	113.7	S142 E143 Q150 W168 V169 L176	S142-Y146 PolarHBondContact O-N 3.4Å; E143-Y146 WeakPolarHBondContact O-CD1 3.43Å; E143-Y146 WeakPolarHBondContact O-CE1 3.23Å; Y146-Q150 VanDerWaalsContact O-CB 3.24Å; Y146-Q150 WeakPolarHBondContact O-CB 3.44Å; Y146-Q150 PolarHBondContact O-N 3.24Å; Y146-W168 HydrophobicContact CD1-CZ3 4.28Å; Y146-W168 HydrophobicContact CG-CZ3 4.16Å; Y146-V169 HydrophobicContact CD2-CG2 3.47Å; Y146-V169 VanDerWaalsContact CD2-CG2 3.47Å; Y146-V169 HydrophobicContact CE2-CG2 3.76Å; Y146-V169 HydrophobicContact CG-CG2 4.34Å; Y146-L176 HydrophobicContact CE1-CD2 3.94Å
147	L	93.9	Very high	94	Very high	12 Å²	12	66.7 Å²	66.7	6%	0.063	33%	0.325	C	S	.	.	H	α-helix	trans	-70.5	-37.3	177.3	-69.8	173	0	0	0	111.9	N145 Q150 Q151 D181 N185 L186	N145-L147 VanDerWaalsContact C-N 3.28Å; N145-L147 PolarHBondContact O-N 3.24Å; L147-Q150 WeakPolarHBondContact O-CB 3.25Å; L147-Q150 PolarHBondContact O-N 3.01Å; L147-Q151 WeakPolarHBondContact O-CG 3.47Å; L147-Q151 PolarHBondContact O-N 3.43Å; L147-D181 HydrophobicContact CD1-CB 3.79Å; L147-D181 WeakPolarHBondContact CD1-O 3.45Å; L147-N185 HydrophobicContact CD1-CB 4.13Å; L147-L186 HydrophobicContact CD2-CD1 3.72Å
148	D	92.6	Very high	94	Very high	94 Å²	94	67 Å²	67	50%	0.503	33%	0.327	S	S	.	.	H	α-helix	trans	-69.3	-45.2	177	-59.9	-38	0	0	0	109.9	N145 Q150 Q151 V152	N145-D148 PolarHBondContact O-N 3.1Å; N145-D148 VanDerWaalsContact O-N 3.12Å; D148-Q150 PolarHBondContact O-N 3.36Å; D148-Q151 WeakPolarHBondContact O-CA 3.34Å; D148-Q151 WeakPolarHBondContact O-CB 3.37Å; D148-Q151 PolarHBondContact O-N 3.49Å; D148-V152 WeakPolarHBondContact O-CG2 3.42Å; D148-V152 PolarHBondContact O-N 2.85Å
149	L	94.2	Very high	93.9	Very high	18 Å²	18	73.2 Å²	73.2	9%	0.094	36%	0.356	C	S	.	.	H	α-helix	trans	-61.5	-32.8	174.2	-65.9	-178.8	0	0	0	112.5	L137 V141 N145 V152 A153 I165	L137-L149 HydrophobicContact CD2-CD2 3.82Å; V141-L149 HydrophobicContact CB-CD1 4.45Å; V141-L149 HydrophobicContact CG2-CD1 3.86Å; N145-L149 WeakPolarHBondContact O-CG 3.45Å; N145-L149 PolarHBondContact O-N 2.73Å; L149-V152 PolarHBondContact O-N 3.42Å; L149-A153 WeakPolarHBondContact O-CB 3.33Å; L149-A153 PolarHBondContact O-N 2.9Å; L149-I165 HydrophobicContact CB-CD1 3.74Å
150	Q	94	Very high	93.9	Very high	11 Å²	11	71.3 Å²	71.3	5%	0.051	34%	0.342	C	S	.	.	H	α-helix	trans	-68.3	-36.6	173.8	-173.8	153	54	0	0	112.1	Y146 L147 D148 R154 D162 I165 D166 K190 Y194	Y146-Q150 VanDerWaalsContact O-CB 3.24Å; Y146-Q150 WeakPolarHBondContact O-CB 3.44Å; Y146-Q150 PolarHBondContact O-N 3.24Å; L147-Q150 WeakPolarHBondContact O-CB 3.25Å; L147-Q150 PolarHBondContact O-N 3.01Å; D148-Q150 PolarHBondContact O-N 3.36Å; Q150-R154 WeakPolarHBondContact O-CB 3.45Å; Q150-R154 PolarHBondContact O-N 3.02Å; Q150-D162 PolarHBondContact NE2-OD1 3.16Å; Q150-D162 VanDerWaalsContact NE2-OD1 3.15Å; Q150-I165 HydrophobicContact CB-CD1 4.46Å; Q150-I165 HydrophobicContact CB-CG2 4.4Å; Q150-D166 PolarHBondContact NE2-OD1 3.05Å; Q150-K190 VanDerWaalsContact NE2-CD 3.32Å; Q150-Y194 PolarHBondContact NE2-OH 2.79Å; Q150-Y194 VanDerWaalsContact NE2-OH 3.17Å; Q150-Y194 PolarHBondContact OE1-OH 2.91Å
151	Q	92.8	Very high	94	Very high	120 Å²	120	66.9 Å²	66.9	56%	0.561	32%	0.322	S	S	*	.	H	α-helix	trans	-66.3	-43.6	171.8	-70	174.8	60.2	0	0	111.6	L147 D148 R154 F155	L147-Q151 WeakPolarHBondContact O-CG 3.47Å; L147-Q151 PolarHBondContact O-N 3.43Å; D148-Q151 WeakPolarHBondContact O-CA 3.34Å; D148-Q151 WeakPolarHBondContact O-CB 3.37Å; D148-Q151 PolarHBondContact O-N 3.49Å; Q151-R154 PolarHBondContact O-N 3.04Å; Q151-F155 WeakPolarHBondContact O-CB 3.35Å; Q151-F155 PolarHBondContact O-N 3.38Å
152	V	93.3	Very high	94	Very high	33 Å²	33	67.9 Å²	67.9	20%	0.2	33%	0.326	C	S	.	.	H	α-helix	trans	-59	-47.9	174.7	172.7	0	0	0	0	110.5	L118 D148 L149 R154 F155 Y156	L118-V152 HydrophobicContact CD2-CG1 3.7Å; D148-V152 WeakPolarHBondContact O-CG2 3.42Å; D148-V152 PolarHBondContact O-N 2.85Å; L149-V152 PolarHBondContact O-N 3.42Å; V152-R154 VanDerWaalsContact C-N 3.29Å; V152-R154 PolarHBondContact O-N 3.28Å; V152-F155 PolarHBondContact O-N 2.94Å; V152-Y156 HydrophobicContact CG1-CD2 3.86Å; V152-Y156 HydrophobicContact CG1-CE2 4.15Å; V152-Y156 WeakPolarHBondContact O-CD2 3.18Å; V152-Y156 PolarHBondContact O-N 3.14Å
153	A	95.3	Very high	94	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-41.7	177.8	0	0	0	0	0	111.6	L149 S157 L158 L161 D162	L149-A153 WeakPolarHBondContact O-CB 3.33Å; L149-A153 PolarHBondContact O-N 2.9Å; A153-S157 CarbonylContact O-C 3.59Å; A153-S157 WeakPolarHBondContact O-CA 3.25Å; A153-S157 PolarHBondContact O-N 2.98Å; A153-L158 HydrophobicContact CB-CB 4.21Å; A153-L158 PolarHBondContact O-N 3.23Å; A153-L161 HydrophobicContact CB-CB 4.31Å; A153-L161 HydrophobicContact CB-CD2 4.07Å; A153-L161 HydrophobicContact CB-CG 4.16Å; A153-D162 HydrophobicContact CB-CB 4Å
154	R	93.8	Very high	94.2	Very high	173 Å²	173	66.9 Å²	66.9	65%	0.653	32%	0.323	S	S	*	.	H	α-helix	trans	-67.4	-42.4	176.2	-175.1	177.7	176.5	-170.7	-1.9	112.6	Q150 Q151 V152 S157	Q150-R154 WeakPolarHBondContact O-CB 3.45Å; Q150-R154 PolarHBondContact O-N 3.02Å; Q151-R154 PolarHBondContact O-N 3.04Å; V152-R154 VanDerWaalsContact C-N 3.29Å; V152-R154 PolarHBondContact O-N 3.28Å; R154-S157 PolarHBondContact O-N 3.25Å
155	F	93.3	Very high	94.5	Very high	158 Å²	158	58.8 Å²	58.8	69%	0.693	29%	0.285	S	S	*	.	H	α-helix	trans	-61.8	-45	-178.6	-176.6	-96.2	0	0	0	111.5	Q151 V152	Q151-F155 WeakPolarHBondContact O-CB 3.35Å; Q151-F155 PolarHBondContact O-N 3.38Å; V152-F155 PolarHBondContact O-N 2.94Å
156	Y	94.4	Very high	94.6	Very high	33 Å²	33	58 Å²	58	13%	0.129	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	5.6	179	-66.4	-69.4	0	0	0	114.4	L118 E119 H122 V152 L158	L118-Y156 HydrophobicContact CD2-CD2 3.69Å; L118-Y156 HydrophobicContact CD2-CE2 3.87Å; L118-Y156 HydrophobicContact CD2-CG 4.42Å; L118-Y156 HydrophobicContact CG-CD2 4.06Å; L118-Y156 HydrophobicContact CG-CE2 4.11Å; L118-Y156 HydrophobicContact CG-CG 4.42Å; E119-Y156 WeakPolarHBondContact CB-OH 3.35Å; H122-Y156 HydrophobicContact CB-CD1 3.88Å; H122-Y156 HydrophobicContact CB-CE1 4.18Å; H122-Y156 AromaticContact CD2-CD1 3.82Å; H122-Y156 PolarHBondContact CE1-O 3Å; H122-Y156 VanDerWaalsContact CE1-O 3.26Å; H122-Y156 AromaticContact CG-CD1 3.64Å; V152-Y156 HydrophobicContact CG1-CD2 3.86Å; V152-Y156 HydrophobicContact CG1-CE2 4.15Å; V152-Y156 WeakPolarHBondContact O-CD2 3.18Å; V152-Y156 PolarHBondContact O-N 3.14Å; Y156-L158 PolarHBondContact O-N 2.9Å
157	S	94.8	Very high	94.5	Very high	98 Å²	98	65.7 Å²	65.7	69%	0.685	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	43.5	-177.1	-56	0	0	0	0	114.2	A153 R154 E159	A153-S157 CarbonylContact O-C 3.59Å; A153-S157 WeakPolarHBondContact O-CA 3.25Å; A153-S157 PolarHBondContact O-N 2.98Å; R154-S157 PolarHBondContact O-N 3.25Å; S157-E159 PolarHBondContact O-N 3.02Å
158	L	95.6	Very high	94.6	Very high	14 Å²	14	66.6 Å²	66.6	7%	0.073	31%	0.312	C	S	.	.			trans	-87.1	77.6	-178.3	-51.7	176.1	0	0	0	111.6	L118 V130 A153 Y156 R160 L161 D162	L118-L158 HydrophobicContact CD1-CD1 4.18Å; L118-L158 HydrophobicContact CD2-CD1 4.02Å; V130-L158 HydrophobicContact CG1-CD2 3.52Å; A153-L158 HydrophobicContact CB-CB 4.21Å; A153-L158 PolarHBondContact O-N 3.23Å; Y156-L158 PolarHBondContact O-N 2.9Å; L158-R160 VanDerWaalsContact C-N 3.27Å; L158-R160 PolarHBondContact O-N 2.87Å; L158-L161 HydrophobicContact CB-CB 4.09Å; L158-L161 HydrophobicContact CD1-CD2 4.14Å; L158-L161 PolarHBondContact O-N 2.86Å; L158-D162 PolarHBondContact O-N 3.29Å
159	E	93.8	Very high	94.7	Very high	160 Å²	160	62.1 Å²	62.1	75%	0.748	29%	0.288	S	S	*	.	H	α-helix	trans	-56.8	-37.1	-175.6	-64	-176.2	173.6	0	0	114	S157 S163	S157-E159 PolarHBondContact O-N 3.02Å; E159-S163 VanDerWaalsContact O-CB 3.25Å; E159-S163 WeakPolarHBondContact O-CB 3.47Å; E159-S163 PolarHBondContact O-N 3.05Å; E159-S163 PolarHBondContact O-OG 3.4Å
160	R	94.5	Very high	94.6	Very high	110 Å²	110	62 Å²	62	42%	0.415	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-49.7	178.7	177.8	-172.9	159.3	165.6	4.9	111.4	D131 E138 L158 S163 F164	D131-R160 IonicContact OD1-CZ 3.41Å; D131-R160 IonicContact OD1-NH1 3.76Å; D131-R160 PolarHBondContact OD1-NH1 3.3Å; D131-R160 IonicContact OD2-NH1 3.76Å; E138-R160 WeakPolarHBondContact OE1-CG 3.39Å; E138-R160 IonicContact OE1-CZ 3.61Å; E138-R160 IonicContact OE1-NE 2.75Å; E138-R160 PolarHBondContact OE1-NE 2.77Å; E138-R160 IonicContact OE1-NH2 2.67Å; E138-R160 IonicContact OE2-CZ 2.77Å; E138-R160 IonicContact OE2-NE 3.91Å; E138-R160 IonicContact OE2-NH2 3.45Å; E138-R160 PolarHBondContact OE2-NH2 2.77Å; L158-R160 VanDerWaalsContact C-N 3.27Å; L158-R160 PolarHBondContact O-N 2.87Å; R160-S163 PolarHBondContact O-N 2.87Å; R160-F164 PolarHBondContact O-N 3.15Å
161	L	96.1	Very high	94.5	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.2	-44.8	-179.9	178.3	61.5	0	0	0	110.3	L137 E138 A153 L158 S163 F164 I165	L137-L161 HydrophobicContact CB-CD1 4.03Å; L137-L161 HydrophobicContact CB-CD2 4.11Å; L137-L161 HydrophobicContact CD1-CD2 3.76Å; E138-L161 HydrophobicContact CG-CD1 3.86Å; A153-L161 HydrophobicContact CB-CB 4.31Å; A153-L161 HydrophobicContact CB-CD2 4.07Å; A153-L161 HydrophobicContact CB-CG 4.16Å; L158-L161 HydrophobicContact CB-CB 4.09Å; L158-L161 HydrophobicContact CD1-CD2 4.14Å; L158-L161 PolarHBondContact O-N 2.86Å; L161-S163 PolarHBondContact O-N 2.87Å; L161-F164 WeakPolarHBondContact O-CB 3.47Å; L161-F164 PolarHBondContact O-N 3.3Å; L161-F164 VanDerWaalsContact O-N 3.14Å; L161-I165 HydrophobicContact CD1-CD1 4.08Å; L161-I165 HydrophobicContact CD1-CG1 4.3Å; L161-I165 HydrophobicContact CG-CD1 3.9Å; L161-I165 WeakPolarHBondContact O-CG1 3.46Å; L161-I165 PolarHBondContact O-N 2.73Å
162	D	95.3	Very high	94.4	Very high	36 Å²	36	62 Å²	62	19%	0.193	29%	0.29	C	S	.	.	H	α-helix	trans	-60.6	-43.8	177.8	-169.3	45.9	0	0	0	111.9	Q150 A153 L158 F164 I165 D166 K190	Q150-D162 PolarHBondContact NE2-OD1 3.16Å; Q150-D162 VanDerWaalsContact NE2-OD1 3.15Å; A153-D162 HydrophobicContact CB-CB 4Å; L158-D162 PolarHBondContact O-N 3.29Å; D162-F164 VanDerWaalsContact C-N 3.31Å; D162-F164 PolarHBondContact O-N 2.74Å; D162-I165 PolarHBondContact O-N 2.81Å; D162-D166 WeakPolarHBondContact O-CB 3.48Å; D162-D166 PolarHBondContact O-N 2.81Å; D162-K190 WeakPolarHBondContact OD1-CE 3.41Å; D162-K190 IonicContact OD1-NZ 2.74Å; D162-K190 PolarHBondContact OD1-NZ 2.99Å; D162-K190 IonicContact OD2-NZ 2.74Å; D162-K190 PolarHBondContact OD2-NZ 3.33Å
163	S	95.1	Very high	94.3	Very high	61 Å²	61	60.4 Å²	60.4	43%	0.427	28%	0.281	S	S	.	.	H	α-helix	trans	-66.1	-30.9	175.6	-60.6	0	0	0	0	113.2	E159 R160 L161 R167	E159-S163 VanDerWaalsContact O-CB 3.25Å; E159-S163 WeakPolarHBondContact O-CB 3.47Å; E159-S163 PolarHBondContact O-N 3.05Å; E159-S163 PolarHBondContact O-OG 3.4Å; R160-S163 PolarHBondContact O-N 2.87Å; L161-S163 PolarHBondContact O-N 2.87Å; S163-R167 WeakPolarHBondContact O-CG 3.42Å; S163-R167 PolarHBondContact O-N 3.48Å; S163-R167 PolarHBondContact O-NE 3.27Å; S163-R167 VanDerWaalsContact O-NE 3.16Å
164	F	96.6	Very high	94	Very high	58 Å²	58	62 Å²	62	25%	0.254	29%	0.292	S	S	.	.	H	α-helix	trans	-68.9	-47.9	172.4	176.5	-90.1	0	0	0	111	E138 V141 R160 L161 D162 D166 R167 W168	E138-F164 HydrophobicContact CB-CD1 4.07Å; E138-F164 HydrophobicContact CB-CD2 4.48Å; E138-F164 HydrophobicContact CB-CE1 3.98Å; E138-F164 HydrophobicContact CB-CE2 4.39Å; E138-F164 HydrophobicContact CB-CG 4.32Å; E138-F164 HydrophobicContact CB-CZ 4.14Å; E138-F164 HydrophobicContact CG-CB 4.1Å; E138-F164 HydrophobicContact CG-CD1 3.81Å; E138-F164 HydrophobicContact CG-CD2 4.14Å; E138-F164 HydrophobicContact CG-CE1 4.25Å; E138-F164 HydrophobicContact CG-CG 3.75Å; E138-F164 WeakPolarHBondContact O-CE1 3.48Å; E138-F164 WeakPolarHBondContact O-CZ 3.24Å; V141-F164 HydrophobicContact CB-CE1 4.28Å; V141-F164 HydrophobicContact CG2-CD1 4.13Å; V141-F164 HydrophobicContact CG2-CE1 3.78Å; R160-F164 PolarHBondContact O-N 3.15Å; L161-F164 WeakPolarHBondContact O-CB 3.47Å; L161-F164 PolarHBondContact O-N 3.3Å; L161-F164 VanDerWaalsContact O-N 3.14Å; D162-F164 VanDerWaalsContact C-N 3.31Å; D162-F164 PolarHBondContact O-N 2.74Å; F164-D166 PolarHBondContact O-N 3.14Å; F164-R167 PolarHBondContact O-N 3.35Å; F164-W168 WeakPolarHBondContact O-CB 3.4Å; F164-W168 PolarHBondContact O-N 2.81Å
165	I	96.4	Very high	93.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-45.1	178.3	-65.3	165.4	0	0	0	110.3	V141 L149 Q150 L161 D162 R167 W168 V169	V141-I165 HydrophobicContact CG2-CG1 4.2Å; L149-I165 HydrophobicContact CB-CD1 3.74Å; Q150-I165 HydrophobicContact CB-CD1 4.46Å; Q150-I165 HydrophobicContact CB-CG2 4.4Å; L161-I165 HydrophobicContact CD1-CD1 4.08Å; L161-I165 HydrophobicContact CD1-CG1 4.3Å; L161-I165 HydrophobicContact CG-CD1 3.9Å; L161-I165 WeakPolarHBondContact O-CG1 3.46Å; L161-I165 PolarHBondContact O-N 2.73Å; D162-I165 PolarHBondContact O-N 2.81Å; I165-R167 VanDerWaalsContact C-N 3.33Å; I165-R167 PolarHBondContact O-N 3.27Å; I165-W168 CarbonylContact O-C 3.57Å; I165-W168 WeakPolarHBondContact O-CA 3.48Å; I165-W168 WeakPolarHBondContact O-CB 3.46Å; I165-W168 PolarHBondContact O-N 3.12Å; I165-V169 HydrophobicContact CG2-CG2 4.15Å; I165-V169 WeakPolarHBondContact O-CG2 3.42Å; I165-V169 PolarHBondContact O-N 3.17Å
166	D	95.3	Very high	93.8	Very high	26 Å²	26	52.7 Å²	52.7	14%	0.139	26%	0.256	C	S	.	.	H	α-helix	trans	-56.6	-46.1	177.4	-77.6	-4.1	0	0	0	111.4	Q150 D162 F164 W168 V169 L170 K190 Y194	Q150-D166 PolarHBondContact NE2-OD1 3.05Å; D162-D166 WeakPolarHBondContact O-CB 3.48Å; D162-D166 PolarHBondContact O-N 2.81Å; F164-D166 PolarHBondContact O-N 3.14Å; D166-W168 VanDerWaalsContact C-N 3.34Å; D166-W168 PolarHBondContact O-N 3.45Å; D166-V169 PolarHBondContact O-N 2.86Å; D166-L170 WeakPolarHBondContact O-CB 3.43Å; D166-L170 WeakPolarHBondContact O-CD1 3.35Å; D166-L170 WeakPolarHBondContact O-CG 3.36Å; D166-L170 PolarHBondContact O-N 3.37Å; D166-K190 IonicContact OD1-NZ 2.8Å; D166-K190 PolarHBondContact OD1-NZ 2.84Å; D166-K190 IonicContact OD2-NZ 3.21Å; D166-K190 PolarHBondContact OD2-NZ 3.17Å; D166-Y194 HydrophobicContact CB-CE1 4.14Å; D166-Y194 WeakPolarHBondContact OD1-CE1 3.5Å; D166-Y194 PolarHBondContact OD1-OH 2.93Å; D166-Y194 VanDerWaalsContact OD1-OH 3.05Å
167	R	94.7	Very high	93.6	Very high	164 Å²	164	52.6 Å²	52.6	62%	0.619	26%	0.255	S	S	*	.	H	α-helix	trans	-63.5	-39.8	175.1	-74.4	-178.6	-68.7	177.5	1.3	112.3	S163 F164 I165 L170 A171	S163-R167 WeakPolarHBondContact O-CG 3.42Å; S163-R167 PolarHBondContact O-N 3.48Å; S163-R167 PolarHBondContact O-NE 3.27Å; S163-R167 VanDerWaalsContact O-NE 3.16Å; F164-R167 PolarHBondContact O-N 3.35Å; I165-R167 VanDerWaalsContact C-N 3.33Å; I165-R167 PolarHBondContact O-N 3.27Å; R167-L170 PolarHBondContact O-N 2.91Å; R167-A171 PolarHBondContact O-N 2.79Å; R167-A171 VanDerWaalsContact O-N 3.11Å
168	W	94.8	Very high	93.3	Very high	30 Å²	30	52.1 Å²	52.1	11%	0.114	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-42	178.3	-173.8	104.2	0	0	0	111.9	V141 S142 E143 Y146 F164 I165 D166 A171 R172 L176	V141-W168 HydrophobicContact CG1-CD2 3.74Å; V141-W168 HydrophobicContact CG1-CE3 4.04Å; V141-W168 HydrophobicContact CG1-CG 4.01Å; V141-W168 HydrophobicContact CG1-CZ2 4.37Å; V141-W168 HydrophobicContact CG1-CZ3 4.47Å; S142-W168 VanDerWaalsContact C-CH2 3.47Å; S142-W168 WeakPolarHBondContact O-CH2 3.28Å; E143-W168 HydrophobicContact CB-CH2 4.42Å; E143-W168 HydrophobicContact CG-CH2 3.82Å; E143-W168 HydrophobicContact CG-CZ2 4.43Å; Y146-W168 HydrophobicContact CD1-CZ3 4.28Å; Y146-W168 HydrophobicContact CG-CZ3 4.16Å; F164-W168 WeakPolarHBondContact O-CB 3.4Å; F164-W168 PolarHBondContact O-N 2.81Å; I165-W168 CarbonylContact O-C 3.57Å; I165-W168 WeakPolarHBondContact O-CA 3.48Å; I165-W168 WeakPolarHBondContact O-CB 3.46Å; I165-W168 PolarHBondContact O-N 3.12Å; D166-W168 VanDerWaalsContact C-N 3.34Å; D166-W168 PolarHBondContact O-N 3.45Å; W168-A171 PolarHBondContact O-N 3.26Å; W168-R172 VanDerWaalsContact CZ2-CD 3.44Å; W168-R172 PolarHBondContact O-N 3.22Å; W168-L176 HydrophobicContact CE3-CD1 4.32Å; W168-L176 HydrophobicContact CZ3-CD1 3.7Å; W168-L176 HydrophobicContact CZ3-CD2 4.39Å
169	V	94.5	Very high	93.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-46.6	175.3	172.4	0	0	0	0	110.5	Y146 I165 D166 A171 R172 F173 L176 Y194	Y146-V169 HydrophobicContact CD2-CG2 3.47Å; Y146-V169 VanDerWaalsContact CD2-CG2 3.47Å; Y146-V169 HydrophobicContact CE2-CG2 3.76Å; Y146-V169 HydrophobicContact CG-CG2 4.34Å; I165-V169 HydrophobicContact CG2-CG2 4.15Å; I165-V169 WeakPolarHBondContact O-CG2 3.42Å; I165-V169 PolarHBondContact O-N 3.17Å; D166-V169 PolarHBondContact O-N 2.86Å; V169-A171 VanDerWaalsContact C-N 3.26Å; V169-A171 PolarHBondContact O-N 3.41Å; V169-R172 CarbonylContact O-C 3.49Å; V169-R172 PolarHBondContact O-N 3.39Å; V169-F173 HydrophobicContact CG1-CD2 4.47Å; V169-F173 VanDerWaalsContact O-CA 3.32Å; V169-F173 WeakPolarHBondContact O-CA 3.48Å; V169-F173 PolarHBondContact O-N 2.76Å; V169-L176 HydrophobicContact CB-CD1 4.35Å; V169-L176 HydrophobicContact CG1-CD1 4.1Å; V169-L176 HydrophobicContact CG2-CD1 4.25Å; V169-Y194 HydrophobicContact CB-CE2 4.47Å; V169-Y194 HydrophobicContact CG1-CD2 4.05Å; V169-Y194 HydrophobicContact CG1-CE1 4.44Å; V169-Y194 HydrophobicContact CG1-CE2 3.64Å
170	L	92.9	Very high	93.1	Very high	17 Å²	17	49.5 Å²	49.5	9%	0.089	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-36.7	178.7	-72.8	168.4	0	0	0	112.9	D166 R167 R172 Y194 Q199 V200 Q201	D166-L170 WeakPolarHBondContact O-CB 3.43Å; D166-L170 WeakPolarHBondContact O-CD1 3.35Å; D166-L170 WeakPolarHBondContact O-CG 3.36Å; D166-L170 PolarHBondContact O-N 3.37Å; R167-L170 PolarHBondContact O-N 2.91Å; L170-R172 VanDerWaalsContact C-N 3.32Å; L170-Y194 HydrophobicContact CD2-CD1 4.09Å; L170-Y194 HydrophobicContact CD2-CG 4.39Å; L170-Y194 HydrophobicContact CG-CD1 4.29Å; L170-Q199 HydrophobicContact CD1-CB 4.28Å; L170-V200 HydrophobicContact CD2-CB 4.38Å; L170-V200 HydrophobicContact CD2-CG2 3.47Å; L170-V200 VanDerWaalsContact CD2-CG2 3.47Å; L170-Q201 PolarHBondContact O-N 3.25Å
171	A	90.6	Very high	92.9	Very high	38 Å²	38	47.9 Å²	47.9	31%	0.314	24%	0.241	S	C	.	.	H	α-helix	trans	-72.2	-22.8	176.4	0	0	0	0	0	113.6	R167 W168 V169	R167-A171 PolarHBondContact O-N 2.79Å; R167-A171 VanDerWaalsContact O-N 3.11Å; W168-A171 PolarHBondContact O-N 3.26Å; V169-A171 VanDerWaalsContact C-N 3.26Å; V169-A171 PolarHBondContact O-N 3.41Å
172	R	91.2	Very high	92.8	Very high	91 Å²	91	47.9 Å²	47.9	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-118.1	13.2	-177.6	-69.6	175.4	-178.9	73.7	1.3	113.3	W168 V169 L170 S174 K175 L176	W168-R172 VanDerWaalsContact CZ2-CD 3.44Å; W168-R172 PolarHBondContact O-N 3.22Å; V169-R172 CarbonylContact O-C 3.49Å; V169-R172 PolarHBondContact O-N 3.39Å; L170-R172 VanDerWaalsContact C-N 3.32Å; R172-S174 PolarHBondContact O-N 3.36Å; R172-S174 VanDerWaalsContact O-N 3.08Å; R172-K175 PolarHBondContact O-N 3.28Å; R172-L176 HydrophobicContact CB-CD1 3.99Å; R172-L176 HydrophobicContact CB-CG 4.25Å; R172-L176 WeakPolarHBondContact O-CG 3.3Å; R172-L176 PolarHBondContact O-N 2.88Å; R172-L176 VanDerWaalsContact O-N 3.09Å
173	F	91.9	Very high	92.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-54.7	-38.8	-172.7	-169.1	-87.6	0	0	0	111.2	V169 K175 L176 R177 F182 L191 Y194 L195 V200 D203 L208 A211	V169-F173 HydrophobicContact CG1-CD2 4.47Å; V169-F173 VanDerWaalsContact O-CA 3.32Å; V169-F173 WeakPolarHBondContact O-CA 3.48Å; V169-F173 PolarHBondContact O-N 2.76Å; F173-K175 VanDerWaalsContact C-N 3.27Å; F173-K175 PolarHBondContact O-N 3.25Å; F173-L176 PolarHBondContact O-N 3.33Å; F173-R177 HydrophobicContact CD1-CB 4.14Å; F173-R177 HydrophobicContact CE1-CB 3.85Å; F173-R177 HydrophobicContact CZ-CB 4.39Å; F173-R177 VanDerWaalsContact O-CB 3.27Å; F173-R177 WeakPolarHBondContact O-CB 3.35Å; F173-R177 PolarHBondContact O-N 2.96Å; F173-F182 HydrophobicContact CD2-CE2 4.4Å; F173-F182 HydrophobicContact CD2-CZ 4.43Å; F173-F182 AromaticContact CE2-CE2 3.98Å; F173-F182 HydrophobicContact CE2-CE2 3.98Å; F173-F182 AromaticContact CE2-CZ 3.62Å; F173-F182 HydrophobicContact CE2-CZ 3.62Å; F173-F182 AromaticContact CZ-CZ 3.82Å; F173-F182 HydrophobicContact CZ-CZ 3.82Å; F173-L191 HydrophobicContact CE2-CD1 4.37Å; F173-L191 HydrophobicContact CZ-CD1 4.25Å; F173-Y194 HydrophobicContact CE2-CD2 4.19Å; F173-Y194 HydrophobicContact CE2-CG 4.44Å; F173-L195 HydrophobicContact CZ-CD2 4.26Å; F173-V200 HydrophobicContact CB-CG1 3.92Å; F173-V200 HydrophobicContact CD1-CG1 3.91Å; F173-V200 HydrophobicContact CG-CG1 3.88Å; F173-D203 WeakPolarHBondContact CD1-OD2 3.48Å; F173-L208 HydrophobicContact CD1-CD2 3.85Å; F173-L208 HydrophobicContact CE1-CD2 3.45Å; F173-L208 VanDerWaalsContact CE1-CD2 3.45Å; F173-L208 HydrophobicContact CZ-CD2 4.26Å; F173-A211 HydrophobicContact CE1-CB 4.46Å
174	S	89.4	Confident	92.4	Very high	34 Å²	34	49 Å²	49	24%	0.238	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-34.2	179.8	62.4	0	0	0	0	114.2	R172 R177 D203	R172-S174 PolarHBondContact O-N 3.36Å; R172-S174 VanDerWaalsContact O-N 3.08Å; S174-R177 PolarHBondContact O-NH1 3.27Å; S174-D203 WeakPolarHBondContact CA-OD2 3.23Å; S174-D203 VanDerWaalsContact CB-OD2 3.3Å; S174-D203 WeakPolarHBondContact CB-OD2 3.17Å; S174-D203 PolarHBondContact N-OD2 3.13Å
175	K	90.1	Very high	92.2	Very high	136 Å²	136	50.7 Å²	50.7	59%	0.591	25%	0.251	S	S	*	.	H	α-helix	trans	-81.8	-43.5	175.5	-62.8	-177.1	178.7	-175.9	0	111.6	R172 F173	R172-K175 PolarHBondContact O-N 3.28Å; F173-K175 VanDerWaalsContact C-N 3.27Å; F173-K175 PolarHBondContact O-N 3.25Å
176	L	92.1	Very high	92.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-73.4	-31.2	-172.2	-62.1	171.8	0	0	0	113.2	E143 Y146 W168 V169 R172 F173 L178 T179 F182	E143-L176 HydrophobicContact CB-CD2 4.22Å; E143-L176 HydrophobicContact CG-CD2 4.16Å; Y146-L176 HydrophobicContact CE1-CD2 3.94Å; W168-L176 HydrophobicContact CE3-CD1 4.32Å; W168-L176 HydrophobicContact CZ3-CD1 3.7Å; W168-L176 HydrophobicContact CZ3-CD2 4.39Å; V169-L176 HydrophobicContact CB-CD1 4.35Å; V169-L176 HydrophobicContact CG1-CD1 4.1Å; V169-L176 HydrophobicContact CG2-CD1 4.25Å; R172-L176 HydrophobicContact CB-CD1 3.99Å; R172-L176 HydrophobicContact CB-CG 4.25Å; R172-L176 WeakPolarHBondContact O-CG 3.3Å; R172-L176 PolarHBondContact O-N 2.88Å; R172-L176 VanDerWaalsContact O-N 3.09Å; F173-L176 PolarHBondContact O-N 3.33Å; L176-L178 PolarHBondContact O-N 3.11Å; L176-T179 PolarHBondContact O-N 2.84Å; L176-T179 PolarHBondContact O-OG1 2.71Å; L176-F182 HydrophobicContact CB-CD2 4.22Å; L176-F182 WeakPolarHBondContact O-CB 3.47Å; L176-F182 WeakPolarHBondContact O-CG 3.38Å
177	R	90.9	Very high	92	Very high	32 Å²	32	51.7 Å²	51.7	12%	0.121	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.8	-170.9	74.4	-174	-166.3	-103.8	-1.1	115.6	F173 S174 F182 D203 A211	F173-R177 HydrophobicContact CD1-CB 4.14Å; F173-R177 HydrophobicContact CE1-CB 3.85Å; F173-R177 HydrophobicContact CZ-CB 4.39Å; F173-R177 VanDerWaalsContact O-CB 3.27Å; F173-R177 WeakPolarHBondContact O-CB 3.35Å; F173-R177 PolarHBondContact O-N 2.96Å; S174-R177 PolarHBondContact O-NH1 3.27Å; R177-F182 HydrophobicContact CB-CE1 4.42Å; R177-D203 IonicContact CZ-OD1 3.65Å; R177-D203 VanDerWaalsContact CZ-OD1 3.3Å; R177-D203 IonicContact NE-OD1 4Å; R177-D203 IonicContact NH1-OD1 3.19Å; R177-D203 PolarHBondContact NH1-OD1 3Å; R177-D203 IonicContact NH1-OD2 3.4Å; R177-D203 PolarHBondContact NH1-OD2 3.31Å; R177-D203 IonicContact NH2-OD1 2.82Å; R177-A211 HydrophobicContact CB-CB 3.87Å; R177-A211 HydrophobicContact CG-CB 4.31Å
178	L	87.6	Confident	92	Very high	87 Å²	87	45.8 Å²	45.8	46%	0.455	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-2.8	-179	-61.2	-179.9	0	0	0	113	L176	L176-L178 PolarHBondContact O-N 3.11Å
179	T	93.3	Very high	91.9	Very high	37 Å²	37	48.7 Å²	48.7	23%	0.227	25%	0.254	C	S	.	.	S	Bend	trans	-72.9	145.2	-178.6	66.9	0	0	0	0	110.6	L176 D181 F182 L183	L176-T179 PolarHBondContact O-N 2.84Å; L176-T179 PolarHBondContact O-OG1 2.71Å; T179-D181 VanDerWaalsContact C-N 3.26Å; T179-D181 PolarHBondContact O-N 2.88Å; T179-F182 PolarHBondContact O-N 3.38Å; T179-F182 VanDerWaalsContact OG1-CB 3.28Å; T179-F182 WeakPolarHBondContact OG1-CB 3.41Å; T179-F182 PolarHBondContact OG1-N 3.39Å; T179-L183 WeakPolarHBondContact O-CG 3.31Å; T179-L183 PolarHBondContact O-N 2.99Å; T179-L183 VanDerWaalsContact O-N 3.11Å
180	P	91.5	Very high	91.9	Very high	82 Å²	82	49.3 Å²	49.3	53%	0.532	26%	0.256	S	S	.	.	H	α-helix	trans	-55.5	-42.1	177.8	-26	35	0	0	0	112.4	F182 L183 Q184	P180-F182 PolarHBondContact O-N 2.83Å; P180-L183 PolarHBondContact O-N 2.93Å; P180-Q184 WeakPolarHBondContact O-CB 3.31Å; P180-Q184 WeakPolarHBondContact O-CG 3.4Å; P180-Q184 PolarHBondContact O-N 3.14Å
181	D	90.3	Very high	92	Very high	77 Å²	77	48.5 Å²	48.5	41%	0.412	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-40	-179.1	-57.9	-41.6	0	0	0	112.1	L147 T179 N185	L147-D181 HydrophobicContact CD1-CB 3.79Å; L147-D181 WeakPolarHBondContact CD1-O 3.45Å; T179-D181 VanDerWaalsContact C-N 3.26Å; T179-D181 PolarHBondContact O-N 2.88Å; D181-N185 WeakPolarHBondContact O-CA 3.39Å; D181-N185 WeakPolarHBondContact O-CB 3.33Å; D181-N185 PolarHBondContact O-N 3.34Å
182	F	93.4	Very high	92.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-46.4	174.8	-176.8	-81.5	0	0	0	111.2	F173 L176 R177 T179 P180 L186 L191	F173-F182 HydrophobicContact CD2-CE2 4.4Å; F173-F182 HydrophobicContact CD2-CZ 4.43Å; F173-F182 AromaticContact CE2-CE2 3.98Å; F173-F182 HydrophobicContact CE2-CE2 3.98Å; F173-F182 AromaticContact CE2-CZ 3.62Å; F173-F182 HydrophobicContact CE2-CZ 3.62Å; F173-F182 AromaticContact CZ-CZ 3.82Å; F173-F182 HydrophobicContact CZ-CZ 3.82Å; L176-F182 HydrophobicContact CB-CD2 4.22Å; L176-F182 WeakPolarHBondContact O-CB 3.47Å; L176-F182 WeakPolarHBondContact O-CG 3.38Å; R177-F182 HydrophobicContact CB-CE1 4.42Å; T179-F182 PolarHBondContact O-N 3.38Å; T179-F182 VanDerWaalsContact OG1-CB 3.28Å; T179-F182 WeakPolarHBondContact OG1-CB 3.41Å; T179-F182 PolarHBondContact OG1-N 3.39Å; P180-F182 PolarHBondContact O-N 2.83Å; F182-L186 HydrophobicContact CD1-CD2 4.41Å; F182-L186 HydrophobicContact CD2-CD2 4Å; F182-L186 HydrophobicContact CE1-CD2 3.96Å; F182-L186 HydrophobicContact CE2-CD2 3.52Å; F182-L186 HydrophobicContact CG-CD2 4.42Å; F182-L186 HydrophobicContact CZ-CD2 3.49Å; F182-L186 VanDerWaalsContact CZ-CD2 3.49Å; F182-L186 WeakPolarHBondContact O-CB 3.45Å; F182-L186 PolarHBondContact O-N 3.45Å; F182-L191 HydrophobicContact CE1-CD1 4Å; F182-L191 HydrophobicContact CZ-CD1 3.67Å
183	L	92.8	Very high	92.4	Very high	17 Å²	17	45.6 Å²	45.6	9%	0.089	24%	0.243	C	C	.	.	H	α-helix	trans	-69.8	-35.3	-177.1	-66.5	176.5	0	0	0	112.4	T179 P180 Q214 W215 Q218 R222	T179-L183 WeakPolarHBondContact O-CG 3.31Å; T179-L183 PolarHBondContact O-N 2.99Å; T179-L183 VanDerWaalsContact O-N 3.11Å; P180-L183 PolarHBondContact O-N 2.93Å; L183-Q214 HydrophobicContact CD1-CB 4.48Å; L183-Q214 HydrophobicContact CD2-CB 3.85Å; L183-W215 HydrophobicContact CD2-CB 4.13Å; L183-Q218 HydrophobicContact CB-CG 3.88Å; L183-R222 PolarHBondContact O-NH1 3.23Å
184	Q	91.2	Very high	92.5	Very high	103 Å²	103	45.6 Å²	45.6	48%	0.481	24%	0.243	S	C	.	.	H	α-helix	trans	-89.5	-46.5	-175.5	-67.1	178.1	12.2	0	0	112.7	P180 R222	P180-Q184 WeakPolarHBondContact O-CB 3.31Å; P180-Q184 WeakPolarHBondContact O-CG 3.4Å; P180-Q184 PolarHBondContact O-N 3.14Å; Q184-R222 PolarHBondContact O-NH2 2.87Å
185	N	92.1	Very high	92.7	Very high	93 Å²	93	44 Å²	44	50%	0.497	23%	0.232	S	C	.	.	H	α-helix	trans	-104.2	-13.2	-164.3	-60.1	-36.1	0	0	0	114.2	L147 D181 P187	L147-N185 HydrophobicContact CD1-CB 4.13Å; D181-N185 WeakPolarHBondContact O-CA 3.39Å; D181-N185 WeakPolarHBondContact O-CB 3.33Å; D181-N185 PolarHBondContact O-N 3.34Å; N185-P187 WeakPolarHBondContact O-CD 3.5Å
186	L	93.9	Very high	92.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.223	C	C	.	.			trans	-68.9	126.5	-178.7	-172	71.3	0	0	0	112.1	L147 F182 K190 L191 Y194 W215	L147-L186 HydrophobicContact CD2-CD1 3.72Å; F182-L186 HydrophobicContact CD1-CD2 4.41Å; F182-L186 HydrophobicContact CD2-CD2 4Å; F182-L186 HydrophobicContact CE1-CD2 3.96Å; F182-L186 HydrophobicContact CE2-CD2 3.52Å; F182-L186 HydrophobicContact CG-CD2 4.42Å; F182-L186 HydrophobicContact CZ-CD2 3.49Å; F182-L186 VanDerWaalsContact CZ-CD2 3.49Å; F182-L186 WeakPolarHBondContact O-CB 3.45Å; F182-L186 PolarHBondContact O-N 3.45Å; L186-K190 HydrophobicContact CD1-CB 3.89Å; L186-K190 HydrophobicContact CG-CB 4.35Å; L186-L191 HydrophobicContact CD2-CB 3.79Å; L186-L191 HydrophobicContact CD2-CD1 3.91Å; L186-L191 HydrophobicContact CD2-CG 4.36Å; L186-Y194 HydrophobicContact CD1-CE2 3.9Å; L186-Y194 HydrophobicContact CD2-CD2 4.19Å; L186-Y194 HydrophobicContact CD2-CE2 4.09Å; L186-W215 WeakPolarHBondContact O-CZ2 3.37Å; L186-W215 PolarHBondContact O-NE1 3.27Å
187	P	93.1	Very high	92.7	Very high	46 Å²	46	41.5 Å²	41.5	30%	0.299	23%	0.231	S	C	.	.			trans	-68.5	149.2	177	-21.9	34.2	0	0	0	114.1	N185 H189 K190 L191	N185-P187 WeakPolarHBondContact O-CD 3.5Å; P187-H189 VanDerWaalsContact C-N 3.34Å; P187-H189 WeakPolarHBondContact CB-CE1 3.16Å; P187-H189 WeakPolarHBondContact CB-ND1 3.49Å; P187-H189 PolarHBondContact O-N 3.17Å; P187-K190 PolarHBondContact O-N 3.35Å; P187-K190 VanDerWaalsContact O-N 3.14Å; P187-L191 PolarHBondContact O-N 3.14Å; P187-L191 VanDerWaalsContact O-N 3.12Å
188	L	93.8	Very high	92.4	Very high	39 Å²	39	42.6 Å²	42.6	20%	0.204	24%	0.244	C	C	.	.	H	α-helix	trans	-52.3	-46.4	178.1	176.3	65.9	0	0	0	113.2	K190 L191 T192 W215 H225 L229	L188-K190 VanDerWaalsContact C-N 3.3Å; L188-K190 PolarHBondContact O-N 2.87Å; L188-L191 PolarHBondContact O-N 3.03Å; L188-T192 VanDerWaalsContact O-CB 3.31Å; L188-T192 WeakPolarHBondContact O-CB 3.28Å; L188-T192 PolarHBondContact O-N 2.74Å; L188-T192 PolarHBondContact O-OG1 3.25Å; L188-W215 HydrophobicContact CB-CH2 3.91Å; L188-W215 HydrophobicContact CB-CZ2 4.35Å; L188-W215 HydrophobicContact CD1-CH2 3.68Å; L188-W215 HydrophobicContact CD1-CZ3 3.94Å; L188-W215 HydrophobicContact CG-CH2 4.39Å; L188-H225 HydrophobicContact CD1-CB 3.98Å; L188-H225 HydrophobicContact CD2-CB 3.77Å; L188-H225 VanDerWaalsContact CD2-CG 3.47Å; L188-L229 HydrophobicContact CD1-CD1 4.37Å
189	H	93.5	Very high	92.3	Very high	92 Å²	92	44.2 Å²	44.2	43%	0.426	25%	0.249	S	C	.	.	H	α-helix	trans	-64.4	-34.8	-176.9	68.6	-84	0	0	0	112.4	P187 S193	P187-H189 VanDerWaalsContact C-N 3.34Å; P187-H189 WeakPolarHBondContact CB-CE1 3.16Å; P187-H189 WeakPolarHBondContact CB-ND1 3.49Å; P187-H189 PolarHBondContact O-N 3.17Å; H189-S193 WeakPolarHBondContact O-CB 3.46Å; H189-S193 PolarHBondContact O-N 3.12Å
190	K	94.2	Very high	91.9	Very high	13 Å²	13	42.9 Å²	42.9	6%	0.057	24%	0.241	C	C	.	.	H	α-helix	trans	-70.7	-47.7	175.7	-73.3	-60.3	-176.6	163.3	0	111.6	Q150 D162 D166 L186 P187 L188 T192 S193 Y194	Q150-K190 VanDerWaalsContact NE2-CD 3.32Å; D162-K190 WeakPolarHBondContact OD1-CE 3.41Å; D162-K190 IonicContact OD1-NZ 2.74Å; D162-K190 PolarHBondContact OD1-NZ 2.99Å; D162-K190 IonicContact OD2-NZ 2.74Å; D162-K190 PolarHBondContact OD2-NZ 3.33Å; D166-K190 IonicContact OD1-NZ 2.8Å; D166-K190 PolarHBondContact OD1-NZ 2.84Å; D166-K190 IonicContact OD2-NZ 3.21Å; D166-K190 PolarHBondContact OD2-NZ 3.17Å; L186-K190 HydrophobicContact CD1-CB 3.89Å; L186-K190 HydrophobicContact CG-CB 4.35Å; P187-K190 PolarHBondContact O-N 3.35Å; P187-K190 VanDerWaalsContact O-N 3.14Å; L188-K190 VanDerWaalsContact C-N 3.3Å; L188-K190 PolarHBondContact O-N 2.87Å; K190-T192 VanDerWaalsContact C-N 3.29Å; K190-T192 PolarHBondContact O-N 3.14Å; K190-S193 WeakPolarHBondContact O-CB 3.48Å; K190-S193 PolarHBondContact O-N 2.92Å; K190-S193 VanDerWaalsContact O-N 3.17Å; K190-Y194 HydrophobicContact CB-CE2 4.05Å; K190-Y194 HydrophobicContact CD-CE1 4.49Å; K190-Y194 WeakPolarHBondContact O-CD1 3.42Å; K190-Y194 WeakPolarHBondContact O-CD2 3.09Å; K190-Y194 PolarHBondContact O-N 2.84Å
191	L	95.2	Very high	91	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-40.9	176.2	-172.8	61.6	0	0	0	112	F173 F182 L186 P187 L188 Y194 L195 W215 L229	F173-L191 HydrophobicContact CE2-CD1 4.37Å; F173-L191 HydrophobicContact CZ-CD1 4.25Å; F182-L191 HydrophobicContact CE1-CD1 4Å; F182-L191 HydrophobicContact CZ-CD1 3.67Å; L186-L191 HydrophobicContact CD2-CB 3.79Å; L186-L191 HydrophobicContact CD2-CD1 3.91Å; L186-L191 HydrophobicContact CD2-CG 4.36Å; P187-L191 PolarHBondContact O-N 3.14Å; P187-L191 VanDerWaalsContact O-N 3.12Å; L188-L191 PolarHBondContact O-N 3.03Å; L191-Y194 PolarHBondContact O-N 2.79Å; L191-L195 HydrophobicContact CD1-CD1 4.46Å; L191-L195 HydrophobicContact CD1-CG 4.25Å; L191-L195 HydrophobicContact CG-CD1 4.19Å; L191-L195 HydrophobicContact CG-CG 4.35Å; L191-L195 WeakPolarHBondContact O-CB 3.37Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 3.14Å; L191-W215 HydrophobicContact CD2-CB 4Å; L191-W215 HydrophobicContact CD2-CD2 3.47Å; L191-W215 VanDerWaalsContact CD2-CD2 3.47Å; L191-W215 HydrophobicContact CD2-CE3 3.73Å; L191-W215 HydrophobicContact CD2-CG 3.58Å; L191-W215 HydrophobicContact CD2-CZ3 4.43Å; L191-L229 HydrophobicContact CB-CD1 4.34Å; L191-L229 HydrophobicContact CD2-CD1 3.93Å; L191-L229 HydrophobicContact CD2-CD2 3.8Å; L191-L229 HydrophobicContact CD2-CG 4.45Å; L191-L229 HydrophobicContact CG-CD1 3.9Å
192	T	95.3	Very high	90	Very high	16 Å²	16	43.5 Å²	43.5	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-60	-47.4	175.1	-56.1	0	0	0	0	110.8	L188 K190 Y194 L195 S196 H232	L188-T192 VanDerWaalsContact O-CB 3.31Å; L188-T192 WeakPolarHBondContact O-CB 3.28Å; L188-T192 PolarHBondContact O-N 2.74Å; L188-T192 PolarHBondContact O-OG1 3.25Å; K190-T192 VanDerWaalsContact C-N 3.29Å; K190-T192 PolarHBondContact O-N 3.14Å; T192-Y194 PolarHBondContact O-N 2.82Å; T192-L195 PolarHBondContact O-N 3.24Å; T192-S196 VanDerWaalsContact O-CB 3.31Å; T192-S196 WeakPolarHBondContact O-CB 3.43Å; T192-S196 PolarHBondContact O-N 3.49Å; T192-S196 PolarHBondContact O-OG 3.45Å; T192-H232 VanDerWaalsContact CG2-NE2 3.29Å; T192-H232 WeakPolarHBondContact CG2-NE2 3.43Å
193	S	94.6	Very high	89.1	Confident	52 Å²	52	44.4 Å²	44.4	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-56.6	-48.1	174.4	-178.7	0	0	0	0	111.3	H189 K190 S196 S197	H189-S193 WeakPolarHBondContact O-CB 3.46Å; H189-S193 PolarHBondContact O-N 3.12Å; K190-S193 WeakPolarHBondContact O-CB 3.48Å; K190-S193 PolarHBondContact O-N 2.92Å; K190-S193 VanDerWaalsContact O-N 3.17Å; S193-S196 PolarHBondContact O-N 3.39Å; S193-S196 PolarHBondContact O-OG 3.47Å; S193-S197 PolarHBondContact O-N 3.45Å
194	Y	94	Very high	88.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.9	-48.9	179.9	-56.1	-25.5	0	0	0	112.1	Q150 D166 V169 L170 F173 L186 K190 L191 T192 S196 S197 V200	Q150-Y194 PolarHBondContact NE2-OH 2.79Å; Q150-Y194 VanDerWaalsContact NE2-OH 3.17Å; Q150-Y194 PolarHBondContact OE1-OH 2.91Å; D166-Y194 HydrophobicContact CB-CE1 4.14Å; D166-Y194 WeakPolarHBondContact OD1-CE1 3.5Å; D166-Y194 PolarHBondContact OD1-OH 2.93Å; D166-Y194 VanDerWaalsContact OD1-OH 3.05Å; V169-Y194 HydrophobicContact CB-CE2 4.47Å; V169-Y194 HydrophobicContact CG1-CD2 4.05Å; V169-Y194 HydrophobicContact CG1-CE1 4.44Å; V169-Y194 HydrophobicContact CG1-CE2 3.64Å; L170-Y194 HydrophobicContact CD2-CD1 4.09Å; L170-Y194 HydrophobicContact CD2-CG 4.39Å; L170-Y194 HydrophobicContact CG-CD1 4.29Å; F173-Y194 HydrophobicContact CE2-CD2 4.19Å; F173-Y194 HydrophobicContact CE2-CG 4.44Å; L186-Y194 HydrophobicContact CD1-CE2 3.9Å; L186-Y194 HydrophobicContact CD2-CD2 4.19Å; L186-Y194 HydrophobicContact CD2-CE2 4.09Å; K190-Y194 HydrophobicContact CB-CE2 4.05Å; K190-Y194 HydrophobicContact CD-CE1 4.49Å; K190-Y194 WeakPolarHBondContact O-CD1 3.42Å; K190-Y194 WeakPolarHBondContact O-CD2 3.09Å; K190-Y194 PolarHBondContact O-N 2.84Å; L191-Y194 PolarHBondContact O-N 2.79Å; T192-Y194 PolarHBondContact O-N 2.82Å; Y194-S196 VanDerWaalsContact C-N 3.26Å; Y194-S196 PolarHBondContact O-N 3.11Å; Y194-S197 WeakPolarHBondContact O-CB 3.37Å; Y194-S197 PolarHBondContact O-N 2.77Å; Y194-S197 VanDerWaalsContact O-N 3.1Å; Y194-V200 WeakPolarHBondContact O-CG2 3.39Å
195	L	93.2	Very high	88.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-26.5	178	-66.3	-178.7	0	0	0	113	F173 L191 T192 L208 A212 L229 H232 I233 R289	F173-L195 HydrophobicContact CZ-CD2 4.26Å; L191-L195 HydrophobicContact CD1-CD1 4.46Å; L191-L195 HydrophobicContact CD1-CG 4.25Å; L191-L195 HydrophobicContact CG-CD1 4.19Å; L191-L195 HydrophobicContact CG-CG 4.35Å; L191-L195 WeakPolarHBondContact O-CB 3.37Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 3.14Å; T192-L195 PolarHBondContact O-N 3.24Å; L195-L208 HydrophobicContact CD2-CB 4Å; L195-L208 HydrophobicContact CD2-CD2 4.17Å; L195-L208 HydrophobicContact CD2-CG 4.46Å; L195-A212 HydrophobicContact CD1-CB 4.03Å; L195-L229 HydrophobicContact CD1-CD1 3.59Å; L195-L229 HydrophobicContact CD1-CD2 4.41Å; L195-L229 HydrophobicContact CD1-CG 3.7Å; L195-H232 HydrophobicContact CB-CB 3.82Å; L195-I233 HydrophobicContact CD1-CD1 4.31Å; L195-I233 HydrophobicContact CD2-CD1 4.09Å; L195-R289 PolarHBondContact O-NH1 2.96Å; L195-R289 PolarHBondContact O-NH2 3.29Å
196	S	92.4	Very high	88.8	Confident	58 Å²	58	40.7 Å²	40.7	41%	0.406	22%	0.221	S	C	.	.	H	α-helix	trans	-75.6	-28.1	173.9	77.4	0	0	0	0	112.5	T192 S193 Y194	T192-S196 VanDerWaalsContact O-CB 3.31Å; T192-S196 WeakPolarHBondContact O-CB 3.43Å; T192-S196 PolarHBondContact O-N 3.49Å; T192-S196 PolarHBondContact O-OG 3.45Å; S193-S196 PolarHBondContact O-N 3.39Å; S193-S196 PolarHBondContact O-OG 3.47Å; Y194-S196 VanDerWaalsContact C-N 3.26Å; Y194-S196 PolarHBondContact O-N 3.11Å
197	S	90.8	Very high	88.6	Confident	26 Å²	26	42.6 Å²	42.6	18%	0.182	23%	0.231	C	C	.	.			trans	-69.1	130.6	-172.3	-178.7	0	0	0	0	113.4	S193 Y194 Q199 R289	S193-S197 PolarHBondContact O-N 3.45Å; Y194-S197 WeakPolarHBondContact O-CB 3.37Å; Y194-S197 PolarHBondContact O-N 2.77Å; Y194-S197 VanDerWaalsContact O-N 3.1Å; S197-Q199 PolarHBondContact O-N 3.49Å; S197-Q199 WeakPolarHBondContact OG-CB 3.43Å; S197-Q199 PolarHBondContact OG-N 3.01Å; S197-Q199 VanDerWaalsContact OG-N 3.14Å; S197-R289 PolarHBondContact O-NH1 2.93Å
198	S	85.5	Confident	88.6	Confident	55 Å²	55	40.4 Å²	40.4	39%	0.385	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.2	171.3	57.5	0	0	0	0	113.4	G290	S198-G290 VanDerWaalsContact O-CA 3.23Å; S198-G290 WeakPolarHBondContact O-CA 3.32Å; S198-G290 PolarHBondContact O-N 3.33Å
199	Q	84.4	Confident	88.7	Confident	120 Å²	120	39 Å²	39	56%	0.561	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-0.1	-175.4	-57.5	-62.3	-40.7	0	0	113.8	L170 S197 Q201	L170-Q199 HydrophobicContact CD1-CB 4.28Å; S197-Q199 PolarHBondContact O-N 3.49Å; S197-Q199 WeakPolarHBondContact OG-CB 3.43Å; S197-Q199 PolarHBondContact OG-N 3.01Å; S197-Q199 VanDerWaalsContact OG-N 3.14Å; Q199-Q201 WeakPolarHBondContact O-CG 3.48Å; Q199-Q201 PolarHBondContact O-N 2.83Å
200	V	84	Confident	88.6	Confident	9 Å²	9	38.4 Å²	38.4	6%	0.055	21%	0.207	C	C	.	.			trans	-61.4	114.9	173.4	-177.3	0	0	0	0	108.4	L170 F173 Y194 L208	L170-V200 HydrophobicContact CD2-CB 4.38Å; L170-V200 HydrophobicContact CD2-CG2 3.47Å; L170-V200 VanDerWaalsContact CD2-CG2 3.47Å; F173-V200 HydrophobicContact CB-CG1 3.92Å; F173-V200 HydrophobicContact CD1-CG1 3.91Å; F173-V200 HydrophobicContact CG-CG1 3.88Å; Y194-V200 WeakPolarHBondContact O-CG2 3.39Å; V200-L208 HydrophobicContact CG1-CD2 3.91Å
201	Q	73.1	Confident	88.6	Confident	71 Å²	71	37.9 Å²	37.9	33%	0.332	21%	0.205	S	C	.	.			trans	-90.9	141.8	-174.3	-61.2	-168.2	-28	0	0	112.1	L170 Q199 D203	L170-Q201 PolarHBondContact O-N 3.25Å; Q199-Q201 WeakPolarHBondContact O-CG 3.48Å; Q199-Q201 PolarHBondContact O-N 2.83Å; Q201-D203 VanDerWaalsContact C-N 3.29Å; Q201-D203 PolarHBondContact O-N 2.93Å
202	Y	68.8	Low	88.6	Confident	102 Å²	102	37.9 Å²	37.9	40%	0.4	21%	0.205	S	C	.	.	S	Bend	trans	61.6	23.2	165.5	-40.9	-50.2	0	0	0	117	P599 P600	Y202-P599 HydrophobicContact CD1-CB 3.72Å; Y202-P599 HydrophobicContact CD1-CG 3.85Å; Y202-P599 HydrophobicContact CE1-CB 3.44Å; Y202-P599 VanDerWaalsContact CE1-CB 3.44Å; Y202-P599 HydrophobicContact CE1-CG 3.96Å; Y202-P600 WeakPolarHBondContact OH-CD 3.44Å; Y202-P600 WeakPolarHBondContact OH-CG 3.48Å
203	D	75.4	Confident	88.5	Confident	19 Å²	19	37.3 Å²	37.3	10%	0.102	20%	0.201	C	C	.	.			trans	-117.1	134.2	171.5	-88.5	-47.9	0	0	0	112.5	F173 S174 R177 Q201 N207 L208	F173-D203 WeakPolarHBondContact CD1-OD2 3.48Å; S174-D203 WeakPolarHBondContact CA-OD2 3.23Å; S174-D203 VanDerWaalsContact CB-OD2 3.3Å; S174-D203 WeakPolarHBondContact CB-OD2 3.17Å; S174-D203 PolarHBondContact N-OD2 3.13Å; R177-D203 IonicContact CZ-OD1 3.65Å; R177-D203 VanDerWaalsContact CZ-OD1 3.3Å; R177-D203 IonicContact NE-OD1 4Å; R177-D203 IonicContact NH1-OD1 3.19Å; R177-D203 PolarHBondContact NH1-OD1 3Å; R177-D203 IonicContact NH1-OD2 3.4Å; R177-D203 PolarHBondContact NH1-OD2 3.31Å; R177-D203 IonicContact NH2-OD1 2.82Å; Q201-D203 VanDerWaalsContact C-N 3.29Å; Q201-D203 PolarHBondContact O-N 2.93Å; D203-N207 HydrophobicContact CB-CB 4.21Å; D203-N207 VanDerWaalsContact OD1-CB 3.3Å; D203-N207 WeakPolarHBondContact OD1-CB 3.33Å; D203-N207 PolarHBondContact OD1-ND2 2.95Å; D203-L208 HydrophobicContact CB-CD2 3.73Å; D203-L208 HydrophobicContact CB-CG 4.15Å
204	S	86.9	Confident	88.5	Confident	57 Å²	57	37.8 Å²	37.8	40%	0.399	20%	0.198	S	C	.	.			trans	-70.4	152.8	168.5	69.6	0	0	0	0	109.6	Q206 N207 L208	S204-Q206 PolarHBondContact O-N 3.37Å; S204-Q206 PolarHBondContact OG-N 3.32Å; S204-N207 WeakPolarHBondContact O-CB 3.15Å; S204-N207 PolarHBondContact O-N 3.11Å; S204-N207 PolarHBondContact OG-N 3.02Å; S204-N207 VanDerWaalsContact OG-N 3.13Å; S204-N207 PolarHBondContact OG-OD1 3.15Å; S204-L208 PolarHBondContact O-N 2.9Å
205	E	91.2	Very high	88.6	Confident	20 Å²	20	38 Å²	38	9%	0.093	20%	0.199	C	C	.	.	H	α-helix	trans	-55.6	-25.5	172.8	-67.5	-66	152.4	0	0	111.8	L209 I233 R234 M238 R289	E205-L209 WeakPolarHBondContact O-CB 3.23Å; E205-L209 PolarHBondContact O-N 3.18Å; E205-I233 HydrophobicContact CB-CG2 4.48Å; E205-R234 HydrophobicContact CG-CB 3.95Å; E205-R234 IonicContact OE1-NE 2.81Å; E205-R234 PolarHBondContact OE2-N 2.83Å; E205-M238 HydrophobicContact CB-CE 3.39Å; E205-M238 HydrophobicContact CB-CG 4.38Å; E205-M238 VanDerWaalsContact O-CE 3.29Å; E205-M238 WeakPolarHBondContact O-CE 3.33Å; E205-R289 IonicContact OE1-CZ 3.54Å; E205-R289 IonicContact OE1-NE 3.02Å; E205-R289 PolarHBondContact OE1-NE 3.11Å; E205-R289 IonicContact OE1-NH2 2.93Å; E205-R289 PolarHBondContact OE1-NH2 2.73Å; E205-R289 IonicContact OE2-NH2 2.73Å
206	Q	90.8	Very high	88.6	Confident	58 Å²	58	38.3 Å²	38.3	27%	0.271	20%	0.2	S	C	.	.	H	α-helix	trans	-69.8	-41.9	174.7	-161.9	-163.6	-31	0	0	112.3	S204 L208 L209 Q210	S204-Q206 PolarHBondContact O-N 3.37Å; S204-Q206 PolarHBondContact OG-N 3.32Å; Q206-L208 VanDerWaalsContact C-N 3.33Å; Q206-L209 WeakPolarHBondContact O-CB 3.47Å; Q206-L209 PolarHBondContact O-N 3.38Å; Q206-Q210 PolarHBondContact O-N 3.1Å
207	N	90.8	Very high	88.6	Confident	42 Å²	42	38.3 Å²	38.3	23%	0.225	21%	0.209	C	C	.	.	H	α-helix	trans	-66.1	-38.7	175	-69.8	-7.6	0	0	0	111.3	D203 S204 Q210 A211	D203-N207 HydrophobicContact CB-CB 4.21Å; D203-N207 VanDerWaalsContact OD1-CB 3.3Å; D203-N207 WeakPolarHBondContact OD1-CB 3.33Å; D203-N207 PolarHBondContact OD1-ND2 2.95Å; S204-N207 WeakPolarHBondContact O-CB 3.15Å; S204-N207 PolarHBondContact O-N 3.11Å; S204-N207 PolarHBondContact OG-N 3.02Å; S204-N207 VanDerWaalsContact OG-N 3.13Å; S204-N207 PolarHBondContact OG-OD1 3.15Å; N207-Q210 PolarHBondContact O-N 3.36Å; N207-A211 PolarHBondContact O-N 3.31Å
208	L	93.6	Very high	88.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-43.4	175.4	-61.5	-175.9	0	0	0	111.5	F173 L195 V200 D203 S204 Q206 Q210 A211 A212 I233	F173-L208 HydrophobicContact CD1-CD2 3.85Å; F173-L208 HydrophobicContact CE1-CD2 3.45Å; F173-L208 VanDerWaalsContact CE1-CD2 3.45Å; F173-L208 HydrophobicContact CZ-CD2 4.26Å; L195-L208 HydrophobicContact CD2-CB 4Å; L195-L208 HydrophobicContact CD2-CD2 4.17Å; L195-L208 HydrophobicContact CD2-CG 4.46Å; V200-L208 HydrophobicContact CG1-CD2 3.91Å; D203-L208 HydrophobicContact CB-CD2 3.73Å; D203-L208 HydrophobicContact CB-CG 4.15Å; S204-L208 PolarHBondContact O-N 2.9Å; Q206-L208 VanDerWaalsContact C-N 3.33Å; L208-Q210 VanDerWaalsContact C-N 3.35Å; L208-Q210 PolarHBondContact O-N 2.85Å; L208-A211 PolarHBondContact O-N 2.84Å; L208-A212 WeakPolarHBondContact O-CB 3.38Å; L208-A212 PolarHBondContact O-N 2.97Å; L208-I233 HydrophobicContact CB-CD1 3.6Å
209	L	94.6	Very high	88.9	Confident	8 Å²	8	41.7 Å²	41.7	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-47.5	172.6	173.7	66.7	0	0	0	111.2	E205 Q206 A211 A212 L213 L230 I233 F235 V247	E205-L209 WeakPolarHBondContact O-CB 3.23Å; E205-L209 PolarHBondContact O-N 3.18Å; Q206-L209 WeakPolarHBondContact O-CB 3.47Å; Q206-L209 PolarHBondContact O-N 3.38Å; L209-A211 VanDerWaalsContact C-N 3.34Å; L209-A211 PolarHBondContact O-N 2.76Å; L209-A212 PolarHBondContact O-N 2.7Å; L209-L213 HydrophobicContact CD1-CD1 3.89Å; L209-L213 HydrophobicContact CD1-CG 3.96Å; L209-L213 HydrophobicContact CD2-CD1 4.49Å; L209-L213 HydrophobicContact CG-CD1 3.91Å; L209-L213 HydrophobicContact CG-CG 4.32Å; L209-L213 WeakPolarHBondContact O-CB 3.24Å; L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.02Å; L209-L230 HydrophobicContact CD1-CD1 4.49Å; L209-L230 HydrophobicContact CD1-CD2 3.71Å; L209-I233 HydrophobicContact CB-CG2 4.33Å; L209-F235 HydrophobicContact CD1-CE1 3.91Å; L209-F235 HydrophobicContact CD1-CZ 3.98Å; L209-F235 HydrophobicContact CD2-CE1 4.15Å; L209-F235 HydrophobicContact CG-CE1 4.5Å; L209-V247 HydrophobicContact CD2-CB 4.2Å; L209-V247 HydrophobicContact CD2-CG1 3.75Å; L209-V247 HydrophobicContact CD2-CG2 3.87Å
210	Q	92.8	Very high	89	Confident	81 Å²	81	40.6 Å²	40.6	38%	0.379	22%	0.221	S	C	.	.	H	α-helix	trans	-60.4	-45.1	180	-178.2	179.9	-14.2	0	0	111.4	Q206 N207 L208 L213 Q214	Q206-Q210 PolarHBondContact O-N 3.1Å; N207-Q210 PolarHBondContact O-N 3.36Å; L208-Q210 VanDerWaalsContact C-N 3.35Å; L208-Q210 PolarHBondContact O-N 2.85Å; Q210-L213 PolarHBondContact O-N 3.43Å; Q210-Q214 HydrophobicContact CG-CG 4.39Å; Q210-Q214 WeakPolarHBondContact O-CB 3.29Å; Q210-Q214 VanDerWaalsContact O-CG 3.31Å; Q210-Q214 WeakPolarHBondContact O-CG 3.34Å; Q210-Q214 PolarHBondContact O-N 2.87Å
211	A	93.5	Very high	89.3	Confident	1 Å²	1	46 Å²	46	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-60.7	-44.9	176.8	0	0	0	0	0	111.8	F173 R177 N207 L208 L209 Q214 W215	F173-A211 HydrophobicContact CE1-CB 4.46Å; R177-A211 HydrophobicContact CB-CB 3.87Å; R177-A211 HydrophobicContact CG-CB 4.31Å; N207-A211 PolarHBondContact O-N 3.31Å; L208-A211 PolarHBondContact O-N 2.84Å; L209-A211 VanDerWaalsContact C-N 3.34Å; L209-A211 PolarHBondContact O-N 2.76Å; A211-Q214 PolarHBondContact O-N 2.91Å; A211-W215 WeakPolarHBondContact O-CB 3.44Å; A211-W215 PolarHBondContact O-N 2.8Å
212	A	95.1	Very high	90.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-46.3	177.1	0	0	0	0	0	112	L195 L208 L209 W215 L216 L229 L230	L195-A212 HydrophobicContact CD1-CB 4.03Å; L208-A212 WeakPolarHBondContact O-CB 3.38Å; L208-A212 PolarHBondContact O-N 2.97Å; L209-A212 PolarHBondContact O-N 2.7Å; A212-W215 PolarHBondContact O-N 2.86Å; A212-L216 WeakPolarHBondContact O-CB 3.49Å; A212-L216 WeakPolarHBondContact O-CG 3.28Å; A212-L216 PolarHBondContact O-N 3.3Å; A212-L229 HydrophobicContact CB-CD2 3.83Å; A212-L229 HydrophobicContact CB-CG 4.31Å; A212-L230 HydrophobicContact CB-CD2 3.83Å
213	L	94	Very high	91.3	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-42.3	178.4	-72.2	179.4	0	0	0	112.2	L209 Q210 W215 L216 G217 L230 A250 Q254 L255	L209-L213 HydrophobicContact CD1-CD1 3.89Å; L209-L213 HydrophobicContact CD1-CG 3.96Å; L209-L213 HydrophobicContact CD2-CD1 4.49Å; L209-L213 HydrophobicContact CG-CD1 3.91Å; L209-L213 HydrophobicContact CG-CG 4.32Å; L209-L213 WeakPolarHBondContact O-CB 3.24Å; L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.02Å; Q210-L213 PolarHBondContact O-N 3.43Å; L213-W215 PolarHBondContact O-N 2.67Å; L213-L216 PolarHBondContact O-N 2.85Å; L213-G217 PolarHBondContact O-N 2.81Å; L213-L230 HydrophobicContact CD2-CD1 4.31Å; L213-A250 HydrophobicContact CD1-CB 4.12Å; L213-Q254 PolarHBondContact O-OE1 2.86Å; L213-L255 HydrophobicContact CD2-CD1 3.97Å; L213-L255 HydrophobicContact CD2-CG 4.33Å
214	Q	93.6	Very high	92	Very high	62 Å²	62	45.2 Å²	45.2	29%	0.29	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-39.8	176	-74.9	-180	-19.6	0	0	112.4	L183 Q210 A211 G217 Q218	L183-Q214 HydrophobicContact CD1-CB 4.48Å; L183-Q214 HydrophobicContact CD2-CB 3.85Å; Q210-Q214 HydrophobicContact CG-CG 4.39Å; Q210-Q214 WeakPolarHBondContact O-CB 3.29Å; Q210-Q214 VanDerWaalsContact O-CG 3.31Å; Q210-Q214 WeakPolarHBondContact O-CG 3.34Å; Q210-Q214 PolarHBondContact O-N 2.87Å; A211-Q214 PolarHBondContact O-N 2.91Å; Q214-G217 PolarHBondContact O-N 2.77Å; Q214-Q218 WeakPolarHBondContact O-CG 3.44Å; Q214-Q218 PolarHBondContact O-N 3.02Å; Q214-Q218 PolarHBondContact O-NE2 2.76Å
215	W	95.4	Very high	92.3	Very high	5 Å²	5	46.1 Å²	46.1	2%	0.019	26%	0.257	C	S	.	.	H	α-helix	trans	-66.8	-39.4	175.8	179.2	92.8	0	0	0	112	L183 L186 L188 L191 A211 A212 L213 G217 Q218 R222 L229	L183-W215 HydrophobicContact CD2-CB 4.13Å; L186-W215 WeakPolarHBondContact O-CZ2 3.37Å; L186-W215 PolarHBondContact O-NE1 3.27Å; L188-W215 HydrophobicContact CB-CH2 3.91Å; L188-W215 HydrophobicContact CB-CZ2 4.35Å; L188-W215 HydrophobicContact CD1-CH2 3.68Å; L188-W215 HydrophobicContact CD1-CZ3 3.94Å; L188-W215 HydrophobicContact CG-CH2 4.39Å; L191-W215 HydrophobicContact CD2-CB 4Å; L191-W215 HydrophobicContact CD2-CD2 3.47Å; L191-W215 VanDerWaalsContact CD2-CD2 3.47Å; L191-W215 HydrophobicContact CD2-CE3 3.73Å; L191-W215 HydrophobicContact CD2-CG 3.58Å; L191-W215 HydrophobicContact CD2-CZ3 4.43Å; A211-W215 WeakPolarHBondContact O-CB 3.44Å; A211-W215 PolarHBondContact O-N 2.8Å; A212-W215 PolarHBondContact O-N 2.86Å; L213-W215 PolarHBondContact O-N 2.67Å; W215-G217 VanDerWaalsContact C-N 3.34Å; W215-Q218 PolarHBondContact O-N 2.79Å; W215-R222 HydrophobicContact CH2-CB 4.17Å; W215-R222 HydrophobicContact CH2-CG 3.82Å; W215-R222 HydrophobicContact CZ2-CG 4.37Å; W215-R222 HydrophobicContact CZ3-CB 3.89Å; W215-R222 HydrophobicContact CZ3-CG 4.01Å; W215-R222 WeakPolarHBondContact O-CD 3.4Å; W215-R222 PolarHBondContact O-NH1 3.44Å; W215-L229 HydrophobicContact CE3-CD2 3.91Å; W215-L229 HydrophobicContact CZ3-CD2 4.13Å
216	L	93.8	Very high	92.4	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-39.7	173.1	-72.3	166.9	0	0	0	111.3	A212 L213 Q218 N219 R222 A226 L229 L255	A212-L216 WeakPolarHBondContact O-CB 3.49Å; A212-L216 WeakPolarHBondContact O-CG 3.28Å; A212-L216 PolarHBondContact O-N 3.3Å; L213-L216 PolarHBondContact O-N 2.85Å; L216-Q218 PolarHBondContact O-N 3.06Å; L216-N219 PolarHBondContact O-N 2.91Å; L216-N219 VanDerWaalsContact O-O 3.14Å; L216-R222 HydrophobicContact CD2-CB 3.92Å; L216-R222 WeakPolarHBondContact CD2-O 2.97Å; L216-A226 HydrophobicContact CD1-CB 3.77Å; L216-A226 HydrophobicContact CD2-CB 4.16Å; L216-L229 HydrophobicContact CD1-CD2 4.14Å; L216-L229 HydrophobicContact CD2-CD2 4.28Å; L216-L229 HydrophobicContact CG-CD2 4.06Å; L216-L255 HydrophobicContact CD1-CD2 4.16Å
217	G	91.5	Very high	92.6	Very high	58 Å²	58	45.4 Å²	45.4	60%	0.598	26%	0.255	S	S	*	.	H	α-helix	trans	-67	-17.5	-179.8	0	0	0	0	0	115.1	L213 Q214 W215	L213-G217 PolarHBondContact O-N 2.81Å; Q214-G217 PolarHBondContact O-N 2.77Å; W215-G217 VanDerWaalsContact C-N 3.34Å
218	Q	93	Very high	92.7	Very high	95 Å²	95	48.3 Å²	48.3	44%	0.444	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-27.9	178.4	-64.4	-50.7	-53	0	0	113.7	L183 Q214 W215 L216	L183-Q218 HydrophobicContact CB-CG 3.88Å; Q214-Q218 WeakPolarHBondContact O-CG 3.44Å; Q214-Q218 PolarHBondContact O-N 3.02Å; Q214-Q218 PolarHBondContact O-NE2 2.76Å; W215-Q218 PolarHBondContact O-N 2.79Å; L216-Q218 PolarHBondContact O-N 3.06Å
219	N	89.8	Confident	92.8	Very high	57 Å²	57	48.3 Å²	48.3	31%	0.305	27%	0.267	S	S	.	.			trans	-144.2	118.4	-178.2	-177.5	-12.8	0	0	0	110.7	L216 D221 R222	L216-N219 PolarHBondContact O-N 2.91Å; L216-N219 VanDerWaalsContact O-O 3.14Å; N219-D221 PolarHBondContact O-N 3.27Å; N219-D221 VanDerWaalsContact O-N 3.15Å; N219-D221 WeakPolarHBondContact OD1-CB 3.1Å; N219-D221 PolarHBondContact OD1-N 3.11Å; N219-R222 HydrophobicContact CB-CG 4.01Å; N219-R222 WeakPolarHBondContact O-CB 3.49Å; N219-R222 PolarHBondContact O-N 3.22Å
220	P	87.6	Confident	92.8	Very high	97 Å²	97	47.9 Å²	47.9	63%	0.63	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-53.4	-31.7	176.8	-27	35.3	0	0	0	114.8	R222 T223	P220-R222 PolarHBondContact O-N 3.36Å; P220-R222 VanDerWaalsContact O-N 3.11Å; P220-T223 WeakPolarHBondContact O-CB 3.36Å; P220-T223 WeakPolarHBondContact O-CG2 3.39Å; P220-T223 PolarHBondContact O-N 3.04Å; P220-T223 VanDerWaalsContact O-N 3.08Å; P220-T223 PolarHBondContact O-OG1 2.73Å
221	D	90.9	Very high	92.9	Very high	124 Å²	124	45.6 Å²	45.6	66%	0.663	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-65.6	-15	179.6	-63.7	-25.6	0	0	0	112.9	N219 P224	N219-D221 PolarHBondContact O-N 3.27Å; N219-D221 VanDerWaalsContact O-N 3.15Å; N219-D221 WeakPolarHBondContact OD1-CB 3.1Å; N219-D221 PolarHBondContact OD1-N 3.11Å; D221-P224 VanDerWaalsContact O-CD 3.24Å; D221-P224 WeakPolarHBondContact O-CD 3.31Å
222	R	92.4	Very high	93	Very high	38 Å²	38	48.4 Å²	48.4	14%	0.143	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-82.6	-19.4	177.3	-60.1	172.8	177.4	176.3	-0.8	112.5	L183 Q184 W215 L216 N219 P220 H225	L183-R222 PolarHBondContact O-NH1 3.23Å; Q184-R222 PolarHBondContact O-NH2 2.87Å; W215-R222 HydrophobicContact CH2-CB 4.17Å; W215-R222 HydrophobicContact CH2-CG 3.82Å; W215-R222 HydrophobicContact CZ2-CG 4.37Å; W215-R222 HydrophobicContact CZ3-CB 3.89Å; W215-R222 HydrophobicContact CZ3-CG 4.01Å; W215-R222 WeakPolarHBondContact O-CD 3.4Å; W215-R222 PolarHBondContact O-NH1 3.44Å; L216-R222 HydrophobicContact CD2-CB 3.92Å; L216-R222 WeakPolarHBondContact CD2-O 2.97Å; N219-R222 HydrophobicContact CB-CG 4.01Å; N219-R222 WeakPolarHBondContact O-CB 3.49Å; N219-R222 PolarHBondContact O-N 3.22Å; P220-R222 PolarHBondContact O-N 3.36Å; P220-R222 VanDerWaalsContact O-N 3.11Å; R222-H225 WeakPolarHBondContact O-CB 3.43Å; R222-H225 PolarHBondContact O-N 3.36Å
223	T	90.1	Very high	92.9	Very high	38 Å²	38	48.4 Å²	48.4	23%	0.233	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-57.5	-34.8	-175.6	58.7	0	0	0	0	115	P220 H225 A226 L255	P220-T223 WeakPolarHBondContact O-CB 3.36Å; P220-T223 WeakPolarHBondContact O-CG2 3.39Å; P220-T223 PolarHBondContact O-N 3.04Å; P220-T223 VanDerWaalsContact O-N 3.08Å; P220-T223 PolarHBondContact O-OG1 2.73Å; T223-H225 PolarHBondContact O-N 2.86Å; T223-A226 WeakPolarHBondContact O-CB 3.44Å; T223-A226 PolarHBondContact O-N 2.96Å; T223-A226 VanDerWaalsContact O-N 3.11Å; T223-L255 HydrophobicContact CG2-CD2 4.5Å
224	P	91.2	Very high	92.9	Very high	98 Å²	98	49.3 Å²	49.3	64%	0.636	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-63	-25.1	175.2	-22.2	35.9	0	0	0	113.3	D221 A226	D221-P224 VanDerWaalsContact O-CD 3.24Å; D221-P224 WeakPolarHBondContact O-CD 3.31Å; P224-A226 VanDerWaalsContact C-N 3.35Å
225	H	92.5	Very high	93	Very high	77 Å²	77	46.3 Å²	46.3	36%	0.356	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-88.8	0.5	179.5	-58	-71.7	0	0	0	113.4	L188 R222 T223 N227 Q228 L229	L188-H225 HydrophobicContact CD1-CB 3.98Å; L188-H225 HydrophobicContact CD2-CB 3.77Å; L188-H225 VanDerWaalsContact CD2-CG 3.47Å; R222-H225 WeakPolarHBondContact O-CB 3.43Å; R222-H225 PolarHBondContact O-N 3.36Å; T223-H225 PolarHBondContact O-N 2.86Å; H225-N227 VanDerWaalsContact C-N 3.31Å; H225-N227 PolarHBondContact O-N 3.25Å; H225-Q228 PolarHBondContact O-N 2.95Å; H225-L229 PolarHBondContact O-N 2.85Å
226	A	93.8	Very high	92.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-40.4	-175.6	0	0	0	0	0	112.9	L216 T223 P224 L229 L230 L255	L216-A226 HydrophobicContact CD1-CB 3.77Å; L216-A226 HydrophobicContact CD2-CB 4.16Å; T223-A226 WeakPolarHBondContact O-CB 3.44Å; T223-A226 PolarHBondContact O-N 2.96Å; T223-A226 VanDerWaalsContact O-N 3.11Å; P224-A226 VanDerWaalsContact C-N 3.35Å; A226-L229 PolarHBondContact O-N 3.28Å; A226-L230 WeakPolarHBondContact O-CB 3.22Å; A226-L230 VanDerWaalsContact O-CG 3.31Å; A226-L230 WeakPolarHBondContact O-CG 3.32Å; A226-L230 PolarHBondContact O-N 3.06Å; A226-L255 HydrophobicContact CB-CD1 3.88Å; A226-L255 HydrophobicContact CB-CD2 3.81Å; A226-L255 HydrophobicContact CB-CG 4.49Å
227	N	94.3	Very high	92.8	Very high	62 Å²	62	46.6 Å²	46.6	33%	0.332	26%	0.264	S	S	.	.	H	α-helix	trans	-63.6	-47.6	179.4	-164.4	5.7	0	0	0	111.9	H225 L229 L230 A231 T259	H225-N227 VanDerWaalsContact C-N 3.31Å; H225-N227 PolarHBondContact O-N 3.25Å; N227-L229 VanDerWaalsContact C-N 3.25Å; N227-L229 PolarHBondContact O-N 2.89Å; N227-L230 PolarHBondContact O-N 3.23Å; N227-A231 VanDerWaalsContact O-CB 3.28Å; N227-A231 WeakPolarHBondContact O-CB 3.23Å; N227-A231 PolarHBondContact O-N 3.09Å; N227-T259 VanDerWaalsContact CB-O 3.24Å; N227-T259 WeakPolarHBondContact CB-O 3.37Å; N227-T259 PolarHBondContact ND2-O 3.24Å
228	Q	93.8	Very high	92.8	Very high	103 Å²	103	44.3 Å²	44.3	48%	0.481	24%	0.238	S	C	.	.	H	α-helix	trans	-57.6	-43.1	177.5	-179	-177.1	-2.1	0	0	110.7	H225 H232	H225-Q228 PolarHBondContact O-N 2.95Å; Q228-H232 PolarHBondContact O-CD2 2.84Å
229	L	94.4	Very high	92.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.2	-50.5	-179.5	-167.3	69.3	0	0	0	112.3	L188 L191 L195 A212 W215 L216 H225 A226 N227 A231 H232	L188-L229 HydrophobicContact CD1-CD1 4.37Å; L191-L229 HydrophobicContact CB-CD1 4.34Å; L191-L229 HydrophobicContact CD2-CD1 3.93Å; L191-L229 HydrophobicContact CD2-CD2 3.8Å; L191-L229 HydrophobicContact CD2-CG 4.45Å; L191-L229 HydrophobicContact CG-CD1 3.9Å; L195-L229 HydrophobicContact CD1-CD1 3.59Å; L195-L229 HydrophobicContact CD1-CD2 4.41Å; L195-L229 HydrophobicContact CD1-CG 3.7Å; A212-L229 HydrophobicContact CB-CD2 3.83Å; A212-L229 HydrophobicContact CB-CG 4.31Å; W215-L229 HydrophobicContact CE3-CD2 3.91Å; W215-L229 HydrophobicContact CZ3-CD2 4.13Å; L216-L229 HydrophobicContact CD1-CD2 4.14Å; L216-L229 HydrophobicContact CD2-CD2 4.28Å; L216-L229 HydrophobicContact CG-CD2 4.06Å; H225-L229 PolarHBondContact O-N 2.85Å; A226-L229 PolarHBondContact O-N 3.28Å; N227-L229 VanDerWaalsContact C-N 3.25Å; N227-L229 PolarHBondContact O-N 2.89Å; L229-A231 PolarHBondContact O-N 3.08Å; L229-H232 PolarHBondContact O-N 2.95Å; L229-H232 VanDerWaalsContact O-N 3.16Å
230	L	95.1	Very high	92.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-71.9	-14.3	-178.4	-64	-172.6	0	0	0	112.9	L209 A212 L213 A226 N227 H232 I233 F235 I251 L255 C261 L264 R285	L209-L230 HydrophobicContact CD1-CD1 4.49Å; L209-L230 HydrophobicContact CD1-CD2 3.71Å; A212-L230 HydrophobicContact CB-CD2 3.83Å; L213-L230 HydrophobicContact CD2-CD1 4.31Å; A226-L230 WeakPolarHBondContact O-CB 3.22Å; A226-L230 VanDerWaalsContact O-CG 3.31Å; A226-L230 WeakPolarHBondContact O-CG 3.32Å; A226-L230 PolarHBondContact O-N 3.06Å; N227-L230 PolarHBondContact O-N 3.23Å; L230-H232 PolarHBondContact O-N 3.32Å; L230-I233 HydrophobicContact CD2-CG1 4.06Å; L230-I233 PolarHBondContact O-N 2.83Å; L230-I233 VanDerWaalsContact O-N 3.13Å; L230-F235 HydrophobicContact CB-CE2 4.41Å; L230-F235 HydrophobicContact CB-CZ 4.39Å; L230-F235 WeakPolarHBondContact O-CE2 3.28Å; L230-I251 HydrophobicContact CD1-CD1 4.36Å; L230-I251 HydrophobicContact CD1-CG1 4.38Å; L230-L255 HydrophobicContact CD1-CD1 3.82Å; L230-C261 HydrophobicContact CD1-CB 4.03Å; L230-L264 HydrophobicContact CB-CD1 4.14Å; L230-R285 PolarHBondContact O-NH2 3.39Å
231	A	94.8	Very high	93.1	Very high	32 Å²	32	40 Å²	40	26%	0.264	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.8	169.8	0	0	0	0	0	112.7	N227 L229 I233 L264 R285	N227-A231 VanDerWaalsContact O-CB 3.28Å; N227-A231 WeakPolarHBondContact O-CB 3.23Å; N227-A231 PolarHBondContact O-N 3.09Å; L229-A231 PolarHBondContact O-N 3.08Å; A231-I233 VanDerWaalsContact C-N 3.34Å; A231-L264 HydrophobicContact CB-CD1 4.47Å; A231-R285 PolarHBondContact O-NE 3.02Å; A231-R285 PolarHBondContact O-NH1 3Å; A231-R285 PolarHBondContact O-NH2 2.96Å
232	H	94.9	Very high	93.2	Very high	60 Å²	60	36.6 Å²	36.6	28%	0.278	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.3	177.6	-60.7	-63.4	0	0	0	114	T192 L195 Q228 L229 L230 R289	T192-H232 VanDerWaalsContact CG2-NE2 3.29Å; T192-H232 WeakPolarHBondContact CG2-NE2 3.43Å; L195-H232 HydrophobicContact CB-CB 3.82Å; Q228-H232 PolarHBondContact O-CD2 2.84Å; L229-H232 PolarHBondContact O-N 2.95Å; L229-H232 VanDerWaalsContact O-N 3.16Å; L230-H232 PolarHBondContact O-N 3.32Å; H232-R289 PolarHBondContact O-NH2 2.75Å
233	I	94.6	Very high	93.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-83.5	129.3	171.6	-55.6	-59.8	0	0	0	109.5	L195 E205 L208 L209 L230 A231 F235 M238 R285	L195-I233 HydrophobicContact CD1-CD1 4.31Å; L195-I233 HydrophobicContact CD2-CD1 4.09Å; E205-I233 HydrophobicContact CB-CG2 4.48Å; L208-I233 HydrophobicContact CB-CD1 3.6Å; L209-I233 HydrophobicContact CB-CG2 4.33Å; L230-I233 HydrophobicContact CD2-CG1 4.06Å; L230-I233 PolarHBondContact O-N 2.83Å; L230-I233 VanDerWaalsContact O-N 3.13Å; A231-I233 VanDerWaalsContact C-N 3.34Å; I233-F235 HydrophobicContact CB-CE1 4.18Å; I233-F235 HydrophobicContact CB-CE2 4.08Å; I233-F235 HydrophobicContact CB-CZ 3.9Å; I233-F235 HydrophobicContact CG2-CD1 3.82Å; I233-F235 HydrophobicContact CG2-CE1 3.58Å; I233-F235 HydrophobicContact CG2-CE2 4.31Å; I233-F235 HydrophobicContact CG2-CG 4.28Å; I233-F235 HydrophobicContact CG2-CZ 3.85Å; I233-F235 PolarHBondContact O-N 3.13Å; I233-M238 HydrophobicContact CG2-CE 3.83Å; I233-R285 PolarHBondContact O-NH2 3.4Å
234	R	93.5	Very high	93.5	Very high	24 Å²	24	37 Å²	37	9%	0.091	22%	0.223	C	C	.	.			trans	-87.2	61.4	-175.6	-53.2	-175.9	-169	-165.5	0.8	110.6	E205 P236 L237 R285 A287 L288	E205-R234 HydrophobicContact CG-CB 3.95Å; E205-R234 IonicContact OE1-NE 2.81Å; E205-R234 PolarHBondContact OE2-N 2.83Å; R234-P236 VanDerWaalsContact C-N 3.27Å; R234-L237 HydrophobicContact CB-CD1 3.89Å; R234-L237 HydrophobicContact CB-CG 4.08Å; R234-L237 WeakPolarHBondContact O-CB 3.19Å; R234-L237 PolarHBondContact O-N 2.84Å; R234-R285 VanDerWaalsContact CB-O 3.31Å; R234-R285 WeakPolarHBondContact CB-O 3.41Å; R234-A287 VanDerWaalsContact CD-O 3.25Å; R234-A287 WeakPolarHBondContact CD-O 3.37Å; R234-A287 PolarHBondContact NH1-O 3.45Å; R234-L288 PolarHBondContact NH1-O 3.41Å
235	F	95	Very high	93.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-49.1	-38.6	177.3	-61.9	-61.6	0	0	0	114.3	L209 L230 I233 L237 M238 L243 V247 I251 L264 A268 R285	L209-F235 HydrophobicContact CD1-CE1 3.91Å; L209-F235 HydrophobicContact CD1-CZ 3.98Å; L209-F235 HydrophobicContact CD2-CE1 4.15Å; L209-F235 HydrophobicContact CG-CE1 4.5Å; L230-F235 HydrophobicContact CB-CE2 4.41Å; L230-F235 HydrophobicContact CB-CZ 4.39Å; L230-F235 WeakPolarHBondContact O-CE2 3.28Å; I233-F235 HydrophobicContact CB-CE1 4.18Å; I233-F235 HydrophobicContact CB-CE2 4.08Å; I233-F235 HydrophobicContact CB-CZ 3.9Å; I233-F235 HydrophobicContact CG2-CD1 3.82Å; I233-F235 HydrophobicContact CG2-CE1 3.58Å; I233-F235 HydrophobicContact CG2-CE2 4.31Å; I233-F235 HydrophobicContact CG2-CG 4.28Å; I233-F235 HydrophobicContact CG2-CZ 3.85Å; I233-F235 PolarHBondContact O-N 3.13Å; F235-L237 PolarHBondContact O-N 3.14Å; F235-M238 HydrophobicContact CD1-CE 3.95Å; F235-M238 HydrophobicContact CD1-SD 4.07Å; F235-M238 HydrophobicContact CE1-CE 4.35Å; F235-M238 WeakPolarHBondContact O-CB 3.33Å; F235-M238 PolarHBondContact O-N 3.07Å; F235-L243 HydrophobicContact CB-CD2 4.04Å; F235-L243 HydrophobicContact CD1-CD2 4.25Å; F235-V247 HydrophobicContact CD1-CG1 3.89Å; F235-V247 HydrophobicContact CE1-CG1 3.62Å; F235-I251 HydrophobicContact CE1-CD1 4.47Å; F235-I251 HydrophobicContact CZ-CD1 4.16Å; F235-L264 HydrophobicContact CD2-CB 3.88Å; F235-L264 HydrophobicContact CE2-CB 3.89Å; F235-L264 HydrophobicContact CE2-CD1 4.21Å; F235-A268 HydrophobicContact CB-CB 3.54Å; F235-R285 VanDerWaalsContact CD2-NH2 3.33Å
236	P	94	Very high	93.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58.4	-16.1	177	-26.8	36.2	0	0	0	114.9	R234 A268 Y271 Q272 R285 T286	R234-P236 VanDerWaalsContact C-N 3.27Å; P236-A268 HydrophobicContact CB-CB 4.4Å; P236-A268 HydrophobicContact CG-CB 3.99Å; P236-Y271 HydrophobicContact CB-CD1 3.68Å; P236-Y271 HydrophobicContact CB-CE1 4.11Å; P236-Y271 HydrophobicContact CB-CG 4.04Å; P236-Q272 PolarHBondContact O-NE2 2.84Å; P236-R285 HydrophobicContact CG-CB 4.36Å; P236-T286 HydrophobicContact CB-CG2 3.8Å; P236-T286 HydrophobicContact CG-CG2 4.08Å
237	L	90.6	Very high	93.7	Very high	16 Å²	16	37.5 Å²	37.5	8%	0.084	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-90.5	-6.1	177	-59.4	-173	0	0	0	114.2	R234 F235 T286 A287 L288	R234-L237 HydrophobicContact CB-CD1 3.89Å; R234-L237 HydrophobicContact CB-CG 4.08Å; R234-L237 WeakPolarHBondContact O-CB 3.19Å; R234-L237 PolarHBondContact O-N 2.84Å; F235-L237 PolarHBondContact O-N 3.14Å; L237-T286 WeakPolarHBondContact CD2-O 3.23Å; L237-A287 WeakPolarHBondContact CD1-O 3.43Å; L237-L288 HydrophobicContact CD1-CD2 4.41Å
238	M	91.8	Very high	93.6	Very high	10 Å²	10	35.7 Å²	35.7	5%	0.049	22%	0.216	C	C	.	.	S	Bend	trans	-86.2	146.1	175.4	-58.8	-177.4	-173.5	0	0	110.4	E205 I233 F235 L243 V247	E205-M238 HydrophobicContact CB-CE 3.39Å; E205-M238 HydrophobicContact CB-CG 4.38Å; E205-M238 VanDerWaalsContact O-CE 3.29Å; E205-M238 WeakPolarHBondContact O-CE 3.33Å; I233-M238 HydrophobicContact CG2-CE 3.83Å; F235-M238 HydrophobicContact CD1-CE 3.95Å; F235-M238 HydrophobicContact CD1-SD 4.07Å; F235-M238 HydrophobicContact CE1-CE 4.35Å; F235-M238 WeakPolarHBondContact O-CB 3.33Å; F235-M238 PolarHBondContact O-N 3.07Å; M238-L243 HydrophobicContact CB-CD2 3.85Å; M238-L243 HydrophobicContact CB-CG 4.03Å; M238-L243 HydrophobicContact CG-CD2 4.42Å; M238-L243 HydrophobicContact SD-CD2 4Å; M238-V247 HydrophobicContact SD-CG2 3.67Å
239	P	91.1	Very high	93.6	Very high	59 Å²	59	33.9 Å²	33.9	38%	0.383	21%	0.213	S	C	.	.			trans	-57	141.2	172.3	-24.1	34.5	0	0	0	112	G241 D242 L243	P239-G241 PolarHBondContact O-N 2.97Å; P239-D242 PolarHBondContact O-N 2.74Å; P239-L243 PolarHBondContact O-N 3.39Å; P239-L243 VanDerWaalsContact O-N 3.08Å
240	A	92.8	Very high	93.5	Very high	41 Å²	41	35.2 Å²	35.2	34%	0.339	22%	0.224	S	C	.	.	H	α-helix	trans	-56.4	-35.6	-179.6	0	0	0	0	0	113.2	D242 L243 V244 Q272	A240-D242 PolarHBondContact O-N 2.72Å; A240-L243 PolarHBondContact O-N 2.85Å; A240-V244 PolarHBondContact O-N 2.87Å; A240-V244 VanDerWaalsContact O-N 3.14Å; A240-Q272 HydrophobicContact CB-CB 4.07Å; A240-Q272 HydrophobicContact CB-CG 4.46Å
241	G	92.8	Very high	93.4	Very high	57 Å²	57	35.2 Å²	35.2	59%	0.588	22%	0.224	S	C	*	.	H	α-helix	trans	-61.3	-41.1	175.4	0	0	0	0	0	113.1	P239 G245	P239-G241 PolarHBondContact O-N 2.97Å; G241-G245 WeakPolarHBondContact O-CA 3.45Å; G241-G245 PolarHBondContact O-N 3.2Å
242	D	92.9	Very high	93.2	Very high	54 Å²	54	40.5 Å²	40.5	29%	0.289	24%	0.238	S	C	.	.	H	α-helix	trans	-71	-36.9	176.9	-74.6	-43.2	0	0	0	111.9	P239 A240 V244 R246 V247	P239-D242 PolarHBondContact O-N 2.74Å; A240-D242 PolarHBondContact O-N 2.72Å; D242-V244 PolarHBondContact O-N 3Å; D242-R246 WeakPolarHBondContact O-CA 3.32Å; D242-R246 WeakPolarHBondContact O-CB 3.44Å; D242-R246 PolarHBondContact O-N 2.98Å; D242-R246 WeakPolarHBondContact OD1-CD 3.27Å; D242-R246 IonicContact OD1-NH1 3.61Å; D242-V247 PolarHBondContact O-N 3.48Å
243	L	94.8	Very high	93	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.259	C	S	.	.	I	π-helix	trans	-58.8	-48.3	176.6	-70.4	175.2	0	0	0	111.4	F235 M238 P239 A240 V247 L248 V265 A268 L269 Q272	F235-L243 HydrophobicContact CB-CD2 4.04Å; F235-L243 HydrophobicContact CD1-CD2 4.25Å; M238-L243 HydrophobicContact CB-CD2 3.85Å; M238-L243 HydrophobicContact CB-CG 4.03Å; M238-L243 HydrophobicContact CG-CD2 4.42Å; M238-L243 HydrophobicContact SD-CD2 4Å; P239-L243 PolarHBondContact O-N 3.39Å; P239-L243 VanDerWaalsContact O-N 3.08Å; A240-L243 PolarHBondContact O-N 2.85Å; L243-V247 HydrophobicContact CD2-CB 4.39Å; L243-V247 HydrophobicContact CD2-CG1 4.42Å; L243-V247 HydrophobicContact CD2-CG2 4.28Å; L243-L248 WeakPolarHBondContact O-CB 3.34Å; L243-L248 PolarHBondContact O-N 2.83Å; L243-V265 HydrophobicContact CB-CG1 4.31Å; L243-V265 HydrophobicContact CD2-CG1 4.36Å; L243-A268 HydrophobicContact CD1-CB 3.79Å; L243-A268 HydrophobicContact CD2-CB 4.48Å; L243-L269 HydrophobicContact CB-CD2 3.85Å; L243-L269 HydrophobicContact CB-CG 4.45Å; L243-L269 HydrophobicContact CD1-CD2 4.05Å; L243-L269 HydrophobicContact CD1-CG 4.4Å; L243-Q272 HydrophobicContact CD1-CG 4.37Å
244	V	94.9	Very high	92.7	Very high	84 Å²	84	46.5 Å²	46.5	51%	0.509	28%	0.281	S	S	.	.	I	π-helix	trans	-77	-44.1	-179.6	-179.4	0	0	0	0	111.9	A240 D242 P249 L269	A240-V244 PolarHBondContact O-N 2.87Å; A240-V244 VanDerWaalsContact O-N 3.14Å; D242-V244 PolarHBondContact O-N 3Å; V244-P249 VanDerWaalsContact O-CD 3.29Å; V244-P249 WeakPolarHBondContact O-CD 3.46Å; V244-L269 HydrophobicContact CG2-CD1 4.2Å; V244-L269 HydrophobicContact CG2-CD2 3.68Å
245	G	93.6	Very high	92.5	Very high	54 Å²	54	45.9 Å²	45.9	56%	0.557	28%	0.279	S	S	*	.	I	π-helix	trans	-81.1	-25.1	-171.1	0	0	0	0	0	114.9	G241	G241-G245 WeakPolarHBondContact O-CA 3.45Å; G241-G245 PolarHBondContact O-N 3.2Å
246	R	93.3	Very high	92	Very high	129 Å²	129	49.3 Å²	49.3	49%	0.487	30%	0.301	S	S	.	.	I	π-helix	trans	-129.7	-50.7	-171.1	-57.3	174.3	73.8	-166.1	6.6	113	D242 A250	D242-R246 WeakPolarHBondContact O-CA 3.32Å; D242-R246 WeakPolarHBondContact O-CB 3.44Å; D242-R246 PolarHBondContact O-N 2.98Å; D242-R246 WeakPolarHBondContact OD1-CD 3.27Å; D242-R246 IonicContact OD1-NH1 3.61Å; R246-A250 VanDerWaalsContact O-CB 3.27Å; R246-A250 WeakPolarHBondContact O-CB 3.26Å; R246-A250 PolarHBondContact O-N 3.42Å; R246-A250 VanDerWaalsContact O-N 3.12Å
247	V	94.4	Very high	91.2	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.018	34%	0.335	C	S	.	.	I	π-helix	trans	-69.8	-52.3	-173.2	174.6	0	0	0	0	111.7	L209 F235 M238 D242 L243 A250 I251 V265	L209-V247 HydrophobicContact CD2-CB 4.2Å; L209-V247 HydrophobicContact CD2-CG1 3.75Å; L209-V247 HydrophobicContact CD2-CG2 3.87Å; F235-V247 HydrophobicContact CD1-CG1 3.89Å; F235-V247 HydrophobicContact CE1-CG1 3.62Å; M238-V247 HydrophobicContact SD-CG2 3.67Å; D242-V247 PolarHBondContact O-N 3.48Å; L243-V247 HydrophobicContact CD2-CB 4.39Å; L243-V247 HydrophobicContact CD2-CG1 4.42Å; L243-V247 HydrophobicContact CD2-CG2 4.28Å; V247-A250 PolarHBondContact O-N 2.87Å; V247-I251 HydrophobicContact CG1-CD1 3.88Å; V247-I251 WeakPolarHBondContact O-CG1 2.74Å; V247-I251 PolarHBondContact O-N 3.25Å; V247-V265 HydrophobicContact CG1-CG2 3.92Å
248	L	93.4	Very high	90.4	Very high	23 Å²	23	58.8 Å²	58.8	12%	0.12	37%	0.372	C	S	.	.	H	α-helix	trans	-62.5	-44.2	-178.2	-172.9	68.2	0	0	0	112.5	L243 A250 I251 R252 Q262 V265	L243-L248 WeakPolarHBondContact O-CB 3.34Å; L243-L248 PolarHBondContact O-N 2.83Å; L248-A250 PolarHBondContact O-N 3.35Å; L248-I251 PolarHBondContact O-N 3.29Å; L248-R252 WeakPolarHBondContact O-CG 3.4Å; L248-R252 PolarHBondContact O-N 2.86Å; L248-Q262 HydrophobicContact CD1-CB 4.43Å; L248-Q262 HydrophobicContact CD1-CG 4.27Å; L248-V265 HydrophobicContact CB-CG1 4.31Å; L248-V265 HydrophobicContact CD1-CB 4.33Å; L248-V265 HydrophobicContact CD1-CG1 4.3Å
249	P	93.6	Very high	89.9	Confident	65 Å²	65	60 Å²	60	42%	0.422	38%	0.379	S	S	.	.	H	α-helix	trans	-60.2	-41.7	172.1	-25.8	35.7	0	0	0	113.5	V244 I251 R252 A253	V244-P249 VanDerWaalsContact O-CD 3.29Å; V244-P249 WeakPolarHBondContact O-CD 3.46Å; P249-I251 PolarHBondContact O-N 3.33Å; P249-R252 PolarHBondContact O-N 3.11Å; P249-A253 WeakPolarHBondContact O-CB 3.3Å; P249-A253 PolarHBondContact O-N 3.06Å
250	A	91.9	Very high	89.8	Confident	28 Å²	28	58 Å²	58	23%	0.231	37%	0.369	C	S	.	.	H	α-helix	trans	-63.6	-41.7	179.4	0	0	0	0	0	112.4	L213 R246 V247 L248 A253 Q254	L213-A250 HydrophobicContact CD1-CB 4.12Å; R246-A250 VanDerWaalsContact O-CB 3.27Å; R246-A250 WeakPolarHBondContact O-CB 3.26Å; R246-A250 PolarHBondContact O-N 3.42Å; R246-A250 VanDerWaalsContact O-N 3.12Å; V247-A250 PolarHBondContact O-N 2.87Å; L248-A250 PolarHBondContact O-N 3.35Å; A250-A253 PolarHBondContact O-N 3.21Å; A250-Q254 PolarHBondContact O-N 2.7Å
251	I	91.9	Very high	89.7	Confident	1 Å²	1	56 Å²	56	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-63.7	-46.1	175.7	-72.6	171.7	0	0	0	110.6	L230 F235 V247 L248 P249 A253 Q254 L255 C261 Q262 V265	L230-I251 HydrophobicContact CD1-CD1 4.36Å; L230-I251 HydrophobicContact CD1-CG1 4.38Å; F235-I251 HydrophobicContact CE1-CD1 4.47Å; F235-I251 HydrophobicContact CZ-CD1 4.16Å; V247-I251 HydrophobicContact CG1-CD1 3.88Å; V247-I251 WeakPolarHBondContact O-CG1 2.74Å; V247-I251 PolarHBondContact O-N 3.25Å; L248-I251 PolarHBondContact O-N 3.29Å; P249-I251 PolarHBondContact O-N 3.33Å; I251-A253 VanDerWaalsContact C-N 3.32Å; I251-A253 PolarHBondContact O-N 3Å; I251-Q254 PolarHBondContact O-N 3.08Å; I251-L255 HydrophobicContact CG2-CD1 4.3Å; I251-L255 WeakPolarHBondContact O-CB 3.49Å; I251-L255 PolarHBondContact O-N 2.88Å; I251-C261 HydrophobicContact CG2-CB 3.92Å; I251-Q262 HydrophobicContact CG2-CG 4.31Å; I251-V265 HydrophobicContact CD1-CG2 3.62Å
252	R	91.3	Very high	89.6	Confident	143 Å²	143	55.3 Å²	55.3	54%	0.54	34%	0.335	S	S	.	.	H	α-helix	trans	-63.8	-34.5	178.9	-75.7	175.1	175.5	172.2	0.1	113.5	L248 P249	L248-R252 WeakPolarHBondContact O-CG 3.4Å; L248-R252 PolarHBondContact O-N 2.86Å; P249-R252 PolarHBondContact O-N 3.11Å
253	A	90.5	Very high	89.7	Confident	87 Å²	87	59 Å²	59	72%	0.719	35%	0.35	S	S	*	.	H	α-helix	trans	-74.5	-30.5	-178.9	0	0	0	0	0	113	P249 A250 I251	P249-A253 WeakPolarHBondContact O-CB 3.3Å; P249-A253 PolarHBondContact O-N 3.06Å; A250-A253 PolarHBondContact O-N 3.21Å; I251-A253 VanDerWaalsContact C-N 3.32Å; I251-A253 PolarHBondContact O-N 3Å
254	Q	87.7	Confident	89.7	Confident	99 Å²	99	59.8 Å²	59.8	46%	0.463	36%	0.355	S	S	.	.	H	α-helix	trans	-108.2	-18.6	-170.9	-64.6	-174.5	44.5	0	0	114.3	L213 A250 I251	L213-Q254 PolarHBondContact O-OE1 2.86Å; A250-Q254 PolarHBondContact O-N 2.7Å; I251-Q254 PolarHBondContact O-N 3.08Å
255	L	89.6	Confident	89.7	Confident	10 Å²	10	55.9 Å²	55.9	5%	0.052	33%	0.331	C	S	.	.	S	Bend	trans	-122.9	140.1	-175.5	-62	174.2	0	0	0	111.3	L213 L216 T223 A226 L230 I251 C261	L213-L255 HydrophobicContact CD2-CD1 3.97Å; L213-L255 HydrophobicContact CD2-CG 4.33Å; L216-L255 HydrophobicContact CD1-CD2 4.16Å; T223-L255 HydrophobicContact CG2-CD2 4.5Å; A226-L255 HydrophobicContact CB-CD1 3.88Å; A226-L255 HydrophobicContact CB-CD2 3.81Å; A226-L255 HydrophobicContact CB-CG 4.49Å; L230-L255 HydrophobicContact CD1-CD1 3.82Å; I251-L255 HydrophobicContact CG2-CD1 4.3Å; I251-L255 WeakPolarHBondContact O-CB 3.49Å; I251-L255 PolarHBondContact O-N 2.88Å; L255-C261 HydrophobicContact CD1-CB 4.37Å
256	P	84.6	Confident	89.7	Confident	73 Å²	73	57 Å²	57	47%	0.474	32%	0.322	S	S	.	.			trans	-59.4	150.5	174.6	-22.2	32.1	0	0	0	113	T259	P256-T259 WeakPolarHBondContact O-CG2 3.37Å; P256-T259 PolarHBondContact O-OG1 3.19Å; P256-T259 VanDerWaalsContact O-OG1 3.08Å
257	D	76.8	Confident	89.8	Confident	132 Å²	132	54.3 Å²	54.3	71%	0.706	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	138.5	169.6	-71.4	-38.2	0	0	0	110.4	Q262	D257-Q262 PolarHBondContact OD1-NE2 3.05Å; D257-Q262 VanDerWaalsContact OD1-NE2 3.13Å
258	G	75.6	Confident	89.9	Confident	83 Å²	83	54.1 Å²	54.1	86%	0.856	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.8	-3.5	-178.2	0	0	0	0	0	115.7	G260	G258-G260 PolarHBondContact O-N 3.02Å
259	T	80.4	Confident	90	Very high	34 Å²	34	55.3 Å²	55.3	21%	0.209	32%	0.319	C	S	.	.	S	Bend	trans	-68.6	-10.5	175.6	49.1	0	0	0	0	114.4	N227 P256 C261	N227-T259 VanDerWaalsContact CB-O 3.24Å; N227-T259 WeakPolarHBondContact CB-O 3.37Å; N227-T259 PolarHBondContact ND2-O 3.24Å; P256-T259 WeakPolarHBondContact O-CG2 3.37Å; P256-T259 PolarHBondContact O-OG1 3.19Å; P256-T259 VanDerWaalsContact O-OG1 3.08Å; T259-C261 PolarHBondContact O-N 2.95Å
260	G	88.1	Confident	90.1	Very high	17 Å²	17	59.3 Å²	59.3	18%	0.175	33%	0.326	C	S	.	.	S	Bend	trans	76.7	-10.7	-177.3	0	0	0	0	0	114.8	G258 Q262 Q263	G258-G260 PolarHBondContact O-N 3.02Å; G260-Q262 PolarHBondContact O-N 3.19Å; G260-Q263 WeakPolarHBondContact O-CB 3.29Å; G260-Q263 PolarHBondContact O-N 3.32Å
261	C	91.2	Very high	90.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.2	-31.7	179.3	-60.4	0	0	0	0	113.3	L230 I251 L255 T259 Q263 L264	L230-C261 HydrophobicContact CD1-CB 4.03Å; I251-C261 HydrophobicContact CG2-CB 3.92Å; L255-C261 HydrophobicContact CD1-CB 4.37Å; T259-C261 PolarHBondContact O-N 2.95Å; C261-Q263 VanDerWaalsContact C-N 3.3Å; C261-Q263 PolarHBondContact O-N 3.32Å; C261-L264 WeakPolarHBondContact O-CB 3.14Å; C261-L264 PolarHBondContact O-N 3.16Å
262	Q	91.8	Very high	90.4	Very high	43 Å²	43	59.9 Å²	59.9	20%	0.201	32%	0.324	C	S	.	.	H	α-helix	trans	-64.8	-34.2	176.1	-62.6	-177.8	14.9	0	0	111.9	L248 I251 D257 G260 L264 V265 E266	L248-Q262 HydrophobicContact CD1-CB 4.43Å; L248-Q262 HydrophobicContact CD1-CG 4.27Å; I251-Q262 HydrophobicContact CG2-CG 4.31Å; D257-Q262 PolarHBondContact OD1-NE2 3.05Å; D257-Q262 VanDerWaalsContact OD1-NE2 3.13Å; G260-Q262 PolarHBondContact O-N 3.19Å; Q262-L264 PolarHBondContact O-N 3.28Å; Q262-V265 PolarHBondContact O-N 3.29Å; Q262-V265 VanDerWaalsContact O-N 3.12Å; Q262-E266 WeakPolarHBondContact O-CG 3.44Å; Q262-E266 PolarHBondContact O-N 3.27Å
263	Q	93.5	Very high	90.5	Very high	130 Å²	130	56.8 Å²	56.8	61%	0.607	33%	0.328	S	S	*	.	H	α-helix	trans	-64.7	-31.5	178.4	-62.1	177.2	-11.5	0	0	111.8	G260 C261 V265 E266 E267	G260-Q263 WeakPolarHBondContact O-CB 3.29Å; G260-Q263 PolarHBondContact O-N 3.32Å; C261-Q263 VanDerWaalsContact C-N 3.3Å; C261-Q263 PolarHBondContact O-N 3.32Å; Q263-V265 VanDerWaalsContact C-N 3.32Å; Q263-E266 PolarHBondContact O-N 3.13Å; Q263-E267 WeakPolarHBondContact O-CB 3.28Å; Q263-E267 PolarHBondContact O-N 2.95Å
264	L	95.1	Very high	90.7	Very high	18 Å²	18	58.5 Å²	58.5	9%	0.094	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-37.3	175.3	-53.2	-177.6	0	0	0	111.8	L230 A231 F235 C261 Q262 A268	L230-L264 HydrophobicContact CB-CD1 4.14Å; A231-L264 HydrophobicContact CB-CD1 4.47Å; F235-L264 HydrophobicContact CD2-CB 3.88Å; F235-L264 HydrophobicContact CE2-CB 3.89Å; F235-L264 HydrophobicContact CE2-CD1 4.21Å; C261-L264 WeakPolarHBondContact O-CB 3.14Å; C261-L264 PolarHBondContact O-N 3.16Å; Q262-L264 PolarHBondContact O-N 3.28Å; L264-A268 PolarHBondContact O-N 3.37Å
265	V	95.2	Very high	91	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-73.1	-40.3	175.7	-177.2	0	0	0	0	110.4	L243 V247 L248 I251 Q262 Q263 E267 A268 L269	L243-V265 HydrophobicContact CB-CG1 4.31Å; L243-V265 HydrophobicContact CD2-CG1 4.36Å; V247-V265 HydrophobicContact CG1-CG2 3.92Å; L248-V265 HydrophobicContact CB-CG1 4.31Å; L248-V265 HydrophobicContact CD1-CB 4.33Å; L248-V265 HydrophobicContact CD1-CG1 4.3Å; I251-V265 HydrophobicContact CD1-CG2 3.62Å; Q262-V265 PolarHBondContact O-N 3.29Å; Q262-V265 VanDerWaalsContact O-N 3.12Å; Q263-V265 VanDerWaalsContact C-N 3.32Å; V265-E267 VanDerWaalsContact C-N 3.35Å; V265-E267 PolarHBondContact O-N 2.85Å; V265-A268 WeakPolarHBondContact O-CB 3.38Å; V265-A268 PolarHBondContact O-N 2.7Å; V265-L269 HydrophobicContact CG1-CD1 4.3Å; V265-L269 HydrophobicContact CG1-CG 4.49Å; V265-L269 WeakPolarHBondContact O-CG 3.23Å; V265-L269 PolarHBondContact O-N 3.43Å
266	E	94	Very high	91.3	Very high	79 Å²	79	57.7 Å²	57.7	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-41.6	174.4	-70.5	176.5	-167.1	0	0	112.6	Q262 Q263 A268 L269 R270	Q262-E266 WeakPolarHBondContact O-CG 3.44Å; Q262-E266 PolarHBondContact O-N 3.27Å; Q263-E266 PolarHBondContact O-N 3.13Å; E266-A268 VanDerWaalsContact C-N 3.34Å; E266-L269 PolarHBondContact O-N 2.89Å; E266-R270 WeakPolarHBondContact O-CG 3.21Å; E266-R270 PolarHBondContact O-N 3.3Å; E266-R270 IonicContact OE2-NH2 3.67Å; E266-R270 PolarHBondContact OE2-NH2 2.78Å
267	E	95.3	Very high	91.8	Very high	71 Å²	71	54.3 Å²	54.3	33%	0.332	30%	0.299	S	S	.	.	H	α-helix	trans	-55.7	-49.3	172	-176.1	-159	151.9	0	0	110.8	Q263 V265 L269 R270 Y271	Q263-E267 WeakPolarHBondContact O-CB 3.28Å; Q263-E267 PolarHBondContact O-N 2.95Å; V265-E267 VanDerWaalsContact C-N 3.35Å; V265-E267 PolarHBondContact O-N 2.85Å; E267-L269 VanDerWaalsContact C-N 3.32Å; E267-L269 PolarHBondContact O-N 3.43Å; E267-R270 WeakPolarHBondContact O-CB 3.31Å; E267-R270 PolarHBondContact O-N 2.87Å; E267-Y271 PolarHBondContact O-N 3.44Å
268	A	95.9	Very high	92.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-38.3	177	0	0	0	0	0	112.8	F235 P236 L243 L264 V265 E266 Y271 Q272	F235-A268 HydrophobicContact CB-CB 3.54Å; P236-A268 HydrophobicContact CB-CB 4.4Å; P236-A268 HydrophobicContact CG-CB 3.99Å; L243-A268 HydrophobicContact CD1-CB 3.79Å; L243-A268 HydrophobicContact CD2-CB 4.48Å; L264-A268 PolarHBondContact O-N 3.37Å; V265-A268 WeakPolarHBondContact O-CB 3.38Å; V265-A268 PolarHBondContact O-N 2.7Å; E266-A268 VanDerWaalsContact C-N 3.34Å; A268-Y271 WeakPolarHBondContact O-CB 3.35Å; A268-Y271 PolarHBondContact O-N 2.96Å; A268-Q272 WeakPolarHBondContact O-CG 3.38Å; A268-Q272 PolarHBondContact O-N 2.94Å
269	L	96.2	Very high	93.7	Very high	47 Å²	47	44.6 Å²	44.6	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-65.6	-41.3	174.6	-70.9	170.5	0	0	0	111.8	L243 V244 V265 E266 E267 Y271 Q272 A273	L243-L269 HydrophobicContact CB-CD2 3.85Å; L243-L269 HydrophobicContact CB-CG 4.45Å; L243-L269 HydrophobicContact CD1-CD2 4.05Å; L243-L269 HydrophobicContact CD1-CG 4.4Å; V244-L269 HydrophobicContact CG2-CD1 4.2Å; V244-L269 HydrophobicContact CG2-CD2 3.68Å; V265-L269 HydrophobicContact CG1-CD1 4.3Å; V265-L269 HydrophobicContact CG1-CG 4.49Å; V265-L269 WeakPolarHBondContact O-CG 3.23Å; V265-L269 PolarHBondContact O-N 3.43Å; E266-L269 PolarHBondContact O-N 2.89Å; E267-L269 VanDerWaalsContact C-N 3.32Å; E267-L269 PolarHBondContact O-N 3.43Å; L269-Y271 VanDerWaalsContact C-N 3.29Å; L269-Y271 PolarHBondContact O-N 3.28Å; L269-Q272 PolarHBondContact O-N 2.93Å; L269-A273 VanDerWaalsContact O-CB 3.26Å; L269-A273 WeakPolarHBondContact O-CB 3.34Å; L269-A273 PolarHBondContact O-N 2.85Å
270	R	95.6	Very high	94.5	Very high	149 Å²	149	45.3 Å²	45.3	56%	0.562	23%	0.23	S	C	*	.	H	α-helix	trans	-61.6	-39	174	-69	176.7	-163.3	112.8	9	111.4	E266 E267 A273	E266-R270 WeakPolarHBondContact O-CG 3.21Å; E266-R270 PolarHBondContact O-N 3.3Å; E266-R270 IonicContact OE2-NH2 3.67Å; E266-R270 PolarHBondContact OE2-NH2 2.78Å; E267-R270 WeakPolarHBondContact O-CB 3.31Å; E267-R270 PolarHBondContact O-N 2.87Å; R270-A273 PolarHBondContact O-N 2.71Å
271	Y	95.3	Very high	94.8	Very high	9 Å²	9	47.6 Å²	47.6	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-45.3	174.9	179.7	-95.8	0	0	0	112.5	P236 E267 A268 L269 A273 R274 Q278 L281 Q282 T286 R371	P236-Y271 HydrophobicContact CB-CD1 3.68Å; P236-Y271 HydrophobicContact CB-CE1 4.11Å; P236-Y271 HydrophobicContact CB-CG 4.04Å; E267-Y271 PolarHBondContact O-N 3.44Å; A268-Y271 WeakPolarHBondContact O-CB 3.35Å; A268-Y271 PolarHBondContact O-N 2.96Å; L269-Y271 VanDerWaalsContact C-N 3.29Å; L269-Y271 PolarHBondContact O-N 3.28Å; Y271-A273 VanDerWaalsContact C-N 3.34Å; Y271-R274 PolarHBondContact O-N 3.34Å; Y271-Q278 HydrophobicContact CD1-CG 4.22Å; Y271-Q278 HydrophobicContact CD2-CG 4.17Å; Y271-Q278 HydrophobicContact CE1-CB 4.4Å; Y271-Q278 HydrophobicContact CE1-CG 3.82Å; Y271-Q278 HydrophobicContact CE2-CB 3.79Å; Y271-Q278 HydrophobicContact CE2-CG 3.75Å; Y271-Q278 HydrophobicContact CG-CG 4.38Å; Y271-Q278 WeakPolarHBondContact O-CG 3.5Å; Y271-Q278 PolarHBondContact O-NE2 3.46Å; Y271-Q278 VanDerWaalsContact O-NE2 3.11Å; Y271-L281 HydrophobicContact CD2-CB 3.81Å; Y271-L281 HydrophobicContact CD2-CD1 4.21Å; Y271-L281 HydrophobicContact CE2-CB 3.86Å; Y271-Q282 PolarHBondContact OH-NE2 3.48Å; Y271-T286 HydrophobicContact CD2-CG2 3.99Å; Y271-T286 HydrophobicContact CE1-CG2 4.43Å; Y271-T286 HydrophobicContact CE2-CG2 3.67Å; Y271-T286 HydrophobicContact CG-CG2 4.5Å; Y271-R371 PolarHBondContact OH-NH1 3.37Å; Y271-R371 PolarHBondContact OH-NH2 3.49Å
272	Q	93.8	Very high	94.9	Very high	33 Å²	33	50.9 Å²	50.9	15%	0.154	25%	0.254	C	S	.	.	H	α-helix	trans	-69.4	-31.1	178.1	-72.4	-66.3	-26.8	0	0	112.7	P236 A240 L243 A268 L269 R274	P236-Q272 PolarHBondContact O-NE2 2.84Å; A240-Q272 HydrophobicContact CB-CB 4.07Å; A240-Q272 HydrophobicContact CB-CG 4.46Å; L243-Q272 HydrophobicContact CD1-CG 4.37Å; A268-Q272 WeakPolarHBondContact O-CG 3.38Å; A268-Q272 PolarHBondContact O-N 2.94Å; L269-Q272 PolarHBondContact O-N 2.93Å; Q272-R274 PolarHBondContact O-N 3.4Å
273	A	94.5	Very high	94.9	Very high	77 Å²	77	52 Å²	52	64%	0.636	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.9	179.1	0	0	0	0	0	114.3	L269 R270 Y271 P275	L269-A273 VanDerWaalsContact O-CB 3.26Å; L269-A273 WeakPolarHBondContact O-CB 3.34Å; L269-A273 PolarHBondContact O-N 2.85Å; R270-A273 PolarHBondContact O-N 2.71Å; Y271-A273 VanDerWaalsContact C-N 3.34Å; A273-P275 VanDerWaalsContact C-CD 3.45Å; A273-P275 WeakPolarHBondContact O-CD 3.4Å
274	R	94.6	Very high	94.6	Very high	124 Å²	124	52.7 Å²	52.7	47%	0.468	27%	0.271	S	S	.	.			trans	-123.7	65.5	-179	-61.3	178.5	65.6	-166.7	0.5	112.1	Y271 Q272 S276 A277 Q278	Y271-R274 PolarHBondContact O-N 3.34Å; Q272-R274 PolarHBondContact O-N 3.4Å; R274-S276 PolarHBondContact O-N 3.43Å; R274-A277 HydrophobicContact CB-CB 4.09Å; R274-A277 PolarHBondContact O-N 3.45Å; R274-A277 VanDerWaalsContact O-N 3.07Å; R274-Q278 WeakPolarHBondContact O-CG 3.39Å; R274-Q278 PolarHBondContact O-N 3.34Å
275	P	93.7	Very high	94.4	Very high	61 Å²	61	53.5 Å²	53.5	40%	0.396	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-49.9	-53.9	-174.7	-28	35.3	0	0	0	112.8	A273 A277 Q278 R367	A273-P275 VanDerWaalsContact C-CD 3.45Å; A273-P275 WeakPolarHBondContact O-CD 3.4Å; P275-A277 VanDerWaalsContact C-N 3.25Å; P275-A277 PolarHBondContact O-N 3.37Å; P275-A277 VanDerWaalsContact O-N 3.17Å; P275-Q278 VanDerWaalsContact O-CB 3.3Å; P275-Q278 WeakPolarHBondContact O-CB 3.33Å; P275-Q278 WeakPolarHBondContact O-CG 3.41Å; P275-Q278 PolarHBondContact O-N 2.88Å; P275-Q278 VanDerWaalsContact O-N 3.12Å; P275-R367 VanDerWaalsContact O-CZ 3.3Å; P275-R367 PolarHBondContact O-NH1 2.93Å; P275-R367 PolarHBondContact O-NH2 3.5Å
276	S	95.8	Very high	94.2	Very high	31 Å²	31	53.5 Å²	53.5	22%	0.217	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-55.7	-35.2	-178.6	54.2	0	0	0	0	114.2	R274 P279 P417	R274-S276 PolarHBondContact O-N 3.43Å; S276-P279 VanDerWaalsContact O-CD 3.26Å; S276-P279 WeakPolarHBondContact O-CD 3.21Å; S276-P417 CarbonylContact C-O 3.59Å; S276-P417 WeakPolarHBondContact CB-O 3.32Å; S276-P417 CarbonylContact O-C 3.57Å; S276-P417 WeakPolarHBondContact O-CB 3.28Å; S276-P417 PolarHBondContact OG-O 3.4Å
277	A	96.5	Very high	94	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.017	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-85.4	-13.2	-177.4	0	0	0	0	0	114.2	R274 P275 P279 L280 P417	R274-A277 HydrophobicContact CB-CB 4.09Å; R274-A277 PolarHBondContact O-N 3.45Å; R274-A277 VanDerWaalsContact O-N 3.07Å; P275-A277 VanDerWaalsContact C-N 3.25Å; P275-A277 PolarHBondContact O-N 3.37Å; P275-A277 VanDerWaalsContact O-N 3.17Å; A277-P279 VanDerWaalsContact C-N 3.32Å; A277-P279 VanDerWaalsContact O-N 3.17Å; A277-L280 WeakPolarHBondContact O-CB 3.44Å; A277-L280 PolarHBondContact O-N 3.04Å; A277-P417 PolarHBondContact N-O 3.27Å
278	Q	96	Very high	93.6	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.019	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-48.3	-40.9	-179.2	-71.5	173.4	-16.9	0	0	115.2	Y271 R274 P275 L280 L281 Q282 F344	Y271-Q278 HydrophobicContact CD1-CG 4.22Å; Y271-Q278 HydrophobicContact CD2-CG 4.17Å; Y271-Q278 HydrophobicContact CE1-CB 4.4Å; Y271-Q278 HydrophobicContact CE1-CG 3.82Å; Y271-Q278 HydrophobicContact CE2-CB 3.79Å; Y271-Q278 HydrophobicContact CE2-CG 3.75Å; Y271-Q278 HydrophobicContact CG-CG 4.38Å; Y271-Q278 WeakPolarHBondContact O-CG 3.5Å; Y271-Q278 PolarHBondContact O-NE2 3.46Å; Y271-Q278 VanDerWaalsContact O-NE2 3.11Å; R274-Q278 WeakPolarHBondContact O-CG 3.39Å; R274-Q278 PolarHBondContact O-N 3.34Å; P275-Q278 VanDerWaalsContact O-CB 3.3Å; P275-Q278 WeakPolarHBondContact O-CB 3.33Å; P275-Q278 WeakPolarHBondContact O-CG 3.41Å; P275-Q278 PolarHBondContact O-N 2.88Å; P275-Q278 VanDerWaalsContact O-N 3.12Å; Q278-L280 PolarHBondContact O-N 2.83Å; Q278-L281 PolarHBondContact O-N 3.11Å; Q278-Q282 PolarHBondContact O-NE2 2.91Å; Q278-F344 HydrophobicContact CB-CE2 3.96Å; Q278-F344 HydrophobicContact CB-CZ 3.55Å
279	P	95.8	Very high	93.2	Very high	7 Å²	7	50.9 Å²	50.9	5%	0.045	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-56.8	-22.8	178.2	-18.3	25.1	0	0	0	114.7	S276 A277 L341 G342 F344 Y346 P417	S276-P279 VanDerWaalsContact O-CD 3.26Å; S276-P279 WeakPolarHBondContact O-CD 3.21Å; A277-P279 VanDerWaalsContact C-N 3.32Å; A277-P279 VanDerWaalsContact O-N 3.17Å; P279-L341 HydrophobicContact CB-CD2 4.3Å; P279-L341 HydrophobicContact CB-CG 3.99Å; P279-G342 WeakPolarHBondContact O-CA 3.21Å; P279-F344 HydrophobicContact CB-CD2 3.9Å; P279-F344 HydrophobicContact CB-CE2 4.21Å; P279-F344 HydrophobicContact CG-CD2 3.72Å; P279-F344 HydrophobicContact CG-CE2 4.01Å; P279-F344 HydrophobicContact CG-CG 4.36Å; P279-Y346 HydrophobicContact CG-CE2 4.2Å; P279-Y346 WeakPolarHBondContact CG-OH 3.39Å; P279-P417 HydrophobicContact CG-CB 4.44Å
280	L	96.3	Very high	92.5	Very high	48 Å²	48	50 Å²	50	25%	0.251	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-93.5	-11.4	179.8	-51.1	-176.3	0	0	0	112.3	A277 Q278 E395 P417 A418	A277-L280 WeakPolarHBondContact O-CB 3.44Å; A277-L280 PolarHBondContact O-N 3.04Å; Q278-L280 PolarHBondContact O-N 2.83Å; L280-E395 HydrophobicContact CD1-CB 4.22Å; L280-E395 HydrophobicContact CD2-CB 3.58Å; L280-E395 HydrophobicContact CD2-CG 3.9Å; L280-P417 HydrophobicContact CD1-CB 4.22Å; L280-P417 HydrophobicContact CD1-CG 4.4Å; L280-P417 HydrophobicContact CD2-CG 4.38Å; L280-P417 HydrophobicContact CG-CB 4.27Å; L280-P417 HydrophobicContact CG-CG 4.42Å; L280-A418 HydrophobicContact CD1-CB 3.98Å
281	L	95.1	Very high	92.1	Very high	66 Å²	66	44.3 Å²	44.3	35%	0.346	26%	0.258	S	S	.	.	S	Bend	trans	-104.2	37.3	-176.7	-58	176.7	0	0	0	110.9	Y271 Q278 T286	Y271-L281 HydrophobicContact CD2-CB 3.81Å; Y271-L281 HydrophobicContact CD2-CD1 4.21Å; Y271-L281 HydrophobicContact CE2-CB 3.86Å; Q278-L281 PolarHBondContact O-N 3.11Å; L281-T286 WeakPolarHBondContact O-CG2 3.38Å
282	Q	92.6	Very high	91.7	Very high	69 Å²	69	45 Å²	45	32%	0.322	27%	0.265	S	S	.	.			trans	-80.3	129	-178.3	-63.7	-51.3	-60.4	0	0	111.9	Y271 Q278 T286 G342	Y271-Q282 PolarHBondContact OH-NE2 3.48Å; Q278-Q282 PolarHBondContact O-NE2 2.91Å; Q282-T286 VanDerWaalsContact CA-OG1 3.29Å; Q282-T286 WeakPolarHBondContact CA-OG1 3.25Å; Q282-T286 PolarHBondContact OE1-OG1 3.19Å; Q282-G342 VanDerWaalsContact CD-O 3.28Å; Q282-G342 WeakPolarHBondContact CG-O 3.28Å
283	T	92.1	Very high	91.6	Very high	66 Å²	66	48.9 Å²	48.9	41%	0.405	28%	0.283	S	S	.	.			trans	-139.1	173	173.5	71.7	0	0	0	0	109.2	R285 T286 A287	T283-R285 PolarHBondContact O-N 3.15Å; T283-R285 PolarHBondContact OG1-N 3.42Å; T283-T286 PolarHBondContact N-OG1 3.25Å; T283-T286 PolarHBondContact O-N 2.98Å; T283-T286 PolarHBondContact O-OG1 2.97Å; T283-T286 VanDerWaalsContact O-OG1 3.05Å; T283-A287 PolarHBondContact O-N 3.13Å
284	D	87.9	Confident	91.5	Very high	145 Å²	145	47.2 Å²	47.2	78%	0.775	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.8	172.9	-64	-27.1	0	0	0	112.6
285	R	90.6	Very high	91.6	Very high	34 Å²	34	41.3 Å²	41.3	13%	0.128	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-13.7	178.6	-53.7	-173	68.4	141.8	10.3	114.1	L230 A231 I233 R234 F235 P236 T283	L230-R285 PolarHBondContact O-NH2 3.39Å; A231-R285 PolarHBondContact O-NE 3.02Å; A231-R285 PolarHBondContact O-NH1 3Å; A231-R285 PolarHBondContact O-NH2 2.96Å; I233-R285 PolarHBondContact O-NH2 3.4Å; R234-R285 VanDerWaalsContact CB-O 3.31Å; R234-R285 WeakPolarHBondContact CB-O 3.41Å; F235-R285 VanDerWaalsContact CD2-NH2 3.33Å; P236-R285 HydrophobicContact CG-CB 4.36Å; T283-R285 PolarHBondContact O-N 3.15Å; T283-R285 PolarHBondContact OG1-N 3.42Å
286	T	91.6	Very high	91.7	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-6.5	176.7	68.2	0	0	0	0	112.7	P236 L237 Y271 L281 Q282 T283 R371	P236-T286 HydrophobicContact CB-CG2 3.8Å; P236-T286 HydrophobicContact CG-CG2 4.08Å; L237-T286 WeakPolarHBondContact CD2-O 3.23Å; Y271-T286 HydrophobicContact CD2-CG2 3.99Å; Y271-T286 HydrophobicContact CE1-CG2 4.43Å; Y271-T286 HydrophobicContact CE2-CG2 3.67Å; Y271-T286 HydrophobicContact CG-CG2 4.5Å; L281-T286 WeakPolarHBondContact O-CG2 3.38Å; Q282-T286 VanDerWaalsContact CA-OG1 3.29Å; Q282-T286 WeakPolarHBondContact CA-OG1 3.25Å; Q282-T286 PolarHBondContact OE1-OG1 3.19Å; T283-T286 PolarHBondContact N-OG1 3.25Å; T283-T286 PolarHBondContact O-N 2.98Å; T283-T286 PolarHBondContact O-OG1 2.97Å; T283-T286 VanDerWaalsContact O-OG1 3.05Å; T286-R371 PolarHBondContact O-NH1 2.9Å
287	A	88.5	Confident	91.7	Very high	42 Å²	42	37.1 Å²	37.1	35%	0.347	21%	0.21	S	C	.	.	S	Bend	trans	-75.1	146.9	173.4	0	0	0	0	0	111.3	R234 L237 T283	R234-A287 VanDerWaalsContact CD-O 3.25Å; R234-A287 WeakPolarHBondContact CD-O 3.37Å; R234-A287 PolarHBondContact NH1-O 3.45Å; L237-A287 WeakPolarHBondContact CD1-O 3.43Å; T283-A287 PolarHBondContact O-N 3.13Å
288	L	87.4	Confident	91.7	Very high	24 Å²	24	37 Å²	37	13%	0.126	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-67.9	135.1	176.8	-82.7	170.1	0	0	0	112.6	R234 L237 R371 T594 R596	R234-L288 PolarHBondContact NH1-O 3.41Å; L237-L288 HydrophobicContact CD1-CD2 4.41Å; L288-R371 HydrophobicContact CD1-CB 4.41Å; L288-R371 HydrophobicContact CD1-CG 3.77Å; L288-R371 HydrophobicContact CD2-CB 3.68Å; L288-R371 HydrophobicContact CD2-CG 3.72Å; L288-R371 HydrophobicContact CG-CB 4.17Å; L288-R371 HydrophobicContact CG-CG 3.6Å; L288-T594 HydrophobicContact CB-CG2 4.48Å; L288-T594 HydrophobicContact CD1-CG2 4.4Å; L288-R596 HydrophobicContact CD1-CG 4.38Å; L288-R596 HydrophobicContact CD2-CG 3.94Å
289	R	86.5	Confident	91.7	Very high	28 Å²	28	37.1 Å²	37.1	11%	0.106	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	133.8	170.8	-167	177.5	-59.7	-90.9	6.1	108.6	L195 S197 E205 H232 G291	L195-R289 PolarHBondContact O-NH1 2.96Å; L195-R289 PolarHBondContact O-NH2 3.29Å; S197-R289 PolarHBondContact O-NH1 2.93Å; E205-R289 IonicContact OE1-CZ 3.54Å; E205-R289 IonicContact OE1-NE 3.02Å; E205-R289 PolarHBondContact OE1-NE 3.11Å; E205-R289 IonicContact OE1-NH2 2.93Å; E205-R289 PolarHBondContact OE1-NH2 2.73Å; E205-R289 IonicContact OE2-NH2 2.73Å; H232-R289 PolarHBondContact O-NH2 2.75Å; R289-G291 PolarHBondContact O-N 2.89Å; R289-G291 VanDerWaalsContact O-N 3.15Å
290	G	82.8	Confident	91.6	Very high	29 Å²	29	36.8 Å²	36.8	30%	0.299	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	21.7	-173.2	0	0	0	0	0	113.7	S198 A597	S198-G290 VanDerWaalsContact O-CA 3.23Å; S198-G290 WeakPolarHBondContact O-CA 3.32Å; S198-G290 PolarHBondContact O-N 3.33Å; G290-A597 VanDerWaalsContact O-CB 3.27Å; G290-A597 WeakPolarHBondContact O-CB 3.31Å; G290-A597 PolarHBondContact O-N 2.61Å
291	G	85.8	Confident	91.4	Very high	30 Å²	30	35 Å²	35	31%	0.309	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	138.9	177.6	0	0	0	0	0	110.5	R289 V595	R289-G291 PolarHBondContact O-N 2.89Å; R289-G291 VanDerWaalsContact O-N 3.15Å; G291-V595 CarbonylContact C-O 3.57Å; G291-V595 WeakPolarHBondContact CA-O 3.33Å
292	A	87.7	Confident	91.2	Very high	22 Å²	22	32 Å²	32	18%	0.182	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138	176	0	0	0	0	0	110.2	R294 T594 V595 A597	A292-R294 PolarHBondContact O-N 2.85Å; A292-T594 WeakPolarHBondContact O-CA 3.33Å; A292-V595 PolarHBondContact N-O 2.85Å; A292-V595 PolarHBondContact O-N 2.85Å; A292-A597 HydrophobicContact CB-CB 4.49Å
293	E	91.5	Very high	90.7	Very high	116 Å²	116	30.7 Å²	30.7	54%	0.542	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	129.8	174.9	-68.6	-170.8	153.3	0	0	110.1	W544 V592	E293-W544 PolarHBondContact O-NE1 2.77Å; E293-V592 HydrophobicContact CB-CG1 3.92Å; E293-V592 HydrophobicContact CG-CG1 4.38Å
294	R	93.1	Very high	90	Very high	41 Å²	41	30.5 Å²	30.5	16%	0.155	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.2	178.4	-64.8	-67.2	-179	-97.2	4.5	110.1	A292 L316 V592 C593 V595	A292-R294 PolarHBondContact O-N 2.85Å; R294-L316 WeakPolarHBondContact CD-O 3.3Å; R294-V592 WeakPolarHBondContact O-CA 3.44Å; R294-C593 PolarHBondContact N-O 3.29Å; R294-C593 PolarHBondContact O-N 3.35Å; R294-C593 VanDerWaalsContact O-N 3.11Å; R294-V595 HydrophobicContact CB-CG2 3.87Å; R294-V595 HydrophobicContact CG-CG2 3.4Å; R294-V595 VanDerWaalsContact CG-CG2 3.4Å
295	L	95.8	Very high	89.2	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	128.4	169.3	175.6	63.8	0	0	0	109	R315 L316 W323 A542 W544 Y549 L551 V592	L295-R315 CarbonylContact O-C 3.56Å; L295-R315 WeakPolarHBondContact O-CA 3.45Å; L295-L316 HydrophobicContact CB-CB 4.19Å; L295-L316 HydrophobicContact CD2-CD2 4.07Å; L295-L316 PolarHBondContact O-N 3.34Å; L295-W323 HydrophobicContact CD2-CH2 4.04Å; L295-W323 HydrophobicContact CD2-CZ2 4.28Å; L295-W323 HydrophobicContact CG-CH2 4.02Å; L295-A542 HydrophobicContact CD1-CB 3.49Å; L295-A542 VanDerWaalsContact CD1-CB 3.49Å; L295-W544 HydrophobicContact CB-CB 4.44Å; L295-W544 HydrophobicContact CB-CD2 3.97Å; L295-W544 HydrophobicContact CB-CE3 3.95Å; L295-W544 HydrophobicContact CB-CG 4.19Å; L295-W544 HydrophobicContact CD2-CE3 4.46Å; L295-Y549 HydrophobicContact CD2-CD1 3.63Å; L295-Y549 HydrophobicContact CD2-CD2 4.43Å; L295-Y549 HydrophobicContact CD2-CE1 4.25Å; L295-Y549 HydrophobicContact CD2-CG 3.75Å; L295-L551 HydrophobicContact CD1-CD1 4.29Å; L295-L551 HydrophobicContact CD2-CD1 4.17Å; L295-L551 HydrophobicContact CD2-CD2 4.3Å; L295-L551 HydrophobicContact CG-CD1 4.33Å; L295-V592 HydrophobicContact CD1-CG2 4.38Å
296	M	96	Very high	88.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.2	-179	-55.8	-172.2	84.6	0	0	111.1	V313 W314 R315 Q326 I345 Y368 A590 C591 C593 V595	M296-V313 HydrophobicContact CE-CG1 3.52Å; M296-W314 CarbonylContact C-O 3.51Å; M296-W314 WeakPolarHBondContact CA-O 3.36Å; M296-R315 HydrophobicContact CE-CB 4.45Å; M296-R315 HydrophobicContact CG-CB 4.38Å; M296-Q326 HydrophobicContact CE-CB 4.45Å; M296-Q326 HydrophobicContact CE-CG 4.15Å; M296-I345 HydrophobicContact CE-CD1 4.39Å; M296-I345 HydrophobicContact SD-CD1 3.46Å; M296-I345 WeakPolarHBondContact SD-CD1 3.41Å; M296-Y368 HydrophobicContact CE-CE1 4.38Å; M296-A590 CarbonylContact O-C 3.51Å; M296-A590 WeakPolarHBondContact O-CA 3.46Å; M296-A590 WeakPolarHBondContact O-CB 3.35Å; M296-C591 PolarHBondContact N-O 3.29Å; M296-C591 PolarHBondContact O-N 2.99Å; M296-C593 HydrophobicContact SD-CB 3.93Å; M296-V595 HydrophobicContact CE-CG1 4.29Å; M296-V595 HydrophobicContact SD-CG1 4.01Å
297	L	96.8	Very high	87.4	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.2	174.4	-177.2	74.6	0	0	0	108.6	W314 W323 L551 L581 T585 A588 A590	L297-W314 HydrophobicContact CB-CB 4.4Å; L297-W314 PolarHBondContact N-O 3.47Å; L297-W314 PolarHBondContact O-N 2.89Å; L297-W323 HydrophobicContact CB-CH2 4.02Å; L297-W323 HydrophobicContact CB-CZ3 3.83Å; L297-L551 HydrophobicContact CB-CD1 4.3Å; L297-L551 HydrophobicContact CD1-CB 4.14Å; L297-L551 HydrophobicContact CD1-CD1 3.96Å; L297-L581 HydrophobicContact CD2-CD1 3.78Å; L297-L581 HydrophobicContact CD2-CD2 3.71Å; L297-L581 HydrophobicContact CD2-CG 4.34Å; L297-T585 HydrophobicContact CD2-CG2 4.15Å; L297-A588 HydrophobicContact CD1-CB 3.7Å; L297-A588 HydrophobicContact CG-CB 4.17Å; L297-A590 HydrophobicContact CD1-CB 4.16Å
298	I	96.8	Very high	87.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.2	-173.5	-50.6	-176.3	0	0	0	110.1	V313 L329 H336 L338 I345 W375 A589	I298-V313 HydrophobicContact CD1-CG1 4.25Å; I298-V313 HydrophobicContact CD1-CG2 4.41Å; I298-V313 HydrophobicContact CG1-CG1 4.12Å; I298-V313 HydrophobicContact CG1-CG2 4.29Å; I298-V313 HydrophobicContact CG2-CG2 4.03Å; I298-L329 HydrophobicContact CG2-CB 4.24Å; I298-L329 HydrophobicContact CG2-CD2 4.4Å; I298-H336 PolarHBondContact O-CE1 2.92Å; I298-H336 PolarHBondContact O-NE2 2.67Å; I298-L338 HydrophobicContact CB-CD1 4Å; I298-L338 HydrophobicContact CB-CD2 4.49Å; I298-L338 HydrophobicContact CD1-CD1 3.83Å; I298-L338 HydrophobicContact CD1-CD2 4.13Å; I298-L338 HydrophobicContact CG1-CD1 3.92Å; I298-I345 HydrophobicContact CD1-CD1 4.33Å; I298-I345 HydrophobicContact CD1-CG2 4.06Å; I298-W375 HydrophobicContact CD1-CH2 4.11Å; I298-W375 HydrophobicContact CD1-CZ2 4.2Å; I298-W375 HydrophobicContact CG2-CZ2 4.48Å; I298-A589 PolarHBondContact N-O 2.97Å; I298-A589 PolarHBondContact O-N 3.29Å; I298-A589 VanDerWaalsContact O-N 3.17Å
299	G	94.9	Very high	87.4	Confident	5 Å²	5	45.7 Å²	45.7	5%	0.052	26%	0.258	C	S	.	.			trans	61.9	-147.2	171.9	0	0	0	0	0	114.9	S310 S312 A588	G299-S310 WeakPolarHBondContact CA-O 3.2Å; G299-S312 PolarHBondContact N-O 2.99Å; G299-S312 VanDerWaalsContact N-O 3.11Å; G299-A588 WeakPolarHBondContact O-CB 3.26Å
300	G	93.8	Very high	87.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.254	C	S	.	.			trans	101.2	175.1	-177.4	0	0	0	0	0	114.2	S310 R333	G300-S310 PolarHBondContact O-N 3.04Å; G300-R333 PolarHBondContact N-O 2.71Å
301	E	93.2	Very high	88.1	Confident	11 Å²	11	43.6 Å²	43.6	5%	0.051	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	149.9	168.8	-69	175.1	-151.2	0	0	110.2	E308 L309 S334 H335 R354 F561 T585 A586	E301-E308 WeakPolarHBondContact CA-O 3.42Å; E301-L309 HydrophobicContact CG-CD2 3.79Å; E301-S334 PolarHBondContact OE1-OG 3.43Å; E301-S334 VanDerWaalsContact OE1-OG 3.11Å; E301-H335 IonicContact OE1-CE1 2.81Å; E301-H335 IonicContact OE1-ND1 3.36Å; E301-R354 HydrophobicContact CG-CG 4.27Å; E301-R354 VanDerWaalsContact OE2-CG 3.31Å; E301-R354 WeakPolarHBondContact OE2-CG 3.09Å; E301-R354 IonicContact OE2-NE 3.22Å; E301-R354 PolarHBondContact OE2-NE 3.35Å; E301-F561 HydrophobicContact CB-CE2 3.74Å; E301-F561 HydrophobicContact CB-CZ 3.82Å; E301-T585 WeakPolarHBondContact O-CA 3.2Å; E301-T585 WeakPolarHBondContact O-CB 3.17Å; E301-T585 PolarHBondContact O-OG1 3.18Å; E301-A586 PolarHBondContact N-O 2.82Å; E301-A586 PolarHBondContact O-N 3.37Å
302	V	90.6	Very high	88.5	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.5	-179.9	-71.2	0	0	0	0	111	E304 Q307 E308 M583 R584	V302-E304 WeakPolarHBondContact CB-OE2 3.4Å; V302-Q307 HydrophobicContact CG2-CB 3.87Å; V302-Q307 HydrophobicContact CG2-CG 3.64Å; V302-Q307 WeakPolarHBondContact CG2-O 3.5Å; V302-E308 PolarHBondContact N-O 3.37Å; V302-E308 VanDerWaalsContact N-O 3.08Å; V302-M583 HydrophobicContact CG1-CB 4.44Å; V302-M583 HydrophobicContact CG1-SD 4.15Å; V302-R584 WeakPolarHBondContact CA-O 3.33Å
303	G	80.7	Confident	88.9	Confident	42 Å²	42	41.9 Å²	41.9	43%	0.433	23%	0.226	S	C	.	.			trans	-94.7	-4.9	-175.9	0	0	0	0	0	113.1	R584	G303-R584 PolarHBondContact N-O 2.93Å; G303-R584 VanDerWaalsContact N-O 3.12Å
304	E	78.7	Confident	89.1	Confident	62 Å²	62	38.5 Å²	38.5	29%	0.29	21%	0.208	S	C	.	.	S	Bend	trans	-72.6	142.9	-178.1	-70.8	71.3	-163.1	0	0	111.5	V302 G306 Q307 M583 R584	V302-E304 WeakPolarHBondContact CB-OE2 3.4Å; E304-G306 PolarHBondContact O-N 2.62Å; E304-Q307 PolarHBondContact O-N 3.26Å; E304-M583 HydrophobicContact CG-CG 4.47Å; E304-M583 WeakPolarHBondContact OE1-CA 3.32Å; E304-M583 WeakPolarHBondContact OE1-CB 3.41Å; E304-R584 PolarHBondContact OE1-N 3.29Å
305	R	70.6	Confident	89.1	Confident	259 Å²	259	37.3 Å²	37.3	98%	0.977	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	132.6	-176.4	-70	-174.5	-174.9	-171.4	1.3	111.3
306	G	69.1	Low	88.9	Confident	93 Å²	93	37.5 Å²	37.5	96%	0.959	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	2.6	173.1	0	0	0	0	0	115	E304	E304-G306 PolarHBondContact O-N 2.62Å
307	Q	75.8	Confident	88.3	Confident	76 Å²	76	38.7 Å²	38.7	36%	0.355	21%	0.211	S	C	.	.			trans	-134.8	132	173.6	-168.1	176.6	0.7	0	0	109.1	V302 E304 L309	V302-Q307 HydrophobicContact CG2-CB 3.87Å; V302-Q307 HydrophobicContact CG2-CG 3.64Å; V302-Q307 WeakPolarHBondContact CG2-O 3.5Å; E304-Q307 PolarHBondContact O-N 3.26Å; Q307-L309 WeakPolarHBondContact CG-O 3.48Å; Q307-L309 PolarHBondContact NE2-O 2.81Å
308	E	84.7	Confident	87.2	Confident	115 Å²	115	40.2 Å²	40.2	54%	0.537	23%	0.228	S	C	.	.	S	Bend	trans	-103.3	-39.4	177.5	-66	-177.5	168	0	0	111.7	E301 V302	E301-E308 WeakPolarHBondContact CA-O 3.42Å; V302-E308 PolarHBondContact N-O 3.37Å; V302-E308 VanDerWaalsContact N-O 3.08Å
309	L	90.9	Very high	86	Confident	23 Å²	23	47.8 Å²	47.8	12%	0.12	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-123	139.7	-178.6	-62.7	175	0	0	0	110.8	E301 Q307 P332 A352	E301-L309 HydrophobicContact CG-CD2 3.79Å; Q307-L309 WeakPolarHBondContact CG-O 3.48Å; Q307-L309 PolarHBondContact NE2-O 2.81Å; L309-P332 HydrophobicContact CB-CB 4.12Å; L309-A352 VanDerWaalsContact CD1-O 3.26Å; L309-A352 WeakPolarHBondContact CD1-O 3.26Å
310	S	92	Very high	85	Confident	4 Å²	4	50 Å²	50	3%	0.028	28%	0.278	C	S	.	.			trans	-99.2	141.6	172.3	-170.6	0	0	0	0	110.9	G299 G300 S312	G299-S310 WeakPolarHBondContact CA-O 3.2Å; G300-S310 PolarHBondContact O-N 3.04Å; S310-S312 WeakPolarHBondContact OG-CB 3.31Å; S310-S312 PolarHBondContact OG-N 2.84Å; S310-S312 PolarHBondContact OG-OG 3.31Å
311	G	92.2	Very high	84.5	Confident	8 Å²	8	53.9 Å²	53.9	8%	0.082	30%	0.302	C	S	.	.			trans	-103.8	0	162.2	0	0	0	0	0	111.9	V313 Q328 L329	G311-V313 PolarHBondContact O-N 2.94Å; G311-Q328 CarbonylContact O-C 3.47Å; G311-Q328 VanDerWaalsContact O-CA 3.28Å; G311-Q328 WeakPolarHBondContact O-CA 3.34Å; G311-L329 WeakPolarHBondContact O-CB 3.35Å; G311-L329 PolarHBondContact O-N 2.87Å
312	S	94.5	Very high	84.2	Confident	16 Å²	16	62 Å²	62	11%	0.112	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	137.3	-171.4	-62.1	0	0	0	0	111.9	G299 S310 W314	G299-S312 PolarHBondContact N-O 2.99Å; G299-S312 VanDerWaalsContact N-O 3.11Å; S310-S312 WeakPolarHBondContact OG-CB 3.31Å; S310-S312 PolarHBondContact OG-N 2.84Å; S310-S312 PolarHBondContact OG-OG 3.31Å; S312-W314 VanDerWaalsContact CB-NE1 3.26Å
313	V	95.3	Very high	84.3	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	104.7	169.8	179.4	0	0	0	0	106.4	M296 I298 G311 Q326 G327 W375	M296-V313 HydrophobicContact CE-CG1 3.52Å; I298-V313 HydrophobicContact CD1-CG1 4.25Å; I298-V313 HydrophobicContact CD1-CG2 4.41Å; I298-V313 HydrophobicContact CG1-CG1 4.12Å; I298-V313 HydrophobicContact CG1-CG2 4.29Å; I298-V313 HydrophobicContact CG2-CG2 4.03Å; G311-V313 PolarHBondContact O-N 2.94Å; V313-Q326 HydrophobicContact CG1-CB 4.14Å; V313-Q326 HydrophobicContact CG1-CG 4.49Å; V313-Q326 WeakPolarHBondContact O-CB 3.48Å; V313-Q326 PolarHBondContact O-N 3.23Å; V313-G327 PolarHBondContact N-O 3.47Å; V313-G327 PolarHBondContact O-N 3.18Å; V313-W375 HydrophobicContact CG2-CZ2 3.88Å
314	W	94.9	Very high	84.9	Confident	45 Å²	45	62.7 Å²	62.7	17%	0.17	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.7	176.9	-65.3	100	0	0	0	109.9	M296 L297 S312 W323 E324 L325 P582	M296-W314 CarbonylContact C-O 3.51Å; M296-W314 WeakPolarHBondContact CA-O 3.36Å; L297-W314 HydrophobicContact CB-CB 4.4Å; L297-W314 PolarHBondContact N-O 3.47Å; L297-W314 PolarHBondContact O-N 2.89Å; S312-W314 VanDerWaalsContact CB-NE1 3.26Å; W314-W323 HydrophobicContact CB-CE3 3.69Å; W314-W323 HydrophobicContact CB-CZ3 4.13Å; W314-W323 HydrophobicContact CE3-CB 4.23Å; W314-E324 WeakPolarHBondContact CA-O 3.34Å; W314-L325 HydrophobicContact CD2-CD1 4.33Å; W314-L325 HydrophobicContact CE3-CB 4.08Å; W314-L325 HydrophobicContact CH2-CB 4.06Å; W314-L325 HydrophobicContact CH2-CD1 4.48Å; W314-L325 HydrophobicContact CZ2-CD1 4.26Å; W314-L325 HydrophobicContact CZ3-CB 3.75Å; W314-P582 HydrophobicContact CD2-CG 3.83Å; W314-P582 HydrophobicContact CE3-CG 3.67Å; W314-P582 HydrophobicContact CH2-CB 3.83Å; W314-P582 HydrophobicContact CH2-CG 3.85Å; W314-P582 HydrophobicContact CZ2-CB 3.82Å; W314-P582 HydrophobicContact CZ2-CG 3.97Å; W314-P582 HydrophobicContact CZ3-CB 4.18Å; W314-P582 HydrophobicContact CZ3-CG 3.68Å
315	R	93.6	Very high	85.6	Confident	16 Å²	16	64.1 Å²	64.1	6%	0.06	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.4	168.8	68.2	169.8	-171.8	-159.4	5.5	110.1	L295 M296 W323 E324 Q326 E598	L295-R315 CarbonylContact O-C 3.56Å; L295-R315 WeakPolarHBondContact O-CA 3.45Å; M296-R315 HydrophobicContact CE-CB 4.45Å; M296-R315 HydrophobicContact CG-CB 4.38Å; R315-W323 VanDerWaalsContact C-CE3 3.49Å; R315-W323 CarbonylContact O-C 3.52Å; R315-W323 WeakPolarHBondContact O-CA 3.27Å; R315-E324 HydrophobicContact CG-CB 4.14Å; R315-E324 IonicContact CZ-OE2 2.77Å; R315-E324 PolarHBondContact N-O 2.89Å; R315-E324 IonicContact NE-OE2 2.87Å; R315-E324 PolarHBondContact NE-OE2 2.84Å; R315-E324 VanDerWaalsContact NE-OE2 3.14Å; R315-E324 IonicContact NH2-OE2 2.74Å; R315-E324 PolarHBondContact NH2-OE2 3.15Å; R315-E324 PolarHBondContact O-N 2.85Å; R315-Q326 VanDerWaalsContact CD-OE1 3.24Å; R315-Q326 HydrophobicContact CG-CB 4.4Å; R315-Q326 VanDerWaalsContact CZ-OE1 3.3Å; R315-E598 IonicContact CZ-OE1 2.77Å; R315-E598 IonicContact NH2-OE1 2.73Å; R315-E598 PolarHBondContact NH2-OE1 3.22Å; R315-E598 IonicContact NH2-OE2 3.18Å
316	L	92.4	Very high	86.5	Confident	4 Å²	4	53 Å²	53	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.2	171.3	-179.1	62	0	0	0	109.2	R294 L295 W323 W544 P579	R294-L316 WeakPolarHBondContact CD-O 3.3Å; L295-L316 HydrophobicContact CB-CB 4.19Å; L295-L316 HydrophobicContact CD2-CD2 4.07Å; L295-L316 PolarHBondContact O-N 3.34Å; L316-W323 HydrophobicContact CB-CD2 4.26Å; L316-W323 HydrophobicContact CB-CE3 4.13Å; L316-W323 HydrophobicContact CB-CH2 4.18Å; L316-W323 HydrophobicContact CB-CZ2 4.26Å; L316-W323 HydrophobicContact CB-CZ3 4.12Å; L316-W323 HydrophobicContact CD1-CD2 4.33Å; L316-W323 HydrophobicContact CD1-CG 4.39Å; L316-W544 HydrophobicContact CD2-CE3 4.41Å; L316-W544 HydrophobicContact CD2-CH2 4.47Å; L316-W544 HydrophobicContact CD2-CZ3 3.74Å; L316-W544 HydrophobicContact CG-CZ3 4.4Å; L316-P579 HydrophobicContact CD1-CB 4.3Å; L316-P579 HydrophobicContact CD1-CG 3.58Å; L316-P579 HydrophobicContact CD2-CG 3.93Å; L316-P579 HydrophobicContact CG-CG 4.44Å
317	D	82.4	Confident	87.5	Confident	25 Å²	25	49.7 Å²	49.7	13%	0.134	26%	0.257	C	S	.	.			trans	-73.6	132.6	173.3	176.3	39.8	0	0	0	111	E319 S320 V321 R322 E324	D317-E319 PolarHBondContact OD1-N 3.19Å; D317-S320 WeakPolarHBondContact CB-OG 3.49Å; D317-S320 WeakPolarHBondContact OD2-CB 3.05Å; D317-S320 PolarHBondContact OD2-N 3.08Å; D317-S320 PolarHBondContact OD2-OG 2.9Å; D317-V321 VanDerWaalsContact O-CA 3.3Å; D317-V321 WeakPolarHBondContact O-CA 3.37Å; D317-V321 PolarHBondContact O-N 2.86Å; D317-V321 VanDerWaalsContact O-N 3.13Å; D317-R322 PolarHBondContact N-O 2.99Å; D317-E324 HydrophobicContact CB-CG 4.48Å
318	G	73.4	Confident	88.4	Confident	38 Å²	38	52.3 Å²	52.3	39%	0.392	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-27.1	-175.6	0	0	0	0	0	113.6
319	E	73.1	Confident	88.8	Confident	158 Å²	158	47 Å²	47	74%	0.738	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-50.5	-177.5	-65.6	-177	-176.9	0	0	111.7	D317	D317-E319 PolarHBondContact OD1-N 3.19Å
320	S	72.5	Confident	88.9	Confident	51 Å²	51	49.8 Å²	49.8	36%	0.357	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-14.1	-178.3	68	0	0	0	0	113.8	D317 R322	D317-S320 WeakPolarHBondContact CB-OG 3.49Å; D317-S320 WeakPolarHBondContact OD2-CB 3.05Å; D317-S320 PolarHBondContact OD2-N 3.08Å; D317-S320 PolarHBondContact OD2-OG 2.9Å; S320-R322 WeakPolarHBondContact O-CG 3.3Å; S320-R322 PolarHBondContact O-N 3.04Å
321	V	83.3	Confident	88.7	Confident	83 Å²	83	50.5 Å²	50.5	50%	0.503	27%	0.27	S	S	.	.			trans	55.4	41.1	-175.4	-162.9	0	0	0	0	110.9	D317 P579	D317-V321 VanDerWaalsContact O-CA 3.3Å; D317-V321 WeakPolarHBondContact O-CA 3.37Å; D317-V321 PolarHBondContact O-N 2.86Å; D317-V321 VanDerWaalsContact O-N 3.13Å; V321-P579 HydrophobicContact CG1-CB 4.15Å; V321-P579 HydrophobicContact CG1-CG 3.96Å; V321-P579 WeakPolarHBondContact O-CB 3.21Å
322	R	88.6	Confident	88.6	Confident	180 Å²	180	53.1 Å²	53.1	68%	0.679	29%	0.285	S	S	*	.			trans	-127.8	150.8	-178.9	-69.5	177.7	-174.2	-161.5	1	111.7	D317 S320	D317-R322 PolarHBondContact N-O 2.99Å; S320-R322 WeakPolarHBondContact O-CG 3.3Å; S320-R322 PolarHBondContact O-N 3.04Å
323	W	92.7	Very high	88.5	Confident	24 Å²	24	52.6 Å²	52.6	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128.3	173.1	-70.8	96.8	0	0	0	110.5	L295 L297 W314 R315 L316 L551 P579 D580 L581 P582	L295-W323 HydrophobicContact CD2-CH2 4.04Å; L295-W323 HydrophobicContact CD2-CZ2 4.28Å; L295-W323 HydrophobicContact CG-CH2 4.02Å; L297-W323 HydrophobicContact CB-CH2 4.02Å; L297-W323 HydrophobicContact CB-CZ3 3.83Å; W314-W323 HydrophobicContact CB-CE3 3.69Å; W314-W323 HydrophobicContact CB-CZ3 4.13Å; W314-W323 HydrophobicContact CE3-CB 4.23Å; R315-W323 VanDerWaalsContact C-CE3 3.49Å; R315-W323 CarbonylContact O-C 3.52Å; R315-W323 WeakPolarHBondContact O-CA 3.27Å; L316-W323 HydrophobicContact CB-CD2 4.26Å; L316-W323 HydrophobicContact CB-CE3 4.13Å; L316-W323 HydrophobicContact CB-CH2 4.18Å; L316-W323 HydrophobicContact CB-CZ2 4.26Å; L316-W323 HydrophobicContact CB-CZ3 4.12Å; L316-W323 HydrophobicContact CD1-CD2 4.33Å; L316-W323 HydrophobicContact CD1-CG 4.39Å; W323-L551 HydrophobicContact CH2-CD1 3.62Å; W323-L551 HydrophobicContact CH2-CD2 4.43Å; W323-L551 HydrophobicContact CZ2-CD1 3.98Å; W323-L551 HydrophobicContact CZ2-CD2 3.95Å; W323-P579 PolarHBondContact NE1-O 2.75Å; W323-D580 VanDerWaalsContact CD1-O 3.23Å; W323-L581 HydrophobicContact CD2-CD2 4.14Å; W323-L581 VanDerWaalsContact CE2-CD2 3.44Å; W323-L581 HydrophobicContact CH2-CD2 4.16Å; W323-L581 HydrophobicContact CZ2-CD2 3.46Å; W323-L581 VanDerWaalsContact CZ2-CD2 3.46Å; W323-P582 HydrophobicContact CB-CG 3.55Å; W323-P582 HydrophobicContact CG-CG 4.23Å
324	E	92.6	Very high	88.4	Confident	36 Å²	36	52.6 Å²	52.6	17%	0.168	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.7	-179.3	-62.6	-177.3	154.1	0	0	110.5	W314 R315 D317 Q326	W314-E324 WeakPolarHBondContact CA-O 3.34Å; R315-E324 HydrophobicContact CG-CB 4.14Å; R315-E324 IonicContact CZ-OE2 2.77Å; R315-E324 PolarHBondContact N-O 2.89Å; R315-E324 IonicContact NE-OE2 2.87Å; R315-E324 PolarHBondContact NE-OE2 2.84Å; R315-E324 VanDerWaalsContact NE-OE2 3.14Å; R315-E324 IonicContact NH2-OE2 2.74Å; R315-E324 PolarHBondContact NH2-OE2 3.15Å; R315-E324 PolarHBondContact O-N 2.85Å; D317-E324 HydrophobicContact CB-CG 4.48Å; E324-Q326 PolarHBondContact O-N 2.89Å
325	L	92.3	Very high	88.4	Confident	93 Å²	93	51.6 Å²	51.6	49%	0.487	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	112.4	178.6	-177.3	66.4	0	0	0	109	W314	W314-L325 HydrophobicContact CD2-CD1 4.33Å; W314-L325 HydrophobicContact CE3-CB 4.08Å; W314-L325 HydrophobicContact CH2-CB 4.06Å; W314-L325 HydrophobicContact CH2-CD1 4.48Å; W314-L325 HydrophobicContact CZ2-CD1 4.26Å; W314-L325 HydrophobicContact CZ3-CB 3.75Å
326	Q	89.6	Confident	88.5	Confident	24 Å²	24	51.2 Å²	51.2	11%	0.112	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-28.5	-179.6	-179.1	66.9	53.8	0	0	112.4	M296 V313 R315 E324 E373	M296-Q326 HydrophobicContact CE-CB 4.45Å; M296-Q326 HydrophobicContact CE-CG 4.15Å; V313-Q326 HydrophobicContact CG1-CB 4.14Å; V313-Q326 HydrophobicContact CG1-CG 4.49Å; V313-Q326 WeakPolarHBondContact O-CB 3.48Å; V313-Q326 PolarHBondContact O-N 3.23Å; R315-Q326 VanDerWaalsContact CD-OE1 3.24Å; R315-Q326 HydrophobicContact CG-CB 4.4Å; R315-Q326 VanDerWaalsContact CZ-OE1 3.3Å; E324-Q326 PolarHBondContact O-N 2.89Å; Q326-E373 PolarHBondContact NE2-OE1 3.12Å; Q326-E373 PolarHBondContact NE2-OE2 2.75Å
327	G	91.4	Very high	88.8	Confident	24 Å²	24	51.9 Å²	51.9	25%	0.247	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-162.6	-176.5	0	0	0	0	0	112.8	V313	V313-G327 PolarHBondContact N-O 3.47Å; V313-G327 PolarHBondContact O-N 3.18Å
328	Q	94.3	Very high	89.5	Confident	132 Å²	132	51.8 Å²	51.8	62%	0.617	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.1	-179.5	-65.9	-177.7	-9.9	0	0	111.4	G311 W375	G311-Q328 CarbonylContact O-C 3.47Å; G311-Q328 VanDerWaalsContact O-CA 3.28Å; G311-Q328 WeakPolarHBondContact O-CA 3.34Å; Q328-W375 VanDerWaalsContact O-CD1 3.24Å; Q328-W375 PolarHBondContact O-NE1 3.13Å; Q328-W375 VanDerWaalsContact O-NE1 3.15Å
329	L	93.5	Very high	90.7	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	27%	0.265	C	S	.	.			trans	-65.7	126.8	165.9	-179	69.1	0	0	0	108.4	I298 G311 A331 R333 A347 H366 W375	I298-L329 HydrophobicContact CG2-CB 4.24Å; I298-L329 HydrophobicContact CG2-CD2 4.4Å; G311-L329 WeakPolarHBondContact O-CB 3.35Å; G311-L329 PolarHBondContact O-N 2.87Å; L329-A331 WeakPolarHBondContact CD2-O 3.47Å; L329-A331 PolarHBondContact O-N 3.23Å; L329-R333 HydrophobicContact CD2-CG 3.78Å; L329-A347 HydrophobicContact CD1-CB 4.05Å; L329-H366 HydrophobicContact CD1-CB 4.12Å; L329-W375 HydrophobicContact CB-CZ2 4.45Å; L329-W375 HydrophobicContact CD1-CD2 4.16Å; L329-W375 HydrophobicContact CD1-CE3 3.97Å; L329-W375 HydrophobicContact CD1-CH2 3.6Å; L329-W375 HydrophobicContact CD1-CZ2 3.82Å; L329-W375 HydrophobicContact CD1-CZ3 3.68Å
330	P	91.4	Very high	91.8	Very high	80 Å²	80	45.3 Å²	45.3	52%	0.519	25%	0.246	S	C	.	.	S	Bend	trans	-58.3	-21.9	-173.9	-29.3	36.2	0	0	0	115.6	W375	P330-W375 HydrophobicContact CG-CB 3.54Å; P330-W375 HydrophobicContact CG-CG 3.9Å
331	A	87.8	Confident	93	Very high	19 Å²	19	43.6 Å²	43.6	16%	0.157	23%	0.233	C	C	.	.	S	Bend	trans	-135.4	97.8	178.4	0	0	0	0	0	109.2	L329 R333	L329-A331 WeakPolarHBondContact CD2-O 3.47Å; L329-A331 PolarHBondContact O-N 3.23Å; A331-R333 VanDerWaalsContact CB-NH2 3.3Å; A331-R333 PolarHBondContact O-NE 2.79Å
332	P	90.9	Very high	93.5	Very high	63 Å²	63	40.8 Å²	40.8	41%	0.409	22%	0.22	S	C	.	.			trans	-50.5	136.4	177	-28.3	35.9	0	0	0	111.8	L309	L309-P332 HydrophobicContact CB-CB 4.12Å
333	R	92.4	Very high	93.8	Very high	6 Å²	6	33.9 Å²	33.9	2%	0.023	21%	0.205	C	C	.	.			trans	-164	154.1	-174.8	62.4	-174.3	75.6	-170.1	-0.1	112	G300 L329 A331 H336 G349 S351 C362 H366	G300-R333 PolarHBondContact N-O 2.71Å; L329-R333 HydrophobicContact CD2-CG 3.78Å; A331-R333 VanDerWaalsContact CB-NH2 3.3Å; A331-R333 PolarHBondContact O-NE 2.79Å; R333-H336 HydrophobicContact CG-CB 3.96Å; R333-H336 PolarHBondContact O-ND1 2.89Å; R333-G349 WeakPolarHBondContact CD-O 3.29Å; R333-G349 PolarHBondContact NH1-O 3.49Å; R333-S351 WeakPolarHBondContact CA-O 3.3Å; R333-S351 WeakPolarHBondContact CB-O 3.44Å; R333-C362 PolarHBondContact NH1-SG 3.32Å; R333-H366 PolarHBondContact NH2-CE1 3.01Å; R333-H366 PolarHBondContact NH2-ND1 3.05Å
334	S	93.9	Very high	93.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-109.9	166.2	170.1	71.2	0	0	0	0	111.1	E301 H336 G350 S351	E301-S334 PolarHBondContact OE1-OG 3.43Å; E301-S334 VanDerWaalsContact OE1-OG 3.11Å; S334-H336 PolarHBondContact O-N 3.15Å; S334-G350 CarbonylContact O-C 3.51Å; S334-G350 WeakPolarHBondContact O-CA 3.31Å; S334-S351 PolarHBondContact N-O 2.97Å; S334-S351 PolarHBondContact O-N 2.86Å
335	H	94.7	Very high	94.2	Very high	24 Å²	24	31 Å²	31	11%	0.111	19%	0.192	C	C	.	.	S	Bend	trans	55.1	24.8	172.7	-61.2	90.1	0	0	0	114.2	E301 G350 V386 D387 E538 G587	E301-H335 IonicContact OE1-CE1 2.81Å; E301-H335 IonicContact OE1-ND1 3.36Å; H335-G350 WeakPolarHBondContact O-CA 3.42Å; H335-V386 HydrophobicContact CB-CG2 3.35Å; H335-D387 WeakPolarHBondContact CB-OD1 3.37Å; H335-D387 IonicContact CD2-OD1 3.16Å; H335-D387 PolarHBondContact CD2-OD1 2.85Å; H335-D387 IonicContact CG-OD1 2.71Å; H335-D387 IonicContact NE2-OD1 2.68Å; H335-E538 IonicContact CE1-OE2 3.29Å; H335-E538 PolarHBondContact CE1-OE2 2.9Å; H335-E538 IonicContact NE2-OE1 3.06Å; H335-E538 IonicContact NE2-OE2 3.57Å; H335-E538 PolarHBondContact NE2-OE2 3.07Å; H335-E538 VanDerWaalsContact NE2-OE2 3.16Å; H335-G587 PolarHBondContact N-O 2.68Å
336	H	96.1	Very high	94.5	Very high	7 Å²	7	26.6 Å²	26.6	3%	0.032	17%	0.169	C	C	.	.			trans	-83.6	160.1	169	65.8	-76.9	0	0	0	108.6	I298 R333 S334 A348 G349	I298-H336 PolarHBondContact O-CE1 2.92Å; I298-H336 PolarHBondContact O-NE2 2.67Å; R333-H336 HydrophobicContact CG-CB 3.96Å; R333-H336 PolarHBondContact O-ND1 2.89Å; S334-H336 PolarHBondContact O-N 3.15Å; H336-A348 WeakPolarHBondContact CB-O 3.49Å; H336-G349 WeakPolarHBondContact CB-O 3.16Å
337	C	97.4	Very high	94.9	Very high	19 Å²	19	25.5 Å²	25.5	13%	0.128	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	144.2	177.4	-59.6	0	0	0	0	110.7	A347 A348 F388 L390	C337-A347 WeakPolarHBondContact O-CA 3.49Å; C337-A348 PolarHBondContact N-O 2.9Å; C337-A348 VanDerWaalsContact N-O 3.11Å; C337-A348 PolarHBondContact O-N 3.49Å; C337-F388 HydrophobicContact CB-CE1 4.39Å; C337-F388 HydrophobicContact CB-CE2 4.19Å; C337-F388 HydrophobicContact CB-CZ 3.97Å; C337-F388 PolarHBondContact SG-O 2.78Å; C337-L390 HydrophobicContact CB-CB 3.34Å; C337-L390 HydrophobicContact CB-CD2 4.33Å; C337-L390 HydrophobicContact CB-CG 4.48Å
338	L	97.8	Very high	95.2	Very high	22 Å²	22	24.3 Å²	24.3	12%	0.115	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.8	169.7	-60.6	177.9	0	0	0	110.6	I298 I345 Y346 A347 A589 C591	I298-L338 HydrophobicContact CB-CD1 4Å; I298-L338 HydrophobicContact CB-CD2 4.49Å; I298-L338 HydrophobicContact CD1-CD1 3.83Å; I298-L338 HydrophobicContact CD1-CD2 4.13Å; I298-L338 HydrophobicContact CG1-CD1 3.92Å; L338-I345 HydrophobicContact CB-CG2 4.45Å; L338-I345 HydrophobicContact CD1-CG2 4.43Å; L338-I345 HydrophobicContact CD2-CG2 3.92Å; L338-I345 HydrophobicContact CG-CG2 4.47Å; L338-Y346 CarbonylContact C-O 3.58Å; L338-Y346 WeakPolarHBondContact CA-O 3.41Å; L338-A347 HydrophobicContact CD2-CB 3.64Å; L338-A589 HydrophobicContact CB-CB 4.27Å; L338-A589 HydrophobicContact CD1-CB 3.78Å; L338-A589 WeakPolarHBondContact CD1-O 3.38Å; L338-A589 HydrophobicContact CG-CB 3.53Å; L338-C591 HydrophobicContact CB-CB 4.28Å; L338-C591 HydrophobicContact CD1-CB 4.2Å
339	A	97.9	Very high	95.3	Very high	7 Å²	7	18 Å²	18	6%	0.058	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	144.7	165.7	0	0	0	0	0	109.3	Y346 L390 A392 L397	A339-Y346 PolarHBondContact N-O 2.98Å; A339-Y346 PolarHBondContact O-N 3.16Å; A339-L390 HydrophobicContact CB-CD2 3.57Å; A339-L390 HydrophobicContact CB-CG 3.8Å; A339-A392 HydrophobicContact CB-CB 4.15Å; A339-L397 HydrophobicContact CB-CD2 3.96Å
340	V	97.6	Very high	95.4	Very high	53 Å²	53	17.9 Å²	17.9	32%	0.321	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.8	177.9	-178.6	0	0	0	0	108.5	F344 I345 A392 C591	V340-F344 VanDerWaalsContact CA-O 3.29Å; V340-F344 WeakPolarHBondContact CA-O 3.49Å; V340-I345 HydrophobicContact CG2-CG1 4.32Å; V340-A392 WeakPolarHBondContact O-CB 3.46Å; V340-C591 HydrophobicContact CG2-CB 3.84Å
341	L	97.1	Very high	95.4	Very high	16 Å²	16	14.2 Å²	14.2	8%	0.084	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	126.5	179.2	-179.4	66.2	0	0	0	108.6	P279 G343 F344 Y346 A392 G394 L397 P417	P279-L341 HydrophobicContact CB-CD2 4.3Å; P279-L341 HydrophobicContact CB-CG 3.99Å; L341-G343 PolarHBondContact O-N 3.5Å; L341-G343 VanDerWaalsContact O-N 3.16Å; L341-F344 PolarHBondContact N-O 3.04Å; L341-F344 PolarHBondContact O-N 3.42Å; L341-Y346 HydrophobicContact CB-CD2 4.27Å; L341-Y346 HydrophobicContact CB-CE2 4.01Å; L341-A392 HydrophobicContact CB-CB 4.32Å; L341-G394 WeakPolarHBondContact CD1-O 3.46Å; L341-L397 HydrophobicContact CB-CD2 3.93Å; L341-L397 HydrophobicContact CD2-CD2 3.94Å; L341-L397 HydrophobicContact CD2-CG 4.3Å; L341-P417 HydrophobicContact CD2-CG 3.68Å
342	G	94.1	Very high	95.3	Very high	23 Å²	23	16.8 Å²	16.8	24%	0.237	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	29.5	178.4	0	0	0	0	0	114.9	P279 Q282 F344	P279-G342 WeakPolarHBondContact O-CA 3.21Å; Q282-G342 VanDerWaalsContact CD-O 3.28Å; Q282-G342 WeakPolarHBondContact CG-O 3.28Å; G342-F344 VanDerWaalsContact C-N 3.34Å; G342-F344 WeakPolarHBondContact O-CD2 3.24Å; G342-F344 WeakPolarHBondContact O-CE2 3.1Å
343	G	93.6	Very high	95	Very high	35 Å²	35	15.2 Å²	15.2	36%	0.361	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	10.2	-176.4	0	0	0	0	0	115.2	L341 P370 C593	L341-G343 PolarHBondContact O-N 3.5Å; L341-G343 VanDerWaalsContact O-N 3.16Å; G343-P370 WeakPolarHBondContact O-CD 3.5Å; G343-P370 VanDerWaalsContact O-CG 3.23Å; G343-P370 WeakPolarHBondContact O-CG 3.4Å; G343-C593 PolarHBondContact O-SG 2.97Å
344	F	96.2	Very high	94.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	146.9	173.6	-59.7	-97.8	0	0	0	110.7	Q278 P279 V340 L341 G342 Y346 R367 D369 R371	Q278-F344 HydrophobicContact CB-CE2 3.96Å; Q278-F344 HydrophobicContact CB-CZ 3.55Å; P279-F344 HydrophobicContact CB-CD2 3.9Å; P279-F344 HydrophobicContact CB-CE2 4.21Å; P279-F344 HydrophobicContact CG-CD2 3.72Å; P279-F344 HydrophobicContact CG-CE2 4.01Å; P279-F344 HydrophobicContact CG-CG 4.36Å; V340-F344 VanDerWaalsContact CA-O 3.29Å; V340-F344 WeakPolarHBondContact CA-O 3.49Å; L341-F344 PolarHBondContact N-O 3.04Å; L341-F344 PolarHBondContact O-N 3.42Å; G342-F344 VanDerWaalsContact C-N 3.34Å; G342-F344 WeakPolarHBondContact O-CD2 3.24Å; G342-F344 WeakPolarHBondContact O-CE2 3.1Å; F344-Y346 HydrophobicContact CB-CD2 4.48Å; F344-Y346 HydrophobicContact CB-CE2 3.96Å; F344-R367 HydrophobicContact CB-CG 3.94Å; F344-R367 HydrophobicContact CD1-CG 4.22Å; F344-R367 HydrophobicContact CG-CG 4.4Å; F344-D369 HydrophobicContact CD1-CB 4.1Å; F344-D369 HydrophobicContact CE1-CB 4.03Å; F344-R371 VanDerWaalsContact CZ-CZ 3.43Å
345	I	97.8	Very high	93.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.8	174.9	-50.4	172.1	0	0	0	108.6	M296 I298 L338 V340 R367 Y368 C593	M296-I345 HydrophobicContact CE-CD1 4.39Å; M296-I345 HydrophobicContact SD-CD1 3.46Å; M296-I345 WeakPolarHBondContact SD-CD1 3.41Å; I298-I345 HydrophobicContact CD1-CD1 4.33Å; I298-I345 HydrophobicContact CD1-CG2 4.06Å; L338-I345 HydrophobicContact CB-CG2 4.45Å; L338-I345 HydrophobicContact CD1-CG2 4.43Å; L338-I345 HydrophobicContact CD2-CG2 3.92Å; L338-I345 HydrophobicContact CG-CG2 4.47Å; V340-I345 HydrophobicContact CG2-CG1 4.32Å; I345-R367 CarbonylContact O-C 3.55Å; I345-R367 VanDerWaalsContact O-CA 3.31Å; I345-R367 WeakPolarHBondContact O-CA 3.29Å; I345-Y368 HydrophobicContact CD1-CD1 3.89Å; I345-Y368 HydrophobicContact CG1-CD1 4.4Å; I345-Y368 PolarHBondContact N-O 2.79Å; I345-Y368 PolarHBondContact O-N 2.95Å; I345-C593 HydrophobicContact CD1-CB 3.69Å; I345-C593 HydrophobicContact CG1-CB 3.81Å
346	Y	98.3	Very high	91.7	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.6	174.3	-73.5	-92.2	0	0	0	110	P279 L338 A339 L341 F344 L365 H366 R367 L397 Y415	P279-Y346 HydrophobicContact CG-CE2 4.2Å; P279-Y346 WeakPolarHBondContact CG-OH 3.39Å; L338-Y346 CarbonylContact C-O 3.58Å; L338-Y346 WeakPolarHBondContact CA-O 3.41Å; A339-Y346 PolarHBondContact N-O 2.98Å; A339-Y346 PolarHBondContact O-N 3.16Å; L341-Y346 HydrophobicContact CB-CD2 4.27Å; L341-Y346 HydrophobicContact CB-CE2 4.01Å; F344-Y346 HydrophobicContact CB-CD2 4.48Å; F344-Y346 HydrophobicContact CB-CE2 3.96Å; Y346-L365 HydrophobicContact CD1-CD1 3.85Å; Y346-L365 HydrophobicContact CD1-CD2 4.11Å; Y346-L365 HydrophobicContact CD1-CG 4.08Å; Y346-L365 HydrophobicContact CE1-CD2 4.33Å; Y346-H366 CarbonylContact C-O 3.17Å; Y346-H366 WeakPolarHBondContact CA-O 3.36Å; Y346-R367 HydrophobicContact CD1-CB 3.93Å; Y346-R367 HydrophobicContact CD1-CG 4.05Å; Y346-R367 HydrophobicContact CD2-CG 4.46Å; Y346-R367 HydrophobicContact CE1-CB 3.77Å; Y346-R367 HydrophobicContact CE1-CG 3.68Å; Y346-R367 HydrophobicContact CE2-CG 4.07Å; Y346-R367 HydrophobicContact CG-CG 4.45Å; Y346-R367 VanDerWaalsContact CZ-CD 3.47Å; Y346-R367 VanDerWaalsContact OH-CD 3.24Å; Y346-R367 WeakPolarHBondContact OH-CD 3.32Å; Y346-L397 HydrophobicContact CD1-CD1 3.45Å; Y346-L397 VanDerWaalsContact CD1-CD1 3.45Å; Y346-L397 HydrophobicContact CD2-CD1 3.86Å; Y346-L397 HydrophobicContact CD2-CD2 4.25Å; Y346-L397 HydrophobicContact CE1-CD1 3.91Å; Y346-L397 HydrophobicContact CE2-CD1 4.32Å; Y346-L397 HydrophobicContact CG-CD1 3.38Å; Y346-L397 HydrophobicContact CG-CD2 4.48Å; Y346-Y415 HydrophobicContact CE1-CE1 4.01Å
347	A	97.9	Very high	90.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112.8	171.2	0	0	0	0	0	109.6	L329 C337 L338 H366 W375	L329-A347 HydrophobicContact CD1-CB 4.05Å; C337-A347 WeakPolarHBondContact O-CA 3.49Å; L338-A347 HydrophobicContact CD2-CB 3.64Å; A347-H366 HydrophobicContact CB-CB 4.5Å; A347-H366 PolarHBondContact N-O 3.41Å; A347-H366 PolarHBondContact O-N 3.45Å; A347-W375 HydrophobicContact CB-CH2 4.14Å; A347-W375 HydrophobicContact CB-CZ3 3.99Å
348	A	98.1	Very high	89.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.4	-176.2	0	0	0	0	0	112	H336 C337 L365 M381 F388 L390	H336-A348 WeakPolarHBondContact CB-O 3.49Å; C337-A348 PolarHBondContact N-O 2.9Å; C337-A348 VanDerWaalsContact N-O 3.11Å; C337-A348 PolarHBondContact O-N 3.49Å; A348-L365 HydrophobicContact CB-CD1 3.73Å; A348-M381 HydrophobicContact CB-CE 4.38Å; A348-F388 HydrophobicContact CB-CZ 3.97Å; A348-F388 WeakPolarHBondContact O-CE1 3.49Å; A348-F388 VanDerWaalsContact O-CZ 3.26Å; A348-F388 WeakPolarHBondContact O-CZ 3.19Å; A348-L390 HydrophobicContact CB-CD1 4.27Å; A348-L390 HydrophobicContact CB-CD2 3.77Å
349	G	96.8	Very high	88.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.213	C	C	.	.			trans	59.6	-146.2	172.5	0	0	0	0	0	113.1	R333 H336 C362 R364	R333-G349 WeakPolarHBondContact CD-O 3.29Å; R333-G349 PolarHBondContact NH1-O 3.49Å; H336-G349 WeakPolarHBondContact CB-O 3.16Å; G349-C362 WeakPolarHBondContact CA-O 3Å; G349-C362 PolarHBondContact O-SG 3.11Å; G349-R364 PolarHBondContact N-O 2.89Å
350	G	95.1	Very high	88.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.22	C	C	.	.			trans	94.4	-177.7	-176.5	0	0	0	0	0	113.4	S334 H335 C362 R385	S334-G350 CarbonylContact O-C 3.51Å; S334-G350 WeakPolarHBondContact O-CA 3.31Å; H335-G350 WeakPolarHBondContact O-CA 3.42Å; G350-C362 PolarHBondContact O-N 3.14Å; G350-C362 PolarHBondContact O-SG 2.9Å; G350-C362 VanDerWaalsContact O-SG 3.34Å; G350-R385 PolarHBondContact N-O 3.29Å
351	S	92.6	Very high	88.2	Confident	4 Å²	4	33.2 Å²	33.2	3%	0.028	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-107.6	136.1	179.4	-174.2	0	0	0	0	111.8	R333 S334 S353 A360	R333-S351 WeakPolarHBondContact CA-O 3.3Å; R333-S351 WeakPolarHBondContact CB-O 3.44Å; S334-S351 PolarHBondContact N-O 2.97Å; S334-S351 PolarHBondContact O-N 2.86Å; S351-S353 VanDerWaalsContact C-N 3.34Å; S351-S353 WeakPolarHBondContact CB-O 3.48Å; S351-S353 PolarHBondContact OG-N 2.89Å; S351-S353 PolarHBondContact OG-O 3.38Å; S351-A360 WeakPolarHBondContact OG-CB 3.2Å
352	A	86.2	Confident	88	Confident	72 Å²	72	33.1 Å²	33.1	60%	0.595	21%	0.206	S	C	*	.	S	Bend	trans	-91.3	3.5	172.8	0	0	0	0	0	113.4	L309 A360	L309-A352 VanDerWaalsContact CD1-O 3.26Å; L309-A352 WeakPolarHBondContact CD1-O 3.26Å; A352-A360 PolarHBondContact N-O 3.1Å
353	S	83.1	Confident	88.1	Confident	30 Å²	30	33.7 Å²	33.7	21%	0.21	20%	0.204	C	C	.	.	S	Bend	trans	-133.4	158.7	175.4	-177.6	0	0	0	0	109.6	S351 D355	S351-S353 VanDerWaalsContact C-N 3.34Å; S351-S353 WeakPolarHBondContact CB-O 3.48Å; S351-S353 PolarHBondContact OG-N 2.89Å; S351-S353 PolarHBondContact OG-O 3.38Å; S353-D355 WeakPolarHBondContact CB-OD2 3.34Å; S353-D355 PolarHBondContact O-N 3.3Å; S353-D355 PolarHBondContact OG-N 2.86Å; S353-D355 PolarHBondContact OG-OD2 3.05Å
354	R	76.2	Confident	88.3	Confident	104 Å²	104	36.4 Å²	36.4	39%	0.392	20%	0.203	S	C	.	.	S	Bend	trans	-74.9	-2.6	170.8	-156.1	179.1	178.1	-175.8	-5.2	113.1	E301 N356	E301-R354 HydrophobicContact CG-CG 4.27Å; E301-R354 VanDerWaalsContact OE2-CG 3.31Å; E301-R354 WeakPolarHBondContact OE2-CG 3.09Å; E301-R354 IonicContact OE2-NE 3.22Å; E301-R354 PolarHBondContact OE2-NE 3.35Å; R354-N356 PolarHBondContact O-N 2.91Å
355	D	71.3	Confident	88.3	Confident	110 Å²	110	36.4 Å²	36.4	59%	0.588	20%	0.203	S	C	*	.			trans	-61.7	128.1	179.7	-60.9	-45.3	0	0	0	111	S353 G357	S353-D355 WeakPolarHBondContact CB-OD2 3.34Å; S353-D355 PolarHBondContact O-N 3.3Å; S353-D355 PolarHBondContact OG-N 2.86Å; S353-D355 PolarHBondContact OG-OD2 3.05Å; D355-G357 PolarHBondContact O-N 3.13Å
356	N	65.3	Low	88.3	Confident	124 Å²	124	36.6 Å²	36.6	66%	0.663	20%	0.204	S	C	*	.	S	Bend	trans	-68.9	5.4	179.8	-68.2	-20.7	0	0	0	113.8	R354 R403	R354-N356 PolarHBondContact O-N 2.91Å; N356-R403 PolarHBondContact O-NH1 3.22Å; N356-R403 PolarHBondContact O-NH2 3.19Å
357	G	69.2	Low	88.3	Confident	17 Å²	17	37 Å²	37	18%	0.175	21%	0.205	C	C	.	.	S	Bend	trans	-91.9	166.8	-178.9	0	0	0	0	0	113.4	D355 D359	D355-G357 PolarHBondContact O-N 3.13Å; G357-D359 VanDerWaalsContact C-N 3.26Å; G357-D359 PolarHBondContact O-N 2.95Å
358	G	76.8	Confident	88.2	Confident	6 Å²	6	37.2 Å²	37.2	6%	0.062	21%	0.206	C	C	.	.	S	Bend	trans	-79.4	-5.4	174	0	0	0	0	0	114.1	A360 A361 N404 A405	G358-A360 PolarHBondContact O-N 3.01Å; G358-A361 WeakPolarHBondContact O-CB 3.19Å; G358-A361 PolarHBondContact O-N 3.5Å; G358-N404 CarbonylContact O-C 3.22Å; G358-N404 VanDerWaalsContact O-C 3.22Å; G358-N404 VanDerWaalsContact O-CA 3.25Å; G358-N404 WeakPolarHBondContact O-CA 3.26Å; G358-A405 PolarHBondContact O-N 2.87Å
359	D	83.5	Confident	88	Confident	128 Å²	128	37.6 Å²	37.6	68%	0.684	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-35.6	-170.4	-62.1	-31.2	0	0	0	113	G357 A361 A405	G357-D359 VanDerWaalsContact C-N 3.26Å; G357-D359 PolarHBondContact O-N 2.95Å; D359-A361 VanDerWaalsContact C-N 3.25Å; D359-A361 PolarHBondContact O-N 3.29Å; D359-A405 VanDerWaalsContact OD1-CA 3.31Å; D359-A405 WeakPolarHBondContact OD1-CA 3.16Å; D359-A405 VanDerWaalsContact OD1-CB 3.27Å; D359-A405 WeakPolarHBondContact OD1-CB 3.47Å
360	A	88.7	Confident	87.6	Confident	25 Å²	25	37.8 Å²	37.8	21%	0.207	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	7.8	178.7	0	0	0	0	0	113.6	S351 A352 G358	S351-A360 WeakPolarHBondContact OG-CB 3.2Å; A352-A360 PolarHBondContact N-O 3.1Å; G358-A360 PolarHBondContact O-N 3.01Å
361	A	93.7	Very high	87.1	Confident	2 Å²	2	38.5 Å²	38.5	2%	0.017	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-62.4	140.2	177.3	0	0	0	0	0	111.5	G358 D359 R384 V386 N404	G358-A361 WeakPolarHBondContact O-CB 3.19Å; G358-A361 PolarHBondContact O-N 3.5Å; D359-A361 VanDerWaalsContact C-N 3.25Å; D359-A361 PolarHBondContact O-N 3.29Å; A361-R384 HydrophobicContact CB-CB 4.02Å; A361-R384 WeakPolarHBondContact O-CB 3.47Å; A361-R384 WeakPolarHBondContact O-CD 3.39Å; A361-R384 PolarHBondContact O-NH1 2.97Å; A361-V386 HydrophobicContact CB-CB 4.2Å; A361-V386 HydrophobicContact CB-CG1 4.1Å; A361-N404 HydrophobicContact CB-CB 4.04Å
362	C	93.9	Very high	86.6	Confident	15 Å²	15	40.7 Å²	40.7	10%	0.101	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-117.9	165	175.4	76.9	0	0	0	0	112	R333 G349 G350 R384 R385	R333-C362 PolarHBondContact NH1-SG 3.32Å; G349-C362 WeakPolarHBondContact CA-O 3Å; G349-C362 PolarHBondContact O-SG 3.11Å; G350-C362 PolarHBondContact O-N 3.14Å; G350-C362 PolarHBondContact O-SG 2.9Å; G350-C362 VanDerWaalsContact O-SG 3.34Å; C362-R384 WeakPolarHBondContact O-CA 3.13Å; C362-R385 PolarHBondContact O-N 2.72Å
363	N	96.4	Very high	86.7	Confident	35 Å²	35	41.9 Å²	41.9	19%	0.187	22%	0.216	C	C	.	.			trans	-117.1	8.8	177.9	62.4	-22.8	0	0	0	112.7	P380 M381 Q383 R384	N363-P380 HydrophobicContact CB-CB 4.48Å; N363-P380 CarbonylContact O-C 3.48Å; N363-P380 WeakPolarHBondContact O-CA 3.49Å; N363-P380 WeakPolarHBondContact O-CB 3.48Å; N363-M381 HydrophobicContact CB-CB 4.03Å; N363-M381 WeakPolarHBondContact CB-O 3.4Å; N363-M381 PolarHBondContact ND2-O 2.74Å; N363-M381 PolarHBondContact O-N 2.67Å; N363-Q383 WeakPolarHBondContact CB-O 3.46Å; N363-R384 HydrophobicContact CB-CG 4.08Å
364	R	96.8	Very high	87.1	Confident	91 Å²	91	46 Å²	46	34%	0.343	23%	0.232	S	C	.	.			trans	-70.9	143.2	-175.3	-61.6	-178.1	75.2	-175	5.3	111	G349 E377	G349-R364 PolarHBondContact N-O 2.89Å; R364-E377 IonicContact CZ-OE1 2.76Å; R364-E377 IonicContact CZ-OE2 3.96Å; R364-E377 IonicContact NE-OE1 3.82Å; R364-E377 PolarHBondContact NE-OE1 2.85Å; R364-E377 IonicContact NH2-OE1 3.33Å; R364-E377 PolarHBondContact NH2-OE1 2.82Å; R364-E377 IonicContact NH2-OE2 2.81Å; R364-E377 PolarHBondContact NH2-OE2 2.89Å
365	L	97.6	Very high	88	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.8	172.9	-178.1	65.7	0	0	0	108.6	Y346 A348 G378 L397 Y415 W422	Y346-L365 HydrophobicContact CD1-CD1 3.85Å; Y346-L365 HydrophobicContact CD1-CD2 4.11Å; Y346-L365 HydrophobicContact CD1-CG 4.08Å; Y346-L365 HydrophobicContact CE1-CD2 4.33Å; A348-L365 HydrophobicContact CB-CD1 3.73Å; L365-G378 PolarHBondContact O-N 3.14Å; L365-L397 HydrophobicContact CD1-CD1 4.44Å; L365-Y415 HydrophobicContact CD2-CD1 4.13Å; L365-Y415 HydrophobicContact CD2-CD2 3.95Å; L365-Y415 HydrophobicContact CD2-CE1 3.93Å; L365-Y415 HydrophobicContact CD2-CE2 3.74Å; L365-Y415 HydrophobicContact CD2-CG 4.14Å; L365-W422 HydrophobicContact CD1-CZ2 4.31Å; L365-W422 HydrophobicContact CD2-CZ2 4.09Å
366	H	97.6	Very high	89.1	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.019	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.1	170.9	-66.7	78.9	0	0	0	109.2	L329 R333 Y346 A347 W375 T376	L329-H366 HydrophobicContact CD1-CB 4.12Å; R333-H366 PolarHBondContact NH2-CE1 3.01Å; R333-H366 PolarHBondContact NH2-ND1 3.05Å; Y346-H366 CarbonylContact C-O 3.17Å; Y346-H366 WeakPolarHBondContact CA-O 3.36Å; A347-H366 HydrophobicContact CB-CB 4.5Å; A347-H366 PolarHBondContact N-O 3.41Å; A347-H366 PolarHBondContact O-N 3.45Å; H366-W375 HydrophobicContact CB-CE3 3.63Å; H366-W375 HydrophobicContact CB-CZ3 3.85Å; H366-T376 CarbonylContact C-O 3.56Å; H366-T376 WeakPolarHBondContact CA-O 3Å
367	R	97.1	Very high	90.6	Very high	11 Å²	11	39.6 Å²	39.6	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.6	176.6	-177.1	-169	70.2	151.3	1.1	109.9	P275 F344 I345 Y346 W375 T376	P275-R367 VanDerWaalsContact O-CZ 3.3Å; P275-R367 PolarHBondContact O-NH1 2.93Å; P275-R367 PolarHBondContact O-NH2 3.5Å; F344-R367 HydrophobicContact CB-CG 3.94Å; F344-R367 HydrophobicContact CD1-CG 4.22Å; F344-R367 HydrophobicContact CG-CG 4.4Å; I345-R367 CarbonylContact O-C 3.55Å; I345-R367 VanDerWaalsContact O-CA 3.31Å; I345-R367 WeakPolarHBondContact O-CA 3.29Å; Y346-R367 HydrophobicContact CD1-CB 3.93Å; Y346-R367 HydrophobicContact CD1-CG 4.05Å; Y346-R367 HydrophobicContact CD2-CG 4.46Å; Y346-R367 HydrophobicContact CE1-CB 3.77Å; Y346-R367 HydrophobicContact CE1-CG 3.68Å; Y346-R367 HydrophobicContact CE2-CG 4.07Å; Y346-R367 HydrophobicContact CG-CG 4.45Å; Y346-R367 VanDerWaalsContact CZ-CD 3.47Å; Y346-R367 VanDerWaalsContact OH-CD 3.24Å; Y346-R367 WeakPolarHBondContact OH-CD 3.32Å; R367-W375 VanDerWaalsContact C-CE3 3.5Å; R367-W375 CarbonylContact O-C 3.43Å; R367-W375 WeakPolarHBondContact O-CA 3.43Å; R367-T376 PolarHBondContact N-O 2.9Å; R367-T376 PolarHBondContact NE-OG1 2.89Å; R367-T376 PolarHBondContact O-N 2.97Å; R367-T376 PolarHBondContact O-OG1 3.24Å
368	Y	96.1	Very high	92	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.6	173.6	-174.6	-117	0	0	0	110.6	M296 I345 P370 Q374 W375	M296-Y368 HydrophobicContact CE-CE1 4.38Å; I345-Y368 HydrophobicContact CD1-CD1 3.89Å; I345-Y368 HydrophobicContact CG1-CD1 4.4Å; I345-Y368 PolarHBondContact N-O 2.79Å; I345-Y368 PolarHBondContact O-N 2.95Å; Y368-P370 HydrophobicContact CD1-CB 4.28Å; Y368-P370 HydrophobicContact CE1-CB 3.93Å; Y368-P370 WeakPolarHBondContact O-CD 3.23Å; Y368-Q374 WeakPolarHBondContact CA-O 3.38Å; Y368-W375 AromaticContact CD2-CD1 3.72Å; Y368-W375 AromaticContact CD2-CD2 3.83Å; Y368-W375 HydrophobicContact CD2-CD2 3.83Å; Y368-W375 AromaticContact CD2-CE2 3.52Å; Y368-W375 AromaticContact CD2-CG 3.97Å; Y368-W375 HydrophobicContact CD2-CG 3.97Å; Y368-W375 HydrophobicContact CD2-CZ2 4.07Å; Y368-W375 AromaticContact CD2-NE1 3.42Å; Y368-W375 AromaticContact CE2-NE1 3.91Å; Y368-W375 HydrophobicContact CG-CD2 4.23Å; Y368-W375 AromaticContact CG-CE2 3.93Å; Y368-W375 HydrophobicContact CG-CH2 4.42Å; Y368-W375 HydrophobicContact CG-CZ2 4.04Å
369	D	93.1	Very high	93	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.043	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	106.2	167.3	-172.3	-28	0	0	0	108.8	F344 R371 L372 E373 Q374	F344-D369 HydrophobicContact CD1-CB 4.1Å; F344-D369 HydrophobicContact CE1-CB 4.03Å; D369-R371 PolarHBondContact O-N 2.79Å; D369-R371 WeakPolarHBondContact OD1-CA 3.39Å; D369-R371 WeakPolarHBondContact OD1-CB 3.18Å; D369-R371 WeakPolarHBondContact OD1-CG 3.4Å; D369-R371 IonicContact OD1-CZ 2.81Å; D369-R371 PolarHBondContact OD1-N 3.02Å; D369-R371 IonicContact OD1-NE 3.9Å; D369-R371 PolarHBondContact OD1-NE 3.47Å; D369-R371 IonicContact OD1-NH2 3.23Å; D369-R371 IonicContact OD2-CZ 3.92Å; D369-R371 IonicContact OD2-NE 2.91Å; D369-R371 PolarHBondContact OD2-NE 2.84Å; D369-R371 IonicContact OD2-NH2 2.76Å; D369-R371 PolarHBondContact OD2-NH2 2.9Å; D369-L372 PolarHBondContact O-N 2.86Å; D369-L372 PolarHBondContact OD1-N 2.99Å; D369-E373 VanDerWaalsContact O-CA 3.24Å; D369-E373 WeakPolarHBondContact O-CA 3.37Å; D369-E373 PolarHBondContact O-N 2.67Å; D369-Q374 PolarHBondContact N-O 3.3Å; D369-Q374 PolarHBondContact O-N 3.05Å
370	P	88.9	Confident	93.7	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.019	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-4.8	-179.2	30.9	-37.5	0	0	0	113.6	G343 Y368 T594 V595	G343-P370 WeakPolarHBondContact O-CD 3.5Å; G343-P370 VanDerWaalsContact O-CG 3.23Å; G343-P370 WeakPolarHBondContact O-CG 3.4Å; Y368-P370 HydrophobicContact CD1-CB 4.28Å; Y368-P370 HydrophobicContact CE1-CB 3.93Å; Y368-P370 WeakPolarHBondContact O-CD 3.23Å; P370-T594 WeakPolarHBondContact CB-O 3.49Å; P370-T594 WeakPolarHBondContact CG-O 3.27Å; P370-V595 HydrophobicContact CB-CG1 3.98Å
371	R	84.2	Confident	94.1	Very high	15 Å²	15	36.2 Å²	36.2	6%	0.057	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-33.2	-173.1	-42	172.5	-67.2	-162.9	0.6	111.3	Y271 T286 L288 F344 D369 R596	Y271-R371 PolarHBondContact OH-NH1 3.37Å; Y271-R371 PolarHBondContact OH-NH2 3.49Å; T286-R371 PolarHBondContact O-NH1 2.9Å; L288-R371 HydrophobicContact CD1-CB 4.41Å; L288-R371 HydrophobicContact CD1-CG 3.77Å; L288-R371 HydrophobicContact CD2-CB 3.68Å; L288-R371 HydrophobicContact CD2-CG 3.72Å; L288-R371 HydrophobicContact CG-CB 4.17Å; L288-R371 HydrophobicContact CG-CG 3.6Å; F344-R371 VanDerWaalsContact CZ-CZ 3.43Å; D369-R371 PolarHBondContact O-N 2.79Å; D369-R371 WeakPolarHBondContact OD1-CA 3.39Å; D369-R371 WeakPolarHBondContact OD1-CB 3.18Å; D369-R371 WeakPolarHBondContact OD1-CG 3.4Å; D369-R371 IonicContact OD1-CZ 2.81Å; D369-R371 PolarHBondContact OD1-N 3.02Å; D369-R371 IonicContact OD1-NE 3.9Å; D369-R371 PolarHBondContact OD1-NE 3.47Å; D369-R371 IonicContact OD1-NH2 3.23Å; D369-R371 IonicContact OD2-CZ 3.92Å; D369-R371 IonicContact OD2-NE 2.91Å; D369-R371 PolarHBondContact OD2-NE 2.84Å; D369-R371 IonicContact OD2-NH2 2.76Å; D369-R371 PolarHBondContact OD2-NH2 2.9Å; R371-R596 PolarHBondContact O-NE 2.82Å; R371-R596 PolarHBondContact O-NH2 2.89Å
372	L	82.8	Confident	94.3	Very high	50 Å²	50	41.4 Å²	41.4	26%	0.262	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-7.4	172.2	-60	179.6	0	0	0	112	D369 Q374	D369-L372 PolarHBondContact O-N 2.86Å; D369-L372 PolarHBondContact OD1-N 2.99Å; L372-Q374 VanDerWaalsContact C-N 3.25Å; L372-Q374 HydrophobicContact CB-CB 4.37Å; L372-Q374 HydrophobicContact CB-CG 4.37Å; L372-Q374 WeakPolarHBondContact O-CG 3.34Å; L372-Q374 PolarHBondContact O-N 2.99Å
373	E	87.8	Confident	94.5	Very high	97 Å²	97	43.1 Å²	43.1	45%	0.453	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	38.8	-174.9	-55.7	-175.3	178.7	0	0	112.8	Q326 D369	Q326-E373 PolarHBondContact NE2-OE1 3.12Å; Q326-E373 PolarHBondContact NE2-OE2 2.75Å; D369-E373 VanDerWaalsContact O-CA 3.24Å; D369-E373 WeakPolarHBondContact O-CA 3.37Å; D369-E373 PolarHBondContact O-N 2.67Å
374	Q	91.4	Very high	94.5	Very high	118 Å²	118	48.1 Å²	48.1	55%	0.551	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.2	-173.5	-76.5	176.1	10.4	0	0	112.1	Y368 D369 L372	Y368-Q374 WeakPolarHBondContact CA-O 3.38Å; D369-Q374 PolarHBondContact N-O 3.3Å; D369-Q374 PolarHBondContact O-N 3.05Å; L372-Q374 VanDerWaalsContact C-N 3.25Å; L372-Q374 HydrophobicContact CB-CB 4.37Å; L372-Q374 HydrophobicContact CB-CG 4.37Å; L372-Q374 WeakPolarHBondContact O-CG 3.34Å; L372-Q374 PolarHBondContact O-N 2.99Å
375	W	95.9	Very high	94.5	Very high	41 Å²	41	43.8 Å²	43.8	16%	0.155	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.5	170.3	-70.8	95.4	0	0	0	110.6	I298 V313 Q328 L329 P330 A347 H366 R367 Y368	I298-W375 HydrophobicContact CD1-CH2 4.11Å; I298-W375 HydrophobicContact CD1-CZ2 4.2Å; I298-W375 HydrophobicContact CG2-CZ2 4.48Å; V313-W375 HydrophobicContact CG2-CZ2 3.88Å; Q328-W375 VanDerWaalsContact O-CD1 3.24Å; Q328-W375 PolarHBondContact O-NE1 3.13Å; Q328-W375 VanDerWaalsContact O-NE1 3.15Å; L329-W375 HydrophobicContact CB-CZ2 4.45Å; L329-W375 HydrophobicContact CD1-CD2 4.16Å; L329-W375 HydrophobicContact CD1-CE3 3.97Å; L329-W375 HydrophobicContact CD1-CH2 3.6Å; L329-W375 HydrophobicContact CD1-CZ2 3.82Å; L329-W375 HydrophobicContact CD1-CZ3 3.68Å; P330-W375 HydrophobicContact CG-CB 3.54Å; P330-W375 HydrophobicContact CG-CG 3.9Å; A347-W375 HydrophobicContact CB-CH2 4.14Å; A347-W375 HydrophobicContact CB-CZ3 3.99Å; H366-W375 HydrophobicContact CB-CE3 3.63Å; H366-W375 HydrophobicContact CB-CZ3 3.85Å; R367-W375 VanDerWaalsContact C-CE3 3.5Å; R367-W375 CarbonylContact O-C 3.43Å; R367-W375 WeakPolarHBondContact O-CA 3.43Å; Y368-W375 AromaticContact CD2-CD1 3.72Å; Y368-W375 AromaticContact CD2-CD2 3.83Å; Y368-W375 HydrophobicContact CD2-CD2 3.83Å; Y368-W375 AromaticContact CD2-CE2 3.52Å; Y368-W375 AromaticContact CD2-CG 3.97Å; Y368-W375 HydrophobicContact CD2-CG 3.97Å; Y368-W375 HydrophobicContact CD2-CZ2 4.07Å; Y368-W375 AromaticContact CD2-NE1 3.42Å; Y368-W375 AromaticContact CE2-NE1 3.91Å; Y368-W375 HydrophobicContact CG-CD2 4.23Å; Y368-W375 AromaticContact CG-CE2 3.93Å; Y368-W375 HydrophobicContact CG-CH2 4.42Å; Y368-W375 HydrophobicContact CG-CZ2 4.04Å
376	T	95.5	Very high	94.4	Very high	53 Å²	53	44 Å²	44	33%	0.325	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145	173.8	47.7	0	0	0	0	108.9	H366 R367	H366-T376 CarbonylContact C-O 3.56Å; H366-T376 WeakPolarHBondContact CA-O 3Å; R367-T376 PolarHBondContact N-O 2.9Å; R367-T376 PolarHBondContact NE-OG1 2.89Å; R367-T376 PolarHBondContact O-N 2.97Å; R367-T376 PolarHBondContact O-OG1 3.24Å
377	E	96.6	Very high	94.3	Very high	109 Å²	109	44.4 Å²	44.4	51%	0.509	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	132.8	173.3	-172.7	158.8	-156	0	0	109.2	R364	R364-E377 IonicContact CZ-OE1 2.76Å; R364-E377 IonicContact CZ-OE2 3.96Å; R364-E377 IonicContact NE-OE1 3.82Å; R364-E377 PolarHBondContact NE-OE1 2.85Å; R364-E377 IonicContact NH2-OE1 3.33Å; R364-E377 PolarHBondContact NH2-OE1 2.82Å; R364-E377 IonicContact NH2-OE2 2.81Å; R364-E377 PolarHBondContact NH2-OE2 2.89Å
378	G	96.8	Very high	94.3	Very high	13 Å²	13	44.3 Å²	44.3	13%	0.134	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	177.4	170.7	0	0	0	0	0	111	L365	L365-G378 PolarHBondContact O-N 3.14Å
379	A	98	Very high	94.4	Very high	20 Å²	20	46 Å²	46	17%	0.165	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-57.5	134.7	178.9	0	0	0	0	0	111.6	Y415 D420 W422	A379-Y415 HydrophobicContact CB-CE2 4.39Å; A379-D420 WeakPolarHBondContact CB-O 3.38Å; A379-D420 WeakPolarHBondContact CB-OD1 3.31Å; A379-D420 PolarHBondContact N-OD1 3.06Å; A379-W422 VanDerWaalsContact O-CD1 3.29Å; A379-W422 PolarHBondContact O-NE1 3.12Å
380	P	98.1	Very high	94.7	Very high	69 Å²	69	45.8 Å²	45.8	45%	0.448	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-72.4	151	-179.7	31.1	-35.6	0	0	0	111	N363 W422	N363-P380 HydrophobicContact CB-CB 4.48Å; N363-P380 CarbonylContact O-C 3.48Å; N363-P380 WeakPolarHBondContact O-CA 3.49Å; N363-P380 WeakPolarHBondContact O-CB 3.48Å; P380-W422 VanDerWaalsContact C-CD1 3.43Å
381	M	98.4	Very high	95.1	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-57.7	152	169.2	-66.5	178.5	-66.1	0	0	110.3	A348 N363 Q383 R385 F388 A399 W422	A348-M381 HydrophobicContact CB-CE 4.38Å; N363-M381 HydrophobicContact CB-CB 4.03Å; N363-M381 WeakPolarHBondContact CB-O 3.4Å; N363-M381 PolarHBondContact ND2-O 2.74Å; N363-M381 PolarHBondContact O-N 2.67Å; M381-Q383 VanDerWaalsContact C-N 3.27Å; M381-Q383 WeakPolarHBondContact CB-O 3.38Å; M381-Q383 PolarHBondContact O-N 3.19Å; M381-R385 HydrophobicContact CE-CB 4.14Å; M381-R385 HydrophobicContact CE-CG 4.32Å; M381-F388 HydrophobicContact CE-CZ 4.16Å; M381-F388 HydrophobicContact SD-CE2 4.37Å; M381-F388 HydrophobicContact SD-CZ 4.47Å; M381-A399 HydrophobicContact SD-CB 3.65Å; M381-W422 HydrophobicContact CB-CD2 4.43Å; M381-W422 HydrophobicContact CG-CD2 3.75Å; M381-W422 VanDerWaalsContact CG-CE2 3.4Å; M381-W422 HydrophobicContact CG-CE3 4.12Å; M381-W422 HydrophobicContact CG-CG 4.38Å; M381-W422 HydrophobicContact CG-CH2 3.83Å; M381-W422 HydrophobicContact CG-CZ2 3.45Å; M381-W422 VanDerWaalsContact CG-CZ2 3.45Å; M381-W422 HydrophobicContact CG-CZ3 4.15Å; M381-W422 HydrophobicContact SD-CH2 4.1Å; M381-W422 HydrophobicContact SD-CZ2 4.19Å
382	K	98.1	Very high	95.7	Very high	111 Å²	111	46.2 Å²	46.2	48%	0.483	23%	0.228	S	C	.	.	S	Bend	trans	-66.5	-32.5	176.4	-62.1	-178.7	179.1	-69.3	0	111.5	E413 W422 Y424	K382-E413 WeakPolarHBondContact CA-OE2 3.36Å; K382-E413 VanDerWaalsContact CB-OE2 3.22Å; K382-E413 WeakPolarHBondContact CB-OE2 3.4Å; K382-E413 WeakPolarHBondContact CG-OE2 3.5Å; K382-E413 PolarHBondContact N-OE2 3.26Å; K382-W422 WeakPolarHBondContact CE-O 3.43Å; K382-W422 HydrophobicContact CG-CB 4.44Å; K382-W422 PolarHBondContact NZ-O 3.16Å; K382-Y424 HydrophobicContact CB-CE1 4.31Å; K382-Y424 HydrophobicContact CB-CE2 4.47Å; K382-Y424 WeakPolarHBondContact CB-OH 3.49Å; K382-Y424 HydrophobicContact CD-CD1 4.5Å; K382-Y424 HydrophobicContact CD-CD2 3.79Å; K382-Y424 HydrophobicContact CD-CE1 4.12Å; K382-Y424 HydrophobicContact CD-CE2 3.37Å; K382-Y424 HydrophobicContact CD-CG 4.35Å
383	Q	97.4	Very high	96.3	Very high	52 Å²	52	44.5 Å²	44.5	24%	0.243	22%	0.22	C	C	.	.	S	Bend	trans	-116.4	145.5	174.6	-64	-175.1	-64.2	0	0	111.8	N363 M381 L409 S411 E413	N363-Q383 WeakPolarHBondContact CB-O 3.46Å; M381-Q383 VanDerWaalsContact C-N 3.27Å; M381-Q383 WeakPolarHBondContact CB-O 3.38Å; M381-Q383 PolarHBondContact O-N 3.19Å; Q383-L409 HydrophobicContact CB-CD1 4.46Å; Q383-S411 PolarHBondContact OE1-OG 2.82Å; Q383-E413 PolarHBondContact N-OE1 2.82Å; Q383-E413 VanDerWaalsContact N-OE1 3.14Å
384	R	96.9	Very high	96.5	Very high	139 Å²	139	43.1 Å²	43.1	53%	0.525	23%	0.232	S	C	.	.			trans	-68.2	138.6	167.9	-66	168.8	-176.7	-89.4	-1.8	108.8	A361 C362 N363 N404	A361-R384 HydrophobicContact CB-CB 4.02Å; A361-R384 WeakPolarHBondContact O-CB 3.47Å; A361-R384 WeakPolarHBondContact O-CD 3.39Å; A361-R384 PolarHBondContact O-NH1 2.97Å; C362-R384 WeakPolarHBondContact O-CA 3.13Å; N363-R384 HydrophobicContact CB-CG 4.08Å; R384-N404 HydrophobicContact CB-CB 4.17Å; R384-N404 WeakPolarHBondContact O-CB 3.31Å; R384-N404 PolarHBondContact O-ND2 2.92Å; R384-N404 VanDerWaalsContact O-ND2 3.11Å
385	R	96.5	Very high	96.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-144.3	133.4	-175.5	-59.1	179.9	-174.3	-95.5	-3.9	111.4	G350 C362 M381 F388 G401 L409 S411 E413	G350-R385 PolarHBondContact N-O 3.29Å; C362-R385 PolarHBondContact O-N 2.72Å; M381-R385 HydrophobicContact CE-CB 4.14Å; M381-R385 HydrophobicContact CE-CG 4.32Å; R385-F388 HydrophobicContact CB-CB 4.32Å; R385-F388 HydrophobicContact CB-CD1 3.66Å; R385-F388 HydrophobicContact CB-CD2 4.48Å; R385-F388 HydrophobicContact CB-CE1 4.01Å; R385-F388 HydrophobicContact CB-CG 3.93Å; R385-G401 PolarHBondContact NH1-O 2.87Å; R385-L409 HydrophobicContact CG-CD1 3.86Å; R385-S411 PolarHBondContact NH1-O 3.46Å; R385-S411 PolarHBondContact NH1-OG 3.1Å; R385-S411 PolarHBondContact NH2-OG 2.84Å; R385-E413 IonicContact CZ-OE1 3.9Å; R385-E413 IonicContact NE-OE1 3.05Å; R385-E413 PolarHBondContact NE-OE1 3.12Å; R385-E413 IonicContact NH2-OE1 2.75Å; R385-E413 PolarHBondContact NH2-OE1 3.24Å
386	V	95.7	Very high	96.7	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.024	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-129.9	158.6	162	67.9	0	0	0	0	108.3	H335 A361 F388 G402 R403	H335-V386 HydrophobicContact CB-CG2 3.35Å; A361-V386 HydrophobicContact CB-CB 4.2Å; A361-V386 HydrophobicContact CB-CG1 4.1Å; V386-F388 VanDerWaalsContact C-N 3.26Å; V386-F388 PolarHBondContact O-N 2.8Å; V386-G402 CarbonylContact O-C 3.57Å; V386-G402 VanDerWaalsContact O-CA 3.25Å; V386-G402 WeakPolarHBondContact O-CA 3.41Å; V386-R403 HydrophobicContact CG1-CG 3.68Å; V386-R403 PolarHBondContact N-O 3.19Å; V386-R403 PolarHBondContact O-N 2.96Å
387	D	95.1	Very high	96.8	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.07	22%	0.219	C	C	.	.	S	Bend	trans	56.5	38.3	177.8	-52.3	-44.3	0	0	0	113.7	H335 R403 Y433 G434	H335-D387 WeakPolarHBondContact CB-OD1 3.37Å; H335-D387 IonicContact CD2-OD1 3.16Å; H335-D387 PolarHBondContact CD2-OD1 2.85Å; H335-D387 IonicContact CG-OD1 2.71Å; H335-D387 IonicContact NE2-OD1 2.68Å; D387-R403 IonicContact OD2-CZ 3.28Å; D387-R403 IonicContact OD2-NE 2.72Å; D387-R403 PolarHBondContact OD2-NE 3.4Å; D387-R403 IonicContact OD2-NH2 3.73Å; D387-R403 PolarHBondContact OD2-NH2 3.48Å; D387-Y433 HydrophobicContact CB-CD2 4.1Å; D387-Y433 WeakPolarHBondContact O-CA 3.29Å; D387-G434 PolarHBondContact O-N 2.95Å
388	F	97.5	Very high	96.9	Very high	10 Å²	10	35.1 Å²	35.1	4%	0.044	20%	0.195	C	C	.	.			trans	-108.4	-178.8	-178.9	74	-76.6	0	0	0	110.7	C337 A348 M381 R385 V386 L390 A399 V400 G401	C337-F388 HydrophobicContact CB-CE1 4.39Å; C337-F388 HydrophobicContact CB-CE2 4.19Å; C337-F388 HydrophobicContact CB-CZ 3.97Å; C337-F388 PolarHBondContact SG-O 2.78Å; A348-F388 HydrophobicContact CB-CZ 3.97Å; A348-F388 WeakPolarHBondContact O-CE1 3.49Å; A348-F388 VanDerWaalsContact O-CZ 3.26Å; A348-F388 WeakPolarHBondContact O-CZ 3.19Å; M381-F388 HydrophobicContact CE-CZ 4.16Å; M381-F388 HydrophobicContact SD-CE2 4.37Å; M381-F388 HydrophobicContact SD-CZ 4.47Å; R385-F388 HydrophobicContact CB-CB 4.32Å; R385-F388 HydrophobicContact CB-CD1 3.66Å; R385-F388 HydrophobicContact CB-CD2 4.48Å; R385-F388 HydrophobicContact CB-CE1 4.01Å; R385-F388 HydrophobicContact CB-CG 3.93Å; V386-F388 VanDerWaalsContact C-N 3.26Å; V386-F388 PolarHBondContact O-N 2.8Å; F388-L390 HydrophobicContact CE2-CB 4.01Å; F388-L390 HydrophobicContact CE2-CD1 4.3Å; F388-A399 HydrophobicContact CD2-CB 4.06Å; F388-A399 HydrophobicContact CE2-CB 3.88Å; F388-V400 WeakPolarHBondContact CB-O 3.23Å; F388-G401 WeakPolarHBondContact CB-O 3.22Å
389	Y	98.3	Very high	97	Very high	38 Å²	38	34.5 Å²	34.5	15%	0.149	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.3	169.9	179	-117.5	0	0	0	111.1	A391 A399 V400 G437 A438 V439 I444 I446	Y389-A391 HydrophobicContact CD1-CB 4.41Å; Y389-A391 HydrophobicContact CE1-CB 3.69Å; Y389-A399 WeakPolarHBondContact O-CA 3.41Å; Y389-V400 PolarHBondContact N-O 2.98Å; Y389-V400 VanDerWaalsContact N-O 3.12Å; Y389-V400 PolarHBondContact O-N 2.92Å; Y389-G437 WeakPolarHBondContact CE2-O 3.26Å; Y389-G437 VanDerWaalsContact CZ-O 3.3Å; Y389-G437 PolarHBondContact OH-O 3.25Å; Y389-A438 VanDerWaalsContact OH-CA 3.23Å; Y389-A438 WeakPolarHBondContact OH-CA 3.41Å; Y389-A438 PolarHBondContact OH-N 2.93Å; Y389-V439 PolarHBondContact OH-N 2.79Å; Y389-I444 HydrophobicContact CD1-CG2 4.26Å; Y389-I444 HydrophobicContact CE1-CG2 3.95Å; Y389-I446 HydrophobicContact CD1-CG2 4.03Å
390	L	98.5	Very high	97	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.4	172.9	-172.8	72.9	0	0	0	109.7	C337 A339 A348 F388 L397 I398 A399 W422	C337-L390 HydrophobicContact CB-CB 3.34Å; C337-L390 HydrophobicContact CB-CD2 4.33Å; C337-L390 HydrophobicContact CB-CG 4.48Å; A339-L390 HydrophobicContact CB-CD2 3.57Å; A339-L390 HydrophobicContact CB-CG 3.8Å; A348-L390 HydrophobicContact CB-CD1 4.27Å; A348-L390 HydrophobicContact CB-CD2 3.77Å; F388-L390 HydrophobicContact CE2-CB 4.01Å; F388-L390 HydrophobicContact CE2-CD1 4.3Å; L390-L397 HydrophobicContact CD1-CB 4.17Å; L390-I398 WeakPolarHBondContact CA-O 3.41Å; L390-A399 HydrophobicContact CD1-CB 4.15Å; L390-W422 HydrophobicContact CD1-CH2 4.04Å
391	A	97.7	Very high	97	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	147.6	175.5	0	0	0	0	0	111	Y389 V393 L397 I398 V439 I444	Y389-A391 HydrophobicContact CD1-CB 4.41Å; Y389-A391 HydrophobicContact CE1-CB 3.69Å; A391-V393 HydrophobicContact CB-CG2 4.06Å; A391-L397 CarbonylContact O-C 3.57Å; A391-L397 VanDerWaalsContact O-CA 3.24Å; A391-L397 WeakPolarHBondContact O-CA 3.18Å; A391-I398 HydrophobicContact CB-CB 4.33Å; A391-I398 PolarHBondContact N-O 2.95Å; A391-I398 PolarHBondContact O-N 3.13Å; A391-V439 HydrophobicContact CB-CG2 3.67Å; A391-I444 HydrophobicContact CB-CD1 3.87Å; A391-I444 HydrophobicContact CB-CG1 3.99Å
392	A	97.4	Very high	96.9	Very high	27 Å²	27	30.1 Å²	30.1	22%	0.223	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.9	159.4	0	0	0	0	0	108.1	A339 V340 L341 L397	A339-A392 HydrophobicContact CB-CB 4.15Å; V340-A392 WeakPolarHBondContact O-CB 3.46Å; L341-A392 HydrophobicContact CB-CB 4.32Å; A392-L397 HydrophobicContact CB-CD2 3.91Å
393	V	95.2	Very high	96.7	Very high	15 Å²	15	26.1 Å²	26.1	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	125.6	-179.3	-173.2	0	0	0	0	109.2	A391 E395 S396 I398 V439 G442 I444 L466	A391-V393 HydrophobicContact CB-CG2 4.06Å; V393-E395 PolarHBondContact O-N 3.07Å; V393-S396 PolarHBondContact N-O 3.04Å; V393-S396 PolarHBondContact O-N 3.21Å; V393-S396 VanDerWaalsContact O-N 3.15Å; V393-I398 HydrophobicContact CB-CD1 4.14Å; V393-I398 HydrophobicContact CG2-CD1 4.32Å; V393-V439 HydrophobicContact CG2-CB 4.4Å; V393-V439 HydrophobicContact CG2-CG1 3.86Å; V393-V439 HydrophobicContact CG2-CG2 3.59Å; V393-G442 VanDerWaalsContact CG1-O 3.23Å; V393-G442 WeakPolarHBondContact CG1-O 3.33Å; V393-I444 HydrophobicContact CG2-CD1 4.05Å; V393-I444 HydrophobicContact CG2-CG1 3.69Å; V393-L466 HydrophobicContact CB-CD1 4.04Å; V393-L466 HydrophobicContact CG1-CD1 3.74Å
394	G	92.6	Very high	96.6	Very high	68 Å²	68	24.6 Å²	24.6	70%	0.701	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	-123.1	-173.9	0	0	0	0	0	110.7	L341	L341-G394 WeakPolarHBondContact CD1-O 3.46Å
395	E	94.3	Very high	96.3	Very high	130 Å²	130	21.3 Å²	21.3	61%	0.607	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	16.7	-178	-60.5	-168.5	163.4	0	0	113.7	L280 V393 P417	L280-E395 HydrophobicContact CD1-CB 4.22Å; L280-E395 HydrophobicContact CD2-CB 3.58Å; L280-E395 HydrophobicContact CD2-CG 3.9Å; V393-E395 PolarHBondContact O-N 3.07Å; E395-P417 WeakPolarHBondContact O-CD 3.38Å
396	S	95.8	Very high	96	Very high	22 Å²	22	26.1 Å²	26.1	15%	0.154	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.8	-173	-64.8	0	0	0	0	113.3	V393 Y415	V393-S396 PolarHBondContact N-O 3.04Å; V393-S396 PolarHBondContact O-N 3.21Å; V393-S396 VanDerWaalsContact O-N 3.15Å; S396-Y415 VanDerWaalsContact CA-O 3.31Å; S396-Y415 WeakPolarHBondContact CA-O 3.48Å; S396-Y415 WeakPolarHBondContact CB-O 3.18Å
397	L	98.4	Very high	95.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	142.5	164.3	-48	172.1	0	0	0	109.3	A339 L341 Y346 L365 L390 A391 A392 F414 Y415 W422	A339-L397 HydrophobicContact CB-CD2 3.96Å; L341-L397 HydrophobicContact CB-CD2 3.93Å; L341-L397 HydrophobicContact CD2-CD2 3.94Å; L341-L397 HydrophobicContact CD2-CG 4.3Å; Y346-L397 HydrophobicContact CD1-CD1 3.45Å; Y346-L397 VanDerWaalsContact CD1-CD1 3.45Å; Y346-L397 HydrophobicContact CD2-CD1 3.86Å; Y346-L397 HydrophobicContact CD2-CD2 4.25Å; Y346-L397 HydrophobicContact CE1-CD1 3.91Å; Y346-L397 HydrophobicContact CE2-CD1 4.32Å; Y346-L397 HydrophobicContact CG-CD1 3.38Å; Y346-L397 HydrophobicContact CG-CD2 4.48Å; L365-L397 HydrophobicContact CD1-CD1 4.44Å; L390-L397 HydrophobicContact CD1-CB 4.17Å; A391-L397 CarbonylContact O-C 3.57Å; A391-L397 VanDerWaalsContact O-CA 3.24Å; A391-L397 WeakPolarHBondContact O-CA 3.18Å; A392-L397 HydrophobicContact CB-CD2 3.91Å; L397-F414 CarbonylContact O-C 3.56Å; L397-F414 WeakPolarHBondContact O-CA 3.46Å; L397-Y415 HydrophobicContact CB-CD1 4.4Å; L397-Y415 HydrophobicContact CD1-CD1 3.7Å; L397-Y415 HydrophobicContact CD1-CE1 4.33Å; L397-Y415 HydrophobicContact CD1-CG 4.45Å; L397-Y415 HydrophobicContact CG-CD1 4Å; L397-Y415 PolarHBondContact N-O 3.45Å; L397-Y415 VanDerWaalsContact N-O 3.13Å; L397-Y415 PolarHBondContact O-N 2.99Å; L397-W422 HydrophobicContact CB-CH2 4.4Å
398	I	98.3	Very high	95.9	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	111.9	-173	-56.3	167.6	0	0	0	108.6	L390 A391 V393 V400 V412 E413 F414 I444 L466	L390-I398 WeakPolarHBondContact CA-O 3.41Å; A391-I398 HydrophobicContact CB-CB 4.33Å; A391-I398 PolarHBondContact N-O 2.95Å; A391-I398 PolarHBondContact O-N 3.13Å; V393-I398 HydrophobicContact CB-CD1 4.14Å; V393-I398 HydrophobicContact CG2-CD1 4.32Å; I398-V400 HydrophobicContact CG2-CG2 3.93Å; I398-V412 HydrophobicContact CG2-CG1 3.56Å; I398-E413 CarbonylContact C-O 3.53Å; I398-E413 VanDerWaalsContact CA-O 3.29Å; I398-E413 WeakPolarHBondContact CA-O 3.19Å; I398-F414 HydrophobicContact CD1-CD1 3.79Å; I398-F414 HydrophobicContact CD1-CE1 3.34Å; I398-F414 HydrophobicContact CD1-CZ 3.9Å; I398-F414 HydrophobicContact CG1-CD1 3.6Å; I398-F414 HydrophobicContact CG1-CE1 3.64Å; I398-F414 HydrophobicContact CG1-CG 4.11Å; I398-F414 HydrophobicContact CG1-CZ 4.15Å; I398-F414 HydrophobicContact CG2-CD2 4.3Å; I398-F414 HydrophobicContact CG2-CE1 4.37Å; I398-F414 HydrophobicContact CG2-CE2 3.96Å; I398-F414 HydrophobicContact CG2-CZ 4.01Å; I398-I444 HydrophobicContact CB-CD1 4.01Å; I398-I444 HydrophobicContact CD1-CD1 3.61Å; I398-I444 HydrophobicContact CG1-CD1 4.4Å; I398-I444 HydrophobicContact CG2-CD1 3.9Å; I398-L466 HydrophobicContact CD1-CD1 3.53Å
399	A	98.6	Very high	95.8	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.3	177.4	0	0	0	0	0	109.3	M381 F388 Y389 L390 V412 E413 W422	M381-A399 HydrophobicContact SD-CB 3.65Å; F388-A399 HydrophobicContact CD2-CB 4.06Å; F388-A399 HydrophobicContact CE2-CB 3.88Å; Y389-A399 WeakPolarHBondContact O-CA 3.41Å; L390-A399 HydrophobicContact CD1-CB 4.15Å; A399-V412 VanDerWaalsContact O-CA 3.31Å; A399-V412 WeakPolarHBondContact O-CA 3.45Å; A399-E413 PolarHBondContact N-O 2.77Å; A399-E413 PolarHBondContact O-N 2.89Å; A399-W422 HydrophobicContact CB-CH2 4.04Å; A399-W422 HydrophobicContact CB-CZ3 3.78Å
400	V	98.4	Very high	95.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.6	-171.8	-177	0	0	0	0	109.8	F388 Y389 I398 V412 L428 H435 I446 W473	F388-V400 WeakPolarHBondContact CB-O 3.23Å; Y389-V400 PolarHBondContact N-O 2.98Å; Y389-V400 VanDerWaalsContact N-O 3.12Å; Y389-V400 PolarHBondContact O-N 2.92Å; I398-V400 HydrophobicContact CG2-CG2 3.93Å; V400-V412 HydrophobicContact CG1-CG2 4.2Å; V400-V412 HydrophobicContact CG2-CG1 4.11Å; V400-L428 HydrophobicContact CG1-CD1 3.99Å; V400-L428 HydrophobicContact CG1-CD2 3.95Å; V400-L428 HydrophobicContact CG1-CG 4.2Å; V400-H435 PolarHBondContact O-CE1 2.91Å; V400-H435 PolarHBondContact O-NE2 3.05Å; V400-I446 HydrophobicContact CG1-CD1 4Å; V400-I446 HydrophobicContact CG1-CG2 4.18Å; V400-W473 HydrophobicContact CB-CH2 4.48Å; V400-W473 HydrophobicContact CG1-CH2 3.63Å; V400-W473 HydrophobicContact CG1-CZ2 3.65Å; V400-W473 HydrophobicContact CG2-CH2 3.97Å; V400-W473 HydrophobicContact CG2-CZ2 3.99Å
401	G	97.5	Very high	95.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	20%	0.201	C	C	.	.			trans	61	-142	173.6	0	0	0	0	0	114.3	R385 F388 L409 S411	R385-G401 PolarHBondContact NH1-O 2.87Å; F388-G401 WeakPolarHBondContact CB-O 3.22Å; G401-L409 WeakPolarHBondContact CA-O 3.12Å; G401-S411 PolarHBondContact N-O 3.36Å
402	G	96.3	Very high	95.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	20%	0.201	C	C	.	.			trans	96.7	-169.1	-172.3	0	0	0	0	0	112.8	V386 L409 T432 Y433	V386-G402 CarbonylContact O-C 3.57Å; V386-G402 VanDerWaalsContact O-CA 3.25Å; V386-G402 WeakPolarHBondContact O-CA 3.41Å; G402-L409 WeakPolarHBondContact O-CB 3.27Å; G402-L409 PolarHBondContact O-N 3.03Å; G402-T432 PolarHBondContact N-O 2.99Å; G402-Y433 VanDerWaalsContact C-CB 3.42Å
403	R	94.4	Very high	95.8	Very high	27 Å²	27	27 Å²	27	10%	0.102	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	163.5	175.6	61.7	175.6	172.4	157.1	10.2	112.1	N356 V386 D387 G407 Y433	N356-R403 PolarHBondContact O-NH1 3.22Å; N356-R403 PolarHBondContact O-NH2 3.19Å; V386-R403 HydrophobicContact CG1-CG 3.68Å; V386-R403 PolarHBondContact N-O 3.19Å; V386-R403 PolarHBondContact O-N 2.96Å; D387-R403 IonicContact OD2-CZ 3.28Å; D387-R403 IonicContact OD2-NE 2.72Å; D387-R403 PolarHBondContact OD2-NE 3.4Å; D387-R403 IonicContact OD2-NH2 3.73Å; D387-R403 PolarHBondContact OD2-NH2 3.48Å; R403-G407 WeakPolarHBondContact CA-O 3.34Å; R403-G407 WeakPolarHBondContact CB-O 3.41Å; R403-Y433 HydrophobicContact CB-CD1 4.23Å; R403-Y433 HydrophobicContact CB-CD2 4.47Å; R403-Y433 HydrophobicContact CB-CG 3.96Å; R403-Y433 VanDerWaalsContact CD-CD2 3.42Å; R403-Y433 HydrophobicContact CG-CD2 3.97Å; R403-Y433 HydrophobicContact CG-CG 3.95Å
404	N	94.4	Very high	95.9	Very high	19 Å²	19	27.1 Å²	27.1	10%	0.102	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-166	167.6	63.1	36.3	0	0	0	110.2	G358 A361 R384 S406 G407	G358-N404 CarbonylContact O-C 3.22Å; G358-N404 VanDerWaalsContact O-C 3.22Å; G358-N404 VanDerWaalsContact O-CA 3.25Å; G358-N404 WeakPolarHBondContact O-CA 3.26Å; A361-N404 HydrophobicContact CB-CB 4.04Å; R384-N404 HydrophobicContact CB-CB 4.17Å; R384-N404 WeakPolarHBondContact O-CB 3.31Å; R384-N404 PolarHBondContact O-ND2 2.92Å; R384-N404 VanDerWaalsContact O-ND2 3.11Å; N404-S406 PolarHBondContact O-N 2.87Å; N404-S406 WeakPolarHBondContact OD1-CB 3.18Å; N404-S406 PolarHBondContact OD1-N 3.36Å; N404-S406 PolarHBondContact OD1-OG 2.96Å; N404-G407 PolarHBondContact N-O 3.33Å; N404-G407 PolarHBondContact O-N 3.12Å
405	A	91.6	Very high	96.2	Very high	71 Å²	71	24 Å²	24	59%	0.587	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-26.1	179.1	0	0	0	0	0	114.4	G358 D359	G358-A405 PolarHBondContact O-N 2.87Å; D359-A405 VanDerWaalsContact OD1-CA 3.31Å; D359-A405 WeakPolarHBondContact OD1-CA 3.16Å; D359-A405 VanDerWaalsContact OD1-CB 3.27Å; D359-A405 WeakPolarHBondContact OD1-CB 3.47Å
406	S	90.9	Very high	96.4	Very high	101 Å²	101	22.6 Å²	22.6	71%	0.706	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.2	178	66.3	0	0	0	0	114.3	N404	N404-S406 PolarHBondContact O-N 2.87Å; N404-S406 WeakPolarHBondContact OD1-CB 3.18Å; N404-S406 PolarHBondContact OD1-N 3.36Å; N404-S406 PolarHBondContact OD1-OG 2.96Å
407	G	92.3	Very high	96.4	Very high	32 Å²	32	21.5 Å²	21.5	33%	0.33	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	106.9	-156	-178.6	0	0	0	0	0	113.4	R403 N404	R403-G407 WeakPolarHBondContact CA-O 3.34Å; R403-G407 WeakPolarHBondContact CB-O 3.41Å; N404-G407 PolarHBondContact N-O 3.33Å; N404-G407 PolarHBondContact O-N 3.12Å
408	A	94.7	Very high	96.3	Very high	24 Å²	24	23.9 Å²	23.9	20%	0.198	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	147.2	-178.4	0	0	0	0	0	112.2	P431 Y433 D451	A408-P431 HydrophobicContact CB-CB 3.69Å; A408-Y433 HydrophobicContact CB-CD1 3.84Å; A408-Y433 HydrophobicContact CB-CE1 4.41Å; A408-D451 VanDerWaalsContact CB-O 3.26Å; A408-D451 WeakPolarHBondContact CB-O 3.46Å
409	L	96.6	Very high	96.2	Very high	9 Å²	9	28.4 Å²	28.4	5%	0.047	18%	0.179	C	C	.	.			trans	-112	134	-176.6	-59.7	173.7	0	0	0	111	Q383 R385 G401 G402 P431 T432	Q383-L409 HydrophobicContact CB-CD1 4.46Å; R385-L409 HydrophobicContact CG-CD1 3.86Å; G401-L409 WeakPolarHBondContact CA-O 3.12Å; G402-L409 WeakPolarHBondContact O-CB 3.27Å; G402-L409 PolarHBondContact O-N 3.03Å; L409-P431 WeakPolarHBondContact O-CA 3.4Å; L409-T432 PolarHBondContact O-N 3.3Å
410	A	97	Very high	96.2	Very high	28 Å²	28	31.2 Å²	31.2	23%	0.231	19%	0.194	C	C	.	.			trans	-94.4	-13.5	167.4	0	0	0	0	0	112.4	P427 L428 P431	A410-P427 CarbonylContact O-C 3.51Å; A410-P427 WeakPolarHBondContact O-CA 3.45Å; A410-L428 HydrophobicContact CB-CB 4.34Å; A410-L428 PolarHBondContact O-N 2.72Å; A410-P431 HydrophobicContact CB-CB 4.35Å; A410-P431 HydrophobicContact CB-CG 4.07Å
411	S	97.9	Very high	96.2	Very high	20 Å²	20	37.8 Å²	37.8	14%	0.14	22%	0.219	C	C	.	.			trans	-67.9	144.6	-174.4	53.9	0	0	0	0	112	Q383 R385 G401	Q383-S411 PolarHBondContact OE1-OG 2.82Å; R385-S411 PolarHBondContact NH1-O 3.46Å; R385-S411 PolarHBondContact NH1-OG 3.1Å; R385-S411 PolarHBondContact NH2-OG 2.84Å; G401-S411 PolarHBondContact N-O 3.36Å
412	V	98.3	Very high	96.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.6	172.4	-178.6	0	0	0	0	107.9	I398 A399 V400 F414 G425 P426 L428 W473	I398-V412 HydrophobicContact CG2-CG1 3.56Å; A399-V412 VanDerWaalsContact O-CA 3.31Å; A399-V412 WeakPolarHBondContact O-CA 3.45Å; V400-V412 HydrophobicContact CG1-CG2 4.2Å; V400-V412 HydrophobicContact CG2-CG1 4.11Å; V412-F414 HydrophobicContact CG1-CD2 4.3Å; V412-F414 HydrophobicContact CG1-CE2 3.76Å; V412-G425 PolarHBondContact O-N 3Å; V412-P426 WeakPolarHBondContact CB-O 3.42Å; V412-P426 VanDerWaalsContact CG2-O 3.24Å; V412-P426 WeakPolarHBondContact CG2-O 3.34Å; V412-L428 HydrophobicContact CG2-CG 4.2Å; V412-W473 HydrophobicContact CG2-CZ2 3.91Å
413	E	98.4	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.2	-179.3	-65.4	-179.1	-119.8	0	0	111.2	K382 Q383 R385 I398 A399 W422 A423 Y424	K382-E413 WeakPolarHBondContact CA-OE2 3.36Å; K382-E413 VanDerWaalsContact CB-OE2 3.22Å; K382-E413 WeakPolarHBondContact CB-OE2 3.4Å; K382-E413 WeakPolarHBondContact CG-OE2 3.5Å; K382-E413 PolarHBondContact N-OE2 3.26Å; Q383-E413 PolarHBondContact N-OE1 2.82Å; Q383-E413 VanDerWaalsContact N-OE1 3.14Å; R385-E413 IonicContact CZ-OE1 3.9Å; R385-E413 IonicContact NE-OE1 3.05Å; R385-E413 PolarHBondContact NE-OE1 3.12Å; R385-E413 IonicContact NH2-OE1 2.75Å; R385-E413 PolarHBondContact NH2-OE1 3.24Å; I398-E413 CarbonylContact C-O 3.53Å; I398-E413 VanDerWaalsContact CA-O 3.29Å; I398-E413 WeakPolarHBondContact CA-O 3.19Å; A399-E413 PolarHBondContact N-O 2.77Å; A399-E413 PolarHBondContact O-N 2.89Å; E413-W422 HydrophobicContact CB-CE3 3.57Å; E413-W422 HydrophobicContact CB-CZ3 4.09Å; E413-W422 WeakPolarHBondContact O-CZ3 3.44Å; E413-A423 CarbonylContact C-O 3.46Å; E413-A423 VanDerWaalsContact CA-O 3.31Å; E413-A423 WeakPolarHBondContact CA-O 3.49Å; E413-Y424 HydrophobicContact CG-CD1 3.69Å; E413-Y424 HydrophobicContact CG-CE1 3.75Å
414	F	97.9	Very high	96.4	Very high	17 Å²	17	44.1 Å²	44.1	8%	0.075	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.9	-179.8	-74	-114.8	0	0	0	109	L397 I398 V412 W422 A423 L464 L466	L397-F414 CarbonylContact O-C 3.56Å; L397-F414 WeakPolarHBondContact O-CA 3.46Å; I398-F414 HydrophobicContact CD1-CD1 3.79Å; I398-F414 HydrophobicContact CD1-CE1 3.34Å; I398-F414 HydrophobicContact CD1-CZ 3.9Å; I398-F414 HydrophobicContact CG1-CD1 3.6Å; I398-F414 HydrophobicContact CG1-CE1 3.64Å; I398-F414 HydrophobicContact CG1-CG 4.11Å; I398-F414 HydrophobicContact CG1-CZ 4.15Å; I398-F414 HydrophobicContact CG2-CD2 4.3Å; I398-F414 HydrophobicContact CG2-CE1 4.37Å; I398-F414 HydrophobicContact CG2-CE2 3.96Å; I398-F414 HydrophobicContact CG2-CZ 4.01Å; V412-F414 HydrophobicContact CG1-CD2 4.3Å; V412-F414 HydrophobicContact CG1-CE2 3.76Å; F414-W422 CarbonylContact O-C 3.59Å; F414-W422 VanDerWaalsContact O-CA 3.28Å; F414-W422 WeakPolarHBondContact O-CA 3.42Å; F414-A423 PolarHBondContact N-O 2.8Å; F414-A423 PolarHBondContact O-N 2.65Å; F414-L464 HydrophobicContact CZ-CD2 4.28Å; F414-L466 HydrophobicContact CE1-CD1 4.17Å; F414-L466 HydrophobicContact CE1-CD2 3.88Å; F414-L466 HydrophobicContact CZ-CD2 3.92Å
415	Y	98.6	Very high	96.4	Very high	3 Å²	3	44.2 Å²	44.2	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.8	171.1	179.9	-110.6	0	0	0	109.9	Y346 L365 A379 S396 L397 P417 D420 R421 W422	Y346-Y415 HydrophobicContact CE1-CE1 4.01Å; L365-Y415 HydrophobicContact CD2-CD1 4.13Å; L365-Y415 HydrophobicContact CD2-CD2 3.95Å; L365-Y415 HydrophobicContact CD2-CE1 3.93Å; L365-Y415 HydrophobicContact CD2-CE2 3.74Å; L365-Y415 HydrophobicContact CD2-CG 4.14Å; A379-Y415 HydrophobicContact CB-CE2 4.39Å; S396-Y415 VanDerWaalsContact CA-O 3.31Å; S396-Y415 WeakPolarHBondContact CA-O 3.48Å; S396-Y415 WeakPolarHBondContact CB-O 3.18Å; L397-Y415 HydrophobicContact CB-CD1 4.4Å; L397-Y415 HydrophobicContact CD1-CD1 3.7Å; L397-Y415 HydrophobicContact CD1-CE1 4.33Å; L397-Y415 HydrophobicContact CD1-CG 4.45Å; L397-Y415 HydrophobicContact CG-CD1 4Å; L397-Y415 PolarHBondContact N-O 3.45Å; L397-Y415 VanDerWaalsContact N-O 3.13Å; L397-Y415 PolarHBondContact O-N 2.99Å; Y415-P417 HydrophobicContact CD1-CG 4.01Å; Y415-P417 HydrophobicContact CE1-CB 3.99Å; Y415-P417 HydrophobicContact CE1-CG 3.86Å; Y415-P417 WeakPolarHBondContact O-CD 3.24Å; Y415-D420 WeakPolarHBondContact CE2-OD1 3.05Å; Y415-D420 PolarHBondContact OH-OD1 3.49Å; Y415-R421 WeakPolarHBondContact CA-O 3.08Å; Y415-W422 AromaticContact CD2-CD1 3.74Å; Y415-W422 HydrophobicContact CD2-CD2 4.09Å; Y415-W422 AromaticContact CD2-CE2 3.71Å; Y415-W422 HydrophobicContact CD2-CG 4.15Å; Y415-W422 HydrophobicContact CD2-CZ2 4.28Å; Y415-W422 AromaticContact CD2-NE1 3.45Å; Y415-W422 HydrophobicContact CG-CD2 4.3Å; Y415-W422 AromaticContact CG-CE2 3.93Å; Y415-W422 HydrophobicContact CG-CZ2 4.09Å; Y415-W422 VanDerWaalsContact N-CE3 3.31Å
416	R	97.3	Very high	96.6	Very high	100 Å²	100	41.8 Å²	41.8	38%	0.377	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	107.1	172.4	-64.1	-168.8	-177.6	95.8	5.5	109.3	A418 E419 D420 R421	R416-A418 PolarHBondContact O-N 3.46Å; R416-E419 HydrophobicContact CB-CB 4.36Å; R416-E419 PolarHBondContact O-N 2.94Å; R416-E419 VanDerWaalsContact O-N 3.11Å; R416-D420 PolarHBondContact O-N 3.22Å; R416-R421 PolarHBondContact N-O 2.72Å; R416-R421 PolarHBondContact O-N 2.97Å
417	P	97.3	Very high	96.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-32.3	-179.4	-19.8	30.2	0	0	0	112.9	S276 A277 P279 L280 L341 E395 Y415 E419 D420	S276-P417 CarbonylContact C-O 3.59Å; S276-P417 WeakPolarHBondContact CB-O 3.32Å; S276-P417 CarbonylContact O-C 3.57Å; S276-P417 WeakPolarHBondContact O-CB 3.28Å; S276-P417 PolarHBondContact OG-O 3.4Å; A277-P417 PolarHBondContact N-O 3.27Å; P279-P417 HydrophobicContact CG-CB 4.44Å; L280-P417 HydrophobicContact CD1-CB 4.22Å; L280-P417 HydrophobicContact CD1-CG 4.4Å; L280-P417 HydrophobicContact CD2-CG 4.38Å; L280-P417 HydrophobicContact CG-CB 4.27Å; L280-P417 HydrophobicContact CG-CG 4.42Å; L341-P417 HydrophobicContact CD2-CG 3.68Å; E395-P417 WeakPolarHBondContact O-CD 3.38Å; Y415-P417 HydrophobicContact CD1-CG 4.01Å; Y415-P417 HydrophobicContact CE1-CB 3.99Å; Y415-P417 HydrophobicContact CE1-CG 3.86Å; Y415-P417 WeakPolarHBondContact O-CD 3.24Å; P417-E419 PolarHBondContact O-N 3.34Å; P417-D420 PolarHBondContact O-N 3.41Å
418	A	95.9	Very high	97.1	Very high	49 Å²	49	39.9 Å²	39.9	41%	0.405	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-31.8	177	0	0	0	0	0	114	L280 R416	L280-A418 HydrophobicContact CD1-CB 3.98Å; R416-A418 PolarHBondContact O-N 3.46Å
419	E	96.4	Very high	97.1	Very high	96 Å²	96	42.9 Å²	42.9	45%	0.449	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-9.1	-176.9	-63.7	174.7	-158.7	0	0	112.9	R416 P417 R421	R416-E419 HydrophobicContact CB-CB 4.36Å; R416-E419 PolarHBondContact O-N 2.94Å; R416-E419 VanDerWaalsContact O-N 3.11Å; P417-E419 PolarHBondContact O-N 3.34Å; E419-R421 VanDerWaalsContact C-N 3.33Å; E419-R421 HydrophobicContact CB-CB 4.11Å; E419-R421 PolarHBondContact O-N 3.15Å; E419-R421 IonicContact OE2-CZ 3.98Å; E419-R421 VanDerWaalsContact OE2-CZ 3.28Å; E419-R421 IonicContact OE2-NE 3.14Å; E419-R421 PolarHBondContact OE2-NE 3.15Å; E419-R421 VanDerWaalsContact OE2-NE 3.16Å; E419-R421 IonicContact OE2-NH2 3.42Å; E419-R421 PolarHBondContact OE2-NH2 3.26Å
420	D	97.7	Very high	96.9	Very high	59 Å²	59	49.6 Å²	49.6	32%	0.316	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	54.5	-167.9	-169.2	23.1	0	0	0	112	A379 Y415 R416 P417	A379-D420 WeakPolarHBondContact CB-O 3.38Å; A379-D420 WeakPolarHBondContact CB-OD1 3.31Å; A379-D420 PolarHBondContact N-OD1 3.06Å; Y415-D420 WeakPolarHBondContact CE2-OD1 3.05Å; Y415-D420 PolarHBondContact OH-OD1 3.49Å; R416-D420 PolarHBondContact O-N 3.22Å; P417-D420 PolarHBondContact O-N 3.41Å
421	R	98.1	Very high	96.8	Very high	137 Å²	137	50.9 Å²	50.9	52%	0.517	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	141.9	-172.5	-171.7	172.9	64.4	168.4	1.4	113.2	Y415 R416 E419	Y415-R421 WeakPolarHBondContact CA-O 3.08Å; R416-R421 PolarHBondContact N-O 2.72Å; R416-R421 PolarHBondContact O-N 2.97Å; E419-R421 VanDerWaalsContact C-N 3.33Å; E419-R421 HydrophobicContact CB-CB 4.11Å; E419-R421 PolarHBondContact O-N 3.15Å; E419-R421 IonicContact OE2-CZ 3.98Å; E419-R421 VanDerWaalsContact OE2-CZ 3.28Å; E419-R421 IonicContact OE2-NE 3.14Å; E419-R421 PolarHBondContact OE2-NE 3.15Å; E419-R421 VanDerWaalsContact OE2-NE 3.16Å; E419-R421 IonicContact OE2-NH2 3.42Å; E419-R421 PolarHBondContact OE2-NH2 3.26Å
422	W	98.6	Very high	96.7	Very high	7 Å²	7	50.1 Å²	50.1	3%	0.027	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	140.5	168.9	-66.1	88.1	0	0	0	111.9	L365 A379 P380 M381 K382 L390 L397 A399 E413 F414 Y415	L365-W422 HydrophobicContact CD1-CZ2 4.31Å; L365-W422 HydrophobicContact CD2-CZ2 4.09Å; A379-W422 VanDerWaalsContact O-CD1 3.29Å; A379-W422 PolarHBondContact O-NE1 3.12Å; P380-W422 VanDerWaalsContact C-CD1 3.43Å; M381-W422 HydrophobicContact CB-CD2 4.43Å; M381-W422 HydrophobicContact CG-CD2 3.75Å; M381-W422 VanDerWaalsContact CG-CE2 3.4Å; M381-W422 HydrophobicContact CG-CE3 4.12Å; M381-W422 HydrophobicContact CG-CG 4.38Å; M381-W422 HydrophobicContact CG-CH2 3.83Å; M381-W422 HydrophobicContact CG-CZ2 3.45Å; M381-W422 VanDerWaalsContact CG-CZ2 3.45Å; M381-W422 HydrophobicContact CG-CZ3 4.15Å; M381-W422 HydrophobicContact SD-CH2 4.1Å; M381-W422 HydrophobicContact SD-CZ2 4.19Å; K382-W422 WeakPolarHBondContact CE-O 3.43Å; K382-W422 HydrophobicContact CG-CB 4.44Å; K382-W422 PolarHBondContact NZ-O 3.16Å; L390-W422 HydrophobicContact CD1-CH2 4.04Å; L397-W422 HydrophobicContact CB-CH2 4.4Å; A399-W422 HydrophobicContact CB-CH2 4.04Å; A399-W422 HydrophobicContact CB-CZ3 3.78Å; E413-W422 HydrophobicContact CB-CE3 3.57Å; E413-W422 HydrophobicContact CB-CZ3 4.09Å; E413-W422 WeakPolarHBondContact O-CZ3 3.44Å; F414-W422 CarbonylContact O-C 3.59Å; F414-W422 VanDerWaalsContact O-CA 3.28Å; F414-W422 WeakPolarHBondContact O-CA 3.42Å; Y415-W422 AromaticContact CD2-CD1 3.74Å; Y415-W422 HydrophobicContact CD2-CD2 4.09Å; Y415-W422 AromaticContact CD2-CE2 3.71Å; Y415-W422 HydrophobicContact CD2-CG 4.15Å; Y415-W422 HydrophobicContact CD2-CZ2 4.28Å; Y415-W422 AromaticContact CD2-NE1 3.45Å; Y415-W422 HydrophobicContact CG-CD2 4.3Å; Y415-W422 AromaticContact CG-CE2 3.93Å; Y415-W422 HydrophobicContact CG-CZ2 4.09Å; Y415-W422 VanDerWaalsContact N-CE3 3.31Å
423	A	97.8	Very high	96.5	Very high	24 Å²	24	50.6 Å²	50.6	20%	0.198	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.1	172	0	0	0	0	0	110.2	E413 F414	E413-A423 CarbonylContact C-O 3.46Å; E413-A423 VanDerWaalsContact CA-O 3.31Å; E413-A423 WeakPolarHBondContact CA-O 3.49Å; F414-A423 PolarHBondContact N-O 2.8Å; F414-A423 PolarHBondContact O-N 2.65Å
424	Y	97.5	Very high	96.3	Very high	129 Å²	129	50.8 Å²	50.8	51%	0.506	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	139.4	173.7	-69	-63.4	0	0	0	110.4	K382 E413	K382-Y424 HydrophobicContact CB-CE1 4.31Å; K382-Y424 HydrophobicContact CB-CE2 4.47Å; K382-Y424 WeakPolarHBondContact CB-OH 3.49Å; K382-Y424 HydrophobicContact CD-CD1 4.5Å; K382-Y424 HydrophobicContact CD-CD2 3.79Å; K382-Y424 HydrophobicContact CD-CE1 4.12Å; K382-Y424 HydrophobicContact CD-CE2 3.37Å; K382-Y424 HydrophobicContact CD-CG 4.35Å; E413-Y424 HydrophobicContact CG-CD1 3.69Å; E413-Y424 HydrophobicContact CG-CE1 3.75Å
425	G	94.8	Very high	96.3	Very high	22 Å²	22	50.3 Å²	50.3	23%	0.227	26%	0.257	C	S	.	.			trans	-115.9	-161.8	170.1	0	0	0	0	0	111.8	V412 P427	V412-G425 PolarHBondContact O-N 3Å; G425-P427 WeakPolarHBondContact O-CD 3.48Å
426	P	94.7	Very high	96.2	Very high	20 Å²	20	50.5 Å²	50.5	13%	0.13	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-61.6	120.1	-178.5	-19.4	29.6	0	0	0	111.5	V412 E471 W473	V412-P426 WeakPolarHBondContact CB-O 3.42Å; V412-P426 VanDerWaalsContact CG2-O 3.24Å; V412-P426 WeakPolarHBondContact CG2-O 3.34Å; P426-E471 VanDerWaalsContact CB-O 3.28Å; P426-E471 WeakPolarHBondContact CB-O 3.28Å; P426-E471 HydrophobicContact CG-CB 3.42Å; P426-E471 VanDerWaalsContact CG-CB 3.42Å; P426-E471 WeakPolarHBondContact CG-O 3.43Å; P426-W473 PolarHBondContact O-NE1 3.22Å
427	P	96.6	Very high	96.3	Very high	86 Å²	86	46 Å²	46	56%	0.558	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-71.3	155.5	-179.3	31.4	-35.4	0	0	0	111	A410 G425	A410-P427 CarbonylContact O-C 3.51Å; A410-P427 WeakPolarHBondContact O-CA 3.45Å; G425-P427 WeakPolarHBondContact O-CD 3.48Å
428	L	96.8	Very high	96.3	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-61.1	144.9	167.7	-64.5	174.5	0	0	0	110.2	V400 A410 V412 R430 I446 L462 W473	V400-L428 HydrophobicContact CG1-CD1 3.99Å; V400-L428 HydrophobicContact CG1-CD2 3.95Å; V400-L428 HydrophobicContact CG1-CG 4.2Å; A410-L428 HydrophobicContact CB-CB 4.34Å; A410-L428 PolarHBondContact O-N 2.72Å; V412-L428 HydrophobicContact CG2-CG 4.2Å; L428-R430 VanDerWaalsContact CB-O 3.26Å; L428-R430 WeakPolarHBondContact CB-O 3.26Å; L428-R430 PolarHBondContact O-N 3.34Å; L428-R430 VanDerWaalsContact O-N 3.15Å; L428-I446 HydrophobicContact CD1-CD1 4.3Å; L428-I446 HydrophobicContact CD2-CD1 3.42Å; L428-I446 VanDerWaalsContact CD2-CD1 3.42Å; L428-L462 HydrophobicContact CD2-CD1 4.09Å; L428-W473 HydrophobicContact CD2-CD2 3.64Å; L428-W473 VanDerWaalsContact CD2-CE2 3.47Å; L428-W473 HydrophobicContact CD2-CE3 4.05Å; L428-W473 HydrophobicContact CD2-CG 4.11Å; L428-W473 HydrophobicContact CD2-CH2 4.11Å; L428-W473 HydrophobicContact CD2-CZ2 3.73Å; L428-W473 HydrophobicContact CD2-CZ3 4.27Å
429	P	94.6	Very high	96.4	Very high	88 Å²	88	45.8 Å²	45.8	57%	0.571	24%	0.237	S	C	*	.	S	Bend	trans	-59	-25.9	174.2	-24.1	33.9	0	0	0	113.3	L462 W473	P429-L462 HydrophobicContact CG-CD1 4.45Å; P429-W473 HydrophobicContact CG-CB 4.29Å
430	R	92.4	Very high	96.3	Very high	150 Å²	150	41.4 Å²	41.4	57%	0.566	22%	0.217	S	C	*	.	S	Bend	trans	-140.2	144.3	177.7	-63.4	-174.6	-178.3	-175.9	1.7	110.2	L428 T432	L428-R430 VanDerWaalsContact CB-O 3.26Å; L428-R430 WeakPolarHBondContact CB-O 3.26Å; L428-R430 PolarHBondContact O-N 3.34Å; L428-R430 VanDerWaalsContact O-N 3.15Å; R430-T432 PolarHBondContact O-OG1 2.83Å
431	P	95.1	Very high	96.1	Very high	55 Å²	55	45.4 Å²	45.4	36%	0.357	23%	0.234	S	C	.	.			trans	-55.7	143.1	170	-21.8	32.3	0	0	0	111.4	A408 L409 A410 D451	A408-P431 HydrophobicContact CB-CB 3.69Å; L409-P431 WeakPolarHBondContact O-CA 3.4Å; A410-P431 HydrophobicContact CB-CB 4.35Å; A410-P431 HydrophobicContact CB-CG 4.07Å; P431-D451 WeakPolarHBondContact O-CB 3.47Å
432	T	95.4	Very high	95.8	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.025	23%	0.228	C	C	.	.			trans	-156.8	134.1	-174.3	-67.8	0	0	0	0	112.1	G402 L409 R430 H435 H450 R458	G402-T432 PolarHBondContact N-O 2.99Å; L409-T432 PolarHBondContact O-N 3.3Å; R430-T432 PolarHBondContact O-OG1 2.83Å; T432-H435 HydrophobicContact CG2-CB 3.65Å; T432-H450 CarbonylContact C-O 3.51Å; T432-H450 VanDerWaalsContact CA-O 3.3Å; T432-H450 WeakPolarHBondContact CA-O 3.2Å; T432-R458 PolarHBondContact OG1-NH1 3.49Å; T432-R458 VanDerWaalsContact OG1-NH1 3.15Å; T432-R458 PolarHBondContact OG1-NH2 2.92Å
433	Y	95.3	Very high	95.6	Very high	10 Å²	10	40.7 Å²	40.7	4%	0.039	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-138.6	167.2	170.3	76	-84.2	0	0	0	111.3	D387 G402 R403 A408 H435 G449 H450 F452 Q453 W485	D387-Y433 HydrophobicContact CB-CD2 4.1Å; D387-Y433 WeakPolarHBondContact O-CA 3.29Å; G402-Y433 VanDerWaalsContact C-CB 3.42Å; R403-Y433 HydrophobicContact CB-CD1 4.23Å; R403-Y433 HydrophobicContact CB-CD2 4.47Å; R403-Y433 HydrophobicContact CB-CG 3.96Å; R403-Y433 VanDerWaalsContact CD-CD2 3.42Å; R403-Y433 HydrophobicContact CG-CD2 3.97Å; R403-Y433 HydrophobicContact CG-CG 3.95Å; A408-Y433 HydrophobicContact CB-CD1 3.84Å; A408-Y433 HydrophobicContact CB-CE1 4.41Å; Y433-H435 PolarHBondContact O-N 2.74Å; Y433-H435 VanDerWaalsContact O-N 3.14Å; Y433-G449 CarbonylContact O-C 3.59Å; Y433-G449 WeakPolarHBondContact O-CA 3.28Å; Y433-H450 VanDerWaalsContact CD1-O 3.28Å; Y433-H450 WeakPolarHBondContact CD1-O 3.47Å; Y433-H450 HydrophobicContact CE1-CB 4.33Å; Y433-H450 PolarHBondContact N-O 2.86Å; Y433-H450 PolarHBondContact O-N 3.23Å; Y433-F452 PolarHBondContact OH-O 2.86Å; Y433-Q453 WeakPolarHBondContact OH-CA 3.24Å; Y433-W485 HydrophobicContact CD2-CH2 4.27Å; Y433-W485 HydrophobicContact CD2-CZ2 4.2Å; Y433-W485 AromaticContact CE2-CH2 3.65Å; Y433-W485 HydrophobicContact CE2-CH2 3.65Å; Y433-W485 AromaticContact CE2-CZ2 3.69Å; Y433-W485 HydrophobicContact CE2-CZ2 3.69Å
434	G	94.2	Very high	95.6	Very high	4 Å²	4	39.5 Å²	39.5	4%	0.041	22%	0.219	C	C	.	.	S	Bend	trans	64.9	16.1	-176.6	0	0	0	0	0	113.1	D387 G484 W485	D387-G434 PolarHBondContact O-N 2.95Å; G434-G484 CarbonylContact O-C 3.59Å; G434-G484 WeakPolarHBondContact O-CA 3.24Å; G434-W485 PolarHBondContact O-N 2.88Å
435	H	97.1	Very high	95.6	Very high	8 Å²	8	34 Å²	34	4%	0.037	20%	0.198	C	C	.	.			trans	-85.5	164.1	175.5	65.1	-75.5	0	0	0	109.9	V400 T432 Y433 S447	V400-H435 PolarHBondContact O-CE1 2.91Å; V400-H435 PolarHBondContact O-NE2 3.05Å; T432-H435 HydrophobicContact CG2-CB 3.65Å; Y433-H435 PolarHBondContact O-N 2.74Å; Y433-H435 VanDerWaalsContact O-N 3.14Å; H435-S447 WeakPolarHBondContact CB-O 3.47Å
436	A	97.8	Very high	95.8	Very high	6 Å²	6	33.3 Å²	33.3	5%	0.05	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	159.1	172.3	0	0	0	0	0	110.3	I446 S447 H486 M488	A436-I446 CarbonylContact O-C 3.57Å; A436-I446 WeakPolarHBondContact O-CA 3.38Å; A436-S447 PolarHBondContact N-O 3.48Å; A436-S447 VanDerWaalsContact N-O 3.15Å; A436-S447 PolarHBondContact O-N 3.42Å; A436-H486 WeakPolarHBondContact CB-O 2.98Å; A436-M488 HydrophobicContact CB-CB 4.11Å; A436-M488 HydrophobicContact CB-CG 3.71Å; A436-M488 HydrophobicContact CB-SD 4.16Å; A436-M488 VanDerWaalsContact O-SD 3.4Å
437	G	97.7	Very high	95.9	Very high	6 Å²	6	32.4 Å²	32.4	6%	0.062	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	162.2	172.7	0	0	0	0	0	113.7	Y389 Y445 M488	Y389-G437 WeakPolarHBondContact CE2-O 3.26Å; Y389-G437 VanDerWaalsContact CZ-O 3.3Å; Y389-G437 PolarHBondContact OH-O 3.25Å; G437-Y445 CarbonylContact C-O 3.59Å; G437-Y445 WeakPolarHBondContact CA-O 3.44Å; G437-M488 WeakPolarHBondContact O-CB 3.49Å
438	A	98	Very high	95.9	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.033	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	146.9	174.1	0	0	0	0	0	110.3	Y389 Y445 M488 V495	Y389-A438 VanDerWaalsContact OH-CA 3.23Å; Y389-A438 WeakPolarHBondContact OH-CA 3.41Å; Y389-A438 PolarHBondContact OH-N 2.93Å; A438-Y445 PolarHBondContact N-O 3.14Å; A438-Y445 PolarHBondContact O-N 2.87Å; A438-M488 HydrophobicContact CB-CB 3.88Å; A438-V495 HydrophobicContact CB-CG1 3.97Å
439	V	97.3	Very high	95.8	Very high	40 Å²	40	28.1 Å²	28.1	24%	0.242	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.7	168.7	178.5	0	0	0	0	108.5	Y389 A391 V393 A443 I444 S490	Y389-V439 PolarHBondContact OH-N 2.79Å; A391-V439 HydrophobicContact CB-CG2 3.67Å; V393-V439 HydrophobicContact CG2-CB 4.4Å; V393-V439 HydrophobicContact CG2-CG1 3.86Å; V393-V439 HydrophobicContact CG2-CG2 3.59Å; V439-A443 WeakPolarHBondContact CA-O 3.42Å; V439-I444 HydrophobicContact CG2-CG1 4.48Å; V439-S490 WeakPolarHBondContact O-CB 3.44Å
440	H	96.1	Very high	95.5	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	121.5	176.1	-171.9	81.6	0	0	0	110.1	G442 A443 Y445 S490 H493 V495	H440-G442 PolarHBondContact O-N 3Å; H440-A443 PolarHBondContact N-O 3.18Å; H440-A443 PolarHBondContact O-N 2.77Å; H440-Y445 HydrophobicContact CB-CD2 4.05Å; H440-Y445 HydrophobicContact CB-CE2 3.91Å; H440-S490 PolarHBondContact ND1-OG 2.86Å; H440-H493 VanDerWaalsContact CE1-C 3.42Å; H440-V495 HydrophobicContact CB-CG2 3.58Å
441	Q	92.4	Very high	95.2	Very high	144 Å²	144	18.9 Å²	18.9	67%	0.673	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	40.7	-179.8	-63.6	176.3	15	0	0	113.6	A443	Q441-A443 VanDerWaalsContact C-N 3.25Å; Q441-A443 PolarHBondContact O-N 3.03Å
442	G	92.1	Very high	94.4	Very high	38 Å²	38	22.8 Å²	22.8	39%	0.392	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	-2.5	179.3	0	0	0	0	0	115.4	V393 H440	V393-G442 VanDerWaalsContact CG1-O 3.23Å; V393-G442 WeakPolarHBondContact CG1-O 3.33Å; H440-G442 PolarHBondContact O-N 3Å
443	A	94.6	Very high	93	Very high	6 Å²	6	29.8 Å²	29.8	5%	0.05	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	145.4	171.6	0	0	0	0	0	111.1	V439 H440 Q441 Y445 L464 D465	V439-A443 WeakPolarHBondContact CA-O 3.42Å; H440-A443 PolarHBondContact N-O 3.18Å; H440-A443 PolarHBondContact O-N 2.77Å; Q441-A443 VanDerWaalsContact C-N 3.25Å; Q441-A443 PolarHBondContact O-N 3.03Å; A443-Y445 HydrophobicContact CB-CE2 3.83Å; A443-L464 CarbonylContact C-O 3.55Å; A443-L464 WeakPolarHBondContact CA-O 3.3Å; A443-D465 HydrophobicContact CB-CB 4.22Å
444	I	97.4	Very high	91.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129.5	173.3	-59.9	170.4	0	0	0	108	Y389 A391 V393 I398 V439 I446 S463 L464 W473	Y389-I444 HydrophobicContact CD1-CG2 4.26Å; Y389-I444 HydrophobicContact CE1-CG2 3.95Å; A391-I444 HydrophobicContact CB-CD1 3.87Å; A391-I444 HydrophobicContact CB-CG1 3.99Å; V393-I444 HydrophobicContact CG2-CD1 4.05Å; V393-I444 HydrophobicContact CG2-CG1 3.69Å; I398-I444 HydrophobicContact CB-CD1 4.01Å; I398-I444 HydrophobicContact CD1-CD1 3.61Å; I398-I444 HydrophobicContact CG1-CD1 4.4Å; I398-I444 HydrophobicContact CG2-CD1 3.9Å; V439-I444 HydrophobicContact CG2-CG1 4.48Å; I444-I446 HydrophobicContact CG2-CG2 4.19Å; I444-S463 CarbonylContact O-C 3.56Å; I444-S463 WeakPolarHBondContact O-CA 3.24Å; I444-L464 HydrophobicContact CB-CB 4.43Å; I444-L464 PolarHBondContact N-O 3.44Å; I444-L464 PolarHBondContact O-N 2.84Å; I444-W473 HydrophobicContact CG2-CH2 4.01Å; I444-W473 HydrophobicContact CG2-CZ3 4.36Å
445	Y	98.2	Very high	90.5	Very high	14 Å²	14	37.4 Å²	37.4	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.8	168.4	-65.9	-97.9	0	0	0	108.5	G437 A438 H440 A443 L462 R476 F519	G437-Y445 CarbonylContact C-O 3.59Å; G437-Y445 WeakPolarHBondContact CA-O 3.44Å; A438-Y445 PolarHBondContact N-O 3.14Å; A438-Y445 PolarHBondContact O-N 2.87Å; H440-Y445 HydrophobicContact CB-CD2 4.05Å; H440-Y445 HydrophobicContact CB-CE2 3.91Å; A443-Y445 HydrophobicContact CB-CE2 3.83Å; Y445-L462 CarbonylContact C-O 3.55Å; Y445-L462 WeakPolarHBondContact CA-O 3.49Å; Y445-R476 HydrophobicContact CE1-CG 4.33Å; Y445-F519 HydrophobicContact CD1-CE1 4.35Å; Y445-F519 HydrophobicContact CE1-CD1 4.45Å; Y445-F519 AromaticContact CE1-CE1 3.85Å; Y445-F519 HydrophobicContact CE1-CE1 3.85Å
446	I	98.1	Very high	89.8	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	150	168.7	62.6	172.5	0	0	0	109.8	Y389 V400 L428 A436 I444 V461 L462 W473	Y389-I446 HydrophobicContact CD1-CG2 4.03Å; V400-I446 HydrophobicContact CG1-CD1 4Å; V400-I446 HydrophobicContact CG1-CG2 4.18Å; L428-I446 HydrophobicContact CD1-CD1 4.3Å; L428-I446 HydrophobicContact CD2-CD1 3.42Å; L428-I446 VanDerWaalsContact CD2-CD1 3.42Å; A436-I446 CarbonylContact O-C 3.57Å; A436-I446 WeakPolarHBondContact O-CA 3.38Å; I444-I446 HydrophobicContact CG2-CG2 4.19Å; I446-V461 CarbonylContact O-C 3.48Å; I446-V461 WeakPolarHBondContact O-CA 3.07Å; I446-V461 WeakPolarHBondContact O-CG1 3.41Å; I446-L462 HydrophobicContact CD1-CB 4.15Å; I446-L462 HydrophobicContact CD1-CD1 4.13Å; I446-L462 HydrophobicContact CG1-CB 3.75Å; I446-L462 PolarHBondContact N-O 3.11Å; I446-L462 PolarHBondContact O-N 3.06Å; I446-W473 HydrophobicContact CD1-CE3 4.31Å; I446-W473 HydrophobicContact CD1-CH2 4.06Å; I446-W473 HydrophobicContact CD1-CZ3 3.79Å; I446-W473 HydrophobicContact CG1-CE3 4.42Å; I446-W473 HydrophobicContact CG1-CH2 4.35Å; I446-W473 HydrophobicContact CG1-CZ3 3.77Å; I446-W473 HydrophobicContact CG2-CH2 4.26Å; I446-W473 HydrophobicContact CG2-CZ3 4.31Å
447	S	97.7	Very high	89.5	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	152	176.6	66.7	0	0	0	0	112.9	H435 A436 D460 M479 H486 M488	H435-S447 WeakPolarHBondContact CB-O 3.47Å; A436-S447 PolarHBondContact N-O 3.48Å; A436-S447 VanDerWaalsContact N-O 3.15Å; A436-S447 PolarHBondContact O-N 3.42Å; S447-D460 VanDerWaalsContact CA-O 3.3Å; S447-D460 WeakPolarHBondContact CA-O 3.47Å; S447-M479 PolarHBondContact OG-SD 3.27Å; S447-H486 PolarHBondContact O-CE1 2.86Å; S447-H486 PolarHBondContact O-NE2 3.06Å; S447-H486 PolarHBondContact OG-NE2 2.83Å; S447-M488 PolarHBondContact OG-SD 3.46Å
448	G	96.1	Very high	89.2	Confident	2 Å²	2	43.7 Å²	43.7	2%	0.021	24%	0.235	C	C	.	.			trans	67.4	-141.8	171.3	0	0	0	0	0	115.2	R458 D460 R483	G448-R458 WeakPolarHBondContact CA-O 3.29Å; G448-R458 PolarHBondContact O-NH2 2.78Å; G448-D460 PolarHBondContact N-O 2.79Å; G448-R483 WeakPolarHBondContact CA-O 3.27Å
449	G	93.8	Very high	89.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.			trans	72.3	-170.7	-174.2	0	0	0	0	0	114	Y433 R458 R483	Y433-G449 CarbonylContact O-C 3.59Å; Y433-G449 WeakPolarHBondContact O-CA 3.28Å; G449-R458 PolarHBondContact O-N 2.95Å; G449-R458 PolarHBondContact O-NE 3.13Å; G449-R458 VanDerWaalsContact O-NE 3.15Å; G449-R483 PolarHBondContact N-O 2.93Å
450	H	89.1	Confident	89	Confident	5 Å²	5	51.7 Å²	51.7	2%	0.023	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-138.2	159.7	-172.3	-153.2	-77.3	0	0	0	112.5	T432 Y433 F452 G455 P456 Y457	T432-H450 CarbonylContact C-O 3.51Å; T432-H450 VanDerWaalsContact CA-O 3.3Å; T432-H450 WeakPolarHBondContact CA-O 3.2Å; Y433-H450 VanDerWaalsContact CD1-O 3.28Å; Y433-H450 WeakPolarHBondContact CD1-O 3.47Å; Y433-H450 HydrophobicContact CE1-CB 4.33Å; Y433-H450 PolarHBondContact N-O 2.86Å; Y433-H450 PolarHBondContact O-N 3.23Å; H450-F452 PolarHBondContact CE1-N 3.06Å; H450-F452 PolarHBondContact ND1-N 3.41Å; H450-F452 PolarHBondContact ND1-O 3.03Å; H450-G455 PolarHBondContact CD2-O 3.17Å; H450-G455 VanDerWaalsContact CD2-O 3.25Å; H450-G455 VanDerWaalsContact NE2-CA 3.28Å; H450-G455 WeakPolarHBondContact NE2-CA 3.21Å; H450-G455 PolarHBondContact NE2-O 2.8Å; H450-P456 PolarHBondContact CD2-O 2.88Å; H450-P456 PolarHBondContact NE2-O 3.34Å; H450-Y457 HydrophobicContact CB-CD1 4.01Å; H450-Y457 HydrophobicContact CB-CE1 4.11Å; H450-Y457 AromaticContact CD2-CD1 3.98Å
451	D	85.1	Confident	89.1	Confident	38 Å²	38	51.6 Å²	51.6	20%	0.203	27%	0.265	C	S	.	.	S	Bend	trans	-107.7	-15.9	179.6	50.6	-0.9	0	0	0	114.9	A408 P431	A408-D451 VanDerWaalsContact CB-O 3.26Å; A408-D451 WeakPolarHBondContact CB-O 3.46Å; P431-D451 WeakPolarHBondContact O-CB 3.47Å
452	F	78.6	Confident	89.3	Confident	137 Å²	137	45.8 Å²	45.8	60%	0.601	24%	0.239	S	C	*	.	S	Bend	trans	-131.5	165.1	179.3	-54.9	-75.6	0	0	0	111.7	Y433 H450 I454	Y433-F452 PolarHBondContact OH-O 2.86Å; H450-F452 PolarHBondContact CE1-N 3.06Å; H450-F452 PolarHBondContact ND1-N 3.41Å; H450-F452 PolarHBondContact ND1-O 3.03Å; F452-I454 PolarHBondContact O-N 3.05Å
453	Q	66.9	Low	89.5	Confident	152 Å²	152	44.1 Å²	44.1	71%	0.71	22%	0.221	S	C	*	.	S	Bend	trans	-65.5	-27.6	176.4	-86.5	-179.8	-26	0	0	113.5	Y433	Y433-Q453 WeakPolarHBondContact OH-CA 3.24Å
454	I	66.1	Low	89.6	Confident	148 Å²	148	43.8 Å²	43.8	76%	0.759	22%	0.219	S	C	*	.	S	Bend	trans	-133.2	125.6	-177.9	-56	174.8	0	0	0	107.6	F452	F452-I454 PolarHBondContact O-N 3.05Å
455	G	70.9	Confident	89.4	Confident	25 Å²	25	45.5 Å²	45.5	26%	0.258	23%	0.227	S	C	.	.	S	Bend	trans	156.4	178.6	174.4	0	0	0	0	0	112.4	H450	H450-G455 PolarHBondContact CD2-O 3.17Å; H450-G455 VanDerWaalsContact CD2-O 3.25Å; H450-G455 VanDerWaalsContact NE2-CA 3.28Å; H450-G455 WeakPolarHBondContact NE2-CA 3.21Å; H450-G455 PolarHBondContact NE2-O 2.8Å
456	P	81.3	Confident	88.9	Confident	102 Å²	102	47.1 Å²	47.1	66%	0.662	24%	0.237	S	C	*	.			trans	-76.7	137	-175.4	31	-34.9	0	0	0	112.1	H450	H450-P456 PolarHBondContact CD2-O 2.88Å; H450-P456 PolarHBondContact NE2-O 3.34Å
457	Y	90.9	Very high	88.2	Confident	14 Å²	14	51.4 Å²	51.4	6%	0.055	27%	0.273	C	S	.	.			trans	-62.7	164	170.3	-62.9	-57.2	0	0	0	112.3	H450 A482 W485 D502 D503 R510	H450-Y457 HydrophobicContact CB-CD1 4.01Å; H450-Y457 HydrophobicContact CB-CE1 4.11Å; H450-Y457 AromaticContact CD2-CD1 3.98Å; Y457-A482 WeakPolarHBondContact O-CB 3.32Å; Y457-W485 HydrophobicContact CD1-CZ3 4.03Å; Y457-W485 AromaticContact CE1-CE3 3.95Å; Y457-W485 HydrophobicContact CE1-CE3 3.95Å; Y457-W485 AromaticContact CE1-CH2 3.82Å; Y457-W485 HydrophobicContact CE1-CH2 3.82Å; Y457-W485 AromaticContact CE1-CZ3 3.08Å; Y457-W485 HydrophobicContact CE1-CZ3 3.08Å; Y457-W485 AromaticContact CZ-CE3 3.84Å; Y457-W485 AromaticContact CZ-CZ3 3.35Å; Y457-W485 VanDerWaalsContact OH-CE3 3.26Å; Y457-W485 WeakPolarHBondContact OH-CZ3 3.48Å; Y457-D502 HydrophobicContact CD2-CB 4.44Å; Y457-D502 WeakPolarHBondContact CD2-OD1 3.39Å; Y457-D503 HydrophobicContact CD2-CB 4.44Å; Y457-D503 HydrophobicContact CE2-CB 4.35Å; Y457-D503 WeakPolarHBondContact CE2-OD1 3.45Å; Y457-R510 PolarHBondContact OH-NE 3.12Å; Y457-R510 PolarHBondContact OH-NH2 3.28Å
458	R	93	Very high	87.3	Confident	36 Å²	36	56.5 Å²	56.5	14%	0.136	29%	0.292	C	S	.	.			trans	-113	158	-175.3	-60	174.2	-55.9	165.6	25.5	111	T432 G448 G449 A482 R483	T432-R458 PolarHBondContact OG1-NH1 3.49Å; T432-R458 VanDerWaalsContact OG1-NH1 3.15Å; T432-R458 PolarHBondContact OG1-NH2 2.92Å; G448-R458 WeakPolarHBondContact CA-O 3.29Å; G448-R458 PolarHBondContact O-NH2 2.78Å; G449-R458 PolarHBondContact O-N 2.95Å; G449-R458 PolarHBondContact O-NE 3.13Å; G449-R458 VanDerWaalsContact O-NE 3.15Å; R458-A482 WeakPolarHBondContact O-CA 3.21Å; R458-R483 PolarHBondContact O-N 3.31Å; R458-R483 VanDerWaalsContact O-N 3.1Å
459	R	95.3	Very high	85.7	Confident	139 Å²	139	62.4 Å²	62.4	53%	0.525	33%	0.33	S	S	.	.			trans	-106.6	-0.6	171	61.6	175.4	-175	-171.5	-1.1	112.9	P478 M479	R459-P478 HydrophobicContact CB-CB 4.21Å; R459-P478 HydrophobicContact CG-CB 3.72Å; R459-P478 CarbonylContact O-C 3.56Å; R459-P478 VanDerWaalsContact O-CA 3.28Å; R459-P478 WeakPolarHBondContact O-CA 3.22Å; R459-P478 WeakPolarHBondContact O-CB 3.39Å; R459-M479 HydrophobicContact CB-CB 4.23Å; R459-M479 WeakPolarHBondContact CD-O 3.25Å; R459-M479 PolarHBondContact O-N 3.02Å
460	D	95.4	Very high	84.7	Confident	74 Å²	74	65.2 Å²	65.2	40%	0.396	36%	0.359	S	S	.	.			trans	-62.6	142.8	-174.8	-60.1	-39.2	0	0	0	110.8	S447 G448	S447-D460 VanDerWaalsContact CA-O 3.3Å; S447-D460 WeakPolarHBondContact CA-O 3.47Å; G448-D460 PolarHBondContact N-O 2.79Å
461	V	97.6	Very high	84	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.012	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.4	178.4	-175.5	0	0	0	0	107.8	I446 R476 P477 M479 W526	I446-V461 CarbonylContact O-C 3.48Å; I446-V461 WeakPolarHBondContact O-CA 3.07Å; I446-V461 WeakPolarHBondContact O-CG1 3.41Å; V461-R476 HydrophobicContact CB-CB 3.9Å; V461-R476 HydrophobicContact CG1-CB 3.77Å; V461-R476 HydrophobicContact CG1-CG 4.35Å; V461-R476 PolarHBondContact O-N 3.29Å; V461-P477 WeakPolarHBondContact CG2-O 3.34Å; V461-M479 HydrophobicContact CG2-CG 3.95Å; V461-W526 HydrophobicContact CG1-CZ2 4.48Å; V461-W526 HydrophobicContact CG2-CZ2 3.74Å
462	L	97.4	Very high	84.3	Confident	22 Å²	22	70.7 Å²	70.7	12%	0.115	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143	176.6	-63.6	170.7	0	0	0	109.7	L428 P429 Y445 I446 W473 R474 N475	L428-L462 HydrophobicContact CD2-CD1 4.09Å; P429-L462 HydrophobicContact CG-CD1 4.45Å; Y445-L462 CarbonylContact C-O 3.55Å; Y445-L462 WeakPolarHBondContact CA-O 3.49Å; I446-L462 HydrophobicContact CD1-CB 4.15Å; I446-L462 HydrophobicContact CD1-CD1 4.13Å; I446-L462 HydrophobicContact CG1-CB 3.75Å; I446-L462 PolarHBondContact N-O 3.11Å; I446-L462 PolarHBondContact O-N 3.06Å; L462-W473 HydrophobicContact CB-CE3 3.73Å; L462-W473 HydrophobicContact CB-CZ3 4.29Å; L462-R474 CarbonylContact C-O 3.52Å; L462-R474 VanDerWaalsContact CA-O 3.29Å; L462-R474 WeakPolarHBondContact CA-O 2.93Å; L462-N475 WeakPolarHBondContact CD2-OD1 3.37Å
463	S	96.8	Very high	85.1	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.014	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.5	171.6	70.9	0	0	0	0	112	I444 R474 R476	I444-S463 CarbonylContact O-C 3.56Å; I444-S463 WeakPolarHBondContact O-CA 3.24Å; S463-R474 PolarHBondContact N-O 3.28Å; S463-R474 PolarHBondContact O-N 2.92Å; S463-R476 PolarHBondContact OG-NE 2.74Å; S463-R476 PolarHBondContact OG-NH2 3.12Å
464	L	96	Very high	86.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	117	169.3	-179.4	65.4	0	0	0	109	F414 A443 I444 L466 W473	F414-L464 HydrophobicContact CZ-CD2 4.28Å; A443-L464 CarbonylContact C-O 3.55Å; A443-L464 WeakPolarHBondContact CA-O 3.3Å; I444-L464 HydrophobicContact CB-CB 4.43Å; I444-L464 PolarHBondContact N-O 3.44Å; I444-L464 PolarHBondContact O-N 2.84Å; L464-L466 HydrophobicContact CD2-CD2 3.89Å; L464-L466 HydrophobicContact CG-CD2 3.97Å; L464-W473 HydrophobicContact CB-CD2 3.94Å; L464-W473 HydrophobicContact CB-CE3 3.78Å; L464-W473 HydrophobicContact CB-CH2 4.01Å; L464-W473 HydrophobicContact CB-CZ2 4.12Å; L464-W473 HydrophobicContact CB-CZ3 3.83Å; L464-W473 HydrophobicContact CD2-CZ2 3.96Å
465	D	92.6	Very high	87.9	Confident	35 Å²	35	62.9 Å²	62.9	19%	0.187	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111	176.6	-174.9	-15.3	0	0	0	108.8	A443 A467 R468	A443-D465 HydrophobicContact CB-CB 4.22Å; D465-A467 VanDerWaalsContact C-N 3.3Å; D465-A467 WeakPolarHBondContact OD1-CB 3.32Å; D465-A467 PolarHBondContact OD1-N 2.83Å; D465-R468 HydrophobicContact CB-CB 4.47Å; D465-R468 HydrophobicContact CB-CG 4.1Å; D465-R468 WeakPolarHBondContact OD2-CD 3.34Å; D465-R468 WeakPolarHBondContact OD2-CG 3.35Å; D465-R468 IonicContact OD2-CZ 3.54Å; D465-R468 IonicContact OD2-NE 3.69Å; D465-R468 PolarHBondContact OD2-NE 2.85Å; D465-R468 IonicContact OD2-NH2 3.74Å
466	L	87.6	Confident	89.1	Confident	49 Å²	49	64.3 Å²	64.3	26%	0.257	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.6	-176.8	-58.6	177.5	0	0	0	113	V393 I398 F414 L464 R468	V393-L466 HydrophobicContact CB-CD1 4.04Å; V393-L466 HydrophobicContact CG1-CD1 3.74Å; I398-L466 HydrophobicContact CD1-CD1 3.53Å; F414-L466 HydrophobicContact CE1-CD1 4.17Å; F414-L466 HydrophobicContact CE1-CD2 3.88Å; F414-L466 HydrophobicContact CZ-CD2 3.92Å; L464-L466 HydrophobicContact CD2-CD2 3.89Å; L464-L466 HydrophobicContact CG-CD2 3.97Å; L466-R468 VanDerWaalsContact C-N 3.31Å
467	A	84.6	Confident	89.9	Confident	96 Å²	96	61 Å²	61	79%	0.793	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.7	176.8	0	0	0	0	0	112.1	D465	D465-A467 VanDerWaalsContact C-N 3.3Å; D465-A467 WeakPolarHBondContact OD1-CB 3.32Å; D465-A467 PolarHBondContact OD1-N 2.83Å
468	R	78.8	Confident	90.2	Very high	109 Å²	109	63.1 Å²	63.1	41%	0.411	34%	0.344	S	S	.	.	S	Bend	trans	-86.8	144.5	-178.6	-69.8	-178.1	-164.9	-152.3	-2	111.9	D465 L466 G470	D465-R468 HydrophobicContact CB-CB 4.47Å; D465-R468 HydrophobicContact CB-CG 4.1Å; D465-R468 WeakPolarHBondContact OD2-CD 3.34Å; D465-R468 WeakPolarHBondContact OD2-CG 3.35Å; D465-R468 IonicContact OD2-CZ 3.54Å; D465-R468 IonicContact OD2-NE 3.69Å; D465-R468 PolarHBondContact OD2-NE 2.85Å; D465-R468 IonicContact OD2-NH2 3.74Å; L466-R468 VanDerWaalsContact C-N 3.31Å; R468-G470 PolarHBondContact O-N 3.45Å
469	P	62.2	Low	90.4	Very high	126 Å²	126	61.5 Å²	61.5	82%	0.818	34%	0.338	S	S	*	.	S	Bend	trans	-65.4	133.2	171.7	25.8	-31.5	0	0	0	110.8
470	G	73	Confident	90.3	Very high	58 Å²	58	57.8 Å²	57.8	60%	0.598	33%	0.334	S	S	*	.	S	Bend	trans	80.9	79.4	-176.7	0	0	0	0	0	112	R468 A472	R468-G470 PolarHBondContact O-N 3.45Å; G470-A472 PolarHBondContact O-N 3.33Å
471	E	74.6	Confident	90.1	Very high	108 Å²	108	55.8 Å²	55.8	51%	0.505	32%	0.324	S	S	.	.			trans	-59	101	178.7	-56.1	175.6	-170	0	0	110.2	P426	P426-E471 VanDerWaalsContact CB-O 3.28Å; P426-E471 WeakPolarHBondContact CB-O 3.28Å; P426-E471 HydrophobicContact CG-CB 3.42Å; P426-E471 VanDerWaalsContact CG-CB 3.42Å; P426-E471 WeakPolarHBondContact CG-O 3.43Å
472	A	90.4	Very high	90	Very high	51 Å²	51	56.6 Å²	56.6	42%	0.421	33%	0.331	S	S	.	.			trans	-148	143.5	-179.6	0	0	0	0	0	110.9	G470	G470-A472 PolarHBondContact O-N 3.33Å
473	W	95.8	Very high	89.8	Confident	24 Å²	24	55.5 Å²	55.5	9%	0.091	33%	0.325	C	S	.	.			trans	-68.9	133.1	175.1	-68.6	92.7	0	0	0	110.9	V400 V412 P426 L428 P429 I444 I446 L462 L464	V400-W473 HydrophobicContact CB-CH2 4.48Å; V400-W473 HydrophobicContact CG1-CH2 3.63Å; V400-W473 HydrophobicContact CG1-CZ2 3.65Å; V400-W473 HydrophobicContact CG2-CH2 3.97Å; V400-W473 HydrophobicContact CG2-CZ2 3.99Å; V412-W473 HydrophobicContact CG2-CZ2 3.91Å; P426-W473 PolarHBondContact O-NE1 3.22Å; L428-W473 HydrophobicContact CD2-CD2 3.64Å; L428-W473 VanDerWaalsContact CD2-CE2 3.47Å; L428-W473 HydrophobicContact CD2-CE3 4.05Å; L428-W473 HydrophobicContact CD2-CG 4.11Å; L428-W473 HydrophobicContact CD2-CH2 4.11Å; L428-W473 HydrophobicContact CD2-CZ2 3.73Å; L428-W473 HydrophobicContact CD2-CZ3 4.27Å; P429-W473 HydrophobicContact CG-CB 4.29Å; I444-W473 HydrophobicContact CG2-CH2 4.01Å; I444-W473 HydrophobicContact CG2-CZ3 4.36Å; I446-W473 HydrophobicContact CD1-CE3 4.31Å; I446-W473 HydrophobicContact CD1-CH2 4.06Å; I446-W473 HydrophobicContact CD1-CZ3 3.79Å; I446-W473 HydrophobicContact CG1-CE3 4.42Å; I446-W473 HydrophobicContact CG1-CH2 4.35Å; I446-W473 HydrophobicContact CG1-CZ3 3.77Å; I446-W473 HydrophobicContact CG2-CH2 4.26Å; I446-W473 HydrophobicContact CG2-CZ3 4.31Å; L462-W473 HydrophobicContact CB-CE3 3.73Å; L462-W473 HydrophobicContact CB-CZ3 4.29Å; L464-W473 HydrophobicContact CB-CD2 3.94Å; L464-W473 HydrophobicContact CB-CE3 3.78Å; L464-W473 HydrophobicContact CB-CH2 4.01Å; L464-W473 HydrophobicContact CB-CZ2 4.12Å; L464-W473 HydrophobicContact CB-CZ3 3.83Å; L464-W473 HydrophobicContact CD2-CZ2 3.96Å
474	R	94.8	Very high	89.7	Confident	116 Å²	116	55.4 Å²	55.4	44%	0.438	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.8	-179.5	-61.4	-178.6	-177.8	-131.4	-0.6	110.7	L462 S463	L462-R474 CarbonylContact C-O 3.52Å; L462-R474 VanDerWaalsContact CA-O 3.29Å; L462-R474 WeakPolarHBondContact CA-O 2.93Å; S463-R474 PolarHBondContact N-O 3.28Å; S463-R474 PolarHBondContact O-N 2.92Å
475	N	96.1	Very high	89.6	Confident	133 Å²	133	56.3 Å²	56.3	71%	0.711	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	141.4	171.8	-66.1	-44.7	0	0	0	110.8	L462	L462-N475 WeakPolarHBondContact CD2-OD1 3.37Å
476	R	96.8	Very high	89.8	Confident	54 Å²	54	54.7 Å²	54.7	20%	0.204	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	164	171	-65.3	-60.6	-178	160.8	3.2	109.7	Y445 V461 S463 D524	Y445-R476 HydrophobicContact CE1-CG 4.33Å; V461-R476 HydrophobicContact CB-CB 3.9Å; V461-R476 HydrophobicContact CG1-CB 3.77Å; V461-R476 HydrophobicContact CG1-CG 4.35Å; V461-R476 PolarHBondContact O-N 3.29Å; S463-R476 PolarHBondContact OG-NE 2.74Å; S463-R476 PolarHBondContact OG-NH2 3.12Å; R476-D524 IonicContact NH1-OD1 3.98Å
477	P	97.5	Very high	90.3	Very high	33 Å²	33	55.1 Å²	55.1	21%	0.214	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-49.4	130.4	172.9	-30.1	37.9	0	0	0	110.5	V461 F519 D524 W526	V461-P477 WeakPolarHBondContact CG2-O 3.34Å; P477-F519 HydrophobicContact CB-CE2 4.46Å; P477-F519 HydrophobicContact CG-CE2 4.29Å; P477-D524 WeakPolarHBondContact CD-OD1 3.31Å; P477-D524 VanDerWaalsContact CD-OD2 3.23Å; P477-D524 WeakPolarHBondContact CD-OD2 3.43Å; P477-D524 HydrophobicContact CG-CB 4.16Å; P477-D524 VanDerWaalsContact CG-O 3.3Å; P477-D524 WeakPolarHBondContact CG-O 3.26Å; P477-D524 WeakPolarHBondContact CG-OD2 3.48Å; P477-W526 PolarHBondContact O-NE1 3.19Å
478	P	97.6	Very high	90.9	Very high	58 Å²	58	51.2 Å²	51.2	38%	0.377	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-69.4	155.6	-176.1	29.5	-35.1	0	0	0	111.1	R459 W526	R459-P478 HydrophobicContact CB-CB 4.21Å; R459-P478 HydrophobicContact CG-CB 3.72Å; R459-P478 CarbonylContact O-C 3.56Å; R459-P478 VanDerWaalsContact O-CA 3.28Å; R459-P478 WeakPolarHBondContact O-CA 3.22Å; R459-P478 WeakPolarHBondContact O-CB 3.39Å; P478-W526 PolarHBondContact O-NE1 2.86Å
479	M	97.1	Very high	91.8	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-58.8	159.1	168.4	-66.4	-177.5	-59.3	0	0	111.1	S447 R459 V461 V481 R483 A497 W526	S447-M479 PolarHBondContact OG-SD 3.27Å; R459-M479 HydrophobicContact CB-CB 4.23Å; R459-M479 WeakPolarHBondContact CD-O 3.25Å; R459-M479 PolarHBondContact O-N 3.02Å; V461-M479 HydrophobicContact CG2-CG 3.95Å; M479-V481 VanDerWaalsContact C-N 3.33Å; M479-V481 WeakPolarHBondContact CB-O 3.49Å; M479-R483 HydrophobicContact CE-CB 4.09Å; M479-R483 HydrophobicContact CE-CG 4.04Å; M479-R483 HydrophobicContact SD-CG 4.43Å; M479-A497 HydrophobicContact SD-CB 3.85Å; M479-W526 HydrophobicContact CG-CD2 4.48Å; M479-W526 HydrophobicContact CG-CH2 3.83Å; M479-W526 HydrophobicContact CG-CZ2 3.62Å; M479-W526 HydrophobicContact CG-CZ3 4.35Å; M479-W526 HydrophobicContact SD-CH2 4.43Å
480	S	94.8	Very high	93.5	Very high	62 Å²	62	42.1 Å²	42.1	43%	0.434	24%	0.239	S	C	.	.	S	Bend	trans	-70.6	-30.9	174.8	58	0	0	0	0	112.7	E517	S480-E517 WeakPolarHBondContact CB-OE2 3.48Å; S480-E517 PolarHBondContact N-OE2 3.15Å; S480-E517 PolarHBondContact OG-OE1 2.9Å; S480-E517 PolarHBondContact OG-OE2 2.77Å
481	V	91.4	Very high	94.6	Very high	32 Å²	32	39.9 Å²	39.9	19%	0.194	21%	0.213	C	C	.	.	S	Bend	trans	-123.7	145	-179.2	-170.7	0	0	0	0	110	M479 I513	M479-V481 VanDerWaalsContact C-N 3.33Å; M479-V481 WeakPolarHBondContact CB-O 3.49Å; V481-I513 HydrophobicContact CG1-CD1 4.06Å
482	A	93.8	Very high	95.6	Very high	18 Å²	18	40.5 Å²	40.5	15%	0.149	21%	0.211	C	C	.	.			trans	-74.5	139.4	170.9	0	0	0	0	0	110	Y457 R458 I513	Y457-A482 WeakPolarHBondContact O-CB 3.32Å; R458-A482 WeakPolarHBondContact O-CA 3.21Å; A482-I513 VanDerWaalsContact O-CD1 3.26Å; A482-I513 WeakPolarHBondContact O-CD1 3.16Å
483	R	94.6	Very high	95.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.			trans	-142.7	137.9	-172.2	-53	177.9	-178.8	-98.9	-1.7	111.5	G448 G449 R458 M479 H486 G499 I513 E515 E517	G448-R483 WeakPolarHBondContact CA-O 3.27Å; G449-R483 PolarHBondContact N-O 2.93Å; R458-R483 PolarHBondContact O-N 3.31Å; R458-R483 VanDerWaalsContact O-N 3.1Å; M479-R483 HydrophobicContact CE-CB 4.09Å; M479-R483 HydrophobicContact CE-CG 4.04Å; M479-R483 HydrophobicContact SD-CG 4.43Å; R483-H486 HydrophobicContact CB-CB 4.09Å; R483-G499 PolarHBondContact NH1-O 3.13Å; R483-I513 HydrophobicContact CB-CD1 4.22Å; R483-I513 HydrophobicContact CG-CD1 3.73Å; R483-I513 VanDerWaalsContact NH1-CG2 3.26Å; R483-E515 VanDerWaalsContact CZ-O 3.31Å; R483-E515 PolarHBondContact NH1-O 3.46Å; R483-E515 PolarHBondContact NH2-O 3.29Å; R483-E517 IonicContact CZ-OE1 3.98Å; R483-E517 IonicContact NE-OE1 3.06Å; R483-E517 PolarHBondContact NE-OE1 2.95Å; R483-E517 IonicContact NH2-OE1 3.49Å; R483-E517 PolarHBondContact NH2-OE1 3.5Å
484	G	94.2	Very high	95.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-123.6	158	160.7	0	0	0	0	0	111.2	G434 H486 G500 S501	G434-G484 CarbonylContact O-C 3.59Å; G434-G484 WeakPolarHBondContact O-CA 3.24Å; G484-H486 PolarHBondContact O-N 2.77Å; G484-G500 CarbonylContact O-C 3.53Å; G484-G500 WeakPolarHBondContact O-CA 3.42Å; G484-S501 PolarHBondContact N-O 3.3Å; G484-S501 PolarHBondContact O-N 2.87Å
485	W	94.1	Very high	96	Very high	18 Å²	18	35.6 Å²	35.6	7%	0.068	19%	0.186	C	C	.	.	S	Bend	trans	51.8	20.2	178.7	-61.5	-105.5	0	0	0	113.6	Y433 G434 Y457 R487 E538	Y433-W485 HydrophobicContact CD2-CH2 4.27Å; Y433-W485 HydrophobicContact CD2-CZ2 4.2Å; Y433-W485 AromaticContact CE2-CH2 3.65Å; Y433-W485 HydrophobicContact CE2-CH2 3.65Å; Y433-W485 AromaticContact CE2-CZ2 3.69Å; Y433-W485 HydrophobicContact CE2-CZ2 3.69Å; G434-W485 PolarHBondContact O-N 2.88Å; Y457-W485 HydrophobicContact CD1-CZ3 4.03Å; Y457-W485 AromaticContact CE1-CE3 3.95Å; Y457-W485 HydrophobicContact CE1-CE3 3.95Å; Y457-W485 AromaticContact CE1-CH2 3.82Å; Y457-W485 HydrophobicContact CE1-CH2 3.82Å; Y457-W485 AromaticContact CE1-CZ3 3.08Å; Y457-W485 HydrophobicContact CE1-CZ3 3.08Å; Y457-W485 AromaticContact CZ-CE3 3.84Å; Y457-W485 AromaticContact CZ-CZ3 3.35Å; Y457-W485 VanDerWaalsContact OH-CE3 3.26Å; Y457-W485 WeakPolarHBondContact OH-CZ3 3.48Å; W485-R487 PolarHBondContact O-NH1 2.86Å; W485-E538 HydrophobicContact CB-CG 3.87Å; W485-E538 VanDerWaalsContact CD1-CG 3.48Å; W485-E538 HydrophobicContact CG-CG 3.98Å; W485-E538 PolarHBondContact O-N 3.11Å
486	H	96.8	Very high	96	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.154	C	C	.	.			trans	-75.8	-177.7	172.1	66.2	-64.8	0	0	0	110.6	A436 S447 R483 G484 I498 G499	A436-H486 WeakPolarHBondContact CB-O 2.98Å; S447-H486 PolarHBondContact O-CE1 2.86Å; S447-H486 PolarHBondContact O-NE2 3.06Å; S447-H486 PolarHBondContact OG-NE2 2.83Å; R483-H486 HydrophobicContact CB-CB 4.09Å; G484-H486 PolarHBondContact O-N 2.77Å; H486-I498 WeakPolarHBondContact CB-O 3.36Å; H486-G499 WeakPolarHBondContact CB-O 3.28Å
487	R	97.2	Very high	96.1	Very high	59 Å²	59	27.3 Å²	27.3	22%	0.223	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.7	174.9	-64.2	-65.5	-176.9	-94.1	0.8	111	W485 I498 E538 A539 L541	W485-R487 PolarHBondContact O-NH1 2.86Å; R487-I498 PolarHBondContact N-O 3.5Å; R487-I498 PolarHBondContact O-N 3.28Å; R487-E538 VanDerWaalsContact NH2-CA 3.34Å; R487-E538 PolarHBondContact NH2-O 3.24Å; R487-A539 PolarHBondContact NE-O 3.26Å; R487-A539 PolarHBondContact NH2-O 3.11Å; R487-L541 HydrophobicContact CB-CB 3.79Å; R487-L541 HydrophobicContact CB-CD1 3.49Å; R487-L541 VanDerWaalsContact CB-CD1 3.49Å; R487-L541 HydrophobicContact CB-CG 4.18Å; R487-L541 HydrophobicContact CG-CB 3.86Å; R487-L541 HydrophobicContact CG-CD1 4.4Å
488	M	97.9	Very high	96.1	Very high	14 Å²	14	26 Å²	26	7%	0.069	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.3	172.7	-74.2	175.7	77.4	0	0	110.7	A436 G437 A438 S447 V495 Y496 A497	A436-M488 HydrophobicContact CB-CB 4.11Å; A436-M488 HydrophobicContact CB-CG 3.71Å; A436-M488 HydrophobicContact CB-SD 4.16Å; A436-M488 VanDerWaalsContact O-SD 3.4Å; G437-M488 WeakPolarHBondContact O-CB 3.49Å; A438-M488 HydrophobicContact CB-CB 3.88Å; S447-M488 PolarHBondContact OG-SD 3.46Å; M488-V495 HydrophobicContact CE-CG1 3.38Å; M488-Y496 CarbonylContact C-O 3.33Å; M488-Y496 WeakPolarHBondContact CA-O 3.38Å; M488-Y496 WeakPolarHBondContact CB-O 3.31Å; M488-A497 HydrophobicContact CG-CB 4.27Å
489	A	97.3	Very high	96	Very high	5 Å²	5	23.3 Å²	23.3	4%	0.041	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	138.2	-178.8	0	0	0	0	0	110.3	V495 Y496 L541 V543 I548	A489-V495 CarbonylContact O-C 3.54Å; A489-V495 WeakPolarHBondContact O-CA 3.22Å; A489-Y496 PolarHBondContact N-O 3.31Å; A489-Y496 PolarHBondContact O-N 3.44Å; A489-L541 HydrophobicContact CB-CD1 4.27Å; A489-L541 HydrophobicContact CB-CD2 3.48Å; A489-L541 VanDerWaalsContact CB-CD2 3.48Å; A489-V543 HydrophobicContact CB-CG2 3.95Å; A489-I548 HydrophobicContact CB-CD1 4.25Å; A489-I548 HydrophobicContact CB-CG2 4.33Å
490	S	97.6	Very high	95.9	Very high	39 Å²	39	23.2 Å²	23.2	27%	0.273	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.3	166.2	173.4	0	0	0	0	109	V439 H440	V439-S490 WeakPolarHBondContact O-CB 3.44Å; H440-S490 PolarHBondContact ND1-OG 2.86Å
491	L	97.1	Very high	95.8	Very high	11 Å²	11	20.3 Å²	20.3	6%	0.058	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	124.4	175.2	174.1	60.3	0	0	0	109.2	H493 L494 Y496 V543 I548 P570	L491-H493 PolarHBondContact O-N 3.31Å; L491-L494 PolarHBondContact N-O 3.38Å; L491-L494 PolarHBondContact O-N 3.36Å; L491-L494 VanDerWaalsContact O-N 3.14Å; L491-Y496 HydrophobicContact CB-CD2 4.23Å; L491-Y496 HydrophobicContact CB-CE2 3.95Å; L491-V543 HydrophobicContact CD1-CG1 3.76Å; L491-I548 HydrophobicContact CB-CD1 4.44Å; L491-I548 HydrophobicContact CB-CG1 4.5Å; L491-I548 HydrophobicContact CD2-CD1 3.94Å; L491-I548 HydrophobicContact CD2-CG1 3.55Å; L491-P570 HydrophobicContact CD2-CB 4.15Å; L491-P570 HydrophobicContact CD2-CG 3.94Å
492	R	94	Very high	95.8	Very high	121 Å²	121	20 Å²	20	46%	0.457	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	-122.5	-173.1	-55.8	172.3	178.9	-171.7	-7.4	110.7	D571	R492-D571 IonicContact CZ-OD1 3.46Å; R492-D571 IonicContact CZ-OD2 3.17Å; R492-D571 IonicContact NH1-OD1 2.72Å; R492-D571 PolarHBondContact NH1-OD1 2.82Å; R492-D571 IonicContact NH2-OD1 3.64Å; R492-D571 PolarHBondContact NH2-OD1 2.86Å; R492-D571 IonicContact NH2-OD2 3.13Å; R492-D571 PolarHBondContact NH2-OD2 3Å
493	H	94	Very high	95.6	Very high	74 Å²	74	20.4 Å²	20.4	34%	0.343	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	8.9	179.4	62.5	-81.6	0	0	0	113	H440 L491	H440-H493 VanDerWaalsContact CE1-C 3.42Å; L491-H493 PolarHBondContact O-N 3.31Å
494	L	97.1	Very high	95.1	Very high	14 Å²	14	24.6 Å²	24.6	7%	0.073	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	154.3	-170.2	-59.1	174.9	0	0	0	112.1	L491 Y496 F518 D520	L491-L494 PolarHBondContact N-O 3.38Å; L491-L494 PolarHBondContact O-N 3.36Å; L491-L494 VanDerWaalsContact O-N 3.14Å; L494-Y496 HydrophobicContact CB-CD2 4.37Å; L494-Y496 HydrophobicContact CB-CE2 3.76Å; L494-Y496 HydrophobicContact CD1-CE2 4.42Å; L494-F518 HydrophobicContact CB-CB 4.41Å; L494-F518 HydrophobicContact CB-CD2 4.38Å; L494-F518 HydrophobicContact CD1-CD2 3.65Å; L494-F518 HydrophobicContact CD1-CE2 3.8Å; L494-F518 HydrophobicContact CD1-CG 4.04Å; L494-F518 HydrophobicContact CD1-CZ 4.32Å; L494-F518 HydrophobicContact CD2-CD2 3.74Å; L494-F518 HydrophobicContact CD2-CE2 4.01Å; L494-F518 HydrophobicContact CG-CD2 4.12Å; L494-D520 HydrophobicContact CD2-CB 3.67Å
495	V	98.2	Very high	94.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113.1	173.4	-177.5	0	0	0	0	109.3	A438 H440 M488 A489 F518 F519 P521	A438-V495 HydrophobicContact CB-CG1 3.97Å; H440-V495 HydrophobicContact CB-CG2 3.58Å; M488-V495 HydrophobicContact CE-CG1 3.38Å; A489-V495 CarbonylContact O-C 3.54Å; A489-V495 WeakPolarHBondContact O-CA 3.22Å; V495-F518 CarbonylContact O-C 3.45Å; V495-F518 VanDerWaalsContact O-CA 3.28Å; V495-F518 WeakPolarHBondContact O-CA 3.5Å; V495-F519 HydrophobicContact CB-CB 4.4Å; V495-F519 PolarHBondContact N-O 3.48Å; V495-F519 PolarHBondContact O-N 3.12Å; V495-P521 HydrophobicContact CG2-CG 4.25Å
496	Y	98.1	Very high	93.7	Very high	13 Å²	13	36.6 Å²	36.6	5%	0.051	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	142.3	-178.4	-67.6	-101.9	0	0	0	110.8	M488 A489 L491 L494 E517 F518 I548 F568	M488-Y496 CarbonylContact C-O 3.33Å; M488-Y496 WeakPolarHBondContact CA-O 3.38Å; M488-Y496 WeakPolarHBondContact CB-O 3.31Å; A489-Y496 PolarHBondContact N-O 3.31Å; A489-Y496 PolarHBondContact O-N 3.44Å; L491-Y496 HydrophobicContact CB-CD2 4.23Å; L491-Y496 HydrophobicContact CB-CE2 3.95Å; L494-Y496 HydrophobicContact CB-CD2 4.37Å; L494-Y496 HydrophobicContact CB-CE2 3.76Å; L494-Y496 HydrophobicContact CD1-CE2 4.42Å; Y496-E517 CarbonylContact C-O 3.53Å; Y496-E517 WeakPolarHBondContact CA-O 3.28Å; Y496-F518 HydrophobicContact CD1-CB 3.72Å; Y496-F518 HydrophobicContact CD1-CD1 4.5Å; Y496-F518 HydrophobicContact CD2-CB 4.35Å; Y496-F518 HydrophobicContact CE1-CB 3.81Å; Y496-F518 AromaticContact CE1-CD1 3.95Å; Y496-F518 HydrophobicContact CE1-CD1 3.95Å; Y496-F518 HydrophobicContact CE1-CG 4.21Å; Y496-F518 HydrophobicContact CE2-CB 4.42Å; Y496-F518 HydrophobicContact CG-CB 3.99Å; Y496-I548 HydrophobicContact CD1-CD1 4.08Å; Y496-I548 HydrophobicContact CD2-CD1 3.81Å; Y496-I548 HydrophobicContact CE1-CD1 4.49Å; Y496-I548 HydrophobicContact CE2-CD1 4.26Å; Y496-I548 HydrophobicContact CG-CD1 3.72Å; Y496-F568 HydrophobicContact CE1-CD1 4.39Å; Y496-F568 AromaticContact CE1-CE1 3.73Å; Y496-F568 HydrophobicContact CE1-CE1 3.73Å; Y496-F568 HydrophobicContact CE1-CZ 4.42Å
497	A	97.8	Very high	93	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.2	165	0	0	0	0	0	108.4	M479 M488 A516 E517 W526	M479-A497 HydrophobicContact SD-CB 3.85Å; M488-A497 HydrophobicContact CG-CB 4.27Å; A497-A516 WeakPolarHBondContact O-CA 3.31Å; A497-E517 HydrophobicContact CB-CG 4.11Å; A497-E517 PolarHBondContact N-O 3.14Å; A497-E517 PolarHBondContact O-N 3.49Å; A497-W526 HydrophobicContact CB-CH2 3.9Å; A497-W526 HydrophobicContact CB-CZ3 3.8Å
498	I	97.4	Very high	92.2	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.8	-163.6	-62.9	160.4	0	0	0	109.7	H486 R487 A516 L532 L541 I548 V550 W575	H486-I498 WeakPolarHBondContact CB-O 3.36Å; R487-I498 PolarHBondContact N-O 3.5Å; R487-I498 PolarHBondContact O-N 3.28Å; I498-A516 HydrophobicContact CG1-CB 4.15Å; I498-L532 HydrophobicContact CG2-CD1 3.83Å; I498-L532 HydrophobicContact CG2-CD2 3.81Å; I498-L532 HydrophobicContact CG2-CG 4.01Å; I498-L541 HydrophobicContact CD1-CD1 3.82Å; I498-I548 HydrophobicContact CD1-CD1 3.91Å; I498-I548 HydrophobicContact CD1-CG2 3.86Å; I498-V550 HydrophobicContact CG2-CG2 4.06Å; I498-W575 HydrophobicContact CD1-CH2 4.16Å; I498-W575 HydrophobicContact CD1-CZ2 4.43Å; I498-W575 HydrophobicContact CG1-CZ2 4.47Å; I498-W575 HydrophobicContact CG2-CH2 3.94Å; I498-W575 HydrophobicContact CG2-CZ2 4.07Å
499	G	95	Very high	91.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.01	26%	0.262	C	S	.	.			trans	70	-145.2	170.7	0	0	0	0	0	114.2	R483 H486 I513	R483-G499 PolarHBondContact NH1-O 3.13Å; H486-G499 WeakPolarHBondContact CB-O 3.28Å; G499-I513 VanDerWaalsContact CA-O 3.31Å; G499-I513 WeakPolarHBondContact CA-O 3.45Å
500	G	94.6	Very high	91.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.01	27%	0.272	C	S	.	.			trans	88.6	-162.5	-174.9	0	0	0	0	0	112.9	G484 I513 S537	G484-G500 CarbonylContact O-C 3.53Å; G484-G500 WeakPolarHBondContact O-CA 3.42Å; G500-I513 PolarHBondContact O-N 3.11Å; G500-S537 PolarHBondContact O-OG 2.91Å; G500-S537 VanDerWaalsContact O-OG 3.12Å
501	S	93.5	Very high	90.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	154.9	-179.6	58.3	0	0	0	0	111.1	G484 R510 F511	G484-S501 PolarHBondContact N-O 3.3Å; G484-S501 PolarHBondContact O-N 2.87Å; S501-R510 WeakPolarHBondContact OG-CD 3.36Å; S501-F511 WeakPolarHBondContact CA-O 3.36Å; S501-F511 VanDerWaalsContact CB-O 3.26Å; S501-F511 WeakPolarHBondContact CB-O 3.35Å
502	D	92.1	Very high	90.7	Very high	27 Å²	27	50.6 Å²	50.6	14%	0.144	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	166.2	165.3	-160	5.6	0	0	0	109.7	Y457 R510 F511 I513	Y457-D502 HydrophobicContact CD2-CB 4.44Å; Y457-D502 WeakPolarHBondContact CD2-OD1 3.39Å; D502-R510 WeakPolarHBondContact O-CA 3.26Å; D502-F511 HydrophobicContact CB-CE1 3.77Å; D502-F511 HydrophobicContact CB-CE2 4.13Å; D502-F511 HydrophobicContact CB-CZ 3.56Å; D502-F511 PolarHBondContact N-O 3.25Å; D502-F511 VanDerWaalsContact N-O 3.11Å; D502-F511 VanDerWaalsContact O-CD1 3.22Å; D502-F511 WeakPolarHBondContact O-CD1 3.26Å; D502-F511 PolarHBondContact O-N 3.38Å; D502-I513 HydrophobicContact CB-CD1 3.92Å; D502-I513 HydrophobicContact CB-CG1 4.28Å
503	D	88.9	Confident	90.8	Very high	25 Å²	25	45.2 Å²	45.2	13%	0.134	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.1	175.9	-67.3	-14.8	0	0	0	109.2	Y457 A505 R510	Y457-D503 HydrophobicContact CD2-CB 4.44Å; Y457-D503 HydrophobicContact CE2-CB 4.35Å; Y457-D503 WeakPolarHBondContact CE2-OD1 3.45Å; D503-A505 PolarHBondContact O-N 3.29Å; D503-R510 WeakPolarHBondContact OD1-CA 3.4Å; D503-R510 VanDerWaalsContact OD1-CB 3.28Å; D503-R510 WeakPolarHBondContact OD1-CB 3.42Å; D503-R510 WeakPolarHBondContact OD1-CG 3.48Å; D503-R510 IonicContact OD1-CZ 3.78Å; D503-R510 IonicContact OD1-NE 3.67Å; D503-R510 PolarHBondContact OD1-NE 3.04Å; D503-R510 IonicContact OD1-NH2 3.51Å
504	H	84	Confident	90.9	Very high	89 Å²	89	44.9 Å²	44.9	41%	0.412	25%	0.252	S	S	.	.			trans	-61.7	128.3	173.6	-72.2	90.3	0	0	0	110.2	D506 T507 A508 E509 F511	H504-D506 PolarHBondContact O-N 2.86Å; H504-D506 VanDerWaalsContact O-N 3.14Å; H504-T507 VanDerWaalsContact CB-OG1 3.23Å; H504-T507 WeakPolarHBondContact CB-OG1 3.1Å; H504-T507 PolarHBondContact O-N 3.24Å; H504-A508 WeakPolarHBondContact O-CA 3.42Å; H504-A508 PolarHBondContact O-N 2.87Å; H504-E509 PolarHBondContact N-O 2.95Å; H504-E509 PolarHBondContact ND1-O 2.72Å; H504-F511 AromaticContact CE1-CD1 3.41Å; H504-F511 VanDerWaalsContact CE1-CD1 3.41Å; H504-F511 WeakPolarHBondContact CE1-CD1 3.38Å; H504-F511 AromaticContact CE1-CG 3.85Å; H504-F511 AromaticContact ND1-CD1 3.41Å; H504-F511 WeakPolarHBondContact ND1-CD1 3.38Å; H504-F511 AromaticContact NE2-CD1 3.99Å
505	A	79.1	Confident	90.8	Very high	105 Å²	105	47.8 Å²	47.8	87%	0.868	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-34.3	-175.4	0	0	0	0	0	113.7	D503	D503-A505 PolarHBondContact O-N 3.29Å
506	D	81.1	Confident	90.7	Very high	164 Å²	164	47.9 Å²	47.9	88%	0.877	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-36	-175	-60	-38.2	0	0	0	113.3	H504	H504-D506 PolarHBondContact O-N 2.86Å; H504-D506 VanDerWaalsContact O-N 3.14Å
507	T	81.9	Confident	90.6	Very high	91 Å²	91	47.3 Å²	47.3	56%	0.558	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-13.1	-172.2	62.2	0	0	0	0	113.8	H504 E509	H504-T507 VanDerWaalsContact CB-OG1 3.23Å; H504-T507 WeakPolarHBondContact CB-OG1 3.1Å; H504-T507 PolarHBondContact O-N 3.24Å; T507-E509 PolarHBondContact O-N 3.17Å; T507-E509 VanDerWaalsContact O-N 3.13Å; T507-E509 WeakPolarHBondContact OG1-CB 3.29Å; T507-E509 PolarHBondContact OG1-N 3.07Å
508	A	80.4	Confident	90.6	Very high	68 Å²	68	49.4 Å²	49.4	56%	0.562	27%	0.273	S	S	*	.			trans	54.1	20.2	-168	0	0	0	0	0	113.7	H504	H504-A508 WeakPolarHBondContact O-CA 3.42Å; H504-A508 PolarHBondContact O-N 2.87Å
509	E	84.5	Confident	90.7	Very high	130 Å²	130	49.2 Å²	49.2	61%	0.607	27%	0.272	S	S	*	.			trans	-81.2	129.4	176.1	-171.7	175.3	-168.3	0	0	109.9	H504 T507	H504-E509 PolarHBondContact N-O 2.95Å; H504-E509 PolarHBondContact ND1-O 2.72Å; T507-E509 PolarHBondContact O-N 3.17Å; T507-E509 VanDerWaalsContact O-N 3.13Å; T507-E509 WeakPolarHBondContact OG1-CB 3.29Å; T507-E509 PolarHBondContact OG1-N 3.07Å
510	R	88.3	Confident	90.8	Very high	66 Å²	66	50.7 Å²	50.7	25%	0.249	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	136	-176.2	-169.7	167.4	-67	167.6	7.5	112	Y457 S501 D502 D503 W556	Y457-R510 PolarHBondContact OH-NE 3.12Å; Y457-R510 PolarHBondContact OH-NH2 3.28Å; S501-R510 WeakPolarHBondContact OG-CD 3.36Å; D502-R510 WeakPolarHBondContact O-CA 3.26Å; D503-R510 WeakPolarHBondContact OD1-CA 3.4Å; D503-R510 VanDerWaalsContact OD1-CB 3.28Å; D503-R510 WeakPolarHBondContact OD1-CB 3.42Å; D503-R510 WeakPolarHBondContact OD1-CG 3.48Å; D503-R510 IonicContact OD1-CZ 3.78Å; D503-R510 IonicContact OD1-NE 3.67Å; D503-R510 PolarHBondContact OD1-NE 3.04Å; D503-R510 IonicContact OD1-NH2 3.51Å; R510-W556 HydrophobicContact CB-CB 4.5Å; R510-W556 HydrophobicContact CB-CD2 4.41Å; R510-W556 HydrophobicContact CB-CE3 4.38Å; R510-W556 HydrophobicContact CB-CG 4.44Å; R510-W556 HydrophobicContact CG-CB 4.13Å; R510-W556 HydrophobicContact CG-CD2 3.85Å; R510-W556 HydrophobicContact CG-CE3 4.28Å; R510-W556 HydrophobicContact CG-CG 3.73Å
511	F	91.2	Very high	90.7	Very high	55 Å²	55	51.9 Å²	51.9	24%	0.241	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158.6	176.1	66.7	-86.6	0	0	0	112.2	S501 D502 H504 I513	S501-F511 WeakPolarHBondContact CA-O 3.36Å; S501-F511 VanDerWaalsContact CB-O 3.26Å; S501-F511 WeakPolarHBondContact CB-O 3.35Å; D502-F511 HydrophobicContact CB-CE1 3.77Å; D502-F511 HydrophobicContact CB-CE2 4.13Å; D502-F511 HydrophobicContact CB-CZ 3.56Å; D502-F511 PolarHBondContact N-O 3.25Å; D502-F511 VanDerWaalsContact N-O 3.11Å; D502-F511 VanDerWaalsContact O-CD1 3.22Å; D502-F511 WeakPolarHBondContact O-CD1 3.26Å; D502-F511 PolarHBondContact O-N 3.38Å; H504-F511 AromaticContact CE1-CD1 3.41Å; H504-F511 VanDerWaalsContact CE1-CD1 3.41Å; H504-F511 WeakPolarHBondContact CE1-CD1 3.38Å; H504-F511 AromaticContact CE1-CG 3.85Å; H504-F511 AromaticContact ND1-CD1 3.41Å; H504-F511 WeakPolarHBondContact ND1-CD1 3.38Å; H504-F511 AromaticContact NE2-CD1 3.99Å; F511-I513 HydrophobicContact CE2-CG1 4.39Å
512	D	94.3	Very high	90.8	Very high	13 Å²	13	60.8 Å²	60.8	7%	0.07	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	135.4	-177.1	-72.3	-52.5	0	0	0	111.4	P535 S555 W556 E557	D512-P535 HydrophobicContact CB-CB 3.69Å; D512-P535 HydrophobicContact CB-CG 3.8Å; D512-P535 VanDerWaalsContact CG-CB 3.44Å; D512-P535 WeakPolarHBondContact OD2-CB 3.48Å; D512-S555 VanDerWaalsContact OD2-CA 3.27Å; D512-S555 WeakPolarHBondContact OD2-CA 3.4Å; D512-S555 WeakPolarHBondContact OD2-CB 3.3Å; D512-S555 PolarHBondContact OD2-OG 3.39Å; D512-W556 VanDerWaalsContact CG-N 3.31Å; D512-W556 PolarHBondContact OD1-N 2.61Å; D512-W556 PolarHBondContact OD2-N 2.84Å; D512-E557 PolarHBondContact OD2-N 3.05Å
513	I	95.3	Very high	90.9	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.041	33%	0.334	C	S	.	.			trans	-99.1	119.5	175.1	-52.7	170.1	0	0	0	109.3	V481 A482 R483 G499 G500 D502 F511 E515	V481-I513 HydrophobicContact CG1-CD1 4.06Å; A482-I513 VanDerWaalsContact O-CD1 3.26Å; A482-I513 WeakPolarHBondContact O-CD1 3.16Å; R483-I513 HydrophobicContact CB-CD1 4.22Å; R483-I513 HydrophobicContact CG-CD1 3.73Å; R483-I513 VanDerWaalsContact NH1-CG2 3.26Å; G499-I513 VanDerWaalsContact CA-O 3.31Å; G499-I513 WeakPolarHBondContact CA-O 3.45Å; G500-I513 PolarHBondContact O-N 3.11Å; D502-I513 HydrophobicContact CB-CD1 3.92Å; D502-I513 HydrophobicContact CB-CG1 4.28Å; F511-I513 HydrophobicContact CE2-CG1 4.39Å; I513-E515 HydrophobicContact CG2-CB 4.17Å
514	L	95.5	Very high	91.2	Very high	68 Å²	68	64.3 Å²	64.3	36%	0.356	34%	0.344	S	S	.	.			trans	-92.1	-25.2	172.8	-60.2	-178.2	0	0	0	113	A516 P531 L532 R534 P535	L514-A516 PolarHBondContact O-N 2.93Å; L514-P531 HydrophobicContact CB-CB 4.29Å; L514-P531 CarbonylContact O-C 3.53Å; L514-P531 VanDerWaalsContact O-CA 3.26Å; L514-P531 WeakPolarHBondContact O-CA 3.41Å; L514-P531 WeakPolarHBondContact O-CB 3.44Å; L514-L532 HydrophobicContact CD2-CB 4.24Å; L514-L532 PolarHBondContact O-N 3.34Å; L514-R534 VanDerWaalsContact CD2-C 3.44Å; L514-P535 HydrophobicContact CD2-CB 4.46Å; L514-P535 HydrophobicContact CD2-CG 4.01Å; L514-P535 VanDerWaalsContact CD2-N 3.34Å
515	E	94.9	Very high	91.8	Very high	74 Å²	74	65.8 Å²	65.8	35%	0.346	35%	0.351	S	S	.	.			trans	-59.3	131.3	-178.8	-64.1	-169.7	-173	0	0	110.6	R483 I513 R528	R483-E515 VanDerWaalsContact CZ-O 3.31Å; R483-E515 PolarHBondContact NH1-O 3.46Å; R483-E515 PolarHBondContact NH2-O 3.29Å; I513-E515 HydrophobicContact CG2-CB 4.17Å; E515-R528 IonicContact OE2-CZ 2.66Å; E515-R528 IonicContact OE2-NE 3.74Å; E515-R528 IonicContact OE2-NH2 3.5Å
516	A	96.3	Very high	92.7	Very high	3 Å²	3	62.9 Å²	62.9	3%	0.025	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	148.7	166.6	0	0	0	0	0	108.9	A497 I498 L514 A529	A497-A516 WeakPolarHBondContact O-CA 3.31Å; I498-A516 HydrophobicContact CG1-CB 4.15Å; L514-A516 PolarHBondContact O-N 2.93Å; A516-A529 HydrophobicContact CB-CB 4.05Å; A516-A529 PolarHBondContact O-N 3.17Å
517	E	97.4	Very high	93.5	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.6	176.8	57.1	-169.1	128.8	0	0	109.1	S480 R483 Y496 A497 W526 T527	S480-E517 WeakPolarHBondContact CB-OE2 3.48Å; S480-E517 PolarHBondContact N-OE2 3.15Å; S480-E517 PolarHBondContact OG-OE1 2.9Å; S480-E517 PolarHBondContact OG-OE2 2.77Å; R483-E517 IonicContact CZ-OE1 3.98Å; R483-E517 IonicContact NE-OE1 3.06Å; R483-E517 PolarHBondContact NE-OE1 2.95Å; R483-E517 IonicContact NH2-OE1 3.49Å; R483-E517 PolarHBondContact NH2-OE1 3.5Å; Y496-E517 CarbonylContact C-O 3.53Å; Y496-E517 WeakPolarHBondContact CA-O 3.28Å; A497-E517 HydrophobicContact CB-CG 4.11Å; A497-E517 PolarHBondContact N-O 3.14Å; A497-E517 PolarHBondContact O-N 3.49Å; E517-W526 HydrophobicContact CB-CE3 3.97Å; E517-W526 HydrophobicContact CB-CZ3 4.4Å; E517-W526 HydrophobicContact CG-CE3 3.57Å; E517-W526 HydrophobicContact CG-CZ3 3.7Å; E517-T527 CarbonylContact C-O 3.57Å; E517-T527 VanDerWaalsContact CA-O 3.28Å; E517-T527 WeakPolarHBondContact CA-O 3.44Å
518	F	97.5	Very high	94.2	Very high	43 Å²	43	62 Å²	62	19%	0.189	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.4	173.9	64.5	-100.7	0	0	0	111	L494 V495 Y496 W526 T527 A529	L494-F518 HydrophobicContact CB-CB 4.41Å; L494-F518 HydrophobicContact CB-CD2 4.38Å; L494-F518 HydrophobicContact CD1-CD2 3.65Å; L494-F518 HydrophobicContact CD1-CE2 3.8Å; L494-F518 HydrophobicContact CD1-CG 4.04Å; L494-F518 HydrophobicContact CD1-CZ 4.32Å; L494-F518 HydrophobicContact CD2-CD2 3.74Å; L494-F518 HydrophobicContact CD2-CE2 4.01Å; L494-F518 HydrophobicContact CG-CD2 4.12Å; V495-F518 CarbonylContact O-C 3.45Å; V495-F518 VanDerWaalsContact O-CA 3.28Å; V495-F518 WeakPolarHBondContact O-CA 3.5Å; Y496-F518 HydrophobicContact CD1-CB 3.72Å; Y496-F518 HydrophobicContact CD1-CD1 4.5Å; Y496-F518 HydrophobicContact CD2-CB 4.35Å; Y496-F518 HydrophobicContact CE1-CB 3.81Å; Y496-F518 AromaticContact CE1-CD1 3.95Å; Y496-F518 HydrophobicContact CE1-CD1 3.95Å; Y496-F518 HydrophobicContact CE1-CG 4.21Å; Y496-F518 HydrophobicContact CE2-CB 4.42Å; Y496-F518 HydrophobicContact CG-CB 3.99Å; F518-W526 CarbonylContact O-C 3.5Å; F518-W526 VanDerWaalsContact O-CA 3.31Å; F518-W526 WeakPolarHBondContact O-CA 3.46Å; F518-T527 HydrophobicContact CE1-CG2 3.97Å; F518-T527 HydrophobicContact CE2-CG2 4.2Å; F518-T527 VanDerWaalsContact CZ-CB 3.43Å; F518-T527 HydrophobicContact CZ-CG2 3.57Å; F518-T527 PolarHBondContact N-O 3.17Å; F518-T527 PolarHBondContact O-N 3.22Å; F518-A529 HydrophobicContact CD1-CB 4.12Å
519	F	98.2	Very high	94.9	Very high	1 Å²	1	59.9 Å²	59.9	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.8	176	178.6	-111.7	0	0	0	109.1	Y445 P477 V495 P521 D524 Q525 W526	Y445-F519 HydrophobicContact CD1-CE1 4.35Å; Y445-F519 HydrophobicContact CE1-CD1 4.45Å; Y445-F519 AromaticContact CE1-CE1 3.85Å; Y445-F519 HydrophobicContact CE1-CE1 3.85Å; P477-F519 HydrophobicContact CB-CE2 4.46Å; P477-F519 HydrophobicContact CG-CE2 4.29Å; V495-F519 HydrophobicContact CB-CB 4.4Å; V495-F519 PolarHBondContact N-O 3.48Å; V495-F519 PolarHBondContact O-N 3.12Å; F519-P521 HydrophobicContact CD1-CB 4.47Å; F519-P521 HydrophobicContact CD1-CG 3.91Å; F519-P521 HydrophobicContact CE1-CB 3.97Å; F519-P521 HydrophobicContact CE1-CG 3.9Å; F519-P521 WeakPolarHBondContact O-CD 3.47Å; F519-D524 VanDerWaalsContact CZ-OD1 3.23Å; F519-D524 WeakPolarHBondContact CZ-OD1 3.43Å; F519-Q525 WeakPolarHBondContact CA-O 3.48Å; F519-W526 HydrophobicContact CB-CD2 3.77Å; F519-W526 HydrophobicContact CB-CE3 3.77Å; F519-W526 HydrophobicContact CB-CH2 3.68Å; F519-W526 HydrophobicContact CB-CZ2 3.66Å; F519-W526 HydrophobicContact CB-CZ3 3.73Å; F519-W526 AromaticContact CD2-CD1 3.88Å; F519-W526 HydrophobicContact CD2-CD2 4.14Å; F519-W526 AromaticContact CD2-CE2 3.8Å; F519-W526 HydrophobicContact CD2-CG 4.2Å; F519-W526 HydrophobicContact CD2-CZ2 4.32Å; F519-W526 AromaticContact CD2-NE1 3.61Å; F519-W526 HydrophobicContact CG-CD2 4.4Å; F519-W526 HydrophobicContact CG-CZ2 4.13Å
520	D	97.1	Very high	95.4	Very high	32 Å²	32	55 Å²	55	17%	0.171	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	108.8	167.3	-176.3	-11.6	0	0	0	109.2	L494 R522 S523 D524 Q525	L494-D520 HydrophobicContact CD2-CB 3.67Å; D520-R522 PolarHBondContact O-N 2.84Å; D520-R522 VanDerWaalsContact O-N 3.11Å; D520-R522 VanDerWaalsContact OD1-CB 3.25Å; D520-R522 WeakPolarHBondContact OD1-CB 3.25Å; D520-R522 PolarHBondContact OD1-N 2.93Å; D520-S523 PolarHBondContact O-N 2.78Å; D520-D524 WeakPolarHBondContact O-CA 3.39Å; D520-D524 PolarHBondContact O-N 2.93Å; D520-Q525 PolarHBondContact N-O 2.77Å
521	P	94.3	Very high	95.8	Very high	27 Å²	27	55.5 Å²	55.5	18%	0.175	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.3	179.1	-22.2	34.8	0	0	0	114.7	V495 F519	V495-P521 HydrophobicContact CG2-CG 4.25Å; F519-P521 HydrophobicContact CD1-CB 4.47Å; F519-P521 HydrophobicContact CD1-CG 3.91Å; F519-P521 HydrophobicContact CE1-CB 3.97Å; F519-P521 HydrophobicContact CE1-CG 3.9Å; F519-P521 WeakPolarHBondContact O-CD 3.47Å
522	R	93.8	Very high	96.1	Very high	187 Å²	187	53.2 Å²	53.2	71%	0.706	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-41.3	178.6	-61	175.1	173.3	169.9	-1.4	111.9	D520	D520-R522 PolarHBondContact O-N 2.84Å; D520-R522 VanDerWaalsContact O-N 3.11Å; D520-R522 VanDerWaalsContact OD1-CB 3.25Å; D520-R522 WeakPolarHBondContact OD1-CB 3.25Å; D520-R522 PolarHBondContact OD1-N 2.93Å
523	S	95.2	Very high	96.2	Very high	59 Å²	59	56.4 Å²	56.4	41%	0.413	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-12.6	177.7	66.9	0	0	0	0	113.3	D520 Q525	D520-S523 PolarHBondContact O-N 2.78Å; S523-Q525 VanDerWaalsContact C-N 3.32Å
524	D	95	Very high	96.2	Very high	66 Å²	66	63.5 Å²	63.5	35%	0.353	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	45.7	-175	-147.7	42.9	0	0	0	110.3	R476 P477 F519 D520	R476-D524 IonicContact NH1-OD1 3.98Å; P477-D524 WeakPolarHBondContact CD-OD1 3.31Å; P477-D524 VanDerWaalsContact CD-OD2 3.23Å; P477-D524 WeakPolarHBondContact CD-OD2 3.43Å; P477-D524 HydrophobicContact CG-CB 4.16Å; P477-D524 VanDerWaalsContact CG-O 3.3Å; P477-D524 WeakPolarHBondContact CG-O 3.26Å; P477-D524 WeakPolarHBondContact CG-OD2 3.48Å; F519-D524 VanDerWaalsContact CZ-OD1 3.23Å; F519-D524 WeakPolarHBondContact CZ-OD1 3.43Å; D520-D524 WeakPolarHBondContact O-CA 3.39Å; D520-D524 PolarHBondContact O-N 2.93Å
525	Q	96.6	Very high	96	Very high	121 Å²	121	61.5 Å²	61.5	57%	0.565	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.3	-177	-70.9	-176.9	-6.9	0	0	113	F519 D520 S523	F519-Q525 WeakPolarHBondContact CA-O 3.48Å; D520-Q525 PolarHBondContact N-O 2.77Å; S523-Q525 VanDerWaalsContact C-N 3.32Å
526	W	98	Very high	95.8	Very high	43 Å²	43	58.2 Å²	58.2	16%	0.163	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.5	170.5	-72.8	94.9	0	0	0	110.9	V461 P477 P478 M479 A497 E517 F518 F519	V461-W526 HydrophobicContact CG1-CZ2 4.48Å; V461-W526 HydrophobicContact CG2-CZ2 3.74Å; P477-W526 PolarHBondContact O-NE1 3.19Å; P478-W526 PolarHBondContact O-NE1 2.86Å; M479-W526 HydrophobicContact CG-CD2 4.48Å; M479-W526 HydrophobicContact CG-CH2 3.83Å; M479-W526 HydrophobicContact CG-CZ2 3.62Å; M479-W526 HydrophobicContact CG-CZ3 4.35Å; M479-W526 HydrophobicContact SD-CH2 4.43Å; A497-W526 HydrophobicContact CB-CH2 3.9Å; A497-W526 HydrophobicContact CB-CZ3 3.8Å; E517-W526 HydrophobicContact CB-CE3 3.97Å; E517-W526 HydrophobicContact CB-CZ3 4.4Å; E517-W526 HydrophobicContact CG-CE3 3.57Å; E517-W526 HydrophobicContact CG-CZ3 3.7Å; F518-W526 CarbonylContact O-C 3.5Å; F518-W526 VanDerWaalsContact O-CA 3.31Å; F518-W526 WeakPolarHBondContact O-CA 3.46Å; F519-W526 HydrophobicContact CB-CD2 3.77Å; F519-W526 HydrophobicContact CB-CE3 3.77Å; F519-W526 HydrophobicContact CB-CH2 3.68Å; F519-W526 HydrophobicContact CB-CZ2 3.66Å; F519-W526 HydrophobicContact CB-CZ3 3.73Å; F519-W526 AromaticContact CD2-CD1 3.88Å; F519-W526 HydrophobicContact CD2-CD2 4.14Å; F519-W526 AromaticContact CD2-CE2 3.8Å; F519-W526 HydrophobicContact CD2-CG 4.2Å; F519-W526 HydrophobicContact CD2-CZ2 4.32Å; F519-W526 AromaticContact CD2-NE1 3.61Å; F519-W526 HydrophobicContact CG-CD2 4.4Å; F519-W526 HydrophobicContact CG-CZ2 4.13Å
527	T	97.3	Very high	95.6	Very high	69 Å²	69	58.1 Å²	58.1	42%	0.423	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.6	174.8	-57.6	0	0	0	0	109.6	E517 F518	E517-T527 CarbonylContact C-O 3.57Å; E517-T527 VanDerWaalsContact CA-O 3.28Å; E517-T527 WeakPolarHBondContact CA-O 3.44Å; F518-T527 HydrophobicContact CE1-CG2 3.97Å; F518-T527 HydrophobicContact CE2-CG2 4.2Å; F518-T527 VanDerWaalsContact CZ-CB 3.43Å; F518-T527 HydrophobicContact CZ-CG2 3.57Å; F518-T527 PolarHBondContact N-O 3.17Å; F518-T527 PolarHBondContact O-N 3.22Å
528	R	96.6	Very high	95.5	Very high	168 Å²	168	58.8 Å²	58.8	63%	0.634	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	137.8	176.6	-70.6	-177.3	171.3	-174.1	-8.9	111	E515	E515-R528 IonicContact OE2-CZ 2.66Å; E515-R528 IonicContact OE2-NE 3.74Å; E515-R528 IonicContact OE2-NH2 3.5Å
529	A	95.5	Very high	95.4	Very high	23 Å²	23	56.8 Å²	56.8	19%	0.19	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	174.5	171.3	0	0	0	0	0	110.3	A516 F518	A516-A529 HydrophobicContact CB-CB 4.05Å; A516-A529 PolarHBondContact O-N 3.17Å; F518-A529 HydrophobicContact CD1-CB 4.12Å
530	A	96.3	Very high	95.3	Very high	27 Å²	27	56.8 Å²	56.8	22%	0.223	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-58.9	136.9	172.2	0	0	0	0	0	110.5	F568 G573 W575	A530-F568 HydrophobicContact CB-CE2 4.17Å; A530-G573 WeakPolarHBondContact CB-O 3.25Å; A530-W575 PolarHBondContact O-NE1 3.08Å
531	P	96.6	Very high	95.4	Very high	77 Å²	77	56.4 Å²	56.4	50%	0.5	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-72	153.7	178.7	31	-35.3	0	0	0	111.3	L514 W575	L514-P531 HydrophobicContact CB-CB 4.29Å; L514-P531 CarbonylContact O-C 3.53Å; L514-P531 VanDerWaalsContact O-CA 3.26Å; L514-P531 WeakPolarHBondContact O-CA 3.41Å; L514-P531 WeakPolarHBondContact O-CB 3.44Å; P531-W575 PolarHBondContact O-NE1 3Å
532	L	96.6	Very high	95.5	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.037	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-58.3	150.2	172.1	-70.7	166	0	0	0	111.4	I498 L514 R534 V550 W575	I498-L532 HydrophobicContact CG2-CD1 3.83Å; I498-L532 HydrophobicContact CG2-CD2 3.81Å; I498-L532 HydrophobicContact CG2-CG 4.01Å; L514-L532 HydrophobicContact CD2-CB 4.24Å; L514-L532 PolarHBondContact O-N 3.34Å; L532-R534 VanDerWaalsContact C-N 3.34Å; L532-R534 WeakPolarHBondContact CB-O 3.38Å; L532-V550 HydrophobicContact CD2-CG2 4.22Å; L532-W575 HydrophobicContact CD2-CD2 4.03Å; L532-W575 HydrophobicContact CD2-CE3 3.95Å; L532-W575 HydrophobicContact CD2-CH2 3.59Å; L532-W575 HydrophobicContact CD2-CZ2 3.65Å; L532-W575 HydrophobicContact CD2-CZ3 3.74Å; L532-W575 HydrophobicContact CG-CZ2 4.39Å
533	L	96.2	Very high	95.7	Very high	81 Å²	81	48.9 Å²	48.9	42%	0.424	25%	0.253	S	S	.	.	S	Bend	trans	-74.6	-28.4	176.1	-55	175.1	0	0	0	112.3	W575	L533-W575 HydrophobicContact CD1-CB 4.19Å; L533-W575 HydrophobicContact CD2-CB 4.1Å; L533-W575 HydrophobicContact CG-CB 3.8Å
534	R	94.6	Very high	95.7	Very high	156 Å²	156	47.8 Å²	47.8	59%	0.589	24%	0.24	S	C	*	.	S	Bend	trans	-143.7	151.7	-178.1	-65	-66.3	-176.9	-130.7	5.5	110.1	L514 L532 Q566	L514-R534 VanDerWaalsContact CD2-C 3.44Å; L532-R534 VanDerWaalsContact C-N 3.34Å; L532-R534 WeakPolarHBondContact CB-O 3.38Å; R534-Q566 PolarHBondContact O-NE2 3.01Å
535	P	92.9	Very high	95.5	Very high	27 Å²	27	47.9 Å²	47.9	18%	0.175	25%	0.25	C	S	.	.			trans	-52.7	149.9	167.6	-27.7	36.8	0	0	0	112.3	D512 L514	D512-P535 HydrophobicContact CB-CB 3.69Å; D512-P535 HydrophobicContact CB-CG 3.8Å; D512-P535 VanDerWaalsContact CG-CB 3.44Å; D512-P535 WeakPolarHBondContact OD2-CB 3.48Å; L514-P535 HydrophobicContact CD2-CB 4.46Å; L514-P535 HydrophobicContact CD2-CG 4.01Å; L514-P535 VanDerWaalsContact CD2-N 3.34Å
536	G	89.3	Confident	95.4	Very high	5 Å²	5	45.8 Å²	45.8	5%	0.052	25%	0.248	C	C	.	.			trans	-159.5	37.6	-173.6	0	0	0	0	0	113	A539	G536-A539 WeakPolarHBondContact O-CB 3.46Å; G536-A539 PolarHBondContact O-N 2.94Å
537	S	93.2	Very high	95.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-54.1	142.6	169	-65.3	0	0	0	0	108.9	G500 A539 G553 Y554	G500-S537 PolarHBondContact O-OG 2.91Å; G500-S537 VanDerWaalsContact O-OG 3.12Å; S537-A539 PolarHBondContact O-N 3.35Å; S537-G553 CarbonylContact O-C 3.52Å; S537-G553 WeakPolarHBondContact O-CA 3.5Å; S537-Y554 WeakPolarHBondContact CB-O 3.33Å; S537-Y554 PolarHBondContact N-O 3.49Å; S537-Y554 VanDerWaalsContact N-O 3.13Å; S537-Y554 PolarHBondContact O-N 2.79Å
538	E	94.3	Very high	95.4	Very high	15 Å²	15	45.3 Å²	45.3	7%	0.07	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	10.5	178.5	-58.3	170.8	-159.8	0	0	116	H335 W485 R487 A586 G587	H335-E538 IonicContact CE1-OE2 3.29Å; H335-E538 PolarHBondContact CE1-OE2 2.9Å; H335-E538 IonicContact NE2-OE1 3.06Å; H335-E538 IonicContact NE2-OE2 3.57Å; H335-E538 PolarHBondContact NE2-OE2 3.07Å; H335-E538 VanDerWaalsContact NE2-OE2 3.16Å; W485-E538 HydrophobicContact CB-CG 3.87Å; W485-E538 VanDerWaalsContact CD1-CG 3.48Å; W485-E538 HydrophobicContact CG-CG 3.98Å; W485-E538 PolarHBondContact O-N 3.11Å; R487-E538 VanDerWaalsContact NH2-CA 3.34Å; R487-E538 PolarHBondContact NH2-O 3.24Å; E538-A586 HydrophobicContact CB-CB 4.27Å; E538-G587 PolarHBondContact O-N 3.22Å
539	A	96.3	Very high	95.4	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	21%	0.213	C	C	.	.			trans	-64.8	153.8	-179.1	0	0	0	0	0	112.8	R487 G536 S537 V550	R487-A539 PolarHBondContact NE-O 3.26Å; R487-A539 PolarHBondContact NH2-O 3.11Å; G536-A539 WeakPolarHBondContact O-CB 3.46Å; G536-A539 PolarHBondContact O-N 2.94Å; S537-A539 PolarHBondContact O-N 3.35Å; A539-V550 HydrophobicContact CB-CG1 3.57Å
540	G	96.8	Very high	95.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	139.9	163.2	0	0	0	0	0	109.7	V550 L551 A588	G540-V550 CarbonylContact O-C 3.55Å; G540-V550 WeakPolarHBondContact O-CA 3.45Å; G540-L551 PolarHBondContact N-O 2.83Å; G540-L551 PolarHBondContact O-N 2.86Å; G540-A588 WeakPolarHBondContact CA-O 3.37Å
541	L	97.4	Very high	95.6	Very high	24 Å²	24	36.1 Å²	36.1	13%	0.126	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.8	174.4	-175.9	148.4	0	0	0	111.1	R487 A489 I498 I548 Y549 V550	R487-L541 HydrophobicContact CB-CB 3.79Å; R487-L541 HydrophobicContact CB-CD1 3.49Å; R487-L541 VanDerWaalsContact CB-CD1 3.49Å; R487-L541 HydrophobicContact CB-CG 4.18Å; R487-L541 HydrophobicContact CG-CB 3.86Å; R487-L541 HydrophobicContact CG-CD1 4.4Å; A489-L541 HydrophobicContact CB-CD1 4.27Å; A489-L541 HydrophobicContact CB-CD2 3.48Å; A489-L541 VanDerWaalsContact CB-CD2 3.48Å; I498-L541 HydrophobicContact CD1-CD1 3.82Å; L541-I548 HydrophobicContact CD1-CG2 3.85Å; L541-I548 HydrophobicContact CD2-CG2 4.31Å; L541-I548 HydrophobicContact CG-CG2 4.05Å; L541-Y549 WeakPolarHBondContact CA-O 3.36Å; L541-V550 HydrophobicContact CD1-CG2 4.2Å
542	A	97.4	Very high	95.6	Very high	8 Å²	8	32.5 Å²	32.5	7%	0.066	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	157.2	169.4	0	0	0	0	0	111.5	L295 Y549 A590 V592	L295-A542 HydrophobicContact CD1-CB 3.49Å; L295-A542 VanDerWaalsContact CD1-CB 3.49Å; A542-Y549 PolarHBondContact N-O 3.32Å; A542-Y549 VanDerWaalsContact N-O 3.13Å; A542-Y549 PolarHBondContact O-N 3.16Å; A542-A590 HydrophobicContact CB-CB 4.06Å; A542-V592 HydrophobicContact CB-CG2 4.33Å
543	V	97.1	Very high	95.5	Very high	49 Å²	49	32.1 Å²	32.1	30%	0.297	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.2	174.3	178.8	0	0	0	0	108.3	A489 L491 R547 I548 V592	A489-V543 HydrophobicContact CB-CG2 3.95Å; L491-V543 HydrophobicContact CD1-CG1 3.76Å; V543-R547 CarbonylContact C-O 3.54Å; V543-R547 VanDerWaalsContact CA-O 3.32Å; V543-R547 WeakPolarHBondContact CA-O 3.31Å; V543-I548 HydrophobicContact CG2-CG1 4.33Å; V543-V592 WeakPolarHBondContact O-CG2 3.14Å
544	W	95.4	Very high	95.3	Very high	36 Å²	36	30.3 Å²	30.3	14%	0.136	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.2	-178.1	-175	51.1	0	0	0	109.9	E293 L295 L316 S546 R547 Y549 V592	E293-W544 PolarHBondContact O-NE1 2.77Å; L295-W544 HydrophobicContact CB-CB 4.44Å; L295-W544 HydrophobicContact CB-CD2 3.97Å; L295-W544 HydrophobicContact CB-CE3 3.95Å; L295-W544 HydrophobicContact CB-CG 4.19Å; L295-W544 HydrophobicContact CD2-CE3 4.46Å; L316-W544 HydrophobicContact CD2-CE3 4.41Å; L316-W544 HydrophobicContact CD2-CH2 4.47Å; L316-W544 HydrophobicContact CD2-CZ3 3.74Å; L316-W544 HydrophobicContact CG-CZ3 4.4Å; W544-S546 PolarHBondContact O-N 2.78Å; W544-S546 VanDerWaalsContact O-N 3.17Å; W544-R547 PolarHBondContact N-O 2.88Å; W544-R547 PolarHBondContact O-N 2.82Å; W544-Y549 HydrophobicContact CB-CD2 4.08Å; W544-Y549 HydrophobicContact CB-CE2 4Å; W544-Y549 HydrophobicContact CE3-CE1 4.31Å; W544-Y549 AromaticContact CE3-CE2 3.97Å; W544-Y549 HydrophobicContact CE3-CE2 3.97Å; W544-Y549 AromaticContact CE3-CZ 3.75Å; W544-Y549 WeakPolarHBondContact O-CE2 3.28Å; W544-V592 HydrophobicContact CB-CG2 3.62Å; W544-V592 HydrophobicContact CG-CG2 3.98Å
545	A	91.9	Very high	95.3	Very high	68 Å²	68	23.5 Å²	23.5	56%	0.562	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	44.5	-179.2	0	0	0	0	0	113.6	R547	A545-R547 PolarHBondContact O-N 2.82Å
546	S	94.5	Very high	95.1	Very high	76 Å²	76	25.4 Å²	25.4	53%	0.531	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	18.8	-178	-57	0	0	0	0	116.3	W544 P570	W544-S546 PolarHBondContact O-N 2.78Å; W544-S546 VanDerWaalsContact O-N 3.17Å; S546-P570 WeakPolarHBondContact O-CD 3.41Å; S546-P570 WeakPolarHBondContact O-CG 3.49Å
547	R	96.6	Very high	95.1	Very high	103 Å²	103	31.8 Å²	31.8	39%	0.389	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	155.2	178.5	-66.4	177.6	173.1	161.4	-2.7	111.2	V543 W544 A545 Y549 V567 F568 D569	V543-R547 CarbonylContact C-O 3.54Å; V543-R547 VanDerWaalsContact CA-O 3.32Å; V543-R547 WeakPolarHBondContact CA-O 3.31Å; W544-R547 PolarHBondContact N-O 2.88Å; W544-R547 PolarHBondContact O-N 2.82Å; A545-R547 PolarHBondContact O-N 2.82Å; R547-Y549 HydrophobicContact CB-CD2 4.44Å; R547-Y549 HydrophobicContact CB-CE2 3.85Å; R547-V567 HydrophobicContact CB-CG1 3.9Å; R547-V567 HydrophobicContact CG-CG1 4.44Å; R547-F568 WeakPolarHBondContact CA-O 3.38Å; R547-F568 WeakPolarHBondContact CB-O 3.32Å; R547-D569 IonicContact CZ-OD2 3.34Å; R547-D569 VanDerWaalsContact CZ-OD2 3.23Å; R547-D569 IonicContact NE-OD2 2.83Å; R547-D569 PolarHBondContact NE-OD2 3.22Å; R547-D569 IonicContact NH2-OD2 3.65Å; R547-D569 PolarHBondContact NH2-OD2 3.14Å
548	I	97.9	Very high	94.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.2	176.2	-48.2	-178.5	0	0	0	108.8	A489 L491 Y496 I498 L541 V543 V567 F568	A489-I548 HydrophobicContact CB-CD1 4.25Å; A489-I548 HydrophobicContact CB-CG2 4.33Å; L491-I548 HydrophobicContact CB-CD1 4.44Å; L491-I548 HydrophobicContact CB-CG1 4.5Å; L491-I548 HydrophobicContact CD2-CD1 3.94Å; L491-I548 HydrophobicContact CD2-CG1 3.55Å; Y496-I548 HydrophobicContact CD1-CD1 4.08Å; Y496-I548 HydrophobicContact CD2-CD1 3.81Å; Y496-I548 HydrophobicContact CE1-CD1 4.49Å; Y496-I548 HydrophobicContact CE2-CD1 4.26Å; Y496-I548 HydrophobicContact CG-CD1 3.72Å; I498-I548 HydrophobicContact CD1-CD1 3.91Å; I498-I548 HydrophobicContact CD1-CG2 3.86Å; L541-I548 HydrophobicContact CD1-CG2 3.85Å; L541-I548 HydrophobicContact CD2-CG2 4.31Å; L541-I548 HydrophobicContact CG-CG2 4.05Å; V543-I548 HydrophobicContact CG2-CG1 4.33Å; I548-V567 CarbonylContact O-C 3.51Å; I548-V567 VanDerWaalsContact O-CA 3.32Å; I548-V567 WeakPolarHBondContact O-CA 3.43Å; I548-F568 HydrophobicContact CB-CB 4.11Å; I548-F568 HydrophobicContact CD1-CD1 4.12Å; I548-F568 HydrophobicContact CG1-CD1 4.37Å; I548-F568 PolarHBondContact N-O 2.71Å; I548-F568 VanDerWaalsContact N-O 3.14Å; I548-F568 PolarHBondContact O-N 3.03Å
549	Y	97.7	Very high	94.6	Very high	21 Å²	21	38 Å²	38	8%	0.082	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.5	176.6	-72	-105.8	0	0	0	109.6	L295 L541 A542 W544 R547 T565 V567	L295-Y549 HydrophobicContact CD2-CD1 3.63Å; L295-Y549 HydrophobicContact CD2-CD2 4.43Å; L295-Y549 HydrophobicContact CD2-CE1 4.25Å; L295-Y549 HydrophobicContact CD2-CG 3.75Å; L541-Y549 WeakPolarHBondContact CA-O 3.36Å; A542-Y549 PolarHBondContact N-O 3.32Å; A542-Y549 VanDerWaalsContact N-O 3.13Å; A542-Y549 PolarHBondContact O-N 3.16Å; W544-Y549 HydrophobicContact CB-CD2 4.08Å; W544-Y549 HydrophobicContact CB-CE2 4Å; W544-Y549 HydrophobicContact CE3-CE1 4.31Å; W544-Y549 AromaticContact CE3-CE2 3.97Å; W544-Y549 HydrophobicContact CE3-CE2 3.97Å; W544-Y549 AromaticContact CE3-CZ 3.75Å; W544-Y549 WeakPolarHBondContact O-CE2 3.28Å; R547-Y549 HydrophobicContact CB-CD2 4.44Å; R547-Y549 HydrophobicContact CB-CE2 3.85Å; Y549-T565 HydrophobicContact CD1-CG2 4Å; Y549-V567 HydrophobicContact CD1-CG1 4.4Å; Y549-V567 HydrophobicContact CD1-CG2 3.62Å; Y549-V567 HydrophobicContact CD2-CG1 4.42Å; Y549-V567 HydrophobicContact CE1-CB 4.42Å; Y549-V567 HydrophobicContact CE1-CG1 4.03Å; Y549-V567 HydrophobicContact CE1-CG2 3.49Å; Y549-V567 VanDerWaalsContact CE1-CG2 3.49Å; Y549-V567 HydrophobicContact CE2-CG1 4.04Å; Y549-V567 HydrophobicContact CG-CG2 4.37Å
550	V	97.8	Very high	94.4	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.024	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.1	171.5	178.2	0	0	0	0	107.9	I498 L532 A539 G540 L541 T565 Q566 W575	I498-V550 HydrophobicContact CG2-CG2 4.06Å; L532-V550 HydrophobicContact CD2-CG2 4.22Å; A539-V550 HydrophobicContact CB-CG1 3.57Å; G540-V550 CarbonylContact O-C 3.55Å; G540-V550 WeakPolarHBondContact O-CA 3.45Å; L541-V550 HydrophobicContact CD1-CG2 4.2Å; V550-T565 CarbonylContact O-C 3.54Å; V550-T565 WeakPolarHBondContact O-CA 3.33Å; V550-Q566 HydrophobicContact CB-CB 4.31Å; V550-Q566 PolarHBondContact N-O 3.45Å; V550-Q566 PolarHBondContact O-N 2.91Å; V550-W575 HydrophobicContact CB-CZ3 4.4Å; V550-W575 HydrophobicContact CG2-CH2 3.76Å; V550-W575 HydrophobicContact CG2-CZ3 3.72Å
551	L	97.1	Very high	94.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	111.4	-166	-55.1	-175.4	0	0	0	110.5	L295 L297 W323 G540 T565 L581 A590	L295-L551 HydrophobicContact CD1-CD1 4.29Å; L295-L551 HydrophobicContact CD2-CD1 4.17Å; L295-L551 HydrophobicContact CD2-CD2 4.3Å; L295-L551 HydrophobicContact CG-CD1 4.33Å; L297-L551 HydrophobicContact CB-CD1 4.3Å; L297-L551 HydrophobicContact CD1-CB 4.14Å; L297-L551 HydrophobicContact CD1-CD1 3.96Å; W323-L551 HydrophobicContact CH2-CD1 3.62Å; W323-L551 HydrophobicContact CH2-CD2 4.43Å; W323-L551 HydrophobicContact CZ2-CD1 3.98Å; W323-L551 HydrophobicContact CZ2-CD2 3.95Å; G540-L551 PolarHBondContact N-O 2.83Å; G540-L551 PolarHBondContact O-N 2.86Å; L551-T565 HydrophobicContact CD2-CG2 3.53Å; L551-T565 WeakPolarHBondContact CD2-OG1 3.42Å; L551-L581 HydrophobicContact CB-CD1 4.23Å; L551-L581 HydrophobicContact CB-CD2 4.36Å; L551-A590 HydrophobicContact CD1-CB 3.77Å
552	G	95.9	Very high	94.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.233	C	C	.	.			trans	69.3	-136.5	177.7	0	0	0	0	0	112.3	S562 V564	G552-S562 WeakPolarHBondContact CA-O 3.22Å; G552-V564 PolarHBondContact N-O 3.16Å
553	G	94.8	Very high	94	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.			trans	108.9	174.1	-178.9	0	0	0	0	0	113.9	S537 S562 T585	S537-G553 CarbonylContact O-C 3.52Å; S537-G553 WeakPolarHBondContact O-CA 3.5Å; G553-S562 WeakPolarHBondContact O-CB 3.38Å; G553-S562 PolarHBondContact O-N 3.4Å; G553-T585 PolarHBondContact N-O 3.07Å
554	Y	93.6	Very high	93.9	Very high	43 Å²	43	43.5 Å²	43.5	17%	0.169	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	142.1	175.9	-166.4	-106.8	0	0	0	110.5	S537 W556 A559 F561	S537-Y554 WeakPolarHBondContact CB-O 3.33Å; S537-Y554 PolarHBondContact N-O 3.49Å; S537-Y554 VanDerWaalsContact N-O 3.13Å; S537-Y554 PolarHBondContact O-N 2.79Å; Y554-W556 AromaticContact CD1-CD2 3.66Å; Y554-W556 HydrophobicContact CD1-CD2 3.66Å; Y554-W556 AromaticContact CD1-CE2 3.68Å; Y554-W556 HydrophobicContact CD1-CE3 4.16Å; Y554-W556 AromaticContact CD1-CG 3.91Å; Y554-W556 HydrophobicContact CD1-CG 3.91Å; Y554-W556 HydrophobicContact CD1-CZ2 4.14Å; Y554-W556 AromaticContact CD1-NE1 3.93Å; Y554-W556 AromaticContact CE1-CD2 3.6Å; Y554-W556 HydrophobicContact CE1-CD2 3.6Å; Y554-W556 AromaticContact CE1-CE3 3.62Å; Y554-W556 HydrophobicContact CE1-CE3 3.62Å; Y554-W556 HydrophobicContact CE1-CG 4.06Å; Y554-W556 HydrophobicContact CE1-CH2 4.34Å; Y554-W556 HydrophobicContact CE1-CZ2 4.35Å; Y554-W556 HydrophobicContact CE1-CZ3 4.01Å; Y554-A559 WeakPolarHBondContact OH-CA 3.06Å; Y554-A559 WeakPolarHBondContact OH-CB 3.41Å; Y554-F561 AromaticContact CD2-CD1 3.4Å; Y554-F561 HydrophobicContact CD2-CD1 3.4Å; Y554-F561 AromaticContact CD2-CE1 3.42Å; Y554-F561 HydrophobicContact CD2-CE1 3.42Å; Y554-F561 VanDerWaalsContact CD2-CE1 3.42Å; Y554-F561 AromaticContact CE2-CD1 3.76Å; Y554-F561 HydrophobicContact CE2-CD1 3.76Å; Y554-F561 AromaticContact CE2-CE1 3.65Å; Y554-F561 HydrophobicContact CE2-CE1 3.65Å
555	S	94.2	Very high	93.9	Very high	13 Å²	13	41.8 Å²	41.8	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.2	163.4	168.4	0	0	0	0	108.7	D512 S558 A559 A560	D512-S555 VanDerWaalsContact OD2-CA 3.27Å; D512-S555 WeakPolarHBondContact OD2-CA 3.4Å; D512-S555 WeakPolarHBondContact OD2-CB 3.3Å; D512-S555 PolarHBondContact OD2-OG 3.39Å; S555-S558 WeakPolarHBondContact CB-OG 3.01Å; S555-S558 PolarHBondContact OG-N 3.11Å; S555-S558 PolarHBondContact OG-OG 3.29Å; S555-A559 VanDerWaalsContact O-CA 3.25Å; S555-A559 WeakPolarHBondContact O-CA 3.45Å; S555-A559 PolarHBondContact O-N 2.72Å; S555-A560 PolarHBondContact N-O 2.95Å; S555-A560 VanDerWaalsContact N-O 3.1Å; S555-A560 PolarHBondContact O-N 3.15Å
556	W	89.1	Confident	94.2	Very high	66 Å²	66	38.6 Å²	38.6	25%	0.25	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-36.2	177.1	-71	99.5	0	0	0	112.3	R510 D512 Y554	R510-W556 HydrophobicContact CB-CB 4.5Å; R510-W556 HydrophobicContact CB-CD2 4.41Å; R510-W556 HydrophobicContact CB-CE3 4.38Å; R510-W556 HydrophobicContact CB-CG 4.44Å; R510-W556 HydrophobicContact CG-CB 4.13Å; R510-W556 HydrophobicContact CG-CD2 3.85Å; R510-W556 HydrophobicContact CG-CE3 4.28Å; R510-W556 HydrophobicContact CG-CG 3.73Å; D512-W556 VanDerWaalsContact CG-N 3.31Å; D512-W556 PolarHBondContact OD1-N 2.61Å; D512-W556 PolarHBondContact OD2-N 2.84Å; Y554-W556 AromaticContact CD1-CD2 3.66Å; Y554-W556 HydrophobicContact CD1-CD2 3.66Å; Y554-W556 AromaticContact CD1-CE2 3.68Å; Y554-W556 HydrophobicContact CD1-CE3 4.16Å; Y554-W556 AromaticContact CD1-CG 3.91Å; Y554-W556 HydrophobicContact CD1-CG 3.91Å; Y554-W556 HydrophobicContact CD1-CZ2 4.14Å; Y554-W556 AromaticContact CD1-NE1 3.93Å; Y554-W556 AromaticContact CE1-CD2 3.6Å; Y554-W556 HydrophobicContact CE1-CD2 3.6Å; Y554-W556 AromaticContact CE1-CE3 3.62Å; Y554-W556 HydrophobicContact CE1-CE3 3.62Å; Y554-W556 HydrophobicContact CE1-CG 4.06Å; Y554-W556 HydrophobicContact CE1-CH2 4.34Å; Y554-W556 HydrophobicContact CE1-CZ2 4.35Å; Y554-W556 HydrophobicContact CE1-CZ3 4.01Å
557	E	87.3	Confident	94.3	Very high	139 Å²	139	35.3 Å²	35.3	65%	0.65	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-38.1	179.9	-64.9	178.6	174	0	0	112.6	D512	D512-E557 PolarHBondContact OD2-N 3.05Å
558	S	89.1	Confident	94.4	Very high	77 Å²	77	30.9 Å²	30.9	54%	0.538	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.6	-179.1	64	0	0	0	0	114.1	S555 A560	S555-S558 WeakPolarHBondContact CB-OG 3.01Å; S555-S558 PolarHBondContact OG-N 3.11Å; S555-S558 PolarHBondContact OG-OG 3.29Å; S558-A560 PolarHBondContact O-N 3.08Å
559	A	89.8	Confident	94.3	Very high	68 Å²	68	32 Å²	32	56%	0.562	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	38.6	-175.9	0	0	0	0	0	114.1	Y554 S555	Y554-A559 WeakPolarHBondContact OH-CA 3.06Å; Y554-A559 WeakPolarHBondContact OH-CB 3.41Å; S555-A559 VanDerWaalsContact O-CA 3.25Å; S555-A559 WeakPolarHBondContact O-CA 3.45Å; S555-A559 PolarHBondContact O-N 2.72Å
560	A	91.5	Very high	94.1	Very high	39 Å²	39	32 Å²	32	32%	0.322	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	145.9	-167.3	0	0	0	0	0	114.1	S555 S558	S555-A560 PolarHBondContact N-O 2.95Å; S555-A560 VanDerWaalsContact N-O 3.1Å; S555-A560 PolarHBondContact O-N 3.15Å; S558-A560 PolarHBondContact O-N 3.08Å
561	F	93.3	Very high	93.9	Very high	17 Å²	17	37.6 Å²	37.6	8%	0.075	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	138.5	174.3	-66.8	3	0	0	0	110.8	E301 Y554 R584 A586	E301-F561 HydrophobicContact CB-CE2 3.74Å; E301-F561 HydrophobicContact CB-CZ 3.82Å; Y554-F561 AromaticContact CD2-CD1 3.4Å; Y554-F561 HydrophobicContact CD2-CD1 3.4Å; Y554-F561 AromaticContact CD2-CE1 3.42Å; Y554-F561 HydrophobicContact CD2-CE1 3.42Å; Y554-F561 VanDerWaalsContact CD2-CE1 3.42Å; Y554-F561 AromaticContact CE2-CD1 3.76Å; Y554-F561 HydrophobicContact CE2-CD1 3.76Å; Y554-F561 AromaticContact CE2-CE1 3.65Å; Y554-F561 HydrophobicContact CE2-CE1 3.65Å; F561-R584 HydrophobicContact CB-CB 3.65Å; F561-R584 WeakPolarHBondContact O-CD 3.46Å; F561-R584 PolarHBondContact O-NH1 2.9Å; F561-A586 HydrophobicContact CD1-CB 4.24Å; F561-A586 HydrophobicContact CE1-CB 4.16Å; F561-A586 HydrophobicContact CZ-CB 4.46Å
562	S	94.1	Very high	93.7	Very high	21 Å²	21	40 Å²	40	15%	0.147	23%	0.226	C	C	.	.			trans	-99.4	147.7	179.5	-173.8	0	0	0	0	111.9	G552 G553 V564 R584 T585	G552-S562 WeakPolarHBondContact CA-O 3.22Å; G553-S562 WeakPolarHBondContact O-CB 3.38Å; G553-S562 PolarHBondContact O-N 3.4Å; S562-V564 WeakPolarHBondContact OG-CB 3.34Å; S562-V564 PolarHBondContact OG-N 2.68Å; S562-R584 WeakPolarHBondContact O-CA 3.49Å; S562-T585 PolarHBondContact O-N 3.5Å
563	R	94.4	Very high	93.6	Very high	98 Å²	98	41.9 Å²	41.9	37%	0.37	25%	0.246	S	C	.	.			trans	-106.7	1.9	165.7	68.8	178.9	119.8	93.7	-1.5	112.4	D580 L581 R584	R563-D580 HydrophobicContact CG-CB 4.31Å; R563-D580 IonicContact NH1-OD2 3.43Å; R563-D580 PolarHBondContact NH1-OD2 2.88Å; R563-D580 CarbonylContact O-C 3.59Å; R563-D580 WeakPolarHBondContact O-CA 3.38Å; R563-L581 HydrophobicContact CB-CB 4.33Å; R563-L581 PolarHBondContact O-N 3.39Å; R563-R584 HydrophobicContact CB-CG 4.29Å
564	V	95.3	Very high	93.7	Very high	25 Å²	25	47.5 Å²	47.5	15%	0.152	27%	0.27	C	S	.	.			trans	-77	134.3	-170	178.2	0	0	0	0	109.6	G552 S562 Q566 R577	G552-V564 PolarHBondContact N-O 3.16Å; S562-V564 WeakPolarHBondContact OG-CB 3.34Å; S562-V564 PolarHBondContact OG-N 2.68Å; V564-Q566 HydrophobicContact CG1-CG 3.95Å; V564-R577 HydrophobicContact CG1-CG 4.49Å
565	T	96.4	Very high	93.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.1	164.8	-64.6	0	0	0	0	109.1	Y549 V550 L551 V567 G578 P579	Y549-T565 HydrophobicContact CD1-CG2 4Å; V550-T565 CarbonylContact O-C 3.54Å; V550-T565 WeakPolarHBondContact O-CA 3.33Å; L551-T565 HydrophobicContact CD2-CG2 3.53Å; L551-T565 WeakPolarHBondContact CD2-OG1 3.42Å; T565-V567 HydrophobicContact CG2-CG2 4Å; T565-G578 PolarHBondContact O-N 2.9Å; T565-P579 WeakPolarHBondContact CB-O 3.22Å; T565-P579 PolarHBondContact OG1-O 3.48Å
566	Q	97.1	Very high	94	Very high	1 Å²	1	48 Å²	48	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.3	175.4	-49.8	-177.9	74.5	0	0	108.6	R534 V550 V564 W575	R534-Q566 PolarHBondContact O-NE2 3.01Å; V550-Q566 HydrophobicContact CB-CB 4.31Å; V550-Q566 PolarHBondContact N-O 3.45Å; V550-Q566 PolarHBondContact O-N 2.91Å; V564-Q566 HydrophobicContact CG1-CG 3.95Å; Q566-W575 HydrophobicContact CB-CE3 3.9Å; Q566-W575 HydrophobicContact CB-CZ3 4.24Å
567	V	97.4	Very high	94.3	Very high	7 Å²	7	52.2 Å²	52.2	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.7	-174.7	-171.7	0	0	0	0	109.2	R547 I548 Y549 T565 W575 S576	R547-V567 HydrophobicContact CB-CG1 3.9Å; R547-V567 HydrophobicContact CG-CG1 4.44Å; I548-V567 CarbonylContact O-C 3.51Å; I548-V567 VanDerWaalsContact O-CA 3.32Å; I548-V567 WeakPolarHBondContact O-CA 3.43Å; Y549-V567 HydrophobicContact CD1-CG1 4.4Å; Y549-V567 HydrophobicContact CD1-CG2 3.62Å; Y549-V567 HydrophobicContact CD2-CG1 4.42Å; Y549-V567 HydrophobicContact CE1-CB 4.42Å; Y549-V567 HydrophobicContact CE1-CG1 4.03Å; Y549-V567 HydrophobicContact CE1-CG2 3.49Å; Y549-V567 VanDerWaalsContact CE1-CG2 3.49Å; Y549-V567 HydrophobicContact CE2-CG1 4.04Å; Y549-V567 HydrophobicContact CG-CG2 4.37Å; T565-V567 HydrophobicContact CG2-CG2 4Å; V567-W575 CarbonylContact O-C 3.59Å; V567-W575 WeakPolarHBondContact O-CA 3.4Å; V567-S576 PolarHBondContact N-O 2.79Å; V567-S576 PolarHBondContact O-N 2.5Å
568	F	97.8	Very high	94.6	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123	173.2	-175.9	-114.8	0	0	0	110	Y496 A530 R547 I548 P570 W575	Y496-F568 HydrophobicContact CE1-CD1 4.39Å; Y496-F568 AromaticContact CE1-CE1 3.73Å; Y496-F568 HydrophobicContact CE1-CE1 3.73Å; Y496-F568 HydrophobicContact CE1-CZ 4.42Å; A530-F568 HydrophobicContact CB-CE2 4.17Å; R547-F568 WeakPolarHBondContact CA-O 3.38Å; R547-F568 WeakPolarHBondContact CB-O 3.32Å; I548-F568 HydrophobicContact CB-CB 4.11Å; I548-F568 HydrophobicContact CD1-CD1 4.12Å; I548-F568 HydrophobicContact CG1-CD1 4.37Å; I548-F568 PolarHBondContact N-O 2.71Å; I548-F568 VanDerWaalsContact N-O 3.14Å; I548-F568 PolarHBondContact O-N 3.03Å; F568-P570 HydrophobicContact CE1-CB 4.19Å; F568-W575 HydrophobicContact CB-CD2 3.74Å; F568-W575 HydrophobicContact CB-CE3 3.62Å; F568-W575 HydrophobicContact CB-CH2 3.64Å; F568-W575 HydrophobicContact CB-CZ2 3.76Å; F568-W575 HydrophobicContact CB-CZ3 3.57Å; F568-W575 AromaticContact CD2-CD1 3.91Å; F568-W575 AromaticContact CD2-CD2 3.99Å; F568-W575 HydrophobicContact CD2-CD2 3.99Å; F568-W575 AromaticContact CD2-CE2 3.71Å; F568-W575 HydrophobicContact CD2-CG 4.11Å; F568-W575 HydrophobicContact CD2-CZ2 4.21Å; F568-W575 AromaticContact CD2-NE1 3.66Å; F568-W575 HydrophobicContact CG-CD2 4.3Å; F568-W575 HydrophobicContact CG-CH2 4.44Å; F568-W575 HydrophobicContact CG-CZ2 4.1Å
569	D	96.1	Very high	94.8	Very high	23 Å²	23	44 Å²	44	12%	0.123	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	112.7	170.2	-168.7	-44.5	0	0	0	109.2	R547 D571 A572 G573 F574	R547-D569 IonicContact CZ-OD2 3.34Å; R547-D569 VanDerWaalsContact CZ-OD2 3.23Å; R547-D569 IonicContact NE-OD2 2.83Å; R547-D569 PolarHBondContact NE-OD2 3.22Å; R547-D569 IonicContact NH2-OD2 3.65Å; R547-D569 PolarHBondContact NH2-OD2 3.14Å; D569-D571 VanDerWaalsContact C-N 3.26Å; D569-D571 PolarHBondContact O-N 3.44Å; D569-D571 WeakPolarHBondContact OD1-CA 3.21Å; D569-D571 WeakPolarHBondContact OD1-CB 3.37Å; D569-D571 PolarHBondContact OD1-N 2.72Å; D569-A572 HydrophobicContact CB-CB 3.94Å; D569-A572 PolarHBondContact O-N 2.81Å; D569-A572 PolarHBondContact OD1-N 3Å; D569-A572 VanDerWaalsContact OD1-N 3.14Å; D569-G573 WeakPolarHBondContact O-CA 3.49Å; D569-G573 PolarHBondContact O-N 2.97Å; D569-F574 PolarHBondContact N-O 3.11Å
570	P	93.4	Very high	95	Very high	23 Å²	23	43.2 Å²	43.2	15%	0.149	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.5	-178.7	32	-39.9	0	0	0	113.6	L491 S546 F568	L491-P570 HydrophobicContact CD2-CB 4.15Å; L491-P570 HydrophobicContact CD2-CG 3.94Å; S546-P570 WeakPolarHBondContact O-CD 3.41Å; S546-P570 WeakPolarHBondContact O-CG 3.49Å; F568-P570 HydrophobicContact CE1-CB 4.19Å
571	D	94	Very high	95.2	Very high	120 Å²	120	41.6 Å²	41.6	64%	0.642	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-36.9	178.1	-65.4	-42.1	0	0	0	111.1	R492 D569	R492-D571 IonicContact CZ-OD1 3.46Å; R492-D571 IonicContact CZ-OD2 3.17Å; R492-D571 IonicContact NH1-OD1 2.72Å; R492-D571 PolarHBondContact NH1-OD1 2.82Å; R492-D571 IonicContact NH2-OD1 3.64Å; R492-D571 PolarHBondContact NH2-OD1 2.86Å; R492-D571 IonicContact NH2-OD2 3.13Å; R492-D571 PolarHBondContact NH2-OD2 3Å; D569-D571 VanDerWaalsContact C-N 3.26Å; D569-D571 PolarHBondContact O-N 3.44Å; D569-D571 WeakPolarHBondContact OD1-CA 3.21Å; D569-D571 WeakPolarHBondContact OD1-CB 3.37Å; D569-D571 PolarHBondContact OD1-N 2.72Å
572	A	93.4	Very high	95.1	Very high	51 Å²	51	43.8 Å²	43.8	42%	0.421	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-25.1	176.1	0	0	0	0	0	112.7	D569 F574	D569-A572 HydrophobicContact CB-CB 3.94Å; D569-A572 PolarHBondContact O-N 2.81Å; D569-A572 PolarHBondContact OD1-N 3Å; D569-A572 VanDerWaalsContact OD1-N 3.14Å; A572-F574 HydrophobicContact CB-CD1 3.76Å; A572-F574 HydrophobicContact CB-CE1 3.43Å; A572-F574 VanDerWaalsContact CB-CE1 3.43Å; A572-F574 HydrophobicContact CB-CZ 3.99Å; A572-F574 WeakPolarHBondContact O-CD1 3.15Å
573	G	93.8	Very high	94.9	Very high	40 Å²	40	45.1 Å²	45.1	41%	0.412	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	16.1	177.2	0	0	0	0	0	114.9	A530 D569	A530-G573 WeakPolarHBondContact CB-O 3.25Å; D569-G573 WeakPolarHBondContact O-CA 3.49Å; D569-G573 PolarHBondContact O-N 2.97Å
574	F	96	Very high	94.8	Very high	118 Å²	118	45.4 Å²	45.4	52%	0.518	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	164.8	179.9	66	-99.3	0	0	0	113.1	D569 A572	D569-F574 PolarHBondContact N-O 3.11Å; A572-F574 HydrophobicContact CB-CD1 3.76Å; A572-F574 HydrophobicContact CB-CE1 3.43Å; A572-F574 VanDerWaalsContact CB-CE1 3.43Å; A572-F574 HydrophobicContact CB-CZ 3.99Å; A572-F574 WeakPolarHBondContact O-CD1 3.15Å
575	W	97.4	Very high	94.8	Very high	15 Å²	15	44.5 Å²	44.5	6%	0.057	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	137.5	176	-65.5	88.5	0	0	0	111.6	I498 A530 P531 L532 L533 V550 Q566 V567 F568	I498-W575 HydrophobicContact CD1-CH2 4.16Å; I498-W575 HydrophobicContact CD1-CZ2 4.43Å; I498-W575 HydrophobicContact CG1-CZ2 4.47Å; I498-W575 HydrophobicContact CG2-CH2 3.94Å; I498-W575 HydrophobicContact CG2-CZ2 4.07Å; A530-W575 PolarHBondContact O-NE1 3.08Å; P531-W575 PolarHBondContact O-NE1 3Å; L532-W575 HydrophobicContact CD2-CD2 4.03Å; L532-W575 HydrophobicContact CD2-CE3 3.95Å; L532-W575 HydrophobicContact CD2-CH2 3.59Å; L532-W575 HydrophobicContact CD2-CZ2 3.65Å; L532-W575 HydrophobicContact CD2-CZ3 3.74Å; L532-W575 HydrophobicContact CG-CZ2 4.39Å; L533-W575 HydrophobicContact CD1-CB 4.19Å; L533-W575 HydrophobicContact CD2-CB 4.1Å; L533-W575 HydrophobicContact CG-CB 3.8Å; V550-W575 HydrophobicContact CB-CZ3 4.4Å; V550-W575 HydrophobicContact CG2-CH2 3.76Å; V550-W575 HydrophobicContact CG2-CZ3 3.72Å; Q566-W575 HydrophobicContact CB-CE3 3.9Å; Q566-W575 HydrophobicContact CB-CZ3 4.24Å; V567-W575 CarbonylContact O-C 3.59Å; V567-W575 WeakPolarHBondContact O-CA 3.4Å; F568-W575 HydrophobicContact CB-CD2 3.74Å; F568-W575 HydrophobicContact CB-CE3 3.62Å; F568-W575 HydrophobicContact CB-CH2 3.64Å; F568-W575 HydrophobicContact CB-CZ2 3.76Å; F568-W575 HydrophobicContact CB-CZ3 3.57Å; F568-W575 AromaticContact CD2-CD1 3.91Å; F568-W575 AromaticContact CD2-CD2 3.99Å; F568-W575 HydrophobicContact CD2-CD2 3.99Å; F568-W575 AromaticContact CD2-CE2 3.71Å; F568-W575 HydrophobicContact CD2-CG 4.11Å; F568-W575 HydrophobicContact CD2-CZ2 4.21Å; F568-W575 AromaticContact CD2-NE1 3.66Å; F568-W575 HydrophobicContact CG-CD2 4.3Å; F568-W575 HydrophobicContact CG-CH2 4.44Å; F568-W575 HydrophobicContact CG-CZ2 4.1Å
576	S	96.8	Very high	94.6	Very high	50 Å²	50	44.6 Å²	44.6	35%	0.35	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	159.6	171	62.7	0	0	0	0	111.3	V567	V567-S576 PolarHBondContact N-O 2.79Å; V567-S576 PolarHBondContact O-N 2.5Å
577	R	96	Very high	94.5	Very high	155 Å²	155	44.6 Å²	44.6	59%	0.585	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	129.5	172.8	-172.3	174.3	-178.7	175.7	-0.5	110.4	V564 D580	V564-R577 HydrophobicContact CG1-CG 4.49Å; R577-D580 IonicContact CZ-OD1 3.73Å; R577-D580 IonicContact CZ-OD2 2.74Å; R577-D580 IonicContact NE-OD1 3.59Å; R577-D580 PolarHBondContact NE-OD1 3.06Å; R577-D580 VanDerWaalsContact NE-OD1 3.14Å; R577-D580 IonicContact NH2-OD1 3.16Å; R577-D580 PolarHBondContact NH2-OD1 3.04Å; R577-D580 IonicContact NH2-OD2 3.03Å; R577-D580 PolarHBondContact NH2-OD2 3.34Å
578	G	93.6	Very high	94.4	Very high	16 Å²	16	44.3 Å²	44.3	17%	0.165	24%	0.241	C	C	.	.			trans	-97.9	-170.9	170.6	0	0	0	0	0	112.8	T565 D580	T565-G578 PolarHBondContact O-N 2.9Å; G578-D580 PolarHBondContact O-N 2.87Å
579	P	93.4	Very high	94.3	Very high	28 Å²	28	44.5 Å²	44.5	18%	0.182	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-66.5	127	178.9	25.5	-31.5	0	0	0	111.3	L316 V321 W323 T565	L316-P579 HydrophobicContact CD1-CB 4.3Å; L316-P579 HydrophobicContact CD1-CG 3.58Å; L316-P579 HydrophobicContact CD2-CG 3.93Å; L316-P579 HydrophobicContact CG-CG 4.44Å; V321-P579 HydrophobicContact CG1-CB 4.15Å; V321-P579 HydrophobicContact CG1-CG 3.96Å; V321-P579 WeakPolarHBondContact O-CB 3.21Å; W323-P579 PolarHBondContact NE1-O 2.75Å; T565-P579 WeakPolarHBondContact CB-O 3.22Å; T565-P579 PolarHBondContact OG1-O 3.48Å
580	D	94.6	Very high	94.4	Very high	51 Å²	51	44 Å²	44	27%	0.273	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-59.4	142.4	177.9	-81.3	10.1	0	0	0	110.9	W323 R563 R577 G578	W323-D580 VanDerWaalsContact CD1-O 3.23Å; R563-D580 HydrophobicContact CG-CB 4.31Å; R563-D580 IonicContact NH1-OD2 3.43Å; R563-D580 PolarHBondContact NH1-OD2 2.88Å; R563-D580 CarbonylContact O-C 3.59Å; R563-D580 WeakPolarHBondContact O-CA 3.38Å; R577-D580 IonicContact CZ-OD1 3.73Å; R577-D580 IonicContact CZ-OD2 2.74Å; R577-D580 IonicContact NE-OD1 3.59Å; R577-D580 PolarHBondContact NE-OD1 3.06Å; R577-D580 VanDerWaalsContact NE-OD1 3.14Å; R577-D580 IonicContact NH2-OD1 3.16Å; R577-D580 PolarHBondContact NH2-OD1 3.04Å; R577-D580 IonicContact NH2-OD2 3.03Å; R577-D580 PolarHBondContact NH2-OD2 3.34Å; G578-D580 PolarHBondContact O-N 2.87Å
581	L	94.5	Very high	94.6	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-65.6	150.8	173.1	-60.7	-179.1	0	0	0	111	L297 W323 L551 R563 M583 T585	L297-L581 HydrophobicContact CD2-CD1 3.78Å; L297-L581 HydrophobicContact CD2-CD2 3.71Å; L297-L581 HydrophobicContact CD2-CG 4.34Å; W323-L581 HydrophobicContact CD2-CD2 4.14Å; W323-L581 VanDerWaalsContact CE2-CD2 3.44Å; W323-L581 HydrophobicContact CH2-CD2 4.16Å; W323-L581 HydrophobicContact CZ2-CD2 3.46Å; W323-L581 VanDerWaalsContact CZ2-CD2 3.46Å; L551-L581 HydrophobicContact CB-CD1 4.23Å; L551-L581 HydrophobicContact CB-CD2 4.36Å; R563-L581 HydrophobicContact CB-CB 4.33Å; R563-L581 PolarHBondContact O-N 3.39Å; L581-M583 WeakPolarHBondContact CB-O 3.15Å; L581-M583 PolarHBondContact O-N 3.17Å; L581-T585 HydrophobicContact CD1-CG2 3.53Å
582	P	90.8	Very high	94.7	Very high	62 Å²	62	39.2 Å²	39.2	40%	0.403	22%	0.218	S	C	.	.	S	Bend	trans	-61.6	-25.3	176.6	-24.4	35.2	0	0	0	114.1	W314 W323	W314-P582 HydrophobicContact CD2-CG 3.83Å; W314-P582 HydrophobicContact CE3-CG 3.67Å; W314-P582 HydrophobicContact CH2-CB 3.83Å; W314-P582 HydrophobicContact CH2-CG 3.85Å; W314-P582 HydrophobicContact CZ2-CB 3.82Å; W314-P582 HydrophobicContact CZ2-CG 3.97Å; W314-P582 HydrophobicContact CZ3-CB 4.18Å; W314-P582 HydrophobicContact CZ3-CG 3.68Å; W323-P582 HydrophobicContact CB-CG 3.55Å; W323-P582 HydrophobicContact CG-CG 4.23Å
583	M	90.1	Very high	94.7	Very high	50 Å²	50	36.9 Å²	36.9	25%	0.246	20%	0.199	C	C	.	.	S	Bend	trans	-136.5	155.7	-175.3	-70.6	173.2	156.2	0	0	110.3	V302 E304 L581	V302-M583 HydrophobicContact CG1-CB 4.44Å; V302-M583 HydrophobicContact CG1-SD 4.15Å; E304-M583 HydrophobicContact CG-CG 4.47Å; E304-M583 WeakPolarHBondContact OE1-CA 3.32Å; E304-M583 WeakPolarHBondContact OE1-CB 3.41Å; L581-M583 WeakPolarHBondContact CB-O 3.15Å; L581-M583 PolarHBondContact O-N 3.17Å
584	R	93.3	Very high	94.6	Very high	103 Å²	103	37.3 Å²	37.3	39%	0.389	19%	0.194	S	C	.	.			trans	-78.7	118.8	169.2	-64.4	176.2	-179.9	-90.4	5	108.4	V302 G303 E304 F561 S562 R563	V302-R584 WeakPolarHBondContact CA-O 3.33Å; G303-R584 PolarHBondContact N-O 2.93Å; G303-R584 VanDerWaalsContact N-O 3.12Å; E304-R584 PolarHBondContact OE1-N 3.29Å; F561-R584 HydrophobicContact CB-CB 3.65Å; F561-R584 WeakPolarHBondContact O-CD 3.46Å; F561-R584 PolarHBondContact O-NH1 2.9Å; S562-R584 WeakPolarHBondContact O-CA 3.49Å; R563-R584 HydrophobicContact CB-CG 4.29Å
585	T	93.9	Very high	94.3	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.043	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	147	-171.2	-170.8	0	0	0	0	113.4	L297 E301 G553 S562 L581 A588	L297-T585 HydrophobicContact CD2-CG2 4.15Å; E301-T585 WeakPolarHBondContact O-CA 3.2Å; E301-T585 WeakPolarHBondContact O-CB 3.17Å; E301-T585 PolarHBondContact O-OG1 3.18Å; G553-T585 PolarHBondContact N-O 3.07Å; S562-T585 PolarHBondContact O-N 3.5Å; L581-T585 HydrophobicContact CD1-CG2 3.53Å; T585-A588 HydrophobicContact CG2-CB 4.31Å
586	A	94.2	Very high	93.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	157	171.9	0	0	0	0	0	109.1	E301 E538 F561 A588	E301-A586 PolarHBondContact N-O 2.82Å; E301-A586 PolarHBondContact O-N 3.37Å; E538-A586 HydrophobicContact CB-CB 4.27Å; F561-A586 HydrophobicContact CD1-CB 4.24Å; F561-A586 HydrophobicContact CE1-CB 4.16Å; F561-A586 HydrophobicContact CZ-CB 4.46Å; A586-A588 PolarHBondContact O-N 2.94Å
587	G	93.5	Very high	92.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	19%	0.193	C	C	.	.	S	Bend	trans	66.4	10	-178.6	0	0	0	0	0	114	H335 E538	H335-G587 PolarHBondContact N-O 2.68Å; E538-G587 PolarHBondContact O-N 3.22Å
588	A	94.9	Very high	90.8	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.017	19%	0.189	C	C	.	.			trans	-76.2	152.4	169	0	0	0	0	0	109.9	L297 G299 G540 T585 A586	L297-A588 HydrophobicContact CD1-CB 3.7Å; L297-A588 HydrophobicContact CG-CB 4.17Å; G299-A588 WeakPolarHBondContact O-CB 3.26Å; G540-A588 WeakPolarHBondContact CA-O 3.37Å; T585-A588 HydrophobicContact CG2-CB 4.31Å; A586-A588 PolarHBondContact O-N 2.94Å
589	A	96.5	Very high	89	Confident	12 Å²	12	37.8 Å²	37.8	10%	0.099	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	144.2	177.1	0	0	0	0	0	110.5	I298 L338	I298-A589 PolarHBondContact N-O 2.97Å; I298-A589 PolarHBondContact O-N 3.29Å; I298-A589 VanDerWaalsContact O-N 3.17Å; L338-A589 HydrophobicContact CB-CB 4.27Å; L338-A589 HydrophobicContact CD1-CB 3.78Å; L338-A589 WeakPolarHBondContact CD1-O 3.38Å; L338-A589 HydrophobicContact CG-CB 3.53Å
590	A	97.5	Very high	87	Confident	13 Å²	13	39.9 Å²	39.9	11%	0.107	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.7	-177.8	0	0	0	0	0	110.7	M296 L297 A542 L551	M296-A590 CarbonylContact O-C 3.51Å; M296-A590 WeakPolarHBondContact O-CA 3.46Å; M296-A590 WeakPolarHBondContact O-CB 3.35Å; L297-A590 HydrophobicContact CD1-CB 4.16Å; A542-A590 HydrophobicContact CB-CB 4.06Å; L551-A590 HydrophobicContact CD1-CB 3.77Å
591	C	97.3	Very high	84.7	Confident	11 Å²	11	47 Å²	47	7%	0.074	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	170.6	175.1	66.1	0	0	0	0	110.5	M296 L338 V340	M296-C591 PolarHBondContact N-O 3.29Å; M296-C591 PolarHBondContact O-N 2.99Å; L338-C591 HydrophobicContact CB-CB 4.28Å; L338-C591 HydrophobicContact CD1-CB 4.2Å; V340-C591 HydrophobicContact CG2-CB 3.84Å
592	V	96.4	Very high	82	Confident	31 Å²	31	52.6 Å²	52.6	19%	0.188	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.5	169	176	0	0	0	0	108.4	E293 R294 L295 A542 V543 W544	E293-V592 HydrophobicContact CB-CG1 3.92Å; E293-V592 HydrophobicContact CG-CG1 4.38Å; R294-V592 WeakPolarHBondContact O-CA 3.44Å; L295-V592 HydrophobicContact CD1-CG2 4.38Å; A542-V592 HydrophobicContact CB-CG2 4.33Å; V543-V592 WeakPolarHBondContact O-CG2 3.14Å; W544-V592 HydrophobicContact CB-CG2 3.62Å; W544-V592 HydrophobicContact CG-CG2 3.98Å
593	C	94.3	Very high	79.4	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.02	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	150.6	177.1	-165.5	0	0	0	0	110.4	R294 M296 G343 I345 V595	R294-C593 PolarHBondContact N-O 3.29Å; R294-C593 PolarHBondContact O-N 3.35Å; R294-C593 VanDerWaalsContact O-N 3.11Å; M296-C593 HydrophobicContact SD-CB 3.93Å; G343-C593 PolarHBondContact O-SG 2.97Å; I345-C593 HydrophobicContact CD1-CB 3.69Å; I345-C593 HydrophobicContact CG1-CB 3.81Å; C593-V595 PolarHBondContact O-N 2.96Å
594	T	92	Very high	76.7	Confident	49 Å²	49	61 Å²	61	30%	0.301	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.6	172	-61.4	0	0	0	0	109	L288 A292 P370	L288-T594 HydrophobicContact CB-CG2 4.48Å; L288-T594 HydrophobicContact CD1-CG2 4.4Å; A292-T594 WeakPolarHBondContact O-CA 3.33Å; P370-T594 WeakPolarHBondContact CB-O 3.49Å; P370-T594 WeakPolarHBondContact CG-O 3.27Å
595	V	88.7	Confident	73.9	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.024	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	165.3	177	-59.9	0	0	0	0	110	G291 A292 R294 M296 P370 C593 A597	G291-V595 CarbonylContact C-O 3.57Å; G291-V595 WeakPolarHBondContact CA-O 3.33Å; A292-V595 PolarHBondContact N-O 2.85Å; A292-V595 PolarHBondContact O-N 2.85Å; R294-V595 HydrophobicContact CB-CG2 3.87Å; R294-V595 HydrophobicContact CG-CG2 3.4Å; R294-V595 VanDerWaalsContact CG-CG2 3.4Å; M296-V595 HydrophobicContact CE-CG1 4.29Å; M296-V595 HydrophobicContact SD-CG1 4.01Å; P370-V595 HydrophobicContact CB-CG1 3.98Å; C593-V595 PolarHBondContact O-N 2.96Å; V595-A597 PolarHBondContact O-N 2.85Å
596	R	81.3	Confident	71	Confident	124 Å²	124	74.1 Å²	74.1	47%	0.468	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	129.7	173.8	-68.6	-178.1	-179.9	-169.6	2.9	109.7	L288 R371	L288-R596 HydrophobicContact CD1-CG 4.38Å; L288-R596 HydrophobicContact CD2-CG 3.94Å; R371-R596 PolarHBondContact O-NE 2.82Å; R371-R596 PolarHBondContact O-NH2 2.89Å
597	A	70.8	Confident	68.1	Low	50 Å²	50	83.5 Å²	83.5	41%	0.413	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-67.4	136.7	170.4	0	0	0	0	0	109.8	G290 A292 V595	G290-A597 VanDerWaalsContact O-CB 3.27Å; G290-A597 WeakPolarHBondContact O-CB 3.31Å; G290-A597 PolarHBondContact O-N 2.61Å; A292-A597 HydrophobicContact CB-CB 4.49Å; V595-A597 PolarHBondContact O-N 2.85Å
598	E	64.6	Low	65.3	Low	107 Å²	107	92.6 Å²	92.6	50%	0.5	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-70.3	152.7	170.6	-81.5	-167.7	179	0	0	111.1	R315	R315-E598 IonicContact CZ-OE1 2.77Å; R315-E598 IonicContact NH2-OE1 2.73Å; R315-E598 PolarHBondContact NH2-OE1 3.22Å; R315-E598 IonicContact NH2-OE2 3.18Å
599	P	56.4	Low	62.5	Low	78 Å²	78	98.9 Å²	98.9	51%	0.506	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-59.9	137.2	164.4	-12	25.8	0	0	0	110.7	Y202 R601	Y202-P599 HydrophobicContact CD1-CB 3.72Å; Y202-P599 HydrophobicContact CD1-CG 3.85Å; Y202-P599 HydrophobicContact CE1-CB 3.44Å; Y202-P599 VanDerWaalsContact CE1-CB 3.44Å; Y202-P599 HydrophobicContact CE1-CG 3.96Å; P599-R601 PolarHBondContact O-N 3.05Å
600	P	50.4	Low	59.6	Low	72 Å²	72	101.6 Å²	101.6	47%	0.468	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-55.3	131.8	164.6	26.9	-29.5	0	0	0	106.4	Y202	Y202-P600 WeakPolarHBondContact OH-CD 3.44Å; Y202-P600 WeakPolarHBondContact OH-CG 3.48Å
601	R	46.9	Very low	56.7	Low	200 Å²	200	113 Å²	113	76%	0.755	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-56	134.8	177.5	-65.2	-179.3	-177.5	-176.1	2.1	107.5	P599 E603	P599-R601 PolarHBondContact O-N 3.05Å; R601-E603 PolarHBondContact O-N 3.05Å; R601-E603 VanDerWaalsContact O-N 3.07Å
602	P	39	Very low	53.9	Low	124 Å²	124	124.3 Å²	124.3	81%	0.805	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-54.5	123.7	178.2	20.2	-29.9	0	0	0	108.5
603	E	34.8	Very low	51	Low	169 Å²	169	126.3 Å²	126.3	79%	0.79	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-54	132.6	169.7	-72.1	-170.3	164.7	0	0	107.5	R601 E605	R601-E603 PolarHBondContact O-N 3.05Å; R601-E603 VanDerWaalsContact O-N 3.07Å; E603-E605 PolarHBondContact O-N 2.76Å
604	P	33.8	Very low	48.2	Very low	119 Å²	119	129.9 Å²	129.9	77%	0.773	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-57.6	117.6	176.5	22.4	-30.4	0	0	0	107.7	K606	P604-K606 PolarHBondContact O-N 3.47Å
605	E	34.3	Very low	45.5	Very low	184 Å²	184	132.9 Å²	132.9	86%	0.86	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-46.1	118.5	176.8	-76.2	-175.4	156.2	0	0	108.3	E603 K607	E603-E605 PolarHBondContact O-N 2.76Å; E605-K607 PolarHBondContact O-N 3.02Å
606	K	34	Very low	43.2	Very low	202 Å²	202	141.9 Å²	141.9	88%	0.878	74%	0.744	S	S	*	*			trans	-58.9	96	169.9	-75.5	179.9	-179.4	172.3	0	106.6	P604 K608	P604-K606 PolarHBondContact O-N 3.47Å; K606-K608 PolarHBondContact O-N 3.44Å
607	K	32.4	Very low	41	Very low	199 Å²	199	141.3 Å²	141.3	87%	0.865	76%	0.76	S	S	*	*			trans	-50.7	111.8	171	-80.6	-177	176.1	178.4	0	107	E605	E605-K607 PolarHBondContact O-N 3.02Å
608	K	34	Very low	39.5	Very low	192 Å²	192	144.7 Å²	144.7	84%	0.835	78%	0.777	S	S	*	*			trans	-50	131.8	166.8	-74.1	179.7	176.5	176.7	0	107.2	K606 G610	K606-K608 PolarHBondContact O-N 3.44Å; K608-G610 PolarHBondContact O-N 3.2Å
609	P	37.7	Very low	38.8	Very low	133 Å²	133	149.2 Å²	149.2	86%	0.864	82%	0.816	S	S	*	*			trans	-60.9	111.6	177.8	22.7	-30	0	0	0	108.4	R611	P609-R611 PolarHBondContact O-N 3.4Å
610	G	34.9	Very low	37.9	Very low	70 Å²	70	152.8 Å²	152.8	72%	0.722	83%	0.831	S	S	*	*			trans	-59.6	125.9	177.4	0	0	0	0	0	110	K608 R612	K608-G610 PolarHBondContact O-N 3.2Å; G610-R612 PolarHBondContact O-N 3.4Å; G610-R612 VanDerWaalsContact O-N 3.13Å
611	R	37.6	Very low	37.3	Very low	251 Å²	251	157.1 Å²	157.1	95%	0.947	85%	0.851	S	S	*	*			trans	-51.3	116.9	164.3	-85	177.9	167.7	177.2	-4	108	P609 G613	P609-R611 PolarHBondContact O-N 3.4Å; R611-G613 PolarHBondContact O-N 2.81Å; R611-G613 VanDerWaalsContact O-N 3.11Å
612	R	37.8	Very low	36.7	Very low	250 Å²	250	154.7 Å²	154.7	94%	0.943	86%	0.856	S	S	*	*			trans	-60	112.1	166.6	-79.1	-177.7	175.2	-169.7	-2.1	107.9	G610	G610-R612 PolarHBondContact O-N 3.4Å; G610-R612 VanDerWaalsContact O-N 3.13Å
613	G	34.9	Very low	36.6	Very low	73 Å²	73	156.5 Å²	156.5	75%	0.753	86%	0.859	S	S	*	*			trans	-63.7	139.5	164.4	0	0	0	0	0	109.8	R611	R611-G613 PolarHBondContact O-N 2.81Å; R611-G613 VanDerWaalsContact O-N 3.11Å
614	G	35.3	Very low	36.7	Very low	78 Å²	78	155.7 Å²	155.7	80%	0.804	86%	0.863	S	S	*	*			trans	-60.2	139.8	177.9	0	0	0	0	0	111.8	E616	G614-E616 PolarHBondContact O-N 2.65Å
615	S	36.5	Very low	36.9	Very low	112 Å²	112	158.1 Å²	158.1	78%	0.783	87%	0.869	S	S	*	*			trans	-68.6	113.1	171.4	50.8	0	0	0	0	110.6
616	E	40.3	Very low	37.1	Very low	192 Å²	192	156.3 Å²	156.3	90%	0.897	87%	0.87	S	S	*	*			trans	-78.4	136.1	151.6	-76.6	-178.7	155.5	0	0	108.6	G614	G614-E616 PolarHBondContact O-N 2.65Å
617	S	34.5	Very low	37.3	Very low	113 Å²	113	152.8 Å²	152.8	79%	0.79	87%	0.869	S	S	*	*			trans	-108.9	139.1	175.9	-34.3	0	0	0	0	108.7
618	P	40.2	Very low	37.7	Very low	121 Å²	121	148.9 Å²	148.9	79%	0.786	87%	0.87	S	S	*	*			trans	-131.7	167.4	153.4	38.3	-25.9	0	0	0	112.1
619	P	49.1	Very low	38.1	Very low	202 Å²	202	145 Å²	145	100%	1.312	87%	0.873	S	S	*	*			cis	-100.8	0	-20.8	34.9	-23.8	0	0	0	113.7

Retrieved 619 of 619 residues in 682.3 ms (Link to these results)

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