A0A096NUK6_PAPAN Loading...

Myosin light chain 9

AlphaFold DB (Q5RBA4), UniProt , Accession A0A096NUK6, Species PAPAN (Papio anubis, Olive baboon), Gene MYL9, Length 172 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	44.8	Very low	240 Å²	240	161.2 Å²	161.2	100%	1.182	87%	0.865	S	S	*	*				0	128.2	0	-83.2	-71.3	-165.9	0	0	108.6
2	S	45.8	Very low	44.8	Very low	120 Å²	120	164.1 Å²	164.1	84%	0.839	86%	0.864	S	S	*	*			trans	66.9	136.3	166.3	-100.6	0	0	0	0	118
3	S	46.8	Very low	44.1	Very low	109 Å²	109	167.1 Å²	167.1	76%	0.762	87%	0.865	S	S	*	*			cis	-150.9	138.8	27	-67.3	0	0	0	0	112.6
4	K	44.5	Very low	43.8	Very low	209 Å²	209	170.7 Å²	170.7	91%	0.909	86%	0.862	S	S	*	*			trans	-67.6	139.3	162.8	-70.7	172.7	175.1	175.4	0	109.9
5	R	48.3	Very low	43.8	Very low	248 Å²	248	167.5 Å²	167.5	94%	0.936	86%	0.858	S	S	*	*			trans	-147.5	99.1	149.4	-129.9	176.1	176.7	-164.6	-1.7	109.5	K7	R5-K7 PolarHBondContact O-N 2.96Å
6	A	45.5	Very low	43.8	Very low	101 Å²	101	168.7 Å²	168.7	84%	0.835	86%	0.859	S	S	*	*			trans	-67.7	117.6	169.9	0	0	0	0	0	108.5	A8	A6-A8 PolarHBondContact O-N 3.02Å
7	K	46.2	Very low	43.8	Very low	205 Å²	205	171.1 Å²	171.1	89%	0.891	86%	0.855	S	S	*	*			trans	-72.6	105.5	168.1	-90.6	-179.9	173.6	175.5	0	107.9	R5 K9	R5-K7 PolarHBondContact O-N 2.96Å; K7-K9 PolarHBondContact O-N 3.03Å; K7-K9 VanDerWaalsContact O-N 3.13Å
8	A	43.8	Very low	44.3	Very low	90 Å²	90	166 Å²	166	74%	0.744	84%	0.844	S	S	*	*			trans	-57.8	112.5	164.7	0	0	0	0	0	108.4	A6 T10	A6-A8 PolarHBondContact O-N 3.02Å; A8-T10 PolarHBondContact O-N 3.3Å; A8-T10 VanDerWaalsContact O-N 3.14Å
9	K	43.4	Very low	44.7	Very low	196 Å²	196	160.2 Å²	160.2	85%	0.852	82%	0.817	S	S	*	*			trans	-74.7	97.3	168.3	-74.2	-178.4	176.6	179.8	0	106.9	K7 T11	K7-K9 PolarHBondContact O-N 3.03Å; K7-K9 VanDerWaalsContact O-N 3.13Å; K9-T11 PolarHBondContact O-N 3.39Å
10	T	43.9	Very low	45.3	Very low	127 Å²	127	156.6 Å²	156.6	78%	0.779	81%	0.807	S	S	*	*			trans	-63.6	102.8	164.5	37.8	0	0	0	0	107.6	A8 K12	A8-T10 PolarHBondContact O-N 3.3Å; A8-T10 VanDerWaalsContact O-N 3.14Å; T10-K12 VanDerWaalsContact C-N 3.26Å; T10-K12 PolarHBondContact O-N 2.72Å
11	T	44.2	Very low	46.5	Very low	128 Å²	128	154.7 Å²	154.7	79%	0.785	80%	0.799	S	S	*	*			trans	-65.9	91	166.3	37	0	0	0	0	107.3	K9 K13	K9-T11 PolarHBondContact O-N 3.39Å; T11-K13 PolarHBondContact O-N 3.22Å
12	K	44	Very low	48.2	Very low	196 Å²	196	143.5 Å²	143.5	85%	0.852	74%	0.743	S	S	*	*			trans	-51.2	111.4	164.1	-101.4	-174.7	174.9	-176.9	0	106.3	T10 R14	T10-K12 VanDerWaalsContact C-N 3.26Å; T10-K12 PolarHBondContact O-N 2.72Å; K12-R14 PolarHBondContact O-N 2.93Å
13	K	36.5	Very low	49.8	Very low	203 Å²	203	142 Å²	142	88%	0.883	72%	0.722	S	S	*	*			trans	-52.9	112.9	170.3	-73.7	-175.5	176.2	-178.5	0	106	T11	T11-K13 PolarHBondContact O-N 3.22Å
14	R	39.2	Very low	51.4	Low	218 Å²	218	141.1 Å²	141.1	82%	0.823	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-57.6	127.5	172.1	-83.5	176.1	155	179.1	-7.9	106.6	K12 Q16	K12-R14 PolarHBondContact O-N 2.93Å; R14-Q16 PolarHBondContact O-N 3.44Å
15	P	44.3	Very low	52.9	Low	122 Å²	122	135.7 Å²	135.7	79%	0.792	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-54.1	131.8	172.2	21.6	-29.5	0	0	0	107.7
16	Q	44.2	Very low	54.6	Low	187 Å²	187	124.6 Å²	124.6	87%	0.874	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-52.8	142.2	-176.2	-84.3	-179.8	-75.4	0	0	110	R14 A18	R14-Q16 PolarHBondContact O-N 3.44Å; Q16-A18 PolarHBondContact O-N 3.1Å
17	R	43.8	Very low	56.5	Low	210 Å²	210	123.7 Å²	123.7	79%	0.792	64%	0.64	S	S	*	*	S	Bend	trans	-67.2	53.4	-177.3	-65.8	174	166.3	176.7	-7	113	T19	R17-T19 PolarHBondContact O-N 2.97Å
18	A	51.9	Low	58.4	Low	79 Å²	79	122.1 Å²	122.1	65%	0.653	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-64.8	-24.9	168.9	0	0	0	0	0	111.2	Q16 S20	Q16-A18 PolarHBondContact O-N 3.1Å; A18-S20 VanDerWaalsContact C-N 3.32Å; A18-S20 PolarHBondContact O-N 3.16Å
19	T	53	Low	60.5	Low	55 Å²	55	121.2 Å²	121.2	34%	0.337	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-73.8	-13.2	-176	60.4	0	0	0	0	115.4	R17 N21 V22 T84	R17-T19 PolarHBondContact O-N 2.97Å; T19-N21 PolarHBondContact O-N 3.19Å; T19-V22 WeakPolarHBondContact O-CG1 3.34Å; T19-V22 PolarHBondContact O-N 3.3Å; T19-T84 HydrophobicContact CG2-CG2 3.94Å
20	S	55.6	Low	62.6	Low	89 Å²	89	115.2 Å²	115.2	62%	0.622	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-66	-20.4	-161.8	-164.7	0	0	0	0	114.8	A18	A18-S20 VanDerWaalsContact C-N 3.32Å; A18-S20 PolarHBondContact O-N 3.16Å
21	N	70.3	Confident	64.9	Low	117 Å²	117	110.9 Å²	110.9	63%	0.626	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-120.9	7.9	-177.7	-70.8	-8.8	0	0	0	113.9	T19 F23 A24	T19-N21 PolarHBondContact O-N 3.19Å; N21-F23 PolarHBondContact O-N 3.08Å; N21-A24 WeakPolarHBondContact O-CB 3.41Å; N21-A24 PolarHBondContact O-N 3Å
22	V	76.8	Confident	67.2	Low	4 Å²	4	109.1 Å²	109.1	2%	0.024	55%	0.554	C	S	.	*	G	3₁₀ helix	trans	-61.4	-35.2	-177.3	70.9	0	0	0	0	112.3	T19 A24 M25 F26 T84 L87	T19-V22 WeakPolarHBondContact O-CG1 3.34Å; T19-V22 PolarHBondContact O-N 3.3Å; V22-A24 PolarHBondContact O-N 2.98Å; V22-M25 HydrophobicContact CG2-SD 4.39Å; V22-M25 VanDerWaalsContact O-CB 3.24Å; V22-M25 WeakPolarHBondContact O-CB 3.45Å; V22-M25 PolarHBondContact O-N 3.37Å; V22-F26 HydrophobicContact CG2-CE2 4.18Å; V22-T84 HydrophobicContact CG1-CG2 4.1Å; V22-L87 HydrophobicContact CG1-CB 4.27Å; V22-L87 HydrophobicContact CG2-CB 3.92Å; V22-L87 VanDerWaalsContact CG2-O 3.29Å; V22-L87 WeakPolarHBondContact CG2-O 3.37Å
23	F	80	Confident	69.5	Low	90 Å²	90	106.1 Å²	106.1	40%	0.395	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-65.4	-21.2	175.9	-73.1	-85.9	0	0	0	113.8	N21 M25 I31 F83 T84 L87	N21-F23 PolarHBondContact O-N 3.08Å; F23-M25 VanDerWaalsContact C-N 3.26Å; F23-I31 HydrophobicContact CD1-CD1 4.16Å; F23-F83 HydrophobicContact CE1-CD1 4.45Å; F23-F83 HydrophobicContact CE1-CE1 4.04Å; F23-F83 HydrophobicContact CZ-CD1 4.34Å; F23-F83 HydrophobicContact CZ-CE1 4.37Å; F23-T84 HydrophobicContact CE2-CG2 4.16Å; F23-L87 HydrophobicContact CD1-CD1 3.74Å; F23-L87 HydrophobicContact CE1-CD1 3.36Å; F23-L87 HydrophobicContact CE2-CD1 4.35Å; F23-L87 HydrophobicContact CG-CD1 4.39Å; F23-L87 HydrophobicContact CZ-CD1 3.7Å
24	A	80.7	Confident	72.2	Confident	90 Å²	90	97.8 Å²	97.8	74%	0.744	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-79.6	-11.7	176.1	0	0	0	0	0	112.5	N21 V22 F26	N21-A24 WeakPolarHBondContact O-CB 3.41Å; N21-A24 PolarHBondContact O-N 3Å; V22-A24 PolarHBondContact O-N 2.98Å; A24-F26 VanDerWaalsContact C-N 3.31Å
25	M	75.6	Confident	74.8	Confident	94 Å²	94	92 Å²	92	46%	0.463	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-79.4	-16	178.8	-67.4	-176.5	175.4	0	0	113.5	V22 F23 N95	V22-M25 HydrophobicContact CG2-SD 4.39Å; V22-M25 VanDerWaalsContact O-CB 3.24Å; V22-M25 WeakPolarHBondContact O-CB 3.45Å; V22-M25 PolarHBondContact O-N 3.37Å; F23-M25 VanDerWaalsContact C-N 3.26Å; M25-N95 WeakPolarHBondContact CB-ND2 3.39Å; M25-N95 HydrophobicContact SD-CB 4.39Å
26	F	83.1	Confident	77.3	Confident	15 Å²	15	91.5 Å²	91.5	7%	0.066	47%	0.474	C	S	.	.	S	Bend	trans	-127.1	143.8	-172.2	-60.7	-66.7	0	0	0	110.3	V22 A24 Q30 I31 F34 L87 F90 G91 L94	V22-F26 HydrophobicContact CG2-CE2 4.18Å; A24-F26 VanDerWaalsContact C-N 3.31Å; F26-Q30 HydrophobicContact CB-CB 4.09Å; F26-Q30 HydrophobicContact CD1-CB 4.35Å; F26-I31 HydrophobicContact CB-CD1 4.28Å; F26-I31 HydrophobicContact CB-CG1 3.73Å; F26-F34 HydrophobicContact CD1-CD2 4.47Å; F26-F34 AromaticContact CD1-CE2 3.59Å; F26-F34 HydrophobicContact CD1-CE2 3.59Å; F26-F34 HydrophobicContact CD1-CZ 4.36Å; F26-F34 HydrophobicContact CD2-CE2 4.43Å; F26-F34 AromaticContact CE1-CE2 3.54Å; F26-F34 HydrophobicContact CE1-CE2 3.54Å; F26-F34 AromaticContact CE1-CZ 3.92Å; F26-F34 HydrophobicContact CE1-CZ 3.92Å; F26-F34 HydrophobicContact CE2-CE2 4.39Å; F26-F34 HydrophobicContact CG-CD2 4.5Å; F26-F34 HydrophobicContact CG-CE2 4.02Å; F26-F34 AromaticContact CZ-CE2 3.94Å; F26-F34 HydrophobicContact CZ-CE2 3.94Å; F26-F34 HydrophobicContact CZ-CZ 4.26Å; F26-L87 HydrophobicContact CD2-CD2 4.38Å; F26-L87 HydrophobicContact CE2-CB 4.43Å; F26-L87 HydrophobicContact CE2-CD2 4.38Å; F26-F90 HydrophobicContact CZ-CB 4.46Å; F26-G91 VanDerWaalsContact CZ-CA 3.5Å; F26-L94 HydrophobicContact CE1-CD1 3.72Å; F26-L94 HydrophobicContact CZ-CD1 4.19Å
27	D	85.4	Confident	79.6	Confident	83 Å²	83	84.4 Å²	84.4	44%	0.444	45%	0.447	S	S	.	.			trans	-75.6	171.9	169.6	69.7	41.5	0	0	0	111.8	S29 Q30 I31	D27-S29 VanDerWaalsContact C-N 3.3Å; D27-S29 VanDerWaalsContact CG-OG 3.31Å; D27-S29 PolarHBondContact O-N 2.76Å; D27-S29 WeakPolarHBondContact OD1-CA 3.44Å; D27-S29 WeakPolarHBondContact OD1-CB 3.5Å; D27-S29 PolarHBondContact OD1-N 3.08Å; D27-S29 PolarHBondContact OD1-OG 3.49Å; D27-Q30 PolarHBondContact O-N 2.95Å; D27-Q30 WeakPolarHBondContact OD1-CG 3.41Å; D27-Q30 PolarHBondContact OD1-N 3.48Å; D27-I31 WeakPolarHBondContact O-CD1 3.49Å; D27-I31 VanDerWaalsContact O-CG1 3.25Å; D27-I31 WeakPolarHBondContact O-CG1 3.21Å; D27-I31 PolarHBondContact O-N 3.2Å
28	Q	87.5	Confident	82.1	Confident	172 Å²	172	74.7 Å²	74.7	80%	0.804	41%	0.411	S	S	*	.	H	α-helix	trans	-65	-31.9	-177.1	-71.8	-172.4	-26.7	0	0	113.4	Q32	Q28-Q32 WeakPolarHBondContact O-CB 3.43Å; Q28-Q32 PolarHBondContact O-N 2.6Å; Q28-Q32 VanDerWaalsContact O-N 3.08Å
29	S	88.1	Confident	84.2	Confident	70 Å²	70	75.2 Å²	75.2	49%	0.49	40%	0.403	S	S	.	.	H	α-helix	trans	-67	-48.9	175.8	21.4	0	0	0	0	111	D27 I31 Q32 E33	D27-S29 VanDerWaalsContact C-N 3.3Å; D27-S29 VanDerWaalsContact CG-OG 3.31Å; D27-S29 PolarHBondContact O-N 2.76Å; D27-S29 WeakPolarHBondContact OD1-CA 3.44Å; D27-S29 WeakPolarHBondContact OD1-CB 3.5Å; D27-S29 PolarHBondContact OD1-N 3.08Å; D27-S29 PolarHBondContact OD1-OG 3.49Å; S29-I31 PolarHBondContact O-N 3.4Å; S29-Q32 WeakPolarHBondContact O-CB 3.32Å; S29-Q32 PolarHBondContact O-N 2.88Å; S29-Q32 VanDerWaalsContact O-N 3.1Å; S29-E33 PolarHBondContact O-N 3.37Å
30	Q	87.2	Confident	86.1	Confident	70 Å²	70	78.7 Å²	78.7	33%	0.327	42%	0.417	S	S	.	.	H	α-helix	trans	-59.7	-45.6	176.8	-69.3	176.9	-47	0	0	111.1	F26 D27 Q32 E33 F34	F26-Q30 HydrophobicContact CB-CB 4.09Å; F26-Q30 HydrophobicContact CD1-CB 4.35Å; D27-Q30 PolarHBondContact O-N 2.95Å; D27-Q30 WeakPolarHBondContact OD1-CG 3.41Å; D27-Q30 PolarHBondContact OD1-N 3.48Å; Q30-Q32 PolarHBondContact O-N 2.96Å; Q30-E33 PolarHBondContact O-N 3.08Å; Q30-F34 HydrophobicContact CB-CD2 4.41Å; Q30-F34 HydrophobicContact CB-CE2 4.12Å; Q30-F34 WeakPolarHBondContact O-CD2 3.12Å; Q30-F34 WeakPolarHBondContact O-CG 3.4Å; Q30-F34 PolarHBondContact O-N 2.9Å
31	I	91	Very high	88	Confident	37 Å²	37	75.6 Å²	75.6	19%	0.19	39%	0.393	C	S	.	.	H	α-helix	trans	-58.7	-39.5	176.5	-68.3	164.5	0	0	0	111	F23 F26 D27 S29 K35 F83	F23-I31 HydrophobicContact CD1-CD1 4.16Å; F26-I31 HydrophobicContact CB-CD1 4.28Å; F26-I31 HydrophobicContact CB-CG1 3.73Å; D27-I31 WeakPolarHBondContact O-CD1 3.49Å; D27-I31 VanDerWaalsContact O-CG1 3.25Å; D27-I31 WeakPolarHBondContact O-CG1 3.21Å; D27-I31 PolarHBondContact O-N 3.2Å; S29-I31 PolarHBondContact O-N 3.4Å; I31-K35 WeakPolarHBondContact O-CB 3.42Å; I31-K35 PolarHBondContact O-N 2.78Å; I31-F83 HydrophobicContact CG2-CE1 4.39Å; I31-F83 HydrophobicContact CG2-CZ 4.34Å
32	Q	92.6	Very high	89.3	Confident	91 Å²	91	70.3 Å²	70.3	43%	0.425	36%	0.364	S	S	.	.	H	α-helix	trans	-68.4	-42.5	178.5	-177.4	56.2	40.1	0	0	111.7	Q28 S29 Q30 K35 E36	Q28-Q32 WeakPolarHBondContact O-CB 3.43Å; Q28-Q32 PolarHBondContact O-N 2.6Å; Q28-Q32 VanDerWaalsContact O-N 3.08Å; S29-Q32 WeakPolarHBondContact O-CB 3.32Å; S29-Q32 PolarHBondContact O-N 2.88Å; S29-Q32 VanDerWaalsContact O-N 3.1Å; Q30-Q32 PolarHBondContact O-N 2.96Å; Q32-K35 WeakPolarHBondContact O-CB 3.25Å; Q32-K35 PolarHBondContact O-N 3.09Å; Q32-E36 PolarHBondContact NE2-OE1 3.23Å; Q32-E36 WeakPolarHBondContact O-CG 3.48Å; Q32-E36 PolarHBondContact O-N 3.48Å
33	E	93	Very high	90	Very high	132 Å²	132	75 Å²	75	62%	0.617	39%	0.386	S	S	*	.	H	α-helix	trans	-61.2	-46.4	173.9	-71.2	177	-171.1	0	0	111.7	S29 Q30 K35 E36 A37	S29-E33 PolarHBondContact O-N 3.37Å; Q30-E33 PolarHBondContact O-N 3.08Å; E33-K35 PolarHBondContact O-N 3.27Å; E33-E36 PolarHBondContact O-N 2.89Å; E33-E36 VanDerWaalsContact O-N 3.16Å; E33-A37 PolarHBondContact O-N 3.31Å
34	F	93.3	Very high	90.7	Very high	29 Å²	29	74.7 Å²	74.7	13%	0.127	39%	0.389	C	S	.	.	H	α-helix	trans	-61.2	-35.2	175.4	-72.2	-55.2	0	0	0	112.1	F26 Q30 A37 F38 F83 F86 L87 F90 L94	F26-F34 HydrophobicContact CD1-CD2 4.47Å; F26-F34 AromaticContact CD1-CE2 3.59Å; F26-F34 HydrophobicContact CD1-CE2 3.59Å; F26-F34 HydrophobicContact CD1-CZ 4.36Å; F26-F34 HydrophobicContact CD2-CE2 4.43Å; F26-F34 AromaticContact CE1-CE2 3.54Å; F26-F34 HydrophobicContact CE1-CE2 3.54Å; F26-F34 AromaticContact CE1-CZ 3.92Å; F26-F34 HydrophobicContact CE1-CZ 3.92Å; F26-F34 HydrophobicContact CE2-CE2 4.39Å; F26-F34 HydrophobicContact CG-CD2 4.5Å; F26-F34 HydrophobicContact CG-CE2 4.02Å; F26-F34 AromaticContact CZ-CE2 3.94Å; F26-F34 HydrophobicContact CZ-CE2 3.94Å; F26-F34 HydrophobicContact CZ-CZ 4.26Å; Q30-F34 HydrophobicContact CB-CD2 4.41Å; Q30-F34 HydrophobicContact CB-CE2 4.12Å; Q30-F34 WeakPolarHBondContact O-CD2 3.12Å; Q30-F34 WeakPolarHBondContact O-CG 3.4Å; Q30-F34 PolarHBondContact O-N 2.9Å; F34-A37 PolarHBondContact O-N 2.94Å; F34-F38 VanDerWaalsContact O-CB 3.3Å; F34-F38 WeakPolarHBondContact O-CB 3.49Å; F34-F38 PolarHBondContact O-N 2.65Å; F34-F83 HydrophobicContact CB-CE2 4.09Å; F34-F83 HydrophobicContact CB-CZ 4.32Å; F34-F86 HydrophobicContact CB-CE1 4.32Å; F34-F86 HydrophobicContact CD1-CE1 4.2Å; F34-L87 HydrophobicContact CB-CD2 3.51Å; F34-L87 HydrophobicContact CD2-CD2 3.53Å; F34-L87 HydrophobicContact CE2-CD2 4.42Å; F34-L87 HydrophobicContact CG-CD2 3.62Å; F34-F90 HydrophobicContact CD1-CD1 4.35Å; F34-F90 HydrophobicContact CD1-CG 4.21Å; F34-F90 HydrophobicContact CE1-CB 3.97Å; F34-F90 AromaticContact CE1-CD1 3.58Å; F34-F90 HydrophobicContact CE1-CD1 3.58Å; F34-F90 HydrophobicContact CE1-CD2 4.43Å; F34-F90 HydrophobicContact CE1-CE1 4.17Å; F34-F90 AromaticContact CE1-CG 3.72Å; F34-F90 HydrophobicContact CE1-CG 3.72Å; F34-F90 HydrophobicContact CZ-CB 4.2Å; F34-F90 HydrophobicContact CZ-CD1 4.34Å; F34-F90 HydrophobicContact CZ-CG 4.42Å; F34-L94 HydrophobicContact CZ-CD1 3.91Å
35	K	94.8	Very high	91.3	Very high	97 Å²	97	80.7 Å²	80.7	42%	0.422	39%	0.392	S	S	.	.	H	α-helix	trans	-68.4	-39.1	177.1	-171.8	177.8	-179.6	-177.7	0	111.7	I31 Q32 E33 F38 N39 F83	I31-K35 WeakPolarHBondContact O-CB 3.42Å; I31-K35 PolarHBondContact O-N 2.78Å; Q32-K35 WeakPolarHBondContact O-CB 3.25Å; Q32-K35 PolarHBondContact O-N 3.09Å; E33-K35 PolarHBondContact O-N 3.27Å; K35-F38 PolarHBondContact O-N 3.3Å; K35-N39 WeakPolarHBondContact O-CB 3.2Å; K35-N39 PolarHBondContact O-N 3.49Å; K35-N39 PolarHBondContact O-ND2 2.92Å; K35-N39 VanDerWaalsContact O-ND2 3.08Å; K35-F83 VanDerWaalsContact CA-CE2 3.46Å; K35-F83 HydrophobicContact CB-CE1 4.46Å; K35-F83 HydrophobicContact CB-CE2 3.95Å; K35-F83 HydrophobicContact CB-CZ 3.72Å; K35-F83 HydrophobicContact CG-CE2 4.49Å; K35-F83 HydrophobicContact CG-CZ 4.32Å
36	E	95.2	Very high	92.3	Very high	111 Å²	111	80.6 Å²	80.6	52%	0.519	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-43.9	174.3	-73.3	172.5	-160.7	0	0	111.4	Q32 E33 N39 M40	Q32-E36 PolarHBondContact NE2-OE1 3.23Å; Q32-E36 WeakPolarHBondContact O-CG 3.48Å; Q32-E36 PolarHBondContact O-N 3.48Å; E33-E36 PolarHBondContact O-N 2.89Å; E33-E36 VanDerWaalsContact O-N 3.16Å; E36-N39 PolarHBondContact O-N 3.44Å; E36-M40 PolarHBondContact O-N 3.42Å
37	A	93.6	Very high	93	Very high	37 Å²	37	81.3 Å²	81.3	31%	0.306	41%	0.405	S	S	.	.	H	α-helix	trans	-59.2	-49	172.9	0	0	0	0	0	111.3	E33 F34 N39 M40 I41 F86	E33-A37 PolarHBondContact O-N 3.31Å; F34-A37 PolarHBondContact O-N 2.94Å; A37-N39 VanDerWaalsContact C-N 3.34Å; A37-N39 PolarHBondContact O-N 3.5Å; A37-M40 WeakPolarHBondContact O-CB 3.47Å; A37-M40 PolarHBondContact O-N 3.43Å; A37-I41 WeakPolarHBondContact O-CG1 3.27Å; A37-I41 PolarHBondContact O-N 2.84Å; A37-I41 VanDerWaalsContact O-N 3.16Å; A37-F86 HydrophobicContact CB-CZ 4.36Å
38	F	96	Very high	93.5	Very high	7 Å²	7	81.6 Å²	81.6	3%	0.031	40%	0.402	C	S	.	.	H	α-helix	trans	-56.7	-47	178.1	-174.9	-87.2	0	0	0	111.9	F34 K35 M40 I41 D42 G47 I49 F83 F86	F34-F38 VanDerWaalsContact O-CB 3.3Å; F34-F38 WeakPolarHBondContact O-CB 3.49Å; F34-F38 PolarHBondContact O-N 2.65Å; K35-F38 PolarHBondContact O-N 3.3Å; F38-M40 PolarHBondContact O-N 2.86Å; F38-I41 PolarHBondContact O-N 3.05Å; F38-D42 HydrophobicContact CD1-CB 4.33Å; F38-D42 HydrophobicContact CE1-CB 3.97Å; F38-D42 WeakPolarHBondContact O-CB 3.43Å; F38-D42 PolarHBondContact O-N 2.85Å; F38-G47 WeakPolarHBondContact CZ-O 3.5Å; F38-I49 HydrophobicContact CD2-CD1 3.5Å; F38-I49 VanDerWaalsContact CD2-CD1 3.5Å; F38-I49 HydrophobicContact CD2-CG1 4.1Å; F38-I49 HydrophobicContact CE2-CD1 3.47Å; F38-I49 VanDerWaalsContact CE2-CD1 3.47Å; F38-I49 HydrophobicContact CE2-CG1 3.63Å; F38-I49 HydrophobicContact CG-CD1 4.33Å; F38-I49 HydrophobicContact CZ-CD1 4.27Å; F38-I49 HydrophobicContact CZ-CG1 3.96Å; F38-F83 HydrophobicContact CB-CD2 3.72Å; F38-F83 HydrophobicContact CB-CE2 4.1Å; F38-F83 HydrophobicContact CD1-CB 4.41Å; F38-F83 HydrophobicContact CD1-CD2 4.31Å; F38-F83 HydrophobicContact CD2-CB 4.33Å; F38-F83 AromaticContact CD2-CD2 3.96Å; F38-F83 HydrophobicContact CD2-CD2 3.96Å; F38-F83 HydrophobicContact CE1-CB 4.42Å; F38-F83 HydrophobicContact CE2-CB 4.31Å; F38-F83 HydrophobicContact CG-CB 4.38Å; F38-F83 AromaticContact CG-CD2 3.72Å; F38-F83 HydrophobicContact CG-CD2 3.72Å; F38-F83 HydrophobicContact CZ-CB 4.37Å; F38-F86 HydrophobicContact CB-CD1 4.29Å; F38-F86 HydrophobicContact CB-CE1 4.28Å; F38-F86 HydrophobicContact CD2-CB 3.73Å; F38-F86 HydrophobicContact CD2-CD1 4.08Å; F38-F86 AromaticContact CD2-CD2 3.98Å; F38-F86 HydrophobicContact CD2-CD2 3.98Å; F38-F86 AromaticContact CD2-CG 3.69Å; F38-F86 HydrophobicContact CD2-CG 3.69Å; F38-F86 HydrophobicContact CE2-CB 4.05Å; F38-F86 HydrophobicContact CE2-CG 4.41Å
39	N	94.8	Very high	94	Very high	89 Å²	89	73.7 Å²	73.7	48%	0.476	37%	0.366	S	S	.	.	H	α-helix	trans	-68.5	-19.8	178.4	-66	-26.5	0	0	0	113.6	K35 E36 A37	K35-N39 WeakPolarHBondContact O-CB 3.2Å; K35-N39 PolarHBondContact O-N 3.49Å; K35-N39 PolarHBondContact O-ND2 2.92Å; K35-N39 VanDerWaalsContact O-ND2 3.08Å; E36-N39 PolarHBondContact O-N 3.44Å; A37-N39 VanDerWaalsContact C-N 3.34Å; A37-N39 PolarHBondContact O-N 3.5Å
40	M	94.1	Very high	94.4	Very high	129 Å²	129	72.7 Å²	72.7	64%	0.635	36%	0.355	S	S	*	.	H	α-helix	trans	-78.3	-25.8	172.8	-170.3	-177.3	-57.6	0	0	111.3	E36 A37 F38 Q43	E36-M40 PolarHBondContact O-N 3.42Å; A37-M40 WeakPolarHBondContact O-CB 3.47Å; A37-M40 PolarHBondContact O-N 3.43Å; F38-M40 PolarHBondContact O-N 2.86Å; M40-Q43 PolarHBondContact O-NE2 2.91Å
41	I	95.8	Very high	94.8	Very high	23 Å²	23	71.7 Å²	71.7	12%	0.118	35%	0.349	C	S	.	.	H	α-helix	trans	-86.1	-51.9	177.3	-55.9	176.2	0	0	0	110.2	A37 F38 Q43 I49 D53 L54 M57 F86	A37-I41 WeakPolarHBondContact O-CG1 3.27Å; A37-I41 PolarHBondContact O-N 2.84Å; A37-I41 VanDerWaalsContact O-N 3.16Å; F38-I41 PolarHBondContact O-N 3.05Å; I41-Q43 VanDerWaalsContact C-N 3.3Å; I41-Q43 PolarHBondContact O-N 3.16Å; I41-I49 HydrophobicContact CB-CD1 3.81Å; I41-I49 HydrophobicContact CB-CG1 4.12Å; I41-I49 HydrophobicContact CD1-CD1 4.05Å; I41-I49 HydrophobicContact CG2-CB 4.24Å; I41-I49 HydrophobicContact CG2-CD1 3.67Å; I41-I49 HydrophobicContact CG2-CG1 3.72Å; I41-I49 HydrophobicContact CG2-CG2 3.54Å; I41-D53 HydrophobicContact CG2-CB 4.28Å; I41-D53 VanDerWaalsContact O-CB 3.32Å; I41-D53 WeakPolarHBondContact O-CB 3.44Å; I41-L54 HydrophobicContact CG2-CD2 3.93Å; I41-M57 HydrophobicContact CB-CE 4.04Å; I41-M57 HydrophobicContact CD1-CE 3.75Å; I41-M57 HydrophobicContact CG1-CE 3.45Å; I41-M57 VanDerWaalsContact CG1-CE 3.45Å; I41-M57 HydrophobicContact CG1-CG 4.43Å; I41-M57 HydrophobicContact CG1-SD 4.27Å; I41-M57 HydrophobicContact CG2-CE 3.63Å; I41-F86 HydrophobicContact CD1-CE2 3.84Å; I41-F86 HydrophobicContact CD1-CZ 4.22Å
42	D	96.6	Very high	95.1	Very high	6 Å²	6	75.6 Å²	75.6	3%	0.032	37%	0.367	C	S	.	.			trans	-67.4	82	177.5	176	9.3	0	0	0	110.5	F38 N44 R45 D46 G47 I49	F38-D42 HydrophobicContact CD1-CB 4.33Å; F38-D42 HydrophobicContact CE1-CB 3.97Å; F38-D42 WeakPolarHBondContact O-CB 3.43Å; F38-D42 PolarHBondContact O-N 2.85Å; D42-N44 PolarHBondContact OD1-OD1 3.49Å; D42-N44 VanDerWaalsContact OD1-OD1 3.08Å; D42-R45 WeakPolarHBondContact OD1-CA 3.4Å; D42-R45 PolarHBondContact OD1-N 2.8Å; D42-D46 PolarHBondContact OD1-N 3.22Å; D42-G47 VanDerWaalsContact OD2-CA 3.25Å; D42-G47 WeakPolarHBondContact OD2-CA 3.38Å; D42-G47 PolarHBondContact OD2-N 3.44Å; D42-I49 HydrophobicContact CB-CG1 4.38Å
43	Q	92.5	Very high	95.3	Very high	104 Å²	104	71.5 Å²	71.5	49%	0.486	35%	0.348	S	S	.	.	S	Bend	trans	-72.7	-35.6	-174.9	-73.1	-63.5	-52.1	0	0	110.9	M40 I41 R45 D53 D56	M40-Q43 PolarHBondContact O-NE2 2.91Å; I41-Q43 VanDerWaalsContact C-N 3.3Å; I41-Q43 PolarHBondContact O-N 3.16Å; Q43-R45 VanDerWaalsContact C-N 3.29Å; Q43-D53 PolarHBondContact N-OD1 2.87Å; Q43-D56 HydrophobicContact CG-CB 4.37Å
44	N	93.8	Very high	95.4	Very high	82 Å²	82	65.7 Å²	65.7	44%	0.439	32%	0.321	S	S	.	.	S	Bend	trans	-78.3	-15.1	-179.6	75.7	32	0	0	0	112.8	D42 D46 D53	D42-N44 PolarHBondContact OD1-OD1 3.49Å; D42-N44 VanDerWaalsContact OD1-OD1 3.08Å; N44-D46 WeakPolarHBondContact OD1-CB 3.25Å; N44-D46 PolarHBondContact OD1-N 2.9Å; N44-D46 PolarHBondContact OD1-OD1 3.07Å; N44-D53 PolarHBondContact N-OD1 2.83Å
45	R	93.8	Very high	95.5	Very high	216 Å²	216	67.5 Å²	67.5	82%	0.815	33%	0.33	S	S	*	.			trans	62.7	33.2	177.8	-55.4	-177.3	177.3	-172.4	-1.5	114.2	D42 Q43 G47	D42-R45 WeakPolarHBondContact OD1-CA 3.4Å; D42-R45 PolarHBondContact OD1-N 2.8Å; Q43-R45 VanDerWaalsContact C-N 3.29Å; R45-G47 VanDerWaalsContact C-N 3.31Å
46	D	96.9	Very high	95.5	Very high	93 Å²	93	66.9 Å²	66.9	50%	0.497	33%	0.331	S	S	.	.	S	Bend	trans	-85.3	-7.5	177.5	84.6	-2.8	0	0	0	113.1	D42 N44 F48	D42-D46 PolarHBondContact OD1-N 3.22Å; N44-D46 WeakPolarHBondContact OD1-CB 3.25Å; N44-D46 PolarHBondContact OD1-N 2.9Å; N44-D46 PolarHBondContact OD1-OD1 3.07Å; D46-F48 WeakPolarHBondContact OD1-CA 3.32Å; D46-F48 WeakPolarHBondContact OD1-CB 3.43Å; D46-F48 PolarHBondContact OD1-N 2.97Å; D46-F48 VanDerWaalsContact OD1-O 3.14Å
47	G	96.6	Very high	95.5	Very high	30 Å²	30	63 Å²	63	31%	0.309	31%	0.313	S	S	.	.	S	Bend	trans	89.5	7.6	179.9	0	0	0	0	0	114.3	F38 D42 R45	F38-G47 WeakPolarHBondContact CZ-O 3.5Å; D42-G47 VanDerWaalsContact OD2-CA 3.25Å; D42-G47 WeakPolarHBondContact OD2-CA 3.38Å; D42-G47 PolarHBondContact OD2-N 3.44Å; R45-G47 VanDerWaalsContact C-N 3.31Å
48	F	97.5	Very high	95.5	Very high	88 Å²	88	62.3 Å²	62.3	39%	0.386	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.7	174.2	-64.9	-93.8	0	0	0	109.7	D46 P80 I81 N82	D46-F48 WeakPolarHBondContact OD1-CA 3.32Å; D46-F48 WeakPolarHBondContact OD1-CB 3.43Å; D46-F48 PolarHBondContact OD1-N 2.97Å; D46-F48 VanDerWaalsContact OD1-O 3.14Å; F48-P80 HydrophobicContact CD1-CB 3.92Å; F48-P80 HydrophobicContact CE1-CB 3.99Å; F48-I81 CarbonylContact C-O 3.56Å; F48-I81 WeakPolarHBondContact CA-O 3.39Å; F48-N82 HydrophobicContact CD1-CB 3.92Å; F48-N82 HydrophobicContact CE1-CB 3.76Å; F48-N82 HydrophobicContact CZ-CB 4.35Å
49	I	97.2	Very high	95.4	Very high	7 Å²	7	64.1 Å²	64.1	4%	0.036	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.2	169	-65.4	169.1	0	0	0	107.5	F38 I41 D42 D53 L54 I81 F86	F38-I49 HydrophobicContact CD2-CD1 3.5Å; F38-I49 VanDerWaalsContact CD2-CD1 3.5Å; F38-I49 HydrophobicContact CD2-CG1 4.1Å; F38-I49 HydrophobicContact CE2-CD1 3.47Å; F38-I49 VanDerWaalsContact CE2-CD1 3.47Å; F38-I49 HydrophobicContact CE2-CG1 3.63Å; F38-I49 HydrophobicContact CG-CD1 4.33Å; F38-I49 HydrophobicContact CZ-CD1 4.27Å; F38-I49 HydrophobicContact CZ-CG1 3.96Å; I41-I49 HydrophobicContact CB-CD1 3.81Å; I41-I49 HydrophobicContact CB-CG1 4.12Å; I41-I49 HydrophobicContact CD1-CD1 4.05Å; I41-I49 HydrophobicContact CG2-CB 4.24Å; I41-I49 HydrophobicContact CG2-CD1 3.67Å; I41-I49 HydrophobicContact CG2-CG1 3.72Å; I41-I49 HydrophobicContact CG2-CG2 3.54Å; D42-I49 HydrophobicContact CB-CG1 4.38Å; I49-D53 HydrophobicContact CG2-CB 4.32Å; I49-L54 HydrophobicContact CG2-CD2 3.97Å; I49-L54 HydrophobicContact CG2-CG 3.93Å; I49-I81 HydrophobicContact CB-CB 4.12Å; I49-I81 HydrophobicContact CB-CG2 4.09Å; I49-I81 HydrophobicContact CD1-CG2 4.19Å; I49-I81 PolarHBondContact N-O 3.47Å; I49-F86 HydrophobicContact CD1-CD2 3.81Å; I49-F86 HydrophobicContact CD1-CE2 4.02Å
50	D	96.3	Very high	95.2	Very high	48 Å²	48	64.3 Å²	64.3	26%	0.257	33%	0.329	S	S	.	.			trans	-110.4	-175	171.4	68.7	25.7	0	0	0	112.7	E52 D53 L54	D50-E52 VanDerWaalsContact C-N 3.31Å; D50-E52 WeakPolarHBondContact OD1-CA 3.3Å; D50-E52 WeakPolarHBondContact OD1-CB 3.38Å; D50-E52 PolarHBondContact OD1-N 2.99Å; D50-E52 VanDerWaalsContact OD1-N 3.08Å; D50-D53 PolarHBondContact N-OD2 3.11Å; D50-D53 VanDerWaalsContact N-OD2 3.07Å; D50-D53 PolarHBondContact OD1-N 2.98Å; D50-L54 PolarHBondContact O-N 2.86Å
51	K	96.2	Very high	95.2	Very high	50 Å²	50	63.8 Å²	63.8	22%	0.217	33%	0.328	C	S	.	.	H	α-helix	trans	-69	-35.9	-175.6	-169.9	-172.2	169.9	-171.1	0	110.9	L54 H55 D67 L70 M74	K51-L54 PolarHBondContact O-N 3.26Å; K51-H55 WeakPolarHBondContact O-CB 2.98Å; K51-H55 PolarHBondContact O-N 3.02Å; K51-D67 WeakPolarHBondContact CE-OD1 3.45Å; K51-D67 IonicContact NZ-OD1 2.75Å; K51-D67 PolarHBondContact NZ-OD1 3.38Å; K51-L70 HydrophobicContact CD-CB 4.29Å; K51-L70 HydrophobicContact CG-CB 3.72Å; K51-L70 HydrophobicContact CG-CD1 4.17Å; K51-M74 HydrophobicContact CB-CG 4.32Å
52	E	96.2	Very high	95	Very high	119 Å²	119	66.1 Å²	66.1	56%	0.556	36%	0.357	S	S	*	.	H	α-helix	trans	-67.7	-42.4	178.7	-69.4	72.1	-172.9	0	0	110.9	D50 L54 H55 D56	D50-E52 VanDerWaalsContact C-N 3.31Å; D50-E52 WeakPolarHBondContact OD1-CA 3.3Å; D50-E52 WeakPolarHBondContact OD1-CB 3.38Å; D50-E52 PolarHBondContact OD1-N 2.99Å; D50-E52 VanDerWaalsContact OD1-N 3.08Å; E52-L54 PolarHBondContact O-N 3.48Å; E52-H55 WeakPolarHBondContact O-CB 3.25Å; E52-H55 PolarHBondContact O-N 2.86Å; E52-D56 WeakPolarHBondContact O-CB 3.49Å; E52-D56 PolarHBondContact O-N 2.91Å
53	D	97.1	Very high	94.9	Very high	4 Å²	4	72.5 Å²	72.5	2%	0.021	39%	0.385	C	S	.	.	H	α-helix	trans	-57.2	-46.4	172	-74.1	-42.9	0	0	0	112	I41 Q43 N44 I49 D50 D56 M57	I41-D53 HydrophobicContact CG2-CB 4.28Å; I41-D53 VanDerWaalsContact O-CB 3.32Å; I41-D53 WeakPolarHBondContact O-CB 3.44Å; Q43-D53 PolarHBondContact N-OD1 2.87Å; N44-D53 PolarHBondContact N-OD1 2.83Å; I49-D53 HydrophobicContact CG2-CB 4.32Å; D50-D53 PolarHBondContact N-OD2 3.11Å; D50-D53 VanDerWaalsContact N-OD2 3.07Å; D50-D53 PolarHBondContact OD1-N 2.98Å; D53-D56 PolarHBondContact O-N 3.08Å; D53-M57 VanDerWaalsContact O-CB 3.25Å; D53-M57 WeakPolarHBondContact O-CB 3.4Å; D53-M57 PolarHBondContact O-N 3.38Å
54	L	95.4	Very high	94.9	Very high	11 Å²	11	74.2 Å²	74.2	6%	0.058	40%	0.397	C	S	.	.	H	α-helix	trans	-64.1	-41.9	176.5	-70.1	179.1	0	0	0	112	I41 I49 D50 K51 E52 M57 L58 L70 M73 M74	I41-L54 HydrophobicContact CG2-CD2 3.93Å; I49-L54 HydrophobicContact CG2-CD2 3.97Å; I49-L54 HydrophobicContact CG2-CG 3.93Å; D50-L54 PolarHBondContact O-N 2.86Å; K51-L54 PolarHBondContact O-N 3.26Å; E52-L54 PolarHBondContact O-N 3.48Å; L54-M57 HydrophobicContact CD2-CE 3.64Å; L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.32Å; L54-L58 PolarHBondContact O-N 3.35Å; L54-L70 HydrophobicContact CB-CD2 3.71Å; L54-M73 HydrophobicContact CD1-CB 3.93Å; L54-M73 HydrophobicContact CD1-CE 4.12Å; L54-M73 HydrophobicContact CD1-SD 4.32Å; L54-M73 HydrophobicContact CD2-CE 3.87Å; L54-M74 HydrophobicContact CD1-CG 4.15Å; L54-M74 HydrophobicContact CD1-SD 3.56Å; L54-M74 VanDerWaalsContact CD1-SD 3.56Å; L54-M74 HydrophobicContact CG-SD 4.5Å
55	H	95.7	Very high	94.9	Very high	66 Å²	66	71.2 Å²	71.2	31%	0.306	38%	0.382	S	S	.	.	H	α-helix	trans	-59.3	-51.1	175.5	173.6	-84.9	0	0	0	110.9	K51 E52 M57 L58 A59 L70	K51-H55 WeakPolarHBondContact O-CB 2.98Å; K51-H55 PolarHBondContact O-N 3.02Å; E52-H55 WeakPolarHBondContact O-CB 3.25Å; E52-H55 PolarHBondContact O-N 2.86Å; H55-M57 PolarHBondContact O-N 3.42Å; H55-L58 PolarHBondContact O-N 3.25Å; H55-A59 VanDerWaalsContact O-CB 3.27Å; H55-A59 WeakPolarHBondContact O-CB 3.33Å; H55-A59 PolarHBondContact O-N 3.02Å; H55-L70 HydrophobicContact CB-CD1 3.79Å
56	D	94.9	Very high	95	Very high	85 Å²	85	64.8 Å²	64.8	46%	0.455	37%	0.367	S	S	.	.	H	α-helix	trans	-66.8	-39.7	-175.9	-73.6	-5.9	0	0	0	111.7	Q43 E52 D53 A59 S60	Q43-D56 HydrophobicContact CG-CB 4.37Å; E52-D56 WeakPolarHBondContact O-CB 3.49Å; E52-D56 PolarHBondContact O-N 2.91Å; D53-D56 PolarHBondContact O-N 3.08Å; D56-A59 PolarHBondContact O-N 2.97Å; D56-S60 WeakPolarHBondContact O-CB 3.36Å; D56-S60 PolarHBondContact O-N 2.82Å
57	M	94.5	Very high	95	Very high	29 Å²	29	65.1 Å²	65.1	14%	0.143	37%	0.369	C	S	.	.	H	α-helix	trans	-60.1	-49.5	173.1	-174.9	-121.4	-50.2	0	0	111.3	I41 D53 L54 H55 A59 S60 L61	I41-M57 HydrophobicContact CB-CE 4.04Å; I41-M57 HydrophobicContact CD1-CE 3.75Å; I41-M57 HydrophobicContact CG1-CE 3.45Å; I41-M57 VanDerWaalsContact CG1-CE 3.45Å; I41-M57 HydrophobicContact CG1-CG 4.43Å; I41-M57 HydrophobicContact CG1-SD 4.27Å; I41-M57 HydrophobicContact CG2-CE 3.63Å; D53-M57 VanDerWaalsContact O-CB 3.25Å; D53-M57 WeakPolarHBondContact O-CB 3.4Å; D53-M57 PolarHBondContact O-N 3.38Å; L54-M57 HydrophobicContact CD2-CE 3.64Å; H55-M57 PolarHBondContact O-N 3.42Å; M57-A59 PolarHBondContact O-N 2.9Å; M57-S60 WeakPolarHBondContact O-CB 3.48Å; M57-S60 PolarHBondContact O-N 2.95Å; M57-S60 PolarHBondContact O-OG 3.08Å; M57-L61 PolarHBondContact O-N 2.74Å
58	L	94.1	Very high	95	Very high	23 Å²	23	70.7 Å²	70.7	12%	0.12	39%	0.387	C	S	.	.	H	α-helix	trans	-66.4	-38.7	179	-72.2	171.6	0	0	0	112	L54 H55 S60 L61 G62 K63 P65 Y69 L70 M73	L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.32Å; L54-L58 PolarHBondContact O-N 3.35Å; H55-L58 PolarHBondContact O-N 3.25Å; L58-S60 VanDerWaalsContact C-N 3.31Å; L58-S60 PolarHBondContact O-N 3.26Å; L58-L61 CarbonylContact O-C 3.59Å; L58-L61 WeakPolarHBondContact O-CA 3.46Å; L58-L61 WeakPolarHBondContact O-CB 3.25Å; L58-L61 PolarHBondContact O-N 3.47Å; L58-L61 VanDerWaalsContact O-N 3.09Å; L58-G62 PolarHBondContact O-N 3.22Å; L58-K63 CarbonylContact C-O 3.52Å; L58-K63 VanDerWaalsContact C-O 3.22Å; L58-K63 HydrophobicContact CB-CB 4.17Å; L58-K63 WeakPolarHBondContact O-CA 3.46Å; L58-K63 WeakPolarHBondContact O-CB 3.29Å; L58-K63 PolarHBondContact O-N 3.24Å; L58-K63 VanDerWaalsContact O-O 3.07Å; L58-P65 HydrophobicContact CB-CG 3.88Å; L58-P65 HydrophobicContact CD1-CB 3.79Å; L58-P65 HydrophobicContact CD1-CG 3.77Å; L58-P65 HydrophobicContact CG-CG 4.49Å; L58-Y69 HydrophobicContact CD1-CD1 4.42Å; L58-Y69 HydrophobicContact CD1-CE1 3.93Å; L58-L70 HydrophobicContact CD1-CD2 3.98Å; L58-M73 HydrophobicContact CD1-SD 4.26Å
59	A	93.4	Very high	94.9	Very high	44 Å²	44	72.7 Å²	72.7	36%	0.364	39%	0.393	S	S	.	.	H	α-helix	trans	-60.3	-40	173.4	0	0	0	0	0	111.9	H55 D56 M57 L61 G62 K63	H55-A59 VanDerWaalsContact O-CB 3.27Å; H55-A59 WeakPolarHBondContact O-CB 3.33Å; H55-A59 PolarHBondContact O-N 3.02Å; D56-A59 PolarHBondContact O-N 2.97Å; M57-A59 PolarHBondContact O-N 2.9Å; A59-L61 PolarHBondContact O-N 3.47Å; A59-G62 WeakPolarHBondContact O-CA 3.47Å; A59-G62 PolarHBondContact O-N 3.29Å; A59-K63 WeakPolarHBondContact CA-O 3.43Å; A59-K63 PolarHBondContact N-O 2.87Å
60	S	91.5	Very high	94.8	Very high	93 Å²	93	72.4 Å²	72.4	65%	0.65	39%	0.391	S	S	*	.	H	α-helix	trans	-63.1	-28.1	175.4	83.9	0	0	0	0	113	D56 M57 L58 G62	D56-S60 WeakPolarHBondContact O-CB 3.36Å; D56-S60 PolarHBondContact O-N 2.82Å; M57-S60 WeakPolarHBondContact O-CB 3.48Å; M57-S60 PolarHBondContact O-N 2.95Å; M57-S60 PolarHBondContact O-OG 3.08Å; L58-S60 VanDerWaalsContact C-N 3.31Å; L58-S60 PolarHBondContact O-N 3.26Å; S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 3.45Å
61	L	92.4	Very high	94.8	Very high	119 Å²	119	75.5 Å²	75.5	62%	0.623	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	7	173.7	-60.9	176.1	0	0	0	113	M57 L58 A59 K63	M57-L61 PolarHBondContact O-N 2.74Å; L58-L61 CarbonylContact O-C 3.59Å; L58-L61 WeakPolarHBondContact O-CA 3.46Å; L58-L61 WeakPolarHBondContact O-CB 3.25Å; L58-L61 PolarHBondContact O-N 3.47Å; L58-L61 VanDerWaalsContact O-N 3.09Å; A59-L61 PolarHBondContact O-N 3.47Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 HydrophobicContact CB-CG 4.46Å; L61-K63 PolarHBondContact O-N 3.04Å
62	G	93.3	Very high	94.6	Very high	71 Å²	71	74.6 Å²	74.6	73%	0.732	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	16.8	-177.9	0	0	0	0	0	113.9	L58 A59 S60	L58-G62 PolarHBondContact O-N 3.22Å; A59-G62 WeakPolarHBondContact O-CA 3.47Å; A59-G62 PolarHBondContact O-N 3.29Å; S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 3.45Å
63	K	93.4	Very high	94.5	Very high	140 Å²	140	71.4 Å²	71.4	61%	0.609	40%	0.395	S	S	*	.			trans	-96.4	137.8	173.2	-56.4	-63	-174.9	175.3	0	108.9	L58 A59 L61 P65	L58-K63 CarbonylContact C-O 3.52Å; L58-K63 VanDerWaalsContact C-O 3.22Å; L58-K63 HydrophobicContact CB-CB 4.17Å; L58-K63 WeakPolarHBondContact O-CA 3.46Å; L58-K63 WeakPolarHBondContact O-CB 3.29Å; L58-K63 PolarHBondContact O-N 3.24Å; L58-K63 VanDerWaalsContact O-O 3.07Å; A59-K63 WeakPolarHBondContact CA-O 3.43Å; A59-K63 PolarHBondContact N-O 2.87Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 HydrophobicContact CB-CG 4.46Å; L61-K63 PolarHBondContact O-N 3.04Å; K63-P65 VanDerWaalsContact O-CD 3.25Å; K63-P65 WeakPolarHBondContact O-CD 3.37Å
64	N	93.2	Very high	94.3	Very high	141 Å²	141	73.4 Å²	73.4	75%	0.754	41%	0.405	S	S	*	.			trans	-111.7	84.9	173.8	-169.9	69	0	0	0	108.8
65	P	94	Very high	94.2	Very high	19 Å²	19	77.1 Å²	77.1	12%	0.123	43%	0.431	C	S	.	.			trans	-67.3	150.7	-176.9	30.7	-36.7	0	0	0	111.3	L58 K63 Y69 L70	L58-P65 HydrophobicContact CB-CG 3.88Å; L58-P65 HydrophobicContact CD1-CB 3.79Å; L58-P65 HydrophobicContact CD1-CG 3.77Å; L58-P65 HydrophobicContact CG-CG 4.49Å; K63-P65 VanDerWaalsContact O-CD 3.25Å; K63-P65 WeakPolarHBondContact O-CD 3.37Å; P65-Y69 HydrophobicContact CB-CD1 3.79Å; P65-Y69 HydrophobicContact CB-CE1 4.45Å; P65-L70 HydrophobicContact CB-CD1 4.41Å; P65-L70 HydrophobicContact CB-CD2 3.98Å; P65-L70 HydrophobicContact CB-CG 3.98Å; P65-L70 HydrophobicContact CG-CD1 4.08Å; P65-L70 HydrophobicContact CG-CD2 3.88Å; P65-L70 HydrophobicContact CG-CG 4.08Å
66	T	95.8	Very high	93.9	Very high	80 Å²	80	80.9 Å²	80.9	49%	0.491	45%	0.449	S	S	.	.			trans	-82.9	158.7	171.2	72.6	0	0	0	0	110.6	E68 Y69 L70	T66-E68 WeakPolarHBondContact CB-OE2 3.29Å; T66-E68 PolarHBondContact O-N 2.98Å; T66-E68 PolarHBondContact OG1-OE2 2.97Å; T66-Y69 WeakPolarHBondContact O-CB 3.46Å; T66-Y69 PolarHBondContact O-N 3.39Å; T66-Y69 VanDerWaalsContact O-N 3.13Å; T66-Y69 PolarHBondContact OG1-N 3.22Å; T66-L70 WeakPolarHBondContact O-CG 3.32Å; T66-L70 PolarHBondContact O-N 3.06Å; T66-L70 VanDerWaalsContact O-N 3.11Å
67	D	96	Very high	93.5	Very high	101 Å²	101	77.5 Å²	77.5	54%	0.54	43%	0.433	S	S	.	.	H	α-helix	trans	-58.1	-37.4	176.4	-85.6	-29.2	0	0	0	112.3	K51 L70 E71	K51-D67 WeakPolarHBondContact CE-OD1 3.45Å; K51-D67 IonicContact NZ-OD1 2.75Å; K51-D67 PolarHBondContact NZ-OD1 3.38Å; D67-L70 PolarHBondContact O-N 3.29Å; D67-E71 WeakPolarHBondContact O-CB 3.39Å; D67-E71 PolarHBondContact O-N 2.99Å
68	E	96.9	Very high	93.1	Very high	146 Å²	146	81.5 Å²	81.5	68%	0.682	46%	0.461	S	S	*	.	H	α-helix	trans	-67.6	-36.3	177.8	-59.3	77.8	-169.2	0	0	112.3	T66 G72	T66-E68 WeakPolarHBondContact CB-OE2 3.29Å; T66-E68 PolarHBondContact O-N 2.98Å; T66-E68 PolarHBondContact OG1-OE2 2.97Å; E68-G72 PolarHBondContact O-N 2.75Å
69	Y	94.6	Very high	92.9	Very high	131 Å²	131	81.8 Å²	81.8	51%	0.514	47%	0.469	S	S	.	.	H	α-helix	trans	-66.5	-45.6	176.5	177.7	-102.6	0	0	0	111	L58 P65 T66 G72 M73	L58-Y69 HydrophobicContact CD1-CD1 4.42Å; L58-Y69 HydrophobicContact CD1-CE1 3.93Å; P65-Y69 HydrophobicContact CB-CD1 3.79Å; P65-Y69 HydrophobicContact CB-CE1 4.45Å; T66-Y69 WeakPolarHBondContact O-CB 3.46Å; T66-Y69 PolarHBondContact O-N 3.39Å; T66-Y69 VanDerWaalsContact O-N 3.13Å; T66-Y69 PolarHBondContact OG1-N 3.22Å; Y69-G72 PolarHBondContact O-N 3.33Å; Y69-M73 HydrophobicContact CD1-SD 4.02Å; Y69-M73 HydrophobicContact CE1-CG 4.25Å; Y69-M73 HydrophobicContact CE1-SD 3.45Å; Y69-M73 WeakPolarHBondContact CE1-SD 3.5Å; Y69-M73 WeakPolarHBondContact O-CG 3.38Å; Y69-M73 PolarHBondContact O-N 3.05Å
70	L	95.9	Very high	92.9	Very high	1 Å²	1	84.2 Å²	84.2	1%	0.005	48%	0.481	C	S	.	.	H	α-helix	trans	-64.3	-41.6	177	-65.2	170.2	0	0	0	111.8	K51 L54 H55 L58 P65 T66 D67 G72 M73 M74	K51-L70 HydrophobicContact CD-CB 4.29Å; K51-L70 HydrophobicContact CG-CB 3.72Å; K51-L70 HydrophobicContact CG-CD1 4.17Å; L54-L70 HydrophobicContact CB-CD2 3.71Å; H55-L70 HydrophobicContact CB-CD1 3.79Å; L58-L70 HydrophobicContact CD1-CD2 3.98Å; P65-L70 HydrophobicContact CB-CD1 4.41Å; P65-L70 HydrophobicContact CB-CD2 3.98Å; P65-L70 HydrophobicContact CB-CG 3.98Å; P65-L70 HydrophobicContact CG-CD1 4.08Å; P65-L70 HydrophobicContact CG-CD2 3.88Å; P65-L70 HydrophobicContact CG-CG 4.08Å; T66-L70 WeakPolarHBondContact O-CG 3.32Å; T66-L70 PolarHBondContact O-N 3.06Å; T66-L70 VanDerWaalsContact O-N 3.11Å; D67-L70 PolarHBondContact O-N 3.29Å; L70-G72 VanDerWaalsContact C-N 3.28Å; L70-G72 PolarHBondContact O-N 3.38Å; L70-M73 WeakPolarHBondContact O-CB 3.42Å; L70-M73 PolarHBondContact O-N 3.13Å; L70-M74 WeakPolarHBondContact O-CG 3.24Å; L70-M74 PolarHBondContact O-N 3.11Å
71	E	95.3	Very high	93.1	Very high	112 Å²	112	80.2 Å²	80.2	52%	0.523	45%	0.453	S	S	.	.	H	α-helix	trans	-61.9	-39.5	174.3	-168.8	66.1	-159.9	0	0	111.2	D67 M73 M74 S75	D67-E71 WeakPolarHBondContact O-CB 3.39Å; D67-E71 PolarHBondContact O-N 2.99Å; E71-M73 PolarHBondContact O-N 3.21Å; E71-M74 PolarHBondContact O-N 3.48Å; E71-S75 WeakPolarHBondContact O-CB 3.34Å; E71-S75 PolarHBondContact O-N 2.91Å
72	G	94	Very high	93.3	Very high	31 Å²	31	77.2 Å²	77.2	32%	0.32	44%	0.437	S	S	.	.	H	α-helix	trans	-55.4	-50.3	171.7	0	0	0	0	0	111.9	E68 Y69 L70 M74 S75 E76	E68-G72 PolarHBondContact O-N 2.75Å; Y69-G72 PolarHBondContact O-N 3.33Å; L70-G72 VanDerWaalsContact C-N 3.28Å; L70-G72 PolarHBondContact O-N 3.38Å; G72-M74 PolarHBondContact O-N 3.22Å; G72-S75 PolarHBondContact O-N 3.03Å; G72-S75 PolarHBondContact O-OG 2.92Å; G72-E76 PolarHBondContact O-N 3.14Å
73	M	92.2	Very high	93.4	Very high	53 Å²	53	75.8 Å²	75.8	26%	0.261	41%	0.411	S	S	.	.	H	α-helix	trans	-60.1	-44.9	176.5	-65.2	178.4	70.6	0	0	112.2	L54 L58 Y69 L70 E71 S75 E76	L54-M73 HydrophobicContact CD1-CB 3.93Å; L54-M73 HydrophobicContact CD1-CE 4.12Å; L54-M73 HydrophobicContact CD1-SD 4.32Å; L54-M73 HydrophobicContact CD2-CE 3.87Å; L58-M73 HydrophobicContact CD1-SD 4.26Å; Y69-M73 HydrophobicContact CD1-SD 4.02Å; Y69-M73 HydrophobicContact CE1-CG 4.25Å; Y69-M73 HydrophobicContact CE1-SD 3.45Å; Y69-M73 WeakPolarHBondContact CE1-SD 3.5Å; Y69-M73 WeakPolarHBondContact O-CG 3.38Å; Y69-M73 PolarHBondContact O-N 3.05Å; L70-M73 WeakPolarHBondContact O-CB 3.42Å; L70-M73 PolarHBondContact O-N 3.13Å; E71-M73 PolarHBondContact O-N 3.21Å; M73-S75 VanDerWaalsContact C-N 3.26Å; M73-S75 PolarHBondContact O-N 3.13Å; M73-E76 PolarHBondContact O-N 3.3Å
74	M	94.1	Very high	93.3	Very high	46 Å²	46	71.1 Å²	71.1	23%	0.227	39%	0.394	C	S	.	.	H	α-helix	trans	-65.3	-30.7	178.7	-68.7	-55.3	-62.2	0	0	112.5	K51 L54 L70 E71 G72 E76 A77 I81	K51-M74 HydrophobicContact CB-CG 4.32Å; L54-M74 HydrophobicContact CD1-CG 4.15Å; L54-M74 HydrophobicContact CD1-SD 3.56Å; L54-M74 VanDerWaalsContact CD1-SD 3.56Å; L54-M74 HydrophobicContact CG-SD 4.5Å; L70-M74 WeakPolarHBondContact O-CG 3.24Å; L70-M74 PolarHBondContact O-N 3.11Å; E71-M74 PolarHBondContact O-N 3.48Å; G72-M74 PolarHBondContact O-N 3.22Å; M74-E76 VanDerWaalsContact C-N 3.28Å; M74-E76 PolarHBondContact O-N 3.01Å; M74-A77 PolarHBondContact O-N 2.75Å; M74-I81 HydrophobicContact CE-CD1 3.9Å; M74-I81 HydrophobicContact CE-CG1 4.42Å; M74-I81 HydrophobicContact SD-CD1 3.95Å
75	S	92.7	Very high	93.3	Very high	88 Å²	88	65.9 Å²	65.9	62%	0.615	37%	0.366	S	S	*	.	H	α-helix	trans	-73.3	-16.4	179.7	77.2	0	0	0	0	114.2	E71 G72 M73 A77	E71-S75 WeakPolarHBondContact O-CB 3.34Å; E71-S75 PolarHBondContact O-N 2.91Å; G72-S75 PolarHBondContact O-N 3.03Å; G72-S75 PolarHBondContact O-OG 2.92Å; M73-S75 VanDerWaalsContact C-N 3.26Å; M73-S75 PolarHBondContact O-N 3.13Å; S75-A77 VanDerWaalsContact C-N 3.25Å; S75-A77 PolarHBondContact O-N 3.3Å
76	E	88.8	Confident	93.2	Very high	146 Å²	146	65.5 Å²	65.5	68%	0.682	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-27.5	174.7	-62.9	-170.7	174.3	0	0	111.9	G72 M73 M74	G72-E76 PolarHBondContact O-N 3.14Å; M73-E76 PolarHBondContact O-N 3.3Å; M74-E76 VanDerWaalsContact C-N 3.28Å; M74-E76 PolarHBondContact O-N 3.01Å
77	A	87.7	Confident	93	Very high	13 Å²	13	61.7 Å²	61.7	11%	0.107	34%	0.339	C	S	.	.	S	Bend	trans	-82.2	130.9	178.2	0	0	0	0	0	110.9	M74 S75 G79 I81 M89	M74-A77 PolarHBondContact O-N 2.75Å; S75-A77 VanDerWaalsContact C-N 3.25Å; S75-A77 PolarHBondContact O-N 3.3Å; A77-G79 WeakPolarHBondContact CB-O 3.48Å; A77-G79 PolarHBondContact O-N 3.36Å; A77-I81 HydrophobicContact CB-CD1 3.75Å; A77-I81 HydrophobicContact CB-CG1 3.48Å; A77-I81 VanDerWaalsContact CB-CG1 3.48Å; A77-M89 HydrophobicContact CB-SD 3.78Å
78	P	86	Confident	92.5	Very high	113 Å²	113	57.5 Å²	57.5	73%	0.734	32%	0.317	S	S	*	.	S	Bend	trans	-70.6	-0.6	177.4	29.8	-36.1	0	0	0	113.5	M85	P78-M85 HydrophobicContact CG-CE 3.85Å; P78-M85 HydrophobicContact CG-SD 3.74Å
79	G	90.3	Very high	92	Very high	29 Å²	29	52.6 Å²	52.6	30%	0.299	30%	0.295	S	S	.	.	S	Bend	trans	-179.9	-169.8	-179.8	0	0	0	0	0	111.9	A77 I81	A77-G79 WeakPolarHBondContact CB-O 3.48Å; A77-G79 PolarHBondContact O-N 3.36Å; G79-I81 PolarHBondContact O-N 2.93Å
80	P	93.7	Very high	91.5	Very high	95 Å²	95	50.2 Å²	50.2	62%	0.617	29%	0.287	S	S	*	.			trans	-55.3	132.2	-177.9	-25.7	34.5	0	0	0	113	F48 N82	F48-P80 HydrophobicContact CD1-CB 3.92Å; F48-P80 HydrophobicContact CE1-CB 3.99Å; P80-N82 PolarHBondContact O-N 3.29Å; P80-N82 VanDerWaalsContact O-N 3.08Å
81	I	95.4	Very high	90.7	Very high	9 Å²	9	50.2 Å²	50.2	5%	0.046	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	81	-172.6	-50.8	175.5	0	0	0	109.8	F48 I49 M74 A77 G79 F86	F48-I81 CarbonylContact C-O 3.56Å; F48-I81 WeakPolarHBondContact CA-O 3.39Å; I49-I81 HydrophobicContact CB-CB 4.12Å; I49-I81 HydrophobicContact CB-CG2 4.09Å; I49-I81 HydrophobicContact CD1-CG2 4.19Å; I49-I81 PolarHBondContact N-O 3.47Å; M74-I81 HydrophobicContact CE-CD1 3.9Å; M74-I81 HydrophobicContact CE-CG1 4.42Å; M74-I81 HydrophobicContact SD-CD1 3.95Å; A77-I81 HydrophobicContact CB-CD1 3.75Å; A77-I81 HydrophobicContact CB-CG1 3.48Å; A77-I81 VanDerWaalsContact CB-CG1 3.48Å; G79-I81 PolarHBondContact O-N 2.93Å; I81-F86 HydrophobicContact CG2-CB 4.27Å; I81-F86 HydrophobicContact CG2-CD2 4.44Å
82	N	96.1	Very high	89.7	Confident	56 Å²	56	50.2 Å²	50.2	30%	0.299	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	173.9	162.7	63.6	38.2	0	0	0	110.7	F48 P80 T84 M85 F86	F48-N82 HydrophobicContact CD1-CB 3.92Å; F48-N82 HydrophobicContact CE1-CB 3.76Å; F48-N82 HydrophobicContact CZ-CB 4.35Å; P80-N82 PolarHBondContact O-N 3.29Å; P80-N82 VanDerWaalsContact O-N 3.08Å; N82-T84 PolarHBondContact O-N 3.21Å; N82-T84 VanDerWaalsContact O-N 3.11Å; N82-T84 WeakPolarHBondContact OD1-CA 3.49Å; N82-T84 WeakPolarHBondContact OD1-CB 3.48Å; N82-T84 PolarHBondContact OD1-N 3Å; N82-M85 WeakPolarHBondContact O-CB 3.45Å; N82-M85 PolarHBondContact O-N 3.5Å; N82-M85 PolarHBondContact OD1-N 2.7Å; N82-F86 PolarHBondContact O-N 3.44Å
83	F	95.3	Very high	88.6	Confident	41 Å²	41	57.5 Å²	57.5	18%	0.18	31%	0.31	C	S	.	.	H	α-helix	trans	-55.1	-34.7	-179.8	-174.6	-121.3	0	0	0	114.2	F23 I31 F34 K35 F38 F86 L87	F23-F83 HydrophobicContact CE1-CD1 4.45Å; F23-F83 HydrophobicContact CE1-CE1 4.04Å; F23-F83 HydrophobicContact CZ-CD1 4.34Å; F23-F83 HydrophobicContact CZ-CE1 4.37Å; I31-F83 HydrophobicContact CG2-CE1 4.39Å; I31-F83 HydrophobicContact CG2-CZ 4.34Å; F34-F83 HydrophobicContact CB-CE2 4.09Å; F34-F83 HydrophobicContact CB-CZ 4.32Å; K35-F83 VanDerWaalsContact CA-CE2 3.46Å; K35-F83 HydrophobicContact CB-CE1 4.46Å; K35-F83 HydrophobicContact CB-CE2 3.95Å; K35-F83 HydrophobicContact CB-CZ 3.72Å; K35-F83 HydrophobicContact CG-CE2 4.49Å; K35-F83 HydrophobicContact CG-CZ 4.32Å; F38-F83 HydrophobicContact CB-CD2 3.72Å; F38-F83 HydrophobicContact CB-CE2 4.1Å; F38-F83 HydrophobicContact CD1-CB 4.41Å; F38-F83 HydrophobicContact CD1-CD2 4.31Å; F38-F83 HydrophobicContact CD2-CB 4.33Å; F38-F83 AromaticContact CD2-CD2 3.96Å; F38-F83 HydrophobicContact CD2-CD2 3.96Å; F38-F83 HydrophobicContact CE1-CB 4.42Å; F38-F83 HydrophobicContact CE2-CB 4.31Å; F38-F83 HydrophobicContact CG-CB 4.38Å; F38-F83 AromaticContact CG-CD2 3.72Å; F38-F83 HydrophobicContact CG-CD2 3.72Å; F38-F83 HydrophobicContact CZ-CB 4.37Å; F83-F86 HydrophobicContact CD2-CD1 4.44Å; F83-F86 HydrophobicContact CE2-CD1 4.46Å; F83-F86 WeakPolarHBondContact O-CB 3.5Å; F83-F86 PolarHBondContact O-N 2.81Å; F83-L87 HydrophobicContact CD1-CD1 4.3Å; F83-L87 HydrophobicContact CE1-CD1 3.76Å; F83-L87 HydrophobicContact CE1-CG 4.26Å; F83-L87 HydrophobicContact CE2-CD1 4.5Å; F83-L87 HydrophobicContact CE2-CD2 4.16Å; F83-L87 HydrophobicContact CE2-CG 4.13Å; F83-L87 HydrophobicContact CZ-CD1 3.87Å; F83-L87 HydrophobicContact CZ-CD2 4.02Å; F83-L87 HydrophobicContact CZ-CG 3.97Å; F83-L87 WeakPolarHBondContact O-CG 3.23Å; F83-L87 PolarHBondContact O-N 3.28Å
84	T	92.5	Very high	87.3	Confident	43 Å²	43	59.7 Å²	59.7	26%	0.264	32%	0.322	S	S	.	.	H	α-helix	trans	-68.2	-41.8	176.7	-51.3	0	0	0	0	111.5	T19 V22 F23 N82 L87 T88	T19-T84 HydrophobicContact CG2-CG2 3.94Å; V22-T84 HydrophobicContact CG1-CG2 4.1Å; F23-T84 HydrophobicContact CE2-CG2 4.16Å; N82-T84 PolarHBondContact O-N 3.21Å; N82-T84 VanDerWaalsContact O-N 3.11Å; N82-T84 WeakPolarHBondContact OD1-CA 3.49Å; N82-T84 WeakPolarHBondContact OD1-CB 3.48Å; N82-T84 PolarHBondContact OD1-N 3Å; T84-L87 PolarHBondContact O-N 3.43Å; T84-T88 PolarHBondContact O-N 2.94Å; T84-T88 PolarHBondContact O-OG1 3.04Å
85	M	91.9	Very high	85.8	Confident	31 Å²	31	60.4 Å²	60.4	15%	0.153	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-42	176.4	-176.3	57.4	70.3	0	0	110.7	P78 N82 L87 T88 M89	P78-M85 HydrophobicContact CG-CE 3.85Å; P78-M85 HydrophobicContact CG-SD 3.74Å; N82-M85 WeakPolarHBondContact O-CB 3.45Å; N82-M85 PolarHBondContact O-N 3.5Å; N82-M85 PolarHBondContact OD1-N 2.7Å; M85-L87 PolarHBondContact O-N 2.76Å; M85-T88 CarbonylContact O-C 3.22Å; M85-T88 WeakPolarHBondContact O-CA 3.37Å; M85-T88 WeakPolarHBondContact O-CB 3.33Å; M85-T88 PolarHBondContact O-N 2.76Å; M85-M89 HydrophobicContact CG-SD 4.38Å; M85-M89 WeakPolarHBondContact O-CG 3.2Å; M85-M89 PolarHBondContact O-N 3.24Å
86	F	92.4	Very high	84.5	Confident	11 Å²	11	59.1 Å²	59.1	5%	0.048	33%	0.327	C	S	.	.	H	α-helix	trans	-54.8	-52.9	173.7	-173.7	-99.6	0	0	0	111	F34 A37 F38 I41 I49 I81 N82 F83 T88 M89 F90	F34-F86 HydrophobicContact CB-CE1 4.32Å; F34-F86 HydrophobicContact CD1-CE1 4.2Å; A37-F86 HydrophobicContact CB-CZ 4.36Å; F38-F86 HydrophobicContact CB-CD1 4.29Å; F38-F86 HydrophobicContact CB-CE1 4.28Å; F38-F86 HydrophobicContact CD2-CB 3.73Å; F38-F86 HydrophobicContact CD2-CD1 4.08Å; F38-F86 AromaticContact CD2-CD2 3.98Å; F38-F86 HydrophobicContact CD2-CD2 3.98Å; F38-F86 AromaticContact CD2-CG 3.69Å; F38-F86 HydrophobicContact CD2-CG 3.69Å; F38-F86 HydrophobicContact CE2-CB 4.05Å; F38-F86 HydrophobicContact CE2-CG 4.41Å; I41-F86 HydrophobicContact CD1-CE2 3.84Å; I41-F86 HydrophobicContact CD1-CZ 4.22Å; I49-F86 HydrophobicContact CD1-CD2 3.81Å; I49-F86 HydrophobicContact CD1-CE2 4.02Å; I81-F86 HydrophobicContact CG2-CB 4.27Å; I81-F86 HydrophobicContact CG2-CD2 4.44Å; N82-F86 PolarHBondContact O-N 3.44Å; F83-F86 HydrophobicContact CD2-CD1 4.44Å; F83-F86 HydrophobicContact CE2-CD1 4.46Å; F83-F86 WeakPolarHBondContact O-CB 3.5Å; F83-F86 PolarHBondContact O-N 2.81Å; F86-T88 PolarHBondContact O-N 3.47Å; F86-M89 PolarHBondContact O-N 3.39Å; F86-F90 AromaticContact CD1-CD2 3.99Å; F86-F90 HydrophobicContact CD1-CD2 3.99Å; F86-F90 HydrophobicContact CD1-CE2 4.11Å; F86-F90 HydrophobicContact CD2-CD2 4.34Å; F86-F90 AromaticContact CD2-CE2 3.94Å; F86-F90 HydrophobicContact CD2-CE2 3.94Å; F86-F90 AromaticContact CE1-CD2 3.83Å; F86-F90 HydrophobicContact CE1-CD2 3.83Å; F86-F90 AromaticContact CE1-CE2 3.6Å; F86-F90 HydrophobicContact CE1-CE2 3.6Å; F86-F90 HydrophobicContact CE1-CZ 4.42Å; F86-F90 HydrophobicContact CE2-CD2 4.21Å; F86-F90 AromaticContact CE2-CE2 3.43Å; F86-F90 HydrophobicContact CE2-CE2 3.43Å; F86-F90 VanDerWaalsContact CE2-CE2 3.43Å; F86-F90 HydrophobicContact CE2-CZ 4.29Å; F86-F90 HydrophobicContact CG-CD2 4.25Å; F86-F90 HydrophobicContact CG-CE2 4.27Å; F86-F90 AromaticContact CZ-CD2 3.95Å; F86-F90 HydrophobicContact CZ-CD2 3.95Å; F86-F90 AromaticContact CZ-CE2 3.23Å; F86-F90 HydrophobicContact CZ-CE2 3.23Å; F86-F90 AromaticContact CZ-CZ 3.9Å; F86-F90 HydrophobicContact CZ-CZ 3.9Å; F86-F90 WeakPolarHBondContact O-CD2 3.22Å; F86-F90 PolarHBondContact O-N 3.01Å
87	L	90.8	Very high	83.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-33.2	173.8	-69.5	-178.4	0	0	0	112.9	V22 F23 F26 F34 F83 T84 M85 G91	V22-L87 HydrophobicContact CG1-CB 4.27Å; V22-L87 HydrophobicContact CG2-CB 3.92Å; V22-L87 VanDerWaalsContact CG2-O 3.29Å; V22-L87 WeakPolarHBondContact CG2-O 3.37Å; F23-L87 HydrophobicContact CD1-CD1 3.74Å; F23-L87 HydrophobicContact CE1-CD1 3.36Å; F23-L87 HydrophobicContact CE2-CD1 4.35Å; F23-L87 HydrophobicContact CG-CD1 4.39Å; F23-L87 HydrophobicContact CZ-CD1 3.7Å; F26-L87 HydrophobicContact CD2-CD2 4.38Å; F26-L87 HydrophobicContact CE2-CB 4.43Å; F26-L87 HydrophobicContact CE2-CD2 4.38Å; F34-L87 HydrophobicContact CB-CD2 3.51Å; F34-L87 HydrophobicContact CD2-CD2 3.53Å; F34-L87 HydrophobicContact CE2-CD2 4.42Å; F34-L87 HydrophobicContact CG-CD2 3.62Å; F83-L87 HydrophobicContact CD1-CD1 4.3Å; F83-L87 HydrophobicContact CE1-CD1 3.76Å; F83-L87 HydrophobicContact CE1-CG 4.26Å; F83-L87 HydrophobicContact CE2-CD1 4.5Å; F83-L87 HydrophobicContact CE2-CD2 4.16Å; F83-L87 HydrophobicContact CE2-CG 4.13Å; F83-L87 HydrophobicContact CZ-CD1 3.87Å; F83-L87 HydrophobicContact CZ-CD2 4.02Å; F83-L87 HydrophobicContact CZ-CG 3.97Å; F83-L87 WeakPolarHBondContact O-CG 3.23Å; F83-L87 PolarHBondContact O-N 3.28Å; T84-L87 PolarHBondContact O-N 3.43Å; M85-L87 PolarHBondContact O-N 2.76Å; L87-G91 WeakPolarHBondContact O-CA 3.48Å; L87-G91 PolarHBondContact O-N 3.26Å
88	T	86.6	Confident	83.3	Confident	12 Å²	12	58.7 Å²	58.7	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-67.9	-45	179.1	-55.6	0	0	0	0	110.3	T84 M85 F86 G91 E92	T84-T88 PolarHBondContact O-N 2.94Å; T84-T88 PolarHBondContact O-OG1 3.04Å; M85-T88 CarbonylContact O-C 3.22Å; M85-T88 WeakPolarHBondContact O-CA 3.37Å; M85-T88 WeakPolarHBondContact O-CB 3.33Å; M85-T88 PolarHBondContact O-N 2.76Å; F86-T88 PolarHBondContact O-N 3.47Å; T88-G91 CarbonylContact O-C 3.51Å; T88-G91 PolarHBondContact O-N 3.26Å; T88-E92 HydrophobicContact CG2-CG 4.32Å; T88-E92 WeakPolarHBondContact CG2-OE1 3.36Å; T88-E92 WeakPolarHBondContact O-CB 3.16Å; T88-E92 VanDerWaalsContact O-CG 3.29Å; T88-E92 WeakPolarHBondContact O-CG 3.29Å; T88-E92 PolarHBondContact O-N 3.34Å
89	M	86.2	Confident	83.1	Confident	44 Å²	44	56.7 Å²	56.7	22%	0.217	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-46.1	175.6	-69.9	168.7	43.1	0	0	111.9	A77 M85 F86 G91 K93	A77-M89 HydrophobicContact CB-SD 3.78Å; M85-M89 HydrophobicContact CG-SD 4.38Å; M85-M89 WeakPolarHBondContact O-CG 3.2Å; M85-M89 PolarHBondContact O-N 3.24Å; F86-M89 PolarHBondContact O-N 3.39Å; M89-G91 VanDerWaalsContact C-N 3.35Å; M89-K93 WeakPolarHBondContact O-CB 3.49Å; M89-K93 PolarHBondContact O-N 3.14Å
90	F	83.2	Confident	82.9	Confident	81 Å²	81	58.3 Å²	58.3	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-38.5	175.1	-82.5	-87.8	0	0	0	111.9	F26 F34 F86 K93 L94	F26-F90 HydrophobicContact CZ-CB 4.46Å; F34-F90 HydrophobicContact CD1-CD1 4.35Å; F34-F90 HydrophobicContact CD1-CG 4.21Å; F34-F90 HydrophobicContact CE1-CB 3.97Å; F34-F90 AromaticContact CE1-CD1 3.58Å; F34-F90 HydrophobicContact CE1-CD1 3.58Å; F34-F90 HydrophobicContact CE1-CD2 4.43Å; F34-F90 HydrophobicContact CE1-CE1 4.17Å; F34-F90 AromaticContact CE1-CG 3.72Å; F34-F90 HydrophobicContact CE1-CG 3.72Å; F34-F90 HydrophobicContact CZ-CB 4.2Å; F34-F90 HydrophobicContact CZ-CD1 4.34Å; F34-F90 HydrophobicContact CZ-CG 4.42Å; F86-F90 AromaticContact CD1-CD2 3.99Å; F86-F90 HydrophobicContact CD1-CD2 3.99Å; F86-F90 HydrophobicContact CD1-CE2 4.11Å; F86-F90 HydrophobicContact CD2-CD2 4.34Å; F86-F90 AromaticContact CD2-CE2 3.94Å; F86-F90 HydrophobicContact CD2-CE2 3.94Å; F86-F90 AromaticContact CE1-CD2 3.83Å; F86-F90 HydrophobicContact CE1-CD2 3.83Å; F86-F90 AromaticContact CE1-CE2 3.6Å; F86-F90 HydrophobicContact CE1-CE2 3.6Å; F86-F90 HydrophobicContact CE1-CZ 4.42Å; F86-F90 HydrophobicContact CE2-CD2 4.21Å; F86-F90 AromaticContact CE2-CE2 3.43Å; F86-F90 HydrophobicContact CE2-CE2 3.43Å; F86-F90 VanDerWaalsContact CE2-CE2 3.43Å; F86-F90 HydrophobicContact CE2-CZ 4.29Å; F86-F90 HydrophobicContact CG-CD2 4.25Å; F86-F90 HydrophobicContact CG-CE2 4.27Å; F86-F90 AromaticContact CZ-CD2 3.95Å; F86-F90 HydrophobicContact CZ-CD2 3.95Å; F86-F90 AromaticContact CZ-CE2 3.23Å; F86-F90 HydrophobicContact CZ-CE2 3.23Å; F86-F90 AromaticContact CZ-CZ 3.9Å; F86-F90 HydrophobicContact CZ-CZ 3.9Å; F86-F90 WeakPolarHBondContact O-CD2 3.22Å; F86-F90 PolarHBondContact O-N 3.01Å; F90-K93 PolarHBondContact O-N 3.29Å; F90-L94 HydrophobicContact CB-CD1 4.5Å; F90-L94 WeakPolarHBondContact O-CB 3.33Å; F90-L94 WeakPolarHBondContact O-CG 3.44Å; F90-L94 PolarHBondContact O-N 2.94Å
91	G	79.4	Confident	82.7	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-65.7	-41.7	177.6	0	0	0	0	0	112.2	F26 L87 T88 M89 K93 N95	F26-G91 VanDerWaalsContact CZ-CA 3.5Å; L87-G91 WeakPolarHBondContact O-CA 3.48Å; L87-G91 PolarHBondContact O-N 3.26Å; T88-G91 CarbonylContact O-C 3.51Å; T88-G91 PolarHBondContact O-N 3.26Å; M89-G91 VanDerWaalsContact C-N 3.35Å; G91-K93 VanDerWaalsContact C-N 3.32Å; G91-N95 CarbonylContact O-C 3.59Å; G91-N95 VanDerWaalsContact O-CA 3.23Å; G91-N95 WeakPolarHBondContact O-CA 3.18Å; G91-N95 WeakPolarHBondContact O-CB 3.44Å; G91-N95 PolarHBondContact O-N 3.5Å
92	E	75.3	Confident	82.5	Confident	112 Å²	112	60 Å²	60	52%	0.523	32%	0.323	S	S	.	.	H	α-helix	trans	-68.9	-32	174.2	-73	174.3	177.1	0	0	111.4	T88 G96	T88-E92 HydrophobicContact CG2-CG 4.32Å; T88-E92 WeakPolarHBondContact CG2-OE1 3.36Å; T88-E92 WeakPolarHBondContact O-CB 3.16Å; T88-E92 VanDerWaalsContact O-CG 3.29Å; T88-E92 WeakPolarHBondContact O-CG 3.29Å; T88-E92 PolarHBondContact O-N 3.34Å; E92-G96 WeakPolarHBondContact O-CA 3.4Å; E92-G96 PolarHBondContact O-N 3.21Å
93	K	70	Confident	82.2	Confident	184 Å²	184	58.2 Å²	58.2	80%	0.8	31%	0.313	S	S	*	.	H	α-helix	trans	-76.1	-37.3	175.4	-162.5	66.9	175.8	-176.2	0	113	M89 F90 G91	M89-K93 WeakPolarHBondContact O-CB 3.49Å; M89-K93 PolarHBondContact O-N 3.14Å; F90-K93 PolarHBondContact O-N 3.29Å; G91-K93 VanDerWaalsContact C-N 3.32Å
94	L	64.6	Low	82.2	Confident	98 Å²	98	60.3 Å²	60.3	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-85.3	-33	-178.7	-68.1	169.5	0	0	0	112.7	F26 F34 F90	F26-L94 HydrophobicContact CE1-CD1 3.72Å; F26-L94 HydrophobicContact CZ-CD1 4.19Å; F34-L94 HydrophobicContact CZ-CD1 3.91Å; F90-L94 HydrophobicContact CB-CD1 4.5Å; F90-L94 WeakPolarHBondContact O-CB 3.33Å; F90-L94 WeakPolarHBondContact O-CG 3.44Å; F90-L94 PolarHBondContact O-N 2.94Å
95	N	63.5	Low	82.2	Confident	61 Å²	61	62.6 Å²	62.6	33%	0.326	33%	0.33	S	S	.	.	S	Bend	trans	-120.4	27.7	-179.3	-58.5	-32.4	0	0	0	112.2	M25 G91 T97	M25-N95 WeakPolarHBondContact CB-ND2 3.39Å; M25-N95 HydrophobicContact SD-CB 4.39Å; G91-N95 CarbonylContact O-C 3.59Å; G91-N95 VanDerWaalsContact O-CA 3.23Å; G91-N95 WeakPolarHBondContact O-CA 3.18Å; G91-N95 WeakPolarHBondContact O-CB 3.44Å; G91-N95 PolarHBondContact O-N 3.5Å; N95-T97 PolarHBondContact O-N 2.86Å; N95-T97 VanDerWaalsContact O-O 3.12Å
96	G	66	Low	82.2	Confident	61 Å²	61	63.8 Å²	63.8	63%	0.629	35%	0.345	S	S	*	.			trans	-62.4	2.5	177.3	0	0	0	0	0	114.8	E92	E92-G96 WeakPolarHBondContact O-CA 3.4Å; E92-G96 PolarHBondContact O-N 3.21Å
97	T	70	Confident	82.4	Confident	46 Å²	46	64.7 Å²	64.7	28%	0.282	35%	0.349	S	S	.	.	S	Bend	trans	-120	147.3	177.7	61	0	0	0	0	109.4	N95 L163 K164	N95-T97 PolarHBondContact O-N 2.86Å; N95-T97 VanDerWaalsContact O-O 3.12Å; T97-L163 HydrophobicContact CG2-CD1 4.01Å; T97-L163 HydrophobicContact CG2-CD2 4.02Å; T97-L163 HydrophobicContact CG2-CG 3.94Å; T97-K164 PolarHBondContact O-NZ 3.25Å; T97-K164 WeakPolarHBondContact OG1-CD 3.18Å; T97-K164 WeakPolarHBondContact OG1-CE 3.34Å; T97-K164 PolarHBondContact OG1-NZ 2.82Å
98	D	81	Confident	82.6	Confident	104 Å²	104	66.5 Å²	66.5	56%	0.556	36%	0.364	S	S	*	.			trans	-55.8	162	175.7	-74.2	-44.9	0	0	0	112.3	V102 I103 K164	D98-V102 HydrophobicContact CB-CB 3.95Å; D98-V102 HydrophobicContact CB-CG1 3.72Å; D98-I103 HydrophobicContact CB-CG1 3.91Å; D98-I103 WeakPolarHBondContact O-CD1 3.46Å; D98-I103 WeakPolarHBondContact O-CG1 3.49Å; D98-K164 WeakPolarHBondContact O-CE 3.26Å; D98-K164 PolarHBondContact O-NZ 2.62Å
99	P	81.2	Confident	82.9	Confident	72 Å²	72	70.7 Å²	70.7	47%	0.468	39%	0.393	S	S	.	.			trans	-47.6	146.2	171.9	-28.3	36.2	0	0	0	112.9	D101 V102 I103	P99-D101 WeakPolarHBondContact CB-OD1 2.78Å; P99-D101 PolarHBondContact O-N 2.88Å; P99-D101 VanDerWaalsContact O-N 3.15Å; P99-V102 HydrophobicContact CB-CB 4.43Å; P99-V102 HydrophobicContact CB-CG2 4.05Å; P99-V102 HydrophobicContact CG-CG2 4.18Å; P99-V102 WeakPolarHBondContact O-CA 3.33Å; P99-V102 WeakPolarHBondContact O-CB 2.91Å; P99-V102 PolarHBondContact O-N 2.69Å; P99-I103 PolarHBondContact O-N 3.2Å
100	E	86.4	Confident	83.3	Confident	62 Å²	62	72.4 Å²	72.4	29%	0.29	40%	0.399	S	S	.	.	H	α-helix	trans	-52.9	-40.4	-175.6	171.5	169.2	-176.1	0	0	112.7	V102 I103 R104 T160 K164 H165	E100-V102 VanDerWaalsContact C-N 3.35Å; E100-I103 PolarHBondContact O-N 3.45Å; E100-R104 VanDerWaalsContact O-CB 3.26Å; E100-R104 WeakPolarHBondContact O-CB 3.45Å; E100-R104 PolarHBondContact O-N 2.74Å; E100-T160 HydrophobicContact CB-CG2 4.27Å; E100-T160 HydrophobicContact CG-CG2 3.73Å; E100-K164 HydrophobicContact CB-CG 4.21Å; E100-H165 IonicContact OE2-NE2 3.75Å
101	D	89.2	Confident	83.9	Confident	78 Å²	78	69.2 Å²	69.2	42%	0.417	39%	0.386	S	S	.	.	H	α-helix	trans	-66.1	-36.3	177	62.7	-52.9	0	0	0	112.6	P99 N105	P99-D101 WeakPolarHBondContact CB-OD1 2.78Å; P99-D101 PolarHBondContact O-N 2.88Å; P99-D101 VanDerWaalsContact O-N 3.15Å; D101-N105 WeakPolarHBondContact O-CB 3.1Å; D101-N105 PolarHBondContact O-N 2.7Å; D101-N105 PolarHBondContact O-ND2 2.88Å; D101-N105 PolarHBondContact O-OD1 3.17Å
102	V	90.1	Very high	84.4	Confident	61 Å²	61	78.4 Å²	78.4	37%	0.37	43%	0.428	S	S	.	.	H	α-helix	trans	-67	-46.5	176	176.4	0	0	0	0	110.7	D98 P99 E100 N105 A106	D98-V102 HydrophobicContact CB-CB 3.95Å; D98-V102 HydrophobicContact CB-CG1 3.72Å; P99-V102 HydrophobicContact CB-CB 4.43Å; P99-V102 HydrophobicContact CB-CG2 4.05Å; P99-V102 HydrophobicContact CG-CG2 4.18Å; P99-V102 WeakPolarHBondContact O-CA 3.33Å; P99-V102 WeakPolarHBondContact O-CB 2.91Å; P99-V102 PolarHBondContact O-N 2.69Å; E100-V102 VanDerWaalsContact C-N 3.35Å; V102-N105 PolarHBondContact O-N 3.02Å; V102-A106 PolarHBondContact O-N 3.06Å
103	I	91.7	Very high	85.3	Confident	19 Å²	19	81.2 Å²	81.2	10%	0.097	44%	0.442	C	S	.	.	H	α-helix	trans	-61.9	-47.6	177.1	-58.4	170.4	0	0	0	110.4	D98 P99 E100 N105 A106 F107 T160 L163	D98-I103 HydrophobicContact CB-CG1 3.91Å; D98-I103 WeakPolarHBondContact O-CD1 3.46Å; D98-I103 WeakPolarHBondContact O-CG1 3.49Å; P99-I103 PolarHBondContact O-N 3.2Å; E100-I103 PolarHBondContact O-N 3.45Å; I103-N105 VanDerWaalsContact C-N 3.31Å; I103-N105 PolarHBondContact O-N 2.86Å; I103-A106 WeakPolarHBondContact O-CB 3.38Å; I103-A106 PolarHBondContact O-N 2.89Å; I103-A106 VanDerWaalsContact O-N 3.11Å; I103-F107 HydrophobicContact CG2-CD2 4.07Å; I103-F107 HydrophobicContact CG2-CE2 3.83Å; I103-F107 WeakPolarHBondContact O-CD2 3.35Å; I103-F107 PolarHBondContact O-N 3.15Å; I103-T160 HydrophobicContact CB-CG2 3.66Å; I103-T160 HydrophobicContact CD1-CG2 4.16Å; I103-T160 HydrophobicContact CG2-CG2 3.68Å; I103-L163 HydrophobicContact CD1-CD2 4.04Å
104	R	93.4	Very high	86.4	Confident	86 Å²	86	76.4 Å²	76.4	33%	0.325	44%	0.436	S	S	.	.	H	α-helix	trans	-60.8	-41.7	178.5	-175.4	179.1	60.5	-117.6	-5.3	111.5	E100 A106 F107 A108 Y156	E100-R104 VanDerWaalsContact O-CB 3.26Å; E100-R104 WeakPolarHBondContact O-CB 3.45Å; E100-R104 PolarHBondContact O-N 2.74Å; R104-A106 VanDerWaalsContact C-N 3.29Å; R104-A106 PolarHBondContact O-N 3.17Å; R104-F107 PolarHBondContact O-N 3.43Å; R104-A108 WeakPolarHBondContact O-CB 3.38Å; R104-A108 PolarHBondContact O-N 3.43Å; R104-Y156 HydrophobicContact CG-CD2 4.23Å; R104-Y156 HydrophobicContact CG-CE2 3.94Å
105	N	93.4	Very high	87.9	Confident	91 Å²	91	74.5 Å²	74.5	49%	0.487	43%	0.431	S	S	.	.	H	α-helix	trans	-65.1	-33.8	176.8	-70.2	-19.3	0	0	0	111.8	D101 V102 I103 A108 C109	D101-N105 WeakPolarHBondContact O-CB 3.1Å; D101-N105 PolarHBondContact O-N 2.7Å; D101-N105 PolarHBondContact O-ND2 2.88Å; D101-N105 PolarHBondContact O-OD1 3.17Å; V102-N105 PolarHBondContact O-N 3.02Å; I103-N105 VanDerWaalsContact C-N 3.31Å; I103-N105 PolarHBondContact O-N 2.86Å; N105-A108 PolarHBondContact O-N 2.82Å; N105-C109 PolarHBondContact O-N 2.9Å; N105-C109 PolarHBondContact O-SG 2.84Å
106	A	92.8	Very high	89.5	Confident	55 Å²	55	72.1 Å²	72.1	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-63.7	-44.4	175.7	0	0	0	0	0	111.9	V102 I103 R104 C109 F110	V102-A106 PolarHBondContact O-N 3.06Å; I103-A106 WeakPolarHBondContact O-CB 3.38Å; I103-A106 PolarHBondContact O-N 2.89Å; I103-A106 VanDerWaalsContact O-N 3.11Å; R104-A106 VanDerWaalsContact C-N 3.29Å; R104-A106 PolarHBondContact O-N 3.17Å; A106-C109 WeakPolarHBondContact O-CB 3.46Å; A106-F110 WeakPolarHBondContact O-CD2 3.17Å
107	F	95.3	Very high	91	Very high	30 Å²	30	72.9 Å²	72.9	13%	0.132	41%	0.407	C	S	.	.	H	α-helix	trans	-66.5	-41.6	172.8	-75.3	-69.2	0	0	0	112.4	I103 R104 C109 F110 I118 L123 F154 Y156 F159	I103-F107 HydrophobicContact CG2-CD2 4.07Å; I103-F107 HydrophobicContact CG2-CE2 3.83Å; I103-F107 WeakPolarHBondContact O-CD2 3.35Å; I103-F107 PolarHBondContact O-N 3.15Å; R104-F107 PolarHBondContact O-N 3.43Å; F107-C109 PolarHBondContact O-N 3.02Å; F107-C109 VanDerWaalsContact O-N 3.07Å; F107-F110 PolarHBondContact O-N 3.31Å; F107-I118 HydrophobicContact CB-CD1 4.08Å; F107-I118 HydrophobicContact CD1-CD1 3.77Å; F107-I118 HydrophobicContact CG-CD1 4.41Å; F107-L123 HydrophobicContact CD1-CD1 4.42Å; F107-L123 HydrophobicContact CE1-CD1 3.92Å; F107-F154 HydrophobicContact CD1-CE1 4.39Å; F107-F154 AromaticContact CE1-CE1 3.85Å; F107-F154 HydrophobicContact CE1-CE1 3.85Å; F107-F154 HydrophobicContact CE1-CZ 4.42Å; F107-F154 AromaticContact CZ-CE1 3.99Å; F107-F154 HydrophobicContact CZ-CE1 3.99Å; F107-F154 HydrophobicContact CZ-CZ 4.26Å; F107-Y156 HydrophobicContact CB-CD1 4.01Å; F107-Y156 HydrophobicContact CB-CD2 3.44Å; F107-Y156 VanDerWaalsContact CB-CD2 3.44Å; F107-Y156 HydrophobicContact CB-CE2 4.02Å; F107-Y156 HydrophobicContact CB-CG 3.45Å; F107-Y156 VanDerWaalsContact CB-CG 3.45Å; F107-Y156 HydrophobicContact CD2-CD2 4.38Å; F107-Y156 HydrophobicContact CD2-CG 4.36Å; F107-Y156 HydrophobicContact CG-CD2 4.15Å; F107-Y156 AromaticContact CG-CG 3.91Å; F107-Y156 HydrophobicContact CG-CG 3.91Å; F107-F159 HydrophobicContact CE2-CD1 4.07Å; F107-F159 HydrophobicContact CE2-CE1 4.38Å; F107-F159 HydrophobicContact CZ-CD1 4.08Å; F107-F159 HydrophobicContact CZ-CE1 4.15Å
108	A	94.8	Very high	92.3	Very high	39 Å²	39	71 Å²	71	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-59.5	-22.7	-179.4	0	0	0	0	0	113.5	R104 N105 F110 D111	R104-A108 WeakPolarHBondContact O-CB 3.38Å; R104-A108 PolarHBondContact O-N 3.43Å; N105-A108 PolarHBondContact O-N 2.82Å; A108-F110 PolarHBondContact O-N 3.27Å; A108-D111 PolarHBondContact O-N 3.22Å
109	C	94.5	Very high	93.1	Very high	100 Å²	100	69.8 Å²	69.8	68%	0.676	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.1	171.4	-69.1	0	0	0	0	113.9	N105 A106 F107	N105-C109 PolarHBondContact O-N 2.9Å; N105-C109 PolarHBondContact O-SG 2.84Å; A106-C109 WeakPolarHBondContact O-CB 3.46Å; F107-C109 PolarHBondContact O-N 3.02Å; F107-C109 VanDerWaalsContact O-N 3.07Å
110	F	93.5	Very high	93.8	Very high	80 Å²	80	69.3 Å²	69.3	35%	0.351	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	1.7	-178.4	-55.2	-76.6	0	0	0	113.4	A106 F107 A108 I118 L126 M130	A106-F110 WeakPolarHBondContact O-CD2 3.17Å; F107-F110 PolarHBondContact O-N 3.31Å; A108-F110 PolarHBondContact O-N 3.27Å; F110-I118 HydrophobicContact CB-CD1 4.07Å; F110-L126 HydrophobicContact CB-CD1 3.73Å; F110-L126 HydrophobicContact CD1-CD1 3.46Å; F110-L126 VanDerWaalsContact CD1-CD1 3.46Å; F110-L126 HydrophobicContact CD1-CD2 3.62Å; F110-L126 HydrophobicContact CD1-CG 4.19Å; F110-L126 HydrophobicContact CD2-CD1 3.9Å; F110-L126 HydrophobicContact CE1-CD1 3.97Å; F110-L126 HydrophobicContact CE1-CD2 3.49Å; F110-L126 VanDerWaalsContact CE1-CD2 3.49Å; F110-L126 HydrophobicContact CE1-CG 4.32Å; F110-L126 HydrophobicContact CE2-CD1 4.35Å; F110-L126 HydrophobicContact CG-CD1 3.41Å; F110-L126 VanDerWaalsContact CG-CD1 3.41Å; F110-L126 HydrophobicContact CG-CD2 4.43Å; F110-L126 HydrophobicContact CZ-CD1 4.38Å; F110-L126 HydrophobicContact CZ-CD2 4.22Å; F110-M130 HydrophobicContact CE1-CE 4.35Å; F110-M130 HydrophobicContact CE1-SD 3.95Å; F110-M130 HydrophobicContact CZ-SD 4.06Å
111	D	95	Very high	94.3	Very high	13 Å²	13	71.2 Å²	71.2	7%	0.07	39%	0.389	C	S	.	.			trans	-112.1	78.9	176.7	173.5	23	0	0	0	108.6	A108 E113 A114 S115 G116 I118 Y156	A108-D111 PolarHBondContact O-N 3.22Å; D111-E113 PolarHBondContact O-N 2.92Å; D111-E113 VanDerWaalsContact O-N 3.15Å; D111-A114 PolarHBondContact O-N 2.91Å; D111-A114 PolarHBondContact OD1-N 3.35Å; D111-A114 VanDerWaalsContact OD2-C 3.29Å; D111-A114 WeakPolarHBondContact OD2-CA 3.32Å; D111-S115 VanDerWaalsContact CG-N 3.3Å; D111-S115 PolarHBondContact OD1-N 3.38Å; D111-S115 PolarHBondContact OD1-OG 3.32Å; D111-S115 PolarHBondContact OD2-N 3.05Å; D111-S115 PolarHBondContact OD2-OG 2.97Å; D111-G116 PolarHBondContact OD2-N 3.06Å; D111-I118 HydrophobicContact CB-CG1 4.3Å; D111-Y156 HydrophobicContact CB-CE1 3.78Å; D111-Y156 VanDerWaalsContact OD2-CE1 3.28Å; D111-Y156 WeakPolarHBondContact OD2-CE1 3.4Å; D111-Y156 PolarHBondContact OD2-OH 2.9Å
112	E	91.4	Very high	94.7	Very high	195 Å²	195	71.1 Å²	71.1	91%	0.911	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.2	-177.2	-63.9	-173.6	176.4	0	0	112.9	A114	E112-A114 VanDerWaalsContact C-N 3.31Å
113	E	93.6	Very high	95	Very high	171 Å²	171	68.4 Å²	68.4	80%	0.799	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-6.3	179.8	-60.5	-170.2	165.1	0	0	113	D111 S115	D111-E113 PolarHBondContact O-N 2.92Å; D111-E113 VanDerWaalsContact O-N 3.15Å; E113-S115 PolarHBondContact O-N 2.89Å
114	A	93.6	Very high	95.2	Very high	83 Å²	83	70 Å²	70	69%	0.686	37%	0.374	S	S	*	.			trans	49.9	37.6	-171.9	0	0	0	0	0	112.3	D111 E112 G116	D111-A114 PolarHBondContact O-N 2.91Å; D111-A114 PolarHBondContact OD1-N 3.35Å; D111-A114 VanDerWaalsContact OD2-C 3.29Å; D111-A114 WeakPolarHBondContact OD2-CA 3.32Å; E112-A114 VanDerWaalsContact C-N 3.31Å; A114-G116 VanDerWaalsContact C-N 3.29Å; A114-G116 PolarHBondContact O-N 3.47Å
115	S	96.1	Very high	95.4	Very high	58 Å²	58	71.7 Å²	71.7	41%	0.406	39%	0.386	S	S	.	.			trans	-71.4	-23.3	-177.1	66.9	0	0	0	0	113.1	D111 E113 F117	D111-S115 VanDerWaalsContact CG-N 3.3Å; D111-S115 PolarHBondContact OD1-N 3.38Å; D111-S115 PolarHBondContact OD1-OG 3.32Å; D111-S115 PolarHBondContact OD2-N 3.05Å; D111-S115 PolarHBondContact OD2-OG 2.97Å; E113-S115 PolarHBondContact O-N 2.89Å; S115-F117 VanDerWaalsContact O-CD2 3.26Å; S115-F117 WeakPolarHBondContact O-CD2 3.22Å; S115-F117 PolarHBondContact OG-N 3.36Å; S115-F117 PolarHBondContact OG-O 3.35Å
116	G	96.7	Very high	95.5	Very high	10 Å²	10	68 Å²	68	10%	0.103	37%	0.366	C	S	.	.	S	Bend	trans	87.7	4.3	-167.5	0	0	0	0	0	113.6	D111 A114 Y156	D111-G116 PolarHBondContact OD2-N 3.06Å; A114-G116 VanDerWaalsContact C-N 3.29Å; A114-G116 PolarHBondContact O-N 3.47Å; G116-Y156 VanDerWaalsContact C-CD1 3.46Å; G116-Y156 WeakPolarHBondContact CA-OH 3.38Å; G116-Y156 VanDerWaalsContact O-CD1 3.24Å; G116-Y156 WeakPolarHBondContact O-CD1 3.29Å; G116-Y156 WeakPolarHBondContact O-CE1 3.26Å; G116-Y156 PolarHBondContact O-N 3.28Å
117	F	97.7	Very high	95.6	Very high	78 Å²	78	67 Å²	67	34%	0.342	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.6	-175.5	-59.3	-91.5	0	0	0	112.7	S115 N153 F154 N155 Y156	S115-F117 VanDerWaalsContact O-CD2 3.26Å; S115-F117 WeakPolarHBondContact O-CD2 3.22Å; S115-F117 PolarHBondContact OG-N 3.36Å; S115-F117 PolarHBondContact OG-O 3.35Å; F117-N153 HydrophobicContact CB-CB 4.26Å; F117-N153 HydrophobicContact CD1-CB 3.91Å; F117-N153 HydrophobicContact CG-CB 4.35Å; F117-F154 VanDerWaalsContact CA-O 3.26Å; F117-F154 WeakPolarHBondContact CA-O 3.23Å; F117-N155 HydrophobicContact CD1-CB 3.94Å; F117-N155 HydrophobicContact CE1-CB 3.62Å; F117-N155 HydrophobicContact CZ-CB 4.48Å; F117-Y156 VanDerWaalsContact N-CE1 3.28Å
118	I	97.2	Very high	95.7	Very high	6 Å²	6	67.4 Å²	67.4	3%	0.031	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.3	166.4	-60	165.7	0	0	0	106.8	F107 F110 D111 H122 L123 F154 Y156	F107-I118 HydrophobicContact CB-CD1 4.08Å; F107-I118 HydrophobicContact CD1-CD1 3.77Å; F107-I118 HydrophobicContact CG-CD1 4.41Å; F110-I118 HydrophobicContact CB-CD1 4.07Å; D111-I118 HydrophobicContact CB-CG1 4.3Å; I118-H122 HydrophobicContact CG2-CB 4.36Å; I118-L123 HydrophobicContact CG2-CB 3.93Å; I118-F154 PolarHBondContact N-O 3.25Å; I118-F154 WeakPolarHBondContact O-CA 3.46Å; I118-F154 VanDerWaalsContact O-CB 3.28Å; I118-F154 WeakPolarHBondContact O-CB 3.49Å; I118-F154 PolarHBondContact O-N 3.37Å; I118-Y156 HydrophobicContact CD1-CD1 4.05Å; I118-Y156 HydrophobicContact CG1-CD1 3.93Å; I118-Y156 HydrophobicContact CG1-CE1 4.2Å
119	H	97.4	Very high	95.7	Very high	79 Å²	79	68.6 Å²	68.6	37%	0.366	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137.6	176.1	-164.5	63.9	0	0	0	110.7	D121 H122 L123 K151 G152	H119-D121 VanDerWaalsContact C-N 3.28Å; H119-D121 IonicContact CD2-OD2 4Å; H119-D121 IonicContact NE2-OD2 2.87Å; H119-D121 PolarHBondContact O-N 3.27Å; H119-H122 WeakPolarHBondContact O-CB 3.28Å; H119-H122 PolarHBondContact O-N 3.35Å; H119-L123 PolarHBondContact O-N 2.87Å; H119-K151 PolarHBondContact CE1-O 2.92Å; H119-G152 CarbonylContact C-O 3.56Å; H119-G152 PolarHBondContact ND1-O 3.38Å
120	E	96.7	Very high	95.5	Very high	62 Å²	62	68.6 Å²	68.6	29%	0.29	35%	0.353	S	S	.	.	H	α-helix	trans	-60	-33.9	-171.5	70.4	-178.5	174.8	0	0	113.5	L123 R124 Y143 I148 G152	E120-L123 PolarHBondContact O-N 2.64Å; E120-R124 WeakPolarHBondContact O-CB 3.24Å; E120-R124 PolarHBondContact O-N 3.18Å; E120-Y143 HydrophobicContact CB-CE2 3.82Å; E120-Y143 PolarHBondContact O-OH 3.26Å; E120-I148 HydrophobicContact CB-CD1 4.43Å; E120-I148 WeakPolarHBondContact OE2-CG2 3.39Å; E120-G152 WeakPolarHBondContact CB-O 3.32Å; E120-G152 PolarHBondContact N-O 3.07Å
121	D	96.9	Very high	95.3	Very high	102 Å²	102	68.2 Å²	68.2	55%	0.545	37%	0.371	S	S	.	.	H	α-helix	trans	-67.1	-42.4	175.8	-69.4	-27.1	0	0	0	111.3	H119 R124 E125	H119-D121 VanDerWaalsContact C-N 3.28Å; H119-D121 IonicContact CD2-OD2 4Å; H119-D121 IonicContact NE2-OD2 2.87Å; H119-D121 PolarHBondContact O-N 3.27Å; D121-R124 PolarHBondContact O-N 3.11Å; D121-E125 PolarHBondContact O-N 3.18Å
122	H	96.1	Very high	94.9	Very high	76 Å²	76	75.1 Å²	75.1	35%	0.352	41%	0.408	S	S	.	.	H	α-helix	trans	-66.8	-44.1	176.8	-179.2	-154.7	0	0	0	110.4	I118 H119 R124 E125 L126	I118-H122 HydrophobicContact CG2-CB 4.36Å; H119-H122 WeakPolarHBondContact O-CB 3.28Å; H119-H122 PolarHBondContact O-N 3.35Å; H122-R124 VanDerWaalsContact C-N 3.3Å; H122-R124 PolarHBondContact O-N 3.4Å; H122-E125 WeakPolarHBondContact O-CB 3.49Å; H122-E125 PolarHBondContact O-N 3.47Å; H122-L126 VanDerWaalsContact O-CG 3.29Å; H122-L126 WeakPolarHBondContact O-CG 3.35Å; H122-L126 PolarHBondContact O-N 2.64Å
123	L	96.5	Very high	95	Very high	4 Å²	4	74.3 Å²	74.3	2%	0.021	40%	0.397	C	S	.	.	H	α-helix	trans	-60.7	-39.5	176.4	177.8	60	0	0	0	111.9	F107 I118 H119 E120 L126 L127 M142 Y143 F154	F107-L123 HydrophobicContact CD1-CD1 4.42Å; F107-L123 HydrophobicContact CE1-CD1 3.92Å; I118-L123 HydrophobicContact CG2-CB 3.93Å; H119-L123 PolarHBondContact O-N 2.87Å; E120-L123 PolarHBondContact O-N 2.64Å; L123-L126 PolarHBondContact O-N 2.86Å; L123-L127 HydrophobicContact CD1-CD1 3.92Å; L123-L127 HydrophobicContact CD1-CG 3.98Å; L123-L127 HydrophobicContact CG-CD1 3.84Å; L123-L127 HydrophobicContact CG-CG 4.34Å; L123-L127 WeakPolarHBondContact O-CB 3.37Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.61Å; L123-M142 HydrophobicContact CD2-CE 4.2Å; L123-Y143 WeakPolarHBondContact CB-OH 3.5Å; L123-Y143 HydrophobicContact CD2-CE1 3.92Å; L123-Y143 HydrophobicContact CG-CE1 4.41Å; L123-Y143 WeakPolarHBondContact CG-OH 3.36Å; L123-F154 HydrophobicContact CD2-CB 4.09Å; L123-F154 HydrophobicContact CD2-CD1 3.55Å; L123-F154 HydrophobicContact CD2-CD2 3.79Å; L123-F154 HydrophobicContact CD2-CE1 3.74Å; L123-F154 HydrophobicContact CD2-CE2 3.97Å; L123-F154 HydrophobicContact CD2-CG 3.56Å; L123-F154 HydrophobicContact CD2-CZ 3.93Å
124	R	97.3	Very high	95.1	Very high	52 Å²	52	70 Å²	70	20%	0.196	38%	0.375	C	S	.	.	H	α-helix	trans	-62.3	-45.4	174.9	178.5	178.7	-59.5	-91.7	-2.9	111.6	E120 D121 H122 L126 L127 T128 D136 V139 D140 Y143	E120-R124 WeakPolarHBondContact O-CB 3.24Å; E120-R124 PolarHBondContact O-N 3.18Å; D121-R124 PolarHBondContact O-N 3.11Å; H122-R124 VanDerWaalsContact C-N 3.3Å; H122-R124 PolarHBondContact O-N 3.4Å; R124-L126 VanDerWaalsContact C-N 3.29Å; R124-L126 PolarHBondContact O-N 3.38Å; R124-L127 PolarHBondContact O-N 2.91Å; R124-T128 HydrophobicContact CG-CG2 4.29Å; R124-T128 WeakPolarHBondContact O-CB 3.37Å; R124-T128 VanDerWaalsContact O-CG2 3.3Å; R124-T128 WeakPolarHBondContact O-CG2 3.48Å; R124-T128 PolarHBondContact O-N 3.37Å; R124-T128 PolarHBondContact O-OG1 3.46Å; R124-D136 PolarHBondContact NH1-O 3.22Å; R124-D136 IonicContact NH1-OD1 3.19Å; R124-V139 HydrophobicContact CB-CG1 4.13Å; R124-V139 HydrophobicContact CG-CG1 4.07Å; R124-D140 IonicContact CZ-OD1 3.68Å; R124-D140 IonicContact NH1-OD1 3.71Å; R124-D140 PolarHBondContact NH1-OD1 2.79Å; R124-D140 IonicContact NH2-OD1 2.67Å; R124-D140 PolarHBondContact NH2-OD1 3.25Å; R124-Y143 PolarHBondContact N-OH 3.17Å
125	E	97.2	Very high	95.2	Very high	121 Å²	121	69.1 Å²	69.1	57%	0.565	36%	0.362	S	S	*	.	H	α-helix	trans	-57.2	-45.7	175.2	-176	-179.1	178.1	0	0	110.7	D121 H122 T128 T129	D121-E125 PolarHBondContact O-N 3.18Å; H122-E125 WeakPolarHBondContact O-CB 3.49Å; H122-E125 PolarHBondContact O-N 3.47Å; E125-T128 PolarHBondContact O-N 3.39Å; E125-T128 PolarHBondContact O-OG1 3.31Å; E125-T129 HydrophobicContact CG-CG2 4.25Å; E125-T129 VanDerWaalsContact O-CB 3.26Å; E125-T129 WeakPolarHBondContact O-CB 3.47Å; E125-T129 WeakPolarHBondContact O-CG2 3.42Å; E125-T129 PolarHBondContact O-N 3.37Å; E125-T129 PolarHBondContact O-OG1 2.93Å
126	L	95.3	Very high	95.3	Very high	13 Å²	13	70.6 Å²	70.6	7%	0.068	37%	0.365	C	S	.	.	H	α-helix	trans	-60.8	-50.5	178.4	-65	173.3	0	0	0	112.1	F110 H122 L123 R124 T128 T129 M130	F110-L126 HydrophobicContact CB-CD1 3.73Å; F110-L126 HydrophobicContact CD1-CD1 3.46Å; F110-L126 VanDerWaalsContact CD1-CD1 3.46Å; F110-L126 HydrophobicContact CD1-CD2 3.62Å; F110-L126 HydrophobicContact CD1-CG 4.19Å; F110-L126 HydrophobicContact CD2-CD1 3.9Å; F110-L126 HydrophobicContact CE1-CD1 3.97Å; F110-L126 HydrophobicContact CE1-CD2 3.49Å; F110-L126 VanDerWaalsContact CE1-CD2 3.49Å; F110-L126 HydrophobicContact CE1-CG 4.32Å; F110-L126 HydrophobicContact CE2-CD1 4.35Å; F110-L126 HydrophobicContact CG-CD1 3.41Å; F110-L126 VanDerWaalsContact CG-CD1 3.41Å; F110-L126 HydrophobicContact CG-CD2 4.43Å; F110-L126 HydrophobicContact CZ-CD1 4.38Å; F110-L126 HydrophobicContact CZ-CD2 4.22Å; H122-L126 VanDerWaalsContact O-CG 3.29Å; H122-L126 WeakPolarHBondContact O-CG 3.35Å; H122-L126 PolarHBondContact O-N 2.64Å; L123-L126 PolarHBondContact O-N 2.86Å; R124-L126 VanDerWaalsContact C-N 3.29Å; R124-L126 PolarHBondContact O-N 3.38Å; L126-T128 VanDerWaalsContact C-N 3.29Å; L126-T128 PolarHBondContact O-N 3.17Å; L126-T129 PolarHBondContact O-N 3.35Å; L126-M130 HydrophobicContact CD2-CE 3.35Å; L126-M130 HydrophobicContact CD2-SD 3.75Å; L126-M130 WeakPolarHBondContact O-CB 3.37Å; L126-M130 PolarHBondContact O-N 3.36Å
127	L	95.5	Very high	95.3	Very high	36 Å²	36	76.5 Å²	76.5	19%	0.188	39%	0.39	C	S	.	.	H	α-helix	trans	-65.8	-29.6	-176.8	-70.1	171.1	0	0	0	113.4	L123 R124 R133 F134 V139 M142	L123-L127 HydrophobicContact CD1-CD1 3.92Å; L123-L127 HydrophobicContact CD1-CG 3.98Å; L123-L127 HydrophobicContact CG-CD1 3.84Å; L123-L127 HydrophobicContact CG-CG 4.34Å; L123-L127 WeakPolarHBondContact O-CB 3.37Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.61Å; R124-L127 PolarHBondContact O-N 2.91Å; L127-R133 WeakPolarHBondContact O-CA 3.48Å; L127-F134 HydrophobicContact CB-CB 4.37Å; L127-F134 HydrophobicContact CB-CG 4.5Å; L127-F134 PolarHBondContact O-N 3.3Å; L127-V139 HydrophobicContact CB-CG2 4.04Å; L127-V139 HydrophobicContact CD1-CG1 4.42Å; L127-V139 HydrophobicContact CD1-CG2 4.28Å; L127-M142 HydrophobicContact CD1-CE 3.45Å; L127-M142 VanDerWaalsContact CD1-CE 3.45Å; L127-M142 HydrophobicContact CD1-SD 4.14Å
128	T	96.7	Very high	95.1	Very high	37 Å²	37	77.5 Å²	77.5	23%	0.227	40%	0.396	C	S	.	.	H	α-helix	trans	-91.2	-17.4	-179.2	56.9	0	0	0	0	113.1	R124 E125 L126 R133 V139	R124-T128 HydrophobicContact CG-CG2 4.29Å; R124-T128 WeakPolarHBondContact O-CB 3.37Å; R124-T128 VanDerWaalsContact O-CG2 3.3Å; R124-T128 WeakPolarHBondContact O-CG2 3.48Å; R124-T128 PolarHBondContact O-N 3.37Å; R124-T128 PolarHBondContact O-OG1 3.46Å; E125-T128 PolarHBondContact O-N 3.39Å; E125-T128 PolarHBondContact O-OG1 3.31Å; L126-T128 VanDerWaalsContact C-N 3.29Å; L126-T128 PolarHBondContact O-N 3.17Å; T128-R133 VanDerWaalsContact O-CD 3.29Å; T128-R133 WeakPolarHBondContact O-CD 3.39Å; T128-R133 WeakPolarHBondContact O-CG 3.49Å; T128-V139 HydrophobicContact CG2-CG2 4.02Å
129	T	94.9	Very high	95.1	Very high	64 Å²	64	77.2 Å²	77.2	39%	0.393	39%	0.394	S	S	.	.	H	α-helix	trans	-109	-30	-175.5	63.5	0	0	0	0	114.2	E125 L126 R133	E125-T129 HydrophobicContact CG-CG2 4.25Å; E125-T129 VanDerWaalsContact O-CB 3.26Å; E125-T129 WeakPolarHBondContact O-CB 3.47Å; E125-T129 WeakPolarHBondContact O-CG2 3.42Å; E125-T129 PolarHBondContact O-N 3.37Å; E125-T129 PolarHBondContact O-OG1 2.93Å; L126-T129 PolarHBondContact O-N 3.35Å; T129-R133 PolarHBondContact O-NE 3.03Å; T129-R133 PolarHBondContact O-NH2 2.91Å
130	M	89.7	Confident	95	Very high	101 Å²	101	77.1 Å²	77.1	50%	0.498	40%	0.397	S	S	.	.	S	Bend	trans	-107.6	147.1	-172.7	-56.6	-168.7	-174.4	0	0	112.8	F110 L126	F110-M130 HydrophobicContact CE1-CE 4.35Å; F110-M130 HydrophobicContact CE1-SD 3.95Å; F110-M130 HydrophobicContact CZ-SD 4.06Å; L126-M130 HydrophobicContact CD2-CE 3.35Å; L126-M130 HydrophobicContact CD2-SD 3.75Å; L126-M130 WeakPolarHBondContact O-CB 3.37Å; L126-M130 PolarHBondContact O-N 3.36Å
131	G	89.1	Confident	95	Very high	72 Å²	72	79.1 Å²	79.1	74%	0.742	41%	0.406	S	S	*	.	S	Bend	trans	61.1	-139	172.7	0	0	0	0	0	114.2	R133	G131-R133 PolarHBondContact O-N 2.95Å
132	D	88.3	Confident	94.8	Very high	157 Å²	157	76.2 Å²	76.2	84%	0.84	39%	0.39	S	S	*	.	S	Bend	trans	-74.8	100.6	169.3	-67.5	-30.7	0	0	0	108.2
133	R	93.5	Very high	94.7	Very high	178 Å²	178	73.9 Å²	73.9	67%	0.672	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-74.8	129.5	-168.9	-64.4	173.4	180	165.9	-0.2	111.4	L127 T128 T129 G131	L127-R133 WeakPolarHBondContact O-CA 3.48Å; T128-R133 VanDerWaalsContact O-CD 3.29Å; T128-R133 WeakPolarHBondContact O-CD 3.39Å; T128-R133 WeakPolarHBondContact O-CG 3.49Å; T129-R133 PolarHBondContact O-NE 3.03Å; T129-R133 PolarHBondContact O-NH2 2.91Å; G131-R133 PolarHBondContact O-N 2.95Å
134	F	94.5	Very high	94.6	Very high	81 Å²	81	81.4 Å²	81.4	36%	0.355	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-77.3	148.7	171.2	-77.2	-130.1	0	0	0	109.4	L127 E138 V139	L127-F134 HydrophobicContact CB-CB 4.37Å; L127-F134 HydrophobicContact CB-CG 4.5Å; L127-F134 PolarHBondContact O-N 3.3Å; F134-E138 VanDerWaalsContact CA-OE2 3.24Å; F134-E138 WeakPolarHBondContact CA-OE2 3.46Å; F134-E138 HydrophobicContact CB-CB 4.1Å; F134-E138 HydrophobicContact CD1-CB 3.67Å; F134-E138 HydrophobicContact CG-CB 4.23Å; F134-V139 HydrophobicContact CB-CG2 3.73Å; F134-V139 HydrophobicContact CD1-CG2 4.45Å; F134-V139 HydrophobicContact CG-CG2 4.47Å
135	T	97	Very high	94.1	Very high	65 Å²	65	86.6 Å²	86.6	40%	0.399	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-75.9	161.4	161.6	82.2	0	0	0	0	110.2	E137 E138 V139	T135-E137 VanDerWaalsContact CB-OE2 3.23Å; T135-E137 WeakPolarHBondContact CB-OE2 3.47Å; T135-E137 PolarHBondContact O-N 3.04Å; T135-E137 PolarHBondContact OG1-N 3.44Å; T135-E137 PolarHBondContact OG1-OE2 3.49Å; T135-E138 PolarHBondContact N-OE2 2.81Å; T135-E138 PolarHBondContact O-N 2.96Å; T135-E138 VanDerWaalsContact O-N 3.08Å; T135-E138 PolarHBondContact OG1-N 3.05Å; T135-V139 PolarHBondContact O-N 2.8Å
136	D	96.6	Very high	93.9	Very high	89 Å²	89	81.6 Å²	81.6	48%	0.476	41%	0.411	S	S	.	.	H	α-helix	trans	-57.3	-36.1	175.5	-75.4	-61.1	0	0	0	111.8	R124 V139 D140	R124-D136 PolarHBondContact NH1-O 3.22Å; R124-D136 IonicContact NH1-OD1 3.19Å; D136-V139 PolarHBondContact O-N 2.8Å; D136-D140 WeakPolarHBondContact O-CB 3.26Å; D136-D140 PolarHBondContact O-N 3.23Å
137	E	96.8	Very high	94	Very high	134 Å²	134	82 Å²	82	63%	0.626	42%	0.415	S	S	*	.	H	α-helix	trans	-66.4	-36.6	176.3	-58.3	79.4	-171.4	0	0	112.7	T135 D140 E141	T135-E137 VanDerWaalsContact CB-OE2 3.23Å; T135-E137 WeakPolarHBondContact CB-OE2 3.47Å; T135-E137 PolarHBondContact O-N 3.04Å; T135-E137 PolarHBondContact OG1-N 3.44Å; T135-E137 PolarHBondContact OG1-OE2 3.49Å; E137-D140 PolarHBondContact O-N 3.07Å; E137-E141 WeakPolarHBondContact O-CB 3.26Å; E137-E141 PolarHBondContact O-N 3.22Å
138	E	94.9	Very high	94	Very high	99 Å²	99	82.4 Å²	82.4	46%	0.463	42%	0.417	S	S	.	.	H	α-helix	trans	-69.2	-37.9	176.3	-68.6	175.1	140.7	0	0	111.4	F134 T135 E141 M142	F134-E138 VanDerWaalsContact CA-OE2 3.24Å; F134-E138 WeakPolarHBondContact CA-OE2 3.46Å; F134-E138 HydrophobicContact CB-CB 4.1Å; F134-E138 HydrophobicContact CD1-CB 3.67Å; F134-E138 HydrophobicContact CG-CB 4.23Å; T135-E138 PolarHBondContact N-OE2 2.81Å; T135-E138 PolarHBondContact O-N 2.96Å; T135-E138 VanDerWaalsContact O-N 3.08Å; T135-E138 PolarHBondContact OG1-N 3.05Å; E138-E141 PolarHBondContact O-N 2.87Å; E138-M142 PolarHBondContact O-N 3.22Å
139	V	96.5	Very high	93.9	Very high	0 Å²	0	83.9 Å²	83.9	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-66.1	-43.1	173.2	-179	0	0	0	0	110.7	R124 L127 T128 F134 T135 D136 E141 M142 Y143	R124-V139 HydrophobicContact CB-CG1 4.13Å; R124-V139 HydrophobicContact CG-CG1 4.07Å; L127-V139 HydrophobicContact CB-CG2 4.04Å; L127-V139 HydrophobicContact CD1-CG1 4.42Å; L127-V139 HydrophobicContact CD1-CG2 4.28Å; T128-V139 HydrophobicContact CG2-CG2 4.02Å; F134-V139 HydrophobicContact CB-CG2 3.73Å; F134-V139 HydrophobicContact CD1-CG2 4.45Å; F134-V139 HydrophobicContact CG-CG2 4.47Å; T135-V139 PolarHBondContact O-N 2.8Å; D136-V139 PolarHBondContact O-N 2.8Å; V139-E141 VanDerWaalsContact C-N 3.33Å; V139-E141 PolarHBondContact O-N 2.98Å; V139-M142 WeakPolarHBondContact O-CB 3.28Å; V139-M142 PolarHBondContact O-N 2.97Å; V139-Y143 HydrophobicContact CG1-CD1 4.25Å; V139-Y143 HydrophobicContact CG1-CD2 4.19Å; V139-Y143 HydrophobicContact CG1-CE1 3.87Å; V139-Y143 HydrophobicContact CG1-CE2 3.78Å; V139-Y143 HydrophobicContact CG1-CG 4.41Å; V139-Y143 PolarHBondContact O-N 3.15Å
140	D	96	Very high	93.9	Very high	77 Å²	77	91.3 Å²	91.3	41%	0.412	45%	0.45	S	S	.	.	H	α-helix	trans	-60.8	-42.1	177.1	-73.6	-8.5	0	0	0	111.9	R124 D136 E137 Y143 R144	R124-D140 IonicContact CZ-OD1 3.68Å; R124-D140 IonicContact NH1-OD1 3.71Å; R124-D140 PolarHBondContact NH1-OD1 2.79Å; R124-D140 IonicContact NH2-OD1 2.67Å; R124-D140 PolarHBondContact NH2-OD1 3.25Å; D136-D140 WeakPolarHBondContact O-CB 3.26Å; D136-D140 PolarHBondContact O-N 3.23Å; E137-D140 PolarHBondContact O-N 3.07Å; D140-Y143 PolarHBondContact O-N 3.41Å; D140-R144 WeakPolarHBondContact O-CG 3.49Å; D140-R144 PolarHBondContact O-N 2.91Å
141	E	95.3	Very high	94.2	Very high	103 Å²	103	94.4 Å²	94.4	48%	0.481	46%	0.461	S	S	.	.	H	α-helix	trans	-62.5	-44.4	175.4	-167.7	64.8	-129.7	0	0	111.2	E137 E138 V139 Y143 R144	E137-E141 WeakPolarHBondContact O-CB 3.26Å; E137-E141 PolarHBondContact O-N 3.22Å; E138-E141 PolarHBondContact O-N 2.87Å; V139-E141 VanDerWaalsContact C-N 3.33Å; V139-E141 PolarHBondContact O-N 2.98Å; E141-Y143 VanDerWaalsContact C-N 3.29Å; E141-Y143 PolarHBondContact O-N 3.24Å; E141-R144 PolarHBondContact O-N 3.07Å; E141-R144 IonicContact OE1-CZ 3.64Å; E141-R144 IonicContact OE1-NH1 2.93Å; E141-R144 PolarHBondContact OE1-NH1 2.81Å; E141-R144 IonicContact OE2-CZ 3.03Å; E141-R144 IonicContact OE2-NE 3.89Å; E141-R144 IonicContact OE2-NH1 2.64Å; E141-R144 PolarHBondContact OE2-NH1 3Å; E141-R144 IonicContact OE2-NH2 3.17Å; E141-R144 PolarHBondContact OE2-NH2 2.93Å; E141-R144 VanDerWaalsContact OE2-NH2 3.17Å
142	M	92.8	Very high	94.5	Very high	42 Å²	42	91.2 Å²	91.2	21%	0.207	43%	0.428	C	S	.	.	H	α-helix	trans	-59.8	-40.3	176.8	-170.5	-171.3	72.8	0	0	111.8	L123 L127 E138 V139 R144 A146 F154 F159	L123-M142 HydrophobicContact CD2-CE 4.2Å; L127-M142 HydrophobicContact CD1-CE 3.45Å; L127-M142 VanDerWaalsContact CD1-CE 3.45Å; L127-M142 HydrophobicContact CD1-SD 4.14Å; E138-M142 PolarHBondContact O-N 3.22Å; V139-M142 WeakPolarHBondContact O-CB 3.28Å; V139-M142 PolarHBondContact O-N 2.97Å; M142-R144 VanDerWaalsContact C-N 3.29Å; M142-R144 PolarHBondContact O-N 2.99Å; M142-A146 WeakPolarHBondContact O-CB 3.24Å; M142-F154 HydrophobicContact CE-CE2 4.4Å; M142-F159 HydrophobicContact CG-CE2 4.2Å; M142-F159 HydrophobicContact CG-CZ 4.1Å; M142-F159 HydrophobicContact SD-CZ 4.07Å
143	Y	95	Very high	95	Very high	27 Å²	27	86 Å²	86	11%	0.106	40%	0.4	C	S	.	.	H	α-helix	trans	-70.2	-20	-177.2	-75	1.1	0	0	0	114.2	E120 L123 R124 V139 D140 E141 E145 A146 I148	E120-Y143 HydrophobicContact CB-CE2 3.82Å; E120-Y143 PolarHBondContact O-OH 3.26Å; L123-Y143 WeakPolarHBondContact CB-OH 3.5Å; L123-Y143 HydrophobicContact CD2-CE1 3.92Å; L123-Y143 HydrophobicContact CG-CE1 4.41Å; L123-Y143 WeakPolarHBondContact CG-OH 3.36Å; R124-Y143 PolarHBondContact N-OH 3.17Å; V139-Y143 HydrophobicContact CG1-CD1 4.25Å; V139-Y143 HydrophobicContact CG1-CD2 4.19Å; V139-Y143 HydrophobicContact CG1-CE1 3.87Å; V139-Y143 HydrophobicContact CG1-CE2 3.78Å; V139-Y143 HydrophobicContact CG1-CG 4.41Å; V139-Y143 PolarHBondContact O-N 3.15Å; D140-Y143 PolarHBondContact O-N 3.41Å; E141-Y143 VanDerWaalsContact C-N 3.29Å; E141-Y143 PolarHBondContact O-N 3.24Å; Y143-E145 VanDerWaalsContact C-N 3.32Å; Y143-E145 PolarHBondContact O-N 3.32Å; Y143-A146 PolarHBondContact O-N 2.87Å; Y143-I148 HydrophobicContact CD1-CD1 3.78Å; Y143-I148 HydrophobicContact CD2-CD1 3.98Å; Y143-I148 HydrophobicContact CE1-CD1 4.26Å; Y143-I148 HydrophobicContact CE2-CD1 4.47Å; Y143-I148 HydrophobicContact CG-CD1 3.63Å
144	R	92.8	Very high	95.2	Very high	161 Å²	161	77.5 Å²	77.5	61%	0.608	37%	0.368	S	S	*	.	H	α-helix	trans	-60.4	-39.9	-178.3	-71.1	-177.4	-169.9	155.2	14.1	113.6	D140 E141 M142	D140-R144 WeakPolarHBondContact O-CG 3.49Å; D140-R144 PolarHBondContact O-N 2.91Å; E141-R144 PolarHBondContact O-N 3.07Å; E141-R144 IonicContact OE1-CZ 3.64Å; E141-R144 IonicContact OE1-NH1 2.93Å; E141-R144 PolarHBondContact OE1-NH1 2.81Å; E141-R144 IonicContact OE2-CZ 3.03Å; E141-R144 IonicContact OE2-NE 3.89Å; E141-R144 IonicContact OE2-NH1 2.64Å; E141-R144 PolarHBondContact OE2-NH1 3Å; E141-R144 IonicContact OE2-NH2 3.17Å; E141-R144 PolarHBondContact OE2-NH2 2.93Å; E141-R144 VanDerWaalsContact OE2-NH2 3.17Å; M142-R144 VanDerWaalsContact C-N 3.29Å; M142-R144 PolarHBondContact O-N 2.99Å
145	E	88.7	Confident	95.3	Very high	162 Å²	162	75.1 Å²	75.1	76%	0.757	36%	0.359	S	S	*	.	S	Bend	trans	-108.3	4.6	-177.7	-58.2	-58.5	146.2	0	0	112.2	Y143	Y143-E145 VanDerWaalsContact C-N 3.32Å; Y143-E145 PolarHBondContact O-N 3.32Å
146	A	93	Very high	95.3	Very high	15 Å²	15	72.5 Å²	72.5	12%	0.124	34%	0.342	C	S	.	.	S	Bend	trans	-77.2	145.8	-179.4	0	0	0	0	0	111.9	M142 Y143 I148 F154 F159	M142-A146 WeakPolarHBondContact O-CB 3.24Å; Y143-A146 PolarHBondContact O-N 2.87Å; A146-I148 VanDerWaalsContact C-N 3.27Å; A146-I148 HydrophobicContact CB-CD1 4.04Å; A146-I148 HydrophobicContact CB-CG1 3.94Å; A146-I148 PolarHBondContact O-N 3.09Å; A146-F154 HydrophobicContact CB-CD2 3.91Å; A146-F154 HydrophobicContact CB-CE2 3.63Å; A146-F159 HydrophobicContact CB-CD2 4.29Å
147	P	95.4	Very high	95.2	Very high	23 Å²	23	71.1 Å²	71.1	15%	0.149	34%	0.337	C	S	.	.			trans	-75.7	79.9	173.8	32.7	-34.7	0	0	0	110.5	N155 E158 F159 I162	P147-N155 HydrophobicContact CB-CB 4.15Å; P147-N155 HydrophobicContact CG-CB 4.08Å; P147-N155 WeakPolarHBondContact CG-O 3.28Å; P147-N155 WeakPolarHBondContact O-CB 3.48Å; P147-N155 PolarHBondContact O-N 2.8Å; P147-E158 HydrophobicContact CB-CB 4.19Å; P147-E158 HydrophobicContact CB-CG 3.94Å; P147-E158 HydrophobicContact CG-CB 3.94Å; P147-E158 HydrophobicContact CG-CG 3.99Å; P147-F159 HydrophobicContact CG-CB 3.89Å; P147-I162 HydrophobicContact CG-CD1 4.25Å
148	I	96.3	Very high	95.1	Very high	44 Å²	44	69.3 Å²	69.3	23%	0.226	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-106.9	127	175.7	-56.1	174.9	0	0	0	109.3	E120 Y143 A146 N153 F154	E120-I148 HydrophobicContact CB-CD1 4.43Å; E120-I148 WeakPolarHBondContact OE2-CG2 3.39Å; Y143-I148 HydrophobicContact CD1-CD1 3.78Å; Y143-I148 HydrophobicContact CD2-CD1 3.98Å; Y143-I148 HydrophobicContact CE1-CD1 4.26Å; Y143-I148 HydrophobicContact CE2-CD1 4.47Å; Y143-I148 HydrophobicContact CG-CD1 3.63Å; A146-I148 VanDerWaalsContact C-N 3.27Å; A146-I148 HydrophobicContact CB-CD1 4.04Å; A146-I148 HydrophobicContact CB-CG1 3.94Å; A146-I148 PolarHBondContact O-N 3.09Å; I148-N153 WeakPolarHBondContact CA-O 3.26Å; I148-F154 HydrophobicContact CD1-CD2 4.19Å; I148-F154 HydrophobicContact CG1-CB 4.17Å; I148-F154 HydrophobicContact CG1-CD2 3.81Å; I148-F154 HydrophobicContact CG1-CG 4.47Å
149	D	95.7	Very high	95.1	Very high	68 Å²	68	66 Å²	66	36%	0.364	31%	0.312	S	S	.	.			trans	-77.2	172.4	177.8	80.6	5.2	0	0	0	112.6	K151 G152 N153	D149-K151 PolarHBondContact O-N 2.67Å; D149-K151 VanDerWaalsContact OD1-C 3.29Å; D149-K151 VanDerWaalsContact OD1-CA 3.26Å; D149-K151 WeakPolarHBondContact OD1-CA 3.3Å; D149-K151 WeakPolarHBondContact OD1-CB 3.48Å; D149-K151 PolarHBondContact OD1-N 2.87Å; D149-G152 PolarHBondContact O-N 3.19Å; D149-G152 PolarHBondContact OD1-N 3.44Å; D149-G152 VanDerWaalsContact OD1-N 3.09Å; D149-N153 PolarHBondContact N-O 3.31Å; D149-N153 WeakPolarHBondContact OD1-CB 3.47Å; D149-N153 PolarHBondContact OD1-N 3.33Å; D149-N153 PolarHBondContact OD1-ND2 3.08Å; D149-N153 PolarHBondContact OD2-ND2 2.74Å
150	K	94.3	Very high	94.8	Very high	219 Å²	219	66 Å²	66	95%	0.952	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-8.1	179.1	-64.3	-175.9	179.6	-179.4	0	114.5
151	K	95.8	Very high	94.5	Very high	167 Å²	167	67.9 Å²	67.9	73%	0.726	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	6.5	177.8	-59.7	178.3	178.8	178.2	0	111.4	H119 D149	H119-K151 PolarHBondContact CE1-O 2.92Å; D149-K151 PolarHBondContact O-N 2.67Å; D149-K151 VanDerWaalsContact OD1-C 3.29Å; D149-K151 VanDerWaalsContact OD1-CA 3.26Å; D149-K151 WeakPolarHBondContact OD1-CA 3.3Å; D149-K151 WeakPolarHBondContact OD1-CB 3.48Å; D149-K151 PolarHBondContact OD1-N 2.87Å
152	G	96.3	Very high	94.2	Very high	5 Å²	5	65.3 Å²	65.3	5%	0.052	30%	0.303	C	S	.	.	S	Bend	trans	77.8	19.3	-179.2	0	0	0	0	0	113.5	H119 E120 D149	H119-G152 CarbonylContact C-O 3.56Å; H119-G152 PolarHBondContact ND1-O 3.38Å; E120-G152 WeakPolarHBondContact CB-O 3.32Å; E120-G152 PolarHBondContact N-O 3.07Å; D149-G152 PolarHBondContact O-N 3.19Å; D149-G152 PolarHBondContact OD1-N 3.44Å; D149-G152 VanDerWaalsContact OD1-N 3.09Å
153	N	97.5	Very high	93.9	Very high	46 Å²	46	67 Å²	67	25%	0.246	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.8	176.6	-55.8	-51.2	0	0	0	110.1	F117 I148 D149	F117-N153 HydrophobicContact CB-CB 4.26Å; F117-N153 HydrophobicContact CD1-CB 3.91Å; F117-N153 HydrophobicContact CG-CB 4.35Å; I148-N153 WeakPolarHBondContact CA-O 3.26Å; D149-N153 PolarHBondContact N-O 3.31Å; D149-N153 WeakPolarHBondContact OD1-CB 3.47Å; D149-N153 PolarHBondContact OD1-N 3.33Å; D149-N153 PolarHBondContact OD1-ND2 3.08Å; D149-N153 PolarHBondContact OD2-ND2 2.74Å
154	F	97.6	Very high	93.2	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	117.1	174.7	176	-91.9	0	0	0	110.5	F107 F117 I118 L123 M142 A146 I148 Y156 F159	F107-F154 HydrophobicContact CD1-CE1 4.39Å; F107-F154 AromaticContact CE1-CE1 3.85Å; F107-F154 HydrophobicContact CE1-CE1 3.85Å; F107-F154 HydrophobicContact CE1-CZ 4.42Å; F107-F154 AromaticContact CZ-CE1 3.99Å; F107-F154 HydrophobicContact CZ-CE1 3.99Å; F107-F154 HydrophobicContact CZ-CZ 4.26Å; F117-F154 VanDerWaalsContact CA-O 3.26Å; F117-F154 WeakPolarHBondContact CA-O 3.23Å; I118-F154 PolarHBondContact N-O 3.25Å; I118-F154 WeakPolarHBondContact O-CA 3.46Å; I118-F154 VanDerWaalsContact O-CB 3.28Å; I118-F154 WeakPolarHBondContact O-CB 3.49Å; I118-F154 PolarHBondContact O-N 3.37Å; L123-F154 HydrophobicContact CD2-CB 4.09Å; L123-F154 HydrophobicContact CD2-CD1 3.55Å; L123-F154 HydrophobicContact CD2-CD2 3.79Å; L123-F154 HydrophobicContact CD2-CE1 3.74Å; L123-F154 HydrophobicContact CD2-CE2 3.97Å; L123-F154 HydrophobicContact CD2-CG 3.56Å; L123-F154 HydrophobicContact CD2-CZ 3.93Å; M142-F154 HydrophobicContact CE-CE2 4.4Å; A146-F154 HydrophobicContact CB-CD2 3.91Å; A146-F154 HydrophobicContact CB-CE2 3.63Å; I148-F154 HydrophobicContact CD1-CD2 4.19Å; I148-F154 HydrophobicContact CG1-CB 4.17Å; I148-F154 HydrophobicContact CG1-CD2 3.81Å; I148-F154 HydrophobicContact CG1-CG 4.47Å; F154-Y156 PolarHBondContact O-N 3.03Å; F154-F159 HydrophobicContact CE1-CB 4Å; F154-F159 HydrophobicContact CE1-CD1 4.24Å; F154-F159 HydrophobicContact CE1-CG 4.11Å; F154-F159 HydrophobicContact CE2-CB 4.16Å; F154-F159 HydrophobicContact CE2-CD1 4.48Å; F154-F159 AromaticContact CE2-CD2 3.75Å; F154-F159 HydrophobicContact CE2-CD2 3.75Å; F154-F159 HydrophobicContact CE2-CE2 4.22Å; F154-F159 AromaticContact CE2-CG 3.88Å; F154-F159 HydrophobicContact CE2-CG 3.88Å; F154-F159 HydrophobicContact CZ-CB 3.55Å; F154-F159 AromaticContact CZ-CD1 3.54Å; F154-F159 HydrophobicContact CZ-CD1 3.54Å; F154-F159 AromaticContact CZ-CD2 3.61Å; F154-F159 HydrophobicContact CZ-CD2 3.61Å; F154-F159 HydrophobicContact CZ-CE1 4.07Å; F154-F159 HydrophobicContact CZ-CE2 4.13Å; F154-F159 AromaticContact CZ-CG 3.27Å; F154-F159 HydrophobicContact CZ-CG 3.27Å; F154-F159 HydrophobicContact CZ-CZ 4.34Å
155	N	97.3	Very high	92.7	Very high	31 Å²	31	66.9 Å²	66.9	17%	0.166	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	89.5	176.7	-174.9	-12.7	0	0	0	110.3	F117 P147 V157 E158 F159	F117-N155 HydrophobicContact CD1-CB 3.94Å; F117-N155 HydrophobicContact CE1-CB 3.62Å; F117-N155 HydrophobicContact CZ-CB 4.48Å; P147-N155 HydrophobicContact CB-CB 4.15Å; P147-N155 HydrophobicContact CG-CB 4.08Å; P147-N155 WeakPolarHBondContact CG-O 3.28Å; P147-N155 WeakPolarHBondContact O-CB 3.48Å; P147-N155 PolarHBondContact O-N 2.8Å; N155-V157 PolarHBondContact O-N 3.2Å; N155-V157 PolarHBondContact OD1-N 2.64Å; N155-E158 HydrophobicContact CB-CB 4.1Å; N155-E158 VanDerWaalsContact CG-CB 3.44Å; N155-E158 VanDerWaalsContact ND2-CB 3.28Å; N155-E158 WeakPolarHBondContact ND2-CB 3.3Å; N155-E158 PolarHBondContact ND2-OE2 3.03Å; N155-E158 PolarHBondContact O-N 3.38Å; N155-E158 PolarHBondContact OD1-N 3.37Å; N155-F159 WeakPolarHBondContact O-CB 3.29Å; N155-F159 PolarHBondContact O-N 3.38Å
156	Y	96.2	Very high	92.3	Very high	11 Å²	11	61.2 Å²	61.2	4%	0.043	30%	0.303	C	S	.	.	H	α-helix	trans	-68.1	-22.8	-177.1	65.5	-100.5	0	0	0	113.1	R104 F107 D111 G116 F117 I118 F154 T160	R104-Y156 HydrophobicContact CG-CD2 4.23Å; R104-Y156 HydrophobicContact CG-CE2 3.94Å; F107-Y156 HydrophobicContact CB-CD1 4.01Å; F107-Y156 HydrophobicContact CB-CD2 3.44Å; F107-Y156 VanDerWaalsContact CB-CD2 3.44Å; F107-Y156 HydrophobicContact CB-CE2 4.02Å; F107-Y156 HydrophobicContact CB-CG 3.45Å; F107-Y156 VanDerWaalsContact CB-CG 3.45Å; F107-Y156 HydrophobicContact CD2-CD2 4.38Å; F107-Y156 HydrophobicContact CD2-CG 4.36Å; F107-Y156 HydrophobicContact CG-CD2 4.15Å; F107-Y156 AromaticContact CG-CG 3.91Å; F107-Y156 HydrophobicContact CG-CG 3.91Å; D111-Y156 HydrophobicContact CB-CE1 3.78Å; D111-Y156 VanDerWaalsContact OD2-CE1 3.28Å; D111-Y156 WeakPolarHBondContact OD2-CE1 3.4Å; D111-Y156 PolarHBondContact OD2-OH 2.9Å; G116-Y156 VanDerWaalsContact C-CD1 3.46Å; G116-Y156 WeakPolarHBondContact CA-OH 3.38Å; G116-Y156 VanDerWaalsContact O-CD1 3.24Å; G116-Y156 WeakPolarHBondContact O-CD1 3.29Å; G116-Y156 WeakPolarHBondContact O-CE1 3.26Å; G116-Y156 PolarHBondContact O-N 3.28Å; F117-Y156 VanDerWaalsContact N-CE1 3.28Å; I118-Y156 HydrophobicContact CD1-CD1 4.05Å; I118-Y156 HydrophobicContact CG1-CD1 3.93Å; I118-Y156 HydrophobicContact CG1-CE1 4.2Å; F154-Y156 PolarHBondContact O-N 3.03Å; Y156-T160 VanDerWaalsContact O-CB 3.32Å; Y156-T160 WeakPolarHBondContact O-CB 3.48Å; Y156-T160 PolarHBondContact O-N 3.42Å; Y156-T160 PolarHBondContact O-OG1 3.23Å
157	V	95.4	Very high	91.5	Very high	60 Å²	60	64 Å²	64	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-68.5	-48.2	175.9	-179.1	0	0	0	0	110.2	N155 R161	N155-V157 PolarHBondContact O-N 3.2Å; N155-V157 PolarHBondContact OD1-N 2.64Å; V157-R161 PolarHBondContact O-N 2.91Å
158	E	94.6	Very high	90	Very high	95 Å²	95	69.8 Å²	69.8	44%	0.444	35%	0.349	S	S	.	.	H	α-helix	trans	-68.9	-39.8	175.6	-177.3	171.3	-163.1	0	0	111.9	P147 N155 T160 R161 I162	P147-E158 HydrophobicContact CB-CB 4.19Å; P147-E158 HydrophobicContact CB-CG 3.94Å; P147-E158 HydrophobicContact CG-CB 3.94Å; P147-E158 HydrophobicContact CG-CG 3.99Å; N155-E158 HydrophobicContact CB-CB 4.1Å; N155-E158 VanDerWaalsContact CG-CB 3.44Å; N155-E158 VanDerWaalsContact ND2-CB 3.28Å; N155-E158 WeakPolarHBondContact ND2-CB 3.3Å; N155-E158 PolarHBondContact ND2-OE2 3.03Å; N155-E158 PolarHBondContact O-N 3.38Å; N155-E158 PolarHBondContact OD1-N 3.37Å; E158-T160 VanDerWaalsContact C-N 3.33Å; E158-T160 PolarHBondContact O-N 3.49Å; E158-R161 WeakPolarHBondContact O-CB 3.42Å; E158-R161 PolarHBondContact O-N 2.75Å; E158-I162 HydrophobicContact CG-CD1 3.95Å; E158-I162 HydrophobicContact CG-CG1 4.45Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.35Å
159	F	94.3	Very high	88.2	Confident	30 Å²	30	74.6 Å²	74.6	13%	0.132	38%	0.375	C	S	.	.	H	α-helix	trans	-59.3	-45.5	175.8	179.3	-99.3	0	0	0	111.4	F107 M142 A146 P147 F154 N155 R161 I162 L163	F107-F159 HydrophobicContact CE2-CD1 4.07Å; F107-F159 HydrophobicContact CE2-CE1 4.38Å; F107-F159 HydrophobicContact CZ-CD1 4.08Å; F107-F159 HydrophobicContact CZ-CE1 4.15Å; M142-F159 HydrophobicContact CG-CE2 4.2Å; M142-F159 HydrophobicContact CG-CZ 4.1Å; M142-F159 HydrophobicContact SD-CZ 4.07Å; A146-F159 HydrophobicContact CB-CD2 4.29Å; P147-F159 HydrophobicContact CG-CB 3.89Å; F154-F159 HydrophobicContact CE1-CB 4Å; F154-F159 HydrophobicContact CE1-CD1 4.24Å; F154-F159 HydrophobicContact CE1-CG 4.11Å; F154-F159 HydrophobicContact CE2-CB 4.16Å; F154-F159 HydrophobicContact CE2-CD1 4.48Å; F154-F159 AromaticContact CE2-CD2 3.75Å; F154-F159 HydrophobicContact CE2-CD2 3.75Å; F154-F159 HydrophobicContact CE2-CE2 4.22Å; F154-F159 AromaticContact CE2-CG 3.88Å; F154-F159 HydrophobicContact CE2-CG 3.88Å; F154-F159 HydrophobicContact CZ-CB 3.55Å; F154-F159 AromaticContact CZ-CD1 3.54Å; F154-F159 HydrophobicContact CZ-CD1 3.54Å; F154-F159 AromaticContact CZ-CD2 3.61Å; F154-F159 HydrophobicContact CZ-CD2 3.61Å; F154-F159 HydrophobicContact CZ-CE1 4.07Å; F154-F159 HydrophobicContact CZ-CE2 4.13Å; F154-F159 AromaticContact CZ-CG 3.27Å; F154-F159 HydrophobicContact CZ-CG 3.27Å; F154-F159 HydrophobicContact CZ-CZ 4.34Å; N155-F159 WeakPolarHBondContact O-CB 3.29Å; N155-F159 PolarHBondContact O-N 3.38Å; F159-R161 VanDerWaalsContact C-N 3.27Å; F159-R161 PolarHBondContact O-N 3.27Å; F159-I162 PolarHBondContact O-N 3.05Å; F159-I162 VanDerWaalsContact O-N 3.17Å; F159-L163 HydrophobicContact CE1-CD2 4.17Å; F159-L163 VanDerWaalsContact O-CB 3.29Å; F159-L163 WeakPolarHBondContact O-CB 3.5Å; F159-L163 PolarHBondContact O-N 3.48Å
160	T	91.3	Very high	86.2	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-60.6	-40.3	177.9	-55.4	0	0	0	0	111.2	E100 I103 Y156 E158 L163 K164	E100-T160 HydrophobicContact CB-CG2 4.27Å; E100-T160 HydrophobicContact CG-CG2 3.73Å; I103-T160 HydrophobicContact CB-CG2 3.66Å; I103-T160 HydrophobicContact CD1-CG2 4.16Å; I103-T160 HydrophobicContact CG2-CG2 3.68Å; Y156-T160 VanDerWaalsContact O-CB 3.32Å; Y156-T160 WeakPolarHBondContact O-CB 3.48Å; Y156-T160 PolarHBondContact O-N 3.42Å; Y156-T160 PolarHBondContact O-OG1 3.23Å; E158-T160 VanDerWaalsContact C-N 3.33Å; E158-T160 PolarHBondContact O-N 3.49Å; T160-L163 PolarHBondContact O-N 2.9Å; T160-K164 WeakPolarHBondContact O-CB 3.37Å; T160-K164 PolarHBondContact O-N 2.96Å
161	R	88.7	Confident	83.8	Confident	116 Å²	116	78 Å²	78	44%	0.438	39%	0.394	S	S	.	.	H	α-helix	trans	-62.9	-46.5	174.8	-174.2	-158.9	-178.8	157.2	19.3	111.8	V157 E158 F159 L163 K164 H165 K168	V157-R161 PolarHBondContact O-N 2.91Å; E158-R161 WeakPolarHBondContact O-CB 3.42Å; E158-R161 PolarHBondContact O-N 2.75Å; F159-R161 VanDerWaalsContact C-N 3.27Å; F159-R161 PolarHBondContact O-N 3.27Å; R161-L163 VanDerWaalsContact C-N 3.31Å; R161-L163 PolarHBondContact O-N 2.97Å; R161-K164 PolarHBondContact O-N 2.94Å; R161-H165 WeakPolarHBondContact O-CB 3.29Å; R161-H165 PolarHBondContact O-N 3.21Å; R161-K168 VanDerWaalsContact CZ-CE 3.44Å
162	I	89.1	Confident	81.2	Confident	50 Å²	50	81.1 Å²	81.1	26%	0.256	42%	0.419	S	S	.	.	H	α-helix	trans	-60.6	-44.8	177.7	-68.9	165.6	0	0	0	110	P147 E158 F159 K164 G166	P147-I162 HydrophobicContact CG-CD1 4.25Å; E158-I162 HydrophobicContact CG-CD1 3.95Å; E158-I162 HydrophobicContact CG-CG1 4.45Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.35Å; F159-I162 PolarHBondContact O-N 3.05Å; F159-I162 VanDerWaalsContact O-N 3.17Å; I162-K164 PolarHBondContact O-N 3.35Å; I162-G166 CarbonylContact O-C 3.6Å; I162-G166 WeakPolarHBondContact O-CA 3.35Å; I162-G166 PolarHBondContact O-N 3.32Å
163	L	86	Confident	80.4	Confident	78 Å²	78	85 Å²	85	41%	0.408	44%	0.437	S	S	.	.	H	α-helix	trans	-60.2	-32.6	177.9	-176.6	62.9	0	0	0	112.5	T97 I103 F159 T160 R161	T97-L163 HydrophobicContact CG2-CD1 4.01Å; T97-L163 HydrophobicContact CG2-CD2 4.02Å; T97-L163 HydrophobicContact CG2-CG 3.94Å; I103-L163 HydrophobicContact CD1-CD2 4.04Å; F159-L163 HydrophobicContact CE1-CD2 4.17Å; F159-L163 VanDerWaalsContact O-CB 3.29Å; F159-L163 WeakPolarHBondContact O-CB 3.5Å; F159-L163 PolarHBondContact O-N 3.48Å; T160-L163 PolarHBondContact O-N 2.9Å; R161-L163 VanDerWaalsContact C-N 3.31Å; R161-L163 PolarHBondContact O-N 2.97Å
164	K	82	Confident	79.5	Confident	48 Å²	48	87 Å²	87	21%	0.209	45%	0.447	C	S	.	.	H	α-helix	trans	-91	-31.5	-179	-79.8	-60.1	-162.2	-169.5	0	115.7	T97 D98 E100 T160 R161 I162	T97-K164 PolarHBondContact O-NZ 3.25Å; T97-K164 WeakPolarHBondContact OG1-CD 3.18Å; T97-K164 WeakPolarHBondContact OG1-CE 3.34Å; T97-K164 PolarHBondContact OG1-NZ 2.82Å; D98-K164 WeakPolarHBondContact O-CE 3.26Å; D98-K164 PolarHBondContact O-NZ 2.62Å; E100-K164 HydrophobicContact CB-CG 4.21Å; T160-K164 WeakPolarHBondContact O-CB 3.37Å; T160-K164 PolarHBondContact O-N 2.96Å; R161-K164 PolarHBondContact O-N 2.94Å; I162-K164 PolarHBondContact O-N 3.35Å
165	H	82.3	Confident	78.5	Confident	137 Å²	137	91.8 Å²	91.8	63%	0.634	47%	0.472	S	S	*	.	H	α-helix	trans	-125.4	0	-168.8	-59.7	-55.4	0	0	0	113.6	E100 R161	E100-H165 IonicContact OE2-NE2 3.75Å; R161-H165 WeakPolarHBondContact O-CB 3.29Å; R161-H165 PolarHBondContact O-N 3.21Å
166	G	79.1	Confident	77.4	Confident	42 Å²	42	95.4 Å²	95.4	43%	0.433	49%	0.49	S	S	.	.			trans	78.6	170.2	-169.4	0	0	0	0	0	112.5	I162	I162-G166 CarbonylContact O-C 3.6Å; I162-G166 WeakPolarHBondContact O-CA 3.35Å; I162-G166 PolarHBondContact O-N 3.32Å
167	A	75.5	Confident	76.2	Confident	74 Å²	74	100.7 Å²	100.7	61%	0.612	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-64.9	140.3	170.1	0	0	0	0	0	109.5	D169	A167-D169 PolarHBondContact O-N 3Å
168	K	65.4	Low	74.9	Confident	144 Å²	144	103.4 Å²	103.4	63%	0.626	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-67.3	124.5	164.9	-80.7	-169.9	167.4	-167.7	0	108.5	R161 K170	R161-K168 VanDerWaalsContact CZ-CE 3.44Å; K168-K170 PolarHBondContact O-N 3.19Å
169	D	58.5	Low	73.5	Confident	145 Å²	145	104 Å²	104	78%	0.775	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-54.9	127.8	162.8	-66.6	-41.5	0	0	0	108	A167 D171	A167-D169 PolarHBondContact O-N 3Å; D169-D171 PolarHBondContact O-N 3.04Å
170	K	53.4	Low	71.9	Confident	205 Å²	205	109.7 Å²	109.7	89%	0.891	57%	0.566	S	S	*	*	S	Bend	trans	-76.2	21.7	-179.5	-80.4	-168.3	177.5	176.2	0	113.4	K168	K168-K170 PolarHBondContact O-N 3.19Å
171	D	44.2	Very low	70.3	Confident	154 Å²	154	118.8 Å²	118.8	82%	0.824	61%	0.613	S	S	*	*			trans	-106.8	45.6	-177.5	-71.1	-22.8	0	0	0	112.6	D169	D169-D171 PolarHBondContact O-N 3.04Å
172	D	39.5	Very low	68.6	Low	233 Å²	233	119.1 Å²	119.1	100%	1.246	63%	0.629	S	S	*	*			trans	-118.1	0	158.4	-90.8	-23.3	0	0	0	110.5

Retrieved 172 of 172 residues in 320.5 ms (Link to these results)

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