LEUO_ECOLI Loading...

HTH-type transcriptional regulator LeuO

A global transcription factor. Activates transcription of the 9 following operons; yjjQ-bglJ, yjjP, acrEF, ybdO, yjcRQP, casABCDE12, rhsD-ybbC, fepE and gltF, in most cases it probably interferes with silencing by H-NS and activates transcription. Represses transcription of the 3 following operons; uxaCA, sdaCB and btsT. H-NS repression of the bgl operon, leading to the ability to metabolize some beta-glucosides. It also directly activates the bgl operon. Activation is H-NS and BglJ-RcsB independent.

AlphaFold DB , UniProt , Accession P10151, Species ECOLI (Escherichia coli (strain K12)), Gene leuO, Length 314 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.4	Very low	44.1	Very low	238 Å²	238	160 Å²	160	100%	1.172	85%	0.851	S	S	*	*				0	134.5	0	-76	-174	67.7	0	0	107.4
2	P	43.9	Very low	43.9	Very low	117 Å²	117	154.6 Å²	154.6	76%	0.76	85%	0.845	S	S	*	*			trans	-88.7	152.9	-146.5	34.3	-33.2	0	0	0	113.9
3	E	42.8	Very low	43.7	Very low	197 Å²	197	156.5 Å²	156.5	92%	0.921	85%	0.845	S	S	*	*			trans	-60.2	128.9	174.4	-71	168	145.9	0	0	111.2	Q5	E3-Q5 PolarHBondContact O-N 3.26Å
4	V	50.7	Low	43.8	Very low	131 Å²	131	157.7 Å²	157.7	79%	0.794	85%	0.849	S	S	*	*			trans	-83.2	106.3	172.8	175.3	0	0	0	0	107.6	T6	V4-T6 HydrophobicContact CG1-CG2 4.4Å; V4-T6 PolarHBondContact O-N 3.25Å
5	Q	43.7	Very low	44.2	Very low	194 Å²	194	154.5 Å²	154.5	91%	0.907	84%	0.844	S	S	*	*			trans	-79.5	106.4	171.2	-138.3	159.6	5.4	0	0	107.9	E3	E3-Q5 PolarHBondContact O-N 3.26Å
6	T	44.8	Very low	44.8	Very low	105 Å²	105	156.7 Å²	156.7	64%	0.644	84%	0.843	S	S	*	*			trans	-83.1	108.3	171.6	41.6	0	0	0	0	109.4	V4	V4-T6 HydrophobicContact CG1-CG2 4.4Å; V4-T6 PolarHBondContact O-N 3.25Å
7	D	45.1	Very low	45.6	Very low	165 Å²	165	154.6 Å²	154.6	88%	0.882	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-67.3	124.4	166.4	-106.5	-23.9	0	0	0	110
8	H	45.5	Very low	46.9	Very low	162 Å²	162	153.1 Å²	153.1	75%	0.75	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-85.9	132	168.2	-73.4	-69.7	0	0	0	109	E10	H8-E10 PolarHBondContact O-N 3.05Å
9	P	43.5	Very low	48.5	Very low	124 Å²	124	152.1 Å²	152.1	81%	0.805	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.8	132.2	178.7	30.8	-31.3	0	0	0	110	T11	P9-T11 PolarHBondContact O-N 3.17Å
10	E	41.6	Very low	50	Low	192 Å²	192	156.2 Å²	156.2	90%	0.897	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-51.5	119.9	174.4	-69	174.5	144.6	0	0	111.4	H8 A12	H8-E10 PolarHBondContact O-N 3.05Å; E10-A12 PolarHBondContact O-N 3.47Å
11	T	40.3	Very low	51.4	Low	135 Å²	135	156.4 Å²	156.4	83%	0.828	82%	0.821	S	S	*	*			trans	-57	113.6	164.7	18.4	0	0	0	0	110	P9 E13	P9-T11 PolarHBondContact O-N 3.17Å; T11-E13 PolarHBondContact O-N 2.94Å
12	A	41.8	Very low	53.3	Low	95 Å²	95	147.2 Å²	147.2	79%	0.785	78%	0.778	S	S	*	*			trans	-55.4	109.4	170.5	0	0	0	0	0	110.8	E10 L14	E10-A12 PolarHBondContact O-N 3.47Å; A12-L14 PolarHBondContact O-N 3.17Å
13	E	40.6	Very low	55.5	Low	180 Å²	180	144 Å²	144	84%	0.841	76%	0.755	S	S	*	*			trans	-60.4	102.6	164.9	-74.9	-171.1	149	0	0	109.1	T11 S15	T11-E13 PolarHBondContact O-N 2.94Å; E13-S15 VanDerWaalsContact C-N 3.35Å; E13-S15 PolarHBondContact O-N 3.23Å; E13-S15 PolarHBondContact O-OG 3.35Å
14	L	45.4	Very low	57.8	Low	173 Å²	173	138.9 Å²	138.9	91%	0.906	73%	0.733	S	S	*	*			trans	-55.8	100.3	165.4	-81.7	150	0	0	0	108.4	A12 K16	A12-L14 PolarHBondContact O-N 3.17Å; L14-K16 PolarHBondContact O-N 2.74Å; L14-K16 VanDerWaalsContact O-N 3.11Å
15	S	49.8	Very low	59.8	Low	109 Å²	109	138 Å²	138	76%	0.762	72%	0.724	S	S	*	*			trans	-59.3	111.1	-173.1	-38.1	0	0	0	0	109.7	E13 P17	E13-S15 VanDerWaalsContact C-N 3.35Å; E13-S15 PolarHBondContact O-N 3.23Å; E13-S15 PolarHBondContact O-OG 3.35Å; S15-P17 VanDerWaalsContact O-CD 3.22Å; S15-P17 WeakPolarHBondContact O-CD 3.41Å
16	K	53.6	Low	62.3	Low	190 Å²	190	129 Å²	129	83%	0.826	68%	0.682	S	S	*	*			trans	-50.7	115.6	168.2	-90.4	177.7	175.9	173.4	0	107.8	L14 Q18	L14-K16 PolarHBondContact O-N 2.74Å; L14-K16 VanDerWaalsContact O-N 3.11Å; K16-Q18 PolarHBondContact O-N 3.22Å
17	P	59.2	Low	64.7	Low	122 Å²	122	125.3 Å²	125.3	79%	0.792	66%	0.658	S	S	*	*			trans	-63.4	110	170.5	24.8	-29	0	0	0	106.9	S15 L19	S15-P17 VanDerWaalsContact O-CD 3.22Å; S15-P17 WeakPolarHBondContact O-CD 3.41Å; P17-L19 PolarHBondContact O-N 3.21Å; P17-L19 VanDerWaalsContact O-N 3.09Å
18	Q	68	Low	67	Low	127 Å²	127	120 Å²	120	59%	0.593	63%	0.632	S	S	*	*			trans	-72	105.2	176.5	-67.5	-177.2	9.1	0	0	106.6	K16 R20 M21	K16-Q18 PolarHBondContact O-N 3.22Å; Q18-R20 PolarHBondContact O-N 3.07Å; Q18-M21 HydrophobicContact CB-CG 4.26Å; Q18-M21 PolarHBondContact O-N 3.5Å
19	L	77.5	Confident	69.5	Low	133 Å²	133	112.5 Å²	112.5	70%	0.696	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-41.6	-29.8	172.7	-86.9	149.3	0	0	0	113.1	P17 M21 V22 L24	P17-L19 PolarHBondContact O-N 3.21Å; P17-L19 VanDerWaalsContact O-N 3.09Å; L19-M21 VanDerWaalsContact C-N 3.3Å; L19-M21 PolarHBondContact O-N 2.89Å; L19-V22 PolarHBondContact O-N 3.23Å; L19-L24 HydrophobicContact CD2-CD2 4.15Å
20	R	79.3	Confident	72	Confident	234 Å²	234	106.6 Å²	106.6	88%	0.883	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-63.4	-25.2	176.7	-164.7	173.8	-177.1	-179.7	1.1	115.1	Q18 V22	Q18-R20 PolarHBondContact O-N 3.07Å; R20-V22 VanDerWaalsContact C-N 3.29Å
21	M	79.4	Confident	74.4	Confident	161 Å²	161	98.5 Å²	98.5	79%	0.793	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-83.5	-8.6	177.8	-68	-174.7	64.2	0	0	113	Q18 L19	Q18-M21 HydrophobicContact CB-CG 4.26Å; Q18-M21 PolarHBondContact O-N 3.5Å; L19-M21 VanDerWaalsContact C-N 3.3Å; L19-M21 PolarHBondContact O-N 2.89Å
22	V	83.5	Confident	76.9	Confident	46 Å²	46	92.2 Å²	92.2	28%	0.279	48%	0.484	S	S	.	.	S	Bend	trans	-99.6	131.8	-177.7	170.5	0	0	0	0	109.2	L19 R20 L24 M63	L19-V22 PolarHBondContact O-N 3.23Å; R20-V22 VanDerWaalsContact C-N 3.29Å; V22-L24 HydrophobicContact CG1-CD2 4Å; V22-L24 PolarHBondContact O-N 3.01Å; V22-L24 VanDerWaalsContact O-N 3.09Å; V22-M63 HydrophobicContact CB-CE 4.29Å; V22-M63 HydrophobicContact CG1-CE 3.16Å; V22-M63 HydrophobicContact CG1-CG 4.42Å; V22-M63 HydrophobicContact CG1-SD 3.53Å; V22-M63 VanDerWaalsContact CG1-SD 3.53Å; V22-M63 HydrophobicContact CG2-CE 4.15Å
23	D	89.6	Confident	79.5	Confident	49 Å²	49	87.7 Å²	87.7	26%	0.262	45%	0.447	S	S	.	.			trans	-74.6	96.4	167.5	-178.3	4.8	0	0	0	109.2	N25 L26 R59	D23-N25 PolarHBondContact O-N 2.61Å; D23-N25 VanDerWaalsContact O-N 3.15Å; D23-N25 VanDerWaalsContact OD1-CB 3.27Å; D23-N25 WeakPolarHBondContact OD1-CB 3.47Å; D23-N25 PolarHBondContact OD1-N 3.13Å; D23-N25 PolarHBondContact OD1-ND2 3.36Å; D23-L26 HydrophobicContact CB-CD1 4.21Å; D23-L26 HydrophobicContact CB-CG 4.1Å; D23-L26 VanDerWaalsContact O-CB 3.22Å; D23-L26 WeakPolarHBondContact O-CB 3.22Å; D23-L26 WeakPolarHBondContact O-CG 3.31Å; D23-L26 PolarHBondContact O-N 3.5Å; D23-R59 IonicContact OD2-CZ 2.84Å; D23-R59 VanDerWaalsContact OD2-CZ 3.25Å; D23-R59 IonicContact OD2-NH1 3.37Å; D23-R59 PolarHBondContact OD2-NH1 3.38Å; D23-R59 IonicContact OD2-NH2 2.63Å; D23-R59 PolarHBondContact OD2-NH2 3.4Å
24	L	91.1	Very high	81.9	Confident	89 Å²	89	79.5 Å²	79.5	47%	0.466	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17	-178.3	-65.1	178.5	0	0	0	113.1	L19 V22 L26 L27	L19-L24 HydrophobicContact CD2-CD2 4.15Å; V22-L24 HydrophobicContact CG1-CD2 4Å; V22-L24 PolarHBondContact O-N 3.01Å; V22-L24 VanDerWaalsContact O-N 3.09Å; L24-L26 PolarHBondContact O-N 3.36Å; L24-L27 HydrophobicContact CD2-CD1 3.91Å; L24-L27 WeakPolarHBondContact O-CB 3.31Å; L24-L27 PolarHBondContact O-N 2.97Å
25	N	92.6	Very high	84	Confident	112 Å²	112	75.5 Å²	75.5	60%	0.599	39%	0.385	S	S	*	.	H	α-helix	trans	-64.6	-19.3	171.3	-57.3	-54.6	0	0	0	111.9	D23 L27 T28 V29	D23-N25 PolarHBondContact O-N 2.61Å; D23-N25 VanDerWaalsContact O-N 3.15Å; D23-N25 VanDerWaalsContact OD1-CB 3.27Å; D23-N25 WeakPolarHBondContact OD1-CB 3.47Å; D23-N25 PolarHBondContact OD1-N 3.13Å; D23-N25 PolarHBondContact OD1-ND2 3.36Å; N25-L27 PolarHBondContact O-N 3.23Å; N25-T28 PolarHBondContact O-N 3.47Å; N25-T28 PolarHBondContact O-OG1 2.91Å; N25-V29 PolarHBondContact O-N 2.82Å
26	L	95.7	Very high	85.9	Confident	7 Å²	7	73.2 Å²	73.2	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-63.8	-29.7	171.5	-66.3	178.8	0	0	0	111.8	D23 L24 V29 F30 A56 R59 L60 M63	D23-L26 HydrophobicContact CB-CD1 4.21Å; D23-L26 HydrophobicContact CB-CG 4.1Å; D23-L26 VanDerWaalsContact O-CB 3.22Å; D23-L26 WeakPolarHBondContact O-CB 3.22Å; D23-L26 WeakPolarHBondContact O-CG 3.31Å; D23-L26 PolarHBondContact O-N 3.5Å; L24-L26 PolarHBondContact O-N 3.36Å; L26-V29 PolarHBondContact O-N 2.81Å; L26-F30 WeakPolarHBondContact O-CB 3.44Å; L26-F30 PolarHBondContact O-N 3Å; L26-A56 HydrophobicContact CD2-CB 3.77Å; L26-R59 HydrophobicContact CD1-CB 3.85Å; L26-R59 HydrophobicContact CD2-CB 3.92Å; L26-L60 HydrophobicContact CB-CD2 3.73Å; L26-L60 HydrophobicContact CB-CG 3.97Å; L26-L60 HydrophobicContact CD2-CG 4.5Å; L26-L60 WeakPolarHBondContact O-CD2 3.36Å; L26-M63 HydrophobicContact CB-SD 4.49Å; L26-M63 HydrophobicContact CD1-SD 4.09Å
27	L	95	Very high	87.7	Confident	26 Å²	26	67.5 Å²	67.5	14%	0.136	34%	0.339	C	S	.	.	H	α-helix	trans	-68.9	-35	179.2	-59.3	-175.6	0	0	0	111.9	L24 N25 V29 F30 D31 M63 F64 V89 L93	L24-L27 HydrophobicContact CD2-CD1 3.91Å; L24-L27 WeakPolarHBondContact O-CB 3.31Å; L24-L27 PolarHBondContact O-N 2.97Å; N25-L27 PolarHBondContact O-N 3.23Å; L27-V29 VanDerWaalsContact C-N 3.33Å; L27-F30 WeakPolarHBondContact O-CB 3.49Å; L27-F30 PolarHBondContact O-N 3.36Å; L27-D31 WeakPolarHBondContact O-CB 3.43Å; L27-D31 PolarHBondContact O-N 3.42Å; L27-M63 HydrophobicContact CD2-CE 4.17Å; L27-F64 HydrophobicContact CD2-CE2 4.11Å; L27-F64 HydrophobicContact CD2-CZ 3.89Å; L27-V89 HydrophobicContact CB-CG1 3.88Å; L27-V89 HydrophobicContact CD1-CG1 4.44Å; L27-V89 HydrophobicContact CD2-CG1 4.08Å; L27-V89 HydrophobicContact CD2-CG2 4.36Å; L27-V89 HydrophobicContact CG-CG1 4.35Å; L27-L93 HydrophobicContact CB-CD1 4.39Å; L27-L93 HydrophobicContact CB-CD2 4.19Å; L27-L93 WeakPolarHBondContact O-CD1 3.32Å
28	T	94.4	Very high	89.3	Confident	53 Å²	53	64 Å²	64	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-67.7	-37	174.3	63.5	0	0	0	0	111.2	N25 D31 A32 L93	N25-T28 PolarHBondContact O-N 3.47Å; N25-T28 PolarHBondContact O-OG1 2.91Å; T28-D31 PolarHBondContact O-N 2.86Å; T28-A32 PolarHBondContact O-N 2.91Å; T28-A32 VanDerWaalsContact O-N 3.12Å; T28-L93 HydrophobicContact CG2-CD2 3.86Å
29	V	96.7	Very high	90.6	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.03	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-45.5	172.4	-179.9	0	0	0	0	111.1	N25 L26 L27 D31 A32 V33 L46 M48 V53 A56 V57 L60	N25-V29 PolarHBondContact O-N 2.82Å; L26-V29 PolarHBondContact O-N 2.81Å; L27-V29 VanDerWaalsContact C-N 3.33Å; V29-D31 VanDerWaalsContact C-N 3.32Å; V29-D31 PolarHBondContact O-N 3.2Å; V29-A32 PolarHBondContact O-N 3.24Å; V29-V33 HydrophobicContact CG1-CG2 4.01Å; V29-V33 WeakPolarHBondContact O-CB 3.05Å; V29-V33 WeakPolarHBondContact O-CG2 3.24Å; V29-V33 PolarHBondContact O-N 3.24Å; V29-L46 HydrophobicContact CB-CD1 4.32Å; V29-L46 HydrophobicContact CG1-CD1 4.29Å; V29-L46 HydrophobicContact CG2-CD1 4.09Å; V29-M48 HydrophobicContact CG2-CE 4.45Å; V29-M48 HydrophobicContact CG2-SD 4.04Å; V29-V53 HydrophobicContact CG1-CG1 4.01Å; V29-A56 HydrophobicContact CB-CB 4.11Å; V29-A56 HydrophobicContact CG1-CB 3.77Å; V29-A56 HydrophobicContact CG2-CB 3.84Å; V29-V57 HydrophobicContact CG1-CG2 4.46Å; V29-L60 HydrophobicContact CG1-CD1 4.44Å
30	F	96.5	Very high	91.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.6	-46.9	177	173.2	-101.4	0	0	0	111.6	L26 L27 V33 M34 L60 L68 F69 A82 L85 F86 V89	L26-F30 WeakPolarHBondContact O-CB 3.44Å; L26-F30 PolarHBondContact O-N 3Å; L27-F30 WeakPolarHBondContact O-CB 3.49Å; L27-F30 PolarHBondContact O-N 3.36Å; F30-V33 PolarHBondContact O-N 3.33Å; F30-M34 HydrophobicContact CD1-CG 4.37Å; F30-M34 HydrophobicContact CD2-CG 4.27Å; F30-M34 HydrophobicContact CE1-CG 4.02Å; F30-M34 HydrophobicContact CE2-CG 3.87Å; F30-M34 HydrophobicContact CE2-SD 4.18Å; F30-M34 HydrophobicContact CG-CG 4.5Å; F30-M34 HydrophobicContact CZ-CG 3.74Å; F30-M34 HydrophobicContact CZ-SD 4.12Å; F30-M34 WeakPolarHBondContact O-CB 3.39Å; F30-M34 VanDerWaalsContact O-CG 3.29Å; F30-M34 WeakPolarHBondContact O-CG 3.36Å; F30-M34 PolarHBondContact O-N 3.22Å; F30-L60 HydrophobicContact CB-CD1 3.7Å; F30-L60 HydrophobicContact CB-CD2 3.92Å; F30-L60 HydrophobicContact CB-CG 4.48Å; F30-L60 HydrophobicContact CD2-CD1 4.48Å; F30-L68 HydrophobicContact CD2-CD1 4.29Å; F30-L68 HydrophobicContact CE2-CD1 4.3Å; F30-L68 HydrophobicContact CE2-CD2 4.48Å; F30-F69 AromaticContact CD2-CE2 3.85Å; F30-F69 HydrophobicContact CD2-CE2 3.85Å; F30-F69 AromaticContact CD2-CZ 3.64Å; F30-F69 HydrophobicContact CD2-CZ 3.64Å; F30-F69 HydrophobicContact CE2-CE2 4.19Å; F30-F69 AromaticContact CE2-CZ 3.8Å; F30-F69 HydrophobicContact CE2-CZ 3.8Å; F30-A82 HydrophobicContact CE2-CB 3.91Å; F30-A82 HydrophobicContact CZ-CB 4.23Å; F30-L85 HydrophobicContact CE1-CB 4.31Å; F30-L85 HydrophobicContact CZ-CB 3.96Å; F30-F86 HydrophobicContact CE1-CB 4.33Å; F30-F86 HydrophobicContact CE1-CD2 4.15Å; F30-F86 HydrophobicContact CZ-CB 4.49Å; F30-V89 HydrophobicContact CD1-CB 4.18Å; F30-V89 HydrophobicContact CD1-CG1 3.83Å; F30-V89 HydrophobicContact CD1-CG2 4.37Å; F30-V89 HydrophobicContact CE1-CB 4.11Å; F30-V89 HydrophobicContact CE1-CG1 4.28Å; F30-V89 HydrophobicContact CE1-CG2 4.17Å
31	D	92.8	Very high	92.1	Very high	22 Å²	22	52.8 Å²	52.8	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-46.2	179.8	-176.9	68.7	0	0	0	112.7	L27 T28 V29 M34 Q35 F86 R90 L93	L27-D31 WeakPolarHBondContact O-CB 3.43Å; L27-D31 PolarHBondContact O-N 3.42Å; T28-D31 PolarHBondContact O-N 2.86Å; V29-D31 VanDerWaalsContact C-N 3.32Å; V29-D31 PolarHBondContact O-N 3.2Å; D31-M34 PolarHBondContact O-N 2.85Å; D31-Q35 WeakPolarHBondContact O-CG 3.35Å; D31-Q35 PolarHBondContact O-N 3.26Å; D31-Q35 VanDerWaalsContact O-N 3.15Å; D31-Q35 PolarHBondContact O-NE2 2.82Å; D31-Q35 PolarHBondContact OD2-NE2 2.78Å; D31-F86 WeakPolarHBondContact OD1-CE2 3.36Å; D31-R90 VanDerWaalsContact CG-NH1 3.29Å; D31-R90 WeakPolarHBondContact OD1-CG 3.31Å; D31-R90 IonicContact OD1-CZ 3.18Å; D31-R90 IonicContact OD1-NH1 3.17Å; D31-R90 PolarHBondContact OD1-NH1 2.91Å; D31-R90 IonicContact OD2-NH1 3.25Å; D31-R90 PolarHBondContact OD2-NH1 3.34Å; D31-R90 VanDerWaalsContact OD2-NH1 3.14Å; D31-L93 HydrophobicContact CB-CD1 3.67Å
32	A	93.1	Very high	92.8	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-39.8	176.6	0	0	0	0	0	112.7	T28 V29 Q35 E36 A42 L46	T28-A32 PolarHBondContact O-N 2.91Å; T28-A32 VanDerWaalsContact O-N 3.12Å; V29-A32 PolarHBondContact O-N 3.24Å; A32-Q35 PolarHBondContact O-N 3.2Å; A32-E36 WeakPolarHBondContact O-CB 3.25Å; A32-E36 WeakPolarHBondContact O-CG 3.44Å; A32-E36 PolarHBondContact O-N 2.91Å; A32-A42 HydrophobicContact CB-CB 4.36Å; A32-L46 HydrophobicContact CB-CD1 3.76Å; A32-L46 HydrophobicContact CB-CD2 3.74Å; A32-L46 HydrophobicContact CB-CG 3.69Å
33	V	95	Very high	93.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-68.7	-36.8	179	174.7	0	0	0	0	111.6	V29 F30 Q37 I39 A42 V53 V57 F69 I76	V29-V33 HydrophobicContact CG1-CG2 4.01Å; V29-V33 WeakPolarHBondContact O-CB 3.05Å; V29-V33 WeakPolarHBondContact O-CG2 3.24Å; V29-V33 PolarHBondContact O-N 3.24Å; F30-V33 PolarHBondContact O-N 3.33Å; V33-Q37 WeakPolarHBondContact O-CA 3.42Å; V33-Q37 PolarHBondContact O-N 3.43Å; V33-I39 HydrophobicContact CG1-CD1 4.13Å; V33-I39 HydrophobicContact CG2-CD1 4.21Å; V33-A42 HydrophobicContact CG2-CB 3.8Å; V33-V53 HydrophobicContact CG2-CG1 3.84Å; V33-V57 HydrophobicContact CG1-CG2 4.4Å; V33-V57 HydrophobicContact CG2-CG2 4.01Å; V33-F69 HydrophobicContact CB-CE1 4.33Å; V33-F69 HydrophobicContact CB-CZ 4.05Å; V33-F69 HydrophobicContact CG1-CD1 3.88Å; V33-F69 HydrophobicContact CG1-CD2 4.3Å; V33-F69 HydrophobicContact CG1-CE1 3.56Å; V33-F69 HydrophobicContact CG1-CE2 4.01Å; V33-F69 HydrophobicContact CG1-CG 4.23Å; V33-F69 HydrophobicContact CG1-CZ 3.62Å; V33-I76 HydrophobicContact CG1-CD1 3.3Å
34	M	92.5	Very high	93.7	Very high	7 Å²	7	48.4 Å²	48.4	3%	0.034	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-44.1	173.9	-80.9	-68.1	-51.4	0	0	112.5	F30 D31 Q37 F69 P78 A82 F83 F86 Y159	F30-M34 HydrophobicContact CD1-CG 4.37Å; F30-M34 HydrophobicContact CD2-CG 4.27Å; F30-M34 HydrophobicContact CE1-CG 4.02Å; F30-M34 HydrophobicContact CE2-CG 3.87Å; F30-M34 HydrophobicContact CE2-SD 4.18Å; F30-M34 HydrophobicContact CG-CG 4.5Å; F30-M34 HydrophobicContact CZ-CG 3.74Å; F30-M34 HydrophobicContact CZ-SD 4.12Å; F30-M34 WeakPolarHBondContact O-CB 3.39Å; F30-M34 VanDerWaalsContact O-CG 3.29Å; F30-M34 WeakPolarHBondContact O-CG 3.36Å; F30-M34 PolarHBondContact O-N 3.22Å; D31-M34 PolarHBondContact O-N 2.85Å; M34-Q37 WeakPolarHBondContact O-CG 3.42Å; M34-F69 HydrophobicContact CG-CE1 3.96Å; M34-F69 HydrophobicContact CG-CZ 3.94Å; M34-F69 HydrophobicContact SD-CE1 3.63Å; M34-F69 HydrophobicContact SD-CZ 4.04Å; M34-P78 HydrophobicContact CE-CB 3.89Å; M34-P78 HydrophobicContact CE-CG 3.79Å; M34-P78 HydrophobicContact SD-CB 3.51Å; M34-P78 VanDerWaalsContact SD-CB 3.51Å; M34-P78 HydrophobicContact SD-CG 3.54Å; M34-P78 VanDerWaalsContact SD-CG 3.54Å; M34-A82 HydrophobicContact SD-CB 3.77Å; M34-F83 HydrophobicContact CE-CD1 3.82Å; M34-F83 HydrophobicContact CE-CE1 4.03Å; M34-F86 HydrophobicContact CB-CD2 3.36Å; M34-F86 HydrophobicContact CB-CE2 3.29Å; M34-F86 HydrophobicContact CB-CG 4.27Å; M34-F86 HydrophobicContact CB-CZ 4.14Å; M34-F86 HydrophobicContact CE-CB 3.84Å; M34-F86 HydrophobicContact CE-CD2 4.08Å; M34-F86 HydrophobicContact CE-CG 3.91Å; M34-F86 HydrophobicContact CG-CD2 3.5Å; M34-F86 VanDerWaalsContact CG-CD2 3.5Å; M34-F86 HydrophobicContact CG-CE2 3.98Å; M34-F86 HydrophobicContact CG-CG 4.27Å; M34-Y159 HydrophobicContact CE-CD1 4.25Å; M34-Y159 HydrophobicContact CE-CE1 4.47Å
35	Q	88.2	Confident	93.7	Very high	90 Å²	90	48.3 Å²	48.3	42%	0.421	24%	0.243	S	C	.	.	H	α-helix	trans	-68.4	-48.3	178.8	-73.7	175.2	98.4	0	0	112.4	D31 A32 F86 R90	D31-Q35 WeakPolarHBondContact O-CG 3.35Å; D31-Q35 PolarHBondContact O-N 3.26Å; D31-Q35 VanDerWaalsContact O-N 3.15Å; D31-Q35 PolarHBondContact O-NE2 2.82Å; D31-Q35 PolarHBondContact OD2-NE2 2.78Å; A32-Q35 PolarHBondContact O-N 3.2Å; Q35-F86 HydrophobicContact CG-CE2 4.45Å; Q35-F86 HydrophobicContact CG-CZ 3.98Å; Q35-R90 VanDerWaalsContact OE1-NH1 3.16Å
36	E	90.7	Very high	93.8	Very high	61 Å²	61	45.4 Å²	45.4	29%	0.285	23%	0.227	S	C	.	.	H	α-helix	trans	-81.8	-25.8	-172.2	-69.7	-59.1	145.5	0	0	113.4	A32 N38 R41 A42 V45	A32-E36 WeakPolarHBondContact O-CB 3.25Å; A32-E36 WeakPolarHBondContact O-CG 3.44Å; A32-E36 PolarHBondContact O-N 2.91Å; E36-N38 WeakPolarHBondContact O-CB 3.49Å; E36-N38 PolarHBondContact O-N 3.27Å; E36-R41 HydrophobicContact CB-CB 4.05Å; E36-R41 HydrophobicContact CG-CB 4.05Å; E36-R41 VanDerWaalsContact OE2-CB 3.3Å; E36-R41 WeakPolarHBondContact OE2-CB 3.48Å; E36-R41 WeakPolarHBondContact OE2-CD 3.38Å; E36-A42 HydrophobicContact CB-CB 4.3Å; E36-A42 HydrophobicContact CG-CB 4.43Å; E36-V45 HydrophobicContact CG-CG2 4.25Å
37	Q	90.5	Very high	93.8	Very high	70 Å²	70	48.6 Å²	48.6	33%	0.327	26%	0.262	S	S	.	.	S	Bend	trans	49.4	25.2	-172.5	-56.1	-176.1	10.6	0	0	113	V33 M34 I76	V33-Q37 WeakPolarHBondContact O-CA 3.42Å; V33-Q37 PolarHBondContact O-N 3.43Å; M34-Q37 WeakPolarHBondContact O-CG 3.42Å; Q37-I76 WeakPolarHBondContact O-CG1 3.4Å; Q37-I76 PolarHBondContact O-N 3.46Å
38	N	93.2	Very high	93.9	Very high	47 Å²	47	50.9 Å²	50.9	25%	0.251	27%	0.272	S	S	.	.			trans	-151.6	118.1	-174.7	-174.5	-63.2	0	0	0	109.7	E36 T40 R41 A42	E36-N38 WeakPolarHBondContact O-CB 3.49Å; E36-N38 PolarHBondContact O-N 3.27Å; N38-T40 VanDerWaalsContact C-N 3.31Å; N38-T40 PolarHBondContact O-N 2.97Å; N38-T40 WeakPolarHBondContact OD1-CA 3.22Å; N38-T40 WeakPolarHBondContact OD1-CB 3.34Å; N38-T40 PolarHBondContact OD1-N 3.33Å; N38-R41 HydrophobicContact CB-CB 4.15Å; N38-R41 HydrophobicContact CB-CG 4.18Å; N38-R41 PolarHBondContact O-N 3.19Å; N38-R41 PolarHBondContact OD1-N 3.41Å; N38-R41 VanDerWaalsContact OD1-N 3.07Å; N38-A42 WeakPolarHBondContact O-CB 3.31Å; N38-A42 PolarHBondContact O-N 2.91Å
39	I	94.5	Very high	94	Very high	29 Å²	29	51.6 Å²	51.6	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-62	-37.3	-176.1	-60.4	-65.2	0	0	0	112.2	V33 A43 Q50 V53 V57 I76	V33-I39 HydrophobicContact CG1-CD1 4.13Å; V33-I39 HydrophobicContact CG2-CD1 4.21Å; I39-A43 VanDerWaalsContact O-CB 3.28Å; I39-A43 WeakPolarHBondContact O-CB 3.38Å; I39-A43 PolarHBondContact O-N 3.26Å; I39-Q50 HydrophobicContact CG2-CG 3.81Å; I39-V53 HydrophobicContact CD1-CG1 4.17Å; I39-V53 HydrophobicContact CG2-CB 4.1Å; I39-V53 HydrophobicContact CG2-CG1 3.87Å; I39-V57 HydrophobicContact CD1-CG2 3.93Å; I39-I76 HydrophobicContact CD1-CD1 3.54Å; I39-I76 HydrophobicContact CG1-CD1 3.9Å; I39-I76 HydrophobicContact CG1-CG2 4.44Å
40	T	95.1	Very high	94	Very high	76 Å²	76	56.3 Å²	56.3	47%	0.466	30%	0.301	S	S	.	.	H	α-helix	trans	-69.2	-41.5	-179.5	-55.7	0	0	0	0	111.2	N38 A43 H44 Q50	N38-T40 VanDerWaalsContact C-N 3.31Å; N38-T40 PolarHBondContact O-N 2.97Å; N38-T40 WeakPolarHBondContact OD1-CA 3.22Å; N38-T40 WeakPolarHBondContact OD1-CB 3.34Å; N38-T40 PolarHBondContact OD1-N 3.33Å; T40-A43 PolarHBondContact O-N 3.41Å; T40-H44 PolarHBondContact O-N 3.12Å; T40-H44 VanDerWaalsContact O-N 3.14Å; T40-Q50 PolarHBondContact OG1-OE1 2.9Å; T40-Q50 VanDerWaalsContact OG1-OE1 3.06Å
41	R	93.9	Very high	94	Very high	154 Å²	154	61 Å²	61	58%	0.581	33%	0.331	S	S	*	.	H	α-helix	trans	-68.7	-43.3	175.2	-66.4	-176.3	-178.2	170.5	-2.5	112	E36 N38 A43 H44 V45	E36-R41 HydrophobicContact CB-CB 4.05Å; E36-R41 HydrophobicContact CG-CB 4.05Å; E36-R41 VanDerWaalsContact OE2-CB 3.3Å; E36-R41 WeakPolarHBondContact OE2-CB 3.48Å; E36-R41 WeakPolarHBondContact OE2-CD 3.38Å; N38-R41 HydrophobicContact CB-CB 4.15Å; N38-R41 HydrophobicContact CB-CG 4.18Å; N38-R41 PolarHBondContact O-N 3.19Å; N38-R41 PolarHBondContact OD1-N 3.41Å; N38-R41 VanDerWaalsContact OD1-N 3.07Å; R41-A43 VanDerWaalsContact C-N 3.27Å; R41-A43 PolarHBondContact O-N 2.77Å; R41-H44 WeakPolarHBondContact O-CB 3.4Å; R41-H44 PolarHBondContact O-N 2.88Å; R41-H44 VanDerWaalsContact O-N 3.09Å; R41-V45 WeakPolarHBondContact O-CG2 3.41Å; R41-V45 PolarHBondContact O-N 3Å
42	A	94.9	Very high	94.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-58.2	-40.8	174.7	0	0	0	0	0	111.6	A32 V33 E36 N38 H44 V45 L46 V53	A32-A42 HydrophobicContact CB-CB 4.36Å; V33-A42 HydrophobicContact CG2-CB 3.8Å; E36-A42 HydrophobicContact CB-CB 4.3Å; E36-A42 HydrophobicContact CG-CB 4.43Å; N38-A42 WeakPolarHBondContact O-CB 3.31Å; N38-A42 PolarHBondContact O-N 2.91Å; A42-H44 PolarHBondContact O-N 3.19Å; A42-V45 PolarHBondContact O-N 3.47Å; A42-L46 WeakPolarHBondContact O-CB 3.15Å; A42-L46 WeakPolarHBondContact O-CD1 3.5Å; A42-L46 WeakPolarHBondContact O-CG 3.47Å; A42-L46 PolarHBondContact O-N 2.86Å; A42-V53 HydrophobicContact CB-CG1 4.39Å
43	A	96.6	Very high	94.4	Very high	4 Å²	4	61.4 Å²	61.4	3%	0.033	34%	0.338	C	S	.	.	H	α-helix	trans	-61	-43.4	174.8	0	0	0	0	0	112.5	I39 T40 R41 L46 G47 M48 Q50 V53	I39-A43 VanDerWaalsContact O-CB 3.28Å; I39-A43 WeakPolarHBondContact O-CB 3.38Å; I39-A43 PolarHBondContact O-N 3.26Å; T40-A43 PolarHBondContact O-N 3.41Å; R41-A43 VanDerWaalsContact C-N 3.27Å; R41-A43 PolarHBondContact O-N 2.77Å; A43-L46 PolarHBondContact O-N 3.39Å; A43-G47 PolarHBondContact O-N 3Å; A43-G47 VanDerWaalsContact O-N 3.09Å; A43-M48 CarbonylContact C-O 3.59Å; A43-M48 WeakPolarHBondContact CB-O 3.41Å; A43-M48 PolarHBondContact O-N 3.43Å; A43-M48 VanDerWaalsContact O-O 3.12Å; A43-Q50 HydrophobicContact CB-CB 4.49Å; A43-V53 HydrophobicContact CB-CB 4.36Å; A43-V53 HydrophobicContact CB-CG2 3.65Å
44	H	95.3	Very high	94.5	Very high	161 Å²	161	64.6 Å²	64.6	75%	0.745	36%	0.36	S	S	*	.	H	α-helix	trans	-61.3	-48.9	174.6	-177	-86.3	0	0	0	112	T40 R41 A42 L46 G47	T40-H44 PolarHBondContact O-N 3.12Å; T40-H44 VanDerWaalsContact O-N 3.14Å; R41-H44 WeakPolarHBondContact O-CB 3.4Å; R41-H44 PolarHBondContact O-N 2.88Å; R41-H44 VanDerWaalsContact O-N 3.09Å; A42-H44 PolarHBondContact O-N 3.19Å; H44-L46 VanDerWaalsContact C-N 3.31Å; H44-L46 PolarHBondContact O-N 3.26Å; H44-G47 PolarHBondContact O-N 2.81Å
45	V	91.4	Very high	94.7	Very high	87 Å²	87	68.9 Å²	68.9	53%	0.527	38%	0.383	S	S	.	.	H	α-helix	trans	-60.2	-39.8	179.2	171.5	0	0	0	0	111.9	E36 R41 A42 G47	E36-V45 HydrophobicContact CG-CG2 4.25Å; R41-V45 WeakPolarHBondContact O-CG2 3.41Å; R41-V45 PolarHBondContact O-N 3Å; A42-V45 PolarHBondContact O-N 3.47Å; V45-G47 VanDerWaalsContact C-N 3.34Å
46	L	94.1	Very high	95.1	Very high	51 Å²	51	64.9 Å²	64.9	27%	0.267	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.8	-179.1	-65.8	167	0	0	0	113.9	V29 A32 A42 A43 H44 M48 V53	V29-L46 HydrophobicContact CB-CD1 4.32Å; V29-L46 HydrophobicContact CG1-CD1 4.29Å; V29-L46 HydrophobicContact CG2-CD1 4.09Å; A32-L46 HydrophobicContact CB-CD1 3.76Å; A32-L46 HydrophobicContact CB-CD2 3.74Å; A32-L46 HydrophobicContact CB-CG 3.69Å; A42-L46 WeakPolarHBondContact O-CB 3.15Å; A42-L46 WeakPolarHBondContact O-CD1 3.5Å; A42-L46 WeakPolarHBondContact O-CG 3.47Å; A42-L46 PolarHBondContact O-N 2.86Å; A43-L46 PolarHBondContact O-N 3.39Å; H44-L46 VanDerWaalsContact C-N 3.31Å; H44-L46 PolarHBondContact O-N 3.26Å; L46-M48 HydrophobicContact CB-CB 4.27Å; L46-M48 HydrophobicContact CB-CG 3.84Å; L46-M48 HydrophobicContact CB-SD 3.95Å; L46-M48 HydrophobicContact CD1-SD 4.01Å; L46-M48 PolarHBondContact O-N 3.24Å; L46-V53 HydrophobicContact CD1-CG2 4.17Å
47	G	96	Very high	95.3	Very high	74 Å²	74	63.1 Å²	63.1	76%	0.763	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	29	-171	0	0	0	0	0	113.5	A43 H44 V45	A43-G47 PolarHBondContact O-N 3Å; A43-G47 VanDerWaalsContact O-N 3.09Å; H44-G47 PolarHBondContact O-N 2.81Å; V45-G47 VanDerWaalsContact C-N 3.34Å
48	M	96.6	Very high	95.6	Very high	74 Å²	74	62.3 Å²	62.3	37%	0.365	36%	0.364	S	S	.	.			trans	-108.5	162.2	-177.6	-66.7	-179.5	75.4	0	0	111.5	V29 A43 L46 A52 V53	V29-M48 HydrophobicContact CG2-CE 4.45Å; V29-M48 HydrophobicContact CG2-SD 4.04Å; A43-M48 CarbonylContact C-O 3.59Å; A43-M48 WeakPolarHBondContact CB-O 3.41Å; A43-M48 PolarHBondContact O-N 3.43Å; A43-M48 VanDerWaalsContact O-O 3.12Å; L46-M48 HydrophobicContact CB-CB 4.27Å; L46-M48 HydrophobicContact CB-CG 3.84Å; L46-M48 HydrophobicContact CB-SD 3.95Å; L46-M48 HydrophobicContact CD1-SD 4.01Å; L46-M48 PolarHBondContact O-N 3.24Å; M48-A52 HydrophobicContact CE-CB 3.78Å; M48-V53 HydrophobicContact CB-CG2 3.79Å; M48-V53 HydrophobicContact SD-CG2 4.17Å
49	S	97.1	Very high	95.7	Very high	67 Å²	67	65.2 Å²	65.2	47%	0.469	37%	0.372	S	S	.	.			trans	-77.1	148.6	167.9	72.7	0	0	0	0	110.8	P51 A52 V53	S49-P51 VanDerWaalsContact C-N 3.32Å; S49-A52 WeakPolarHBondContact O-CB 3.37Å; S49-A52 PolarHBondContact O-N 3.11Å; S49-A52 WeakPolarHBondContact OG-CB 3.39Å; S49-A52 PolarHBondContact OG-N 3Å; S49-V53 PolarHBondContact O-N 2.87Å; S49-V53 VanDerWaalsContact O-N 3.07Å
50	Q	96.1	Very high	95.8	Very high	105 Å²	105	63.8 Å²	63.8	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-54.3	-41.6	176.2	-170.1	-172.3	-36.4	0	0	112.9	I39 T40 A43 A52 V53 S54	I39-Q50 HydrophobicContact CG2-CG 3.81Å; T40-Q50 PolarHBondContact OG1-OE1 2.9Å; T40-Q50 VanDerWaalsContact OG1-OE1 3.06Å; A43-Q50 HydrophobicContact CB-CB 4.49Å; Q50-A52 VanDerWaalsContact C-N 3.33Å; Q50-A52 PolarHBondContact O-N 3.2Å; Q50-V53 PolarHBondContact O-N 3.11Å; Q50-S54 WeakPolarHBondContact O-CB 3.44Å; Q50-S54 PolarHBondContact O-N 2.79Å
51	P	97.2	Very high	95.8	Very high	98 Å²	98	64.1 Å²	64.1	64%	0.636	36%	0.359	S	S	*	.	H	α-helix	trans	-62.2	-35.3	172.9	-24.6	35.9	0	0	0	113.9	S49 S54 N55	S49-P51 VanDerWaalsContact C-N 3.32Å; P51-S54 PolarHBondContact O-N 2.92Å; P51-N55 WeakPolarHBondContact O-CB 3.46Å; P51-N55 PolarHBondContact O-N 2.6Å
52	A	97.4	Very high	95.8	Very high	34 Å²	34	62.5 Å²	62.5	28%	0.281	37%	0.366	S	S	.	.	H	α-helix	trans	-67	-43.6	177.8	0	0	0	0	0	111.7	M48 S49 Q50 N55 A56	M48-A52 HydrophobicContact CE-CB 3.78Å; S49-A52 WeakPolarHBondContact O-CB 3.37Å; S49-A52 PolarHBondContact O-N 3.11Å; S49-A52 WeakPolarHBondContact OG-CB 3.39Å; S49-A52 PolarHBondContact OG-N 3Å; Q50-A52 VanDerWaalsContact C-N 3.33Å; Q50-A52 PolarHBondContact O-N 3.2Å; A52-N55 PolarHBondContact O-N 3.4Å; A52-A56 WeakPolarHBondContact O-CB 3.29Å; A52-A56 PolarHBondContact O-N 3.46Å
53	V	97	Very high	95.6	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-63.5	-43.7	173.3	177.8	0	0	0	0	111	V29 V33 I39 A42 A43 L46 M48 S49 Q50 N55 A56 V57	V29-V53 HydrophobicContact CG1-CG1 4.01Å; V33-V53 HydrophobicContact CG2-CG1 3.84Å; I39-V53 HydrophobicContact CD1-CG1 4.17Å; I39-V53 HydrophobicContact CG2-CB 4.1Å; I39-V53 HydrophobicContact CG2-CG1 3.87Å; A42-V53 HydrophobicContact CB-CG1 4.39Å; A43-V53 HydrophobicContact CB-CB 4.36Å; A43-V53 HydrophobicContact CB-CG2 3.65Å; L46-V53 HydrophobicContact CD1-CG2 4.17Å; M48-V53 HydrophobicContact CB-CG2 3.79Å; M48-V53 HydrophobicContact SD-CG2 4.17Å; S49-V53 PolarHBondContact O-N 2.87Å; S49-V53 VanDerWaalsContact O-N 3.07Å; Q50-V53 PolarHBondContact O-N 3.11Å; V53-N55 VanDerWaalsContact C-N 3.28Å; V53-N55 PolarHBondContact O-N 3.21Å; V53-A56 PolarHBondContact O-N 3.29Å; V53-V57 HydrophobicContact CG1-CG2 4.47Å; V53-V57 WeakPolarHBondContact O-CG2 3.37Å; V53-V57 PolarHBondContact O-N 3.34Å
54	S	95.5	Very high	95.4	Very high	68 Å²	68	67.7 Å²	67.7	48%	0.476	39%	0.39	S	S	.	.	H	α-helix	trans	-60.4	-38.1	176.5	-171.2	0	0	0	0	112.5	Q50 P51 A58	Q50-S54 WeakPolarHBondContact O-CB 3.44Å; Q50-S54 PolarHBondContact O-N 2.79Å; P51-S54 PolarHBondContact O-N 2.92Å; S54-A58 PolarHBondContact O-N 2.9Å; S54-A58 VanDerWaalsContact O-N 3.15Å
55	N	96.8	Very high	95.3	Very high	97 Å²	97	67.3 Å²	67.3	52%	0.519	39%	0.394	S	S	.	.	H	α-helix	trans	-68	-43.7	175.4	-174.8	-77	0	0	0	111.4	P51 A52 V53 V57 A58 R59	P51-N55 WeakPolarHBondContact O-CB 3.46Å; P51-N55 PolarHBondContact O-N 2.6Å; A52-N55 PolarHBondContact O-N 3.4Å; V53-N55 VanDerWaalsContact C-N 3.28Å; V53-N55 PolarHBondContact O-N 3.21Å; N55-V57 VanDerWaalsContact C-N 3.33Å; N55-V57 PolarHBondContact O-N 3.44Å; N55-A58 WeakPolarHBondContact O-CB 3.3Å; N55-A58 PolarHBondContact O-N 3.05Å; N55-A58 VanDerWaalsContact O-N 3.13Å; N55-R59 WeakPolarHBondContact O-CG 3.36Å; N55-R59 PolarHBondContact O-N 3.15Å; N55-R59 VanDerWaalsContact OD1-CD 3.25Å; N55-R59 WeakPolarHBondContact OD1-CD 3.38Å
56	A	96.8	Very high	95.6	Very high	5 Å²	5	65.5 Å²	65.5	4%	0.041	38%	0.381	C	S	.	.	H	α-helix	trans	-61.1	-39.2	175.7	0	0	0	0	0	112.3	L26 V29 A52 V53 A58 R59 L60	L26-A56 HydrophobicContact CD2-CB 3.77Å; V29-A56 HydrophobicContact CB-CB 4.11Å; V29-A56 HydrophobicContact CG1-CB 3.77Å; V29-A56 HydrophobicContact CG2-CB 3.84Å; A52-A56 WeakPolarHBondContact O-CB 3.29Å; A52-A56 PolarHBondContact O-N 3.46Å; V53-A56 PolarHBondContact O-N 3.29Å; A56-A58 PolarHBondContact O-N 3.2Å; A56-R59 PolarHBondContact O-N 2.92Å; A56-L60 WeakPolarHBondContact O-CB 3.4Å; A56-L60 WeakPolarHBondContact O-CG 3.43Å; A56-L60 PolarHBondContact O-N 3.45Å
57	V	96.3	Very high	95.6	Very high	24 Å²	24	67.7 Å²	67.7	15%	0.145	39%	0.39	C	S	.	.	H	α-helix	trans	-62.5	-40.6	172.3	172.6	0	0	0	0	111.9	V29 V33 I39 V53 N55 R59 L60 K61 F69	V29-V57 HydrophobicContact CG1-CG2 4.46Å; V33-V57 HydrophobicContact CG1-CG2 4.4Å; V33-V57 HydrophobicContact CG2-CG2 4.01Å; I39-V57 HydrophobicContact CD1-CG2 3.93Å; V53-V57 HydrophobicContact CG1-CG2 4.47Å; V53-V57 WeakPolarHBondContact O-CG2 3.37Å; V53-V57 PolarHBondContact O-N 3.34Å; N55-V57 VanDerWaalsContact C-N 3.33Å; N55-V57 PolarHBondContact O-N 3.44Å; V57-R59 VanDerWaalsContact C-N 3.32Å; V57-R59 PolarHBondContact O-N 3.31Å; V57-L60 WeakPolarHBondContact O-CB 3.35Å; V57-L60 PolarHBondContact O-N 3.14Å; V57-K61 PolarHBondContact O-N 2.78Å; V57-F69 HydrophobicContact CG1-CD2 3.95Å
58	A	95.7	Very high	95.7	Very high	54 Å²	54	64.2 Å²	64.2	45%	0.446	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-37	174.2	0	0	0	0	0	112.4	S54 N55 A56 K61 V62	S54-A58 PolarHBondContact O-N 2.9Å; S54-A58 VanDerWaalsContact O-N 3.15Å; N55-A58 WeakPolarHBondContact O-CB 3.3Å; N55-A58 PolarHBondContact O-N 3.05Å; N55-A58 VanDerWaalsContact O-N 3.13Å; A56-A58 PolarHBondContact O-N 3.2Å; A58-K61 WeakPolarHBondContact O-CB 3.41Å; A58-K61 PolarHBondContact O-N 3.33Å; A58-V62 PolarHBondContact O-N 3.24Å
59	R	95.8	Very high	95.7	Very high	107 Å²	107	61.6 Å²	61.6	40%	0.404	34%	0.34	S	S	.	.	H	α-helix	trans	-69.5	-38.7	174.8	-67.7	171.8	64.9	-148.8	-1.8	112.2	D23 L26 N55 A56 V57 K61 V62 M63	D23-R59 IonicContact OD2-CZ 2.84Å; D23-R59 VanDerWaalsContact OD2-CZ 3.25Å; D23-R59 IonicContact OD2-NH1 3.37Å; D23-R59 PolarHBondContact OD2-NH1 3.38Å; D23-R59 IonicContact OD2-NH2 2.63Å; D23-R59 PolarHBondContact OD2-NH2 3.4Å; L26-R59 HydrophobicContact CD1-CB 3.85Å; L26-R59 HydrophobicContact CD2-CB 3.92Å; N55-R59 WeakPolarHBondContact O-CG 3.36Å; N55-R59 PolarHBondContact O-N 3.15Å; N55-R59 VanDerWaalsContact OD1-CD 3.25Å; N55-R59 WeakPolarHBondContact OD1-CD 3.38Å; A56-R59 PolarHBondContact O-N 2.92Å; V57-R59 VanDerWaalsContact C-N 3.32Å; V57-R59 PolarHBondContact O-N 3.31Å; R59-K61 VanDerWaalsContact C-N 3.3Å; R59-K61 PolarHBondContact O-N 3.2Å; R59-V62 PolarHBondContact O-N 2.85Å; R59-M63 WeakPolarHBondContact O-CB 3.4Å; R59-M63 PolarHBondContact O-N 3.43Å
60	L	95.8	Very high	95.6	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57.3	-44.6	172.3	-82.5	165.1	0	0	0	111.1	L26 V29 F30 A56 V57 V62 M63 F64 L68	L26-L60 HydrophobicContact CB-CD2 3.73Å; L26-L60 HydrophobicContact CB-CG 3.97Å; L26-L60 HydrophobicContact CD2-CG 4.5Å; L26-L60 WeakPolarHBondContact O-CD2 3.36Å; V29-L60 HydrophobicContact CG1-CD1 4.44Å; F30-L60 HydrophobicContact CB-CD1 3.7Å; F30-L60 HydrophobicContact CB-CD2 3.92Å; F30-L60 HydrophobicContact CB-CG 4.48Å; F30-L60 HydrophobicContact CD2-CD1 4.48Å; A56-L60 WeakPolarHBondContact O-CB 3.4Å; A56-L60 WeakPolarHBondContact O-CG 3.43Å; A56-L60 PolarHBondContact O-N 3.45Å; V57-L60 WeakPolarHBondContact O-CB 3.35Å; V57-L60 PolarHBondContact O-N 3.14Å; L60-V62 VanDerWaalsContact C-N 3.34Å; L60-V62 PolarHBondContact O-N 2.75Å; L60-M63 PolarHBondContact O-N 3.05Å; L60-F64 HydrophobicContact CD2-CD2 4.02Å; L60-F64 HydrophobicContact CD2-CE2 3.69Å; L60-F64 WeakPolarHBondContact O-CD2 3.28Å; L60-F64 PolarHBondContact O-N 3.14Å; L60-L68 HydrophobicContact CB-CD1 4.02Å
61	K	95.4	Very high	95.3	Very high	82 Å²	82	67.8 Å²	67.8	36%	0.357	36%	0.356	S	S	.	.	H	α-helix	trans	-57.2	-45.3	176.1	166.8	178.4	176.4	170.4	0	112.7	V57 A58 R59 N65 D66 E67	V57-K61 PolarHBondContact O-N 2.78Å; A58-K61 WeakPolarHBondContact O-CB 3.41Å; A58-K61 PolarHBondContact O-N 3.33Å; R59-K61 VanDerWaalsContact C-N 3.3Å; R59-K61 PolarHBondContact O-N 3.2Å; K61-N65 VanDerWaalsContact O-CA 3.27Å; K61-N65 WeakPolarHBondContact O-CA 3.21Å; K61-N65 PolarHBondContact O-N 3.39Å; K61-D66 WeakPolarHBondContact CA-O 3.39Å; K61-D66 WeakPolarHBondContact CG-O 3.4Å; K61-D66 PolarHBondContact O-N 2.9Å; K61-E67 WeakPolarHBondContact CD-OE2 3.3Å; K61-E67 WeakPolarHBondContact CE-OE1 3.26Å; K61-E67 VanDerWaalsContact CE-OE2 3.3Å; K61-E67 WeakPolarHBondContact CE-OE2 3.39Å; K61-E67 IonicContact NZ-OE1 2.71Å; K61-E67 PolarHBondContact NZ-OE1 3.21Å; K61-E67 IonicContact NZ-OE2 2.89Å; K61-E67 PolarHBondContact NZ-OE2 2.92Å
62	V	93.4	Very high	94.9	Very high	120 Å²	120	71 Å²	71	73%	0.727	36%	0.357	S	S	*	.	H	α-helix	trans	-67	-44.3	176.9	176.8	0	0	0	0	111	A58 R59 L60 F64 N65	A58-V62 PolarHBondContact O-N 3.24Å; R59-V62 PolarHBondContact O-N 2.85Å; L60-V62 VanDerWaalsContact C-N 3.34Å; L60-V62 PolarHBondContact O-N 2.75Å; V62-F64 PolarHBondContact O-N 2.76Å; V62-N65 PolarHBondContact O-N 3.38Å
63	M	92.3	Very high	94.3	Very high	66 Å²	66	73.2 Å²	73.2	33%	0.325	38%	0.383	S	S	.	.	H	α-helix	trans	-59.8	-44.5	-179.3	174.9	-172	162	0	0	112.5	V22 L26 L27 R59 L60	V22-M63 HydrophobicContact CB-CE 4.29Å; V22-M63 HydrophobicContact CG1-CE 3.16Å; V22-M63 HydrophobicContact CG1-CG 4.42Å; V22-M63 HydrophobicContact CG1-SD 3.53Å; V22-M63 VanDerWaalsContact CG1-SD 3.53Å; V22-M63 HydrophobicContact CG2-CE 4.15Å; L26-M63 HydrophobicContact CB-SD 4.49Å; L26-M63 HydrophobicContact CD1-SD 4.09Å; L27-M63 HydrophobicContact CD2-CE 4.17Å; R59-M63 WeakPolarHBondContact O-CB 3.4Å; R59-M63 PolarHBondContact O-N 3.43Å; L60-M63 PolarHBondContact O-N 3.05Å
64	F	92.1	Very high	93.5	Very high	47 Å²	47	85.7 Å²	85.7	21%	0.206	43%	0.43	C	S	.	.	H	α-helix	trans	-91.9	-7.7	-178.5	-75.9	-77.7	0	0	0	113.8	L27 L60 V62 D66 L68 L85	L27-F64 HydrophobicContact CD2-CE2 4.11Å; L27-F64 HydrophobicContact CD2-CZ 3.89Å; L60-F64 HydrophobicContact CD2-CD2 4.02Å; L60-F64 HydrophobicContact CD2-CE2 3.69Å; L60-F64 WeakPolarHBondContact O-CD2 3.28Å; L60-F64 PolarHBondContact O-N 3.14Å; V62-F64 PolarHBondContact O-N 2.76Å; F64-D66 PolarHBondContact O-N 3.35Å; F64-L68 HydrophobicContact CB-CD1 4.01Å; F64-L68 HydrophobicContact CB-CD2 4.37Å; F64-L68 HydrophobicContact CB-CG 4.41Å; F64-L68 HydrophobicContact CD2-CD1 3.62Å; F64-L68 HydrophobicContact CE2-CD1 4.41Å; F64-L68 HydrophobicContact CG-CD1 4.04Å; F64-L85 HydrophobicContact CD1-CD1 3.57Å; F64-L85 HydrophobicContact CD1-CD2 4.49Å; F64-L85 HydrophobicContact CE1-CD1 3.68Å; F64-L85 HydrophobicContact CE1-CD2 4.1Å; F64-L85 HydrophobicContact CE1-CG 4.49Å; F64-L85 HydrophobicContact CG-CD1 4.12Å; F64-L85 HydrophobicContact CZ-CD1 4.3Å
65	N	93.7	Very high	93	Very high	154 Å²	154	83.6 Å²	83.6	82%	0.824	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	42.1	-172.1	-167.1	47	0	0	0	112.5	K61 V62	K61-N65 VanDerWaalsContact O-CA 3.27Å; K61-N65 WeakPolarHBondContact O-CA 3.21Å; K61-N65 PolarHBondContact O-N 3.39Å; V62-N65 PolarHBondContact O-N 3.38Å
66	D	95.6	Very high	92.8	Very high	49 Å²	49	80.4 Å²	80.4	26%	0.262	40%	0.402	S	S	.	.	S	Bend	trans	-147.8	148.2	179.8	-172.4	-89.2	0	0	0	108.8	K61 F64 L68 T79 R81	K61-D66 WeakPolarHBondContact CA-O 3.39Å; K61-D66 WeakPolarHBondContact CG-O 3.4Å; K61-D66 PolarHBondContact O-N 2.9Å; F64-D66 PolarHBondContact O-N 3.35Å; D66-L68 HydrophobicContact CB-CD2 4.11Å; D66-L68 HydrophobicContact CB-CG 4.3Å; D66-L68 PolarHBondContact O-N 3.38Å; D66-L68 WeakPolarHBondContact OD1-CA 3.49Å; D66-L68 PolarHBondContact OD1-N 3.39Å; D66-T79 PolarHBondContact OD1-OG1 2.77Å; D66-T79 VanDerWaalsContact OD1-OG1 3.06Å; D66-R81 HydrophobicContact CB-CB 4.48Å; D66-R81 HydrophobicContact CB-CG 3.99Å; D66-R81 WeakPolarHBondContact OD1-CB 3.2Å; D66-R81 WeakPolarHBondContact OD2-CB 3.24Å
67	E	95.8	Very high	92.6	Very high	97 Å²	97	83.8 Å²	83.8	45%	0.453	42%	0.417	S	S	.	.			trans	-59.5	-33.6	178.3	-67.7	-62.1	143.2	0	0	112.5	K61 F69 T79	K61-E67 WeakPolarHBondContact CD-OE2 3.3Å; K61-E67 WeakPolarHBondContact CE-OE1 3.26Å; K61-E67 VanDerWaalsContact CE-OE2 3.3Å; K61-E67 WeakPolarHBondContact CE-OE2 3.39Å; K61-E67 IonicContact NZ-OE1 2.71Å; K61-E67 PolarHBondContact NZ-OE1 3.21Å; K61-E67 IonicContact NZ-OE2 2.89Å; K61-E67 PolarHBondContact NZ-OE2 2.92Å; E67-F69 PolarHBondContact O-N 3.13Å; E67-T79 HydrophobicContact CB-CG2 4.25Å
68	L	96.7	Very high	92.5	Very high	1 Å²	1	83 Å²	83	1%	0.005	41%	0.412	C	S	.	.			trans	57.9	-35.5	-173.3	-60.8	175.7	0	0	0	115.6	F30 L60 F64 D66 P78 T79 R81 A82 L85	F30-L68 HydrophobicContact CD2-CD1 4.29Å; F30-L68 HydrophobicContact CE2-CD1 4.3Å; F30-L68 HydrophobicContact CE2-CD2 4.48Å; L60-L68 HydrophobicContact CB-CD1 4.02Å; F64-L68 HydrophobicContact CB-CD1 4.01Å; F64-L68 HydrophobicContact CB-CD2 4.37Å; F64-L68 HydrophobicContact CB-CG 4.41Å; F64-L68 HydrophobicContact CD2-CD1 3.62Å; F64-L68 HydrophobicContact CE2-CD1 4.41Å; F64-L68 HydrophobicContact CG-CD1 4.04Å; D66-L68 HydrophobicContact CB-CD2 4.11Å; D66-L68 HydrophobicContact CB-CG 4.3Å; D66-L68 PolarHBondContact O-N 3.38Å; D66-L68 WeakPolarHBondContact OD1-CA 3.49Å; D66-L68 PolarHBondContact OD1-N 3.39Å; L68-P78 CarbonylContact O-C 3.52Å; L68-P78 WeakPolarHBondContact O-CA 3.1Å; L68-T79 WeakPolarHBondContact CA-OG1 3.38Å; L68-T79 PolarHBondContact O-N 3.11Å; L68-T79 PolarHBondContact O-OG1 2.85Å; L68-R81 HydrophobicContact CD2-CG 4.11Å; L68-A82 HydrophobicContact CB-CB 4.13Å; L68-A82 HydrophobicContact CD2-CB 4.04Å; L68-A82 WeakPolarHBondContact O-CB 3.44Å; L68-L85 HydrophobicContact CD2-CD1 3.77Å
69	F	96.7	Very high	92.5	Very high	18 Å²	18	81.6 Å²	81.6	8%	0.079	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134.9	179.4	-53.5	-82.7	0	0	0	109.9	F30 V33 M34 V57 E67 I76 Q77 P78	F30-F69 AromaticContact CD2-CE2 3.85Å; F30-F69 HydrophobicContact CD2-CE2 3.85Å; F30-F69 AromaticContact CD2-CZ 3.64Å; F30-F69 HydrophobicContact CD2-CZ 3.64Å; F30-F69 HydrophobicContact CE2-CE2 4.19Å; F30-F69 AromaticContact CE2-CZ 3.8Å; F30-F69 HydrophobicContact CE2-CZ 3.8Å; V33-F69 HydrophobicContact CB-CE1 4.33Å; V33-F69 HydrophobicContact CB-CZ 4.05Å; V33-F69 HydrophobicContact CG1-CD1 3.88Å; V33-F69 HydrophobicContact CG1-CD2 4.3Å; V33-F69 HydrophobicContact CG1-CE1 3.56Å; V33-F69 HydrophobicContact CG1-CE2 4.01Å; V33-F69 HydrophobicContact CG1-CG 4.23Å; V33-F69 HydrophobicContact CG1-CZ 3.62Å; M34-F69 HydrophobicContact CG-CE1 3.96Å; M34-F69 HydrophobicContact CG-CZ 3.94Å; M34-F69 HydrophobicContact SD-CE1 3.63Å; M34-F69 HydrophobicContact SD-CZ 4.04Å; V57-F69 HydrophobicContact CG1-CD2 3.95Å; E67-F69 PolarHBondContact O-N 3.13Å; F69-I76 HydrophobicContact CB-CD1 4.37Å; F69-I76 HydrophobicContact CD1-CD1 4.18Å; F69-I76 HydrophobicContact CG-CD1 4.35Å; F69-Q77 CarbonylContact C-O 3.6Å; F69-Q77 WeakPolarHBondContact CA-O 3.44Å; F69-P78 HydrophobicContact CD1-CB 4.36Å; F69-P78 HydrophobicContact CD1-CG 4.3Å; F69-P78 HydrophobicContact CE1-CB 4.37Å; F69-P78 HydrophobicContact CE1-CG 4.23Å
70	V	94.9	Very high	92.3	Very high	66 Å²	66	80 Å²	80	40%	0.4	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	152.3	175.3	-65.4	0	0	0	0	110	Y72 I76 Q77 T79	V70-Y72 PolarHBondContact O-N 3.32Å; V70-I76 CarbonylContact O-C 3.57Å; V70-I76 VanDerWaalsContact O-CA 3.27Å; V70-I76 WeakPolarHBondContact O-CA 3.34Å; V70-Q77 HydrophobicContact CG2-CB 4.33Å; V70-Q77 PolarHBondContact N-O 3.43Å; V70-Q77 PolarHBondContact O-N 3.03Å; V70-T79 HydrophobicContact CG1-CG2 4Å
71	R	91.4	Very high	92.2	Very high	236 Å²	236	85.1 Å²	85.1	89%	0.891	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	131.9	175.3	-72.5	-173	175.7	-158.1	-0.6	110.1
72	Y	88.4	Confident	92.2	Very high	166 Å²	166	81.2 Å²	81.2	65%	0.651	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	104.2	174.3	-168.8	-97.6	0	0	0	109.8	V70 R74 G75 Q77	V70-Y72 PolarHBondContact O-N 3.32Å; Y72-R74 PolarHBondContact O-N 3.35Å; Y72-G75 PolarHBondContact N-O 3.43Å; Y72-G75 CarbonylContact O-C 3.59Å; Y72-G75 PolarHBondContact O-N 2.76Å; Y72-Q77 HydrophobicContact CG-CB 4.5Å
73	G	85.2	Confident	92	Very high	81 Å²	81	77.4 Å²	77.4	84%	0.835	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	-120.3	-173.9	0	0	0	0	0	112.4
74	R	79.3	Confident	91.8	Very high	262 Å²	262	80.6 Å²	80.6	99%	0.989	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.8	176.2	-66.3	-176.5	-178.4	173.5	0.9	113.7	Y72	Y72-R74 PolarHBondContact O-N 3.35Å
75	G	85.5	Confident	91.8	Very high	24 Å²	24	79.4 Å²	79.4	25%	0.247	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-158.5	-177.1	0	0	0	0	0	112.7	Y72	Y72-G75 PolarHBondContact N-O 3.43Å; Y72-G75 CarbonylContact O-C 3.59Å; Y72-G75 PolarHBondContact O-N 2.76Å
76	I	92.1	Very high	91.6	Very high	29 Å²	29	72.2 Å²	72.2	15%	0.149	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.7	174.2	55	166.1	0	0	0	109.1	V33 Q37 I39 F69 V70	V33-I76 HydrophobicContact CG1-CD1 3.3Å; Q37-I76 WeakPolarHBondContact O-CG1 3.4Å; Q37-I76 PolarHBondContact O-N 3.46Å; I39-I76 HydrophobicContact CD1-CD1 3.54Å; I39-I76 HydrophobicContact CG1-CD1 3.9Å; I39-I76 HydrophobicContact CG1-CG2 4.44Å; F69-I76 HydrophobicContact CB-CD1 4.37Å; F69-I76 HydrophobicContact CD1-CD1 4.18Å; F69-I76 HydrophobicContact CG-CD1 4.35Å; V70-I76 CarbonylContact O-C 3.57Å; V70-I76 VanDerWaalsContact O-CA 3.27Å; V70-I76 WeakPolarHBondContact O-CA 3.34Å
77	Q	92.6	Very high	90.9	Very high	77 Å²	77	70.5 Å²	70.5	36%	0.36	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	136	177.1	-173.7	176.6	2.1	0	0	109.2	F69 V70 Y72	F69-Q77 CarbonylContact C-O 3.6Å; F69-Q77 WeakPolarHBondContact CA-O 3.44Å; V70-Q77 HydrophobicContact CG2-CB 4.33Å; V70-Q77 PolarHBondContact N-O 3.43Å; V70-Q77 PolarHBondContact O-N 3.03Å; Y72-Q77 HydrophobicContact CG-CB 4.5Å
78	P	93.9	Very high	90.5	Very high	6 Å²	6	69.1 Å²	69.1	4%	0.039	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	145.5	173.8	-22.3	33.5	0	0	0	113	M34 L68 F69 A82 F83	M34-P78 HydrophobicContact CE-CB 3.89Å; M34-P78 HydrophobicContact CE-CG 3.79Å; M34-P78 HydrophobicContact SD-CB 3.51Å; M34-P78 VanDerWaalsContact SD-CB 3.51Å; M34-P78 HydrophobicContact SD-CG 3.54Å; M34-P78 VanDerWaalsContact SD-CG 3.54Å; L68-P78 CarbonylContact O-C 3.52Å; L68-P78 WeakPolarHBondContact O-CA 3.1Å; F69-P78 HydrophobicContact CD1-CB 4.36Å; F69-P78 HydrophobicContact CD1-CG 4.3Å; F69-P78 HydrophobicContact CE1-CB 4.37Å; F69-P78 HydrophobicContact CE1-CG 4.23Å; P78-A82 HydrophobicContact CB-CB 3.95Å; P78-F83 HydrophobicContact CB-CD1 4.38Å; P78-F83 HydrophobicContact CB-CD2 4.05Å; P78-F83 HydrophobicContact CB-CE1 4.1Å; P78-F83 HydrophobicContact CB-CE2 3.75Å; P78-F83 HydrophobicContact CB-CG 4.36Å; P78-F83 HydrophobicContact CB-CZ 3.78Å; P78-F83 HydrophobicContact CG-CE1 4.14Å; P78-F83 HydrophobicContact CG-CE2 4.35Å; P78-F83 HydrophobicContact CG-CZ 3.9Å; P78-F83 WeakPolarHBondContact O-CE2 3.2Å
79	T	95.2	Very high	90.2	Very high	26 Å²	26	69.7 Å²	69.7	16%	0.16	35%	0.353	C	S	.	.			trans	-77.1	165.2	168.2	67.1	0	0	0	0	110.5	D66 E67 L68 V70 R81 A82 F83	D66-T79 PolarHBondContact OD1-OG1 2.77Å; D66-T79 VanDerWaalsContact OD1-OG1 3.06Å; E67-T79 HydrophobicContact CB-CG2 4.25Å; L68-T79 WeakPolarHBondContact CA-OG1 3.38Å; L68-T79 PolarHBondContact O-N 3.11Å; L68-T79 PolarHBondContact O-OG1 2.85Å; V70-T79 HydrophobicContact CG1-CG2 4Å; T79-R81 PolarHBondContact O-N 3.37Å; T79-R81 PolarHBondContact OG1-N 3.33Å; T79-A82 PolarHBondContact O-N 3.27Å; T79-A82 VanDerWaalsContact O-N 3.1Å; T79-A82 PolarHBondContact OG1-N 2.74Å; T79-F83 VanDerWaalsContact O-CD2 3.23Å; T79-F83 WeakPolarHBondContact O-CD2 3.39Å; T79-F83 PolarHBondContact O-N 2.89Å
80	A	92.1	Very high	89.6	Confident	74 Å²	74	69.8 Å²	69.8	61%	0.612	35%	0.353	S	S	*	.	H	α-helix	trans	-54.4	-35.1	171.7	0	0	0	0	0	112.2	F83 Q84	A80-F83 PolarHBondContact O-N 2.93Å; A80-Q84 WeakPolarHBondContact O-CG 3.45Å; A80-Q84 PolarHBondContact O-N 3.4Å
81	R	94.6	Very high	89	Confident	106 Å²	106	69.9 Å²	69.9	40%	0.4	35%	0.349	S	S	.	.	H	α-helix	trans	-68.4	-43	176.6	-178.7	57.4	173	179.6	0	112.2	D66 L68 T79 F83 Q84 L85	D66-R81 HydrophobicContact CB-CB 4.48Å; D66-R81 HydrophobicContact CB-CG 3.99Å; D66-R81 WeakPolarHBondContact OD1-CB 3.2Å; D66-R81 WeakPolarHBondContact OD2-CB 3.24Å; L68-R81 HydrophobicContact CD2-CG 4.11Å; T79-R81 PolarHBondContact O-N 3.37Å; T79-R81 PolarHBondContact OG1-N 3.33Å; R81-F83 VanDerWaalsContact C-N 3.31Å; R81-F83 PolarHBondContact O-N 2.8Å; R81-Q84 WeakPolarHBondContact O-CB 3.37Å; R81-Q84 PolarHBondContact O-N 3.23Å; R81-Q84 VanDerWaalsContact O-N 3.14Å; R81-L85 HydrophobicContact CG-CD1 4.12Å; R81-L85 WeakPolarHBondContact O-CG 3.3Å; R81-L85 PolarHBondContact O-N 3.08Å
82	A	94.7	Very high	88.9	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-42.1	173.8	0	0	0	0	0	111.6	F30 M34 L68 P78 T79 Q84 L85 F86	F30-A82 HydrophobicContact CE2-CB 3.91Å; F30-A82 HydrophobicContact CZ-CB 4.23Å; M34-A82 HydrophobicContact SD-CB 3.77Å; L68-A82 HydrophobicContact CB-CB 4.13Å; L68-A82 HydrophobicContact CD2-CB 4.04Å; L68-A82 WeakPolarHBondContact O-CB 3.44Å; P78-A82 HydrophobicContact CB-CB 3.95Å; T79-A82 PolarHBondContact O-N 3.27Å; T79-A82 VanDerWaalsContact O-N 3.1Å; T79-A82 PolarHBondContact OG1-N 2.74Å; A82-Q84 VanDerWaalsContact C-N 3.3Å; A82-Q84 PolarHBondContact O-N 3.15Å; A82-L85 PolarHBondContact O-N 2.92Å; A82-L85 VanDerWaalsContact O-N 3.14Å; A82-F86 PolarHBondContact O-N 3.21Å
83	F	89.1	Confident	88.8	Confident	41 Å²	41	54.1 Å²	54.1	18%	0.18	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-35.2	173	-77.8	-57.4	0	0	0	113.4	M34 P78 T79 A80 R81 H155 Y159	M34-F83 HydrophobicContact CE-CD1 3.82Å; M34-F83 HydrophobicContact CE-CE1 4.03Å; P78-F83 HydrophobicContact CB-CD1 4.38Å; P78-F83 HydrophobicContact CB-CD2 4.05Å; P78-F83 HydrophobicContact CB-CE1 4.1Å; P78-F83 HydrophobicContact CB-CE2 3.75Å; P78-F83 HydrophobicContact CB-CG 4.36Å; P78-F83 HydrophobicContact CB-CZ 3.78Å; P78-F83 HydrophobicContact CG-CE1 4.14Å; P78-F83 HydrophobicContact CG-CE2 4.35Å; P78-F83 HydrophobicContact CG-CZ 3.9Å; P78-F83 WeakPolarHBondContact O-CE2 3.2Å; T79-F83 VanDerWaalsContact O-CD2 3.23Å; T79-F83 WeakPolarHBondContact O-CD2 3.39Å; T79-F83 PolarHBondContact O-N 2.89Å; A80-F83 PolarHBondContact O-N 2.93Å; R81-F83 VanDerWaalsContact C-N 3.31Å; R81-F83 PolarHBondContact O-N 2.8Å; F83-H155 AromaticContact CD1-NE2 3.65Å; F83-H155 AromaticContact CE1-CE1 3.68Å; F83-H155 AromaticContact CE1-NE2 3.37Å; F83-H155 WeakPolarHBondContact CE1-NE2 3.26Å; F83-H155 AromaticContact CZ-NE2 3.92Å; F83-Y159 HydrophobicContact CB-CE1 4.2Å; F83-Y159 WeakPolarHBondContact CB-OH 3.43Å; F83-Y159 HydrophobicContact CD1-CD1 4.02Å; F83-Y159 AromaticContact CD1-CE1 3.53Å; F83-Y159 HydrophobicContact CD1-CE1 3.53Å; F83-Y159 HydrophobicContact CD1-CE2 4.07Å; F83-Y159 AromaticContact CD1-CZ 3.55Å; F83-Y159 HydrophobicContact CE1-CE1 4.42Å; F83-Y159 HydrophobicContact CG-CE1 4.35Å; F83-Y159 VanDerWaalsContact O-CE1 3.26Å; F83-Y159 WeakPolarHBondContact O-CE1 3.43Å; F83-Y159 PolarHBondContact O-OH 3.25Å
84	Q	89	Confident	88.7	Confident	133 Å²	133	50.8 Å²	50.8	62%	0.621	26%	0.263	S	S	*	.	H	α-helix	trans	-69.3	-35.4	174.4	-73.1	170.5	-7.7	0	0	112.8	A80 R81 A82	A80-Q84 WeakPolarHBondContact O-CG 3.45Å; A80-Q84 PolarHBondContact O-N 3.4Å; R81-Q84 WeakPolarHBondContact O-CB 3.37Å; R81-Q84 PolarHBondContact O-N 3.23Å; R81-Q84 VanDerWaalsContact O-N 3.14Å; A82-Q84 VanDerWaalsContact C-N 3.3Å; A82-Q84 PolarHBondContact O-N 3.15Å
85	L	91.4	Very high	88.8	Confident	21 Å²	21	42.1 Å²	42.1	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-81.4	-28.7	-176.1	-68.7	170.3	0	0	0	113.2	F30 F64 L68 R81 A82 G87 S88 V89	F30-L85 HydrophobicContact CE1-CB 4.31Å; F30-L85 HydrophobicContact CZ-CB 3.96Å; F64-L85 HydrophobicContact CD1-CD1 3.57Å; F64-L85 HydrophobicContact CD1-CD2 4.49Å; F64-L85 HydrophobicContact CE1-CD1 3.68Å; F64-L85 HydrophobicContact CE1-CD2 4.1Å; F64-L85 HydrophobicContact CE1-CG 4.49Å; F64-L85 HydrophobicContact CG-CD1 4.12Å; F64-L85 HydrophobicContact CZ-CD1 4.3Å; L68-L85 HydrophobicContact CD2-CD1 3.77Å; R81-L85 HydrophobicContact CG-CD1 4.12Å; R81-L85 WeakPolarHBondContact O-CG 3.3Å; R81-L85 PolarHBondContact O-N 3.08Å; A82-L85 PolarHBondContact O-N 2.92Å; A82-L85 VanDerWaalsContact O-N 3.14Å; L85-G87 PolarHBondContact O-N 3.23Å; L85-S88 PolarHBondContact O-N 3.01Å; L85-S88 PolarHBondContact O-OG 3.32Å; L85-V89 HydrophobicContact CB-CG2 4.42Å; L85-V89 WeakPolarHBondContact O-CB 3.16Å; L85-V89 VanDerWaalsContact O-CG2 3.31Å; L85-V89 WeakPolarHBondContact O-CG2 3.45Å; L85-V89 PolarHBondContact O-N 2.85Å
86	F	89	Confident	88.8	Confident	3 Å²	3	45.3 Å²	45.3	1%	0.013	25%	0.251	C	S	.	.	H	α-helix	trans	-57	-50.1	-169.7	-175.3	-107.5	0	0	0	114.8	F30 D31 M34 Q35 A82 S88 V89 R90 Y159	F30-F86 HydrophobicContact CE1-CB 4.33Å; F30-F86 HydrophobicContact CE1-CD2 4.15Å; F30-F86 HydrophobicContact CZ-CB 4.49Å; D31-F86 WeakPolarHBondContact OD1-CE2 3.36Å; M34-F86 HydrophobicContact CB-CD2 3.36Å; M34-F86 HydrophobicContact CB-CE2 3.29Å; M34-F86 HydrophobicContact CB-CG 4.27Å; M34-F86 HydrophobicContact CB-CZ 4.14Å; M34-F86 HydrophobicContact CE-CB 3.84Å; M34-F86 HydrophobicContact CE-CD2 4.08Å; M34-F86 HydrophobicContact CE-CG 3.91Å; M34-F86 HydrophobicContact CG-CD2 3.5Å; M34-F86 VanDerWaalsContact CG-CD2 3.5Å; M34-F86 HydrophobicContact CG-CE2 3.98Å; M34-F86 HydrophobicContact CG-CG 4.27Å; Q35-F86 HydrophobicContact CG-CE2 4.45Å; Q35-F86 HydrophobicContact CG-CZ 3.98Å; A82-F86 PolarHBondContact O-N 3.21Å; F86-S88 VanDerWaalsContact C-N 3.32Å; F86-S88 PolarHBondContact O-N 3.48Å; F86-V89 PolarHBondContact O-N 3.07Å; F86-R90 VanDerWaalsContact O-CB 3.22Å; F86-R90 WeakPolarHBondContact O-CB 3.18Å; F86-R90 PolarHBondContact O-N 3.5Å; F86-Y159 HydrophobicContact CB-CD1 3.98Å; F86-Y159 HydrophobicContact CB-CE1 3.89Å; F86-Y159 AromaticContact CD1-CD1 3.23Å; F86-Y159 HydrophobicContact CD1-CD1 3.23Å; F86-Y159 AromaticContact CD1-CE1 3.96Å; F86-Y159 HydrophobicContact CD1-CE1 3.96Å; F86-Y159 HydrophobicContact CD1-CG 4.13Å; F86-Y159 AromaticContact CE1-CD1 3.9Å; F86-Y159 HydrophobicContact CE1-CD1 3.9Å; F86-Y159 HydrophobicContact CE1-CG 4.43Å; F86-Y159 WeakPolarHBondContact CE1-O 3.38Å; F86-Y159 AromaticContact CG-CD1 3.88Å; F86-Y159 HydrophobicContact CG-CD1 3.88Å; F86-Y159 HydrophobicContact CG-CE1 4.31Å
87	G	82	Confident	88.4	Confident	13 Å²	13	48.7 Å²	48.7	13%	0.134	27%	0.266	C	S	.	.	H	α-helix	trans	-58	-44.1	-177	0	0	0	0	0	112.6	L85 Q91	L85-G87 PolarHBondContact O-N 3.23Å; G87-Q91 WeakPolarHBondContact O-CB 3.2Å; G87-Q91 PolarHBondContact O-N 3.28Å
88	S	86.5	Confident	87.8	Confident	68 Å²	68	45.7 Å²	45.7	48%	0.476	25%	0.253	S	S	.	.	H	α-helix	trans	-75	-39.6	-179.3	56	0	0	0	0	112.9	L85 F86 Q91 A92	L85-S88 PolarHBondContact O-N 3.01Å; L85-S88 PolarHBondContact O-OG 3.32Å; F86-S88 VanDerWaalsContact C-N 3.32Å; F86-S88 PolarHBondContact O-N 3.48Å; S88-Q91 PolarHBondContact O-N 3.29Å; S88-A92 WeakPolarHBondContact O-CB 3.47Å; S88-A92 PolarHBondContact O-N 3Å
89	V	90.2	Very high	87.3	Confident	13 Å²	13	53.1 Å²	53.1	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-47.1	176	172.3	0	0	0	0	110.6	L27 F30 L85 F86 A92 L93	L27-V89 HydrophobicContact CB-CG1 3.88Å; L27-V89 HydrophobicContact CD1-CG1 4.44Å; L27-V89 HydrophobicContact CD2-CG1 4.08Å; L27-V89 HydrophobicContact CD2-CG2 4.36Å; L27-V89 HydrophobicContact CG-CG1 4.35Å; F30-V89 HydrophobicContact CD1-CB 4.18Å; F30-V89 HydrophobicContact CD1-CG1 3.83Å; F30-V89 HydrophobicContact CD1-CG2 4.37Å; F30-V89 HydrophobicContact CE1-CB 4.11Å; F30-V89 HydrophobicContact CE1-CG1 4.28Å; F30-V89 HydrophobicContact CE1-CG2 4.17Å; L85-V89 HydrophobicContact CB-CG2 4.42Å; L85-V89 WeakPolarHBondContact O-CB 3.16Å; L85-V89 VanDerWaalsContact O-CG2 3.31Å; L85-V89 WeakPolarHBondContact O-CG2 3.45Å; L85-V89 PolarHBondContact O-N 2.85Å; F86-V89 PolarHBondContact O-N 3.07Å; V89-A92 PolarHBondContact O-N 3.44Å; V89-L93 HydrophobicContact CG1-CD1 4.06Å; V89-L93 HydrophobicContact CG1-CG 4.43Å; V89-L93 WeakPolarHBondContact O-CG 3.28Å; V89-L93 PolarHBondContact O-N 3.09Å
90	R	85.4	Confident	86.8	Confident	21 Å²	21	56.3 Å²	56.3	8%	0.079	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-43.8	178.7	-172.1	174.8	-171.3	99.4	-11.4	111.8	D31 Q35 F86 A92 L93 Q94	D31-R90 VanDerWaalsContact CG-NH1 3.29Å; D31-R90 WeakPolarHBondContact OD1-CG 3.31Å; D31-R90 IonicContact OD1-CZ 3.18Å; D31-R90 IonicContact OD1-NH1 3.17Å; D31-R90 PolarHBondContact OD1-NH1 2.91Å; D31-R90 IonicContact OD2-NH1 3.25Å; D31-R90 PolarHBondContact OD2-NH1 3.34Å; D31-R90 VanDerWaalsContact OD2-NH1 3.14Å; Q35-R90 VanDerWaalsContact OE1-NH1 3.16Å; F86-R90 VanDerWaalsContact O-CB 3.22Å; F86-R90 WeakPolarHBondContact O-CB 3.18Å; F86-R90 PolarHBondContact O-N 3.5Å; R90-A92 VanDerWaalsContact C-N 3.3Å; R90-A92 PolarHBondContact O-N 2.64Å; R90-L93 PolarHBondContact O-N 3.31Å; R90-Q94 HydrophobicContact CG-CG 4.46Å; R90-Q94 WeakPolarHBondContact O-CB 3.49Å; R90-Q94 WeakPolarHBondContact O-CG 3.3Å; R90-Q94 PolarHBondContact O-N 3.38Å
91	Q	82.2	Confident	86	Confident	67 Å²	67	58.8 Å²	58.8	31%	0.313	31%	0.312	S	S	.	.	H	α-helix	trans	-57.2	-45.2	174.5	-171.1	178.5	33.8	0	0	111.6	G87 S88 Q94 L95 A294	G87-Q91 WeakPolarHBondContact O-CB 3.2Å; G87-Q91 PolarHBondContact O-N 3.28Å; S88-Q91 PolarHBondContact O-N 3.29Å; Q91-Q94 PolarHBondContact O-N 3.08Å; Q91-L95 HydrophobicContact CG-CD1 4.37Å; Q91-L95 VanDerWaalsContact O-CG 3.3Å; Q91-L95 WeakPolarHBondContact O-CG 3.47Å; Q91-L95 PolarHBondContact O-N 3.28Å; Q91-A294 HydrophobicContact CB-CB 3.9Å; Q91-A294 HydrophobicContact CG-CB 4.16Å
92	A	87.7	Confident	84.9	Confident	49 Å²	49	57.7 Å²	57.7	41%	0.405	33%	0.334	S	S	.	.	H	α-helix	trans	-63.2	-42.5	177.6	0	0	0	0	0	111.9	S88 V89 R90 L95 V96	S88-A92 WeakPolarHBondContact O-CB 3.47Å; S88-A92 PolarHBondContact O-N 3Å; V89-A92 PolarHBondContact O-N 3.44Å; R90-A92 VanDerWaalsContact C-N 3.3Å; R90-A92 PolarHBondContact O-N 2.64Å; A92-L95 PolarHBondContact O-N 3.39Å; A92-V96 WeakPolarHBondContact O-CG2 3.48Å; A92-V96 PolarHBondContact O-N 3.49Å
93	L	88	Confident	83.6	Confident	23 Å²	23	59.2 Å²	59.2	12%	0.12	34%	0.344	C	S	.	.	H	α-helix	trans	-63.3	-42.9	175.8	-70.8	174.1	0	0	0	112	L27 T28 D31 V89 R90 V96 Q97	L27-L93 HydrophobicContact CB-CD1 4.39Å; L27-L93 HydrophobicContact CB-CD2 4.19Å; L27-L93 WeakPolarHBondContact O-CD1 3.32Å; T28-L93 HydrophobicContact CG2-CD2 3.86Å; D31-L93 HydrophobicContact CB-CD1 3.67Å; V89-L93 HydrophobicContact CG1-CD1 4.06Å; V89-L93 HydrophobicContact CG1-CG 4.43Å; V89-L93 WeakPolarHBondContact O-CG 3.28Å; V89-L93 PolarHBondContact O-N 3.09Å; R90-L93 PolarHBondContact O-N 3.31Å; L93-V96 PolarHBondContact O-N 3.24Å; L93-Q97 WeakPolarHBondContact O-CB 3.38Å; L93-Q97 VanDerWaalsContact O-CG 3.25Å; L93-Q97 WeakPolarHBondContact O-CG 3.39Å; L93-Q97 PolarHBondContact O-N 2.82Å
94	Q	81.9	Confident	83	Confident	10 Å²	10	59.6 Å²	59.6	5%	0.047	36%	0.36	C	S	.	.	H	α-helix	trans	-62.6	-44.8	177	-75.5	174.6	-35	0	0	111.2	R90 Q91 V96 Q97 N98 A294 D298	R90-Q94 HydrophobicContact CG-CG 4.46Å; R90-Q94 WeakPolarHBondContact O-CB 3.49Å; R90-Q94 WeakPolarHBondContact O-CG 3.3Å; R90-Q94 PolarHBondContact O-N 3.38Å; Q91-Q94 PolarHBondContact O-N 3.08Å; Q94-V96 VanDerWaalsContact C-N 3.34Å; Q94-V96 PolarHBondContact O-N 2.8Å; Q94-Q97 PolarHBondContact O-N 3.3Å; Q94-N98 WeakPolarHBondContact O-CB 3.4Å; Q94-N98 PolarHBondContact O-N 2.86Å; Q94-N98 PolarHBondContact O-ND2 3Å; Q94-N98 VanDerWaalsContact O-ND2 3.08Å; Q94-A294 PolarHBondContact OE1-O 3.43Å; Q94-A294 VanDerWaalsContact OE1-O 3.05Å; Q94-D298 HydrophobicContact CG-CB 4.41Å
95	L	81.7	Confident	82.9	Confident	81 Å²	81	55 Å²	55	42%	0.424	34%	0.338	S	S	.	.	H	α-helix	trans	-58.6	-45.2	175	-73.1	171.9	0	0	0	111.8	Q91 A92 E99 R297	Q91-L95 HydrophobicContact CG-CD1 4.37Å; Q91-L95 VanDerWaalsContact O-CG 3.3Å; Q91-L95 WeakPolarHBondContact O-CG 3.47Å; Q91-L95 PolarHBondContact O-N 3.28Å; A92-L95 PolarHBondContact O-N 3.39Å; L95-E99 WeakPolarHBondContact O-CG 3.47Å; L95-R297 HydrophobicContact CD2-CB 4.02Å; L95-R297 HydrophobicContact CD2-CG 4.17Å
96	V	86.6	Confident	82.8	Confident	90 Å²	90	60 Å²	60	55%	0.545	36%	0.361	S	S	.	.	H	α-helix	trans	-63.8	-47.3	175.8	172.8	0	0	0	0	110.7	A92 L93 Q94 N98 E99 L100	A92-V96 WeakPolarHBondContact O-CG2 3.48Å; A92-V96 PolarHBondContact O-N 3.49Å; L93-V96 PolarHBondContact O-N 3.24Å; Q94-V96 VanDerWaalsContact C-N 3.34Å; Q94-V96 PolarHBondContact O-N 2.8Å; V96-N98 VanDerWaalsContact C-N 3.31Å; V96-N98 PolarHBondContact O-N 2.88Å; V96-E99 PolarHBondContact O-N 3.48Å; V96-E99 VanDerWaalsContact O-N 3.11Å; V96-L100 HydrophobicContact CG1-CD1 4.48Å; V96-L100 HydrophobicContact CG1-CG 4.46Å; V96-L100 WeakPolarHBondContact O-CG 3.32Å; V96-L100 PolarHBondContact O-N 2.86Å
97	Q	82.5	Confident	82.9	Confident	100 Å²	100	61.2 Å²	61.2	47%	0.467	37%	0.369	S	S	.	.	H	α-helix	trans	-56.2	-44.2	-179.9	-78.8	173.6	-8.8	0	0	111.7	L93 Q94 E99 L100 S103	L93-Q97 WeakPolarHBondContact O-CB 3.38Å; L93-Q97 VanDerWaalsContact O-CG 3.25Å; L93-Q97 WeakPolarHBondContact O-CG 3.39Å; L93-Q97 PolarHBondContact O-N 2.82Å; Q94-Q97 PolarHBondContact O-N 3.3Å; Q97-E99 PolarHBondContact O-N 3.34Å; Q97-L100 PolarHBondContact O-N 2.81Å; Q97-S103 WeakPolarHBondContact O-CB 3.44Å
98	N	79.8	Confident	83.3	Confident	15 Å²	15	63.7 Å²	63.7	8%	0.08	39%	0.388	C	S	.	.	H	α-helix	trans	-63.5	-19.4	179.4	-71.8	-35.2	0	0	0	115.2	Q94 V96 S103 R297 K299	Q94-N98 WeakPolarHBondContact O-CB 3.4Å; Q94-N98 PolarHBondContact O-N 2.86Å; Q94-N98 PolarHBondContact O-ND2 3Å; Q94-N98 VanDerWaalsContact O-ND2 3.08Å; V96-N98 VanDerWaalsContact C-N 3.31Å; V96-N98 PolarHBondContact O-N 2.88Å; N98-S103 VanDerWaalsContact C-OG 3.28Å; N98-S103 PolarHBondContact O-OG 2.96Å; N98-R297 PolarHBondContact ND2-O 2.82Å; N98-K299 WeakPolarHBondContact O-CE 3.46Å; N98-K299 PolarHBondContact O-NZ 2.49Å; N98-K299 PolarHBondContact OD1-N 3.02Å
99	E	83.8	Confident	83.5	Confident	161 Å²	161	64.5 Å²	64.5	75%	0.752	39%	0.393	S	S	*	.	H	α-helix	trans	-101	-11.8	-179.3	-62	-58.2	144.5	0	0	112.4	L95 V96 Q97	L95-E99 WeakPolarHBondContact O-CG 3.47Å; V96-E99 PolarHBondContact O-N 3.48Å; V96-E99 VanDerWaalsContact O-N 3.11Å; Q97-E99 PolarHBondContact O-N 3.34Å
100	L	84.1	Confident	83.5	Confident	93 Å²	93	64.8 Å²	64.8	49%	0.487	40%	0.396	S	S	.	.	S	Bend	trans	-69.2	148.4	177.3	-70	175.6	0	0	0	111	V96 Q97 G102 S103	V96-L100 HydrophobicContact CG1-CD1 4.48Å; V96-L100 HydrophobicContact CG1-CG 4.46Å; V96-L100 WeakPolarHBondContact O-CG 3.32Å; V96-L100 PolarHBondContact O-N 2.86Å; Q97-L100 PolarHBondContact O-N 2.81Å; L100-G102 PolarHBondContact O-N 2.94Å; L100-S103 WeakPolarHBondContact O-CB 3.39Å; L100-S103 PolarHBondContact O-N 3.48Å; L100-S103 VanDerWaalsContact O-N 3.11Å; L100-S103 PolarHBondContact O-OG 2.87Å
101	P	76.8	Confident	83.7	Confident	127 Å²	127	71.3 Å²	71.3	83%	0.825	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	135	172.8	-24.2	34	0	0	0	111.6	S103	P101-S103 VanDerWaalsContact C-N 3.28Å; P101-S103 PolarHBondContact O-N 2.88Å
102	G	70.9	Confident	84.1	Confident	82 Å²	82	71 Å²	71	85%	0.845	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	1.8	-177.5	0	0	0	0	0	114.8	L100 G104	L100-G102 PolarHBondContact O-N 2.94Å; G102-G104 PolarHBondContact O-N 3.41Å
103	S	68.1	Low	84.3	Confident	32 Å²	32	71.4 Å²	71.4	22%	0.224	42%	0.421	C	S	.	.			trans	-71.1	16.8	174.3	64.6	0	0	0	0	115.2	Q97 N98 L100 P101 K299	Q97-S103 WeakPolarHBondContact O-CB 3.44Å; N98-S103 VanDerWaalsContact C-OG 3.28Å; N98-S103 PolarHBondContact O-OG 2.96Å; L100-S103 WeakPolarHBondContact O-CB 3.39Å; L100-S103 PolarHBondContact O-N 3.48Å; L100-S103 VanDerWaalsContact O-N 3.11Å; L100-S103 PolarHBondContact O-OG 2.87Å; P101-S103 VanDerWaalsContact C-N 3.28Å; P101-S103 PolarHBondContact O-N 2.88Å; S103-K299 VanDerWaalsContact O-CD 3.23Å; S103-K299 WeakPolarHBondContact O-CD 3.44Å; S103-K299 PolarHBondContact O-NZ 3.24Å; S103-K299 PolarHBondContact OG-NZ 3.39Å
104	G	75.7	Confident	84.6	Confident	49 Å²	49	70.3 Å²	70.3	51%	0.505	42%	0.415	S	S	.	.			trans	-61.5	147.3	168.1	0	0	0	0	0	109.4	G102	G102-G104 PolarHBondContact O-N 3.41Å
105	F	86.2	Confident	85.3	Confident	37 Å²	37	72.8 Å²	72.8	16%	0.162	43%	0.427	C	S	.	.			trans	-97.8	108.2	165.4	-177.7	-98.7	0	0	0	107.6	P107 S110 F114 I141 K299 G300 W303	F105-P107 HydrophobicContact CD1-CG 4.02Å; F105-P107 HydrophobicContact CE1-CB 4.12Å; F105-P107 HydrophobicContact CE1-CG 3.82Å; F105-P107 WeakPolarHBondContact O-CD 3.26Å; F105-S110 WeakPolarHBondContact CE2-OG 3.45Å; F105-F114 HydrophobicContact CE2-CZ 4.39Å; F105-F114 HydrophobicContact CZ-CE2 4.32Å; F105-F114 HydrophobicContact CZ-CZ 4.17Å; F105-I141 HydrophobicContact CE1-CD1 4.27Å; F105-I141 HydrophobicContact CZ-CD1 3.63Å; F105-K299 HydrophobicContact CB-CB 3.97Å; F105-G300 VanDerWaalsContact CG-CA 3.43Å; F105-W303 HydrophobicContact CD1-CB 3.71Å; F105-W303 HydrophobicContact CD1-CD2 4.1Å; F105-W303 HydrophobicContact CD1-CE3 4.4Å; F105-W303 AromaticContact CD1-CG 3.78Å; F105-W303 HydrophobicContact CD1-CG 3.78Å; F105-W303 HydrophobicContact CE1-CB 3.85Å; F105-W303 AromaticContact CE1-CD2 3.4Å; F105-W303 HydrophobicContact CE1-CD2 3.4Å; F105-W303 AromaticContact CE1-CE3 3.37Å; F105-W303 HydrophobicContact CE1-CE3 3.37Å; F105-W303 AromaticContact CE1-CG 3.6Å; F105-W303 HydrophobicContact CE1-CG 3.6Å; F105-W303 HydrophobicContact CE1-CZ3 4.08Å; F105-W303 HydrophobicContact CZ-CD2 4.3Å; F105-W303 AromaticContact CZ-CE3 3.82Å; F105-W303 HydrophobicContact CZ-CE3 3.82Å; F105-W303 HydrophobicContact CZ-CZ3 4.25Å
106	E	90	Very high	86	Confident	127 Å²	127	69 Å²	69	59%	0.593	41%	0.407	S	S	*	.			trans	-102.7	102.7	176.7	-69.7	-59.9	145.8	0	0	108.7	A108 S109 S110	E106-A108 PolarHBondContact O-N 3.02Å; E106-S109 WeakPolarHBondContact CB-OG 3.49Å; E106-S109 PolarHBondContact O-N 3.41Å; E106-S109 PolarHBondContact O-OG 3.41Å; E106-S110 WeakPolarHBondContact O-CB 3.26Å; E106-S110 PolarHBondContact O-N 3.48Å
107	P	91.7	Very high	86.5	Confident	28 Å²	28	64.9 Å²	64.9	18%	0.182	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-36	-173.1	-22.8	31.6	0	0	0	113	F105 S109 S110 A138 W303	F105-P107 HydrophobicContact CD1-CG 4.02Å; F105-P107 HydrophobicContact CE1-CB 4.12Å; F105-P107 HydrophobicContact CE1-CG 3.82Å; F105-P107 WeakPolarHBondContact O-CD 3.26Å; P107-S109 VanDerWaalsContact C-N 3.3Å; P107-S109 PolarHBondContact O-N 3.17Å; P107-S110 PolarHBondContact O-N 3.25Å; P107-A138 HydrophobicContact CB-CB 3.84Å; P107-A138 WeakPolarHBondContact O-CB 3.37Å; P107-W303 HydrophobicContact CB-CH2 4.21Å; P107-W303 HydrophobicContact CB-CZ2 3.59Å; P107-W303 HydrophobicContact CG-CD2 4.13Å; P107-W303 HydrophobicContact CG-CG 4.27Å; P107-W303 HydrophobicContact CG-CZ2 3.89Å; P107-W303 VanDerWaalsContact CG-NE1 3.32Å
108	A	90.2	Very high	87.2	Confident	65 Å²	65	60.2 Å²	60.2	54%	0.537	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-28.2	-176.7	0	0	0	0	0	113.9	E106 N140	E106-A108 PolarHBondContact O-N 3.02Å; A108-N140 PolarHBondContact O-ND2 2.86Å
109	S	89.5	Confident	87.9	Confident	84 Å²	84	60 Å²	60	59%	0.587	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-2.2	-179.8	59.5	0	0	0	0	113.5	E106 P107	E106-S109 WeakPolarHBondContact CB-OG 3.49Å; E106-S109 PolarHBondContact O-N 3.41Å; E106-S109 PolarHBondContact O-OG 3.41Å; P107-S109 VanDerWaalsContact C-N 3.3Å; P107-S109 PolarHBondContact O-N 3.17Å
110	S	90.3	Very high	88.4	Confident	20 Å²	20	53.1 Å²	53.1	14%	0.14	33%	0.329	C	S	.	.			trans	-74.8	131.3	-179.9	-168.7	0	0	0	0	111.4	F105 E106 P107 R112 N140 I141	F105-S110 WeakPolarHBondContact CE2-OG 3.45Å; E106-S110 WeakPolarHBondContact O-CB 3.26Å; E106-S110 PolarHBondContact O-N 3.48Å; P107-S110 PolarHBondContact O-N 3.25Å; S110-R112 WeakPolarHBondContact OG-CB 3.24Å; S110-R112 PolarHBondContact OG-N 3.3Å; S110-N140 CarbonylContact O-C 3.59Å; S110-N140 WeakPolarHBondContact O-CB 3.16Å; S110-I141 WeakPolarHBondContact O-CG1 3.29Å; S110-I141 PolarHBondContact O-N 2.96Å
111	E	90	Very high	88.9	Confident	157 Å²	157	48.8 Å²	48.8	73%	0.734	31%	0.307	S	S	*	.			trans	-101.8	19.5	172.7	-63.1	-179.9	177.9	0	0	112.1	N140	E111-N140 WeakPolarHBondContact CA-O 3.21Å; E111-N140 HydrophobicContact CG-CB 4.39Å
112	R	90.1	Very high	89.8	Confident	60 Å²	60	42.7 Å²	42.7	23%	0.226	27%	0.267	C	S	.	.			trans	-67.3	145.3	-172.7	-174.9	167.5	178.2	176.4	-4.3	111.5	S110 F114 I141 H142 D298	S110-R112 WeakPolarHBondContact OG-CB 3.24Å; S110-R112 PolarHBondContact OG-N 3.3Å; R112-F114 HydrophobicContact CB-CD2 4.46Å; R112-F114 HydrophobicContact CB-CE2 3.95Å; R112-F114 HydrophobicContact CG-CD2 4.13Å; R112-F114 HydrophobicContact CG-CE2 3.79Å; R112-F114 HydrophobicContact CG-CZ 4.13Å; R112-I141 WeakPolarHBondContact O-CG2 3.46Å; R112-H142 PolarHBondContact O-N 2.92Å; R112-D298 IonicContact CZ-OD2 2.99Å; R112-D298 IonicContact NH1-OD1 2.89Å; R112-D298 PolarHBondContact NH1-OD1 3.18Å; R112-D298 IonicContact NH1-OD2 3.59Å; R112-D298 PolarHBondContact NH1-OD2 3.26Å; R112-D298 IonicContact NH2-OD2 3.6Å; R112-D298 PolarHBondContact NH2-OD2 2.83Å
113	V	92	Very high	91	Very high	59 Å²	59	40.4 Å²	40.4	36%	0.358	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126	168.4	-168.3	0	0	0	0	109.2	H142 M144	V113-H142 CarbonylContact C-O 3.56Å; V113-H142 VanDerWaalsContact CA-O 3.26Å; V113-H142 WeakPolarHBondContact CA-O 3.29Å; V113-H142 HydrophobicContact CB-CB 4.47Å; V113-H142 HydrophobicContact CG1-CB 4.25Å; V113-H142 HydrophobicContact CG2-CB 4.15Å; V113-M144 HydrophobicContact CG1-CB 4.48Å; V113-M144 HydrophobicContact CG1-CG 3.61Å
114	F	95.4	Very high	92.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.4	170.8	-68.5	-93.9	0	0	0	109.8	F105 R112 L116 I141 H142 V143 M144 G300 M304	F105-F114 HydrophobicContact CE2-CZ 4.39Å; F105-F114 HydrophobicContact CZ-CE2 4.32Å; F105-F114 HydrophobicContact CZ-CZ 4.17Å; R112-F114 HydrophobicContact CB-CD2 4.46Å; R112-F114 HydrophobicContact CB-CE2 3.95Å; R112-F114 HydrophobicContact CG-CD2 4.13Å; R112-F114 HydrophobicContact CG-CE2 3.79Å; R112-F114 HydrophobicContact CG-CZ 4.13Å; F114-L116 HydrophobicContact CB-CD2 4.42Å; F114-I141 HydrophobicContact CD2-CG2 3.63Å; F114-I141 HydrophobicContact CE2-CD1 4.22Å; F114-I141 HydrophobicContact CE2-CG2 3.86Å; F114-H142 PolarHBondContact N-O 3.07Å; F114-V143 CarbonylContact O-C 3.51Å; F114-V143 WeakPolarHBondContact O-CA 3.47Å; F114-M144 PolarHBondContact O-N 2.81Å; F114-G300 WeakPolarHBondContact CE1-O 3.32Å; F114-G300 WeakPolarHBondContact CZ-O 3.44Å; F114-M304 HydrophobicContact CB-CE 3.9Å; F114-M304 HydrophobicContact CD1-CB 3.99Å; F114-M304 HydrophobicContact CD1-CE 4.03Å; F114-M304 HydrophobicContact CD1-CG 3.9Å; F114-M304 HydrophobicContact CD2-CE 3.39Å; F114-M304 HydrophobicContact CE1-CB 3.65Å; F114-M304 HydrophobicContact CE1-CE 4.38Å; F114-M304 HydrophobicContact CE1-CG 4.1Å; F114-M304 HydrophobicContact CE2-CE 3.8Å; F114-M304 HydrophobicContact CG-CE 3.51Å; F114-M304 HydrophobicContact CG-CG 4.3Å; F114-M304 HydrophobicContact CZ-CB 4.05Å; F114-M304 HydrophobicContact CZ-CE 4.26Å
115	H	95.5	Very high	93.1	Very high	62 Å²	62	40.6 Å²	40.6	29%	0.287	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.1	174.8	-55.9	82.1	0	0	0	110	M144 E161 E163	H115-M144 CarbonylContact C-O 3.49Å; H115-M144 WeakPolarHBondContact CA-O 3.49Å; H115-E161 WeakPolarHBondContact CB-O 3.4Å; H115-E163 WeakPolarHBondContact CA-OE2 3.44Å; H115-E163 WeakPolarHBondContact CB-OE2 3.47Å; H115-E163 IonicContact CG-OE2 3.5Å; H115-E163 PolarHBondContact N-OE2 3.34Å; H115-E163 IonicContact ND1-OE1 2.73Å; H115-E163 IonicContact ND1-OE2 3.55Å; H115-E163 PolarHBondContact O-N 2.86Å
116	L	97.4	Very high	93.6	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.8	179.4	-49.6	-175.9	0	0	0	109.7	F114 I130 V143 M144 F145 K146 F164 L308	F114-L116 HydrophobicContact CB-CD2 4.42Å; L116-I130 HydrophobicContact CD1-CG2 4.04Å; L116-V143 HydrophobicContact CD1-CG1 3.4Å; L116-V143 HydrophobicContact CG-CG1 3.71Å; L116-M144 PolarHBondContact N-O 3.37Å; L116-F145 HydrophobicContact CB-CD1 4.11Å; L116-F145 HydrophobicContact CB-CE1 4.27Å; L116-F145 HydrophobicContact CD1-CD1 4.45Å; L116-F145 HydrophobicContact CD1-CE1 3.78Å; L116-F145 HydrophobicContact CD1-CZ 4.19Å; L116-F145 CarbonylContact O-C 3.52Å; L116-F145 WeakPolarHBondContact O-CA 3.32Å; L116-K146 PolarHBondContact O-N 3.28Å; L116-F164 HydrophobicContact CD2-CB 3.77Å; L116-F164 HydrophobicContact CD2-CD2 3.52Å; L116-F164 HydrophobicContact CD2-CG 4.07Å; L116-L308 HydrophobicContact CD1-CD1 4.36Å; L116-L308 HydrophobicContact CD1-CD2 3.91Å; L116-L308 HydrophobicContact CD2-CD1 4.11Å
117	C	97.3	Very high	93.9	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.02	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	105.3	167.1	-176.6	0	0	0	0	109.7	K146 L149 T162 F164 V165 I166	C117-K146 CarbonylContact C-O 3.56Å; C117-K146 VanDerWaalsContact CA-O 3.29Å; C117-K146 WeakPolarHBondContact CA-O 3.34Å; C117-K146 HydrophobicContact CB-CB 4.43Å; C117-L149 HydrophobicContact CB-CD2 4.46Å; C117-L149 VanDerWaalsContact SG-CD2 3.56Å; C117-T162 HydrophobicContact CB-CG2 3.98Å; C117-F164 PolarHBondContact N-O 3.04Å; C117-V165 HydrophobicContact CB-CG2 4.04Å; C117-V165 CarbonylContact O-C 3.47Å; C117-V165 WeakPolarHBondContact O-CA 3.12Å; C117-I166 PolarHBondContact O-N 2.97Å
118	V	97	Very high	94.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	109.4	175.4	-173.5	0	0	0	0	107.9	S120 L122 D123 L126 I130 F145 K146 S147 I166	V118-S120 PolarHBondContact O-N 3.02Å; V118-L122 HydrophobicContact CG1-CB 4.07Å; V118-D123 HydrophobicContact CB-CB 4.43Å; V118-D123 HydrophobicContact CG1-CB 4.29Å; V118-D123 WeakPolarHBondContact O-CB 3.01Å; V118-L126 HydrophobicContact CG1-CB 4.1Å; V118-L126 HydrophobicContact CG1-CD1 4.48Å; V118-I130 HydrophobicContact CG2-CD1 4.2Å; V118-F145 HydrophobicContact CG2-CD1 3.9Å; V118-F145 HydrophobicContact CG2-CE1 4.15Å; V118-K146 PolarHBondContact N-O 2.87Å; V118-S147 VanDerWaalsContact O-CA 3.26Å; V118-S147 WeakPolarHBondContact O-CA 3.46Å; V118-I166 HydrophobicContact CG1-CB 4.3Å; V118-I166 HydrophobicContact CG1-CG2 4.48Å; V118-I166 HydrophobicContact CG2-CB 4.42Å; V118-I166 HydrophobicContact CG2-CD1 4.25Å
119	C	95	Very high	94.5	Very high	10 Å²	10	36.7 Å²	36.7	7%	0.068	21%	0.205	C	C	.	.			trans	-80.7	126.9	-165.7	-58.3	0	0	0	0	112	L122 S147 L149 I166 S167	C119-L122 VanDerWaalsContact O-CB 3.24Å; C119-L122 WeakPolarHBondContact O-CB 3.28Å; C119-L122 PolarHBondContact O-N 3.23Å; C119-S147 WeakPolarHBondContact CA-O 3.24Å; C119-L149 WeakPolarHBondContact SG-CD2 3.19Å; C119-L149 WeakPolarHBondContact SG-CG 3.48Å; C119-I166 WeakPolarHBondContact CB-O 2.87Å; C119-I166 PolarHBondContact N-O 2.97Å; C119-I166 PolarHBondContact SG-O 2.98Å; C119-S167 WeakPolarHBondContact SG-CB 3.48Å
120	S	93.5	Very high	94.9	Very high	17 Å²	17	32.7 Å²	32.7	12%	0.119	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	133	174.4	-171.1	0	0	0	0	112.2	V118 D123 S147 R218	V118-S120 PolarHBondContact O-N 3.02Å; S120-D123 WeakPolarHBondContact CA-OD1 3.47Å; S120-D123 WeakPolarHBondContact CB-OD1 3.22Å; S120-D123 WeakPolarHBondContact CB-OD2 3.28Å; S120-D123 PolarHBondContact OG-OD1 3.29Å; S120-S147 PolarHBondContact N-O 3.02Å; S120-R218 PolarHBondContact O-NH1 2.97Å
121	P	95	Very high	95.2	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.013	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.1	-4.8	13.9	33.3	-36.7	0	0	0	116.8	D123 S124 Y168 F222 M243 P260 W262 L263	P121-D123 PolarHBondContact O-N 2.79Å; P121-D123 VanDerWaalsContact O-N 3.15Å; P121-S124 WeakPolarHBondContact O-CB 3.25Å; P121-S124 PolarHBondContact O-N 3.07Å; P121-S124 VanDerWaalsContact O-N 3.08Å; P121-S124 PolarHBondContact O-OG 2.85Å; P121-Y168 HydrophobicContact CG-CE2 4.31Å; P121-F222 HydrophobicContact CG-CD2 4.21Å; P121-F222 HydrophobicContact CG-CE2 4.32Å; P121-M243 HydrophobicContact CB-CB 4.06Å; P121-P260 HydrophobicContact CG-CG 3.85Å; P121-W262 HydrophobicContact CB-CH2 4.32Å; P121-W262 HydrophobicContact CB-CZ2 4.33Å; P121-W262 HydrophobicContact CG-CZ2 4.48Å; P121-W262 VanDerWaalsContact O-CH2 3.32Å; P121-W262 WeakPolarHBondContact O-CH2 3.3Å; P121-L263 HydrophobicContact CB-CD2 3.97Å
122	L	95.8	Very high	95.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.2	-174.8	-62.6	158.4	0	0	0	112.9	V118 C119 S124 I125 L126 I166 Y168 F182 C287	V118-L122 HydrophobicContact CG1-CB 4.07Å; C119-L122 VanDerWaalsContact O-CB 3.24Å; C119-L122 WeakPolarHBondContact O-CB 3.28Å; C119-L122 PolarHBondContact O-N 3.23Å; L122-S124 PolarHBondContact O-N 2.79Å; L122-I125 WeakPolarHBondContact O-CG2 3.4Å; L122-I125 PolarHBondContact O-N 2.82Å; L122-L126 HydrophobicContact CB-CD1 4.17Å; L122-L126 HydrophobicContact CD2-CD1 4.35Å; L122-L126 WeakPolarHBondContact O-CB 3.46Å; L122-L126 PolarHBondContact O-N 2.92Å; L122-I166 HydrophobicContact CD1-CG2 4.33Å; L122-Y168 HydrophobicContact CD1-CD2 4Å; L122-Y168 HydrophobicContact CD1-CE1 4.49Å; L122-Y168 HydrophobicContact CD1-CE2 3.88Å; L122-Y168 HydrophobicContact CD1-CG 4.38Å; L122-Y168 HydrophobicContact CD2-CE1 4.16Å; L122-Y168 HydrophobicContact CD2-CE2 4.12Å; L122-Y168 HydrophobicContact CG-CD2 4.41Å; L122-Y168 HydrophobicContact CG-CE2 3.8Å; L122-F182 HydrophobicContact CD2-CE2 4.14Å; L122-F182 HydrophobicContact CD2-CZ 3.73Å; L122-C287 VanDerWaalsContact CD1-SG 3.57Å; L122-C287 HydrophobicContact CD2-CB 4.35Å
123	D	95.5	Very high	95.9	Very high	34 Å²	34	34.1 Å²	34.1	18%	0.182	18%	0.183	C	C	.	.	H	α-helix	trans	-56.6	-32.3	175.5	58.9	-12.1	0	0	0	113.2	V118 S120 P121 I125 T127 S147	V118-D123 HydrophobicContact CB-CB 4.43Å; V118-D123 HydrophobicContact CG1-CB 4.29Å; V118-D123 WeakPolarHBondContact O-CB 3.01Å; S120-D123 WeakPolarHBondContact CA-OD1 3.47Å; S120-D123 WeakPolarHBondContact CB-OD1 3.22Å; S120-D123 WeakPolarHBondContact CB-OD2 3.28Å; S120-D123 PolarHBondContact OG-OD1 3.29Å; P121-D123 PolarHBondContact O-N 2.79Å; P121-D123 VanDerWaalsContact O-N 3.15Å; D123-I125 PolarHBondContact O-N 2.81Å; D123-T127 VanDerWaalsContact CA-OG1 3.31Å; D123-T127 WeakPolarHBondContact CA-OG1 3.09Å; D123-T127 WeakPolarHBondContact O-CB 3.37Å; D123-T127 PolarHBondContact O-N 2.77Å; D123-T127 PolarHBondContact O-OG1 2.87Å; D123-S147 WeakPolarHBondContact OD2-CB 3.26Å
124	S	93.6	Very high	96.1	Very high	55 Å²	55	31.4 Å²	31.4	39%	0.385	17%	0.166	S	C	.	.	H	α-helix	trans	-70	-22.2	-175.8	-56.5	0	0	0	0	112.4	P121 L122	P121-S124 WeakPolarHBondContact O-CB 3.25Å; P121-S124 PolarHBondContact O-N 3.07Å; P121-S124 VanDerWaalsContact O-N 3.08Å; P121-S124 PolarHBondContact O-OG 2.85Å; L122-S124 PolarHBondContact O-N 2.79Å
125	I	94	Very high	96.1	Very high	29 Å²	29	36.4 Å²	36.4	15%	0.149	19%	0.19	C	C	.	.	H	α-helix	trans	-115.7	-36.5	-178.3	-166.3	168.8	0	0	0	113.6	L122 D123 Q129 W262 R314	L122-I125 WeakPolarHBondContact O-CG2 3.4Å; L122-I125 PolarHBondContact O-N 2.82Å; D123-I125 PolarHBondContact O-N 2.81Å; I125-Q129 VanDerWaalsContact O-CD 3.24Å; I125-Q129 VanDerWaalsContact O-CG 3.3Å; I125-Q129 WeakPolarHBondContact O-CG 3.39Å; I125-W262 HydrophobicContact CB-CE3 4.14Å; I125-W262 HydrophobicContact CB-CH2 3.99Å; I125-W262 HydrophobicContact CB-CZ3 3.72Å; I125-W262 HydrophobicContact CD1-CD2 4.05Å; I125-W262 HydrophobicContact CD1-CE3 3.72Å; I125-W262 HydrophobicContact CD1-CG 4.49Å; I125-W262 HydrophobicContact CD1-CZ3 4.2Å; I125-W262 HydrophobicContact CG2-CD2 4.49Å; I125-W262 HydrophobicContact CG2-CE3 4.3Å; I125-W262 HydrophobicContact CG2-CH2 3.71Å; I125-W262 HydrophobicContact CG2-CZ2 3.88Å; I125-W262 HydrophobicContact CG2-CZ3 3.92Å; I125-R314 VanDerWaalsContact CD1-NH1 3.34Å
126	L	96.8	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-89.7	-30.9	-173.7	-59.8	-178.8	0	0	0	113.2	V118 L122 S128 Q129 I130 I166 F182 C312	V118-L126 HydrophobicContact CG1-CB 4.1Å; V118-L126 HydrophobicContact CG1-CD1 4.48Å; L122-L126 HydrophobicContact CB-CD1 4.17Å; L122-L126 HydrophobicContact CD2-CD1 4.35Å; L122-L126 WeakPolarHBondContact O-CB 3.46Å; L122-L126 PolarHBondContact O-N 2.92Å; L126-S128 PolarHBondContact O-N 3.39Å; L126-Q129 PolarHBondContact O-N 2.93Å; L126-I130 HydrophobicContact CB-CD1 4.15Å; L126-I130 WeakPolarHBondContact O-CD1 3.46Å; L126-I130 VanDerWaalsContact O-CG1 3.22Å; L126-I130 WeakPolarHBondContact O-CG1 3.3Å; L126-I130 PolarHBondContact O-N 2.84Å; L126-I166 HydrophobicContact CD1-CG2 3.71Å; L126-F182 HydrophobicContact CD1-CE1 4.2Å; L126-F182 HydrophobicContact CD1-CZ 4.23Å; L126-F182 HydrophobicContact CD2-CE1 4.45Å; L126-C312 HydrophobicContact CD1-CB 4.47Å; L126-C312 HydrophobicContact CD2-CB 4.33Å
127	T	97.2	Very high	96.1	Very high	36 Å²	36	44 Å²	44	22%	0.221	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-47.1	-172.5	-55.1	0	0	0	0	112	D123 I130 Y131 F145	D123-T127 VanDerWaalsContact CA-OG1 3.31Å; D123-T127 WeakPolarHBondContact CA-OG1 3.09Å; D123-T127 WeakPolarHBondContact O-CB 3.37Å; D123-T127 PolarHBondContact O-N 2.77Å; D123-T127 PolarHBondContact O-OG1 2.87Å; T127-I130 PolarHBondContact O-N 3.2Å; T127-Y131 VanDerWaalsContact O-CB 3.28Å; T127-Y131 WeakPolarHBondContact O-CB 3.44Å; T127-Y131 PolarHBondContact O-N 2.8Å; T127-F145 HydrophobicContact CG2-CB 4.32Å; T127-F145 HydrophobicContact CG2-CD1 3.78Å; T127-F145 HydrophobicContact CG2-CD2 4.09Å; T127-F145 HydrophobicContact CG2-CE1 4.01Å; T127-F145 HydrophobicContact CG2-CE2 4.32Å; T127-F145 HydrophobicContact CG2-CG 3.8Å; T127-F145 HydrophobicContact CG2-CZ 4.27Å
128	S	96.3	Very high	96	Very high	64 Å²	64	43.9 Å²	43.9	45%	0.448	23%	0.226	S	C	.	.	H	α-helix	trans	-67.5	-37.2	179.3	55.7	0	0	0	0	111.9	L126 N132	L126-S128 PolarHBondContact O-N 3.39Å; S128-N132 VanDerWaalsContact O-CB 3.32Å; S128-N132 WeakPolarHBondContact O-CB 3.34Å; S128-N132 PolarHBondContact O-N 3.3Å; S128-N132 PolarHBondContact O-ND2 3.05Å
129	Q	97.1	Very high	95.9	Very high	75 Å²	75	47.8 Å²	47.8	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-47.1	175.2	-65.8	179.3	-10.8	0	0	111	I125 L126 H133 I311	I125-Q129 VanDerWaalsContact O-CD 3.24Å; I125-Q129 VanDerWaalsContact O-CG 3.3Å; I125-Q129 WeakPolarHBondContact O-CG 3.39Å; L126-Q129 PolarHBondContact O-N 2.93Å; Q129-H133 VanDerWaalsContact O-CB 3.25Å; Q129-H133 WeakPolarHBondContact O-CB 3.49Å; Q129-H133 PolarHBondContact O-N 3.42Å; Q129-I311 HydrophobicContact CB-CG2 3.93Å
130	I	98	Very high	95.9	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-50.2	178.2	-63.2	161.8	0	0	0	110.4	L116 V118 L126 T127 N132 H133 I134 F145 I166 L308 I311	L116-I130 HydrophobicContact CD1-CG2 4.04Å; V118-I130 HydrophobicContact CG2-CD1 4.2Å; L126-I130 HydrophobicContact CB-CD1 4.15Å; L126-I130 WeakPolarHBondContact O-CD1 3.46Å; L126-I130 VanDerWaalsContact O-CG1 3.22Å; L126-I130 WeakPolarHBondContact O-CG1 3.3Å; L126-I130 PolarHBondContact O-N 2.84Å; T127-I130 PolarHBondContact O-N 3.2Å; I130-N132 PolarHBondContact O-N 2.99Å; I130-H133 PolarHBondContact O-N 2.86Å; I130-I134 HydrophobicContact CG2-CG1 4.24Å; I130-I134 VanDerWaalsContact O-CG1 3.28Å; I130-I134 WeakPolarHBondContact O-CG1 3.31Å; I130-I134 PolarHBondContact O-N 2.94Å; I130-F145 HydrophobicContact CB-CE1 4.21Å; I130-F145 HydrophobicContact CB-CZ 4.11Å; I130-F145 HydrophobicContact CD1-CE1 4.4Å; I130-F145 HydrophobicContact CG2-CE1 4.01Å; I130-F145 HydrophobicContact CG2-CZ 3.78Å; I130-I166 HydrophobicContact CD1-CD1 3.79Å; I130-L308 HydrophobicContact CB-CD2 4.47Å; I130-L308 HydrophobicContact CD1-CD2 3.78Å; I130-L308 HydrophobicContact CG1-CD2 3.91Å; I130-L308 HydrophobicContact CG2-CD2 3.66Å; I130-I311 HydrophobicContact CG1-CG2 4.05Å
131	Y	97.6	Very high	96	Very high	117 Å²	117	50.7 Å²	50.7	46%	0.459	27%	0.265	S	S	.	.	H	α-helix	trans	-57.1	-53.9	-177.5	-176.8	-89.1	0	0	0	111.7	T127 H133 I134 E135 F145	T127-Y131 VanDerWaalsContact O-CB 3.28Å; T127-Y131 WeakPolarHBondContact O-CB 3.44Å; T127-Y131 PolarHBondContact O-N 2.8Å; Y131-H133 VanDerWaalsContact C-N 3.35Å; Y131-H133 PolarHBondContact O-N 3.17Å; Y131-I134 PolarHBondContact O-N 3.4Å; Y131-E135 WeakPolarHBondContact CE1-OE2 3.48Å; Y131-E135 WeakPolarHBondContact O-CB 3.39Å; Y131-E135 PolarHBondContact O-N 3.47Å; Y131-F145 HydrophobicContact CD2-CE2 4.07Å
132	N	97.2	Very high	96	Very high	93 Å²	93	56 Å²	56	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-38.6	-176.5	-66.4	-17.8	0	0	0	112.1	S128 I130 Q136	S128-N132 VanDerWaalsContact O-CB 3.32Å; S128-N132 WeakPolarHBondContact O-CB 3.34Å; S128-N132 PolarHBondContact O-N 3.3Å; S128-N132 PolarHBondContact O-ND2 3.05Å; I130-N132 PolarHBondContact O-N 2.99Å; N132-Q136 WeakPolarHBondContact O-CB 3.41Å; N132-Q136 PolarHBondContact O-N 2.9Å
133	H	97	Very high	96.1	Very high	57 Å²	57	56.8 Å²	56.8	26%	0.264	29%	0.294	S	S	.	.	H	α-helix	trans	-66.6	-46	178.9	-179.2	91.6	0	0	0	111.7	Q129 I130 Y131 Q136 I137 Q307 I311	Q129-H133 VanDerWaalsContact O-CB 3.25Å; Q129-H133 WeakPolarHBondContact O-CB 3.49Å; Q129-H133 PolarHBondContact O-N 3.42Å; I130-H133 PolarHBondContact O-N 2.86Å; Y131-H133 VanDerWaalsContact C-N 3.35Å; Y131-H133 PolarHBondContact O-N 3.17Å; H133-Q136 PolarHBondContact O-N 2.98Å; H133-I137 PolarHBondContact O-N 3.49Å; H133-Q307 PolarHBondContact NE2-OE1 3.4Å; H133-I311 HydrophobicContact CB-CD1 3.85Å; H133-I311 HydrophobicContact CB-CG1 4.15Å; H133-I311 WeakPolarHBondContact CD2-CD1 3.27Å
134	I	97	Very high	96.1	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-66.1	-43.4	179.3	-62.9	-63.9	0	0	0	111	I130 Y131 Q136 I137 A138 I141 V143 W303 M304 Q307	I130-I134 HydrophobicContact CG2-CG1 4.24Å; I130-I134 VanDerWaalsContact O-CG1 3.28Å; I130-I134 WeakPolarHBondContact O-CG1 3.31Å; I130-I134 PolarHBondContact O-N 2.94Å; Y131-I134 PolarHBondContact O-N 3.4Å; I134-Q136 PolarHBondContact O-N 3.36Å; I134-I137 HydrophobicContact CD1-CD1 4.46Å; I134-I137 PolarHBondContact O-N 3Å; I134-A138 CarbonylContact O-C 3.54Å; I134-A138 WeakPolarHBondContact O-CA 3.43Å; I134-A138 PolarHBondContact O-N 2.85Å; I134-I141 HydrophobicContact CG2-CB 4.37Å; I134-I141 HydrophobicContact CG2-CG2 4.1Å; I134-V143 HydrophobicContact CB-CG2 4.24Å; I134-V143 HydrophobicContact CG1-CG2 4.45Å; I134-V143 HydrophobicContact CG2-CG2 3.72Å; I134-W303 HydrophobicContact CD1-CH2 3.76Å; I134-W303 HydrophobicContact CD1-CZ3 4.18Å; I134-W303 HydrophobicContact CG2-CH2 4.45Å; I134-M304 HydrophobicContact CD1-CE 4.17Å; I134-M304 HydrophobicContact CD1-SD 3.94Å; I134-M304 HydrophobicContact CG1-CE 4.48Å; I134-M304 HydrophobicContact CG1-SD 4.44Å; I134-Q307 HydrophobicContact CD1-CB 3.85Å; I134-Q307 HydrophobicContact CD1-CG 3.95Å
135	E	95.3	Very high	96.3	Very high	106 Å²	106	60.1 Å²	60.1	50%	0.495	30%	0.303	S	S	.	.	H	α-helix	trans	-55.6	-38.3	175.8	-175.8	179.4	-162.3	0	0	111.7	Y131 P139	Y131-E135 WeakPolarHBondContact CE1-OE2 3.48Å; Y131-E135 WeakPolarHBondContact O-CB 3.39Å; Y131-E135 PolarHBondContact O-N 3.47Å; E135-P139 WeakPolarHBondContact O-CA 3.44Å
136	Q	95.9	Very high	96.3	Very high	161 Å²	161	63 Å²	63	75%	0.752	31%	0.314	S	S	*	.	H	α-helix	trans	-69	-41.7	179.6	-175.9	-178.4	-21.1	0	0	113.4	N132 H133 I134	N132-Q136 WeakPolarHBondContact O-CB 3.41Å; N132-Q136 PolarHBondContact O-N 2.9Å; H133-Q136 PolarHBondContact O-N 2.98Å; I134-Q136 PolarHBondContact O-N 3.36Å
137	I	95.8	Very high	96.2	Very high	63 Å²	63	65.7 Å²	65.7	32%	0.323	33%	0.333	S	S	.	.	H	α-helix	trans	-96.3	-20.4	-172.7	68	176.2	0	0	0	113.9	H133 I134 W303 Q307	H133-I137 PolarHBondContact O-N 3.49Å; I134-I137 HydrophobicContact CD1-CD1 4.46Å; I134-I137 PolarHBondContact O-N 3Å; I137-W303 HydrophobicContact CD1-CH2 4.2Å; I137-W303 HydrophobicContact CD1-CZ2 3.53Å; I137-W303 HydrophobicContact CG1-CH2 4.41Å; I137-W303 HydrophobicContact CG1-CZ2 3.98Å; I137-Q307 HydrophobicContact CD1-CG 3.99Å
138	A	96	Very high	95.8	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.342	C	S	.	.			trans	-147.6	69.1	-175.3	0	0	0	0	0	110.3	P107 I134 N140 I141 W303	P107-A138 HydrophobicContact CB-CB 3.84Å; P107-A138 WeakPolarHBondContact O-CB 3.37Å; I134-A138 CarbonylContact O-C 3.54Å; I134-A138 WeakPolarHBondContact O-CA 3.43Å; I134-A138 PolarHBondContact O-N 2.85Å; A138-N140 PolarHBondContact O-N 3.23Å; A138-I141 HydrophobicContact CB-CB 4.14Å; A138-I141 HydrophobicContact CB-CD1 3.51Å; A138-I141 HydrophobicContact CB-CG1 3.86Å; A138-I141 WeakPolarHBondContact O-CB 3.35Å; A138-I141 PolarHBondContact O-N 3.23Å; A138-W303 HydrophobicContact CB-CH2 3.78Å; A138-W303 HydrophobicContact CB-CZ2 4.14Å
139	P	94.3	Very high	95.5	Very high	83 Å²	83	64.2 Å²	64.2	54%	0.539	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.1	-168.8	25.2	-36	0	0	0	114.8	E135	E135-P139 WeakPolarHBondContact O-CA 3.44Å
140	N	95.4	Very high	95.1	Very high	77 Å²	77	63.6 Å²	63.6	41%	0.412	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-10.4	178.7	-61	-45.2	0	0	0	112.7	A108 S110 E111 A138	A108-N140 PolarHBondContact O-ND2 2.86Å; S110-N140 CarbonylContact O-C 3.59Å; S110-N140 WeakPolarHBondContact O-CB 3.16Å; E111-N140 WeakPolarHBondContact CA-O 3.21Å; E111-N140 HydrophobicContact CG-CB 4.39Å; A138-N140 PolarHBondContact O-N 3.23Å
141	I	95.9	Very high	94.6	Very high	11 Å²	11	71.7 Å²	71.7	6%	0.056	36%	0.36	C	S	.	.			trans	-78.4	135.1	175.1	-68.5	-178.2	0	0	0	109.3	F105 S110 R112 F114 I134 A138 V143 W303 M304	F105-I141 HydrophobicContact CE1-CD1 4.27Å; F105-I141 HydrophobicContact CZ-CD1 3.63Å; S110-I141 WeakPolarHBondContact O-CG1 3.29Å; S110-I141 PolarHBondContact O-N 2.96Å; R112-I141 WeakPolarHBondContact O-CG2 3.46Å; F114-I141 HydrophobicContact CD2-CG2 3.63Å; F114-I141 HydrophobicContact CE2-CD1 4.22Å; F114-I141 HydrophobicContact CE2-CG2 3.86Å; I134-I141 HydrophobicContact CG2-CB 4.37Å; I134-I141 HydrophobicContact CG2-CG2 4.1Å; A138-I141 HydrophobicContact CB-CB 4.14Å; A138-I141 HydrophobicContact CB-CD1 3.51Å; A138-I141 HydrophobicContact CB-CG1 3.86Å; A138-I141 WeakPolarHBondContact O-CB 3.35Å; A138-I141 PolarHBondContact O-N 3.23Å; I141-V143 HydrophobicContact CG2-CG2 4.22Å; I141-W303 HydrophobicContact CD1-CE3 4.37Å; I141-W303 HydrophobicContact CD1-CH2 3.72Å; I141-W303 HydrophobicContact CD1-CZ3 3.54Å; I141-M304 HydrophobicContact CG2-CE 4.39Å
142	H	95.1	Very high	94.2	Very high	112 Å²	112	70.8 Å²	70.8	52%	0.519	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131	173.6	-62.3	-65	0	0	0	110.6	R112 V113 F114	R112-H142 PolarHBondContact O-N 2.92Å; V113-H142 CarbonylContact C-O 3.56Å; V113-H142 VanDerWaalsContact CA-O 3.26Å; V113-H142 WeakPolarHBondContact CA-O 3.29Å; V113-H142 HydrophobicContact CB-CB 4.47Å; V113-H142 HydrophobicContact CG1-CB 4.25Å; V113-H142 HydrophobicContact CG2-CB 4.15Å; F114-H142 PolarHBondContact N-O 3.07Å
143	V	96.7	Very high	93.9	Very high	18 Å²	18	66.4 Å²	66.4	11%	0.109	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.6	175.9	-167.8	0	0	0	0	109.4	F114 L116 I134 I141 F145 M304	F114-V143 CarbonylContact O-C 3.51Å; F114-V143 WeakPolarHBondContact O-CA 3.47Å; L116-V143 HydrophobicContact CD1-CG1 3.4Å; L116-V143 HydrophobicContact CG-CG1 3.71Å; I134-V143 HydrophobicContact CB-CG2 4.24Å; I134-V143 HydrophobicContact CG1-CG2 4.45Å; I134-V143 HydrophobicContact CG2-CG2 3.72Å; I141-V143 HydrophobicContact CG2-CG2 4.22Å; V143-F145 HydrophobicContact CB-CE2 3.71Å; V143-F145 HydrophobicContact CB-CZ 4.06Å; V143-F145 HydrophobicContact CG1-CD2 4.11Å; V143-F145 HydrophobicContact CG1-CE1 4.02Å; V143-F145 HydrophobicContact CG1-CE2 3.39Å; V143-F145 HydrophobicContact CG1-CZ 3.36Å; V143-M304 HydrophobicContact CG2-CE 4.17Å
144	M	96.6	Very high	93.6	Very high	104 Å²	104	65.9 Å²	65.9	51%	0.512	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.5	-179.6	-69.4	-65.1	-63.4	0	0	109.5	V113 F114 H115 L116	V113-M144 HydrophobicContact CG1-CB 4.48Å; V113-M144 HydrophobicContact CG1-CG 3.61Å; F114-M144 PolarHBondContact O-N 2.81Å; H115-M144 CarbonylContact C-O 3.49Å; H115-M144 WeakPolarHBondContact CA-O 3.49Å; L116-M144 PolarHBondContact N-O 3.37Å
145	F	97	Very high	93.2	Very high	54 Å²	54	68.3 Å²	68.3	24%	0.237	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	142.8	-176.5	-64.4	-93.2	0	0	0	112.9	L116 V118 T127 I130 Y131 V143	L116-F145 HydrophobicContact CB-CD1 4.11Å; L116-F145 HydrophobicContact CB-CE1 4.27Å; L116-F145 HydrophobicContact CD1-CD1 4.45Å; L116-F145 HydrophobicContact CD1-CE1 3.78Å; L116-F145 HydrophobicContact CD1-CZ 4.19Å; L116-F145 CarbonylContact O-C 3.52Å; L116-F145 WeakPolarHBondContact O-CA 3.32Å; V118-F145 HydrophobicContact CG2-CD1 3.9Å; V118-F145 HydrophobicContact CG2-CE1 4.15Å; T127-F145 HydrophobicContact CG2-CB 4.32Å; T127-F145 HydrophobicContact CG2-CD1 3.78Å; T127-F145 HydrophobicContact CG2-CD2 4.09Å; T127-F145 HydrophobicContact CG2-CE1 4.01Å; T127-F145 HydrophobicContact CG2-CE2 4.32Å; T127-F145 HydrophobicContact CG2-CG 3.8Å; T127-F145 HydrophobicContact CG2-CZ 4.27Å; I130-F145 HydrophobicContact CB-CE1 4.21Å; I130-F145 HydrophobicContact CB-CZ 4.11Å; I130-F145 HydrophobicContact CD1-CE1 4.4Å; I130-F145 HydrophobicContact CG2-CE1 4.01Å; I130-F145 HydrophobicContact CG2-CZ 3.78Å; Y131-F145 HydrophobicContact CD2-CE2 4.07Å; V143-F145 HydrophobicContact CB-CE2 3.71Å; V143-F145 HydrophobicContact CB-CZ 4.06Å; V143-F145 HydrophobicContact CG1-CD2 4.11Å; V143-F145 HydrophobicContact CG1-CE1 4.02Å; V143-F145 HydrophobicContact CG1-CE2 3.39Å; V143-F145 HydrophobicContact CG1-CZ 3.36Å
146	K	95.1	Very high	92.9	Very high	90 Å²	90	64.5 Å²	64.5	39%	0.391	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.6	164.1	-67.1	173.8	-176.2	159.5	0	109.2	L116 C117 V118	L116-K146 PolarHBondContact O-N 3.28Å; C117-K146 CarbonylContact C-O 3.56Å; C117-K146 VanDerWaalsContact CA-O 3.29Å; C117-K146 WeakPolarHBondContact CA-O 3.34Å; C117-K146 HydrophobicContact CB-CB 4.43Å; V118-K146 PolarHBondContact N-O 2.87Å
147	S	93.1	Very high	92.7	Very high	57 Å²	57	57 Å²	57	40%	0.399	30%	0.296	S	S	.	.			trans	-106.5	0.2	-175.6	58.2	0	0	0	0	115.4	V118 C119 S120 D123 R218	V118-S147 VanDerWaalsContact O-CA 3.26Å; V118-S147 WeakPolarHBondContact O-CA 3.46Å; C119-S147 WeakPolarHBondContact CA-O 3.24Å; S120-S147 PolarHBondContact N-O 3.02Å; D123-S147 WeakPolarHBondContact OD2-CB 3.26Å; S147-R218 PolarHBondContact O-NH2 2.86Å
148	S	88.6	Confident	92.2	Very high	58 Å²	58	56.7 Å²	56.7	41%	0.406	29%	0.291	S	S	.	.			trans	-142.8	135.3	-172.1	63.3	0	0	0	0	113.6
149	L	89.9	Confident	91.3	Very high	11 Å²	11	57.7 Å²	57.7	6%	0.058	29%	0.294	C	S	.	.			trans	-79.9	159	165.6	-52.8	178.5	0	0	0	111	C117 C119 T153 V165 F171 F219 A220	C117-L149 HydrophobicContact CB-CD2 4.46Å; C117-L149 VanDerWaalsContact SG-CD2 3.56Å; C119-L149 WeakPolarHBondContact SG-CD2 3.19Å; C119-L149 WeakPolarHBondContact SG-CG 3.48Å; L149-T153 WeakPolarHBondContact CA-OG1 3.38Å; L149-T153 HydrophobicContact CD2-CG2 3.48Å; L149-T153 VanDerWaalsContact CD2-CG2 3.48Å; L149-V165 HydrophobicContact CD1-CG1 4.34Å; L149-V165 HydrophobicContact CD2-CG1 3.62Å; L149-V165 HydrophobicContact CD2-CG2 4Å; L149-F171 HydrophobicContact CD1-CZ 4.44Å; L149-F219 HydrophobicContact CB-CD1 3.67Å; L149-F219 HydrophobicContact CB-CE1 4.25Å; L149-A220 HydrophobicContact CD1-CB 3.92Å
150	N	90.5	Very high	90.7	Very high	62 Å²	62	54.2 Å²	54.2	33%	0.332	27%	0.271	S	S	.	.			trans	-146.3	178.3	172.5	64	44.1	0	0	0	109.6	N152 T153	N150-N152 PolarHBondContact O-N 3.22Å; N150-N152 VanDerWaalsContact OD1-CA 3.3Å; N150-N152 WeakPolarHBondContact OD1-CA 3.21Å; N150-N152 VanDerWaalsContact OD1-CB 3.31Å; N150-N152 WeakPolarHBondContact OD1-CB 3.45Å; N150-N152 PolarHBondContact OD1-N 2.68Å; N150-T153 PolarHBondContact N-OG1 2.79Å; N150-T153 WeakPolarHBondContact O-CB 3.37Å; N150-T153 PolarHBondContact O-N 3.37Å; N150-T153 PolarHBondContact O-OG1 3.07Å; N150-T153 PolarHBondContact OD1-N 2.87Å
151	Q	87.6	Confident	90.3	Very high	169 Å²	169	54.1 Å²	54.1	79%	0.79	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19	-178.4	-65.2	174.1	0.5	0	0	113.5	F219	Q151-F219 HydrophobicContact CG-CD2 3.92Å; Q151-F219 HydrophobicContact CG-CE2 4.33Å
152	N	88.6	Confident	90.1	Very high	99 Å²	99	53.7 Å²	53.7	53%	0.529	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	3.3	177.4	-62.8	-27.6	0	0	0	113	N150 E154 H155 Q156	N150-N152 PolarHBondContact O-N 3.22Å; N150-N152 VanDerWaalsContact OD1-CA 3.3Å; N150-N152 WeakPolarHBondContact OD1-CA 3.21Å; N150-N152 VanDerWaalsContact OD1-CB 3.31Å; N150-N152 WeakPolarHBondContact OD1-CB 3.45Å; N150-N152 PolarHBondContact OD1-N 2.68Å; N152-E154 PolarHBondContact O-N 2.81Å; N152-H155 HydrophobicContact CB-CB 4.44Å; N152-H155 CarbonylContact O-C 3.46Å; N152-H155 WeakPolarHBondContact O-CA 3.24Å; N152-H155 VanDerWaalsContact O-CB 3.22Å; N152-H155 WeakPolarHBondContact O-CB 3.42Å; N152-H155 PolarHBondContact O-N 2.82Å; N152-Q156 WeakPolarHBondContact O-CG 3.37Å; N152-Q156 PolarHBondContact O-N 3.45Å
153	T	91.6	Very high	90	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-43.1	-175.8	-61.4	0	0	0	0	112.7	L149 N150 H155 Q156 L157 V165 F171	L149-T153 WeakPolarHBondContact CA-OG1 3.38Å; L149-T153 HydrophobicContact CD2-CG2 3.48Å; L149-T153 VanDerWaalsContact CD2-CG2 3.48Å; N150-T153 PolarHBondContact N-OG1 2.79Å; N150-T153 WeakPolarHBondContact O-CB 3.37Å; N150-T153 PolarHBondContact O-N 3.37Å; N150-T153 PolarHBondContact O-OG1 3.07Å; N150-T153 PolarHBondContact OD1-N 2.87Å; T153-H155 PolarHBondContact O-N 3.22Å; T153-Q156 WeakPolarHBondContact O-CB 3.44Å; T153-Q156 PolarHBondContact O-N 3.01Å; T153-Q156 VanDerWaalsContact O-N 3.07Å; T153-L157 HydrophobicContact CG2-CD1 4.44Å; T153-L157 PolarHBondContact O-N 2.89Å; T153-V165 HydrophobicContact CG2-CG2 3.74Å; T153-F171 HydrophobicContact CG2-CE1 4.42Å; T153-F171 HydrophobicContact CG2-CZ 4.11Å
154	E	90.6	Very high	90.1	Very high	46 Å²	46	48.1 Å²	48.1	22%	0.215	24%	0.239	C	C	.	.	H	α-helix	trans	-58.8	-37.1	174.4	-72.5	-174.3	166.8	0	0	111.8	N152 R158 F171 R173 F176	N152-E154 PolarHBondContact O-N 2.81Å; E154-R158 VanDerWaalsContact O-CB 3.29Å; E154-R158 WeakPolarHBondContact O-CB 3.11Å; E154-R158 PolarHBondContact O-N 2.89Å; E154-F171 HydrophobicContact CG-CD1 3.93Å; E154-F171 HydrophobicContact CG-CE1 4Å; E154-R173 VanDerWaalsContact CD-NE 3.3Å; E154-R173 IonicContact OE1-CZ 2.76Å; E154-R173 IonicContact OE1-NE 3.8Å; E154-R173 PolarHBondContact OE1-NE 2.89Å; E154-R173 IonicContact OE1-NH2 2.64Å; E154-R173 IonicContact OE2-CZ 2.75Å; E154-R173 IonicContact OE2-NE 3.68Å; E154-R173 PolarHBondContact OE2-NE 3.07Å; E154-R173 IonicContact OE2-NH1 3.01Å; E154-R173 IonicContact OE2-NH2 3.38Å; E154-R173 PolarHBondContact OE2-NH2 3.3Å; E154-F176 HydrophobicContact CB-CE2 4.06Å; E154-F176 HydrophobicContact CB-CZ 3.74Å; E154-F176 HydrophobicContact CG-CE2 3.83Å; E154-F176 HydrophobicContact CG-CZ 3.98Å
155	H	87.1	Confident	90.1	Very high	53 Å²	53	43.1 Å²	43.1	25%	0.245	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-53.9	171.8	-178.1	-77.3	0	0	0	109.3	F83 N152 T153 L157 R158 Y159	F83-H155 AromaticContact CD1-NE2 3.65Å; F83-H155 AromaticContact CE1-CE1 3.68Å; F83-H155 AromaticContact CE1-NE2 3.37Å; F83-H155 WeakPolarHBondContact CE1-NE2 3.26Å; F83-H155 AromaticContact CZ-NE2 3.92Å; N152-H155 HydrophobicContact CB-CB 4.44Å; N152-H155 CarbonylContact O-C 3.46Å; N152-H155 WeakPolarHBondContact O-CA 3.24Å; N152-H155 VanDerWaalsContact O-CB 3.22Å; N152-H155 WeakPolarHBondContact O-CB 3.42Å; N152-H155 PolarHBondContact O-N 2.82Å; T153-H155 PolarHBondContact O-N 3.22Å; H155-L157 VanDerWaalsContact C-N 3.27Å; H155-L157 PolarHBondContact O-N 3.42Å; H155-R158 WeakPolarHBondContact O-CA 3.04Å; H155-R158 WeakPolarHBondContact O-CB 3.47Å; H155-R158 PolarHBondContact O-N 3.04Å; H155-Y159 HydrophobicContact CB-CD2 4.21Å; H155-Y159 HydrophobicContact CB-CE2 4.22Å; H155-Y159 AromaticContact CD2-CD2 3.5Å; H155-Y159 VanDerWaalsContact CD2-CD2 3.5Å; H155-Y159 WeakPolarHBondContact CD2-CD2 3.48Å; H155-Y159 AromaticContact CD2-CE2 3.08Å; H155-Y159 WeakPolarHBondContact CD2-CE2 3.37Å; H155-Y159 AromaticContact CE1-CD2 3.17Å; H155-Y159 WeakPolarHBondContact CE1-CD2 3.36Å; H155-Y159 AromaticContact CE1-CE2 3.52Å; H155-Y159 AromaticContact CE1-CG 3.97Å; H155-Y159 AromaticContact CG-CD2 3.36Å; H155-Y159 AromaticContact CG-CE2 3.4Å; H155-Y159 VanDerWaalsContact CG-CE2 3.4Å; H155-Y159 AromaticContact ND1-CD2 3.21Å; H155-Y159 WeakPolarHBondContact ND1-CD2 3.48Å; H155-Y159 AromaticContact ND1-CE2 3.7Å; H155-Y159 AromaticContact NE2-CD2 3.36Å; H155-Y159 WeakPolarHBondContact NE2-CD2 3.3Å; H155-Y159 AromaticContact NE2-CE2 3.15Å; H155-Y159 WeakPolarHBondContact NE2-CE2 3.44Å; H155-Y159 AromaticContact NE2-CZ 3.95Å; H155-Y159 WeakPolarHBondContact O-CD2 3.22Å; H155-Y159 PolarHBondContact O-N 3.19Å
156	Q	89.6	Confident	90.1	Very high	26 Å²	26	40.7 Å²	40.7	12%	0.121	20%	0.204	C	C	.	.	H	α-helix	trans	-53.7	-41.4	179.4	-67.7	176.7	-26	0	0	113.2	N152 T153 Q160 E161 T162	N152-Q156 WeakPolarHBondContact O-CG 3.37Å; N152-Q156 PolarHBondContact O-N 3.45Å; T153-Q156 WeakPolarHBondContact O-CB 3.44Å; T153-Q156 PolarHBondContact O-N 3.01Å; T153-Q156 VanDerWaalsContact O-N 3.07Å; Q156-Q160 CarbonylContact O-C 3.57Å; Q156-Q160 WeakPolarHBondContact O-CA 3.47Å; Q156-Q160 PolarHBondContact O-N 3Å; Q156-E161 HydrophobicContact CB-CB 4.18Å; Q156-E161 HydrophobicContact CG-CB 4.34Å; Q156-E161 WeakPolarHBondContact CG-OE2 3.47Å; Q156-E161 PolarHBondContact O-N 3.31Å; Q156-T162 PolarHBondContact O-N 2.95Å
157	L	91.1	Very high	90.2	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-48.1	173.3	-75.4	174.6	0	0	0	112	T153 H155 Y159 Q160 T162 V165 F171 F176 H292	T153-L157 HydrophobicContact CG2-CD1 4.44Å; T153-L157 PolarHBondContact O-N 2.89Å; H155-L157 VanDerWaalsContact C-N 3.27Å; H155-L157 PolarHBondContact O-N 3.42Å; L157-Y159 VanDerWaalsContact C-N 3.27Å; L157-Y159 PolarHBondContact O-N 2.86Å; L157-Q160 PolarHBondContact O-N 3.48Å; L157-Q160 VanDerWaalsContact O-N 3.16Å; L157-T162 WeakPolarHBondContact CA-O 3.36Å; L157-T162 HydrophobicContact CD2-CG2 4.27Å; L157-T162 WeakPolarHBondContact CD2-O 3.28Å; L157-V165 HydrophobicContact CD1-CG2 3.94Å; L157-V165 HydrophobicContact CD2-CG2 3.88Å; L157-V165 HydrophobicContact CG-CG2 4.05Å; L157-F171 HydrophobicContact CD1-CE1 4.28Å; L157-F171 HydrophobicContact CD1-CE2 4.45Å; L157-F171 HydrophobicContact CD1-CZ 4.22Å; L157-F176 HydrophobicContact CB-CD1 4.24Å; L157-F176 HydrophobicContact CB-CE1 3.61Å; L157-F176 HydrophobicContact CD1-CD1 4.06Å; L157-F176 HydrophobicContact CD1-CE1 4.01Å; L157-F176 HydrophobicContact CG-CE1 4.49Å; L157-H292 HydrophobicContact CB-CB 4.45Å; L157-H292 WeakPolarHBondContact O-CB 3.44Å
158	R	85.3	Confident	90.2	Very high	57 Å²	57	34.7 Å²	34.7	22%	0.215	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-38.6	178.2	-175	-179.4	-60.6	122.8	3.1	112.3	E154 H155 E175	E154-R158 VanDerWaalsContact O-CB 3.29Å; E154-R158 WeakPolarHBondContact O-CB 3.11Å; E154-R158 PolarHBondContact O-N 2.89Å; H155-R158 WeakPolarHBondContact O-CA 3.04Å; H155-R158 WeakPolarHBondContact O-CB 3.47Å; H155-R158 PolarHBondContact O-N 3.04Å; R158-E175 IonicContact CZ-OE1 2.89Å; R158-E175 IonicContact NE-OE1 3.04Å; R158-E175 IonicContact NH2-OE1 3.95Å; R158-E175 PolarHBondContact NH2-OE1 3.44Å
159	Y	78.5	Confident	90.4	Very high	21 Å²	21	35.5 Å²	35.5	8%	0.082	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	7.4	-179.2	-57.8	-75.4	0	0	0	113.3	M34 F83 F86 H155 L157 E161	M34-Y159 HydrophobicContact CE-CD1 4.25Å; M34-Y159 HydrophobicContact CE-CE1 4.47Å; F83-Y159 HydrophobicContact CB-CE1 4.2Å; F83-Y159 WeakPolarHBondContact CB-OH 3.43Å; F83-Y159 HydrophobicContact CD1-CD1 4.02Å; F83-Y159 AromaticContact CD1-CE1 3.53Å; F83-Y159 HydrophobicContact CD1-CE1 3.53Å; F83-Y159 HydrophobicContact CD1-CE2 4.07Å; F83-Y159 AromaticContact CD1-CZ 3.55Å; F83-Y159 HydrophobicContact CE1-CE1 4.42Å; F83-Y159 HydrophobicContact CG-CE1 4.35Å; F83-Y159 VanDerWaalsContact O-CE1 3.26Å; F83-Y159 WeakPolarHBondContact O-CE1 3.43Å; F83-Y159 PolarHBondContact O-OH 3.25Å; F86-Y159 HydrophobicContact CB-CD1 3.98Å; F86-Y159 HydrophobicContact CB-CE1 3.89Å; F86-Y159 AromaticContact CD1-CD1 3.23Å; F86-Y159 HydrophobicContact CD1-CD1 3.23Å; F86-Y159 AromaticContact CD1-CE1 3.96Å; F86-Y159 HydrophobicContact CD1-CE1 3.96Å; F86-Y159 HydrophobicContact CD1-CG 4.13Å; F86-Y159 AromaticContact CE1-CD1 3.9Å; F86-Y159 HydrophobicContact CE1-CD1 3.9Å; F86-Y159 HydrophobicContact CE1-CG 4.43Å; F86-Y159 WeakPolarHBondContact CE1-O 3.38Å; F86-Y159 AromaticContact CG-CD1 3.88Å; F86-Y159 HydrophobicContact CG-CD1 3.88Å; F86-Y159 HydrophobicContact CG-CE1 4.31Å; H155-Y159 HydrophobicContact CB-CD2 4.21Å; H155-Y159 HydrophobicContact CB-CE2 4.22Å; H155-Y159 AromaticContact CD2-CD2 3.5Å; H155-Y159 VanDerWaalsContact CD2-CD2 3.5Å; H155-Y159 WeakPolarHBondContact CD2-CD2 3.48Å; H155-Y159 AromaticContact CD2-CE2 3.08Å; H155-Y159 WeakPolarHBondContact CD2-CE2 3.37Å; H155-Y159 AromaticContact CE1-CD2 3.17Å; H155-Y159 WeakPolarHBondContact CE1-CD2 3.36Å; H155-Y159 AromaticContact CE1-CE2 3.52Å; H155-Y159 AromaticContact CE1-CG 3.97Å; H155-Y159 AromaticContact CG-CD2 3.36Å; H155-Y159 AromaticContact CG-CE2 3.4Å; H155-Y159 VanDerWaalsContact CG-CE2 3.4Å; H155-Y159 AromaticContact ND1-CD2 3.21Å; H155-Y159 WeakPolarHBondContact ND1-CD2 3.48Å; H155-Y159 AromaticContact ND1-CE2 3.7Å; H155-Y159 AromaticContact NE2-CD2 3.36Å; H155-Y159 WeakPolarHBondContact NE2-CD2 3.3Å; H155-Y159 AromaticContact NE2-CE2 3.15Å; H155-Y159 WeakPolarHBondContact NE2-CE2 3.44Å; H155-Y159 AromaticContact NE2-CZ 3.95Å; H155-Y159 WeakPolarHBondContact O-CD2 3.22Å; H155-Y159 PolarHBondContact O-N 3.19Å; L157-Y159 VanDerWaalsContact C-N 3.27Å; L157-Y159 PolarHBondContact O-N 2.86Å; Y159-E161 PolarHBondContact O-N 3.37Å; Y159-E161 VanDerWaalsContact O-N 3.09Å
160	Q	80.7	Confident	90.4	Very high	11 Å²	11	37 Å²	37	5%	0.051	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	29.1	179.6	-57.8	-179.4	24.5	0	0	113.6	Q156 L157 A295	Q156-Q160 CarbonylContact O-C 3.57Å; Q156-Q160 WeakPolarHBondContact O-CA 3.47Å; Q156-Q160 PolarHBondContact O-N 3Å; L157-Q160 PolarHBondContact O-N 3.48Å; L157-Q160 VanDerWaalsContact O-N 3.16Å; Q160-A295 HydrophobicContact CG-CB 4.18Å
161	E	86.3	Confident	90.3	Very high	75 Å²	75	34.6 Å²	34.6	35%	0.35	16%	0.162	S	C	.	.	S	Bend	trans	-72.7	-20.1	164.7	-61.3	177.8	-174.2	0	0	111.2	H115 Q156 Y159	H115-E161 WeakPolarHBondContact CB-O 3.4Å; Q156-E161 HydrophobicContact CB-CB 4.18Å; Q156-E161 HydrophobicContact CG-CB 4.34Å; Q156-E161 WeakPolarHBondContact CG-OE2 3.47Å; Q156-E161 PolarHBondContact O-N 3.31Å; Y159-E161 PolarHBondContact O-N 3.37Å; Y159-E161 VanDerWaalsContact O-N 3.09Å
162	T	92.8	Very high	90.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	16%	0.159	C	C	.	.	S	Bend	trans	-135.7	124.5	168.3	-60.6	0	0	0	0	105.9	C117 Q156 L157 F164 V165	C117-T162 HydrophobicContact CB-CG2 3.98Å; Q156-T162 PolarHBondContact O-N 2.95Å; L157-T162 WeakPolarHBondContact CA-O 3.36Å; L157-T162 HydrophobicContact CD2-CG2 4.27Å; L157-T162 WeakPolarHBondContact CD2-O 3.28Å; T162-F164 WeakPolarHBondContact CG2-O 3.18Å; T162-V165 HydrophobicContact CG2-CG2 4.18Å
163	E	93.5	Very high	90.2	Very high	12 Å²	12	35 Å²	35	6%	0.056	16%	0.156	C	C	.	.	S	Bend	trans	-85.4	-32.6	-178.8	-72.1	83.2	169.1	0	0	112.3	H115 W291 H301	H115-E163 WeakPolarHBondContact CA-OE2 3.44Å; H115-E163 WeakPolarHBondContact CB-OE2 3.47Å; H115-E163 IonicContact CG-OE2 3.5Å; H115-E163 PolarHBondContact N-OE2 3.34Å; H115-E163 IonicContact ND1-OE1 2.73Å; H115-E163 IonicContact ND1-OE2 3.55Å; H115-E163 PolarHBondContact O-N 2.86Å; E163-W291 VanDerWaalsContact O-CB 3.28Å; E163-W291 WeakPolarHBondContact O-CB 3.35Å; E163-H301 PolarHBondContact O-NE2 3.28Å
164	F	97.2	Very high	89.9	Confident	1 Å²	1	40.7 Å²	40.7	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	147	-179.5	-61.1	-87.7	0	0	0	112.6	L116 C117 T162 L289 S290 W291 H301 M304 E305 L308	L116-F164 HydrophobicContact CD2-CB 3.77Å; L116-F164 HydrophobicContact CD2-CD2 3.52Å; L116-F164 HydrophobicContact CD2-CG 4.07Å; C117-F164 PolarHBondContact N-O 3.04Å; T162-F164 WeakPolarHBondContact CG2-O 3.18Å; F164-L289 HydrophobicContact CB-CD1 3.93Å; F164-L289 HydrophobicContact CD1-CD1 3.74Å; F164-L289 HydrophobicContact CD1-CD2 4.35Å; F164-L289 HydrophobicContact CD1-CG 4.13Å; F164-L289 HydrophobicContact CG-CD1 4.17Å; F164-S290 CarbonylContact C-O 3.58Å; F164-S290 WeakPolarHBondContact CA-O 3.37Å; F164-W291 HydrophobicContact CD1-CB 3.88Å; F164-W291 HydrophobicContact CD1-CD2 4.44Å; F164-W291 HydrophobicContact CD1-CE3 4.17Å; F164-W291 HydrophobicContact CD1-CG 4.38Å; F164-W291 HydrophobicContact CE1-CB 4.13Å; F164-W291 HydrophobicContact CE1-CD2 4.21Å; F164-W291 HydrophobicContact CE1-CE3 4.17Å; F164-W291 HydrophobicContact CE1-CG 4.23Å; F164-H301 AromaticContact CD1-NE2 3.98Å; F164-H301 AromaticContact CE1-CE1 3.19Å; F164-H301 WeakPolarHBondContact CE1-CE1 3.47Å; F164-H301 AromaticContact CE1-ND1 3.95Å; F164-H301 AromaticContact CE1-NE2 3.4Å; F164-H301 WeakPolarHBondContact CE1-NE2 2.96Å; F164-H301 AromaticContact CE2-CD2 3.56Å; F164-H301 AromaticContact CE2-CE1 3.91Å; F164-H301 AromaticContact CE2-NE2 3.43Å; F164-H301 WeakPolarHBondContact CE2-NE2 3.41Å; F164-H301 AromaticContact CZ-CD2 3.5Å; F164-H301 VanDerWaalsContact CZ-CD2 3.5Å; F164-H301 WeakPolarHBondContact CZ-CD2 3.49Å; F164-H301 AromaticContact CZ-CE1 3.09Å; F164-H301 WeakPolarHBondContact CZ-CE1 3.37Å; F164-H301 AromaticContact CZ-CG 3.71Å; F164-H301 AromaticContact CZ-ND1 3.49Å; F164-H301 WeakPolarHBondContact CZ-ND1 3.47Å; F164-H301 AromaticContact CZ-NE2 3.1Å; F164-H301 WeakPolarHBondContact CZ-NE2 3.49Å; F164-H301 WeakPolarHBondContact CZ-O 3.34Å; F164-M304 HydrophobicContact CD2-CG 4.11Å; F164-M304 HydrophobicContact CE2-CB 3.86Å; F164-M304 HydrophobicContact CE2-CG 3.56Å; F164-M304 HydrophobicContact CZ-CB 4.23Å; F164-M304 HydrophobicContact CZ-CG 4.26Å; F164-E305 HydrophobicContact CE1-CB 3.82Å; F164-E305 HydrophobicContact CE1-CG 4.23Å; F164-E305 HydrophobicContact CZ-CB 3.9Å; F164-L308 HydrophobicContact CB-CD1 4.05Å; F164-L308 HydrophobicContact CD1-CD1 4.07Å; F164-L308 HydrophobicContact CD2-CD1 3.85Å; F164-L308 HydrophobicContact CE1-CD1 4.44Å; F164-L308 HydrophobicContact CE2-CD1 4.26Å; F164-L308 HydrophobicContact CG-CD1 3.72Å
165	V	97.6	Very high	89.8	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.2	170.1	169.7	0	0	0	0	108.6	C117 L149 T153 L157 T162 F171 L289 S290	C117-V165 HydrophobicContact CB-CG2 4.04Å; C117-V165 CarbonylContact O-C 3.47Å; C117-V165 WeakPolarHBondContact O-CA 3.12Å; L149-V165 HydrophobicContact CD1-CG1 4.34Å; L149-V165 HydrophobicContact CD2-CG1 3.62Å; L149-V165 HydrophobicContact CD2-CG2 4Å; T153-V165 HydrophobicContact CG2-CG2 3.74Å; L157-V165 HydrophobicContact CD1-CG2 3.94Å; L157-V165 HydrophobicContact CD2-CG2 3.88Å; L157-V165 HydrophobicContact CG-CG2 4.05Å; T162-V165 HydrophobicContact CG2-CG2 4.18Å; V165-F171 HydrophobicContact CB-CE2 4.18Å; V165-F171 HydrophobicContact CG1-CE2 3.83Å; V165-F171 HydrophobicContact CG1-CZ 4.17Å; V165-L289 CarbonylContact O-C 3.5Å; V165-L289 WeakPolarHBondContact O-CA 3.31Å; V165-S290 PolarHBondContact N-O 2.79Å; V165-S290 PolarHBondContact O-N 3.26Å
166	I	97.4	Very high	90.1	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.7	166.8	-59.1	179.3	0	0	0	107.6	C117 V118 C119 L122 L126 I130 L181 C287 Y288 L289 L308	C117-I166 PolarHBondContact O-N 2.97Å; V118-I166 HydrophobicContact CG1-CB 4.3Å; V118-I166 HydrophobicContact CG1-CG2 4.48Å; V118-I166 HydrophobicContact CG2-CB 4.42Å; V118-I166 HydrophobicContact CG2-CD1 4.25Å; C119-I166 WeakPolarHBondContact CB-O 2.87Å; C119-I166 PolarHBondContact N-O 2.97Å; C119-I166 PolarHBondContact SG-O 2.98Å; L122-I166 HydrophobicContact CD1-CG2 4.33Å; L126-I166 HydrophobicContact CD1-CG2 3.71Å; I130-I166 HydrophobicContact CD1-CD1 3.79Å; I166-L181 HydrophobicContact CG2-CD1 3.97Å; I166-C287 VanDerWaalsContact CG2-SG 3.55Å; I166-Y288 VanDerWaalsContact CA-O 3.29Å; I166-Y288 WeakPolarHBondContact CA-O 3.47Å; I166-L289 HydrophobicContact CD1-CD1 4.25Å; I166-L289 HydrophobicContact CG1-CD1 3.67Å; I166-L308 HydrophobicContact CD1-CD2 4.36Å
167	S	95.8	Very high	90.4	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	172.8	-174.8	85.7	0	0	0	0	112.1	C119 E169 C287 Y288	C119-S167 WeakPolarHBondContact SG-CB 3.48Å; S167-E169 VanDerWaalsContact C-N 3.26Å; S167-E169 WeakPolarHBondContact OG-CB 3.49Å; S167-E169 PolarHBondContact OG-N 3.21Å; S167-E169 PolarHBondContact OG-O 3.34Å; S167-C287 CarbonylContact O-C 3.56Å; S167-C287 WeakPolarHBondContact O-CA 3.46Å; S167-Y288 PolarHBondContact N-O 3.22Å; S167-Y288 PolarHBondContact O-N 2.63Å
168	Y	94.8	Very high	90.6	Very high	19 Å²	19	40.9 Å²	40.9	8%	0.075	20%	0.199	C	C	.	.	S	Bend	trans	-88.8	8.2	168.8	-60	-75	0	0	0	113.6	P121 L122 D184 M186 F222 R285 T286 C287	P121-Y168 HydrophobicContact CG-CE2 4.31Å; L122-Y168 HydrophobicContact CD1-CD2 4Å; L122-Y168 HydrophobicContact CD1-CE1 4.49Å; L122-Y168 HydrophobicContact CD1-CE2 3.88Å; L122-Y168 HydrophobicContact CD1-CG 4.38Å; L122-Y168 HydrophobicContact CD2-CE1 4.16Å; L122-Y168 HydrophobicContact CD2-CE2 4.12Å; L122-Y168 HydrophobicContact CG-CD2 4.41Å; L122-Y168 HydrophobicContact CG-CE2 3.8Å; Y168-D184 HydrophobicContact CE1-CB 4.06Å; Y168-D184 WeakPolarHBondContact CE1-OD2 3.41Å; Y168-D184 PolarHBondContact OH-OD2 2.94Å; Y168-M186 HydrophobicContact CE1-CE 4.09Å; Y168-F222 AromaticContact CD2-CD2 3.6Å; Y168-F222 HydrophobicContact CD2-CD2 3.6Å; Y168-F222 HydrophobicContact CD2-CE2 4.01Å; Y168-F222 AromaticContact CE2-CD2 3.42Å; Y168-F222 HydrophobicContact CE2-CD2 3.42Å; Y168-F222 VanDerWaalsContact CE2-CD2 3.42Å; Y168-F222 AromaticContact CE2-CE2 3.5Å; Y168-F222 HydrophobicContact CE2-CE2 3.5Å; Y168-F222 AromaticContact CZ-CE2 3.97Å; Y168-R285 VanDerWaalsContact CB-NE 3.27Å; Y168-R285 HydrophobicContact CD1-CB 3.43Å; Y168-R285 VanDerWaalsContact CD1-CB 3.43Å; Y168-R285 HydrophobicContact CE1-CB 3.88Å; Y168-R285 HydrophobicContact CG-CB 4.01Å; Y168-R285 PolarHBondContact O-NH2 3.45Å; Y168-T286 WeakPolarHBondContact CA-O 3.09Å; Y168-T286 WeakPolarHBondContact CD1-O 3.49Å; Y168-C287 HydrophobicContact CD1-CB 4.26Å; Y168-C287 HydrophobicContact CE1-CB 4.23Å
169	E	91.2	Very high	91.1	Very high	75 Å²	75	40.1 Å²	40.1	35%	0.35	20%	0.2	S	C	.	.			trans	-95.2	137.9	175.4	-164.9	61.6	-154.5	0	0	109.4	S167 A220	S167-E169 VanDerWaalsContact C-N 3.26Å; S167-E169 WeakPolarHBondContact OG-CB 3.49Å; S167-E169 PolarHBondContact OG-N 3.21Å; S167-E169 PolarHBondContact OG-O 3.34Å; E169-A220 HydrophobicContact CB-CB 4.21Å; E169-A220 HydrophobicContact CG-CB 4.27Å
170	D	90.2	Very high	91.9	Very high	42 Å²	42	42.6 Å²	42.6	23%	0.225	22%	0.219	C	C	.	.			trans	-104.2	118.1	173.4	-176.9	8.8	0	0	0	109.6	H172 S178 Y288	D170-H172 VanDerWaalsContact CG-CE1 3.44Å; D170-H172 PolarHBondContact O-N 3.2Å; D170-H172 IonicContact OD1-ND1 2.59Å; D170-H172 IonicContact OD2-CE1 3.82Å; D170-H172 PolarHBondContact OD2-CE1 2.82Å; D170-H172 IonicContact OD2-ND1 3.61Å; D170-H172 PolarHBondContact OD2-ND1 3.45Å; D170-S178 WeakPolarHBondContact OD1-CB 3.5Å; D170-S178 PolarHBondContact OD1-OG 3.47Å; D170-Y288 HydrophobicContact CB-CD2 4.22Å; D170-Y288 HydrophobicContact CB-CE1 4.33Å; D170-Y288 HydrophobicContact CB-CE2 3.98Å
171	F	89.6	Confident	92.7	Very high	12 Å²	12	42.4 Å²	42.4	5%	0.053	22%	0.218	C	C	.	.			trans	-78	90.3	177.9	-65.6	-92.4	0	0	0	110.6	L149 T153 E154 L157 V165 R173 F176 S178 S290	L149-F171 HydrophobicContact CD1-CZ 4.44Å; T153-F171 HydrophobicContact CG2-CE1 4.42Å; T153-F171 HydrophobicContact CG2-CZ 4.11Å; E154-F171 HydrophobicContact CG-CD1 3.93Å; E154-F171 HydrophobicContact CG-CE1 4Å; L157-F171 HydrophobicContact CD1-CE1 4.28Å; L157-F171 HydrophobicContact CD1-CE2 4.45Å; L157-F171 HydrophobicContact CD1-CZ 4.22Å; V165-F171 HydrophobicContact CB-CE2 4.18Å; V165-F171 HydrophobicContact CG1-CE2 3.83Å; V165-F171 HydrophobicContact CG1-CZ 4.17Å; F171-R173 PolarHBondContact O-N 3.06Å; F171-R173 VanDerWaalsContact O-N 3.09Å; F171-F176 HydrophobicContact CB-CB 3.81Å; F171-F176 HydrophobicContact CB-CD2 4.05Å; F171-F176 HydrophobicContact CB-CG 4.05Å; F171-S178 PolarHBondContact N-OG 3.06Å; F171-S290 VanDerWaalsContact CD2-CB 3.46Å; F171-S290 WeakPolarHBondContact CD2-OG 3.4Å
172	H	85.4	Confident	93.2	Very high	155 Å²	155	39.6 Å²	39.6	72%	0.718	21%	0.205	S	C	*	.			trans	-71.2	1.2	-174.1	-61.5	-50.2	0	0	0	116.6	D170	D170-H172 VanDerWaalsContact CG-CE1 3.44Å; D170-H172 PolarHBondContact O-N 3.2Å; D170-H172 IonicContact OD1-ND1 2.59Å; D170-H172 IonicContact OD2-CE1 3.82Å; D170-H172 PolarHBondContact OD2-CE1 2.82Å; D170-H172 IonicContact OD2-ND1 3.61Å; D170-H172 PolarHBondContact OD2-ND1 3.45Å
173	R	88.1	Confident	93.4	Very high	122 Å²	122	46.4 Å²	46.4	46%	0.46	24%	0.235	S	C	.	.	S	Bend	trans	-80.6	143.7	-179	-49.7	-169.5	-171.7	-147.7	0.6	110.9	E154 F171 E175 F176	E154-R173 VanDerWaalsContact CD-NE 3.3Å; E154-R173 IonicContact OE1-CZ 2.76Å; E154-R173 IonicContact OE1-NE 3.8Å; E154-R173 PolarHBondContact OE1-NE 2.89Å; E154-R173 IonicContact OE1-NH2 2.64Å; E154-R173 IonicContact OE2-CZ 2.75Å; E154-R173 IonicContact OE2-NE 3.68Å; E154-R173 PolarHBondContact OE2-NE 3.07Å; E154-R173 IonicContact OE2-NH1 3.01Å; E154-R173 IonicContact OE2-NH2 3.38Å; E154-R173 PolarHBondContact OE2-NH2 3.3Å; F171-R173 PolarHBondContact O-N 3.06Å; F171-R173 VanDerWaalsContact O-N 3.09Å; R173-E175 HydrophobicContact CB-CG 4.26Å; R173-E175 PolarHBondContact O-N 3.14Å; R173-F176 HydrophobicContact CB-CD2 3.89Å; R173-F176 HydrophobicContact CB-CE2 4.26Å; R173-F176 HydrophobicContact CG-CD2 4.39Å; R173-F176 HydrophobicContact CG-CE2 4.47Å; R173-F176 PolarHBondContact O-N 2.96Å
174	P	86.1	Confident	93.4	Very high	121 Å²	121	46.5 Å²	46.5	79%	0.786	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-21.3	-176.4	-24.4	34	0	0	0	115.8	F176	P174-F176 VanDerWaalsContact C-N 3.26Å
175	E	87.9	Confident	93.4	Very high	57 Å²	57	50.1 Å²	50.1	27%	0.266	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.7	177.1	66	-121.9	-128.7	0	0	114.2	R158 R173 H292 E293	R158-E175 IonicContact CZ-OE1 2.89Å; R158-E175 IonicContact NE-OE1 3.04Å; R158-E175 IonicContact NH2-OE1 3.95Å; R158-E175 PolarHBondContact NH2-OE1 3.44Å; R173-E175 HydrophobicContact CB-CG 4.26Å; R173-E175 PolarHBondContact O-N 3.14Å; E175-H292 PolarHBondContact O-CD2 3.31Å; E175-E293 PolarHBondContact O-N 3.45Å
176	F	93.5	Very high	93.4	Very high	12 Å²	12	50.1 Å²	50.1	5%	0.053	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	143.2	177.8	-57.4	-68.1	0	0	0	110.8	E154 L157 F171 R173 P174 W291 H292	E154-F176 HydrophobicContact CB-CE2 4.06Å; E154-F176 HydrophobicContact CB-CZ 3.74Å; E154-F176 HydrophobicContact CG-CE2 3.83Å; E154-F176 HydrophobicContact CG-CZ 3.98Å; L157-F176 HydrophobicContact CB-CD1 4.24Å; L157-F176 HydrophobicContact CB-CE1 3.61Å; L157-F176 HydrophobicContact CD1-CD1 4.06Å; L157-F176 HydrophobicContact CD1-CE1 4.01Å; L157-F176 HydrophobicContact CG-CE1 4.49Å; F171-F176 HydrophobicContact CB-CB 3.81Å; F171-F176 HydrophobicContact CB-CD2 4.05Å; F171-F176 HydrophobicContact CB-CG 4.05Å; R173-F176 HydrophobicContact CB-CD2 3.89Å; R173-F176 HydrophobicContact CB-CE2 4.26Å; R173-F176 HydrophobicContact CG-CD2 4.39Å; R173-F176 HydrophobicContact CG-CE2 4.47Å; R173-F176 PolarHBondContact O-N 2.96Å; P174-F176 VanDerWaalsContact C-N 3.26Å; F176-W291 CarbonylContact C-O 3.52Å; F176-W291 VanDerWaalsContact CA-O 3.26Å; F176-W291 WeakPolarHBondContact CA-O 3.19Å; F176-H292 HydrophobicContact CD1-CB 4.05Å; F176-H292 HydrophobicContact CE1-CB 4.08Å; F176-H292 AromaticContact CE1-CD2 3.66Å
177	T	94.5	Very high	93.4	Very high	32 Å²	32	50 Å²	50	20%	0.196	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.3	169.2	-38.9	0	0	0	0	107.7	S290 W291 E293	T177-S290 CarbonylContact O-C 3.6Å; T177-S290 WeakPolarHBondContact O-CA 3.49Å; T177-W291 HydrophobicContact CG2-CH2 3.81Å; T177-W291 HydrophobicContact CG2-CZ2 3.5Å; T177-W291 VanDerWaalsContact CG2-CZ2 3.5Å; T177-W291 HydrophobicContact CG2-CZ3 4.48Å; T177-W291 PolarHBondContact N-O 3.27Å; T177-W291 PolarHBondContact O-N 2.59Å; T177-E293 PolarHBondContact OG1-OE1 2.93Å
178	S	96	Very high	93.5	Very high	29 Å²	29	50 Å²	50	20%	0.203	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.8	172	-64.8	0	0	0	0	109.8	D170 F171 L289 S290	D170-S178 WeakPolarHBondContact OD1-CB 3.5Å; D170-S178 PolarHBondContact OD1-OG 3.47Å; F171-S178 PolarHBondContact N-OG 3.06Å; S178-L289 CarbonylContact C-O 3.56Å; S178-L289 WeakPolarHBondContact CA-O 3.48Å; S178-S290 PolarHBondContact OG-OG 3.5Å
179	V	95.5	Very high	93.7	Very high	41 Å²	41	49 Å²	49	25%	0.248	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.1	175.5	175.8	0	0	0	0	109.5	L181 Y288 L289 W291	V179-L181 PolarHBondContact O-N 3.33Å; V179-Y288 CarbonylContact O-C 3.52Å; V179-Y288 WeakPolarHBondContact O-CA 3.48Å; V179-L289 PolarHBondContact N-O 2.83Å; V179-L289 PolarHBondContact O-N 3.2Å; V179-W291 HydrophobicContact CB-CH2 4.45Å; V179-W291 HydrophobicContact CB-CZ3 4.34Å; V179-W291 HydrophobicContact CG2-CH2 3.54Å; V179-W291 HydrophobicContact CG2-CZ3 3.88Å
180	P	96.7	Very high	94	Very high	74 Å²	74	45.5 Å²	45.5	48%	0.481	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126.5	175.3	28.9	-33.9	0	0	0	110.4	T286 Y288	P180-T286 HydrophobicContact CB-CG2 3.76Å; P180-Y288 HydrophobicContact CB-CD1 4.22Å; P180-Y288 HydrophobicContact CB-CE1 4.08Å
181	L	97.2	Very high	94.4	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-51.1	178.6	-63.7	173.6	0	0	0	111.4	I166 V179 C287 L289 V309 C312 K313	I166-L181 HydrophobicContact CG2-CD1 3.97Å; V179-L181 PolarHBondContact O-N 3.33Å; L181-C287 PolarHBondContact N-O 3.4Å; L181-L289 HydrophobicContact CD1-CB 3.98Å; L181-L289 HydrophobicContact CD2-CB 3.96Å; L181-L289 HydrophobicContact CG-CB 4.01Å; L181-V309 HydrophobicContact CD2-CG2 4.23Å; L181-C312 HydrophobicContact CD1-CB 3.74Å; L181-C312 HydrophobicContact CD2-CB 4.21Å; L181-C312 HydrophobicContact CG-CB 4.39Å; L181-K313 WeakPolarHBondContact O-CA 3.45Å; L181-K313 WeakPolarHBondContact O-CG 3.22Å
182	F	96.3	Very high	94.7	Very high	17 Å²	17	48.3 Å²	48.3	8%	0.075	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	171	179.9	55	-87.9	0	0	0	110.7	L122 L126 D184 T286 C287 C312 R314	L122-F182 HydrophobicContact CD2-CE2 4.14Å; L122-F182 HydrophobicContact CD2-CZ 3.73Å; L126-F182 HydrophobicContact CD1-CE1 4.2Å; L126-F182 HydrophobicContact CD1-CZ 4.23Å; L126-F182 HydrophobicContact CD2-CE1 4.45Å; F182-D184 WeakPolarHBondContact CD2-OD1 3.41Å; F182-D184 VanDerWaalsContact CE2-OD1 3.3Å; F182-D184 WeakPolarHBondContact CE2-OD1 3.37Å; F182-D184 WeakPolarHBondContact CE2-OD2 3.27Å; F182-T286 WeakPolarHBondContact O-CA 3.43Å; F182-C287 HydrophobicContact CD1-CB 4.13Å; F182-C287 HydrophobicContact CD2-CB 4.05Å; F182-C287 HydrophobicContact CE1-CB 3.83Å; F182-C287 HydrophobicContact CE2-CB 3.73Å; F182-C287 HydrophobicContact CG-CB 4.25Å; F182-C287 HydrophobicContact CZ-CB 3.62Å; F182-C287 PolarHBondContact O-N 3.11Å; F182-C312 WeakPolarHBondContact CD1-O 3.33Å; F182-C312 WeakPolarHBondContact CE1-O 3.44Å; F182-R314 HydrophobicContact CB-CB 3.92Å; F182-R314 HydrophobicContact CD1-CG 4.5Å; F182-R314 HydrophobicContact CG-CB 4.34Å
183	K	95.8	Very high	95.1	Very high	144 Å²	144	46.6 Å²	46.6	63%	0.626	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.5	177.5	-174.5	176.2	178.4	180	0	109.7	S284 R285	K183-S284 WeakPolarHBondContact CE-OG 3.35Å; K183-S284 PolarHBondContact NZ-OG 2.91Å; K183-R285 CarbonylContact C-O 3.5Å
184	D	95.5	Very high	95.5	Very high	13 Å²	13	41 Å²	41	7%	0.07	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	134.1	176.2	-85.9	-22.1	0	0	0	111.3	Y168 F182 M186 W262 S284 R285	Y168-D184 HydrophobicContact CE1-CB 4.06Å; Y168-D184 WeakPolarHBondContact CE1-OD2 3.41Å; Y168-D184 PolarHBondContact OH-OD2 2.94Å; F182-D184 WeakPolarHBondContact CD2-OD1 3.41Å; F182-D184 VanDerWaalsContact CE2-OD1 3.3Å; F182-D184 WeakPolarHBondContact CE2-OD1 3.37Å; F182-D184 WeakPolarHBondContact CE2-OD2 3.27Å; D184-M186 HydrophobicContact CB-CE 3.48Å; D184-M186 VanDerWaalsContact CB-CE 3.48Å; D184-W262 PolarHBondContact OD2-NE1 2.91Å; D184-S284 CarbonylContact O-C 3.5Å; D184-S284 WeakPolarHBondContact O-CA 3.28Å; D184-S284 WeakPolarHBondContact O-CB 3.36Å; D184-R285 PolarHBondContact N-O 3.31Å; D184-R285 PolarHBondContact O-N 3.08Å
185	E	97	Very high	95.9	Very high	78 Å²	78	38.8 Å²	38.8	36%	0.364	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	139.9	165.9	-169.8	-171.9	162.6	0	0	110.4	P260 R261	E185-P260 WeakPolarHBondContact O-CA 3.49Å; E185-R261 HydrophobicContact CB-CB 4.35Å; E185-R261 PolarHBondContact O-N 3.41Å; E185-R261 IonicContact OE1-CZ 3.87Å; E185-R261 IonicContact OE1-NE 3.91Å; E185-R261 PolarHBondContact OE1-NE 3.2Å; E185-R261 IonicContact OE1-NH2 3.79Å; E185-R261 PolarHBondContact OE1-NH2 2.89Å; E185-R261 IonicContact OE2-CZ 3.47Å; E185-R261 IonicContact OE2-NE 2.85Å; E185-R261 PolarHBondContact OE2-NE 2.93Å; E185-R261 IonicContact OE2-NH2 3.78Å
186	M	97.5	Very high	95.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.2	179.5	-56	-65.3	165.2	0	0	109.1	Y168 D184 F222 W226 I258 A259 P260 L278 N283 R285	Y168-M186 HydrophobicContact CE1-CE 4.09Å; D184-M186 HydrophobicContact CB-CE 3.48Å; D184-M186 VanDerWaalsContact CB-CE 3.48Å; M186-F222 HydrophobicContact CE-CE2 3.72Å; M186-F222 HydrophobicContact CE-CZ 3.93Å; M186-F222 HydrophobicContact SD-CE2 3.92Å; M186-F222 HydrophobicContact SD-CZ 3.47Å; M186-F222 WeakPolarHBondContact SD-CZ 3.41Å; M186-W226 HydrophobicContact CB-CH2 4.08Å; M186-W226 HydrophobicContact CB-CZ2 3.66Å; M186-W226 HydrophobicContact CG-CH2 3.52Å; M186-W226 HydrophobicContact CG-CZ2 3.45Å; M186-W226 VanDerWaalsContact CG-CZ2 3.45Å; M186-W226 HydrophobicContact SD-CH2 3.87Å; M186-W226 HydrophobicContact SD-CZ2 4.38Å; M186-I258 HydrophobicContact CB-CG2 4.23Å; M186-A259 WeakPolarHBondContact CA-O 3.22Å; M186-P260 HydrophobicContact CE-CB 4.31Å; M186-P260 HydrophobicContact CE-CG 4.22Å; M186-P260 VanDerWaalsContact SD-CA 3.58Å; M186-P260 HydrophobicContact SD-CB 4.13Å; M186-P260 HydrophobicContact SD-CG 4.07Å; M186-L278 HydrophobicContact CB-CD2 4.18Å; M186-L278 VanDerWaalsContact O-CB 3.28Å; M186-L278 WeakPolarHBondContact O-CB 3.41Å; M186-N283 PolarHBondContact N-O 2.95Å; M186-R285 HydrophobicContact CE-CB 3.71Å; M186-R285 HydrophobicContact CE-CG 3.85Å
187	V	97.6	Very high	95.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	159.3	-172	-68.8	0	0	0	0	110.1	V189 I258 A259 R261 A264 V275 L276	V187-V189 HydrophobicContact CG2-CG2 4.05Å; V187-I258 WeakPolarHBondContact O-CA 3.44Å; V187-A259 WeakPolarHBondContact CG2-O 3.37Å; V187-A259 PolarHBondContact N-O 3.05Å; V187-A259 PolarHBondContact O-N 3.35Å; V187-A259 VanDerWaalsContact O-N 3.15Å; V187-R261 HydrophobicContact CG1-CB 3.86Å; V187-R261 HydrophobicContact CG1-CG 4.24Å; V187-R261 HydrophobicContact CG2-CB 4.36Å; V187-A264 HydrophobicContact CG2-CB 3.83Å; V187-V275 HydrophobicContact CB-CG1 3.79Å; V187-V275 HydrophobicContact CG1-CG1 3.97Å; V187-V275 HydrophobicContact CG2-CG1 3.65Å; V187-L276 WeakPolarHBondContact CB-O 3.46Å
188	L	97.8	Very high	95.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	132.8	166.6	-167.4	76.2	0	0	0	108.8	L201 V206 V256 A257 I258 L276 L278	L188-L201 HydrophobicContact CD2-CD1 3.26Å; L188-V206 HydrophobicContact CD1-CG1 4.14Å; L188-V256 HydrophobicContact CD1-CB 4.06Å; L188-V256 HydrophobicContact CD1-CG2 4.08Å; L188-V256 HydrophobicContact CG-CB 4.38Å; L188-A257 WeakPolarHBondContact CA-O 3.33Å; L188-I258 HydrophobicContact CD1-CG1 4.15Å; L188-L276 HydrophobicContact CB-CB 4.4Å; L188-L276 PolarHBondContact N-O 2.98Å; L188-L276 PolarHBondContact O-N 3.2Å; L188-L278 HydrophobicContact CB-CD1 4.28Å; L188-L278 HydrophobicContact CD1-CD1 4.39Å
189	V	98	Very high	94.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.2	179.7	-169.5	0	0	0	0	109.2	V187 L247 V250 V256 A257 A259 A264 L273	V187-V189 HydrophobicContact CG2-CG2 4.05Å; V189-L247 HydrophobicContact CB-CD2 4.12Å; V189-L247 HydrophobicContact CG1-CD2 3.89Å; V189-L247 HydrophobicContact CG2-CD2 4.2Å; V189-V250 HydrophobicContact CG1-CG1 4.47Å; V189-V256 CarbonylContact O-C 3.49Å; V189-V256 VanDerWaalsContact O-CA 3.31Å; V189-V256 WeakPolarHBondContact O-CA 3.29Å; V189-A257 PolarHBondContact N-O 3.43Å; V189-A257 PolarHBondContact O-N 3.14Å; V189-A259 HydrophobicContact CG2-CB 4.01Å; V189-A264 HydrophobicContact CG2-CB 3.56Å; V189-L273 HydrophobicContact CG1-CB 3.9Å; V189-L273 HydrophobicContact CG1-CD1 3.87Å; V189-L273 HydrophobicContact CG1-CD2 4.03Å; V189-L273 HydrophobicContact CG1-CG 4.15Å
190	A	97.9	Very high	93.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	162.8	176	0	0	0	0	0	109.7	H194 I197 V256 L273 Q274	A190-H194 HydrophobicContact CB-CB 4.2Å; A190-I197 HydrophobicContact CB-CB 4.33Å; A190-I197 HydrophobicContact CB-CG2 3.83Å; A190-V256 HydrophobicContact CB-CG1 4.1Å; A190-L273 CarbonylContact O-C 3.56Å; A190-L273 WeakPolarHBondContact O-CA 3.36Å; A190-Q274 HydrophobicContact CB-CG 3.96Å; A190-Q274 PolarHBondContact N-O 3.15Å; A190-Q274 WeakPolarHBondContact O-CG 3.37Å; A190-Q274 PolarHBondContact O-N 2.83Å
191	S	97.9	Very high	93.6	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	144.7	166.1	-179.5	0	0	0	0	110.7	N193 H194 S251 Q274	S191-N193 PolarHBondContact O-N 3.19Å; S191-N193 VanDerWaalsContact O-N 3.17Å; S191-N193 PolarHBondContact OG-N 3.35Å; S191-H194 VanDerWaalsContact O-CB 3.24Å; S191-H194 WeakPolarHBondContact O-CB 3.36Å; S191-H194 PolarHBondContact O-N 2.96Å; S191-S251 PolarHBondContact OG-O 3.34Å; S191-Q274 PolarHBondContact O-NE2 2.84Å
192	K	96.6	Very high	93.2	Very high	108 Å²	108	53.2 Å²	53.2	47%	0.47	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.7	169.5	-77.1	173.8	-172.8	173.1	0	112.2	H194 E272 L273 Q274	K192-H194 VanDerWaalsContact C-N 3.32Å; K192-E272 VanDerWaalsContact CB-O 3.31Å; K192-E272 WeakPolarHBondContact CB-O 3.37Å; K192-E272 HydrophobicContact CD-CB 4.18Å; K192-E272 VanDerWaalsContact CG-O 3.22Å; K192-E272 WeakPolarHBondContact CG-O 3.15Å; K192-E272 PolarHBondContact N-O 2.99Å; K192-L273 VanDerWaalsContact CE-O 3.25Å; K192-L273 WeakPolarHBondContact CE-O 3.45Å; K192-Q274 HydrophobicContact CG-CB 4.34Å
193	N	94.6	Very high	92.8	Very high	118 Å²	118	58.7 Å²	58.7	63%	0.631	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	12.9	178.5	-62.7	-39.8	0	0	0	113.3	S191	S191-N193 PolarHBondContact O-N 3.19Å; S191-N193 VanDerWaalsContact O-N 3.17Å; S191-N193 PolarHBondContact OG-N 3.35Å
194	H	96	Very high	92.4	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.019	30%	0.3	C	S	.	.			trans	-64.4	131.2	178.1	-161.1	-63.4	0	0	0	111.1	A190 S191 K192 T196 I197 E209 H254	A190-H194 HydrophobicContact CB-CB 4.2Å; S191-H194 VanDerWaalsContact O-CB 3.24Å; S191-H194 WeakPolarHBondContact O-CB 3.36Å; S191-H194 PolarHBondContact O-N 2.96Å; K192-H194 VanDerWaalsContact C-N 3.32Å; H194-T196 PolarHBondContact CE1-OG1 3.09Å; H194-T196 PolarHBondContact ND1-N 2.91Å; H194-T196 PolarHBondContact ND1-OG1 3.36Å; H194-T196 PolarHBondContact O-N 2.89Å; H194-I197 HydrophobicContact CB-CB 4.17Å; H194-I197 VanDerWaalsContact CE1-CG1 3.43Å; H194-I197 WeakPolarHBondContact CE1-CG1 3.17Å; H194-I197 PolarHBondContact ND1-N 3.01Å; H194-E209 IonicContact CE1-OE1 2.7Å; H194-E209 IonicContact CE1-OE2 3.79Å; H194-E209 PolarHBondContact CE1-OE2 3.18Å; H194-E209 IonicContact NE2-OE2 3.66Å; H194-H254 PolarHBondContact NE2-O 2.99Å
195	P	93.1	Very high	92.1	Very high	76 Å²	76	58.2 Å²	58.2	49%	0.494	31%	0.309	S	S	.	.	S	Bend	trans	-66.3	-42.4	-171.6	21.8	-33.7	0	0	0	114.1	H254	P195-H254 WeakPolarHBondContact CD-ND1 3.33Å
196	T	89.5	Confident	92	Very high	86 Å²	86	54.5 Å²	54.5	53%	0.528	29%	0.291	S	S	.	.	S	Bend	trans	-103.5	-35.4	-170.9	48	0	0	0	0	114	H194 K198 E209	H194-T196 PolarHBondContact CE1-OG1 3.09Å; H194-T196 PolarHBondContact ND1-N 2.91Å; H194-T196 PolarHBondContact ND1-OG1 3.36Å; H194-T196 PolarHBondContact O-N 2.89Å; T196-K198 PolarHBondContact O-N 2.86Å; T196-E209 WeakPolarHBondContact CB-OE1 3.39Å; T196-E209 PolarHBondContact OG1-OE1 3.04Å
197	I	92.1	Very high	91.8	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.015	30%	0.3	C	S	.	.			trans	-78.7	102.4	-175.6	-63.3	-64.9	0	0	0	110.7	A190 H194 L201 E209 V256 Q274 L276	A190-I197 HydrophobicContact CB-CB 4.33Å; A190-I197 HydrophobicContact CB-CG2 3.83Å; H194-I197 HydrophobicContact CB-CB 4.17Å; H194-I197 VanDerWaalsContact CE1-CG1 3.43Å; H194-I197 WeakPolarHBondContact CE1-CG1 3.17Å; H194-I197 PolarHBondContact ND1-N 3.01Å; I197-L201 HydrophobicContact CD1-CD1 3.96Å; I197-L201 HydrophobicContact CD1-CD2 3.78Å; I197-L201 HydrophobicContact CG2-CD1 4.29Å; I197-E209 HydrophobicContact CD1-CG 3.82Å; I197-E209 HydrophobicContact CG1-CG 4.01Å; I197-V256 HydrophobicContact CG1-CG1 4.13Å; I197-Q274 PolarHBondContact O-NE2 3.37Å; I197-Q274 PolarHBondContact O-OE1 3.49Å; I197-L276 HydrophobicContact CG2-CD1 3.18Å
198	K	83.3	Confident	91.6	Very high	160 Å²	160	62.5 Å²	62.5	70%	0.696	33%	0.331	S	S	*	.			trans	-133.5	-7.1	178.5	-63.7	-175.8	-178.8	177.9	0	114.9	T196	T196-K198 PolarHBondContact O-N 2.86Å
199	G	78.6	Confident	91.5	Very high	34 Å²	34	64.5 Å²	64.5	35%	0.351	34%	0.34	S	S	.	.	S	Bend	trans	70.3	162.3	-178.5	0	0	0	0	0	114.8
200	P	83.6	Confident	91.5	Very high	136 Å²	136	70.1 Å²	70.1	88%	0.883	37%	0.366	S	S	*	.			cis	-66.6	148.8	-16.3	30.5	-34.4	0	0	0	111.3
201	L	88.9	Confident	91.5	Very high	28 Å²	28	70.1 Å²	70.1	15%	0.147	37%	0.366	C	S	.	.			trans	-104.9	146.5	-177.2	-61	175.3	0	0	0	111.2	L188 I197 D205 L276 P279	L188-L201 HydrophobicContact CD2-CD1 3.26Å; I197-L201 HydrophobicContact CD1-CD1 3.96Å; I197-L201 HydrophobicContact CD1-CD2 3.78Å; I197-L201 HydrophobicContact CG2-CD1 4.29Å; L201-D205 HydrophobicContact CB-CB 4.3Å; L201-D205 HydrophobicContact CD2-CB 4.05Å; L201-L276 HydrophobicContact CD1-CD1 4.08Å; L201-P279 HydrophobicContact CB-CG 4.09Å; L201-P279 VanDerWaalsContact O-CB 3.3Å; L201-P279 WeakPolarHBondContact O-CB 3.36Å
202	L	90.1	Very high	91.5	Very high	106 Å²	106	69.9 Å²	69.9	56%	0.555	37%	0.365	S	S	*	.			trans	-92.5	163.8	165.8	-62.1	173.8	0	0	0	110.1	H204 D205	L202-H204 WeakPolarHBondContact CB-NE2 3.21Å; L202-H204 WeakPolarHBondContact CD1-NE2 3.08Å; L202-H204 PolarHBondContact O-N 3.46Å; L202-D205 WeakPolarHBondContact CA-OD2 3.22Å; L202-D205 WeakPolarHBondContact CB-OD2 3.28Å; L202-D205 PolarHBondContact N-OD2 3.23Å; L202-D205 WeakPolarHBondContact O-CB 3.5Å; L202-D205 PolarHBondContact O-N 2.87Å
203	K	88.3	Confident	91.6	Very high	133 Å²	133	64.8 Å²	64.8	58%	0.578	34%	0.343	S	S	*	.	H	α-helix	trans	-54.3	-38	179.7	171.8	172.4	179.5	-166	0	113.3	D205 L280	K203-D205 VanDerWaalsContact C-N 3.33Å; K203-L280 HydrophobicContact CB-CD2 4.28Å; K203-L280 HydrophobicContact CD-CD2 4.13Å; K203-L280 HydrophobicContact CG-CD2 3.64Å
204	H	86.8	Confident	91.6	Very high	101 Å²	101	59.2 Å²	59.2	47%	0.468	31%	0.313	S	S	.	.	H	α-helix	trans	-72	-29.5	-179.6	58.9	81.9	0	0	0	112.3	L202 V206 Y207 N208	L202-H204 WeakPolarHBondContact CB-NE2 3.21Å; L202-H204 WeakPolarHBondContact CD1-NE2 3.08Å; L202-H204 PolarHBondContact O-N 3.46Å; H204-V206 PolarHBondContact O-N 3.09Å; H204-Y207 PolarHBondContact O-N 3.33Å; H204-N208 WeakPolarHBondContact O-CB 3.43Å; H204-N208 PolarHBondContact O-N 3.09Å; H204-N208 PolarHBondContact O-ND2 3.16Å; H204-N208 PolarHBondContact O-OD1 2.99Å
205	D	89.4	Confident	91.5	Very high	45 Å²	45	59.7 Å²	59.7	24%	0.241	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-29.6	178.9	-57.1	-36.2	0	0	0	111.6	L201 L202 K203	L201-D205 HydrophobicContact CB-CB 4.3Å; L201-D205 HydrophobicContact CD2-CB 4.05Å; L202-D205 WeakPolarHBondContact CA-OD2 3.22Å; L202-D205 WeakPolarHBondContact CB-OD2 3.28Å; L202-D205 PolarHBondContact N-OD2 3.23Å; L202-D205 WeakPolarHBondContact O-CB 3.5Å; L202-D205 PolarHBondContact O-N 2.87Å; K203-D205 VanDerWaalsContact C-N 3.33Å
206	V	93.3	Very high	91.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-59.5	177.3	178.4	0	0	0	0	110.8	L188 H204 N208 E209 H211 L278 P279	L188-V206 HydrophobicContact CD1-CG1 4.14Å; H204-V206 PolarHBondContact O-N 3.09Å; V206-N208 VanDerWaalsContact C-N 3.31Å; V206-N208 PolarHBondContact O-N 2.87Å; V206-E209 PolarHBondContact O-N 3.09Å; V206-H211 PolarHBondContact O-NE2 3.03Å; V206-L278 HydrophobicContact CG1-CD1 4.47Å; V206-L278 HydrophobicContact CG2-CD1 4.4Å; V206-P279 HydrophobicContact CG2-CG 3.64Å
207	Y	94.9	Very high	91.2	Very high	46 Å²	46	60.4 Å²	60.4	18%	0.18	31%	0.313	C	S	.	.	H	α-helix	trans	-84.6	-0.3	-172.7	-61.7	-75.5	0	0	0	114.4	H204 E209 W226 K232 L280	H204-Y207 PolarHBondContact O-N 3.33Å; Y207-E209 VanDerWaalsContact C-N 3.33Å; Y207-W226 WeakPolarHBondContact CE1-O 3.38Å; Y207-W226 PolarHBondContact OH-O 3.43Å; Y207-K232 HydrophobicContact CD1-CB 4.1Å; Y207-K232 HydrophobicContact CD1-CG 3.88Å; Y207-K232 HydrophobicContact CE1-CB 3.84Å; Y207-K232 HydrophobicContact CE1-CD 3.83Å; Y207-K232 HydrophobicContact CE1-CG 3.6Å; Y207-K232 HydrophobicContact CE2-CD 4.42Å; Y207-K232 HydrophobicContact CE2-CG 4.45Å; Y207-K232 HydrophobicContact CG-CG 4.4Å; Y207-L280 HydrophobicContact CE2-CD1 4.21Å; Y207-L280 HydrophobicContact CE2-CD2 4.03Å; Y207-L280 WeakPolarHBondContact OH-CD1 3.42Å
208	N	93.5	Very high	90.9	Very high	123 Å²	123	62.1 Å²	62.1	66%	0.658	32%	0.32	S	S	*	.	H	α-helix	trans	-79.5	-20.3	170.1	-76.3	-13.5	0	0	0	112.1	H204 V206	H204-N208 WeakPolarHBondContact O-CB 3.43Å; H204-N208 PolarHBondContact O-N 3.09Å; H204-N208 PolarHBondContact O-ND2 3.16Å; H204-N208 PolarHBondContact O-OD1 2.99Å; V206-N208 VanDerWaalsContact C-N 3.31Å; V206-N208 PolarHBondContact O-N 2.87Å
209	E	95.3	Very high	90.9	Very high	42 Å²	42	58.5 Å²	58.5	20%	0.196	30%	0.304	C	S	.	.	S	Bend	trans	-84.9	164.8	173.1	-62.5	-59.5	164.7	0	0	111.1	H194 T196 I197 V206 Y207 H211 V256	H194-E209 IonicContact CE1-OE1 2.7Å; H194-E209 IonicContact CE1-OE2 3.79Å; H194-E209 PolarHBondContact CE1-OE2 3.18Å; H194-E209 IonicContact NE2-OE2 3.66Å; T196-E209 WeakPolarHBondContact CB-OE1 3.39Å; T196-E209 PolarHBondContact OG1-OE1 3.04Å; I197-E209 HydrophobicContact CD1-CG 3.82Å; I197-E209 HydrophobicContact CG1-CG 4.01Å; V206-E209 PolarHBondContact O-N 3.09Å; Y207-E209 VanDerWaalsContact C-N 3.33Å; E209-H211 PolarHBondContact O-CD2 2.84Å; E209-H211 VanDerWaalsContact O-CD2 3.27Å; E209-V256 HydrophobicContact CB-CG1 4.12Å; E209-V256 HydrophobicContact CB-CG2 3.93Å; E209-V256 HydrophobicContact CG-CG1 4.29Å
210	Q	97.2	Very high	91.3	Very high	117 Å²	117	58.6 Å²	58.6	55%	0.547	30%	0.302	S	S	.	.			trans	-86.8	141.1	169.8	-70.5	-165.7	-35	0	0	110.7	S235 A237 L255 V256	Q210-S235 CarbonylContact C-O 3.45Å; Q210-S235 WeakPolarHBondContact CA-O 3.5Å; Q210-A237 HydrophobicContact CB-CB 4.02Å; Q210-A237 HydrophobicContact CG-CB 4.47Å; Q210-L255 HydrophobicContact CB-CD2 3.37Å; Q210-L255 CarbonylContact O-C 3.53Å; Q210-L255 VanDerWaalsContact O-CA 3.22Å; Q210-L255 WeakPolarHBondContact O-CA 3.4Å; Q210-V256 PolarHBondContact O-N 3.19Å
211	H	98.3	Very high	91.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.8	-171.6	-75.1	-119.1	0	0	0	112.9	V206 E209 Y227 S235 I236 A237 Y238 V256	V206-H211 PolarHBondContact O-NE2 3.03Å; E209-H211 PolarHBondContact O-CD2 2.84Å; E209-H211 VanDerWaalsContact O-CD2 3.27Å; H211-Y227 HydrophobicContact CB-CE1 3.95Å; H211-Y227 WeakPolarHBondContact CB-OH 3.43Å; H211-Y227 AromaticContact CG-CE1 3.85Å; H211-Y227 AromaticContact ND1-CE1 3.6Å; H211-Y227 AromaticContact ND1-CZ 3.58Å; H211-Y227 PolarHBondContact ND1-OH 2.93Å; H211-S235 PolarHBondContact CD2-OG 2.87Å; H211-S235 PolarHBondContact N-O 2.91Å; H211-I236 HydrophobicContact CB-CG1 4.45Å; H211-A237 PolarHBondContact O-N 2.88Å; H211-Y238 PolarHBondContact O-N 3.31Å; H211-V256 CarbonylContact C-O 3.12Å; H211-V256 VanDerWaalsContact CA-O 3.28Å; H211-V256 WeakPolarHBondContact CA-O 3.37Å
212	A	98.2	Very high	91.6	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.5	159.4	0	0	0	0	0	108.2	Y238 V246 V250 L255 V256 A257	A212-Y238 WeakPolarHBondContact CA-O 3.39Å; A212-Y238 HydrophobicContact CB-CD1 3.92Å; A212-V246 HydrophobicContact CB-CG1 3.82Å; A212-V246 WeakPolarHBondContact O-CG1 3.49Å; A212-V250 HydrophobicContact CB-CG2 3.73Å; A212-L255 HydrophobicContact CB-CB 4.16Å; A212-L255 HydrophobicContact CB-CD1 4.02Å; A212-V256 PolarHBondContact N-O 2.84Å; A212-A257 WeakPolarHBondContact O-CB 3.38Å
213	A	97.8	Very high	91.7	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	158.6	-175.5	0	0	0	0	0	112	Y227 I236 Y238 Q239 G240 V246	A213-Y227 HydrophobicContact CB-CD2 4.24Å; A213-Y227 HydrophobicContact CB-CE2 3.57Å; A213-I236 HydrophobicContact CB-CD1 4.27Å; A213-I236 HydrophobicContact CB-CG1 4.48Å; A213-I236 HydrophobicContact CB-CG2 4.27Å; A213-Y238 PolarHBondContact N-O 3.05Å; A213-Q239 WeakPolarHBondContact O-CA 3.49Å; A213-G240 PolarHBondContact O-N 2.65Å; A213-V246 WeakPolarHBondContact O-CG2 2.98Å
214	V	95.5	Very high	92	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.3	163.5	174.7	0	0	0	0	107.8	L216 S221 S223 G240 M243 V246	V214-L216 PolarHBondContact O-N 2.8Å; V214-S221 PolarHBondContact O-OG 2.63Å; V214-S223 PolarHBondContact N-OG 3.37Å; V214-S223 VanDerWaalsContact N-OG 3.11Å; V214-G240 CarbonylContact C-O 3.53Å; V214-G240 VanDerWaalsContact CA-O 3.29Å; V214-G240 WeakPolarHBondContact CA-O 3.39Å; V214-M243 HydrophobicContact CG2-CB 4.28Å; V214-M243 HydrophobicContact CG2-CE 3.64Å; V214-M243 HydrophobicContact CG2-SD 4.27Å; V214-V246 HydrophobicContact CG2-CG2 4.24Å
215	S	92.8	Very high	92.4	Very high	14 Å²	14	40.7 Å²	40.7	10%	0.098	21%	0.209	C	C	.	.			trans	-46.8	130.7	-174	173.7	0	0	0	0	112.2	D217 R218 S221 G240	S215-D217 VanDerWaalsContact C-N 3.3Å; S215-D217 PolarHBondContact OG-N 2.8Å; S215-R218 WeakPolarHBondContact O-CB 3.48Å; S215-R218 PolarHBondContact O-N 3.39Å; S215-S221 VanDerWaalsContact O-CB 3.24Å; S215-S221 WeakPolarHBondContact O-CB 3.49Å; S215-S221 PolarHBondContact O-OG 3.11Å; S215-G240 PolarHBondContact N-O 2.93Å
216	L	89.8	Confident	92.7	Very high	26 Å²	26	38.7 Å²	38.7	14%	0.136	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-21	179	-56.4	-173	0	0	0	112	V214 R218 Y227 Q233 I236	V214-L216 PolarHBondContact O-N 2.8Å; L216-R218 PolarHBondContact O-N 3.17Å; L216-Y227 HydrophobicContact CD2-CD2 4.19Å; L216-Q233 HydrophobicContact CD1-CG 3.77Å; L216-I236 HydrophobicContact CD1-CD1 3.71Å; L216-I236 HydrophobicContact CG-CD1 4.27Å
217	D	88.3	Confident	92.8	Very high	152 Å²	152	38.7 Å²	38.7	81%	0.813	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.3	174.9	-62.6	-31.7	0	0	0	112.4	S215 F219	S215-D217 VanDerWaalsContact C-N 3.3Å; S215-D217 PolarHBondContact OG-N 2.8Å; D217-F219 PolarHBondContact O-N 2.8Å
218	R	84.9	Confident	92.7	Very high	39 Å²	39	40.9 Å²	40.9	15%	0.147	21%	0.213	C	C	.	.	S	Bend	trans	-70.2	130.1	175.2	-171.9	176.9	174.9	-162.7	-5.5	109.6	S120 S147 S215 L216 A220 S221	S120-R218 PolarHBondContact O-NH1 2.97Å; S147-R218 PolarHBondContact O-NH2 2.86Å; S215-R218 WeakPolarHBondContact O-CB 3.48Å; S215-R218 PolarHBondContact O-N 3.39Å; L216-R218 PolarHBondContact O-N 3.17Å; R218-A220 PolarHBondContact O-N 3.45Å; R218-S221 WeakPolarHBondContact O-CB 3.29Å; R218-S221 PolarHBondContact O-N 3.5Å
219	F	84.1	Confident	92.8	Very high	84 Å²	84	37.8 Å²	37.8	37%	0.368	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	130.3	171.6	-172.3	-89.9	0	0	0	110.3	L149 Q151 D217 S221	L149-F219 HydrophobicContact CB-CD1 3.67Å; L149-F219 HydrophobicContact CB-CE1 4.25Å; Q151-F219 HydrophobicContact CG-CD2 3.92Å; Q151-F219 HydrophobicContact CG-CE2 4.33Å; D217-F219 PolarHBondContact O-N 2.8Å; F219-S221 VanDerWaalsContact C-N 3.29Å; F219-S221 PolarHBondContact O-N 2.98Å
220	A	85.6	Confident	92.7	Very high	36 Å²	36	41.2 Å²	41.2	30%	0.298	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	44.7	-173.5	0	0	0	0	0	113	L149 E169 R218 F222	L149-A220 HydrophobicContact CD1-CB 3.92Å; E169-A220 HydrophobicContact CB-CB 4.21Å; E169-A220 HydrophobicContact CG-CB 4.27Å; R218-A220 PolarHBondContact O-N 3.45Å; A220-F222 PolarHBondContact O-N 3.45Å
221	S	89.3	Confident	92.6	Very high	6 Å²	6	42.2 Å²	42.2	4%	0.042	23%	0.232	C	C	.	.			trans	-51.7	130.5	-179.7	179	0	0	0	0	111.6	V214 S215 R218 F219 S223 Q224 R285	V214-S221 PolarHBondContact O-OG 2.63Å; S215-S221 VanDerWaalsContact O-CB 3.24Å; S215-S221 WeakPolarHBondContact O-CB 3.49Å; S215-S221 PolarHBondContact O-OG 3.11Å; R218-S221 WeakPolarHBondContact O-CB 3.29Å; R218-S221 PolarHBondContact O-N 3.5Å; F219-S221 VanDerWaalsContact C-N 3.29Å; F219-S221 PolarHBondContact O-N 2.98Å; S221-S223 PolarHBondContact O-N 3.46Å; S221-S223 PolarHBondContact OG-N 2.81Å; S221-Q224 PolarHBondContact O-N 3.43Å; S221-R285 PolarHBondContact O-NH1 3.1Å
222	F	89.1	Confident	92.4	Very high	5 Å²	5	44.4 Å²	44.4	2%	0.022	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-41	176.1	169.7	-93.8	0	0	0	111.5	P121 Y168 M186 A220 P225 W226 M243 P260 R285	P121-F222 HydrophobicContact CG-CD2 4.21Å; P121-F222 HydrophobicContact CG-CE2 4.32Å; Y168-F222 AromaticContact CD2-CD2 3.6Å; Y168-F222 HydrophobicContact CD2-CD2 3.6Å; Y168-F222 HydrophobicContact CD2-CE2 4.01Å; Y168-F222 AromaticContact CE2-CD2 3.42Å; Y168-F222 HydrophobicContact CE2-CD2 3.42Å; Y168-F222 VanDerWaalsContact CE2-CD2 3.42Å; Y168-F222 AromaticContact CE2-CE2 3.5Å; Y168-F222 HydrophobicContact CE2-CE2 3.5Å; Y168-F222 AromaticContact CZ-CE2 3.97Å; M186-F222 HydrophobicContact CE-CE2 3.72Å; M186-F222 HydrophobicContact CE-CZ 3.93Å; M186-F222 HydrophobicContact SD-CE2 3.92Å; M186-F222 HydrophobicContact SD-CZ 3.47Å; M186-F222 WeakPolarHBondContact SD-CZ 3.41Å; A220-F222 PolarHBondContact O-N 3.45Å; F222-P225 WeakPolarHBondContact O-CD 3.41Å; F222-W226 HydrophobicContact CD1-CZ3 4.29Å; F222-W226 HydrophobicContact CE1-CH2 4.37Å; F222-W226 AromaticContact CE1-CZ3 3.8Å; F222-W226 HydrophobicContact CE1-CZ3 3.8Å; F222-W226 HydrophobicContact CE2-CZ3 4.5Å; F222-W226 HydrophobicContact CZ-CH2 4.06Å; F222-W226 AromaticContact CZ-CZ3 3.94Å; F222-W226 HydrophobicContact CZ-CZ3 3.94Å; F222-W226 VanDerWaalsContact O-CZ3 3.26Å; F222-W226 WeakPolarHBondContact O-CZ3 3.4Å; F222-M243 HydrophobicContact CD1-CE 3.26Å; F222-M243 HydrophobicContact CE1-CE 3.24Å; F222-M243 HydrophobicContact CG-CE 4.3Å; F222-M243 HydrophobicContact CZ-CE 4.25Å; F222-P260 HydrophobicContact CE2-CG 3.82Å; F222-P260 VanDerWaalsContact CZ-CD 3.48Å; F222-P260 HydrophobicContact CZ-CG 3.66Å; F222-R285 VanDerWaalsContact CA-NH1 3.34Å; F222-R285 PolarHBondContact O-NH1 2.96Å
223	S	94.1	Very high	92.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-16.6	-172.1	-69	0	0	0	0	114.1	V214 S221 P225 W226 Y227	V214-S223 PolarHBondContact N-OG 3.37Å; V214-S223 VanDerWaalsContact N-OG 3.11Å; S221-S223 PolarHBondContact O-N 3.46Å; S221-S223 PolarHBondContact OG-N 2.81Å; S223-P225 VanDerWaalsContact C-N 3.34Å; S223-P225 VanDerWaalsContact O-N 3.13Å; S223-W226 PolarHBondContact O-N 3.43Å; S223-W226 VanDerWaalsContact O-N 3.08Å; S223-Y227 VanDerWaalsContact O-CD2 3.3Å; S223-Y227 WeakPolarHBondContact O-CD2 3.42Å
224	Q	93.8	Very high	92.3	Very high	73 Å²	73	52 Å²	52	34%	0.341	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-48.1	-42.8	-173.7	-172.7	63	24.4	0	0	115	S221 W226 Y227 D228	S221-Q224 PolarHBondContact O-N 3.43Å; Q224-W226 PolarHBondContact O-N 3.29Å; Q224-W226 VanDerWaalsContact O-N 3.07Å; Q224-Y227 CarbonylContact O-C 3.53Å; Q224-Y227 PolarHBondContact O-N 2.97Å; Q224-Y227 VanDerWaalsContact O-N 3.09Å; Q224-D228 PolarHBondContact O-N 3.07Å
225	P	94.6	Very high	92.3	Very high	43 Å²	43	52.5 Å²	52.5	28%	0.279	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-61.1	-20.8	-177.2	-25.3	36.5	0	0	0	115.2	F222 S223 Q282	F222-P225 WeakPolarHBondContact O-CD 3.41Å; S223-P225 VanDerWaalsContact C-N 3.34Å; S223-P225 VanDerWaalsContact O-N 3.13Å; P225-Q282 HydrophobicContact CB-CG 4.44Å
226	W	95.8	Very high	92.5	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.008	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-99	-7.6	179.5	-60.7	-77.1	0	0	0	113.9	M186 Y207 F222 S223 Q224 K232 I258 Q282 R285	M186-W226 HydrophobicContact CB-CH2 4.08Å; M186-W226 HydrophobicContact CB-CZ2 3.66Å; M186-W226 HydrophobicContact CG-CH2 3.52Å; M186-W226 HydrophobicContact CG-CZ2 3.45Å; M186-W226 VanDerWaalsContact CG-CZ2 3.45Å; M186-W226 HydrophobicContact SD-CH2 3.87Å; M186-W226 HydrophobicContact SD-CZ2 4.38Å; Y207-W226 WeakPolarHBondContact CE1-O 3.38Å; Y207-W226 PolarHBondContact OH-O 3.43Å; F222-W226 HydrophobicContact CD1-CZ3 4.29Å; F222-W226 HydrophobicContact CE1-CH2 4.37Å; F222-W226 AromaticContact CE1-CZ3 3.8Å; F222-W226 HydrophobicContact CE1-CZ3 3.8Å; F222-W226 HydrophobicContact CE2-CZ3 4.5Å; F222-W226 HydrophobicContact CZ-CH2 4.06Å; F222-W226 AromaticContact CZ-CZ3 3.94Å; F222-W226 HydrophobicContact CZ-CZ3 3.94Å; F222-W226 VanDerWaalsContact O-CZ3 3.26Å; F222-W226 WeakPolarHBondContact O-CZ3 3.4Å; S223-W226 PolarHBondContact O-N 3.43Å; S223-W226 VanDerWaalsContact O-N 3.08Å; Q224-W226 PolarHBondContact O-N 3.29Å; Q224-W226 VanDerWaalsContact O-N 3.07Å; W226-K232 WeakPolarHBondContact O-CD 3.46Å; W226-I258 HydrophobicContact CB-CD1 3.56Å; W226-I258 HydrophobicContact CD2-CB 4.38Å; W226-I258 HydrophobicContact CD2-CD1 4.19Å; W226-I258 HydrophobicContact CD2-CG2 3.66Å; W226-I258 HydrophobicContact CE3-CG2 3.91Å; W226-I258 HydrophobicContact CG-CD1 3.51Å; W226-I258 HydrophobicContact CG-CG2 4.14Å; W226-I258 HydrophobicContact CH2-CG2 4.21Å; W226-I258 HydrophobicContact CZ2-CG2 4.02Å; W226-I258 HydrophobicContact CZ3-CG2 4.16Å; W226-Q282 PolarHBondContact NE1-O 3.4Å; W226-R285 HydrophobicContact CH2-CG 3.78Å; W226-R285 HydrophobicContact CZ2-CG 4.3Å
227	Y	95.8	Very high	92.9	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	31%	0.31	C	S	.	.			trans	-129.2	45.7	179.2	-51.3	-79.3	0	0	0	110.3	H211 A213 L216 S223 Q224 T229 K232 Q233 I236	H211-Y227 HydrophobicContact CB-CE1 3.95Å; H211-Y227 WeakPolarHBondContact CB-OH 3.43Å; H211-Y227 AromaticContact CG-CE1 3.85Å; H211-Y227 AromaticContact ND1-CE1 3.6Å; H211-Y227 AromaticContact ND1-CZ 3.58Å; H211-Y227 PolarHBondContact ND1-OH 2.93Å; A213-Y227 HydrophobicContact CB-CD2 4.24Å; A213-Y227 HydrophobicContact CB-CE2 3.57Å; L216-Y227 HydrophobicContact CD2-CD2 4.19Å; S223-Y227 VanDerWaalsContact O-CD2 3.3Å; S223-Y227 WeakPolarHBondContact O-CD2 3.42Å; Q224-Y227 CarbonylContact O-C 3.53Å; Q224-Y227 PolarHBondContact O-N 2.97Å; Q224-Y227 VanDerWaalsContact O-N 3.09Å; Y227-T229 VanDerWaalsContact C-N 3.33Å; Y227-T229 PolarHBondContact O-N 3.47Å; Y227-K232 HydrophobicContact CD1-CB 4.45Å; Y227-Q233 WeakPolarHBondContact O-CG 3.26Å; Y227-Q233 PolarHBondContact O-NE2 3.14Å; Y227-I236 HydrophobicContact CD1-CD1 3.65Å; Y227-I236 HydrophobicContact CD1-CG1 3.62Å; Y227-I236 HydrophobicContact CD2-CD1 4.06Å; Y227-I236 HydrophobicContact CE1-CD1 4.09Å; Y227-I236 HydrophobicContact CE1-CG1 3.66Å; Y227-I236 HydrophobicContact CE2-CD1 4.47Å; Y227-I236 HydrophobicContact CG-CD1 3.63Å; Y227-I236 HydrophobicContact CG-CG1 4.14Å
228	D	93.7	Very high	93.4	Very high	91 Å²	91	50.9 Å²	50.9	49%	0.487	29%	0.286	S	S	.	.			trans	-78.4	-10.6	-175.8	63.3	-20.7	0	0	0	114.3	Q224 K232	Q224-D228 PolarHBondContact O-N 3.07Å; D228-K232 VanDerWaalsContact OD1-CD 3.26Å; D228-K232 WeakPolarHBondContact OD1-CD 3.1Å; D228-K232 WeakPolarHBondContact OD1-CE 3.08Å; D228-K232 IonicContact OD1-NZ 2.73Å; D228-K232 PolarHBondContact OD1-NZ 2.92Å; D228-K232 IonicContact OD2-NZ 3.58Å
229	T	94.2	Very high	94	Very high	58 Å²	58	53.3 Å²	53.3	36%	0.356	30%	0.299	S	S	.	.	S	Bend	trans	-123.9	155.3	177.5	70.4	0	0	0	0	111.7	Y227 D231 K232 Q233	Y227-T229 VanDerWaalsContact C-N 3.33Å; Y227-T229 PolarHBondContact O-N 3.47Å; T229-D231 VanDerWaalsContact C-N 3.27Å; T229-D231 PolarHBondContact O-N 2.7Å; T229-K232 PolarHBondContact O-N 3.37Å; T229-K232 VanDerWaalsContact O-N 3.13Å; T229-K232 WeakPolarHBondContact OG1-CG 3.42Å; T229-K232 PolarHBondContact OG1-N 2.93Å; T229-Q233 WeakPolarHBondContact O-CG 3.42Å; T229-Q233 PolarHBondContact O-N 3.38Å
230	V	94.5	Very high	94.4	Very high	115 Å²	115	49.5 Å²	49.5	70%	0.697	28%	0.284	S	S	*	.	H	α-helix	trans	-55.7	-42.5	177	177.3	0	0	0	0	111.4	K232 Q233 A234	V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 3.35Å; V230-Q233 PolarHBondContact O-N 3.12Å; V230-A234 PolarHBondContact O-N 2.73Å
231	D	93.9	Very high	94.7	Very high	138 Å²	138	54.6 Å²	54.6	74%	0.738	30%	0.303	S	S	*	.	H	α-helix	trans	-61.4	-39.4	179.1	-60.8	-28.7	0	0	0	112.5	T229	T229-D231 VanDerWaalsContact C-N 3.27Å; T229-D231 PolarHBondContact O-N 2.7Å
232	K	95.3	Very high	94.9	Very high	46 Å²	46	55.8 Å²	55.8	20%	0.2	31%	0.313	C	S	.	.	H	α-helix	trans	-73.3	-39.4	176.5	-66.6	174	-174.8	173.1	0	111.1	Y207 W226 Y227 D228 T229 V230 A234 S235	Y207-K232 HydrophobicContact CD1-CB 4.1Å; Y207-K232 HydrophobicContact CD1-CG 3.88Å; Y207-K232 HydrophobicContact CE1-CB 3.84Å; Y207-K232 HydrophobicContact CE1-CD 3.83Å; Y207-K232 HydrophobicContact CE1-CG 3.6Å; Y207-K232 HydrophobicContact CE2-CD 4.42Å; Y207-K232 HydrophobicContact CE2-CG 4.45Å; Y207-K232 HydrophobicContact CG-CG 4.4Å; W226-K232 WeakPolarHBondContact O-CD 3.46Å; Y227-K232 HydrophobicContact CD1-CB 4.45Å; D228-K232 VanDerWaalsContact OD1-CD 3.26Å; D228-K232 WeakPolarHBondContact OD1-CD 3.1Å; D228-K232 WeakPolarHBondContact OD1-CE 3.08Å; D228-K232 IonicContact OD1-NZ 2.73Å; D228-K232 PolarHBondContact OD1-NZ 2.92Å; D228-K232 IonicContact OD2-NZ 3.58Å; T229-K232 PolarHBondContact O-N 3.37Å; T229-K232 VanDerWaalsContact O-N 3.13Å; T229-K232 WeakPolarHBondContact OG1-CG 3.42Å; T229-K232 PolarHBondContact OG1-N 2.93Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 3.35Å; K232-A234 PolarHBondContact O-N 3.18Å; K232-S235 WeakPolarHBondContact O-CB 3.31Å; K232-S235 PolarHBondContact O-N 3.38Å; K232-S235 VanDerWaalsContact O-N 3.11Å; K232-S235 PolarHBondContact O-OG 3.05Å
233	Q	96.2	Very high	95.2	Very high	78 Å²	78	55.7 Å²	55.7	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-63	-31	175.8	-69.7	178.1	15.8	0	0	112.2	L216 Y227 T229 V230 S235 I236	L216-Q233 HydrophobicContact CD1-CG 3.77Å; Y227-Q233 WeakPolarHBondContact O-CG 3.26Å; Y227-Q233 PolarHBondContact O-NE2 3.14Å; T229-Q233 WeakPolarHBondContact O-CG 3.42Å; T229-Q233 PolarHBondContact O-N 3.38Å; V230-Q233 PolarHBondContact O-N 3.12Å; Q233-S235 PolarHBondContact O-N 3Å; Q233-I236 WeakPolarHBondContact O-CB 3.4Å; Q233-I236 WeakPolarHBondContact O-CG1 3.43Å; Q233-I236 PolarHBondContact O-N 3.38Å
234	A	96.1	Very high	95.2	Very high	83 Å²	83	58.5 Å²	58.5	69%	0.686	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.1	175.1	0	0	0	0	0	113.7	V230 K232 I236	V230-A234 PolarHBondContact O-N 2.73Å; K232-A234 PolarHBondContact O-N 3.18Å; A234-I236 VanDerWaalsContact C-N 3.29Å
235	S	96.6	Very high	95.3	Very high	11 Å²	11	57.7 Å²	57.7	8%	0.077	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-18.5	172.4	73.3	0	0	0	0	113	Q210 H211 K232 Q233 A237	Q210-S235 CarbonylContact C-O 3.45Å; Q210-S235 WeakPolarHBondContact CA-O 3.5Å; H211-S235 PolarHBondContact CD2-OG 2.87Å; H211-S235 PolarHBondContact N-O 2.91Å; K232-S235 WeakPolarHBondContact O-CB 3.31Å; K232-S235 PolarHBondContact O-N 3.38Å; K232-S235 VanDerWaalsContact O-N 3.11Å; K232-S235 PolarHBondContact O-OG 3.05Å; Q233-S235 PolarHBondContact O-N 3Å; S235-A237 PolarHBondContact O-N 3.05Å
236	I	97.6	Very high	95.4	Very high	27 Å²	27	55.6 Å²	55.6	14%	0.138	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	113.6	-175	-55.5	173.3	0	0	0	110.1	H211 A213 L216 Y227 Q233 A234 Y238 Q239	H211-I236 HydrophobicContact CB-CG1 4.45Å; A213-I236 HydrophobicContact CB-CD1 4.27Å; A213-I236 HydrophobicContact CB-CG1 4.48Å; A213-I236 HydrophobicContact CB-CG2 4.27Å; L216-I236 HydrophobicContact CD1-CD1 3.71Å; L216-I236 HydrophobicContact CG-CD1 4.27Å; Y227-I236 HydrophobicContact CD1-CD1 3.65Å; Y227-I236 HydrophobicContact CD1-CG1 3.62Å; Y227-I236 HydrophobicContact CD2-CD1 4.06Å; Y227-I236 HydrophobicContact CE1-CD1 4.09Å; Y227-I236 HydrophobicContact CE1-CG1 3.66Å; Y227-I236 HydrophobicContact CE2-CD1 4.47Å; Y227-I236 HydrophobicContact CG-CD1 3.63Å; Y227-I236 HydrophobicContact CG-CG1 4.14Å; Q233-I236 WeakPolarHBondContact O-CB 3.4Å; Q233-I236 WeakPolarHBondContact O-CG1 3.43Å; Q233-I236 PolarHBondContact O-N 3.38Å; A234-I236 VanDerWaalsContact C-N 3.29Å; I236-Y238 VanDerWaalsContact CG2-O 3.3Å; I236-Y238 WeakPolarHBondContact CG2-O 3.28Å; I236-Q239 HydrophobicContact CG2-CG 3.56Å
237	A	97.9	Very high	95.5	Very high	54 Å²	54	55.5 Å²	55.5	45%	0.446	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-24.2	173.1	0	0	0	0	0	112.6	Q210 H211 S235 L255	Q210-A237 HydrophobicContact CB-CB 4.02Å; Q210-A237 HydrophobicContact CG-CB 4.47Å; H211-A237 PolarHBondContact O-N 2.88Å; S235-A237 PolarHBondContact O-N 3.05Å; A237-L255 HydrophobicContact CB-CD1 4.34Å; A237-L255 HydrophobicContact CB-CD2 3.76Å
238	Y	97.9	Very high	95.6	Very high	77 Å²	77	57.7 Å²	57.7	30%	0.302	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	135.2	179.9	173.3	-100.7	0	0	0	112.1	H211 A212 A213 I236 V246 V249	H211-Y238 PolarHBondContact O-N 3.31Å; A212-Y238 WeakPolarHBondContact CA-O 3.39Å; A212-Y238 HydrophobicContact CB-CD1 3.92Å; A213-Y238 PolarHBondContact N-O 3.05Å; I236-Y238 VanDerWaalsContact CG2-O 3.3Å; I236-Y238 WeakPolarHBondContact CG2-O 3.28Å; Y238-V246 HydrophobicContact CE1-CG2 4.2Å; Y238-V249 HydrophobicContact CD1-CB 4.33Å; Y238-V249 HydrophobicContact CD1-CG1 4.24Å; Y238-V249 HydrophobicContact CD1-CG2 4.28Å; Y238-V249 HydrophobicContact CE1-CB 4.29Å; Y238-V249 HydrophobicContact CE1-CG2 3.86Å; Y238-V249 HydrophobicContact CE2-CG2 4.4Å; Y238-V249 HydrophobicContact CG-CG1 4.33Å
239	Q	96.9	Very high	95.8	Very high	90 Å²	90	55.1 Å²	55.1	42%	0.421	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.3	171.7	-69.2	-169.9	69.8	0	0	110.1	A213 I236	A213-Q239 WeakPolarHBondContact O-CA 3.49Å; I236-Q239 HydrophobicContact CG2-CG 3.56Å
240	G	94.1	Very high	96	Very high	4 Å²	4	52.4 Å²	52.4	4%	0.041	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	162.2	178.1	0	0	0	0	0	112.8	A213 V214 S215	A213-G240 PolarHBondContact O-N 2.65Å; V214-G240 CarbonylContact C-O 3.53Å; V214-G240 VanDerWaalsContact CA-O 3.29Å; V214-G240 WeakPolarHBondContact CA-O 3.39Å; S215-G240 PolarHBondContact N-O 2.93Å
241	M	92	Very high	96.1	Very high	143 Å²	143	47.9 Å²	47.9	70%	0.704	28%	0.275	S	S	*	.	S	Bend	trans	-82.8	-26.9	-179.6	-64.5	-64.2	-85.2	0	0	113.5
242	A	93.1	Very high	96.3	Very high	32 Å²	32	48.4 Å²	48.4	26%	0.264	27%	0.273	S	S	.	.	S	Bend	trans	-128.6	144	-176.9	0	0	0	0	0	111.2	M244 S245 V246	A242-M244 PolarHBondContact O-N 3.34Å; A242-S245 PolarHBondContact O-N 2.97Å; A242-S245 VanDerWaalsContact O-N 3.14Å; A242-V246 PolarHBondContact O-N 3.33Å
243	M	95.1	Very high	96.4	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-34.3	-179.5	-171.4	57.2	73.7	0	0	112.1	P121 V214 F222 S245 V246 L247 A259 L263	P121-M243 HydrophobicContact CB-CB 4.06Å; V214-M243 HydrophobicContact CG2-CB 4.28Å; V214-M243 HydrophobicContact CG2-CE 3.64Å; V214-M243 HydrophobicContact CG2-SD 4.27Å; F222-M243 HydrophobicContact CD1-CE 3.26Å; F222-M243 HydrophobicContact CE1-CE 3.24Å; F222-M243 HydrophobicContact CG-CE 4.3Å; F222-M243 HydrophobicContact CZ-CE 4.25Å; M243-S245 VanDerWaalsContact C-N 3.33Å; M243-S245 PolarHBondContact O-N 2.84Å; M243-V246 WeakPolarHBondContact O-CB 3.4Å; M243-V246 PolarHBondContact O-N 2.99Å; M243-V246 VanDerWaalsContact O-N 3.12Å; M243-V246 HydrophobicContact SD-CB 4.13Å; M243-V246 HydrophobicContact SD-CG1 4.06Å; M243-L247 HydrophobicContact CG-CG 4.39Å; M243-L247 WeakPolarHBondContact O-CG 3.48Å; M243-L247 PolarHBondContact O-N 2.72Å; M243-A259 HydrophobicContact CE-CB 4.35Å; M243-A259 HydrophobicContact CG-CB 4.3Å; M243-A259 HydrophobicContact SD-CB 3.89Å; M243-L263 HydrophobicContact CB-CD2 3.73Å; M243-L263 HydrophobicContact CG-CD2 3.33Å
244	M	93.9	Very high	96.4	Very high	60 Å²	60	50.2 Å²	50.2	30%	0.296	29%	0.285	S	S	.	.	H	α-helix	trans	-58.1	-43.1	174.2	-75	-52.7	-59.8	0	0	113.3	A242 V246 L247 S248 L263 F267	A242-M244 PolarHBondContact O-N 3.34Å; M244-V246 VanDerWaalsContact C-N 3.33Å; M244-L247 PolarHBondContact O-N 2.67Å; M244-S248 WeakPolarHBondContact O-CB 3.36Å; M244-S248 PolarHBondContact O-N 2.91Å; M244-L263 HydrophobicContact SD-CD1 3.91Å; M244-L263 HydrophobicContact SD-CG 4.49Å; M244-F267 HydrophobicContact CE-CD1 3.59Å; M244-F267 HydrophobicContact CE-CD2 3.67Å; M244-F267 HydrophobicContact CE-CE1 3.28Å; M244-F267 HydrophobicContact CE-CE2 3.4Å; M244-F267 VanDerWaalsContact CE-CE2 3.4Å; M244-F267 HydrophobicContact CE-CG 3.79Å; M244-F267 HydrophobicContact CE-CZ 3.19Å; M244-F267 HydrophobicContact SD-CD2 3.51Å; M244-F267 VanDerWaalsContact SD-CD2 3.51Å; M244-F267 HydrophobicContact SD-CE1 4.23Å; M244-F267 HydrophobicContact SD-CE2 3.15Å; M244-F267 WeakPolarHBondContact SD-CE2 3.42Å; M244-F267 HydrophobicContact SD-CG 4.22Å; M244-F267 HydrophobicContact SD-CZ 3.56Å; M244-F267 VanDerWaalsContact SD-CZ 3.56Å
245	S	95.1	Very high	96.5	Very high	55 Å²	55	47.1 Å²	47.1	39%	0.385	26%	0.257	S	S	.	.	H	α-helix	trans	-67.1	-37.2	175.8	-51.9	0	0	0	0	111.5	A242 M243 S248 V249	A242-S245 PolarHBondContact O-N 2.97Å; A242-S245 VanDerWaalsContact O-N 3.14Å; M243-S245 VanDerWaalsContact C-N 3.33Å; M243-S245 PolarHBondContact O-N 2.84Å; S245-S248 PolarHBondContact O-N 3.27Å; S245-V249 WeakPolarHBondContact O-CG2 3.07Å; S245-V249 PolarHBondContact O-N 2.81Å
246	V	97.4	Very high	96.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-49.1	174.8	169.5	0	0	0	0	110.6	A212 A213 V214 Y238 A242 M243 M244 S248 V249 V250 A257	A212-V246 HydrophobicContact CB-CG1 3.82Å; A212-V246 WeakPolarHBondContact O-CG1 3.49Å; A213-V246 WeakPolarHBondContact O-CG2 2.98Å; V214-V246 HydrophobicContact CG2-CG2 4.24Å; Y238-V246 HydrophobicContact CE1-CG2 4.2Å; A242-V246 PolarHBondContact O-N 3.33Å; M243-V246 WeakPolarHBondContact O-CB 3.4Å; M243-V246 PolarHBondContact O-N 2.99Å; M243-V246 VanDerWaalsContact O-N 3.12Å; M243-V246 HydrophobicContact SD-CB 4.13Å; M243-V246 HydrophobicContact SD-CG1 4.06Å; M244-V246 VanDerWaalsContact C-N 3.33Å; V246-S248 VanDerWaalsContact C-N 3.32Å; V246-S248 PolarHBondContact O-N 2.73Å; V246-V249 PolarHBondContact O-N 3.41Å; V246-V250 WeakPolarHBondContact O-CG2 3.32Å; V246-V250 PolarHBondContact O-N 3.15Å; V246-A257 HydrophobicContact CG1-CB 3.63Å
247	L	97.8	Very high	96.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-37.8	178	-66.1	-178.1	0	0	0	112.5	V189 M243 M244 V249 V250 S251 A259 L263 L271 L273	V189-L247 HydrophobicContact CB-CD2 4.12Å; V189-L247 HydrophobicContact CG1-CD2 3.89Å; V189-L247 HydrophobicContact CG2-CD2 4.2Å; M243-L247 HydrophobicContact CG-CG 4.39Å; M243-L247 WeakPolarHBondContact O-CG 3.48Å; M243-L247 PolarHBondContact O-N 2.72Å; M244-L247 PolarHBondContact O-N 2.67Å; L247-V249 PolarHBondContact O-N 3.19Å; L247-V250 PolarHBondContact O-N 3.13Å; L247-S251 PolarHBondContact O-N 3.49Å; L247-A259 HydrophobicContact CD2-CB 4.24Å; L247-L263 HydrophobicContact CD1-CD2 4.18Å; L247-L263 HydrophobicContact CD1-CG 4.07Å; L247-L271 HydrophobicContact CB-CD1 4.11Å; L247-L273 HydrophobicContact CB-CD1 4.22Å; L247-L273 HydrophobicContact CD2-CD1 4.38Å
248	S	97.4	Very high	96.6	Very high	46 Å²	46	42.9 Å²	42.9	32%	0.322	23%	0.226	S	C	.	.	H	α-helix	trans	-66.5	-32.7	175.9	-178.7	0	0	0	0	113.5	M244 S245 V246 S251 Q252	M244-S248 WeakPolarHBondContact O-CB 3.36Å; M244-S248 PolarHBondContact O-N 2.91Å; S245-S248 PolarHBondContact O-N 3.27Å; V246-S248 VanDerWaalsContact C-N 3.32Å; V246-S248 PolarHBondContact O-N 2.73Å; S248-S251 PolarHBondContact O-OG 3.25Å; S248-Q252 PolarHBondContact O-NE2 3.02Å
249	V	98.1	Very high	96.6	Very high	38 Å²	38	39.2 Å²	39.2	23%	0.23	21%	0.212	C	C	.	.	H	α-helix	trans	-73.1	-43.3	172.4	172	0	0	0	0	110.4	Y238 S245 V246 L247 S251 Q252 T253 L255	Y238-V249 HydrophobicContact CD1-CB 4.33Å; Y238-V249 HydrophobicContact CD1-CG1 4.24Å; Y238-V249 HydrophobicContact CD1-CG2 4.28Å; Y238-V249 HydrophobicContact CE1-CB 4.29Å; Y238-V249 HydrophobicContact CE1-CG2 3.86Å; Y238-V249 HydrophobicContact CE2-CG2 4.4Å; Y238-V249 HydrophobicContact CG-CG1 4.33Å; S245-V249 WeakPolarHBondContact O-CG2 3.07Å; S245-V249 PolarHBondContact O-N 2.81Å; V246-V249 PolarHBondContact O-N 3.41Å; L247-V249 PolarHBondContact O-N 3.19Å; V249-S251 VanDerWaalsContact C-N 3.28Å; V249-S251 PolarHBondContact O-N 3.06Å; V249-Q252 PolarHBondContact O-N 3.31Å; V249-Q252 VanDerWaalsContact O-N 3.17Å; V249-T253 HydrophobicContact CG1-CG2 4.13Å; V249-T253 WeakPolarHBondContact O-CB 3.43Å; V249-T253 VanDerWaalsContact O-CG2 3.31Å; V249-T253 WeakPolarHBondContact O-CG2 3.26Å; V249-T253 PolarHBondContact O-N 3.21Å; V249-T253 PolarHBondContact O-OG1 3.42Å; V249-L255 HydrophobicContact CG1-CD1 4Å
250	V	98.3	Very high	96.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-39.9	177.2	166.5	0	0	0	0	111.8	V189 A212 V246 L247 Q252 T253 L255 A257 L273	V189-V250 HydrophobicContact CG1-CG1 4.47Å; A212-V250 HydrophobicContact CB-CG2 3.73Å; V246-V250 WeakPolarHBondContact O-CG2 3.32Å; V246-V250 PolarHBondContact O-N 3.15Å; L247-V250 PolarHBondContact O-N 3.13Å; V250-Q252 PolarHBondContact O-N 2.9Å; V250-T253 PolarHBondContact O-N 3.32Å; V250-L255 WeakPolarHBondContact CG1-O 3.19Å; V250-L255 HydrophobicContact CG2-CB 4.41Å; V250-A257 HydrophobicContact CG2-CB 3.74Å; V250-L273 HydrophobicContact CB-CD2 4.48Å; V250-L273 HydrophobicContact CG1-CD2 3.85Å
251	S	97.8	Very high	96.8	Very high	20 Å²	20	37.7 Å²	37.7	14%	0.14	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-27.4	-179.9	61.8	0	0	0	0	114	S191 L247 S248 V249 L271	S191-S251 PolarHBondContact OG-O 3.34Å; L247-S251 PolarHBondContact O-N 3.49Å; S248-S251 PolarHBondContact O-OG 3.25Å; V249-S251 VanDerWaalsContact C-N 3.28Å; V249-S251 PolarHBondContact O-N 3.06Å; S251-L271 WeakPolarHBondContact CB-O 3.23Å
252	Q	97.4	Very high	97	Very high	149 Å²	149	32.6 Å²	32.6	70%	0.696	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.5	6.1	-174.7	-66.2	173.7	79	0	0	113.4	S248 V249 V250	S248-Q252 PolarHBondContact O-NE2 3.02Å; V249-Q252 PolarHBondContact O-N 3.31Å; V249-Q252 VanDerWaalsContact O-N 3.17Å; V250-Q252 PolarHBondContact O-N 2.9Å
253	T	97.9	Very high	97.1	Very high	48 Å²	48	31 Å²	31	29%	0.294	16%	0.161	S	C	.	.	S	Bend	trans	-137.7	-177.8	-176.1	62.5	0	0	0	0	111.3	V249 V250 L255	V249-T253 HydrophobicContact CG1-CG2 4.13Å; V249-T253 WeakPolarHBondContact O-CB 3.43Å; V249-T253 VanDerWaalsContact O-CG2 3.31Å; V249-T253 WeakPolarHBondContact O-CG2 3.26Å; V249-T253 PolarHBondContact O-N 3.21Å; V249-T253 PolarHBondContact O-OG1 3.42Å; V250-T253 PolarHBondContact O-N 3.32Å; T253-L255 VanDerWaalsContact C-N 3.31Å; T253-L255 WeakPolarHBondContact OG1-CB 3.4Å; T253-L255 WeakPolarHBondContact OG1-CG 3.37Å; T253-L255 PolarHBondContact OG1-N 3.45Å
254	H	96.9	Very high	97.2	Very high	115 Å²	115	30.9 Å²	30.9	53%	0.532	16%	0.16	S	C	.	.	S	Bend	trans	-98.9	23.8	166.8	-55	-37.5	0	0	0	111.4	H194 P195	H194-H254 PolarHBondContact NE2-O 2.99Å; P195-H254 WeakPolarHBondContact CD-ND1 3.33Å
255	L	98	Very high	97.4	Very high	18 Å²	18	32.8 Å²	32.8	9%	0.094	17%	0.169	C	C	.	.			trans	-79.7	155.7	170.7	-57.2	-175.6	0	0	0	109.7	Q210 A212 A237 V249 V250 T253	Q210-L255 HydrophobicContact CB-CD2 3.37Å; Q210-L255 CarbonylContact O-C 3.53Å; Q210-L255 VanDerWaalsContact O-CA 3.22Å; Q210-L255 WeakPolarHBondContact O-CA 3.4Å; A212-L255 HydrophobicContact CB-CB 4.16Å; A212-L255 HydrophobicContact CB-CD1 4.02Å; A237-L255 HydrophobicContact CB-CD1 4.34Å; A237-L255 HydrophobicContact CB-CD2 3.76Å; V249-L255 HydrophobicContact CG1-CD1 4Å; V250-L255 WeakPolarHBondContact CG1-O 3.19Å; V250-L255 HydrophobicContact CG2-CB 4.41Å; T253-L255 VanDerWaalsContact C-N 3.31Å; T253-L255 WeakPolarHBondContact OG1-CB 3.4Å; T253-L255 WeakPolarHBondContact OG1-CG 3.37Å; T253-L255 PolarHBondContact OG1-N 3.45Å
256	V	98	Very high	97.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-113.4	157.4	169.5	-59	0	0	0	0	110.9	L188 V189 A190 I197 E209 Q210 H211 A212	L188-V256 HydrophobicContact CD1-CB 4.06Å; L188-V256 HydrophobicContact CD1-CG2 4.08Å; L188-V256 HydrophobicContact CG-CB 4.38Å; V189-V256 CarbonylContact O-C 3.49Å; V189-V256 VanDerWaalsContact O-CA 3.31Å; V189-V256 WeakPolarHBondContact O-CA 3.29Å; A190-V256 HydrophobicContact CB-CG1 4.1Å; I197-V256 HydrophobicContact CG1-CG1 4.13Å; E209-V256 HydrophobicContact CB-CG1 4.12Å; E209-V256 HydrophobicContact CB-CG2 3.93Å; E209-V256 HydrophobicContact CG-CG1 4.29Å; Q210-V256 PolarHBondContact O-N 3.19Å; H211-V256 CarbonylContact C-O 3.12Å; H211-V256 VanDerWaalsContact CA-O 3.28Å; H211-V256 WeakPolarHBondContact CA-O 3.37Å; A212-V256 PolarHBondContact N-O 2.84Å
257	A	98.1	Very high	97.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.3	172.8	0	0	0	0	0	111.7	L188 V189 A212 V246 V250	L188-A257 WeakPolarHBondContact CA-O 3.33Å; V189-A257 PolarHBondContact N-O 3.43Å; V189-A257 PolarHBondContact O-N 3.14Å; A212-A257 WeakPolarHBondContact O-CB 3.38Å; V246-A257 HydrophobicContact CG1-CB 3.63Å; V250-A257 HydrophobicContact CG2-CB 3.74Å
258	I	97.8	Very high	97.3	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.2	167.7	-61.9	170.1	0	0	0	107.5	M186 V187 L188 W226 L278 L280	M186-I258 HydrophobicContact CB-CG2 4.23Å; V187-I258 WeakPolarHBondContact O-CA 3.44Å; L188-I258 HydrophobicContact CD1-CG1 4.15Å; W226-I258 HydrophobicContact CB-CD1 3.56Å; W226-I258 HydrophobicContact CD2-CB 4.38Å; W226-I258 HydrophobicContact CD2-CD1 4.19Å; W226-I258 HydrophobicContact CD2-CG2 3.66Å; W226-I258 HydrophobicContact CE3-CG2 3.91Å; W226-I258 HydrophobicContact CG-CD1 3.51Å; W226-I258 HydrophobicContact CG-CG2 4.14Å; W226-I258 HydrophobicContact CH2-CG2 4.21Å; W226-I258 HydrophobicContact CZ2-CG2 4.02Å; W226-I258 HydrophobicContact CZ3-CG2 4.16Å; I258-L278 HydrophobicContact CD1-CD1 4.08Å; I258-L278 HydrophobicContact CD1-CD2 4.38Å; I258-L278 HydrophobicContact CG1-CD1 4.04Å; I258-L278 HydrophobicContact CG1-CD2 4.45Å; I258-L278 HydrophobicContact CG2-CD2 3.79Å; I258-L280 HydrophobicContact CD1-CD1 4.38Å
259	A	97.6	Very high	97.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	161.5	-173.6	0	0	0	0	0	111.5	M186 V187 V189 M243 L247	M186-A259 WeakPolarHBondContact CA-O 3.22Å; V187-A259 WeakPolarHBondContact CG2-O 3.37Å; V187-A259 PolarHBondContact N-O 3.05Å; V187-A259 PolarHBondContact O-N 3.35Å; V187-A259 VanDerWaalsContact O-N 3.15Å; V189-A259 HydrophobicContact CG2-CB 4.01Å; M243-A259 HydrophobicContact CE-CB 4.35Å; M243-A259 HydrophobicContact CG-CB 4.3Å; M243-A259 HydrophobicContact SD-CB 3.89Å; L247-A259 HydrophobicContact CD2-CB 4.24Å
260	P	97.3	Very high	97.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	137.4	168.9	-17.3	31.5	0	0	0	110.6	P121 E185 M186 F222 W262 L263 A264	P121-P260 HydrophobicContact CG-CG 3.85Å; E185-P260 WeakPolarHBondContact O-CA 3.49Å; M186-P260 HydrophobicContact CE-CB 4.31Å; M186-P260 HydrophobicContact CE-CG 4.22Å; M186-P260 VanDerWaalsContact SD-CA 3.58Å; M186-P260 HydrophobicContact SD-CB 4.13Å; M186-P260 HydrophobicContact SD-CG 4.07Å; F222-P260 HydrophobicContact CE2-CG 3.82Å; F222-P260 VanDerWaalsContact CZ-CD 3.48Å; F222-P260 HydrophobicContact CZ-CG 3.66Å; P260-W262 VanDerWaalsContact C-N 3.32Å; P260-W262 HydrophobicContact CB-CD2 4.38Å; P260-W262 HydrophobicContact CB-CG 4.3Å; P260-W262 HydrophobicContact CB-CZ2 4.3Å; P260-W262 VanDerWaalsContact CB-NE1 3.29Å; P260-W262 HydrophobicContact CG-CZ2 4.34Å; P260-W262 PolarHBondContact O-N 3.14Å; P260-L263 HydrophobicContact CB-CB 4.49Å; P260-L263 PolarHBondContact O-N 3.01Å; P260-A264 PolarHBondContact O-N 3.36Å
261	R	97.6	Very high	97.1	Very high	63 Å²	63	48.7 Å²	48.7	24%	0.238	24%	0.243	C	C	.	.	H	α-helix	trans	-52.6	-49	179.7	176	179.5	-73.1	-75.2	-1.8	112.1	E185 V187 L263 A264 E265	E185-R261 HydrophobicContact CB-CB 4.35Å; E185-R261 PolarHBondContact O-N 3.41Å; E185-R261 IonicContact OE1-CZ 3.87Å; E185-R261 IonicContact OE1-NE 3.91Å; E185-R261 PolarHBondContact OE1-NE 3.2Å; E185-R261 IonicContact OE1-NH2 3.79Å; E185-R261 PolarHBondContact OE1-NH2 2.89Å; E185-R261 IonicContact OE2-CZ 3.47Å; E185-R261 IonicContact OE2-NE 2.85Å; E185-R261 PolarHBondContact OE2-NE 2.93Å; E185-R261 IonicContact OE2-NH2 3.78Å; V187-R261 HydrophobicContact CG1-CB 3.86Å; V187-R261 HydrophobicContact CG1-CG 4.24Å; V187-R261 HydrophobicContact CG2-CB 4.36Å; R261-L263 PolarHBondContact O-N 3.33Å; R261-A264 PolarHBondContact O-N 3.38Å; R261-A264 VanDerWaalsContact O-N 3.14Å; R261-E265 WeakPolarHBondContact CD-OE1 3.26Å; R261-E265 HydrophobicContact CG-CG 4.05Å; R261-E265 WeakPolarHBondContact CG-OE1 3.42Å; R261-E265 IonicContact CZ-OE1 3.82Å; R261-E265 IonicContact NE-OE1 3.76Å; R261-E265 IonicContact NH1-OE1 3.14Å; R261-E265 PolarHBondContact NH1-OE1 3.46Å; R261-E265 WeakPolarHBondContact O-CB 3.18Å; R261-E265 WeakPolarHBondContact O-CG 3.28Å; R261-E265 PolarHBondContact O-N 2.81Å
262	W	95.8	Very high	97.1	Very high	35 Å²	35	53.1 Å²	53.1	13%	0.133	26%	0.261	C	S	.	.	H	α-helix	trans	-56.2	-40.5	-176.6	62.4	-102.1	0	0	0	112.1	P121 I125 D184 P260 E266	P121-W262 HydrophobicContact CB-CH2 4.32Å; P121-W262 HydrophobicContact CB-CZ2 4.33Å; P121-W262 HydrophobicContact CG-CZ2 4.48Å; P121-W262 VanDerWaalsContact O-CH2 3.32Å; P121-W262 WeakPolarHBondContact O-CH2 3.3Å; I125-W262 HydrophobicContact CB-CE3 4.14Å; I125-W262 HydrophobicContact CB-CH2 3.99Å; I125-W262 HydrophobicContact CB-CZ3 3.72Å; I125-W262 HydrophobicContact CD1-CD2 4.05Å; I125-W262 HydrophobicContact CD1-CE3 3.72Å; I125-W262 HydrophobicContact CD1-CG 4.49Å; I125-W262 HydrophobicContact CD1-CZ3 4.2Å; I125-W262 HydrophobicContact CG2-CD2 4.49Å; I125-W262 HydrophobicContact CG2-CE3 4.3Å; I125-W262 HydrophobicContact CG2-CH2 3.71Å; I125-W262 HydrophobicContact CG2-CZ2 3.88Å; I125-W262 HydrophobicContact CG2-CZ3 3.92Å; D184-W262 PolarHBondContact OD2-NE1 2.91Å; P260-W262 VanDerWaalsContact C-N 3.32Å; P260-W262 HydrophobicContact CB-CD2 4.38Å; P260-W262 HydrophobicContact CB-CG 4.3Å; P260-W262 HydrophobicContact CB-CZ2 4.3Å; P260-W262 VanDerWaalsContact CB-NE1 3.29Å; P260-W262 HydrophobicContact CG-CZ2 4.34Å; P260-W262 PolarHBondContact O-N 3.14Å; W262-E266 WeakPolarHBondContact O-CB 3.36Å; W262-E266 PolarHBondContact O-N 3.36Å; W262-E266 VanDerWaalsContact O-N 3.11Å
263	L	96.2	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-75.1	-41.5	180	-173.9	69.5	0	0	0	111	P121 M243 M244 L247 P260 R261 E265 E266 F267	P121-L263 HydrophobicContact CB-CD2 3.97Å; M243-L263 HydrophobicContact CB-CD2 3.73Å; M243-L263 HydrophobicContact CG-CD2 3.33Å; M244-L263 HydrophobicContact SD-CD1 3.91Å; M244-L263 HydrophobicContact SD-CG 4.49Å; L247-L263 HydrophobicContact CD1-CD2 4.18Å; L247-L263 HydrophobicContact CD1-CG 4.07Å; P260-L263 HydrophobicContact CB-CB 4.49Å; P260-L263 PolarHBondContact O-N 3.01Å; R261-L263 PolarHBondContact O-N 3.33Å; L263-E265 VanDerWaalsContact C-N 3.3Å; L263-E265 PolarHBondContact O-N 2.87Å; L263-E266 PolarHBondContact O-N 2.99Å; L263-F267 HydrophobicContact CD1-CD2 4.05Å; L263-F267 HydrophobicContact CD1-CE2 3.74Å; L263-F267 HydrophobicContact CG-CD2 4.46Å; L263-F267 WeakPolarHBondContact O-CD2 3.46Å; L263-F267 PolarHBondContact O-N 3.03Å
264	A	97.4	Very high	97.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-41	177.8	0	0	0	0	0	111.6	V187 V189 P260 R261 F267 A268 V275	V187-A264 HydrophobicContact CG2-CB 3.83Å; V189-A264 HydrophobicContact CG2-CB 3.56Å; P260-A264 PolarHBondContact O-N 3.36Å; R261-A264 PolarHBondContact O-N 3.38Å; R261-A264 VanDerWaalsContact O-N 3.14Å; A264-F267 PolarHBondContact O-N 3.3Å; A264-A268 WeakPolarHBondContact O-CA 3.37Å; A264-A268 WeakPolarHBondContact O-CB 3.22Å; A264-A268 PolarHBondContact O-N 3.38Å; A264-V275 HydrophobicContact CB-CG1 4.22Å; A264-V275 HydrophobicContact CB-CG2 3.85Å
265	E	97.2	Very high	97.1	Very high	100 Å²	100	41.8 Å²	41.8	47%	0.467	21%	0.208	S	C	.	.	H	α-helix	trans	-69.3	-38.9	178.3	-73.2	174.3	176.8	0	0	112.2	R261 L263 F267 A268	R261-E265 WeakPolarHBondContact CD-OE1 3.26Å; R261-E265 HydrophobicContact CG-CG 4.05Å; R261-E265 WeakPolarHBondContact CG-OE1 3.42Å; R261-E265 IonicContact CZ-OE1 3.82Å; R261-E265 IonicContact NE-OE1 3.76Å; R261-E265 IonicContact NH1-OE1 3.14Å; R261-E265 PolarHBondContact NH1-OE1 3.46Å; R261-E265 WeakPolarHBondContact O-CB 3.18Å; R261-E265 WeakPolarHBondContact O-CG 3.28Å; R261-E265 PolarHBondContact O-N 2.81Å; L263-E265 VanDerWaalsContact C-N 3.3Å; L263-E265 PolarHBondContact O-N 2.87Å; E265-F267 PolarHBondContact O-N 3.36Å; E265-A268 PolarHBondContact O-N 2.87Å
266	E	95.4	Very high	97.1	Very high	110 Å²	110	42 Å²	42	51%	0.514	21%	0.209	S	C	.	.	H	α-helix	trans	-55.7	-37	175.4	-175.1	179.3	171.8	0	0	112.4	W262 L263	W262-E266 WeakPolarHBondContact O-CB 3.36Å; W262-E266 PolarHBondContact O-N 3.36Å; W262-E266 VanDerWaalsContact O-N 3.11Å; L263-E266 PolarHBondContact O-N 2.99Å
267	F	95.9	Very high	97	Very high	44 Å²	44	46.3 Å²	46.3	19%	0.193	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	4.1	-178.3	-65.4	-77.8	0	0	0	114.6	M244 L263 A264 E265 E269 S270 L271	M244-F267 HydrophobicContact CE-CD1 3.59Å; M244-F267 HydrophobicContact CE-CD2 3.67Å; M244-F267 HydrophobicContact CE-CE1 3.28Å; M244-F267 HydrophobicContact CE-CE2 3.4Å; M244-F267 VanDerWaalsContact CE-CE2 3.4Å; M244-F267 HydrophobicContact CE-CG 3.79Å; M244-F267 HydrophobicContact CE-CZ 3.19Å; M244-F267 HydrophobicContact SD-CD2 3.51Å; M244-F267 VanDerWaalsContact SD-CD2 3.51Å; M244-F267 HydrophobicContact SD-CE1 4.23Å; M244-F267 HydrophobicContact SD-CE2 3.15Å; M244-F267 WeakPolarHBondContact SD-CE2 3.42Å; M244-F267 HydrophobicContact SD-CG 4.22Å; M244-F267 HydrophobicContact SD-CZ 3.56Å; M244-F267 VanDerWaalsContact SD-CZ 3.56Å; L263-F267 HydrophobicContact CD1-CD2 4.05Å; L263-F267 HydrophobicContact CD1-CE2 3.74Å; L263-F267 HydrophobicContact CG-CD2 4.46Å; L263-F267 WeakPolarHBondContact O-CD2 3.46Å; L263-F267 PolarHBondContact O-N 3.03Å; A264-F267 PolarHBondContact O-N 3.3Å; E265-F267 PolarHBondContact O-N 3.36Å; F267-E269 VanDerWaalsContact C-N 3.34Å; F267-E269 PolarHBondContact O-N 2.96Å; F267-S270 PolarHBondContact O-OG 2.93Å; F267-L271 HydrophobicContact CB-CD1 3.85Å; F267-L271 HydrophobicContact CB-CG 4.16Å; F267-L271 HydrophobicContact CG-CD1 4.4Å; F267-L271 WeakPolarHBondContact O-CB 3.23Å; F267-L271 PolarHBondContact O-N 3.23Å
268	A	97.1	Very high	96.9	Very high	21 Å²	21	46.7 Å²	46.7	17%	0.174	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-40.2	-173.4	0	0	0	0	0	113.2	A264 E265 E272 L273 V275	A264-A268 WeakPolarHBondContact O-CA 3.37Å; A264-A268 WeakPolarHBondContact O-CB 3.22Å; A264-A268 PolarHBondContact O-N 3.38Å; E265-A268 PolarHBondContact O-N 2.87Å; A268-E272 WeakPolarHBondContact O-CA 3.3Å; A268-E272 PolarHBondContact O-N 3.02Å; A268-L273 PolarHBondContact O-N 3.04Å; A268-V275 HydrophobicContact CB-CG2 4.16Å
269	E	96.5	Very high	96.7	Very high	172 Å²	172	48.7 Å²	48.7	80%	0.804	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-51.8	179.1	-171.3	174.6	-178.2	0	0	111.5	F267 L271 E272	F267-E269 VanDerWaalsContact C-N 3.34Å; F267-E269 PolarHBondContact O-N 2.96Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.35Å; E269-E272 PolarHBondContact O-N 3.5Å
270	S	96.6	Very high	96.6	Very high	86 Å²	86	49.4 Å²	49.4	60%	0.601	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-30	-173.9	58.4	0	0	0	0	114	F267	F267-S270 PolarHBondContact O-OG 2.93Å
271	L	97.1	Very high	96.3	Very high	40 Å²	40	59.6 Å²	59.6	21%	0.209	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	8	177.5	-63.7	-177	0	0	0	113.3	L247 S251 F267 E269 L273	L247-L271 HydrophobicContact CB-CD1 4.11Å; S251-L271 WeakPolarHBondContact CB-O 3.23Å; F267-L271 HydrophobicContact CB-CD1 3.85Å; F267-L271 HydrophobicContact CB-CG 4.16Å; F267-L271 HydrophobicContact CG-CD1 4.4Å; F267-L271 WeakPolarHBondContact O-CB 3.23Å; F267-L271 PolarHBondContact O-N 3.23Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.35Å; L271-L273 HydrophobicContact CB-CD1 3.72Å; L271-L273 HydrophobicContact CB-CG 3.73Å; L271-L273 HydrophobicContact CD1-CD1 3.95Å; L271-L273 HydrophobicContact CG-CD1 4.47Å; L271-L273 PolarHBondContact O-N 3.32Å
272	E	97.6	Very high	96	Very high	112 Å²	112	61.2 Å²	61.2	52%	0.523	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	45.6	-176.5	-59	-164.9	115.8	0	0	113.2	K192 A268 E269	K192-E272 VanDerWaalsContact CB-O 3.31Å; K192-E272 WeakPolarHBondContact CB-O 3.37Å; K192-E272 HydrophobicContact CD-CB 4.18Å; K192-E272 VanDerWaalsContact CG-O 3.22Å; K192-E272 WeakPolarHBondContact CG-O 3.15Å; K192-E272 PolarHBondContact N-O 2.99Å; A268-E272 WeakPolarHBondContact O-CA 3.3Å; A268-E272 PolarHBondContact O-N 3.02Å; E269-E272 PolarHBondContact O-N 3.5Å
273	L	98	Very high	95.9	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.016	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	148.7	179.1	-58.9	167	0	0	0	110.7	V189 A190 K192 L247 V250 A268 L271	V189-L273 HydrophobicContact CG1-CB 3.9Å; V189-L273 HydrophobicContact CG1-CD1 3.87Å; V189-L273 HydrophobicContact CG1-CD2 4.03Å; V189-L273 HydrophobicContact CG1-CG 4.15Å; A190-L273 CarbonylContact O-C 3.56Å; A190-L273 WeakPolarHBondContact O-CA 3.36Å; K192-L273 VanDerWaalsContact CE-O 3.25Å; K192-L273 WeakPolarHBondContact CE-O 3.45Å; L247-L273 HydrophobicContact CB-CD1 4.22Å; L247-L273 HydrophobicContact CD2-CD1 4.38Å; V250-L273 HydrophobicContact CB-CD2 4.48Å; V250-L273 HydrophobicContact CG1-CD2 3.85Å; A268-L273 PolarHBondContact O-N 3.04Å; L271-L273 HydrophobicContact CB-CD1 3.72Å; L271-L273 HydrophobicContact CB-CG 3.73Å; L271-L273 HydrophobicContact CD1-CD1 3.95Å; L271-L273 HydrophobicContact CG-CD1 4.47Å; L271-L273 PolarHBondContact O-N 3.32Å
274	Q	97.4	Very high	95.9	Very high	34 Å²	34	63.4 Å²	63.4	16%	0.159	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.3	163.8	59.1	178	-54.7	0	0	109.4	A190 S191 K192 I197 L276	A190-Q274 HydrophobicContact CB-CG 3.96Å; A190-Q274 PolarHBondContact N-O 3.15Å; A190-Q274 WeakPolarHBondContact O-CG 3.37Å; A190-Q274 PolarHBondContact O-N 2.83Å; S191-Q274 PolarHBondContact O-NE2 2.84Å; K192-Q274 HydrophobicContact CG-CB 4.34Å; I197-Q274 PolarHBondContact O-NE2 3.37Å; I197-Q274 PolarHBondContact O-OE1 3.49Å; Q274-L276 HydrophobicContact CG-CD1 4.42Å
275	V	97.4	Very high	95.8	Very high	37 Å²	37	64.5 Å²	64.5	22%	0.224	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	116.9	-179.7	-176.1	0	0	0	0	108.4	V187 A264 A268	V187-V275 HydrophobicContact CB-CG1 3.79Å; V187-V275 HydrophobicContact CG1-CG1 3.97Å; V187-V275 HydrophobicContact CG2-CG1 3.65Å; A264-V275 HydrophobicContact CB-CG1 4.22Å; A264-V275 HydrophobicContact CB-CG2 3.85Å; A268-V275 HydrophobicContact CB-CG2 4.16Å
276	L	96.9	Very high	95.7	Very high	22 Å²	22	61.7 Å²	61.7	12%	0.115	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.5	-173	-65.4	164.4	0	0	0	110.7	V187 L188 I197 L201 Q274 L278	V187-L276 WeakPolarHBondContact CB-O 3.46Å; L188-L276 HydrophobicContact CB-CB 4.4Å; L188-L276 PolarHBondContact N-O 2.98Å; L188-L276 PolarHBondContact O-N 3.2Å; I197-L276 HydrophobicContact CG2-CD1 3.18Å; L201-L276 HydrophobicContact CD1-CD1 4.08Å; Q274-L276 HydrophobicContact CG-CD1 4.42Å; L276-L278 PolarHBondContact O-N 3.39Å
277	P	96	Very high	95.8	Very high	91 Å²	91	56.5 Å²	56.5	59%	0.591	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55	135.4	171.1	-23.6	33.6	0	0	0	111.1	P279	P277-P279 VanDerWaalsContact O-CD 3.26Å; P277-P279 WeakPolarHBondContact O-CD 3.41Å
278	L	96.3	Very high	95.9	Very high	9 Å²	9	56.7 Å²	56.7	5%	0.047	30%	0.295	C	S	.	.			trans	-84.3	111.7	177.1	-176.3	63.6	0	0	0	110	M186 L188 V206 I258 L276 L280 N283	M186-L278 HydrophobicContact CB-CD2 4.18Å; M186-L278 VanDerWaalsContact O-CB 3.28Å; M186-L278 WeakPolarHBondContact O-CB 3.41Å; L188-L278 HydrophobicContact CB-CD1 4.28Å; L188-L278 HydrophobicContact CD1-CD1 4.39Å; V206-L278 HydrophobicContact CG1-CD1 4.47Å; V206-L278 HydrophobicContact CG2-CD1 4.4Å; I258-L278 HydrophobicContact CD1-CD1 4.08Å; I258-L278 HydrophobicContact CD1-CD2 4.38Å; I258-L278 HydrophobicContact CG1-CD1 4.04Å; I258-L278 HydrophobicContact CG1-CD2 4.45Å; I258-L278 HydrophobicContact CG2-CD2 3.79Å; L276-L278 PolarHBondContact O-N 3.39Å; L278-L280 HydrophobicContact CD1-CD1 3.86Å; L278-L280 HydrophobicContact CD1-CG 3.95Å; L278-L280 HydrophobicContact CD2-CB 4.43Å; L278-L280 HydrophobicContact CD2-CD1 4.18Å; L278-L280 HydrophobicContact CD2-CG 4.47Å; L278-L280 HydrophobicContact CG-CB 4.07Å; L278-L280 HydrophobicContact CG-CD1 4.04Å; L278-L280 HydrophobicContact CG-CG 3.91Å; L278-L280 PolarHBondContact O-N 2.94Å; L278-N283 HydrophobicContact CB-CB 4.39Å; L278-N283 HydrophobicContact CD2-CB 4.45Å
279	P	93.8	Very high	95.9	Very high	43 Å²	43	55.7 Å²	55.7	28%	0.279	29%	0.287	S	S	.	.			trans	-80.1	44.1	-175.5	35.9	-39.1	0	0	0	112.6	L201 V206 P277	L201-P279 HydrophobicContact CB-CG 4.09Å; L201-P279 VanDerWaalsContact O-CB 3.3Å; L201-P279 WeakPolarHBondContact O-CB 3.36Å; V206-P279 HydrophobicContact CG2-CG 3.64Å; P277-P279 VanDerWaalsContact O-CD 3.26Å; P277-P279 WeakPolarHBondContact O-CD 3.41Å
280	L	94.5	Very high	95.9	Very high	16 Å²	16	47.5 Å²	47.5	8%	0.084	25%	0.249	C	C	.	.	S	Bend	trans	-118.6	147.7	179.3	-57.4	-176.4	0	0	0	110.3	K203 Y207 I258 L278 Q282 N283	K203-L280 HydrophobicContact CB-CD2 4.28Å; K203-L280 HydrophobicContact CD-CD2 4.13Å; K203-L280 HydrophobicContact CG-CD2 3.64Å; Y207-L280 HydrophobicContact CE2-CD1 4.21Å; Y207-L280 HydrophobicContact CE2-CD2 4.03Å; Y207-L280 WeakPolarHBondContact OH-CD1 3.42Å; I258-L280 HydrophobicContact CD1-CD1 4.38Å; L278-L280 HydrophobicContact CD1-CD1 3.86Å; L278-L280 HydrophobicContact CD1-CG 3.95Å; L278-L280 HydrophobicContact CD2-CB 4.43Å; L278-L280 HydrophobicContact CD2-CD1 4.18Å; L278-L280 HydrophobicContact CD2-CG 4.47Å; L278-L280 HydrophobicContact CG-CB 4.07Å; L278-L280 HydrophobicContact CG-CD1 4.04Å; L278-L280 HydrophobicContact CG-CG 3.91Å; L278-L280 PolarHBondContact O-N 2.94Å; L280-Q282 PolarHBondContact O-N 3.24Å; L280-N283 WeakPolarHBondContact O-CB 3.4Å
281	K	91.8	Very high	95.9	Very high	214 Å²	214	43.9 Å²	43.9	93%	0.93	22%	0.222	S	C	*	.	S	Bend	trans	-59.9	-37.4	174.2	-173.9	179.6	178.7	-176.7	0	111.8	N283	K281-N283 PolarHBondContact O-N 3.43Å
282	Q	91.9	Very high	95.6	Very high	96 Å²	96	43 Å²	43	45%	0.449	22%	0.216	S	C	.	.			trans	-87.2	83.4	171.9	-170	68.4	22.4	0	0	108.7	P225 W226 L280 S284	P225-Q282 HydrophobicContact CB-CG 4.44Å; W226-Q282 PolarHBondContact NE1-O 3.4Å; L280-Q282 PolarHBondContact O-N 3.24Å; Q282-S284 PolarHBondContact NE2-O 2.82Å
283	N	93.9	Very high	95.2	Very high	64 Å²	64	41.1 Å²	41.1	34%	0.342	21%	0.208	S	C	.	.			trans	-115.8	20.9	177.6	68	-10	0	0	0	112.8	M186 L278 L280 K281	M186-N283 PolarHBondContact N-O 2.95Å; L278-N283 HydrophobicContact CB-CB 4.39Å; L278-N283 HydrophobicContact CD2-CB 4.45Å; L280-N283 WeakPolarHBondContact O-CB 3.4Å; K281-N283 PolarHBondContact O-N 3.43Å
284	S	95.5	Very high	94.4	Very high	17 Å²	17	41 Å²	41	12%	0.119	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.9	179.7	45.3	0	0	0	0	112.1	K183 D184 Q282	K183-S284 WeakPolarHBondContact CE-OG 3.35Å; K183-S284 PolarHBondContact NZ-OG 2.91Å; D184-S284 CarbonylContact O-C 3.5Å; D184-S284 WeakPolarHBondContact O-CA 3.28Å; D184-S284 WeakPolarHBondContact O-CB 3.36Å; Q282-S284 PolarHBondContact NE2-O 2.82Å
285	R	95.3	Very high	93.7	Very high	24 Å²	24	39.5 Å²	39.5	9%	0.091	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.3	167.9	-63.1	-165.6	68.1	169.8	-4.4	110.3	Y168 K183 D184 M186 S221 F222 W226	Y168-R285 VanDerWaalsContact CB-NE 3.27Å; Y168-R285 HydrophobicContact CD1-CB 3.43Å; Y168-R285 VanDerWaalsContact CD1-CB 3.43Å; Y168-R285 HydrophobicContact CE1-CB 3.88Å; Y168-R285 HydrophobicContact CG-CB 4.01Å; Y168-R285 PolarHBondContact O-NH2 3.45Å; K183-R285 CarbonylContact C-O 3.5Å; D184-R285 PolarHBondContact N-O 3.31Å; D184-R285 PolarHBondContact O-N 3.08Å; M186-R285 HydrophobicContact CE-CB 3.71Å; M186-R285 HydrophobicContact CE-CG 3.85Å; S221-R285 PolarHBondContact O-NH1 3.1Å; F222-R285 VanDerWaalsContact CA-NH1 3.34Å; F222-R285 PolarHBondContact O-NH1 2.96Å; W226-R285 HydrophobicContact CH2-CG 3.78Å; W226-R285 HydrophobicContact CZ2-CG 4.3Å
286	T	95.8	Very high	93	Very high	41 Å²	41	38.4 Å²	38.4	25%	0.252	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	129	172.6	-54.1	0	0	0	0	109	Y168 P180 F182 Y288	Y168-T286 WeakPolarHBondContact CA-O 3.09Å; Y168-T286 WeakPolarHBondContact CD1-O 3.49Å; P180-T286 HydrophobicContact CB-CG2 3.76Å; F182-T286 WeakPolarHBondContact O-CA 3.43Å; T286-Y288 HydrophobicContact CG2-CD1 4.42Å; T286-Y288 HydrophobicContact CG2-CD2 4.23Å; T286-Y288 HydrophobicContact CG2-CE1 3.91Å; T286-Y288 HydrophobicContact CG2-CE2 3.67Å; T286-Y288 VanDerWaalsContact CG2-CZ 3.49Å; T286-Y288 WeakPolarHBondContact O-CD2 3.32Å; T286-Y288 WeakPolarHBondContact O-CE2 3.39Å
287	C	96.6	Very high	92.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	133.6	168.9	-177.7	0	0	0	0	108.9	L122 I166 S167 Y168 L181 F182	L122-C287 VanDerWaalsContact CD1-SG 3.57Å; L122-C287 HydrophobicContact CD2-CB 4.35Å; I166-C287 VanDerWaalsContact CG2-SG 3.55Å; S167-C287 CarbonylContact O-C 3.56Å; S167-C287 WeakPolarHBondContact O-CA 3.46Å; Y168-C287 HydrophobicContact CD1-CB 4.26Å; Y168-C287 HydrophobicContact CE1-CB 4.23Å; L181-C287 PolarHBondContact N-O 3.4Å; F182-C287 HydrophobicContact CD1-CB 4.13Å; F182-C287 HydrophobicContact CD2-CB 4.05Å; F182-C287 HydrophobicContact CE1-CB 3.83Å; F182-C287 HydrophobicContact CE2-CB 3.73Å; F182-C287 HydrophobicContact CG-CB 4.25Å; F182-C287 HydrophobicContact CZ-CB 3.62Å; F182-C287 PolarHBondContact O-N 3.11Å
288	Y	97.3	Very high	91.8	Very high	48 Å²	48	40 Å²	40	19%	0.188	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.9	-179.5	-62.8	-90.7	0	0	0	110.7	I166 S167 D170 V179 P180 T286	I166-Y288 VanDerWaalsContact CA-O 3.29Å; I166-Y288 WeakPolarHBondContact CA-O 3.47Å; S167-Y288 PolarHBondContact N-O 3.22Å; S167-Y288 PolarHBondContact O-N 2.63Å; D170-Y288 HydrophobicContact CB-CD2 4.22Å; D170-Y288 HydrophobicContact CB-CE1 4.33Å; D170-Y288 HydrophobicContact CB-CE2 3.98Å; V179-Y288 CarbonylContact O-C 3.52Å; V179-Y288 WeakPolarHBondContact O-CA 3.48Å; P180-Y288 HydrophobicContact CB-CD1 4.22Å; P180-Y288 HydrophobicContact CB-CE1 4.08Å; T286-Y288 HydrophobicContact CG2-CD1 4.42Å; T286-Y288 HydrophobicContact CG2-CD2 4.23Å; T286-Y288 HydrophobicContact CG2-CE1 3.91Å; T286-Y288 HydrophobicContact CG2-CE2 3.67Å; T286-Y288 VanDerWaalsContact CG2-CZ 3.49Å; T286-Y288 WeakPolarHBondContact O-CD2 3.32Å; T286-Y288 WeakPolarHBondContact O-CE2 3.39Å
289	L	97.7	Very high	91.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.6	157.9	177.9	66	0	0	0	107.7	F164 V165 I166 S178 V179 L181 W291 E305 L308 V309	F164-L289 HydrophobicContact CB-CD1 3.93Å; F164-L289 HydrophobicContact CD1-CD1 3.74Å; F164-L289 HydrophobicContact CD1-CD2 4.35Å; F164-L289 HydrophobicContact CD1-CG 4.13Å; F164-L289 HydrophobicContact CG-CD1 4.17Å; V165-L289 CarbonylContact O-C 3.5Å; V165-L289 WeakPolarHBondContact O-CA 3.31Å; I166-L289 HydrophobicContact CD1-CD1 4.25Å; I166-L289 HydrophobicContact CG1-CD1 3.67Å; S178-L289 CarbonylContact C-O 3.56Å; S178-L289 WeakPolarHBondContact CA-O 3.48Å; V179-L289 PolarHBondContact N-O 2.83Å; V179-L289 PolarHBondContact O-N 3.2Å; L181-L289 HydrophobicContact CD1-CB 3.98Å; L181-L289 HydrophobicContact CD2-CB 3.96Å; L181-L289 HydrophobicContact CG-CB 4.01Å; L289-W291 HydrophobicContact CD2-CE3 4.42Å; L289-W291 HydrophobicContact CD2-CZ3 4.03Å; L289-W291 HydrophobicContact CG-CE3 4.06Å; L289-W291 HydrophobicContact CG-CZ3 3.96Å; L289-E305 HydrophobicContact CD2-CG 4.06Å; L289-L308 HydrophobicContact CD1-CB 4.26Å; L289-L308 HydrophobicContact CD1-CD1 3.8Å; L289-L308 HydrophobicContact CD2-CB 3.94Å; L289-L308 HydrophobicContact CD2-CD1 4.49Å; L289-V309 HydrophobicContact CD2-CG2 3.78Å
290	S	96.9	Very high	91.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.3	-177.2	-56.2	0	0	0	0	112.5	F164 V165 F171 T177 S178	F164-S290 CarbonylContact C-O 3.58Å; F164-S290 WeakPolarHBondContact CA-O 3.37Å; V165-S290 PolarHBondContact N-O 2.79Å; V165-S290 PolarHBondContact O-N 3.26Å; F171-S290 VanDerWaalsContact CD2-CB 3.46Å; F171-S290 WeakPolarHBondContact CD2-OG 3.4Å; T177-S290 CarbonylContact O-C 3.6Å; T177-S290 WeakPolarHBondContact O-CA 3.49Å; S178-S290 PolarHBondContact OG-OG 3.5Å
291	W	95.4	Very high	91.1	Very high	11 Å²	11	40.3 Å²	40.3	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	171.7	177.4	64.5	97.7	0	0	0	110.9	E163 F164 F176 T177 V179 L289 H301 E305	E163-W291 VanDerWaalsContact O-CB 3.28Å; E163-W291 WeakPolarHBondContact O-CB 3.35Å; F164-W291 HydrophobicContact CD1-CB 3.88Å; F164-W291 HydrophobicContact CD1-CD2 4.44Å; F164-W291 HydrophobicContact CD1-CE3 4.17Å; F164-W291 HydrophobicContact CD1-CG 4.38Å; F164-W291 HydrophobicContact CE1-CB 4.13Å; F164-W291 HydrophobicContact CE1-CD2 4.21Å; F164-W291 HydrophobicContact CE1-CE3 4.17Å; F164-W291 HydrophobicContact CE1-CG 4.23Å; F176-W291 CarbonylContact C-O 3.52Å; F176-W291 VanDerWaalsContact CA-O 3.26Å; F176-W291 WeakPolarHBondContact CA-O 3.19Å; T177-W291 HydrophobicContact CG2-CH2 3.81Å; T177-W291 HydrophobicContact CG2-CZ2 3.5Å; T177-W291 VanDerWaalsContact CG2-CZ2 3.5Å; T177-W291 HydrophobicContact CG2-CZ3 4.48Å; T177-W291 PolarHBondContact N-O 3.27Å; T177-W291 PolarHBondContact O-N 2.59Å; V179-W291 HydrophobicContact CB-CH2 4.45Å; V179-W291 HydrophobicContact CB-CZ3 4.34Å; V179-W291 HydrophobicContact CG2-CH2 3.54Å; V179-W291 HydrophobicContact CG2-CZ3 3.88Å; L289-W291 HydrophobicContact CD2-CE3 4.42Å; L289-W291 HydrophobicContact CD2-CZ3 4.03Å; L289-W291 HydrophobicContact CG-CE3 4.06Å; L289-W291 HydrophobicContact CG-CZ3 3.96Å; W291-H301 AromaticContact CD1-CE1 3.36Å; W291-H301 AromaticContact CG-CE1 3.47Å; W291-H301 VanDerWaalsContact CG-CE1 3.47Å; W291-H301 AromaticContact NE1-CE1 3.97Å; W291-E305 VanDerWaalsContact CH2-CD 3.45Å; W291-E305 HydrophobicContact CH2-CG 3.82Å; W291-E305 VanDerWaalsContact CH2-OE1 3.28Å; W291-E305 WeakPolarHBondContact CH2-OE1 3.47Å; W291-E305 HydrophobicContact CZ2-CG 4.21Å; W291-E305 HydrophobicContact CZ3-CG 4.07Å
292	H	92.2	Very high	91.2	Very high	20 Å²	20	33.6 Å²	33.6	9%	0.093	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.2	174.4	-173.6	-84.4	0	0	0	111.2	L157 E175 F176 A294 A295	L157-H292 HydrophobicContact CB-CB 4.45Å; L157-H292 WeakPolarHBondContact O-CB 3.44Å; E175-H292 PolarHBondContact O-CD2 3.31Å; F176-H292 HydrophobicContact CD1-CB 4.05Å; F176-H292 HydrophobicContact CE1-CB 4.08Å; F176-H292 AromaticContact CE1-CD2 3.66Å; H292-A294 VanDerWaalsContact ND1-CB 3.28Å; H292-A294 WeakPolarHBondContact ND1-CB 3.33Å; H292-A294 PolarHBondContact ND1-N 2.94Å; H292-A294 VanDerWaalsContact ND1-N 3.18Å; H292-A294 PolarHBondContact O-N 3.2Å; H292-A295 WeakPolarHBondContact O-CB 3.46Å; H292-A295 PolarHBondContact O-N 3.25Å
293	E	88	Confident	91.3	Very high	73 Å²	73	30.6 Å²	30.6	34%	0.341	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-35	-175.4	-81.9	-75.4	163.6	0	0	113.9	E175 T177 A295 G296	E175-E293 PolarHBondContact O-N 3.45Å; T177-E293 PolarHBondContact OG1-OE1 2.93Å; E293-A295 VanDerWaalsContact C-N 3.3Å; E293-A295 PolarHBondContact O-N 3.29Å; E293-G296 PolarHBondContact O-N 3.46Å
294	A	80.9	Confident	91.5	Very high	2 Å²	2	27.6 Å²	27.6	2%	0.017	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-40.2	175.9	0	0	0	0	0	112.9	Q91 Q94 H292	Q91-A294 HydrophobicContact CB-CB 3.9Å; Q91-A294 HydrophobicContact CG-CB 4.16Å; Q94-A294 PolarHBondContact OE1-O 3.43Å; Q94-A294 VanDerWaalsContact OE1-O 3.05Å; H292-A294 VanDerWaalsContact ND1-CB 3.28Å; H292-A294 WeakPolarHBondContact ND1-CB 3.33Å; H292-A294 PolarHBondContact ND1-N 2.94Å; H292-A294 VanDerWaalsContact ND1-N 3.18Å; H292-A294 PolarHBondContact O-N 3.2Å
295	A	84.8	Confident	91.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-72.4	-32.9	-179	0	0	0	0	0	111.9	Q160 H292 E293 R297 D298 H301	Q160-A295 HydrophobicContact CG-CB 4.18Å; H292-A295 WeakPolarHBondContact O-CB 3.46Å; H292-A295 PolarHBondContact O-N 3.25Å; E293-A295 VanDerWaalsContact C-N 3.3Å; E293-A295 PolarHBondContact O-N 3.29Å; A295-R297 PolarHBondContact O-N 3.41Å; A295-D298 WeakPolarHBondContact O-CB 3.25Å; A295-D298 PolarHBondContact O-N 2.87Å; A295-H301 VanDerWaalsContact O-CB 3.31Å; A295-H301 WeakPolarHBondContact O-CB 3.02Å; A295-H301 VanDerWaalsContact O-CG 3.32Å; A295-H301 PolarHBondContact O-ND1 2.99Å
296	G	82.6	Confident	91.6	Very high	14 Å²	14	33.8 Å²	33.8	14%	0.144	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-64.7	-1.3	-178.8	0	0	0	0	0	115.4	E293 Q302	E293-G296 PolarHBondContact O-N 3.46Å; G296-Q302 WeakPolarHBondContact O-CG 3.3Å; G296-Q302 PolarHBondContact O-NE2 3.44Å
297	R	80.8	Confident	91.7	Very high	131 Å²	131	33.3 Å²	33.3	49%	0.494	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-90.6	-23.2	172.1	-61.3	-63.6	175.7	171.2	-4.8	112.8	L95 N98 A295	L95-R297 HydrophobicContact CD2-CB 4.02Å; L95-R297 HydrophobicContact CD2-CG 4.17Å; N98-R297 PolarHBondContact ND2-O 2.82Å; A295-R297 PolarHBondContact O-N 3.41Å
298	D	85.2	Confident	91.8	Very high	17 Å²	17	33.3 Å²	33.3	9%	0.091	15%	0.15	C	C	.	.	S	Bend	trans	-73.5	131.2	-179.6	163.4	72.8	0	0	0	111.2	Q94 R112 A295 G300 H301 Q302	Q94-D298 HydrophobicContact CG-CB 4.41Å; R112-D298 IonicContact CZ-OD2 2.99Å; R112-D298 IonicContact NH1-OD1 2.89Å; R112-D298 PolarHBondContact NH1-OD1 3.18Å; R112-D298 IonicContact NH1-OD2 3.59Å; R112-D298 PolarHBondContact NH1-OD2 3.26Å; R112-D298 IonicContact NH2-OD2 3.6Å; R112-D298 PolarHBondContact NH2-OD2 2.83Å; A295-D298 WeakPolarHBondContact O-CB 3.25Å; A295-D298 PolarHBondContact O-N 2.87Å; D298-G300 VanDerWaalsContact C-N 3.32Å; D298-G300 PolarHBondContact O-N 2.91Å; D298-G300 PolarHBondContact OD2-N 2.89Å; D298-H301 HydrophobicContact CB-CB 4.01Å; D298-H301 WeakPolarHBondContact O-CB 2.85Å; D298-H301 PolarHBondContact O-N 2.95Å; D298-H301 VanDerWaalsContact OD2-CB 3.26Å; D298-H301 WeakPolarHBondContact OD2-CB 3.48Å; D298-H301 PolarHBondContact OD2-N 3.21Å; D298-Q302 WeakPolarHBondContact O-CG 3.35Å; D298-Q302 PolarHBondContact O-N 3.23Å
299	K	88.1	Confident	91.8	Very high	73 Å²	73	32.4 Å²	32.4	32%	0.317	15%	0.15	S	C	.	.	H	α-helix	trans	-63.2	-35.4	-174.4	-73.3	170.7	-178.4	166.5	0	113.4	N98 S103 F105 W303	N98-K299 WeakPolarHBondContact O-CE 3.46Å; N98-K299 PolarHBondContact O-NZ 2.49Å; N98-K299 PolarHBondContact OD1-N 3.02Å; S103-K299 VanDerWaalsContact O-CD 3.23Å; S103-K299 WeakPolarHBondContact O-CD 3.44Å; S103-K299 PolarHBondContact O-NZ 3.24Å; S103-K299 PolarHBondContact OG-NZ 3.39Å; F105-K299 HydrophobicContact CB-CB 3.97Å; K299-W303 WeakPolarHBondContact O-CB 3.2Å; K299-W303 PolarHBondContact O-N 3.03Å
300	G	90.8	Very high	91.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-69.9	-36.2	176.5	0	0	0	0	0	112.7	F105 F114 D298 M304	F105-G300 VanDerWaalsContact CG-CA 3.43Å; F114-G300 WeakPolarHBondContact CE1-O 3.32Å; F114-G300 WeakPolarHBondContact CZ-O 3.44Å; D298-G300 VanDerWaalsContact C-N 3.32Å; D298-G300 PolarHBondContact O-N 2.91Å; D298-G300 PolarHBondContact OD2-N 2.89Å; G300-M304 WeakPolarHBondContact O-CB 3.27Å; G300-M304 PolarHBondContact O-N 3.44Å
301	H	92.5	Very high	91.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-48.8	171.7	-172.2	-80.3	0	0	0	110.9	E163 F164 W291 A295 D298 W303 M304 E305	E163-H301 PolarHBondContact O-NE2 3.28Å; F164-H301 AromaticContact CD1-NE2 3.98Å; F164-H301 AromaticContact CE1-CE1 3.19Å; F164-H301 WeakPolarHBondContact CE1-CE1 3.47Å; F164-H301 AromaticContact CE1-ND1 3.95Å; F164-H301 AromaticContact CE1-NE2 3.4Å; F164-H301 WeakPolarHBondContact CE1-NE2 2.96Å; F164-H301 AromaticContact CE2-CD2 3.56Å; F164-H301 AromaticContact CE2-CE1 3.91Å; F164-H301 AromaticContact CE2-NE2 3.43Å; F164-H301 WeakPolarHBondContact CE2-NE2 3.41Å; F164-H301 AromaticContact CZ-CD2 3.5Å; F164-H301 VanDerWaalsContact CZ-CD2 3.5Å; F164-H301 WeakPolarHBondContact CZ-CD2 3.49Å; F164-H301 AromaticContact CZ-CE1 3.09Å; F164-H301 WeakPolarHBondContact CZ-CE1 3.37Å; F164-H301 AromaticContact CZ-CG 3.71Å; F164-H301 AromaticContact CZ-ND1 3.49Å; F164-H301 WeakPolarHBondContact CZ-ND1 3.47Å; F164-H301 AromaticContact CZ-NE2 3.1Å; F164-H301 WeakPolarHBondContact CZ-NE2 3.49Å; F164-H301 WeakPolarHBondContact CZ-O 3.34Å; W291-H301 AromaticContact CD1-CE1 3.36Å; W291-H301 AromaticContact CG-CE1 3.47Å; W291-H301 VanDerWaalsContact CG-CE1 3.47Å; W291-H301 AromaticContact NE1-CE1 3.97Å; A295-H301 VanDerWaalsContact O-CB 3.31Å; A295-H301 WeakPolarHBondContact O-CB 3.02Å; A295-H301 VanDerWaalsContact O-CG 3.32Å; A295-H301 PolarHBondContact O-ND1 2.99Å; D298-H301 HydrophobicContact CB-CB 4.01Å; D298-H301 WeakPolarHBondContact O-CB 2.85Å; D298-H301 PolarHBondContact O-N 2.95Å; D298-H301 VanDerWaalsContact OD2-CB 3.26Å; D298-H301 WeakPolarHBondContact OD2-CB 3.48Å; D298-H301 PolarHBondContact OD2-N 3.21Å; H301-W303 VanDerWaalsContact C-N 3.35Å; H301-W303 PolarHBondContact O-N 3.17Å; H301-M304 PolarHBondContact O-N 3.15Å; H301-M304 VanDerWaalsContact O-N 3.11Å; H301-E305 PolarHBondContact O-N 2.96Å
302	Q	93.1	Very high	91.7	Very high	73 Å²	73	37.5 Å²	37.5	34%	0.341	19%	0.185	S	C	.	.	H	α-helix	trans	-57.4	-45.1	175.1	-70.9	172.8	-7	0	0	112.5	G296 D298 M304 E305 E306	G296-Q302 WeakPolarHBondContact O-CG 3.3Å; G296-Q302 PolarHBondContact O-NE2 3.44Å; D298-Q302 WeakPolarHBondContact O-CG 3.35Å; D298-Q302 PolarHBondContact O-N 3.23Å; Q302-M304 VanDerWaalsContact C-N 3.34Å; Q302-M304 PolarHBondContact O-N 3.11Å; Q302-E305 WeakPolarHBondContact O-CB 3.44Å; Q302-E305 PolarHBondContact O-N 3.34Å; Q302-E306 WeakPolarHBondContact O-CG 3.33Å; Q302-E306 PolarHBondContact O-N 3.36Å
303	W	95.1	Very high	91.6	Very high	33 Å²	33	43 Å²	43	13%	0.125	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-45.9	174.9	172.5	84.8	0	0	0	111.8	F105 P107 I134 I137 A138 I141 K299 H301 E306 Q307	F105-W303 HydrophobicContact CD1-CB 3.71Å; F105-W303 HydrophobicContact CD1-CD2 4.1Å; F105-W303 HydrophobicContact CD1-CE3 4.4Å; F105-W303 AromaticContact CD1-CG 3.78Å; F105-W303 HydrophobicContact CD1-CG 3.78Å; F105-W303 HydrophobicContact CE1-CB 3.85Å; F105-W303 AromaticContact CE1-CD2 3.4Å; F105-W303 HydrophobicContact CE1-CD2 3.4Å; F105-W303 AromaticContact CE1-CE3 3.37Å; F105-W303 HydrophobicContact CE1-CE3 3.37Å; F105-W303 AromaticContact CE1-CG 3.6Å; F105-W303 HydrophobicContact CE1-CG 3.6Å; F105-W303 HydrophobicContact CE1-CZ3 4.08Å; F105-W303 HydrophobicContact CZ-CD2 4.3Å; F105-W303 AromaticContact CZ-CE3 3.82Å; F105-W303 HydrophobicContact CZ-CE3 3.82Å; F105-W303 HydrophobicContact CZ-CZ3 4.25Å; P107-W303 HydrophobicContact CB-CH2 4.21Å; P107-W303 HydrophobicContact CB-CZ2 3.59Å; P107-W303 HydrophobicContact CG-CD2 4.13Å; P107-W303 HydrophobicContact CG-CG 4.27Å; P107-W303 HydrophobicContact CG-CZ2 3.89Å; P107-W303 VanDerWaalsContact CG-NE1 3.32Å; I134-W303 HydrophobicContact CD1-CH2 3.76Å; I134-W303 HydrophobicContact CD1-CZ3 4.18Å; I134-W303 HydrophobicContact CG2-CH2 4.45Å; I137-W303 HydrophobicContact CD1-CH2 4.2Å; I137-W303 HydrophobicContact CD1-CZ2 3.53Å; I137-W303 HydrophobicContact CG1-CH2 4.41Å; I137-W303 HydrophobicContact CG1-CZ2 3.98Å; A138-W303 HydrophobicContact CB-CH2 3.78Å; A138-W303 HydrophobicContact CB-CZ2 4.14Å; I141-W303 HydrophobicContact CD1-CE3 4.37Å; I141-W303 HydrophobicContact CD1-CH2 3.72Å; I141-W303 HydrophobicContact CD1-CZ3 3.54Å; K299-W303 WeakPolarHBondContact O-CB 3.2Å; K299-W303 PolarHBondContact O-N 3.03Å; H301-W303 VanDerWaalsContact C-N 3.35Å; H301-W303 PolarHBondContact O-N 3.17Å; W303-E306 PolarHBondContact O-N 3.46Å; W303-Q307 HydrophobicContact CD2-CG 4.04Å; W303-Q307 HydrophobicContact CE3-CG 4.36Å; W303-Q307 HydrophobicContact CH2-CG 4.07Å; W303-Q307 HydrophobicContact CZ2-CG 3.7Å; W303-Q307 HydrophobicContact CZ3-CG 4.38Å; W303-Q307 WeakPolarHBondContact O-CG 3.43Å; W303-Q307 PolarHBondContact O-N 3.09Å
304	M	96.7	Very high	91.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-40.4	178.4	-178.7	60.7	78.1	0	0	111.2	F114 I134 I141 V143 F164 G300 H301 Q302 E306 Q307 L308	F114-M304 HydrophobicContact CB-CE 3.9Å; F114-M304 HydrophobicContact CD1-CB 3.99Å; F114-M304 HydrophobicContact CD1-CE 4.03Å; F114-M304 HydrophobicContact CD1-CG 3.9Å; F114-M304 HydrophobicContact CD2-CE 3.39Å; F114-M304 HydrophobicContact CE1-CB 3.65Å; F114-M304 HydrophobicContact CE1-CE 4.38Å; F114-M304 HydrophobicContact CE1-CG 4.1Å; F114-M304 HydrophobicContact CE2-CE 3.8Å; F114-M304 HydrophobicContact CG-CE 3.51Å; F114-M304 HydrophobicContact CG-CG 4.3Å; F114-M304 HydrophobicContact CZ-CB 4.05Å; F114-M304 HydrophobicContact CZ-CE 4.26Å; I134-M304 HydrophobicContact CD1-CE 4.17Å; I134-M304 HydrophobicContact CD1-SD 3.94Å; I134-M304 HydrophobicContact CG1-CE 4.48Å; I134-M304 HydrophobicContact CG1-SD 4.44Å; I141-M304 HydrophobicContact CG2-CE 4.39Å; V143-M304 HydrophobicContact CG2-CE 4.17Å; F164-M304 HydrophobicContact CD2-CG 4.11Å; F164-M304 HydrophobicContact CE2-CB 3.86Å; F164-M304 HydrophobicContact CE2-CG 3.56Å; F164-M304 HydrophobicContact CZ-CB 4.23Å; F164-M304 HydrophobicContact CZ-CG 4.26Å; G300-M304 WeakPolarHBondContact O-CB 3.27Å; G300-M304 PolarHBondContact O-N 3.44Å; H301-M304 PolarHBondContact O-N 3.15Å; H301-M304 VanDerWaalsContact O-N 3.11Å; Q302-M304 VanDerWaalsContact C-N 3.34Å; Q302-M304 PolarHBondContact O-N 3.11Å; M304-E306 PolarHBondContact O-N 2.71Å; M304-Q307 PolarHBondContact O-N 3.21Å; M304-L308 HydrophobicContact CG-CD1 3.98Å; M304-L308 HydrophobicContact CG-CG 4.24Å; M304-L308 WeakPolarHBondContact O-CB 3.25Å; M304-L308 VanDerWaalsContact O-CG 3.24Å; M304-L308 WeakPolarHBondContact O-CG 3.43Å; M304-L308 PolarHBondContact O-N 2.87Å; M304-L308 HydrophobicContact SD-CD1 4.39Å; M304-L308 HydrophobicContact SD-CD2 4.41Å; M304-L308 HydrophobicContact SD-CG 4.12Å
305	E	97	Very high	91.8	Very high	45 Å²	45	49.5 Å²	49.5	21%	0.21	23%	0.231	C	C	.	.	H	α-helix	trans	-54.8	-51.5	172.9	-175.3	-154.6	151.1	0	0	110.7	F164 L289 W291 H301 Q302 Q307 L308 V309	F164-E305 HydrophobicContact CE1-CB 3.82Å; F164-E305 HydrophobicContact CE1-CG 4.23Å; F164-E305 HydrophobicContact CZ-CB 3.9Å; L289-E305 HydrophobicContact CD2-CG 4.06Å; W291-E305 VanDerWaalsContact CH2-CD 3.45Å; W291-E305 HydrophobicContact CH2-CG 3.82Å; W291-E305 VanDerWaalsContact CH2-OE1 3.28Å; W291-E305 WeakPolarHBondContact CH2-OE1 3.47Å; W291-E305 HydrophobicContact CZ2-CG 4.21Å; W291-E305 HydrophobicContact CZ3-CG 4.07Å; H301-E305 PolarHBondContact O-N 2.96Å; Q302-E305 WeakPolarHBondContact O-CB 3.44Å; Q302-E305 PolarHBondContact O-N 3.34Å; E305-Q307 VanDerWaalsContact C-N 3.31Å; E305-Q307 PolarHBondContact O-N 3.36Å; E305-L308 PolarHBondContact O-N 2.93Å; E305-V309 HydrophobicContact CG-CG2 4.5Å; E305-V309 WeakPolarHBondContact O-CG2 3.4Å; E305-V309 PolarHBondContact O-N 3.27Å
306	E	96.8	Very high	92.2	Very high	126 Å²	126	52 Å²	52	59%	0.589	24%	0.243	S	C	*	.	H	α-helix	trans	-58.4	-42.3	178.2	-71.9	175	178.3	0	0	111.9	Q302 W303 M304 S310	Q302-E306 WeakPolarHBondContact O-CG 3.33Å; Q302-E306 PolarHBondContact O-N 3.36Å; W303-E306 PolarHBondContact O-N 3.46Å; M304-E306 PolarHBondContact O-N 2.71Å; E306-S310 VanDerWaalsContact O-CB 3.28Å; E306-S310 WeakPolarHBondContact O-CB 3.5Å; E306-S310 PolarHBondContact O-N 3.21Å
307	Q	97.5	Very high	92.7	Very high	31 Å²	31	54.1 Å²	54.1	15%	0.145	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-49.2	174.9	-64.3	-43.5	-63	0	0	111.3	H133 I134 I137 W303 M304 E305 V309 S310 I311	H133-Q307 PolarHBondContact NE2-OE1 3.4Å; I134-Q307 HydrophobicContact CD1-CB 3.85Å; I134-Q307 HydrophobicContact CD1-CG 3.95Å; I137-Q307 HydrophobicContact CD1-CG 3.99Å; W303-Q307 HydrophobicContact CD2-CG 4.04Å; W303-Q307 HydrophobicContact CE3-CG 4.36Å; W303-Q307 HydrophobicContact CH2-CG 4.07Å; W303-Q307 HydrophobicContact CZ2-CG 3.7Å; W303-Q307 HydrophobicContact CZ3-CG 4.38Å; W303-Q307 WeakPolarHBondContact O-CG 3.43Å; W303-Q307 PolarHBondContact O-N 3.09Å; M304-Q307 PolarHBondContact O-N 3.21Å; E305-Q307 VanDerWaalsContact C-N 3.31Å; E305-Q307 PolarHBondContact O-N 3.36Å; Q307-V309 VanDerWaalsContact C-N 3.34Å; Q307-V309 PolarHBondContact O-N 2.82Å; Q307-S310 PolarHBondContact O-N 2.85Å; Q307-S310 VanDerWaalsContact O-N 3.17Å; Q307-I311 HydrophobicContact CB-CD1 4.27Å; Q307-I311 WeakPolarHBondContact O-CB 3.22Å; Q307-I311 VanDerWaalsContact O-CD1 3.24Å; Q307-I311 WeakPolarHBondContact O-CD1 3.33Å; Q307-I311 WeakPolarHBondContact O-CG1 3.49Å; Q307-I311 PolarHBondContact O-N 3.09Å
308	L	98.1	Very high	93.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-42.8	-179	-68.1	174.4	0	0	0	111.7	L116 I130 F164 I166 L289 M304 E305 I311 C312	L116-L308 HydrophobicContact CD1-CD1 4.36Å; L116-L308 HydrophobicContact CD1-CD2 3.91Å; L116-L308 HydrophobicContact CD2-CD1 4.11Å; I130-L308 HydrophobicContact CB-CD2 4.47Å; I130-L308 HydrophobicContact CD1-CD2 3.78Å; I130-L308 HydrophobicContact CG1-CD2 3.91Å; I130-L308 HydrophobicContact CG2-CD2 3.66Å; F164-L308 HydrophobicContact CB-CD1 4.05Å; F164-L308 HydrophobicContact CD1-CD1 4.07Å; F164-L308 HydrophobicContact CD2-CD1 3.85Å; F164-L308 HydrophobicContact CE1-CD1 4.44Å; F164-L308 HydrophobicContact CE2-CD1 4.26Å; F164-L308 HydrophobicContact CG-CD1 3.72Å; I166-L308 HydrophobicContact CD1-CD2 4.36Å; L289-L308 HydrophobicContact CD1-CB 4.26Å; L289-L308 HydrophobicContact CD1-CD1 3.8Å; L289-L308 HydrophobicContact CD2-CB 3.94Å; L289-L308 HydrophobicContact CD2-CD1 4.49Å; M304-L308 HydrophobicContact CG-CD1 3.98Å; M304-L308 HydrophobicContact CG-CG 4.24Å; M304-L308 WeakPolarHBondContact O-CB 3.25Å; M304-L308 VanDerWaalsContact O-CG 3.24Å; M304-L308 WeakPolarHBondContact O-CG 3.43Å; M304-L308 PolarHBondContact O-N 2.87Å; M304-L308 HydrophobicContact SD-CD1 4.39Å; M304-L308 HydrophobicContact SD-CD2 4.41Å; M304-L308 HydrophobicContact SD-CG 4.12Å; E305-L308 PolarHBondContact O-N 2.93Å; L308-I311 PolarHBondContact O-N 3.01Å; L308-C312 WeakPolarHBondContact O-CB 3.38Å; L308-C312 PolarHBondContact O-N 3.28Å; L308-C312 PolarHBondContact O-SG 3.4Å
309	V	97.7	Very high	93.9	Very high	30 Å²	30	51.6 Å²	51.6	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-47	174	173.5	0	0	0	0	110.3	L181 L289 E305 Q307 I311 C312 K313	L181-V309 HydrophobicContact CD2-CG2 4.23Å; L289-V309 HydrophobicContact CD2-CG2 3.78Å; E305-V309 HydrophobicContact CG-CG2 4.5Å; E305-V309 WeakPolarHBondContact O-CG2 3.4Å; E305-V309 PolarHBondContact O-N 3.27Å; Q307-V309 VanDerWaalsContact C-N 3.34Å; Q307-V309 PolarHBondContact O-N 2.82Å; V309-I311 VanDerWaalsContact C-N 3.33Å; V309-I311 PolarHBondContact O-N 3.07Å; V309-C312 PolarHBondContact O-N 3.49Å; V309-K313 HydrophobicContact CG1-CD 4.14Å; V309-K313 WeakPolarHBondContact O-CB 3.33Å; V309-K313 PolarHBondContact O-N 3.11Å
310	S	96.9	Very high	94.3	Very high	89 Å²	89	50.2 Å²	50.2	62%	0.622	24%	0.238	S	C	*	.	H	α-helix	trans	-62.6	-37.6	179.8	-174.4	0	0	0	0	113.2	E306 Q307	E306-S310 VanDerWaalsContact O-CB 3.28Å; E306-S310 WeakPolarHBondContact O-CB 3.5Å; E306-S310 PolarHBondContact O-N 3.21Å; Q307-S310 PolarHBondContact O-N 2.85Å; Q307-S310 VanDerWaalsContact O-N 3.17Å
311	I	96.5	Very high	94.6	Very high	29 Å²	29	53.7 Å²	53.7	15%	0.149	25%	0.254	C	S	.	.	H	α-helix	trans	-76.1	-42.5	-178.5	-64.6	158	0	0	0	110.6	Q129 I130 H133 Q307 L308 V309	Q129-I311 HydrophobicContact CB-CG2 3.93Å; I130-I311 HydrophobicContact CG1-CG2 4.05Å; H133-I311 HydrophobicContact CB-CD1 3.85Å; H133-I311 HydrophobicContact CB-CG1 4.15Å; H133-I311 WeakPolarHBondContact CD2-CD1 3.27Å; Q307-I311 HydrophobicContact CB-CD1 4.27Å; Q307-I311 WeakPolarHBondContact O-CB 3.22Å; Q307-I311 VanDerWaalsContact O-CD1 3.24Å; Q307-I311 WeakPolarHBondContact O-CD1 3.33Å; Q307-I311 WeakPolarHBondContact O-CG1 3.49Å; Q307-I311 PolarHBondContact O-N 3.09Å; L308-I311 PolarHBondContact O-N 3.01Å; V309-I311 VanDerWaalsContact C-N 3.33Å; V309-I311 PolarHBondContact O-N 3.07Å
312	C	95.3	Very high	94.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-95.8	-20.9	-166.5	-57.5	0	0	0	0	113.9	L126 L181 F182 L308 V309 R314	L126-C312 HydrophobicContact CD1-CB 4.47Å; L126-C312 HydrophobicContact CD2-CB 4.33Å; L181-C312 HydrophobicContact CD1-CB 3.74Å; L181-C312 HydrophobicContact CD2-CB 4.21Å; L181-C312 HydrophobicContact CG-CB 4.39Å; F182-C312 WeakPolarHBondContact CD1-O 3.33Å; F182-C312 WeakPolarHBondContact CE1-O 3.44Å; L308-C312 WeakPolarHBondContact O-CB 3.38Å; L308-C312 PolarHBondContact O-N 3.28Å; L308-C312 PolarHBondContact O-SG 3.4Å; V309-C312 PolarHBondContact O-N 3.49Å; C312-R314 PolarHBondContact O-N 3.4Å
313	K	90.1	Very high	94.8	Very high	136 Å²	136	56.6 Å²	56.6	59%	0.591	27%	0.268	S	S	*	.			trans	-68.4	124.9	-178.1	-167.4	170.7	-168	171.8	0	110.3	L181 V309	L181-K313 WeakPolarHBondContact O-CA 3.45Å; L181-K313 WeakPolarHBondContact O-CG 3.22Å; V309-K313 HydrophobicContact CG1-CD 4.14Å; V309-K313 WeakPolarHBondContact O-CB 3.33Å; V309-K313 PolarHBondContact O-N 3.11Å
314	R	80.5	Confident	94.8	Very high	160 Å²	160	58.7 Å²	58.7	60%	0.604	28%	0.281	S	S	*	.			trans	-124.6	0	-178.7	-63.4	178.2	-177	-173.8	0.7	110.8	I125 F182 C312	I125-R314 VanDerWaalsContact CD1-NH1 3.34Å; F182-R314 HydrophobicContact CB-CB 3.92Å; F182-R314 HydrophobicContact CD1-CG 4.5Å; F182-R314 HydrophobicContact CG-CB 4.34Å; C312-R314 PolarHBondContact O-N 3.4Å

Retrieved 314 of 314 residues in 859.2 ms (Link to these results)

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