A0A077Z9W3_TRITR Loading...

Myosin regulatory light chain 1

AlphaFold DB , UniProt , Accession A0A077Z9W3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 171 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	39	Very low	36.3	Very low	247 Å²	247	153.2 Å²	153.2	100%	1.217	86%	0.862	S	S	*	*				0	132.4	0	-90.7	-178.1	169.4	0	0	108.8
2	A	38.6	Very low	36.3	Very low	107 Å²	107	160.8 Å²	160.8	88%	0.884	87%	0.867	S	S	*	*			trans	67.1	97.6	166	0	0	0	0	0	120.3
3	S	38	Very low	36.4	Very low	121 Å²	121	163.7 Å²	163.7	85%	0.846	87%	0.867	S	S	*	*			trans	-75.4	148.1	157.9	-57.7	0	0	0	0	112.3
4	R	36.9	Very low	36.3	Very low	225 Å²	225	168.7 Å²	168.7	85%	0.849	87%	0.868	S	S	*	*			trans	175.8	145	155	-101.2	178.9	165.6	-170.7	-5.7	107
5	F	37.2	Very low	36.6	Very low	172 Å²	172	165.4 Å²	165.4	75%	0.754	86%	0.861	S	S	*	*			cis	-157.6	145.7	12.5	-137.7	-80.8	0	0	0	108.4
6	K	35.8	Very low	36.8	Very low	182 Å²	182	165.9 Å²	165.9	79%	0.791	86%	0.858	S	S	*	*			trans	-84.9	112	179.2	-174	171.7	-176.1	171.2	0	109.6
7	G	34	Very low	37.1	Very low	81 Å²	81	169.4 Å²	169.4	84%	0.835	86%	0.857	S	S	*	*			trans	-86.3	103.3	170	0	0	0	0	0	110.8	G9	G7-G9 PolarHBondContact O-N 3.41Å
8	R	33.7	Very low	37.7	Very low	227 Å²	227	163.1 Å²	163.1	86%	0.857	84%	0.836	S	S	*	*			trans	-78.5	107.4	166.4	-74.5	172.3	89.6	166.2	2.9	107.6	L10	R8-L10 PolarHBondContact O-N 3.19Å
9	G	34.7	Very low	38.3	Very low	76 Å²	76	157.9 Å²	157.9	78%	0.784	81%	0.813	S	S	*	*			trans	-63.7	120.7	166.4	0	0	0	0	0	109.7	G7 G11	G7-G9 PolarHBondContact O-N 3.41Å; G9-G11 PolarHBondContact O-N 2.97Å
10	L	38.2	Very low	39	Very low	174 Å²	174	154.8 Å²	154.8	91%	0.911	81%	0.805	S	S	*	*			trans	-60	117.5	173.9	-75.6	152.2	0	0	0	108.9	R8 R12	R8-L10 PolarHBondContact O-N 3.19Å; L10-R12 PolarHBondContact O-N 3.49Å; L10-R12 VanDerWaalsContact O-N 3.09Å
11	G	33.1	Very low	40.3	Very low	73 Å²	73	153.1 Å²	153.1	75%	0.753	80%	0.797	S	S	*	*			trans	-59.2	112.3	170.6	0	0	0	0	0	109.2	G9 K13	G9-G11 PolarHBondContact O-N 2.97Å; G11-K13 PolarHBondContact O-N 3.42Å
12	R	36.8	Very low	41.8	Very low	244 Å²	244	141.6 Å²	141.6	92%	0.921	74%	0.741	S	S	*	*			trans	-64.7	98	172.4	-163	166.8	123	171.7	2.1	107.5	L10 R14	L10-R12 PolarHBondContact O-N 3.49Å; L10-R12 VanDerWaalsContact O-N 3.09Å; R12-R14 PolarHBondContact O-N 3Å; R12-R14 VanDerWaalsContact O-N 3.11Å
13	K	37.7	Very low	43.5	Very low	199 Å²	199	140.8 Å²	140.8	87%	0.865	72%	0.718	S	S	*	*			trans	-56.9	115.7	169.5	-77.8	-173.5	174.6	-178.2	0	107.1	G11	G11-K13 PolarHBondContact O-N 3.42Å
14	R	33.9	Very low	45.4	Very low	234 Å²	234	138.8 Å²	138.8	88%	0.883	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-62.9	133.4	172.1	-80.8	176.9	154.7	-175.9	-6.1	108.1	R12 H16	R12-R14 PolarHBondContact O-N 3Å; R12-R14 VanDerWaalsContact O-N 3.11Å; R14-H16 PolarHBondContact O-N 3.01Å
15	P	40.7	Very low	47.2	Very low	119 Å²	119	132.1 Å²	132.1	77%	0.773	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-62.8	129.4	170.7	26.4	-30.4	0	0	0	108	R17	P15-R17 PolarHBondContact O-N 3.48Å
16	H	40.8	Very low	49.3	Very low	174 Å²	174	124.7 Å²	124.7	81%	0.806	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-58.1	122.8	178.9	-158.1	-89.5	0	0	0	108.5	R14 A18	R14-H16 PolarHBondContact O-N 3.01Å; H16-A18 PolarHBondContact O-N 2.63Å
17	R	42.1	Very low	51.6	Low	224 Å²	224	120.3 Å²	120.3	85%	0.845	64%	0.64	S	S	*	*			trans	-70.7	64.1	174.7	-87.8	179	158.2	170.3	-7.6	110.1	P15 T19	P15-R17 PolarHBondContact O-N 3.48Å; R17-T19 VanDerWaalsContact C-N 3.33Å
18	A	48.2	Very low	54.1	Low	57 Å²	57	124.7 Å²	124.7	47%	0.471	64%	0.639	S	S	.	*			trans	-79.8	-20.4	170.8	0	0	0	0	0	111.8	H16 S20	H16-A18 PolarHBondContact O-N 2.63Å; A18-S20 PolarHBondContact O-N 3.35Å
19	T	48	Very low	56.6	Low	65 Å²	65	116.7 Å²	116.7	40%	0.399	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.4	-16.9	-168.2	57.1	0	0	0	0	115.6	R17 N21 T84	R17-T19 VanDerWaalsContact C-N 3.33Å; T19-N21 PolarHBondContact O-N 2.96Å; T19-T84 HydrophobicContact CG2-CG2 3.76Å
20	S	52.3	Low	59	Low	94 Å²	94	116.4 Å²	116.4	66%	0.657	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-12.2	-168.4	-56.6	0	0	0	0	115	A18	A18-S20 PolarHBondContact O-N 3.35Å
21	N	66.7	Low	61.4	Low	121 Å²	121	109.8 Å²	109.8	65%	0.647	57%	0.565	S	S	*	*	S	Bend	trans	-111.7	-8.4	-177.9	-137.8	27.8	0	0	0	114.3	T19 F23 A24	T19-N21 PolarHBondContact O-N 2.96Å; N21-F23 VanDerWaalsContact C-N 3.32Å; N21-F23 PolarHBondContact O-N 3.25Å; N21-A24 WeakPolarHBondContact O-CB 3.39Å; N21-A24 PolarHBondContact O-N 3.24Å
22	V	71.4	Confident	64.2	Low	5 Å²	5	110.7 Å²	110.7	3%	0.03	55%	0.55	C	S	.	.	G	3₁₀ helix	trans	-64.1	-37.5	-175.3	71.3	0	0	0	0	112.6	A24 M25 F26 T84 L87	V22-A24 PolarHBondContact O-N 3.43Å; V22-M25 HydrophobicContact CB-SD 4.46Å; V22-M25 HydrophobicContact CG2-SD 4.17Å; V22-M25 VanDerWaalsContact O-CB 3.3Å; V22-M25 WeakPolarHBondContact O-CB 3.42Å; V22-M25 WeakPolarHBondContact O-CG 3.28Å; V22-M25 PolarHBondContact O-N 3.23Å; V22-M25 VanDerWaalsContact O-N 3.11Å; V22-F26 HydrophobicContact CG2-CE2 4.17Å; V22-F26 WeakPolarHBondContact O-CD2 3.28Å; V22-T84 HydrophobicContact CG1-CG2 4.23Å; V22-L87 HydrophobicContact CG1-CB 4.41Å; V22-L87 HydrophobicContact CG2-CB 3.95Å; V22-L87 WeakPolarHBondContact CG2-O 3.45Å
23	F	72.3	Confident	66.7	Low	90 Å²	90	105.3 Å²	105.3	40%	0.395	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-66.9	-20.3	177	-74.4	-84.9	0	0	0	113.3	N21 M25 I31 F83 T84 L87	N21-F23 VanDerWaalsContact C-N 3.32Å; N21-F23 PolarHBondContact O-N 3.25Å; F23-M25 PolarHBondContact O-N 3.39Å; F23-I31 HydrophobicContact CD1-CD1 3.97Å; F23-I31 HydrophobicContact CD1-CG1 4.41Å; F23-I31 HydrophobicContact CD1-CG2 4.41Å; F23-I31 HydrophobicContact CE1-CG2 4.25Å; F23-F83 HydrophobicContact CE1-CE1 4.22Å; F23-F83 HydrophobicContact CZ-CD1 4.48Å; F23-F83 HydrophobicContact CZ-CE1 4.4Å; F23-T84 HydrophobicContact CE2-CG2 4.19Å; F23-L87 HydrophobicContact CD1-CD1 3.86Å; F23-L87 HydrophobicContact CE1-CD1 3.34Å; F23-L87 HydrophobicContact CE2-CD1 4.28Å; F23-L87 HydrophobicContact CZ-CD1 3.59Å
24	A	78.3	Confident	69.3	Low	79 Å²	79	97.4 Å²	97.4	65%	0.653	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-78.2	-12.8	176.6	0	0	0	0	0	112.6	N21 V22	N21-A24 WeakPolarHBondContact O-CB 3.39Å; N21-A24 PolarHBondContact O-N 3.24Å; V22-A24 PolarHBondContact O-N 3.43Å
25	M	75.6	Confident	72.2	Confident	85 Å²	85	91 Å²	91	42%	0.419	48%	0.479	S	S	.	.	S	Bend	trans	-84.8	-19.4	-177.1	-54.8	173	72.2	0	0	112.6	V22 F23 T95	V22-M25 HydrophobicContact CB-SD 4.46Å; V22-M25 HydrophobicContact CG2-SD 4.17Å; V22-M25 VanDerWaalsContact O-CB 3.3Å; V22-M25 WeakPolarHBondContact O-CB 3.42Å; V22-M25 WeakPolarHBondContact O-CG 3.28Å; V22-M25 PolarHBondContact O-N 3.23Å; V22-M25 VanDerWaalsContact O-N 3.11Å; F23-M25 PolarHBondContact O-N 3.39Å; M25-T95 HydrophobicContact CE-CG2 2.95Å
26	F	81.3	Confident	74.7	Confident	16 Å²	16	90.7 Å²	90.7	7%	0.07	47%	0.468	C	S	.	.	S	Bend	trans	-118.8	141.4	-175.3	-61.1	-66.9	0	0	0	109.9	V22 Q30 I31 F34 L87 F90 G91 L94	V22-F26 HydrophobicContact CG2-CE2 4.17Å; V22-F26 WeakPolarHBondContact O-CD2 3.28Å; F26-Q30 HydrophobicContact CB-CB 4.14Å; F26-Q30 HydrophobicContact CD1-CB 4.35Å; F26-I31 HydrophobicContact CB-CD1 4.23Å; F26-I31 HydrophobicContact CB-CG1 3.69Å; F26-F34 AromaticContact CD1-CE2 3.73Å; F26-F34 HydrophobicContact CD1-CE2 3.73Å; F26-F34 AromaticContact CE1-CE2 3.57Å; F26-F34 HydrophobicContact CE1-CE2 3.57Å; F26-F34 HydrophobicContact CE1-CZ 4.08Å; F26-F34 HydrophobicContact CG-CE2 4.25Å; F26-F34 AromaticContact CZ-CE2 3.95Å; F26-F34 HydrophobicContact CZ-CE2 3.95Å; F26-F34 HydrophobicContact CZ-CZ 4.36Å; F26-L87 HydrophobicContact CD2-CD2 4.4Å; F26-L87 HydrophobicContact CE2-CD2 4.4Å; F26-F90 HydrophobicContact CZ-CB 4.45Å; F26-G91 VanDerWaalsContact CZ-CA 3.41Å; F26-L94 HydrophobicContact CE1-CD1 3.68Å; F26-L94 HydrophobicContact CZ-CD1 4.17Å
27	N	84.8	Confident	77.2	Confident	89 Å²	89	84.5 Å²	84.5	48%	0.476	45%	0.446	S	S	.	.			trans	-74.5	168	169.1	71.3	47.4	0	0	0	110.7	A29 Q30 I31	N27-A29 VanDerWaalsContact C-N 3.26Å; N27-A29 PolarHBondContact O-N 3.31Å; N27-A29 WeakPolarHBondContact OD1-CA 3.27Å; N27-A29 WeakPolarHBondContact OD1-CB 3.29Å; N27-A29 PolarHBondContact OD1-N 2.93Å; N27-Q30 PolarHBondContact ND2-OE1 3.34Å; N27-Q30 PolarHBondContact O-N 3.42Å; N27-Q30 WeakPolarHBondContact OD1-CG 3.22Å; N27-Q30 PolarHBondContact OD1-N 3.31Å; N27-I31 WeakPolarHBondContact O-CG1 3.43Å; N27-I31 PolarHBondContact O-N 2.89Å
28	Q	85.7	Confident	79.7	Confident	174 Å²	174	74.1 Å²	74.1	81%	0.813	41%	0.407	S	S	*	.	H	α-helix	trans	-63.3	-31.4	-175.9	-167.3	173.8	8.1	0	0	113.3	Q32	Q28-Q32 WeakPolarHBondContact O-CB 3.37Å; Q28-Q32 PolarHBondContact O-N 3.18Å; Q28-Q32 VanDerWaalsContact O-N 3.1Å
29	A	85.8	Confident	81.9	Confident	59 Å²	59	75.7 Å²	75.7	49%	0.488	41%	0.408	S	S	.	.	H	α-helix	trans	-68.7	-45.6	176.8	0	0	0	0	0	111	N27 I31 Q32 E33	N27-A29 VanDerWaalsContact C-N 3.26Å; N27-A29 PolarHBondContact O-N 3.31Å; N27-A29 WeakPolarHBondContact OD1-CA 3.27Å; N27-A29 WeakPolarHBondContact OD1-CB 3.29Å; N27-A29 PolarHBondContact OD1-N 2.93Å; A29-I31 PolarHBondContact O-N 3.03Å; A29-Q32 WeakPolarHBondContact O-CB 3.41Å; A29-Q32 PolarHBondContact O-N 3.09Å; A29-Q32 VanDerWaalsContact O-N 3.13Å; A29-E33 PolarHBondContact O-N 3.27Å
30	Q	85.1	Confident	84	Confident	70 Å²	70	78.9 Å²	78.9	33%	0.327	42%	0.42	S	S	.	.	H	α-helix	trans	-60.6	-44.2	175.3	-70.7	172.4	-50.2	0	0	111.7	F26 N27 Q32 E33 F34	F26-Q30 HydrophobicContact CB-CB 4.14Å; F26-Q30 HydrophobicContact CD1-CB 4.35Å; N27-Q30 PolarHBondContact ND2-OE1 3.34Å; N27-Q30 PolarHBondContact O-N 3.42Å; N27-Q30 WeakPolarHBondContact OD1-CG 3.22Å; N27-Q30 PolarHBondContact OD1-N 3.31Å; Q30-Q32 PolarHBondContact O-N 3.09Å; Q30-E33 PolarHBondContact O-N 3.47Å; Q30-F34 HydrophobicContact CB-CD2 4.5Å; Q30-F34 HydrophobicContact CB-CE2 4.34Å; Q30-F34 WeakPolarHBondContact O-CD2 3.5Å; Q30-F34 PolarHBondContact O-N 2.81Å
31	I	89.7	Confident	86.1	Confident	35 Å²	35	75.7 Å²	75.7	18%	0.179	40%	0.395	C	S	.	.	H	α-helix	trans	-59.6	-38.8	176.7	-66.9	162.5	0	0	0	110.7	F23 F26 N27 A29 K35 F83	F23-I31 HydrophobicContact CD1-CD1 3.97Å; F23-I31 HydrophobicContact CD1-CG1 4.41Å; F23-I31 HydrophobicContact CD1-CG2 4.41Å; F23-I31 HydrophobicContact CE1-CG2 4.25Å; F26-I31 HydrophobicContact CB-CD1 4.23Å; F26-I31 HydrophobicContact CB-CG1 3.69Å; N27-I31 WeakPolarHBondContact O-CG1 3.43Å; N27-I31 PolarHBondContact O-N 2.89Å; A29-I31 PolarHBondContact O-N 3.03Å; I31-K35 WeakPolarHBondContact O-CB 3.44Å; I31-K35 PolarHBondContact O-N 2.96Å; I31-F83 HydrophobicContact CG2-CE1 4.42Å; I31-F83 HydrophobicContact CG2-CZ 4.38Å
32	Q	91.1	Very high	87.5	Confident	91 Å²	91	70.2 Å²	70.2	43%	0.425	37%	0.366	S	S	.	.	H	α-helix	trans	-68.2	-43.5	178	-175.8	57.8	36	0	0	111.9	Q28 A29 Q30 K35 E36	Q28-Q32 WeakPolarHBondContact O-CB 3.37Å; Q28-Q32 PolarHBondContact O-N 3.18Å; Q28-Q32 VanDerWaalsContact O-N 3.1Å; A29-Q32 WeakPolarHBondContact O-CB 3.41Å; A29-Q32 PolarHBondContact O-N 3.09Å; A29-Q32 VanDerWaalsContact O-N 3.13Å; Q30-Q32 PolarHBondContact O-N 3.09Å; Q32-K35 WeakPolarHBondContact O-CB 3.33Å; Q32-K35 PolarHBondContact O-N 2.96Å; Q32-K35 VanDerWaalsContact O-N 3.16Å; Q32-E36 PolarHBondContact NE2-OE1 3.41Å; Q32-E36 WeakPolarHBondContact O-CG 3.32Å; Q32-E36 PolarHBondContact O-N 2.78Å
33	E	90.2	Very high	88.5	Confident	131 Å²	131	74.5 Å²	74.5	61%	0.612	39%	0.386	S	S	*	.	H	α-helix	trans	-59.8	-46.1	173.7	-72	175	-170.8	0	0	111.6	A29 Q30 K35 E36 A37	A29-E33 PolarHBondContact O-N 3.27Å; Q30-E33 PolarHBondContact O-N 3.47Å; E33-K35 VanDerWaalsContact C-N 3.26Å; E33-K35 PolarHBondContact O-N 3.22Å; E33-E36 PolarHBondContact O-N 3.28Å; E33-A37 PolarHBondContact O-N 3.45Å
34	F	91.8	Very high	89.5	Confident	33 Å²	33	74.1 Å²	74.1	15%	0.145	39%	0.388	C	S	.	.	H	α-helix	trans	-61.8	-35.7	175.4	-75.3	-56.6	0	0	0	112.3	F26 Q30 A37 F38 F83 F86 L87 F90 L94	F26-F34 AromaticContact CD1-CE2 3.73Å; F26-F34 HydrophobicContact CD1-CE2 3.73Å; F26-F34 AromaticContact CE1-CE2 3.57Å; F26-F34 HydrophobicContact CE1-CE2 3.57Å; F26-F34 HydrophobicContact CE1-CZ 4.08Å; F26-F34 HydrophobicContact CG-CE2 4.25Å; F26-F34 AromaticContact CZ-CE2 3.95Å; F26-F34 HydrophobicContact CZ-CE2 3.95Å; F26-F34 HydrophobicContact CZ-CZ 4.36Å; Q30-F34 HydrophobicContact CB-CD2 4.5Å; Q30-F34 HydrophobicContact CB-CE2 4.34Å; Q30-F34 WeakPolarHBondContact O-CD2 3.5Å; Q30-F34 PolarHBondContact O-N 2.81Å; F34-A37 PolarHBondContact O-N 2.82Å; F34-F38 VanDerWaalsContact O-CB 3.3Å; F34-F38 WeakPolarHBondContact O-CB 3.35Å; F34-F38 PolarHBondContact O-N 3.32Å; F34-F83 HydrophobicContact CB-CE2 4.17Å; F34-F83 HydrophobicContact CB-CZ 4.37Å; F34-F86 HydrophobicContact CB-CE1 4.41Å; F34-F86 HydrophobicContact CD1-CE1 4.07Å; F34-L87 HydrophobicContact CB-CD2 3.57Å; F34-L87 HydrophobicContact CD2-CD2 3.58Å; F34-L87 HydrophobicContact CE2-CD2 4.45Å; F34-L87 HydrophobicContact CG-CD2 3.69Å; F34-F90 HydrophobicContact CD1-CG 4.38Å; F34-F90 HydrophobicContact CE1-CB 3.99Å; F34-F90 AromaticContact CE1-CD1 3.64Å; F34-F90 HydrophobicContact CE1-CD1 3.64Å; F34-F90 HydrophobicContact CE1-CD2 4.32Å; F34-F90 HydrophobicContact CE1-CE1 4.19Å; F34-F90 AromaticContact CE1-CG 3.71Å; F34-F90 HydrophobicContact CE1-CG 3.71Å; F34-F90 HydrophobicContact CZ-CB 4.09Å; F34-F90 HydrophobicContact CZ-CD1 4.2Å; F34-F90 HydrophobicContact CZ-CG 4.26Å; F34-L94 HydrophobicContact CZ-CD1 4.15Å
35	K	93.6	Very high	90.2	Very high	99 Å²	99	80.6 Å²	80.6	43%	0.43	40%	0.395	S	S	.	.	H	α-helix	trans	-67.8	-38.8	177.3	-170.1	177.4	-179	-178.5	0	111.7	I31 Q32 E33 F38 N39 F83	I31-K35 WeakPolarHBondContact O-CB 3.44Å; I31-K35 PolarHBondContact O-N 2.96Å; Q32-K35 WeakPolarHBondContact O-CB 3.33Å; Q32-K35 PolarHBondContact O-N 2.96Å; Q32-K35 VanDerWaalsContact O-N 3.16Å; E33-K35 VanDerWaalsContact C-N 3.26Å; E33-K35 PolarHBondContact O-N 3.22Å; K35-F38 PolarHBondContact O-N 3.4Å; K35-N39 WeakPolarHBondContact O-CB 3.39Å; K35-N39 PolarHBondContact O-N 3.43Å; K35-N39 PolarHBondContact O-ND2 3.42Å; K35-N39 VanDerWaalsContact O-ND2 3.15Å; K35-F83 VanDerWaalsContact CA-CE2 3.47Å; K35-F83 HydrophobicContact CB-CE1 4.46Å; K35-F83 HydrophobicContact CB-CE2 3.98Å; K35-F83 HydrophobicContact CB-CZ 3.71Å; K35-F83 HydrophobicContact CG-CE2 4.46Å; K35-F83 HydrophobicContact CG-CZ 4.26Å
36	E	94.5	Very high	91.2	Very high	114 Å²	114	80.9 Å²	80.9	53%	0.533	40%	0.398	S	S	.	.	H	α-helix	trans	-66	-44	175.1	-73.2	170.2	-162	0	0	111.4	Q32 E33 N39 M40	Q32-E36 PolarHBondContact NE2-OE1 3.41Å; Q32-E36 WeakPolarHBondContact O-CG 3.32Å; Q32-E36 PolarHBondContact O-N 2.78Å; E33-E36 PolarHBondContact O-N 3.28Å; E36-N39 PolarHBondContact O-N 2.95Å; E36-M40 PolarHBondContact O-N 3.03Å; E36-M40 VanDerWaalsContact O-N 3.08Å
37	A	93.2	Very high	91.9	Very high	43 Å²	43	81.5 Å²	81.5	36%	0.355	41%	0.41	S	S	.	.	H	α-helix	trans	-61.1	-45.6	173.4	0	0	0	0	0	111.8	E33 F34 N39 M40 I41	E33-A37 PolarHBondContact O-N 3.45Å; F34-A37 PolarHBondContact O-N 2.82Å; A37-N39 PolarHBondContact O-N 3.04Å; A37-M40 WeakPolarHBondContact O-CB 3.47Å; A37-M40 PolarHBondContact O-N 3.31Å; A37-M40 VanDerWaalsContact O-N 3.08Å; A37-I41 WeakPolarHBondContact O-CG1 3.33Å; A37-I41 PolarHBondContact O-N 2.93Å; A37-I41 VanDerWaalsContact O-N 3.14Å
38	F	95.1	Very high	92.5	Very high	6 Å²	6	81.6 Å²	81.6	3%	0.026	41%	0.406	C	S	.	.	H	α-helix	trans	-58.8	-46.7	177.6	-173.6	-85.5	0	0	0	111.5	F34 K35 M40 I41 D42 G47 I49 F83 F86	F34-F38 VanDerWaalsContact O-CB 3.3Å; F34-F38 WeakPolarHBondContact O-CB 3.35Å; F34-F38 PolarHBondContact O-N 3.32Å; K35-F38 PolarHBondContact O-N 3.4Å; F38-M40 PolarHBondContact O-N 3.16Å; F38-I41 PolarHBondContact O-N 2.8Å; F38-D42 HydrophobicContact CD1-CB 4.18Å; F38-D42 HydrophobicContact CE1-CB 3.84Å; F38-D42 HydrophobicContact CZ-CB 4.47Å; F38-D42 WeakPolarHBondContact O-CB 3.47Å; F38-D42 PolarHBondContact O-N 3.34Å; F38-G47 WeakPolarHBondContact CZ-O 3.47Å; F38-I49 HydrophobicContact CD2-CD1 3.49Å; F38-I49 VanDerWaalsContact CD2-CD1 3.49Å; F38-I49 HydrophobicContact CD2-CG1 4.14Å; F38-I49 HydrophobicContact CE2-CD1 3.39Å; F38-I49 HydrophobicContact CE2-CG1 3.62Å; F38-I49 HydrophobicContact CG-CD1 4.34Å; F38-I49 HydrophobicContact CZ-CD1 4.17Å; F38-I49 HydrophobicContact CZ-CG1 3.9Å; F38-F83 HydrophobicContact CB-CD2 3.69Å; F38-F83 HydrophobicContact CB-CE2 4.03Å; F38-F83 HydrophobicContact CD1-CB 4.41Å; F38-F83 HydrophobicContact CD1-CD2 4.25Å; F38-F83 HydrophobicContact CD2-CB 4.31Å; F38-F83 AromaticContact CD2-CD2 3.85Å; F38-F83 HydrophobicContact CD2-CD2 3.85Å; F38-F83 HydrophobicContact CE1-CB 4.37Å; F38-F83 HydrophobicContact CE2-CB 4.25Å; F38-F83 HydrophobicContact CG-CB 4.39Å; F38-F83 AromaticContact CG-CD2 3.65Å; F38-F83 HydrophobicContact CG-CD2 3.65Å; F38-F83 HydrophobicContact CG-CE2 4.47Å; F38-F83 HydrophobicContact CG-CG 4.48Å; F38-F83 HydrophobicContact CZ-CB 4.3Å; F38-F86 HydrophobicContact CB-CD1 4.4Å; F38-F86 HydrophobicContact CB-CE1 4.4Å; F38-F86 HydrophobicContact CD2-CB 3.79Å; F38-F86 AromaticContact CD2-CD1 3.98Å; F38-F86 HydrophobicContact CD2-CD1 3.98Å; F38-F86 HydrophobicContact CD2-CD2 4.1Å; F38-F86 AromaticContact CD2-CG 3.71Å; F38-F86 HydrophobicContact CD2-CG 3.71Å; F38-F86 HydrophobicContact CE2-CB 3.99Å; F38-F86 HydrophobicContact CE2-CG 4.32Å
39	N	93.7	Very high	92.9	Very high	90 Å²	90	73.9 Å²	73.9	48%	0.481	37%	0.37	S	S	.	.	H	α-helix	trans	-66.8	-20.3	178	-67.7	-24.7	0	0	0	113.6	K35 E36 A37	K35-N39 WeakPolarHBondContact O-CB 3.39Å; K35-N39 PolarHBondContact O-N 3.43Å; K35-N39 PolarHBondContact O-ND2 3.42Å; K35-N39 VanDerWaalsContact O-ND2 3.15Å; E36-N39 PolarHBondContact O-N 2.95Å; A37-N39 PolarHBondContact O-N 3.04Å
40	M	92.9	Very high	93.4	Very high	133 Å²	133	73.5 Å²	73.5	66%	0.655	36%	0.36	S	S	*	.	H	α-helix	trans	-79.1	-27.6	173.1	-173.3	178.6	-63.3	0	0	111.4	E36 A37 F38 Q43	E36-M40 PolarHBondContact O-N 3.03Å; E36-M40 VanDerWaalsContact O-N 3.08Å; A37-M40 WeakPolarHBondContact O-CB 3.47Å; A37-M40 PolarHBondContact O-N 3.31Å; A37-M40 VanDerWaalsContact O-N 3.08Å; F38-M40 PolarHBondContact O-N 3.16Å; M40-Q43 PolarHBondContact O-NE2 2.91Å
41	I	95.4	Very high	93.9	Very high	26 Å²	26	72.2 Å²	72.2	13%	0.133	35%	0.353	C	S	.	.	H	α-helix	trans	-86.1	-48.3	178.7	-59.2	164.4	0	0	0	110.4	A37 F38 Q43 I49 D53 L54 F86	A37-I41 WeakPolarHBondContact O-CG1 3.33Å; A37-I41 PolarHBondContact O-N 2.93Å; A37-I41 VanDerWaalsContact O-N 3.14Å; F38-I41 PolarHBondContact O-N 2.8Å; I41-Q43 VanDerWaalsContact C-N 3.3Å; I41-Q43 PolarHBondContact O-N 3.24Å; I41-I49 HydrophobicContact CB-CD1 3.97Å; I41-I49 HydrophobicContact CB-CG1 4.3Å; I41-I49 HydrophobicContact CD1-CD1 4.24Å; I41-I49 HydrophobicContact CG2-CB 4.42Å; I41-I49 HydrophobicContact CG2-CD1 3.76Å; I41-I49 HydrophobicContact CG2-CG1 3.85Å; I41-I49 HydrophobicContact CG2-CG2 3.7Å; I41-D53 WeakPolarHBondContact O-CB 3.27Å; I41-L54 HydrophobicContact CG2-CD2 3.76Å; I41-F86 HydrophobicContact CD1-CE2 4.09Å; I41-F86 HydrophobicContact CD1-CZ 4.25Å
42	D	96.2	Very high	94.1	Very high	6 Å²	6	76.2 Å²	76.2	3%	0.032	37%	0.371	C	S	.	.			trans	-69.2	81.5	177.7	177.3	8.8	0	0	0	110.5	F38 N44 R45 D46 G47 I49	F38-D42 HydrophobicContact CD1-CB 4.18Å; F38-D42 HydrophobicContact CE1-CB 3.84Å; F38-D42 HydrophobicContact CZ-CB 4.47Å; F38-D42 WeakPolarHBondContact O-CB 3.47Å; F38-D42 PolarHBondContact O-N 3.34Å; D42-N44 PolarHBondContact OD1-OD1 2.88Å; D42-N44 VanDerWaalsContact OD1-OD1 3.13Å; D42-R45 PolarHBondContact O-N 3.4Å; D42-R45 WeakPolarHBondContact OD1-CA 3.49Å; D42-R45 PolarHBondContact OD1-N 2.93Å; D42-D46 PolarHBondContact OD1-N 3.22Å; D42-G47 VanDerWaalsContact OD2-CA 3.24Å; D42-G47 WeakPolarHBondContact OD2-CA 3.38Å; D42-G47 PolarHBondContact OD2-N 2.95Å; D42-I49 HydrophobicContact CB-CG1 4.46Å
43	Q	91.9	Very high	94.3	Very high	96 Å²	96	72 Å²	72	45%	0.449	35%	0.351	S	S	.	.	S	Bend	trans	-71	-38.6	-174.1	-73	-64.5	-50.6	0	0	110.8	M40 I41 R45 D53 D56	M40-Q43 PolarHBondContact O-NE2 2.91Å; I41-Q43 VanDerWaalsContact C-N 3.3Å; I41-Q43 PolarHBondContact O-N 3.24Å; Q43-R45 VanDerWaalsContact C-N 3.29Å; Q43-D53 PolarHBondContact N-OD1 2.9Å; Q43-D56 HydrophobicContact CG-CB 4.15Å
44	N	93.5	Very high	94.6	Very high	82 Å²	82	66.3 Å²	66.3	44%	0.439	33%	0.325	S	S	.	.	S	Bend	trans	-77.7	-15.8	-179.5	73.9	34.6	0	0	0	112.9	D42 D46 D53	D42-N44 PolarHBondContact OD1-OD1 2.88Å; D42-N44 VanDerWaalsContact OD1-OD1 3.13Å; N44-D46 VanDerWaalsContact C-N 3.32Å; N44-D46 PolarHBondContact O-N 3.48Å; N44-D46 WeakPolarHBondContact OD1-CB 3.49Å; N44-D46 PolarHBondContact OD1-N 3.29Å; N44-D46 PolarHBondContact OD1-OD1 3.23Å; N44-D53 PolarHBondContact N-OD1 3.44Å
45	R	93.4	Very high	94.7	Very high	215 Å²	215	68.4 Å²	68.4	81%	0.811	34%	0.335	S	S	*	.			trans	62	32.2	178.4	-55.6	-176.3	177.2	-170.8	-1	114.1	D42 Q43 G47	D42-R45 PolarHBondContact O-N 3.4Å; D42-R45 WeakPolarHBondContact OD1-CA 3.49Å; D42-R45 PolarHBondContact OD1-N 2.93Å; Q43-R45 VanDerWaalsContact C-N 3.29Å; R45-G47 VanDerWaalsContact C-N 3.28Å
46	D	96.1	Very high	94.6	Very high	90 Å²	90	67.8 Å²	67.8	48%	0.481	34%	0.336	S	S	.	.	S	Bend	trans	-83.6	-7.9	176.2	84.3	-1.3	0	0	0	112.9	D42 N44 F48	D42-D46 PolarHBondContact OD1-N 3.22Å; N44-D46 VanDerWaalsContact C-N 3.32Å; N44-D46 PolarHBondContact O-N 3.48Å; N44-D46 WeakPolarHBondContact OD1-CB 3.49Å; N44-D46 PolarHBondContact OD1-N 3.29Å; N44-D46 PolarHBondContact OD1-OD1 3.23Å; D46-F48 WeakPolarHBondContact OD1-CA 3.31Å; D46-F48 WeakPolarHBondContact OD1-CB 3.24Å; D46-F48 PolarHBondContact OD1-N 3.4Å
47	G	95.9	Very high	94.6	Very high	30 Å²	30	63.8 Å²	63.8	31%	0.309	32%	0.318	S	S	.	.	S	Bend	trans	90.2	7.6	178.8	0	0	0	0	0	114.3	F38 D42 R45 N82	F38-G47 WeakPolarHBondContact CZ-O 3.47Å; D42-G47 VanDerWaalsContact OD2-CA 3.24Å; D42-G47 WeakPolarHBondContact OD2-CA 3.38Å; D42-G47 PolarHBondContact OD2-N 2.95Å; R45-G47 VanDerWaalsContact C-N 3.28Å; G47-N82 WeakPolarHBondContact O-CA 3.47Å
48	F	97	Very high	94.6	Very high	91 Å²	91	63.1 Å²	63.1	40%	0.399	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.8	174.9	-60.1	-90.4	0	0	0	109.6	D46 D53 A80 I81 N82	D46-F48 WeakPolarHBondContact OD1-CA 3.31Å; D46-F48 WeakPolarHBondContact OD1-CB 3.24Å; D46-F48 PolarHBondContact OD1-N 3.4Å; F48-D53 VanDerWaalsContact O-OD2 3.11Å; F48-A80 HydrophobicContact CD1-CB 3.94Å; F48-A80 HydrophobicContact CE1-CB 4.18Å; F48-I81 CarbonylContact C-O 3.36Å; F48-I81 WeakPolarHBondContact CA-O 3.39Å; F48-N82 HydrophobicContact CD1-CB 3.8Å; F48-N82 HydrophobicContact CE1-CB 3.74Å
49	I	96.1	Very high	94.4	Very high	11 Å²	11	65.6 Å²	65.6	6%	0.056	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.5	170	-65.6	168.4	0	0	0	107.6	F38 I41 D42 D53 L54 I74 I81 F86	F38-I49 HydrophobicContact CD2-CD1 3.49Å; F38-I49 VanDerWaalsContact CD2-CD1 3.49Å; F38-I49 HydrophobicContact CD2-CG1 4.14Å; F38-I49 HydrophobicContact CE2-CD1 3.39Å; F38-I49 HydrophobicContact CE2-CG1 3.62Å; F38-I49 HydrophobicContact CG-CD1 4.34Å; F38-I49 HydrophobicContact CZ-CD1 4.17Å; F38-I49 HydrophobicContact CZ-CG1 3.9Å; I41-I49 HydrophobicContact CB-CD1 3.97Å; I41-I49 HydrophobicContact CB-CG1 4.3Å; I41-I49 HydrophobicContact CD1-CD1 4.24Å; I41-I49 HydrophobicContact CG2-CB 4.42Å; I41-I49 HydrophobicContact CG2-CD1 3.76Å; I41-I49 HydrophobicContact CG2-CG1 3.85Å; I41-I49 HydrophobicContact CG2-CG2 3.7Å; D42-I49 HydrophobicContact CB-CG1 4.46Å; I49-D53 HydrophobicContact CG2-CB 4.46Å; I49-L54 HydrophobicContact CG2-CD2 3.98Å; I49-L54 HydrophobicContact CG2-CG 3.98Å; I49-I74 HydrophobicContact CG2-CD1 4.4Å; I49-I81 HydrophobicContact CB-CB 4.19Å; I49-I81 HydrophobicContact CB-CG2 4.18Å; I49-I81 HydrophobicContact CD1-CG2 4.32Å; I49-I81 PolarHBondContact N-O 3.28Å; I49-F86 HydrophobicContact CD1-CD2 3.89Å; I49-F86 HydrophobicContact CD1-CE2 4.1Å
50	D	95.3	Very high	94.2	Very high	51 Å²	51	65.5 Å²	65.5	27%	0.273	34%	0.336	S	S	.	.			trans	-113.2	-174.8	172.5	68.7	21.8	0	0	0	112.8	E52 D53 L54	D50-E52 VanDerWaalsContact C-N 3.32Å; D50-E52 WeakPolarHBondContact OD1-CB 3.46Å; D50-E52 PolarHBondContact OD1-N 2.79Å; D50-E52 VanDerWaalsContact OD1-N 3.09Å; D50-D53 PolarHBondContact N-OD2 3.42Å; D50-D53 VanDerWaalsContact N-OD2 3.14Å; D50-D53 PolarHBondContact OD1-N 3.35Å; D50-L54 PolarHBondContact O-N 3.05Å
51	K	95.2	Very high	94.1	Very high	44 Å²	44	64.7 Å²	64.7	19%	0.191	33%	0.333	C	S	.	.	H	α-helix	trans	-67.5	-38.7	-177	-178.7	-179.4	172.4	-177.7	0	110.5	L54 H55 D67 L70 E71 I74	K51-L54 PolarHBondContact O-N 3.09Å; K51-H55 WeakPolarHBondContact O-CB 3.29Å; K51-H55 PolarHBondContact O-N 2.8Å; K51-D67 IonicContact NZ-OD1 2.63Å; K51-D67 IonicContact NZ-OD2 2.74Å; K51-D67 PolarHBondContact NZ-OD2 3.49Å; K51-L70 HydrophobicContact CG-CB 4Å; K51-L70 HydrophobicContact CG-CD1 4.33Å; K51-E71 IonicContact NZ-OE2 3.95Å; K51-I74 HydrophobicContact CB-CG1 4.38Å
52	E	94.4	Very high	93.8	Very high	118 Å²	118	66.8 Å²	66.8	55%	0.551	36%	0.361	S	S	*	.	H	α-helix	trans	-64.2	-43.3	178.8	-69.2	72.1	-169	0	0	111.1	D50 L54 H55 D56	D50-E52 VanDerWaalsContact C-N 3.32Å; D50-E52 WeakPolarHBondContact OD1-CB 3.46Å; D50-E52 PolarHBondContact OD1-N 2.79Å; D50-E52 VanDerWaalsContact OD1-N 3.09Å; E52-L54 PolarHBondContact O-N 3.26Å; E52-H55 WeakPolarHBondContact O-CB 3.28Å; E52-H55 PolarHBondContact O-N 3.17Å; E52-D56 WeakPolarHBondContact O-CB 3.33Å; E52-D56 PolarHBondContact O-N 3.11Å
53	D	96	Very high	93.5	Very high	3 Å²	3	73 Å²	73	2%	0.016	39%	0.388	C	S	.	.	H	α-helix	trans	-59	-45	173.8	-73.4	-46.1	0	0	0	112.3	I41 Q43 N44 F48 I49 D50 D56 M57	I41-D53 WeakPolarHBondContact O-CB 3.27Å; Q43-D53 PolarHBondContact N-OD1 2.9Å; N44-D53 PolarHBondContact N-OD1 3.44Å; F48-D53 VanDerWaalsContact O-OD2 3.11Å; I49-D53 HydrophobicContact CG2-CB 4.46Å; D50-D53 PolarHBondContact N-OD2 3.42Å; D50-D53 VanDerWaalsContact N-OD2 3.14Å; D50-D53 PolarHBondContact OD1-N 3.35Å; D53-D56 PolarHBondContact O-N 2.96Å; D53-M57 WeakPolarHBondContact O-CB 3.33Å; D53-M57 PolarHBondContact O-N 3.44Å
54	L	94.7	Very high	93.3	Very high	11 Å²	11	76.1 Å²	76.1	6%	0.058	41%	0.408	C	S	.	.	H	α-helix	trans	-65.5	-43.9	176.5	-68.1	179.8	0	0	0	111.4	I41 I49 D50 K51 E52 D56 M57 F58 L70 M73 I74	I41-L54 HydrophobicContact CG2-CD2 3.76Å; I49-L54 HydrophobicContact CG2-CD2 3.98Å; I49-L54 HydrophobicContact CG2-CG 3.98Å; D50-L54 PolarHBondContact O-N 3.05Å; K51-L54 PolarHBondContact O-N 3.09Å; E52-L54 PolarHBondContact O-N 3.26Å; L54-D56 VanDerWaalsContact C-N 3.34Å; L54-D56 PolarHBondContact O-N 3.41Å; L54-M57 PolarHBondContact O-N 2.82Å; L54-F58 WeakPolarHBondContact O-CD2 3.24Å; L54-F58 PolarHBondContact O-N 3.3Å; L54-L70 HydrophobicContact CB-CD2 3.78Å; L54-L70 HydrophobicContact CD1-CD2 4.5Å; L54-M73 HydrophobicContact CD1-CB 3.97Å; L54-M73 HydrophobicContact CD1-CE 4.23Å; L54-M73 HydrophobicContact CD1-SD 4.35Å; L54-M73 HydrophobicContact CD2-CE 4.3Å; L54-I74 HydrophobicContact CD1-CD1 3.51Å; L54-I74 HydrophobicContact CD1-CG1 3.89Å; L54-I74 HydrophobicContact CG-CD1 4.25Å
55	H	94.1	Very high	93.2	Very high	78 Å²	78	73.4 Å²	73.4	36%	0.361	39%	0.394	S	S	.	.	H	α-helix	trans	-56.9	-49.6	176.8	177.2	-82.7	0	0	0	110.9	K51 E52 M57 F58 A59 L70	K51-H55 WeakPolarHBondContact O-CB 3.29Å; K51-H55 PolarHBondContact O-N 2.8Å; E52-H55 WeakPolarHBondContact O-CB 3.28Å; E52-H55 PolarHBondContact O-N 3.17Å; H55-M57 VanDerWaalsContact C-N 3.33Å; H55-M57 PolarHBondContact O-N 2.98Å; H55-F58 PolarHBondContact O-N 3.38Å; H55-A59 VanDerWaalsContact O-CB 3.3Å; H55-A59 WeakPolarHBondContact O-CB 3.27Å; H55-A59 PolarHBondContact O-N 3.28Å; H55-L70 HydrophobicContact CB-CD1 3.67Å
56	D	93	Very high	93.2	Very high	85 Å²	85	67.1 Å²	67.1	46%	0.455	38%	0.38	S	S	.	.	H	α-helix	trans	-64.8	-37.5	179.4	-74.2	-7.2	0	0	0	111.9	Q43 E52 D53 L54 S60	Q43-D56 HydrophobicContact CG-CB 4.15Å; E52-D56 WeakPolarHBondContact O-CB 3.33Å; E52-D56 PolarHBondContact O-N 3.11Å; D53-D56 PolarHBondContact O-N 2.96Å; L54-D56 VanDerWaalsContact C-N 3.34Å; L54-D56 PolarHBondContact O-N 3.41Å; D56-S60 WeakPolarHBondContact O-CB 3.3Å; D56-S60 PolarHBondContact O-N 2.77Å
57	M	93.6	Very high	93.1	Very high	30 Å²	30	66.9 Å²	66.9	15%	0.148	38%	0.378	C	S	.	.	H	α-helix	trans	-61.3	-51.7	173.5	-177.3	-85.5	-88.6	0	0	111.5	D53 L54 H55 A59 S60 L61	D53-M57 WeakPolarHBondContact O-CB 3.33Å; D53-M57 PolarHBondContact O-N 3.44Å; L54-M57 PolarHBondContact O-N 2.82Å; H55-M57 VanDerWaalsContact C-N 3.33Å; H55-M57 PolarHBondContact O-N 2.98Å; M57-A59 VanDerWaalsContact C-N 3.34Å; M57-A59 PolarHBondContact O-N 3.36Å; M57-S60 WeakPolarHBondContact O-CB 3.47Å; M57-S60 PolarHBondContact O-N 2.73Å; M57-S60 VanDerWaalsContact O-N 3.13Å; M57-S60 PolarHBondContact O-OG 3.33Å; M57-L61 PolarHBondContact O-N 3.49Å; M57-L61 VanDerWaalsContact O-N 3.14Å; M57-L61 HydrophobicContact SD-CD1 3.51Å; M57-L61 VanDerWaalsContact SD-CD1 3.51Å; M57-L61 HydrophobicContact SD-CG 4.24Å
58	F	92.9	Very high	93	Very high	29 Å²	29	72.5 Å²	72.5	13%	0.127	40%	0.396	C	S	.	.	H	α-helix	trans	-64.9	-38.7	179.4	-80.7	-72.3	0	0	0	112.2	L54 H55 S60 L61 G62 K63 V65 F69 L70 M73	L54-F58 WeakPolarHBondContact O-CD2 3.24Å; L54-F58 PolarHBondContact O-N 3.3Å; H55-F58 PolarHBondContact O-N 3.38Å; F58-S60 VanDerWaalsContact C-N 3.3Å; F58-S60 PolarHBondContact O-N 3.36Å; F58-L61 CarbonylContact O-C 3.6Å; F58-L61 PolarHBondContact O-N 3.01Å; F58-L61 VanDerWaalsContact O-N 3.1Å; F58-G62 PolarHBondContact O-N 3.23Å; F58-K63 CarbonylContact C-O 3.58Å; F58-K63 VanDerWaalsContact C-O 3.29Å; F58-K63 HydrophobicContact CB-CB 4.49Å; F58-K63 HydrophobicContact CD1-CB 4.08Å; F58-K63 HydrophobicContact CD1-CD 4.37Å; F58-K63 PolarHBondContact O-N 3.06Å; F58-K63 VanDerWaalsContact O-O 3.1Å; F58-V65 HydrophobicContact CB-CG1 4.23Å; F58-V65 HydrophobicContact CB-CG2 3.6Å; F58-V65 HydrophobicContact CD1-CG1 3.82Å; F58-V65 HydrophobicContact CD2-CG1 4.32Å; F58-V65 HydrophobicContact CD2-CG2 3.8Å; F58-V65 HydrophobicContact CE1-CG1 4.22Å; F58-V65 HydrophobicContact CG-CB 4.47Å; F58-V65 HydrophobicContact CG-CG1 3.88Å; F58-V65 HydrophobicContact CG-CG2 3.74Å; F58-F69 HydrophobicContact CE2-CE1 4.5Å; F58-F69 HydrophobicContact CZ-CE1 4.24Å; F58-L70 HydrophobicContact CD2-CD2 3.74Å; F58-L70 HydrophobicContact CE2-CD2 3.91Å; F58-M73 HydrophobicContact CE2-CE 4.16Å; F58-M73 HydrophobicContact CE2-SD 3.87Å; F58-M73 HydrophobicContact CZ-CE 4.32Å; F58-M73 HydrophobicContact CZ-SD 4.17Å
59	A	91.4	Very high	92.8	Very high	58 Å²	58	73.3 Å²	73.3	48%	0.479	40%	0.4	S	S	.	.	H	α-helix	trans	-59.1	-41.1	172.6	0	0	0	0	0	111.7	H55 M57 L61 G62	H55-A59 VanDerWaalsContact O-CB 3.3Å; H55-A59 WeakPolarHBondContact O-CB 3.27Å; H55-A59 PolarHBondContact O-N 3.28Å; M57-A59 VanDerWaalsContact C-N 3.34Å; M57-A59 PolarHBondContact O-N 3.36Å; A59-L61 VanDerWaalsContact C-N 3.26Å; A59-L61 PolarHBondContact O-N 3.45Å; A59-G62 PolarHBondContact O-N 3.11Å
60	S	89.6	Confident	92.8	Very high	89 Å²	89	72.8 Å²	72.8	62%	0.622	40%	0.397	S	S	*	.	H	α-helix	trans	-65.3	-28.3	176.3	82.1	0	0	0	0	113.4	D56 M57 F58 G62	D56-S60 WeakPolarHBondContact O-CB 3.3Å; D56-S60 PolarHBondContact O-N 2.77Å; M57-S60 WeakPolarHBondContact O-CB 3.47Å; M57-S60 PolarHBondContact O-N 2.73Å; M57-S60 VanDerWaalsContact O-N 3.13Å; M57-S60 PolarHBondContact O-OG 3.33Å; F58-S60 VanDerWaalsContact C-N 3.3Å; F58-S60 PolarHBondContact O-N 3.36Å; S60-G62 VanDerWaalsContact C-N 3.28Å
61	L	90.4	Very high	92.7	Very high	116 Å²	116	75.1 Å²	75.1	61%	0.607	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.5	173.3	-64.1	178.6	0	0	0	113	M57 F58 A59 K63	M57-L61 PolarHBondContact O-N 3.49Å; M57-L61 VanDerWaalsContact O-N 3.14Å; M57-L61 HydrophobicContact SD-CD1 3.51Å; M57-L61 VanDerWaalsContact SD-CD1 3.51Å; M57-L61 HydrophobicContact SD-CG 4.24Å; F58-L61 CarbonylContact O-C 3.6Å; F58-L61 PolarHBondContact O-N 3.01Å; F58-L61 VanDerWaalsContact O-N 3.1Å; A59-L61 VanDerWaalsContact C-N 3.26Å; A59-L61 PolarHBondContact O-N 3.45Å; L61-K63 PolarHBondContact O-N 2.87Å
62	G	90.2	Very high	92.6	Very high	70 Å²	70	74.8 Å²	74.8	72%	0.722	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	19.8	-176.4	0	0	0	0	0	113.8	F58 A59 S60	F58-G62 PolarHBondContact O-N 3.23Å; A59-G62 PolarHBondContact O-N 3.11Å; S60-G62 VanDerWaalsContact C-N 3.28Å
63	K	88.6	Confident	92.5	Very high	135 Å²	135	72 Å²	72	59%	0.587	40%	0.403	S	S	*	.			trans	-100.1	123.8	174.9	-69.7	-165.9	174.7	-171.6	0	109.5	F58 L61	F58-K63 CarbonylContact C-O 3.58Å; F58-K63 VanDerWaalsContact C-O 3.29Å; F58-K63 HydrophobicContact CB-CB 4.49Å; F58-K63 HydrophobicContact CD1-CB 4.08Å; F58-K63 HydrophobicContact CD1-CD 4.37Å; F58-K63 PolarHBondContact O-N 3.06Å; F58-K63 VanDerWaalsContact O-O 3.1Å; L61-K63 PolarHBondContact O-N 2.87Å
64	D	87.7	Confident	92.3	Very high	163 Å²	163	73.7 Å²	73.7	87%	0.872	41%	0.412	S	S	*	.			trans	-88.7	120.1	170.6	-163.1	4.6	0	0	0	108.5
65	V	91.7	Very high	92.2	Very high	25 Å²	25	78.6 Å²	78.6	15%	0.152	44%	0.439	C	S	.	.			trans	-125.5	141.5	-174.7	-70.9	0	0	0	0	109	F58 F69 L70	F58-V65 HydrophobicContact CB-CG1 4.23Å; F58-V65 HydrophobicContact CB-CG2 3.6Å; F58-V65 HydrophobicContact CD1-CG1 3.82Å; F58-V65 HydrophobicContact CD2-CG1 4.32Å; F58-V65 HydrophobicContact CD2-CG2 3.8Å; F58-V65 HydrophobicContact CE1-CG1 4.22Å; F58-V65 HydrophobicContact CG-CB 4.47Å; F58-V65 HydrophobicContact CG-CG1 3.88Å; F58-V65 HydrophobicContact CG-CG2 3.74Å; V65-F69 HydrophobicContact CB-CD1 4.17Å; V65-F69 HydrophobicContact CG1-CD1 4.29Å; V65-F69 HydrophobicContact CG1-CE1 4.48Å; V65-L70 HydrophobicContact CB-CD2 4.47Å; V65-L70 HydrophobicContact CG2-CD1 4.03Å; V65-L70 HydrophobicContact CG2-CD2 3.66Å; V65-L70 HydrophobicContact CG2-CG 3.87Å
66	T	93.5	Very high	91.9	Very high	82 Å²	82	80.6 Å²	80.6	50%	0.503	45%	0.448	S	S	.	.			trans	-75.1	150.6	-176.8	67.6	0	0	0	0	111.6	E68 F69 L70	T66-E68 PolarHBondContact O-N 3Å; T66-F69 WeakPolarHBondContact O-CB 3.45Å; T66-F69 PolarHBondContact O-N 3.28Å; T66-F69 PolarHBondContact OG1-N 3.21Å; T66-L70 PolarHBondContact O-N 3.03Å; T66-L70 VanDerWaalsContact O-N 3.1Å
67	D	93.6	Very high	91.7	Very high	85 Å²	85	77.1 Å²	77.1	46%	0.455	43%	0.431	S	S	.	.	H	α-helix	trans	-53.4	-40.2	173.5	-92.1	30.7	0	0	0	112.4	K51 F69 L70 E71	K51-D67 IonicContact NZ-OD1 2.63Å; K51-D67 IonicContact NZ-OD2 2.74Å; K51-D67 PolarHBondContact NZ-OD2 3.49Å; D67-F69 VanDerWaalsContact C-N 3.32Å; D67-F69 PolarHBondContact O-N 3.4Å; D67-L70 PolarHBondContact O-N 3.25Å; D67-E71 VanDerWaalsContact O-CB 3.27Å; D67-E71 WeakPolarHBondContact O-CB 3.38Å; D67-E71 PolarHBondContact O-N 3.15Å
68	E	95	Very high	91.3	Very high	148 Å²	148	81.2 Å²	81.2	69%	0.692	46%	0.46	S	S	*	.	H	α-helix	trans	-64.7	-35.6	177.7	-65.3	79.7	-170.7	0	0	112.6	T66 G72	T66-E68 PolarHBondContact O-N 3Å; E68-G72 PolarHBondContact O-N 3.12Å
69	F	92.9	Very high	91.2	Very high	108 Å²	108	81.7 Å²	81.7	47%	0.474	47%	0.473	S	S	.	.	H	α-helix	trans	-68.5	-46.8	177.7	176.9	-101.1	0	0	0	110.8	F58 V65 T66 D67 E71 G72 M73	F58-F69 HydrophobicContact CE2-CE1 4.5Å; F58-F69 HydrophobicContact CZ-CE1 4.24Å; V65-F69 HydrophobicContact CB-CD1 4.17Å; V65-F69 HydrophobicContact CG1-CD1 4.29Å; V65-F69 HydrophobicContact CG1-CE1 4.48Å; T66-F69 WeakPolarHBondContact O-CB 3.45Å; T66-F69 PolarHBondContact O-N 3.28Å; T66-F69 PolarHBondContact OG1-N 3.21Å; D67-F69 VanDerWaalsContact C-N 3.32Å; D67-F69 PolarHBondContact O-N 3.4Å; F69-E71 VanDerWaalsContact C-N 3.32Å; F69-E71 PolarHBondContact O-N 2.81Å; F69-G72 WeakPolarHBondContact O-CA 3.49Å; F69-G72 PolarHBondContact O-N 2.99Å; F69-G72 VanDerWaalsContact O-N 3.17Å; F69-M73 HydrophobicContact CD1-SD 4.03Å; F69-M73 HydrophobicContact CE1-CG 4.22Å; F69-M73 HydrophobicContact CE1-SD 3.43Å; F69-M73 WeakPolarHBondContact CE1-SD 3.49Å; F69-M73 HydrophobicContact CZ-CG 4.35Å; F69-M73 HydrophobicContact CZ-SD 3.95Å; F69-M73 PolarHBondContact O-N 3.21Å
70	L	94.5	Very high	91.2	Very high	0 Å²	0	82.3 Å²	82.3	0%	0	48%	0.478	C	S	.	.	H	α-helix	trans	-60.8	-42.4	176.4	-65.6	-178.4	0	0	0	112	K51 L54 H55 F58 V65 T66 D67 G72 M73 I74	K51-L70 HydrophobicContact CG-CB 4Å; K51-L70 HydrophobicContact CG-CD1 4.33Å; L54-L70 HydrophobicContact CB-CD2 3.78Å; L54-L70 HydrophobicContact CD1-CD2 4.5Å; H55-L70 HydrophobicContact CB-CD1 3.67Å; F58-L70 HydrophobicContact CD2-CD2 3.74Å; F58-L70 HydrophobicContact CE2-CD2 3.91Å; V65-L70 HydrophobicContact CB-CD2 4.47Å; V65-L70 HydrophobicContact CG2-CD1 4.03Å; V65-L70 HydrophobicContact CG2-CD2 3.66Å; V65-L70 HydrophobicContact CG2-CG 3.87Å; T66-L70 PolarHBondContact O-N 3.03Å; T66-L70 VanDerWaalsContact O-N 3.1Å; D67-L70 PolarHBondContact O-N 3.25Å; L70-G72 VanDerWaalsContact C-N 3.3Å; L70-G72 PolarHBondContact O-N 3.37Å; L70-M73 HydrophobicContact CD2-SD 4.42Å; L70-M73 WeakPolarHBondContact O-CB 3.3Å; L70-M73 PolarHBondContact O-N 2.93Å; L70-M73 VanDerWaalsContact O-N 3.15Å; L70-I74 WeakPolarHBondContact O-CG1 3.46Å; L70-I74 PolarHBondContact O-N 2.97Å
71	E	93.5	Very high	91.5	Very high	100 Å²	100	78.6 Å²	78.6	47%	0.467	45%	0.451	S	S	.	.	H	α-helix	trans	-66.9	-34.6	177.6	-165.4	146.2	-175.9	0	0	111.4	K51 D67 F69 I74 N75	K51-E71 IonicContact NZ-OE2 3.95Å; D67-E71 VanDerWaalsContact O-CB 3.27Å; D67-E71 WeakPolarHBondContact O-CB 3.38Å; D67-E71 PolarHBondContact O-N 3.15Å; F69-E71 VanDerWaalsContact C-N 3.32Å; F69-E71 PolarHBondContact O-N 2.81Å; E71-I74 PolarHBondContact O-N 3.27Å; E71-N75 WeakPolarHBondContact CG-ND2 3.38Å; E71-N75 VanDerWaalsContact O-CB 3.23Å; E71-N75 WeakPolarHBondContact O-CB 3.49Å; E71-N75 PolarHBondContact O-N 2.89Å; E71-N75 PolarHBondContact O-ND2 2.97Å
72	G	93.2	Very high	91.7	Very high	38 Å²	38	75.8 Å²	75.8	39%	0.392	44%	0.437	S	S	.	.	H	α-helix	trans	-56.8	-47.7	167.8	0	0	0	0	0	112.5	E68 F69 L70 N75 E76	E68-G72 PolarHBondContact O-N 3.12Å; F69-G72 WeakPolarHBondContact O-CA 3.49Å; F69-G72 PolarHBondContact O-N 2.99Å; F69-G72 VanDerWaalsContact O-N 3.17Å; L70-G72 VanDerWaalsContact C-N 3.3Å; L70-G72 PolarHBondContact O-N 3.37Å; G72-N75 PolarHBondContact O-N 2.97Å; G72-E76 PolarHBondContact O-N 3.22Å
73	M	91.4	Very high	91.9	Very high	58 Å²	58	74.4 Å²	74.4	29%	0.286	41%	0.411	S	S	.	.	H	α-helix	trans	-62.2	-44.5	178.6	-66.1	178.4	67.3	0	0	112.5	L54 F58 F69 L70 N75 E76	L54-M73 HydrophobicContact CD1-CB 3.97Å; L54-M73 HydrophobicContact CD1-CE 4.23Å; L54-M73 HydrophobicContact CD1-SD 4.35Å; L54-M73 HydrophobicContact CD2-CE 4.3Å; F58-M73 HydrophobicContact CE2-CE 4.16Å; F58-M73 HydrophobicContact CE2-SD 3.87Å; F58-M73 HydrophobicContact CZ-CE 4.32Å; F58-M73 HydrophobicContact CZ-SD 4.17Å; F69-M73 HydrophobicContact CD1-SD 4.03Å; F69-M73 HydrophobicContact CE1-CG 4.22Å; F69-M73 HydrophobicContact CE1-SD 3.43Å; F69-M73 WeakPolarHBondContact CE1-SD 3.49Å; F69-M73 HydrophobicContact CZ-CG 4.35Å; F69-M73 HydrophobicContact CZ-SD 3.95Å; F69-M73 PolarHBondContact O-N 3.21Å; L70-M73 HydrophobicContact CD2-SD 4.42Å; L70-M73 WeakPolarHBondContact O-CB 3.3Å; L70-M73 PolarHBondContact O-N 2.93Å; L70-M73 VanDerWaalsContact O-N 3.15Å; M73-N75 VanDerWaalsContact C-N 3.32Å; M73-N75 PolarHBondContact O-N 3.38Å; M73-E76 PolarHBondContact O-N 3.1Å
74	I	93.2	Very high	92.1	Very high	40 Å²	40	69.9 Å²	69.9	21%	0.205	40%	0.395	C	S	.	.	H	α-helix	trans	-65.5	-38.1	178.3	-64.7	-61.2	0	0	0	111.1	I49 K51 L54 L70 E71 E76 A77 I81	I49-I74 HydrophobicContact CG2-CD1 4.4Å; K51-I74 HydrophobicContact CB-CG1 4.38Å; L54-I74 HydrophobicContact CD1-CD1 3.51Å; L54-I74 HydrophobicContact CD1-CG1 3.89Å; L54-I74 HydrophobicContact CG-CD1 4.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.46Å; L70-I74 PolarHBondContact O-N 2.97Å; E71-I74 PolarHBondContact O-N 3.27Å; I74-E76 VanDerWaalsContact C-N 3.28Å; I74-E76 PolarHBondContact O-N 2.95Å; I74-A77 PolarHBondContact O-N 3.13Å; I74-I81 HydrophobicContact CD1-CD1 3.94Å
75	N	92.1	Very high	92.3	Very high	113 Å²	113	64 Å²	64	60%	0.604	36%	0.362	S	S	*	.	H	α-helix	trans	-75.2	-10.5	-178.9	-72.8	-41.3	0	0	0	114.3	E71 G72 M73 A77	E71-N75 WeakPolarHBondContact CG-ND2 3.38Å; E71-N75 VanDerWaalsContact O-CB 3.23Å; E71-N75 WeakPolarHBondContact O-CB 3.49Å; E71-N75 PolarHBondContact O-N 2.89Å; E71-N75 PolarHBondContact O-ND2 2.97Å; G72-N75 PolarHBondContact O-N 2.97Å; M73-N75 VanDerWaalsContact C-N 3.32Å; M73-N75 PolarHBondContact O-N 3.38Å; N75-A77 PolarHBondContact O-N 3.02Å
76	E	88.4	Confident	92.3	Very high	121 Å²	121	63.5 Å²	63.5	57%	0.565	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.9	167.8	-75.3	-169	-160.8	0	0	111.4	G72 M73 I74 K93	G72-E76 PolarHBondContact O-N 3.22Å; M73-E76 PolarHBondContact O-N 3.1Å; I74-E76 VanDerWaalsContact C-N 3.28Å; I74-E76 PolarHBondContact O-N 2.95Å; E76-K93 IonicContact OE2-NZ 2.69Å; E76-K93 PolarHBondContact OE2-NZ 3.46Å
77	A	88	Confident	92.1	Very high	12 Å²	12	59.6 Å²	59.6	10%	0.099	33%	0.334	C	S	.	.	S	Bend	trans	-78.7	137.2	179.8	0	0	0	0	0	111.5	I74 N75 G79 I81 M89	I74-A77 PolarHBondContact O-N 3.13Å; N75-A77 PolarHBondContact O-N 3.02Å; A77-G79 VanDerWaalsContact CB-O 3.28Å; A77-G79 WeakPolarHBondContact CB-O 3.5Å; A77-G79 PolarHBondContact O-N 2.99Å; A77-I81 HydrophobicContact CB-CD1 3.72Å; A77-I81 HydrophobicContact CB-CG1 3.39Å; A77-M89 HydrophobicContact CB-CE 4.21Å; A77-M89 HydrophobicContact CB-SD 3.61Å
78	P	85.9	Confident	91.9	Very high	115 Å²	115	56.3 Å²	56.3	75%	0.747	32%	0.317	S	S	*	.	S	Bend	trans	-69.7	0.6	176.8	29.3	-35.4	0	0	0	113.5	M85	P78-M85 HydrophobicContact CG-CE 3.92Å; P78-M85 HydrophobicContact CG-SD 3.73Å
79	G	89.7	Confident	91.4	Very high	39 Å²	39	51 Å²	51	40%	0.402	29%	0.293	S	S	.	.	S	Bend	trans	177.3	-167.2	179.1	0	0	0	0	0	111.1	A77 I81	A77-G79 VanDerWaalsContact CB-O 3.28Å; A77-G79 WeakPolarHBondContact CB-O 3.5Å; A77-G79 PolarHBondContact O-N 2.99Å; G79-I81 PolarHBondContact O-N 3.27Å
80	A	93.1	Very high	91	Very high	71 Å²	71	49.8 Å²	49.8	59%	0.587	29%	0.288	S	S	*	.			trans	-53.7	132	179.7	0	0	0	0	0	112.8	F48 N82	F48-A80 HydrophobicContact CD1-CB 3.94Å; F48-A80 HydrophobicContact CE1-CB 4.18Å; A80-N82 PolarHBondContact O-N 2.82Å; A80-N82 VanDerWaalsContact O-N 3.12Å
81	I	94.9	Very high	90.4	Very high	11 Å²	11	49.9 Å²	49.9	6%	0.056	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	78.8	-172.9	-52.4	173	0	0	0	109.6	F48 I49 I74 A77 G79 F86 M89	F48-I81 CarbonylContact C-O 3.36Å; F48-I81 WeakPolarHBondContact CA-O 3.39Å; I49-I81 HydrophobicContact CB-CB 4.19Å; I49-I81 HydrophobicContact CB-CG2 4.18Å; I49-I81 HydrophobicContact CD1-CG2 4.32Å; I49-I81 PolarHBondContact N-O 3.28Å; I74-I81 HydrophobicContact CD1-CD1 3.94Å; A77-I81 HydrophobicContact CB-CD1 3.72Å; A77-I81 HydrophobicContact CB-CG1 3.39Å; G79-I81 PolarHBondContact O-N 3.27Å; I81-F86 HydrophobicContact CG2-CB 4.16Å; I81-F86 HydrophobicContact CG2-CD2 4.36Å; I81-M89 HydrophobicContact CD1-CE 4.07Å; I81-M89 HydrophobicContact CG1-CE 4.35Å; I81-M89 HydrophobicContact CG2-CE 4.1Å
82	N	95.2	Very high	89.7	Confident	58 Å²	58	51.3 Å²	51.3	31%	0.31	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	172.3	163.5	64.2	32.3	0	0	0	111.1	G47 F48 A80 T84 M85 F86	G47-N82 WeakPolarHBondContact O-CA 3.47Å; F48-N82 HydrophobicContact CD1-CB 3.8Å; F48-N82 HydrophobicContact CE1-CB 3.74Å; A80-N82 PolarHBondContact O-N 2.82Å; A80-N82 VanDerWaalsContact O-N 3.12Å; N82-T84 PolarHBondContact O-N 2.81Å; N82-T84 VanDerWaalsContact O-N 3.08Å; N82-T84 WeakPolarHBondContact OD1-CB 3.42Å; N82-T84 PolarHBondContact OD1-N 3.34Å; N82-T84 VanDerWaalsContact OD1-N 3.11Å; N82-M85 WeakPolarHBondContact O-CB 3.22Å; N82-M85 PolarHBondContact O-N 2.98Å; N82-M85 PolarHBondContact OD1-N 2.99Å; N82-F86 PolarHBondContact O-N 2.73Å
83	F	94.1	Very high	88.7	Confident	41 Å²	41	56.4 Å²	56.4	18%	0.18	31%	0.306	C	S	.	.	H	α-helix	trans	-54.4	-34.3	-179.6	-175.1	-119.1	0	0	0	114.2	F23 I31 F34 K35 F38 F86 L87	F23-F83 HydrophobicContact CE1-CE1 4.22Å; F23-F83 HydrophobicContact CZ-CD1 4.48Å; F23-F83 HydrophobicContact CZ-CE1 4.4Å; I31-F83 HydrophobicContact CG2-CE1 4.42Å; I31-F83 HydrophobicContact CG2-CZ 4.38Å; F34-F83 HydrophobicContact CB-CE2 4.17Å; F34-F83 HydrophobicContact CB-CZ 4.37Å; K35-F83 VanDerWaalsContact CA-CE2 3.47Å; K35-F83 HydrophobicContact CB-CE1 4.46Å; K35-F83 HydrophobicContact CB-CE2 3.98Å; K35-F83 HydrophobicContact CB-CZ 3.71Å; K35-F83 HydrophobicContact CG-CE2 4.46Å; K35-F83 HydrophobicContact CG-CZ 4.26Å; F38-F83 HydrophobicContact CB-CD2 3.69Å; F38-F83 HydrophobicContact CB-CE2 4.03Å; F38-F83 HydrophobicContact CD1-CB 4.41Å; F38-F83 HydrophobicContact CD1-CD2 4.25Å; F38-F83 HydrophobicContact CD2-CB 4.31Å; F38-F83 AromaticContact CD2-CD2 3.85Å; F38-F83 HydrophobicContact CD2-CD2 3.85Å; F38-F83 HydrophobicContact CE1-CB 4.37Å; F38-F83 HydrophobicContact CE2-CB 4.25Å; F38-F83 HydrophobicContact CG-CB 4.39Å; F38-F83 AromaticContact CG-CD2 3.65Å; F38-F83 HydrophobicContact CG-CD2 3.65Å; F38-F83 HydrophobicContact CG-CE2 4.47Å; F38-F83 HydrophobicContact CG-CG 4.48Å; F38-F83 HydrophobicContact CZ-CB 4.3Å; F83-F86 HydrophobicContact CD2-CD1 4.45Å; F83-F86 HydrophobicContact CE2-CD1 4.49Å; F83-L87 HydrophobicContact CD1-CD1 4.24Å; F83-L87 HydrophobicContact CE1-CD1 3.68Å; F83-L87 HydrophobicContact CE1-CG 4.2Å; F83-L87 HydrophobicContact CE2-CD1 4.49Å; F83-L87 HydrophobicContact CE2-CD2 4.27Å; F83-L87 HydrophobicContact CE2-CG 4.15Å; F83-L87 HydrophobicContact CZ-CD1 3.82Å; F83-L87 HydrophobicContact CZ-CD2 4.07Å; F83-L87 HydrophobicContact CZ-CG 3.94Å; F83-L87 WeakPolarHBondContact O-CG 3.31Å; F83-L87 PolarHBondContact O-N 3.44Å
84	T	92.4	Very high	87.6	Confident	39 Å²	39	57.6 Å²	57.6	24%	0.239	31%	0.313	C	S	.	.	H	α-helix	trans	-71.3	-39.4	177.9	-55.2	0	0	0	0	111.8	T19 V22 F23 N82 T88	T19-T84 HydrophobicContact CG2-CG2 3.76Å; V22-T84 HydrophobicContact CG1-CG2 4.23Å; F23-T84 HydrophobicContact CE2-CG2 4.19Å; N82-T84 PolarHBondContact O-N 2.81Å; N82-T84 VanDerWaalsContact O-N 3.08Å; N82-T84 WeakPolarHBondContact OD1-CB 3.42Å; N82-T84 PolarHBondContact OD1-N 3.34Å; N82-T84 VanDerWaalsContact OD1-N 3.11Å; T84-T88 PolarHBondContact O-N 3.25Å; T84-T88 PolarHBondContact O-OG1 3.41Å
85	M	91.6	Very high	86.4	Confident	39 Å²	39	59.4 Å²	59.4	19%	0.192	33%	0.327	C	S	.	.	H	α-helix	trans	-66.1	-42.7	174	-173.4	58.4	69.8	0	0	110.8	P78 N82 L87 T88 M89	P78-M85 HydrophobicContact CG-CE 3.92Å; P78-M85 HydrophobicContact CG-SD 3.73Å; N82-M85 WeakPolarHBondContact O-CB 3.22Å; N82-M85 PolarHBondContact O-N 2.98Å; N82-M85 PolarHBondContact OD1-N 2.99Å; M85-L87 PolarHBondContact O-N 3.31Å; M85-T88 CarbonylContact O-C 3.53Å; M85-T88 WeakPolarHBondContact O-CA 3.36Å; M85-T88 WeakPolarHBondContact O-CB 3.41Å; M85-T88 PolarHBondContact O-N 3.4Å; M85-M89 WeakPolarHBondContact O-CG 3.45Å; M85-M89 PolarHBondContact O-N 3.4Å
86	F	91.5	Very high	85.3	Confident	15 Å²	15	57.9 Å²	57.9	7%	0.066	34%	0.337	C	S	.	.	H	α-helix	trans	-54.7	-51.3	174.6	-175.2	-101	0	0	0	111.5	F34 F38 I41 I49 I81 N82 F83 T88 M89 F90	F34-F86 HydrophobicContact CB-CE1 4.41Å; F34-F86 HydrophobicContact CD1-CE1 4.07Å; F38-F86 HydrophobicContact CB-CD1 4.4Å; F38-F86 HydrophobicContact CB-CE1 4.4Å; F38-F86 HydrophobicContact CD2-CB 3.79Å; F38-F86 AromaticContact CD2-CD1 3.98Å; F38-F86 HydrophobicContact CD2-CD1 3.98Å; F38-F86 HydrophobicContact CD2-CD2 4.1Å; F38-F86 AromaticContact CD2-CG 3.71Å; F38-F86 HydrophobicContact CD2-CG 3.71Å; F38-F86 HydrophobicContact CE2-CB 3.99Å; F38-F86 HydrophobicContact CE2-CG 4.32Å; I41-F86 HydrophobicContact CD1-CE2 4.09Å; I41-F86 HydrophobicContact CD1-CZ 4.25Å; I49-F86 HydrophobicContact CD1-CD2 3.89Å; I49-F86 HydrophobicContact CD1-CE2 4.1Å; I81-F86 HydrophobicContact CG2-CB 4.16Å; I81-F86 HydrophobicContact CG2-CD2 4.36Å; N82-F86 PolarHBondContact O-N 2.73Å; F83-F86 HydrophobicContact CD2-CD1 4.45Å; F83-F86 HydrophobicContact CE2-CD1 4.49Å; F86-T88 PolarHBondContact O-N 2.99Å; F86-M89 PolarHBondContact O-N 2.89Å; F86-F90 HydrophobicContact CD1-CD2 4.21Å; F86-F90 HydrophobicContact CD1-CE2 4.43Å; F86-F90 HydrophobicContact CD2-CD2 4.36Å; F86-F90 HydrophobicContact CD2-CE2 4.09Å; F86-F90 AromaticContact CE1-CD2 3.96Å; F86-F90 HydrophobicContact CE1-CD2 3.96Å; F86-F90 AromaticContact CE1-CE2 3.86Å; F86-F90 HydrophobicContact CE1-CE2 3.86Å; F86-F90 HydrophobicContact CE2-CD2 4.13Å; F86-F90 AromaticContact CE2-CE2 3.48Å; F86-F90 HydrophobicContact CE2-CE2 3.48Å; F86-F90 VanDerWaalsContact CE2-CE2 3.48Å; F86-F90 HydrophobicContact CE2-CZ 4.45Å; F86-F90 HydrophobicContact CG-CD2 4.41Å; F86-F90 AromaticContact CZ-CD2 3.92Å; F86-F90 HydrophobicContact CZ-CD2 3.92Å; F86-F90 AromaticContact CZ-CE2 3.34Å; F86-F90 HydrophobicContact CZ-CE2 3.34Å; F86-F90 HydrophobicContact CZ-CZ 4.13Å; F86-F90 WeakPolarHBondContact O-CD2 3.44Å; F86-F90 PolarHBondContact O-N 3.26Å; F86-F90 VanDerWaalsContact O-N 3.1Å
87	L	91	Very high	84.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.8	-33.9	173.5	-72.3	-179.8	0	0	0	112.8	V22 F23 F26 F34 F83 M85 G91	V22-L87 HydrophobicContact CG1-CB 4.41Å; V22-L87 HydrophobicContact CG2-CB 3.95Å; V22-L87 WeakPolarHBondContact CG2-O 3.45Å; F23-L87 HydrophobicContact CD1-CD1 3.86Å; F23-L87 HydrophobicContact CE1-CD1 3.34Å; F23-L87 HydrophobicContact CE2-CD1 4.28Å; F23-L87 HydrophobicContact CZ-CD1 3.59Å; F26-L87 HydrophobicContact CD2-CD2 4.4Å; F26-L87 HydrophobicContact CE2-CD2 4.4Å; F34-L87 HydrophobicContact CB-CD2 3.57Å; F34-L87 HydrophobicContact CD2-CD2 3.58Å; F34-L87 HydrophobicContact CE2-CD2 4.45Å; F34-L87 HydrophobicContact CG-CD2 3.69Å; F83-L87 HydrophobicContact CD1-CD1 4.24Å; F83-L87 HydrophobicContact CE1-CD1 3.68Å; F83-L87 HydrophobicContact CE1-CG 4.2Å; F83-L87 HydrophobicContact CE2-CD1 4.49Å; F83-L87 HydrophobicContact CE2-CD2 4.27Å; F83-L87 HydrophobicContact CE2-CG 4.15Å; F83-L87 HydrophobicContact CZ-CD1 3.82Å; F83-L87 HydrophobicContact CZ-CD2 4.07Å; F83-L87 HydrophobicContact CZ-CG 3.94Å; F83-L87 WeakPolarHBondContact O-CG 3.31Å; F83-L87 PolarHBondContact O-N 3.44Å; M85-L87 PolarHBondContact O-N 3.31Å; L87-G91 WeakPolarHBondContact O-CA 3.49Å; L87-G91 PolarHBondContact O-N 2.69Å
88	T	88	Confident	84.3	Confident	17 Å²	17	60.3 Å²	60.3	10%	0.104	36%	0.356	C	S	.	.	H	α-helix	trans	-68.7	-44.4	179.7	-55	0	0	0	0	110.6	T84 M85 F86 F90 G91 E92	T84-T88 PolarHBondContact O-N 3.25Å; T84-T88 PolarHBondContact O-OG1 3.41Å; M85-T88 CarbonylContact O-C 3.53Å; M85-T88 WeakPolarHBondContact O-CA 3.36Å; M85-T88 WeakPolarHBondContact O-CB 3.41Å; M85-T88 PolarHBondContact O-N 3.4Å; F86-T88 PolarHBondContact O-N 2.99Å; T88-F90 PolarHBondContact O-N 3.44Å; T88-G91 PolarHBondContact O-N 2.76Å; T88-E92 HydrophobicContact CG2-CG 4.41Å; T88-E92 WeakPolarHBondContact O-CG 3.44Å; T88-E92 PolarHBondContact O-N 3.01Å
89	M	86	Confident	83.9	Confident	37 Å²	37	58.8 Å²	58.8	18%	0.182	35%	0.346	C	S	.	.	H	α-helix	trans	-62.3	-42.8	177	-63.5	-157.4	-60.5	0	0	112	A77 I81 M85 F86 K93	A77-M89 HydrophobicContact CB-CE 4.21Å; A77-M89 HydrophobicContact CB-SD 3.61Å; I81-M89 HydrophobicContact CD1-CE 4.07Å; I81-M89 HydrophobicContact CG1-CE 4.35Å; I81-M89 HydrophobicContact CG2-CE 4.1Å; M85-M89 WeakPolarHBondContact O-CG 3.45Å; M85-M89 PolarHBondContact O-N 3.4Å; F86-M89 PolarHBondContact O-N 2.89Å; M89-K93 WeakPolarHBondContact O-CG 3.5Å; M89-K93 PolarHBondContact O-N 3.18Å
90	F	82.7	Confident	83.7	Confident	82 Å²	82	59.4 Å²	59.4	36%	0.36	34%	0.34	S	S	.	.	H	α-helix	trans	-69	-37.8	173.6	-84.5	-86.1	0	0	0	112.2	F26 F34 F86 T88 K93 L94	F26-F90 HydrophobicContact CZ-CB 4.45Å; F34-F90 HydrophobicContact CD1-CG 4.38Å; F34-F90 HydrophobicContact CE1-CB 3.99Å; F34-F90 AromaticContact CE1-CD1 3.64Å; F34-F90 HydrophobicContact CE1-CD1 3.64Å; F34-F90 HydrophobicContact CE1-CD2 4.32Å; F34-F90 HydrophobicContact CE1-CE1 4.19Å; F34-F90 AromaticContact CE1-CG 3.71Å; F34-F90 HydrophobicContact CE1-CG 3.71Å; F34-F90 HydrophobicContact CZ-CB 4.09Å; F34-F90 HydrophobicContact CZ-CD1 4.2Å; F34-F90 HydrophobicContact CZ-CG 4.26Å; F86-F90 HydrophobicContact CD1-CD2 4.21Å; F86-F90 HydrophobicContact CD1-CE2 4.43Å; F86-F90 HydrophobicContact CD2-CD2 4.36Å; F86-F90 HydrophobicContact CD2-CE2 4.09Å; F86-F90 AromaticContact CE1-CD2 3.96Å; F86-F90 HydrophobicContact CE1-CD2 3.96Å; F86-F90 AromaticContact CE1-CE2 3.86Å; F86-F90 HydrophobicContact CE1-CE2 3.86Å; F86-F90 HydrophobicContact CE2-CD2 4.13Å; F86-F90 AromaticContact CE2-CE2 3.48Å; F86-F90 HydrophobicContact CE2-CE2 3.48Å; F86-F90 VanDerWaalsContact CE2-CE2 3.48Å; F86-F90 HydrophobicContact CE2-CZ 4.45Å; F86-F90 HydrophobicContact CG-CD2 4.41Å; F86-F90 AromaticContact CZ-CD2 3.92Å; F86-F90 HydrophobicContact CZ-CD2 3.92Å; F86-F90 AromaticContact CZ-CE2 3.34Å; F86-F90 HydrophobicContact CZ-CE2 3.34Å; F86-F90 HydrophobicContact CZ-CZ 4.13Å; F86-F90 WeakPolarHBondContact O-CD2 3.44Å; F86-F90 PolarHBondContact O-N 3.26Å; F86-F90 VanDerWaalsContact O-N 3.1Å; T88-F90 PolarHBondContact O-N 3.44Å; F90-K93 PolarHBondContact O-N 2.75Å; F90-L94 WeakPolarHBondContact O-CB 3.31Å; F90-L94 VanDerWaalsContact O-CG 3.25Å; F90-L94 WeakPolarHBondContact O-CG 3.36Å; F90-L94 PolarHBondContact O-N 2.85Å
91	G	81.9	Confident	83.4	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-46.6	178.2	0	0	0	0	0	111.9	F26 L87 T88 K93 L94 T95	F26-G91 VanDerWaalsContact CZ-CA 3.41Å; L87-G91 WeakPolarHBondContact O-CA 3.49Å; L87-G91 PolarHBondContact O-N 2.69Å; T88-G91 PolarHBondContact O-N 2.76Å; G91-K93 VanDerWaalsContact C-N 3.35Å; G91-L94 CarbonylContact O-C 3.56Å; G91-L94 PolarHBondContact O-N 3.19Å; G91-T95 WeakPolarHBondContact O-CG2 3.39Å; G91-T95 PolarHBondContact O-N 2.92Å; G91-T95 PolarHBondContact O-OG1 3.24Å
92	E	78.8	Confident	83.1	Confident	131 Å²	131	64.8 Å²	64.8	61%	0.612	36%	0.357	S	S	*	.	H	α-helix	trans	-66.3	-35.3	177.3	-71.5	178.4	171.4	0	0	112.4	T88 L94 T95	T88-E92 HydrophobicContact CG2-CG 4.41Å; T88-E92 WeakPolarHBondContact O-CG 3.44Å; T88-E92 PolarHBondContact O-N 3.01Å; E92-L94 VanDerWaalsContact C-N 3.32Å; E92-T95 WeakPolarHBondContact CA-OG1 3.33Å; E92-T95 PolarHBondContact O-OG1 3.32Å
93	K	72.4	Confident	82.9	Confident	144 Å²	144	63.4 Å²	63.4	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-72.1	-26	173.8	-70.4	-174.6	-176	-177.1	0	112.7	E76 M89 F90 G91	E76-K93 IonicContact OE2-NZ 2.69Å; E76-K93 PolarHBondContact OE2-NZ 3.46Å; M89-K93 WeakPolarHBondContact O-CG 3.5Å; M89-K93 PolarHBondContact O-N 3.18Å; F90-K93 PolarHBondContact O-N 2.75Å; G91-K93 VanDerWaalsContact C-N 3.35Å
94	L	69.5	Low	82.7	Confident	83 Å²	83	66.5 Å²	66.5	44%	0.435	36%	0.36	S	S	.	.	H	α-helix	trans	-96.7	-13.5	178.8	-66.8	170.1	0	0	0	113.4	F26 F34 F90 G91 E92 G96 T97	F26-L94 HydrophobicContact CE1-CD1 3.68Å; F26-L94 HydrophobicContact CZ-CD1 4.17Å; F34-L94 HydrophobicContact CZ-CD1 4.15Å; F90-L94 WeakPolarHBondContact O-CB 3.31Å; F90-L94 VanDerWaalsContact O-CG 3.25Å; F90-L94 WeakPolarHBondContact O-CG 3.36Å; F90-L94 PolarHBondContact O-N 2.85Å; G91-L94 CarbonylContact O-C 3.56Å; G91-L94 PolarHBondContact O-N 3.19Å; E92-L94 VanDerWaalsContact C-N 3.32Å; L94-G96 PolarHBondContact O-N 3.15Å; L94-T97 PolarHBondContact O-N 2.9Å
95	T	67.1	Low	82.7	Confident	79 Å²	79	68.5 Å²	68.5	49%	0.485	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	127.3	174.3	33.5	0	0	0	0	110.9	M25 G91 E92	M25-T95 HydrophobicContact CE-CG2 2.95Å; G91-T95 WeakPolarHBondContact O-CG2 3.39Å; G91-T95 PolarHBondContact O-N 2.92Å; G91-T95 PolarHBondContact O-OG1 3.24Å; E92-T95 WeakPolarHBondContact CA-OG1 3.33Å; E92-T95 PolarHBondContact O-OG1 3.32Å
96	G	68.4	Low	82.7	Confident	80 Å²	80	69.2 Å²	69.2	83%	0.825	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.2	-9.3	175.9	0	0	0	0	0	113.7	L94	L94-G96 PolarHBondContact O-N 3.15Å
97	T	74.5	Confident	82.9	Confident	84 Å²	84	70.2 Å²	70.2	52%	0.515	39%	0.386	S	S	.	.			trans	-89.5	114.6	173.2	-51.6	0	0	0	0	109.7	L94 I103	L94-T97 PolarHBondContact O-N 2.9Å; T97-I103 HydrophobicContact CG2-CD1 4.06Å
98	D	80.9	Confident	83	Confident	100 Å²	100	74.1 Å²	74.1	54%	0.535	40%	0.404	S	S	.	.			trans	-64.7	156.8	174.1	-80.4	-45.4	0	0	0	111.8	L100 V102 I103	D98-L100 PolarHBondContact O-N 3.37Å; D98-V102 HydrophobicContact CB-CB 4.27Å; D98-V102 HydrophobicContact CB-CG1 4.15Å; D98-I103 HydrophobicContact CB-CD1 4.32Å; D98-I103 HydrophobicContact CB-CG1 3.82Å; D98-I103 VanDerWaalsContact O-CD1 3.24Å; D98-I103 WeakPolarHBondContact O-CD1 3.4Å
99	P	79.4	Confident	83.3	Confident	83 Å²	83	78.1 Å²	78.1	54%	0.539	43%	0.431	S	S	.	.			trans	-53.2	140.3	172.8	-23.3	32.5	0	0	0	111.1	E101 V102 I103	P99-E101 PolarHBondContact O-N 3.4Å; P99-E101 VanDerWaalsContact O-N 3.09Å; P99-V102 HydrophobicContact CB-CB 4.49Å; P99-V102 HydrophobicContact CB-CG2 4.06Å; P99-V102 HydrophobicContact CG-CG2 4.1Å; P99-V102 WeakPolarHBondContact O-CA 3.42Å; P99-V102 VanDerWaalsContact O-CB 3.29Å; P99-V102 WeakPolarHBondContact O-CB 3.32Å; P99-V102 PolarHBondContact O-N 3.34Å; P99-I103 PolarHBondContact O-N 3.34Å
100	L	84.3	Confident	83.6	Confident	52 Å²	52	80.8 Å²	80.8	27%	0.272	44%	0.442	S	S	.	.	H	α-helix	trans	-52.8	-38.2	-176	-71	168.3	0	0	0	113.8	D98 V102 I103 R104 T159 L162 K163	D98-L100 PolarHBondContact O-N 3.37Å; L100-V102 VanDerWaalsContact C-N 3.31Å; L100-V102 PolarHBondContact O-N 2.97Å; L100-I103 PolarHBondContact O-N 3.18Å; L100-R104 VanDerWaalsContact O-CB 3.28Å; L100-R104 WeakPolarHBondContact O-CB 3.39Å; L100-R104 PolarHBondContact O-N 2.76Å; L100-T159 WeakPolarHBondContact CD2-O 3.3Å; L100-L162 HydrophobicContact CD2-CB 4Å; L100-K163 HydrophobicContact CD1-CB 3.52Å; L100-K163 HydrophobicContact CD1-CD 3.66Å; L100-K163 HydrophobicContact CD1-CG 3.55Å; L100-K163 HydrophobicContact CD2-CB 4.47Å
101	E	86.1	Confident	84.2	Confident	123 Å²	123	77.5 Å²	77.5	58%	0.575	43%	0.428	S	S	*	.	H	α-helix	trans	-64.5	-36.2	176.1	-63.7	-60.9	155	0	0	111.8	P99 N105	P99-E101 PolarHBondContact O-N 3.4Å; P99-E101 VanDerWaalsContact O-N 3.09Å; E101-N105 VanDerWaalsContact O-CB 3.22Å; E101-N105 WeakPolarHBondContact O-CB 3.49Å; E101-N105 PolarHBondContact O-N 3.36Å; E101-N105 PolarHBondContact O-ND2 2.84Å; E101-N105 VanDerWaalsContact O-ND2 3.09Å; E101-N105 PolarHBondContact O-OD1 2.97Å
102	V	89.7	Confident	84.6	Confident	73 Å²	73	86.6 Å²	86.6	44%	0.442	47%	0.47	S	S	.	.	H	α-helix	trans	-67.4	-46	175.6	177.3	0	0	0	0	110	D98 P99 L100 R104 N105 A106	D98-V102 HydrophobicContact CB-CB 4.27Å; D98-V102 HydrophobicContact CB-CG1 4.15Å; P99-V102 HydrophobicContact CB-CB 4.49Å; P99-V102 HydrophobicContact CB-CG2 4.06Å; P99-V102 HydrophobicContact CG-CG2 4.1Å; P99-V102 WeakPolarHBondContact O-CA 3.42Å; P99-V102 VanDerWaalsContact O-CB 3.29Å; P99-V102 WeakPolarHBondContact O-CB 3.32Å; P99-V102 PolarHBondContact O-N 3.34Å; L100-V102 VanDerWaalsContact C-N 3.31Å; L100-V102 PolarHBondContact O-N 2.97Å; V102-R104 PolarHBondContact O-N 2.9Å; V102-N105 PolarHBondContact O-N 3.25Å; V102-A106 PolarHBondContact O-N 3.32Å
103	I	90.8	Very high	85.2	Confident	28 Å²	28	87.5 Å²	87.5	14%	0.144	48%	0.48	C	S	.	.	H	α-helix	trans	-60.3	-46.5	176.5	-60.8	177.4	0	0	0	110.4	T97 D98 P99 L100 N105 A106 F107 T159 L162	T97-I103 HydrophobicContact CG2-CD1 4.06Å; D98-I103 HydrophobicContact CB-CD1 4.32Å; D98-I103 HydrophobicContact CB-CG1 3.82Å; D98-I103 VanDerWaalsContact O-CD1 3.24Å; D98-I103 WeakPolarHBondContact O-CD1 3.4Å; P99-I103 PolarHBondContact O-N 3.34Å; L100-I103 PolarHBondContact O-N 3.18Å; I103-N105 PolarHBondContact O-N 3.27Å; I103-A106 WeakPolarHBondContact O-CB 3.44Å; I103-A106 PolarHBondContact O-N 3.11Å; I103-F107 HydrophobicContact CG2-CD2 4.15Å; I103-F107 HydrophobicContact CG2-CE2 3.77Å; I103-F107 VanDerWaalsContact O-CD2 3.29Å; I103-F107 WeakPolarHBondContact O-CD2 3.45Å; I103-F107 PolarHBondContact O-N 2.63Å; I103-T159 HydrophobicContact CB-CG2 4.38Å; I103-T159 HydrophobicContact CG2-CG2 3.88Å; I103-L162 HydrophobicContact CD1-CD1 4.12Å; I103-L162 HydrophobicContact CG2-CD1 4.42Å
104	R	90.5	Very high	86.2	Confident	106 Å²	106	83.2 Å²	83.2	40%	0.4	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-43.9	178.9	-171.9	-178.4	-177.9	-170.9	0.8	112	L100 V102 A106 F107 Q108 Y155 T159	L100-R104 VanDerWaalsContact O-CB 3.28Å; L100-R104 WeakPolarHBondContact O-CB 3.39Å; L100-R104 PolarHBondContact O-N 2.76Å; V102-R104 PolarHBondContact O-N 2.9Å; R104-A106 VanDerWaalsContact C-N 3.27Å; R104-A106 PolarHBondContact O-N 3.31Å; R104-F107 PolarHBondContact O-N 3.11Å; R104-Q108 PolarHBondContact O-N 3.22Å; R104-Y155 HydrophobicContact CG-CD2 4.14Å; R104-Y155 HydrophobicContact CG-CE2 4.01Å; R104-T159 HydrophobicContact CB-CG2 4.22Å
105	N	91.1	Very high	87.4	Confident	81 Å²	81	82.9 Å²	82.9	43%	0.433	48%	0.478	S	S	.	.	H	α-helix	trans	-64.6	-33.8	177.8	-70.2	-17.5	0	0	0	111.5	E101 V102 I103 Q108 C109	E101-N105 VanDerWaalsContact O-CB 3.22Å; E101-N105 WeakPolarHBondContact O-CB 3.49Å; E101-N105 PolarHBondContact O-N 3.36Å; E101-N105 PolarHBondContact O-ND2 2.84Å; E101-N105 VanDerWaalsContact O-ND2 3.09Å; E101-N105 PolarHBondContact O-OD1 2.97Å; V102-N105 PolarHBondContact O-N 3.25Å; I103-N105 PolarHBondContact O-N 3.27Å; N105-Q108 PolarHBondContact O-N 2.88Å; N105-Q108 PolarHBondContact OD1-OE1 2.98Å; N105-C109 PolarHBondContact O-N 3.15Å; N105-C109 PolarHBondContact O-SG 2.85Å; N105-C109 VanDerWaalsContact O-SG 3.41Å
106	A	92.9	Very high	88.8	Confident	54 Å²	54	80 Å²	80	45%	0.446	46%	0.463	S	S	.	.	H	α-helix	trans	-63	-41.2	175	0	0	0	0	0	111.9	V102 I103 R104 C109	V102-A106 PolarHBondContact O-N 3.32Å; I103-A106 WeakPolarHBondContact O-CB 3.44Å; I103-A106 PolarHBondContact O-N 3.11Å; R104-A106 VanDerWaalsContact C-N 3.27Å; R104-A106 PolarHBondContact O-N 3.31Å; A106-C109 WeakPolarHBondContact O-CB 3.25Å; A106-C109 PolarHBondContact O-N 2.74Å
107	F	94.4	Very high	90.2	Very high	37 Å²	37	80.2 Å²	80.2	16%	0.162	44%	0.442	C	S	.	.	H	α-helix	trans	-67.7	-38.9	173.8	-74.1	-62.2	0	0	0	112.7	I103 R104 C109 F110 I118 L123 F153 Y155 F158	I103-F107 HydrophobicContact CG2-CD2 4.15Å; I103-F107 HydrophobicContact CG2-CE2 3.77Å; I103-F107 VanDerWaalsContact O-CD2 3.29Å; I103-F107 WeakPolarHBondContact O-CD2 3.45Å; I103-F107 PolarHBondContact O-N 2.63Å; R104-F107 PolarHBondContact O-N 3.11Å; F107-C109 PolarHBondContact O-N 2.88Å; F107-C109 VanDerWaalsContact O-N 3.09Å; F107-F110 PolarHBondContact O-N 2.98Å; F107-I118 HydrophobicContact CB-CD1 3.85Å; F107-I118 HydrophobicContact CD1-CD1 3.55Å; F107-I118 HydrophobicContact CG-CD1 4.13Å; F107-L123 HydrophobicContact CE1-CD1 4.28Å; F107-F153 HydrophobicContact CD1-CE1 4.08Å; F107-F153 AromaticContact CE1-CE1 3.68Å; F107-F153 HydrophobicContact CE1-CE1 3.68Å; F107-F153 HydrophobicContact CE1-CZ 4.37Å; F107-F153 HydrophobicContact CE2-CE1 4.37Å; F107-F153 AromaticContact CZ-CE1 3.84Å; F107-F153 HydrophobicContact CZ-CE1 3.84Å; F107-F153 HydrophobicContact CZ-CZ 4.13Å; F107-Y155 HydrophobicContact CB-CD1 4.05Å; F107-Y155 HydrophobicContact CB-CD2 3.74Å; F107-Y155 HydrophobicContact CB-CE2 4.32Å; F107-Y155 HydrophobicContact CB-CG 3.6Å; F107-Y155 HydrophobicContact CD2-CG 4.4Å; F107-Y155 HydrophobicContact CG-CD2 4.46Å; F107-Y155 HydrophobicContact CG-CG 4.09Å; F107-F158 AromaticContact CE2-CD1 3.8Å; F107-F158 HydrophobicContact CE2-CD1 3.8Å; F107-F158 AromaticContact CE2-CE1 3.96Å; F107-F158 HydrophobicContact CE2-CE1 3.96Å; F107-F158 HydrophobicContact CZ-CD1 4.14Å; F107-F158 HydrophobicContact CZ-CE1 4.08Å
108	Q	93.8	Very high	91.2	Very high	82 Å²	82	76.3 Å²	76.3	38%	0.383	42%	0.418	S	S	.	.	H	α-helix	trans	-58.4	-23.1	176.2	-81.5	-176.8	-31.7	0	0	113.7	R104 N105 F110 D111 Y155	R104-Q108 PolarHBondContact O-N 3.22Å; N105-Q108 PolarHBondContact O-N 2.88Å; N105-Q108 PolarHBondContact OD1-OE1 2.98Å; Q108-F110 PolarHBondContact O-N 3.03Å; Q108-D111 PolarHBondContact O-N 3.1Å; Q108-Y155 HydrophobicContact CG-CE2 4.01Å; Q108-Y155 WeakPolarHBondContact CG-OH 3.43Å
109	C	93.3	Very high	92	Very high	100 Å²	100	74.8 Å²	74.8	68%	0.676	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.3	173.4	-64.6	0	0	0	0	113.8	N105 A106 F107	N105-C109 PolarHBondContact O-N 3.15Å; N105-C109 PolarHBondContact O-SG 2.85Å; N105-C109 VanDerWaalsContact O-SG 3.41Å; A106-C109 WeakPolarHBondContact O-CB 3.25Å; A106-C109 PolarHBondContact O-N 2.74Å; F107-C109 PolarHBondContact O-N 2.88Å; F107-C109 VanDerWaalsContact O-N 3.09Å
110	F	93	Very high	92.8	Very high	93 Å²	93	73.2 Å²	73.2	41%	0.408	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-3.6	179	-56.1	-75.5	0	0	0	113.5	F107 Q108 I118 L126	F107-F110 PolarHBondContact O-N 2.98Å; Q108-F110 PolarHBondContact O-N 3.03Å; F110-I118 HydrophobicContact CB-CD1 4.11Å; F110-I118 HydrophobicContact CB-CG1 4.43Å; F110-L126 HydrophobicContact CD1-CD1 3.53Å; F110-L126 HydrophobicContact CD1-CD2 4.18Å; F110-L126 HydrophobicContact CD2-CD1 4.13Å; F110-L126 HydrophobicContact CE1-CD1 3.59Å; F110-L126 HydrophobicContact CE1-CD2 3.59Å; F110-L126 HydrophobicContact CE1-CG 4.26Å; F110-L126 HydrophobicContact CE2-CD1 4.19Å; F110-L126 HydrophobicContact CG-CD1 3.81Å; F110-L126 HydrophobicContact CZ-CD1 3.92Å; F110-L126 HydrophobicContact CZ-CD2 4.14Å
111	D	94.7	Very high	93.3	Very high	14 Å²	14	76.2 Å²	76.2	8%	0.075	41%	0.412	C	S	.	.			trans	-114.5	74.7	178.1	176.4	25.7	0	0	0	109	Q108 D113 G114 T115 G116 I118 Y155	Q108-D111 PolarHBondContact O-N 3.1Å; D111-D113 PolarHBondContact O-N 2.89Å; D111-G114 PolarHBondContact O-N 3.28Å; D111-G114 PolarHBondContact OD1-N 2.96Å; D111-G114 VanDerWaalsContact OD2-CA 3.32Å; D111-G114 WeakPolarHBondContact OD2-CA 3.33Å; D111-T115 VanDerWaalsContact CG-N 3.26Å; D111-T115 PolarHBondContact OD1-N 3.28Å; D111-T115 PolarHBondContact OD1-OG1 3.45Å; D111-T115 PolarHBondContact OD2-N 3.46Å; D111-T115 PolarHBondContact OD2-OG1 3.35Å; D111-G116 PolarHBondContact OD2-N 3.08Å; D111-I118 HydrophobicContact CB-CG1 4.42Å; D111-Y155 HydrophobicContact CB-CE1 4.08Å; D111-Y155 PolarHBondContact OD2-OH 3.26Å
112	E	90.2	Very high	93.8	Very high	191 Å²	191	73.3 Å²	73.3	89%	0.893	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.8	-175.2	-65.1	-172.4	170.2	0	0	112.8	G114	E112-G114 VanDerWaalsContact C-N 3.33Å
113	D	93.1	Very high	94.1	Very high	150 Å²	150	70.5 Å²	70.5	80%	0.802	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-8.2	179.8	-70.2	-38.1	0	0	0	112.9	D111 T115	D111-D113 PolarHBondContact O-N 2.89Å; D113-T115 VanDerWaalsContact C-N 3.3Å; D113-T115 HydrophobicContact CB-CG2 3.82Å; D113-T115 PolarHBondContact O-N 3Å
114	G	93.1	Very high	94.3	Very high	54 Å²	54	71.6 Å²	71.6	56%	0.557	38%	0.384	S	S	*	.			trans	63.6	33.9	179.2	0	0	0	0	0	113.6	D111 E112 G116	D111-G114 PolarHBondContact O-N 3.28Å; D111-G114 PolarHBondContact OD1-N 2.96Å; D111-G114 VanDerWaalsContact OD2-CA 3.32Å; D111-G114 WeakPolarHBondContact OD2-CA 3.33Å; E112-G114 VanDerWaalsContact C-N 3.33Å; G114-G116 VanDerWaalsContact C-N 3.28Å; G114-G116 PolarHBondContact O-N 2.84Å
115	T	95.2	Very high	94.6	Very high	76 Å²	76	71.9 Å²	71.9	47%	0.466	39%	0.39	S	S	.	.			trans	-68.8	-23.3	-178.2	63.4	0	0	0	0	113.8	D111 D113 F117	D111-T115 VanDerWaalsContact CG-N 3.26Å; D111-T115 PolarHBondContact OD1-N 3.28Å; D111-T115 PolarHBondContact OD1-OG1 3.45Å; D111-T115 PolarHBondContact OD2-N 3.46Å; D111-T115 PolarHBondContact OD2-OG1 3.35Å; D113-T115 VanDerWaalsContact C-N 3.3Å; D113-T115 HydrophobicContact CB-CG2 3.82Å; D113-T115 PolarHBondContact O-N 3Å; T115-F117 VanDerWaalsContact O-CD2 3.3Å; T115-F117 WeakPolarHBondContact O-CD2 3.35Å; T115-F117 PolarHBondContact OG1-N 3.48Å; T115-F117 VanDerWaalsContact OG1-N 3.11Å; T115-F117 PolarHBondContact OG1-O 3.16Å
116	G	95.5	Very high	94.7	Very high	18 Å²	18	69.1 Å²	69.1	19%	0.186	38%	0.375	C	S	.	.	S	Bend	trans	89	2.2	-167.9	0	0	0	0	0	113.8	D111 G114 Y155	D111-G116 PolarHBondContact OD2-N 3.08Å; G114-G116 VanDerWaalsContact C-N 3.28Å; G114-G116 PolarHBondContact O-N 2.84Å; G116-Y155 VanDerWaalsContact CA-CE1 3.45Å; G116-Y155 WeakPolarHBondContact CA-OH 3.27Å; G116-Y155 VanDerWaalsContact O-CD1 3.24Å; G116-Y155 WeakPolarHBondContact O-CD1 3.46Å; G116-Y155 VanDerWaalsContact O-CE1 3.27Å; G116-Y155 WeakPolarHBondContact O-CE1 3.47Å
117	F	97.2	Very high	94.8	Very high	85 Å²	85	68.7 Å²	68.7	37%	0.373	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.4	-174.9	-58.5	-87.7	0	0	0	112.2	T115 Q152 F153 N154	T115-F117 VanDerWaalsContact O-CD2 3.3Å; T115-F117 WeakPolarHBondContact O-CD2 3.35Å; T115-F117 PolarHBondContact OG1-N 3.48Å; T115-F117 VanDerWaalsContact OG1-N 3.11Å; T115-F117 PolarHBondContact OG1-O 3.16Å; F117-Q152 HydrophobicContact CB-CB 4.32Å; F117-Q152 HydrophobicContact CD1-CB 4.06Å; F117-Q152 HydrophobicContact CG-CB 4.48Å; F117-F153 CarbonylContact C-O 3.6Å; F117-F153 VanDerWaalsContact CA-O 3.27Å; F117-F153 WeakPolarHBondContact CA-O 3.42Å; F117-N154 HydrophobicContact CD1-CB 4Å; F117-N154 HydrophobicContact CE1-CB 3.76Å
118	I	96.4	Very high	94.9	Very high	3 Å²	3	68.5 Å²	68.5	2%	0.015	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.1	170.3	-62.4	168.5	0	0	0	107.7	F107 F110 D111 E120 L122 L123 F153 Y155	F107-I118 HydrophobicContact CB-CD1 3.85Å; F107-I118 HydrophobicContact CD1-CD1 3.55Å; F107-I118 HydrophobicContact CG-CD1 4.13Å; F110-I118 HydrophobicContact CB-CD1 4.11Å; F110-I118 HydrophobicContact CB-CG1 4.43Å; D111-I118 HydrophobicContact CB-CG1 4.42Å; I118-E120 PolarHBondContact O-N 3.33Å; I118-L122 HydrophobicContact CG2-CD2 4.22Å; I118-L122 HydrophobicContact CG2-CG 4.48Å; I118-L123 HydrophobicContact CG2-CB 4.25Å; I118-F153 HydrophobicContact CB-CD1 4.47Å; I118-F153 PolarHBondContact N-O 3.02Å; I118-F153 WeakPolarHBondContact O-CB 3.06Å; I118-F153 PolarHBondContact O-N 3.49Å; I118-Y155 HydrophobicContact CD1-CD1 4.08Å; I118-Y155 HydrophobicContact CG1-CD1 4.04Å; I118-Y155 HydrophobicContact CG1-CE1 4.35Å
119	N	96.5	Very high	94.9	Very high	67 Å²	67	67.6 Å²	67.6	36%	0.358	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	134.1	175.6	179.7	-81.7	0	0	0	111	D121 L122 L123	N119-D121 VanDerWaalsContact C-N 3.34Å; N119-D121 PolarHBondContact O-N 2.96Å; N119-D121 VanDerWaalsContact OD1-CB 3.31Å; N119-D121 WeakPolarHBondContact OD1-CB 3.29Å; N119-D121 PolarHBondContact OD1-N 3.15Å; N119-L122 HydrophobicContact CB-CB 4.18Å; N119-L122 WeakPolarHBondContact O-CB 3.39Å; N119-L122 PolarHBondContact O-N 3.08Å; N119-L122 PolarHBondContact OD1-N 3.39Å; N119-L123 PolarHBondContact O-N 3Å
120	E	96.6	Very high	94.7	Very high	51 Å²	51	68.3 Å²	68.3	24%	0.238	36%	0.362	C	S	.	.	H	α-helix	trans	-57.9	-43.4	-177.4	-179.5	-176.2	171.3	0	0	112.6	I118 L122 L123 R124 F143 I148 G151	I118-E120 PolarHBondContact O-N 3.33Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-L122 PolarHBondContact O-N 3.2Å; E120-L123 PolarHBondContact O-N 2.95Å; E120-R124 WeakPolarHBondContact O-CB 3.46Å; E120-R124 PolarHBondContact O-N 2.84Å; E120-F143 HydrophobicContact CG-CD2 3.81Å; E120-F143 HydrophobicContact CG-CE2 3.44Å; E120-F143 VanDerWaalsContact CG-CE2 3.44Å; E120-F143 HydrophobicContact CG-CZ 4.45Å; E120-F143 WeakPolarHBondContact OE1-CD2 3.4Å; E120-I148 HydrophobicContact CB-CG2 4.3Å; E120-I148 HydrophobicContact CG-CD1 4.28Å; E120-I148 HydrophobicContact CG-CG2 4.26Å; E120-G151 WeakPolarHBondContact CB-O 3.22Å; E120-G151 PolarHBondContact N-O 3.02Å
121	D	96.3	Very high	94.5	Very high	114 Å²	114	67.2 Å²	67.2	61%	0.61	38%	0.378	S	S	*	.	H	α-helix	trans	-65.2	-40.5	-179.9	-61.9	-45	0	0	0	110.9	N119 R124 E125	N119-D121 VanDerWaalsContact C-N 3.34Å; N119-D121 PolarHBondContact O-N 2.96Å; N119-D121 VanDerWaalsContact OD1-CB 3.31Å; N119-D121 WeakPolarHBondContact OD1-CB 3.29Å; N119-D121 PolarHBondContact OD1-N 3.15Å; D121-R124 PolarHBondContact O-N 3.25Å; D121-E125 WeakPolarHBondContact O-CB 3.47Å; D121-E125 PolarHBondContact O-N 3.39Å
122	L	95.2	Very high	94.1	Very high	62 Å²	62	73.8 Å²	73.8	33%	0.325	41%	0.413	S	S	.	.	H	α-helix	trans	-62.3	-45.2	173.5	175.8	62.1	0	0	0	110.9	I118 N119 E120 R124 E125 L126	I118-L122 HydrophobicContact CG2-CD2 4.22Å; I118-L122 HydrophobicContact CG2-CG 4.48Å; N119-L122 HydrophobicContact CB-CB 4.18Å; N119-L122 WeakPolarHBondContact O-CB 3.39Å; N119-L122 PolarHBondContact O-N 3.08Å; N119-L122 PolarHBondContact OD1-N 3.39Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-L122 PolarHBondContact O-N 3.2Å; L122-R124 VanDerWaalsContact C-N 3.33Å; L122-R124 PolarHBondContact O-N 3.09Å; L122-E125 WeakPolarHBondContact O-CB 3.48Å; L122-E125 PolarHBondContact O-N 2.98Å; L122-L126 HydrophobicContact CD1-CD1 4.39Å; L122-L126 HydrophobicContact CD1-CG 4.31Å; L122-L126 HydrophobicContact CG-CD1 4.18Å; L122-L126 VanDerWaalsContact O-CG 3.27Å; L122-L126 WeakPolarHBondContact O-CG 3.44Å; L122-L126 PolarHBondContact O-N 3.22Å
123	L	95.6	Very high	94.2	Very high	14 Å²	14	73.5 Å²	73.5	7%	0.073	40%	0.403	C	S	.	.	H	α-helix	trans	-62.3	-42.1	178.9	-175.7	61.5	0	0	0	111.4	F107 I118 N119 E120 L126 L127 F143 F153	F107-L123 HydrophobicContact CE1-CD1 4.28Å; I118-L123 HydrophobicContact CG2-CB 4.25Å; N119-L123 PolarHBondContact O-N 3Å; E120-L123 PolarHBondContact O-N 2.95Å; L123-L126 PolarHBondContact O-N 3.38Å; L123-L127 HydrophobicContact CD1-CD1 4.5Å; L123-L127 HydrophobicContact CG-CD1 4.19Å; L123-L127 WeakPolarHBondContact O-CG 3.36Å; L123-L127 PolarHBondContact O-N 2.8Å; L123-F143 HydrophobicContact CB-CZ 4.14Å; L123-F143 HydrophobicContact CD2-CE1 3.84Å; L123-F143 HydrophobicContact CD2-CZ 3.84Å; L123-F143 HydrophobicContact CG-CE1 4.15Å; L123-F143 HydrophobicContact CG-CZ 3.88Å; L123-F153 HydrophobicContact CD2-CB 3.94Å; L123-F153 HydrophobicContact CD2-CD1 3.68Å; L123-F153 HydrophobicContact CD2-CD2 4.02Å; L123-F153 HydrophobicContact CD2-CE1 4.1Å; L123-F153 HydrophobicContact CD2-CE2 4.41Å; L123-F153 HydrophobicContact CD2-CG 3.61Å; L123-F153 HydrophobicContact CD2-CZ 4.44Å
124	R	96.4	Very high	94.3	Very high	51 Å²	51	71.1 Å²	71.1	19%	0.192	38%	0.384	C	S	.	.	H	α-helix	trans	-61	-45.4	173.8	176.4	179.1	-61.6	-90.1	0.1	111.7	E120 D121 L122 L126 L127 T128 V139 D140 F143	E120-R124 WeakPolarHBondContact O-CB 3.46Å; E120-R124 PolarHBondContact O-N 2.84Å; D121-R124 PolarHBondContact O-N 3.25Å; L122-R124 VanDerWaalsContact C-N 3.33Å; L122-R124 PolarHBondContact O-N 3.09Å; R124-L126 VanDerWaalsContact C-N 3.31Å; R124-L126 PolarHBondContact O-N 3.12Å; R124-L127 PolarHBondContact O-N 2.87Å; R124-T128 HydrophobicContact CG-CG2 4.38Å; R124-T128 WeakPolarHBondContact O-CB 3.46Å; R124-T128 WeakPolarHBondContact O-CG2 3.48Å; R124-T128 PolarHBondContact O-N 2.87Å; R124-T128 PolarHBondContact O-OG1 3.04Å; R124-V139 HydrophobicContact CB-CG1 4.22Å; R124-V139 HydrophobicContact CG-CG1 4.07Å; R124-D140 IonicContact CZ-OD1 3.17Å; R124-D140 IonicContact NH1-OD1 2.77Å; R124-D140 PolarHBondContact NH1-OD1 2.95Å; R124-D140 IonicContact NH2-OD1 2.91Å; R124-D140 PolarHBondContact NH2-OD1 2.85Å; R124-F143 HydrophobicContact CB-CE2 4.21Å; R124-F143 HydrophobicContact CB-CZ 4.34Å
125	E	96.3	Very high	94.5	Very high	113 Å²	113	71.8 Å²	71.8	53%	0.528	38%	0.377	S	S	.	.	H	α-helix	trans	-57.4	-46.4	175.9	-175.2	-175.8	175.5	0	0	110.7	D121 L122 L127 T128 T129	D121-E125 WeakPolarHBondContact O-CB 3.47Å; D121-E125 PolarHBondContact O-N 3.39Å; L122-E125 WeakPolarHBondContact O-CB 3.48Å; L122-E125 PolarHBondContact O-N 2.98Å; E125-L127 PolarHBondContact O-N 2.97Å; E125-T128 PolarHBondContact O-N 3.26Å; E125-T128 PolarHBondContact O-OG1 3.08Å; E125-T129 HydrophobicContact CG-CG2 4.11Å; E125-T129 VanDerWaalsContact O-CB 3.28Å; E125-T129 WeakPolarHBondContact O-CB 3.5Å; E125-T129 VanDerWaalsContact O-CG2 3.28Å; E125-T129 WeakPolarHBondContact O-CG2 3.42Å; E125-T129 PolarHBondContact O-N 3.42Å; E125-T129 PolarHBondContact O-OG1 2.9Å
126	L	94.3	Very high	94.5	Very high	22 Å²	22	72.5 Å²	72.5	12%	0.115	38%	0.378	C	S	.	.	H	α-helix	trans	-60	-46.8	179	-68	170.4	0	0	0	111.8	F110 L122 L123 R124 T128 M130	F110-L126 HydrophobicContact CD1-CD1 3.53Å; F110-L126 HydrophobicContact CD1-CD2 4.18Å; F110-L126 HydrophobicContact CD2-CD1 4.13Å; F110-L126 HydrophobicContact CE1-CD1 3.59Å; F110-L126 HydrophobicContact CE1-CD2 3.59Å; F110-L126 HydrophobicContact CE1-CG 4.26Å; F110-L126 HydrophobicContact CE2-CD1 4.19Å; F110-L126 HydrophobicContact CG-CD1 3.81Å; F110-L126 HydrophobicContact CZ-CD1 3.92Å; F110-L126 HydrophobicContact CZ-CD2 4.14Å; L122-L126 HydrophobicContact CD1-CD1 4.39Å; L122-L126 HydrophobicContact CD1-CG 4.31Å; L122-L126 HydrophobicContact CG-CD1 4.18Å; L122-L126 VanDerWaalsContact O-CG 3.27Å; L122-L126 WeakPolarHBondContact O-CG 3.44Å; L122-L126 PolarHBondContact O-N 3.22Å; L123-L126 PolarHBondContact O-N 3.38Å; R124-L126 VanDerWaalsContact C-N 3.31Å; R124-L126 PolarHBondContact O-N 3.12Å; L126-T128 VanDerWaalsContact C-N 3.31Å; L126-T128 PolarHBondContact O-N 2.91Å; L126-M130 HydrophobicContact CD2-CE 3.65Å; L126-M130 HydrophobicContact CD2-CG 4.37Å; L126-M130 HydrophobicContact CD2-SD 3.67Å; L126-M130 WeakPolarHBondContact O-CB 3.3Å; L126-M130 PolarHBondContact O-N 3.05Å
127	L	95	Very high	94.6	Very high	45 Å²	45	77.9 Å²	77.9	24%	0.236	40%	0.398	C	S	.	.	H	α-helix	trans	-67.8	-28.4	-178.6	-69.3	170.7	0	0	0	113.6	L123 R124 E125 Y134 V139 F143	L123-L127 HydrophobicContact CD1-CD1 4.5Å; L123-L127 HydrophobicContact CG-CD1 4.19Å; L123-L127 WeakPolarHBondContact O-CG 3.36Å; L123-L127 PolarHBondContact O-N 2.8Å; R124-L127 PolarHBondContact O-N 2.87Å; E125-L127 PolarHBondContact O-N 2.97Å; L127-Y134 HydrophobicContact CD2-CD2 4.44Å; L127-Y134 PolarHBondContact O-N 3.37Å; L127-V139 HydrophobicContact CB-CG2 3.93Å; L127-V139 HydrophobicContact CD1-CG1 4.18Å; L127-V139 HydrophobicContact CD1-CG2 4.34Å; L127-F143 HydrophobicContact CD1-CE1 3.8Å; L127-F143 HydrophobicContact CD1-CZ 4.2Å
128	T	96.2	Very high	94.5	Very high	34 Å²	34	78.2 Å²	78.2	21%	0.209	40%	0.401	C	S	.	.	H	α-helix	trans	-93.1	-21.2	-178.2	54.9	0	0	0	0	113	R124 E125 L126 R133 V139	R124-T128 HydrophobicContact CG-CG2 4.38Å; R124-T128 WeakPolarHBondContact O-CB 3.46Å; R124-T128 WeakPolarHBondContact O-CG2 3.48Å; R124-T128 PolarHBondContact O-N 2.87Å; R124-T128 PolarHBondContact O-OG1 3.04Å; E125-T128 PolarHBondContact O-N 3.26Å; E125-T128 PolarHBondContact O-OG1 3.08Å; L126-T128 VanDerWaalsContact C-N 3.31Å; L126-T128 PolarHBondContact O-N 2.91Å; T128-R133 WeakPolarHBondContact O-CB 3.28Å; T128-R133 WeakPolarHBondContact O-CD 3.49Å; T128-R133 WeakPolarHBondContact O-CG 3.42Å; T128-V139 HydrophobicContact CG2-CG2 3.88Å
129	T	93.5	Very high	94.4	Very high	62 Å²	62	78 Å²	78	38%	0.38	40%	0.4	S	S	.	.	H	α-helix	trans	-109.6	-32.5	-174	64.5	0	0	0	0	114.2	E125 R133	E125-T129 HydrophobicContact CG-CG2 4.11Å; E125-T129 VanDerWaalsContact O-CB 3.28Å; E125-T129 WeakPolarHBondContact O-CB 3.5Å; E125-T129 VanDerWaalsContact O-CG2 3.28Å; E125-T129 WeakPolarHBondContact O-CG2 3.42Å; E125-T129 PolarHBondContact O-N 3.42Å; E125-T129 PolarHBondContact O-OG1 2.9Å; T129-R133 PolarHBondContact O-NE 3.14Å; T129-R133 PolarHBondContact O-NH2 3.35Å
130	M	88.5	Confident	94.4	Very high	115 Å²	115	78.4 Å²	78.4	57%	0.567	40%	0.402	S	S	*	.	S	Bend	trans	-103.8	147.4	-174	-58.7	-161.7	-179.2	0	0	112.7	L126	L126-M130 HydrophobicContact CD2-CE 3.65Å; L126-M130 HydrophobicContact CD2-CG 4.37Å; L126-M130 HydrophobicContact CD2-SD 3.67Å; L126-M130 WeakPolarHBondContact O-CB 3.3Å; L126-M130 PolarHBondContact O-N 3.05Å
131	G	88.4	Confident	94.3	Very high	71 Å²	71	81.5 Å²	81.5	73%	0.732	42%	0.417	S	S	*	.	S	Bend	trans	61.2	-137.9	174.3	0	0	0	0	0	114	R133	G131-R133 PolarHBondContact O-N 3.4Å
132	D	87.9	Confident	94.1	Very high	152 Å²	152	80.2 Å²	80.2	81%	0.813	41%	0.409	S	S	*	.	S	Bend	trans	-75.2	105.2	170.1	-71	-31.8	0	0	0	108.7	Y134	D132-Y134 WeakPolarHBondContact O-CD2 3.42Å; D132-Y134 WeakPolarHBondContact O-CE2 3.45Å
133	R	92.1	Very high	94.1	Very high	184 Å²	184	78.3 Å²	78.3	69%	0.694	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-77.9	126.2	-169.6	-61.6	176.1	-177.1	166.3	1	111.2	T128 T129 G131	T128-R133 WeakPolarHBondContact O-CB 3.28Å; T128-R133 WeakPolarHBondContact O-CD 3.49Å; T128-R133 WeakPolarHBondContact O-CG 3.42Å; T129-R133 PolarHBondContact O-NE 3.14Å; T129-R133 PolarHBondContact O-NH2 3.35Å; G131-R133 PolarHBondContact O-N 3.4Å
134	Y	94.4	Very high	93.9	Very high	101 Å²	101	83.9 Å²	83.9	40%	0.396	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-81.6	150	170.4	-69.9	-102.6	0	0	0	109.9	L127 D132 Q138 L142	L127-Y134 HydrophobicContact CD2-CD2 4.44Å; L127-Y134 PolarHBondContact O-N 3.37Å; D132-Y134 WeakPolarHBondContact O-CD2 3.42Å; D132-Y134 WeakPolarHBondContact O-CE2 3.45Å; Y134-Q138 HydrophobicContact CD1-CB 3.87Å; Y134-L142 HydrophobicContact CD1-CD1 3.83Å; Y134-L142 HydrophobicContact CE1-CD1 3.81Å; Y134-L142 HydrophobicContact CG-CD1 4.48Å
135	T	96.7	Very high	93.5	Very high	68 Å²	68	88.4 Å²	88.4	42%	0.417	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-77.1	160.1	166	78.8	0	0	0	0	110.1	E137 Q138 V139	T135-E137 VanDerWaalsContact CB-OE2 3.31Å; T135-E137 WeakPolarHBondContact CB-OE2 3.36Å; T135-E137 PolarHBondContact O-N 3.37Å; T135-E137 PolarHBondContact OG1-OE2 2.97Å; T135-Q138 WeakPolarHBondContact O-CB 3.44Å; T135-Q138 PolarHBondContact O-N 3.48Å; T135-Q138 PolarHBondContact OG1-N 3.31Å; T135-V139 PolarHBondContact O-N 3.21Å
136	D	95.8	Very high	93.3	Very high	91 Å²	91	83.9 Å²	83.9	49%	0.487	43%	0.432	S	S	.	.	H	α-helix	trans	-55.5	-39.4	176.9	-70	-48.2	0	0	0	111.7	Q138 V139 D140	D136-Q138 VanDerWaalsContact C-N 3.33Å; D136-Q138 PolarHBondContact O-N 3.47Å; D136-V139 PolarHBondContact O-N 3.02Å; D136-D140 VanDerWaalsContact O-CG 3.25Å; D136-D140 PolarHBondContact O-N 3.36Å
137	E	96.5	Very high	93.3	Very high	130 Å²	130	83.9 Å²	83.9	61%	0.607	43%	0.433	S	S	*	.	H	α-helix	trans	-64.5	-37.8	176.4	-58	80.4	-173.7	0	0	112.1	T135 D140 E141	T135-E137 VanDerWaalsContact CB-OE2 3.31Å; T135-E137 WeakPolarHBondContact CB-OE2 3.36Å; T135-E137 PolarHBondContact O-N 3.37Å; T135-E137 PolarHBondContact OG1-OE2 2.97Å; E137-D140 PolarHBondContact O-N 3.14Å; E137-E141 WeakPolarHBondContact O-CG 3.24Å; E137-E141 PolarHBondContact O-N 3.49Å
138	Q	95.1	Very high	93.3	Very high	92 Å²	92	83.6 Å²	83.6	43%	0.43	43%	0.432	S	S	.	.	H	α-helix	trans	-69.6	-36	177.2	-64.8	176.3	-51.7	0	0	111.7	Y134 T135 D136 E141 L142	Y134-Q138 HydrophobicContact CD1-CB 3.87Å; T135-Q138 WeakPolarHBondContact O-CB 3.44Å; T135-Q138 PolarHBondContact O-N 3.48Å; T135-Q138 PolarHBondContact OG1-N 3.31Å; D136-Q138 VanDerWaalsContact C-N 3.33Å; D136-Q138 PolarHBondContact O-N 3.47Å; Q138-E141 PolarHBondContact O-N 3Å; Q138-L142 WeakPolarHBondContact O-CG 3.41Å; Q138-L142 PolarHBondContact O-N 3.15Å
139	V	95.7	Very high	93.3	Very high	0 Å²	0	89.4 Å²	89.4	0%	0	45%	0.454	C	S	.	.	H	α-helix	trans	-66.6	-41.3	173.9	179.8	0	0	0	0	110.7	R124 L127 T128 T135 D136 E141 L142 F143	R124-V139 HydrophobicContact CB-CG1 4.22Å; R124-V139 HydrophobicContact CG-CG1 4.07Å; L127-V139 HydrophobicContact CB-CG2 3.93Å; L127-V139 HydrophobicContact CD1-CG1 4.18Å; L127-V139 HydrophobicContact CD1-CG2 4.34Å; T128-V139 HydrophobicContact CG2-CG2 3.88Å; T135-V139 PolarHBondContact O-N 3.21Å; D136-V139 PolarHBondContact O-N 3.02Å; V139-E141 VanDerWaalsContact C-N 3.31Å; V139-E141 PolarHBondContact O-N 3.25Å; V139-L142 WeakPolarHBondContact O-CB 3.39Å; V139-L142 PolarHBondContact O-N 3.33Å; V139-L142 VanDerWaalsContact O-N 3.15Å; V139-F143 HydrophobicContact CG1-CD1 4Å; V139-F143 HydrophobicContact CG1-CD2 4.1Å; V139-F143 HydrophobicContact CG1-CE1 3.71Å; V139-F143 HydrophobicContact CG1-CE2 3.79Å; V139-F143 HydrophobicContact CG1-CG 4.2Å; V139-F143 HydrophobicContact CG1-CZ 3.59Å; V139-F143 WeakPolarHBondContact O-CB 3.23Å; V139-F143 WeakPolarHBondContact O-CG 3.48Å; V139-F143 PolarHBondContact O-N 3.03Å
140	D	95.4	Very high	93.3	Very high	75 Å²	75	93.6 Å²	93.6	40%	0.401	47%	0.474	S	S	.	.	H	α-helix	trans	-59.3	-42.8	175.2	-70.6	-12.6	0	0	0	111.7	R124 D136 E137 F143 K144	R124-D140 IonicContact CZ-OD1 3.17Å; R124-D140 IonicContact NH1-OD1 2.77Å; R124-D140 PolarHBondContact NH1-OD1 2.95Å; R124-D140 IonicContact NH2-OD1 2.91Å; R124-D140 PolarHBondContact NH2-OD1 2.85Å; D136-D140 VanDerWaalsContact O-CG 3.25Å; D136-D140 PolarHBondContact O-N 3.36Å; E137-D140 PolarHBondContact O-N 3.14Å; D140-F143 PolarHBondContact O-N 2.86Å; D140-K144 WeakPolarHBondContact O-CG 3.45Å; D140-K144 PolarHBondContact O-N 3.46Å
141	E	95	Very high	93.6	Very high	115 Å²	115	89.2 Å²	89.2	54%	0.537	46%	0.458	S	S	.	.	H	α-helix	trans	-63.7	-42.1	174.1	-68.6	-56.8	141.5	0	0	112.1	E137 Q138 V139 F143 K144	E137-E141 WeakPolarHBondContact O-CG 3.24Å; E137-E141 PolarHBondContact O-N 3.49Å; Q138-E141 PolarHBondContact O-N 3Å; V139-E141 VanDerWaalsContact C-N 3.31Å; V139-E141 PolarHBondContact O-N 3.25Å; E141-F143 VanDerWaalsContact C-N 3.29Å; E141-F143 PolarHBondContact O-N 2.75Å; E141-K144 PolarHBondContact O-N 2.8Å; E141-K144 IonicContact OE1-NZ 2.79Å; E141-K144 PolarHBondContact OE1-NZ 3.47Å; E141-K144 IonicContact OE2-NZ 3.57Å; E141-K144 PolarHBondContact OE2-NZ 3.13Å
142	L	91.9	Very high	94	Very high	87 Å²	87	89.1 Å²	89.1	46%	0.455	44%	0.439	S	S	.	.	H	α-helix	trans	-63	-35.5	176.7	-74.2	172.5	0	0	0	112.6	Y134 Q138 V139	Y134-L142 HydrophobicContact CD1-CD1 3.83Å; Y134-L142 HydrophobicContact CE1-CD1 3.81Å; Y134-L142 HydrophobicContact CG-CD1 4.48Å; Q138-L142 WeakPolarHBondContact O-CG 3.41Å; Q138-L142 PolarHBondContact O-N 3.15Å; V139-L142 WeakPolarHBondContact O-CB 3.39Å; V139-L142 PolarHBondContact O-N 3.33Å; V139-L142 VanDerWaalsContact O-N 3.15Å
143	F	94.4	Very high	94.5	Very high	23 Å²	23	82.2 Å²	82.2	10%	0.101	40%	0.402	C	S	.	.	H	α-helix	trans	-79.3	-16.6	-174.6	-77.2	12.1	0	0	0	113.5	E120 L123 R124 L127 V139 D140 E141 D145 A146 I148	E120-F143 HydrophobicContact CG-CD2 3.81Å; E120-F143 HydrophobicContact CG-CE2 3.44Å; E120-F143 VanDerWaalsContact CG-CE2 3.44Å; E120-F143 HydrophobicContact CG-CZ 4.45Å; E120-F143 WeakPolarHBondContact OE1-CD2 3.4Å; L123-F143 HydrophobicContact CB-CZ 4.14Å; L123-F143 HydrophobicContact CD2-CE1 3.84Å; L123-F143 HydrophobicContact CD2-CZ 3.84Å; L123-F143 HydrophobicContact CG-CE1 4.15Å; L123-F143 HydrophobicContact CG-CZ 3.88Å; R124-F143 HydrophobicContact CB-CE2 4.21Å; R124-F143 HydrophobicContact CB-CZ 4.34Å; L127-F143 HydrophobicContact CD1-CE1 3.8Å; L127-F143 HydrophobicContact CD1-CZ 4.2Å; V139-F143 HydrophobicContact CG1-CD1 4Å; V139-F143 HydrophobicContact CG1-CD2 4.1Å; V139-F143 HydrophobicContact CG1-CE1 3.71Å; V139-F143 HydrophobicContact CG1-CE2 3.79Å; V139-F143 HydrophobicContact CG1-CG 4.2Å; V139-F143 HydrophobicContact CG1-CZ 3.59Å; V139-F143 WeakPolarHBondContact O-CB 3.23Å; V139-F143 WeakPolarHBondContact O-CG 3.48Å; V139-F143 PolarHBondContact O-N 3.03Å; D140-F143 PolarHBondContact O-N 2.86Å; E141-F143 VanDerWaalsContact C-N 3.29Å; E141-F143 PolarHBondContact O-N 2.75Å; F143-D145 VanDerWaalsContact C-N 3.3Å; F143-D145 PolarHBondContact O-N 2.84Å; F143-A146 PolarHBondContact O-N 3.17Å; F143-I148 HydrophobicContact CB-CD1 3.88Å; F143-I148 HydrophobicContact CD1-CD1 3.79Å; F143-I148 HydrophobicContact CD2-CD1 3.58Å; F143-I148 HydrophobicContact CE1-CD1 4.19Å; F143-I148 HydrophobicContact CE2-CD1 4.02Å; F143-I148 HydrophobicContact CG-CD1 3.47Å; F143-I148 VanDerWaalsContact CG-CD1 3.47Å; F143-I148 HydrophobicContact CZ-CD1 4.3Å
144	K	92.5	Very high	94.7	Very high	131 Å²	131	75.3 Å²	75.3	57%	0.57	38%	0.379	S	S	*	.	H	α-helix	trans	-58.6	-40.8	177.6	-76.5	176.4	-170.3	170.8	0	113.3	D140 E141	D140-K144 WeakPolarHBondContact O-CG 3.45Å; D140-K144 PolarHBondContact O-N 3.46Å; E141-K144 PolarHBondContact O-N 2.8Å; E141-K144 IonicContact OE1-NZ 2.79Å; E141-K144 PolarHBondContact OE1-NZ 3.47Å; E141-K144 IonicContact OE2-NZ 3.57Å; E141-K144 PolarHBondContact OE2-NZ 3.13Å
145	D	88.1	Confident	94.7	Very high	145 Å²	145	70.7 Å²	70.7	78%	0.775	36%	0.361	S	S	*	.	S	Bend	trans	-105	2.8	-176.8	-58	-40.4	0	0	0	112.2	F143	F143-D145 VanDerWaalsContact C-N 3.3Å; F143-D145 PolarHBondContact O-N 2.84Å
146	A	92.1	Very high	94.5	Very high	19 Å²	19	68.5 Å²	68.5	16%	0.157	35%	0.352	C	S	.	.	S	Bend	trans	-78.9	146.3	178.9	0	0	0	0	0	110.8	F143 I148 F153	F143-A146 PolarHBondContact O-N 3.17Å; A146-I148 HydrophobicContact CB-CD1 3.84Å; A146-I148 HydrophobicContact CB-CG1 3.89Å; A146-I148 PolarHBondContact O-N 2.95Å; A146-F153 HydrophobicContact CB-CD2 4.32Å; A146-F153 HydrophobicContact CB-CE2 4.14Å
147	P	94.6	Very high	94.3	Very high	21 Å²	21	68.2 Å²	68.2	14%	0.136	35%	0.347	C	S	.	.			trans	-74.2	70.1	175	32.4	-37.4	0	0	0	110.9	F153 N154 E157 F158	P147-F153 HydrophobicContact CG-CD2 4.42Å; P147-F153 HydrophobicContact CG-CE2 4.12Å; P147-N154 HydrophobicContact CB-CB 4.33Å; P147-N154 VanDerWaalsContact CG-O 3.31Å; P147-N154 WeakPolarHBondContact CG-O 3.32Å; P147-N154 PolarHBondContact O-N 2.83Å; P147-E157 HydrophobicContact CB-CB 3.92Å; P147-E157 VanDerWaalsContact CB-CD 3.47Å; P147-E157 HydrophobicContact CB-CG 3.71Å; P147-E157 HydrophobicContact CG-CB 4.1Å; P147-E157 HydrophobicContact CG-CG 4.2Å; P147-F158 HydrophobicContact CG-CB 3.76Å
148	I	95.2	Very high	94.1	Very high	39 Å²	39	65 Å²	65	20%	0.2	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.5	177.9	-60.1	174.2	0	0	0	108.4	E120 F143 A146 Q152 F153	E120-I148 HydrophobicContact CB-CG2 4.3Å; E120-I148 HydrophobicContact CG-CD1 4.28Å; E120-I148 HydrophobicContact CG-CG2 4.26Å; F143-I148 HydrophobicContact CB-CD1 3.88Å; F143-I148 HydrophobicContact CD1-CD1 3.79Å; F143-I148 HydrophobicContact CD2-CD1 3.58Å; F143-I148 HydrophobicContact CE1-CD1 4.19Å; F143-I148 HydrophobicContact CE2-CD1 4.02Å; F143-I148 HydrophobicContact CG-CD1 3.47Å; F143-I148 VanDerWaalsContact CG-CD1 3.47Å; F143-I148 HydrophobicContact CZ-CD1 4.3Å; A146-I148 HydrophobicContact CB-CD1 3.84Å; A146-I148 HydrophobicContact CB-CG1 3.89Å; A146-I148 PolarHBondContact O-N 2.95Å; I148-Q152 WeakPolarHBondContact CA-O 3.11Å; I148-F153 HydrophobicContact CD1-CD2 4.29Å; I148-F153 HydrophobicContact CG1-CB 3.99Å; I148-F153 HydrophobicContact CG1-CD2 3.71Å; I148-F153 HydrophobicContact CG1-CG 4.34Å
149	K	94.6	Very high	93.8	Very high	156 Å²	156	61.1 Å²	61.1	68%	0.678	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	133.1	175.2	-172.7	176	177.5	177.8	0	109.7	G151 Q152	K149-G151 PolarHBondContact O-N 3.44Å; K149-Q152 PolarHBondContact N-O 3.45Å; K149-Q152 WeakPolarHBondContact O-CB 3.43Å; K149-Q152 PolarHBondContact O-N 2.92Å
150	D	94.5	Very high	93.2	Very high	150 Å²	150	64.2 Å²	64.2	80%	0.802	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	40	179.4	-56.2	-45.4	0	0	0	112.9	Q152	D150-Q152 VanDerWaalsContact C-N 3.26Å; D150-Q152 PolarHBondContact O-N 3.31Å
151	G	95.3	Very high	92.7	Very high	23 Å²	23	62.8 Å²	62.8	24%	0.237	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	18.2	-178.6	0	0	0	0	0	114.5	E120 K149	E120-G151 WeakPolarHBondContact CB-O 3.22Å; E120-G151 PolarHBondContact N-O 3.02Å; K149-G151 PolarHBondContact O-N 3.44Å
152	Q	97.1	Very high	92	Very high	70 Å²	70	61.3 Å²	61.3	33%	0.327	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.3	179.2	-63.1	-68.1	-69.9	0	0	110.2	F117 I148 K149 D150	F117-Q152 HydrophobicContact CB-CB 4.32Å; F117-Q152 HydrophobicContact CD1-CB 4.06Å; F117-Q152 HydrophobicContact CG-CB 4.48Å; I148-Q152 WeakPolarHBondContact CA-O 3.11Å; K149-Q152 PolarHBondContact N-O 3.45Å; K149-Q152 WeakPolarHBondContact O-CB 3.43Å; K149-Q152 PolarHBondContact O-N 2.92Å; D150-Q152 VanDerWaalsContact C-N 3.26Å; D150-Q152 PolarHBondContact O-N 3.31Å
153	F	97	Very high	91.1	Very high	6 Å²	6	64.2 Å²	64.2	3%	0.026	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.1	174.8	173.3	-110.1	0	0	0	111	F107 F117 I118 L123 A146 P147 I148 Y155 F158	F107-F153 HydrophobicContact CD1-CE1 4.08Å; F107-F153 AromaticContact CE1-CE1 3.68Å; F107-F153 HydrophobicContact CE1-CE1 3.68Å; F107-F153 HydrophobicContact CE1-CZ 4.37Å; F107-F153 HydrophobicContact CE2-CE1 4.37Å; F107-F153 AromaticContact CZ-CE1 3.84Å; F107-F153 HydrophobicContact CZ-CE1 3.84Å; F107-F153 HydrophobicContact CZ-CZ 4.13Å; F117-F153 CarbonylContact C-O 3.6Å; F117-F153 VanDerWaalsContact CA-O 3.27Å; F117-F153 WeakPolarHBondContact CA-O 3.42Å; I118-F153 HydrophobicContact CB-CD1 4.47Å; I118-F153 PolarHBondContact N-O 3.02Å; I118-F153 WeakPolarHBondContact O-CB 3.06Å; I118-F153 PolarHBondContact O-N 3.49Å; L123-F153 HydrophobicContact CD2-CB 3.94Å; L123-F153 HydrophobicContact CD2-CD1 3.68Å; L123-F153 HydrophobicContact CD2-CD2 4.02Å; L123-F153 HydrophobicContact CD2-CE1 4.1Å; L123-F153 HydrophobicContact CD2-CE2 4.41Å; L123-F153 HydrophobicContact CD2-CG 3.61Å; L123-F153 HydrophobicContact CD2-CZ 4.44Å; A146-F153 HydrophobicContact CB-CD2 4.32Å; A146-F153 HydrophobicContact CB-CE2 4.14Å; P147-F153 HydrophobicContact CG-CD2 4.42Å; P147-F153 HydrophobicContact CG-CE2 4.12Å; I148-F153 HydrophobicContact CD1-CD2 4.29Å; I148-F153 HydrophobicContact CG1-CB 3.99Å; I148-F153 HydrophobicContact CG1-CD2 3.71Å; I148-F153 HydrophobicContact CG1-CG 4.34Å; F153-Y155 PolarHBondContact O-N 3.09Å; F153-F158 HydrophobicContact CE1-CB 4.47Å; F153-F158 HydrophobicContact CE2-CB 3.96Å; F153-F158 HydrophobicContact CE2-CD2 4.03Å; F153-F158 HydrophobicContact CE2-CG 4.01Å; F153-F158 HydrophobicContact CZ-CB 3.59Å; F153-F158 AromaticContact CZ-CD1 3.87Å; F153-F158 HydrophobicContact CZ-CD1 3.87Å; F153-F158 AromaticContact CZ-CD2 3.93Å; F153-F158 HydrophobicContact CZ-CD2 3.93Å; F153-F158 AromaticContact CZ-CG 3.52Å; F153-F158 HydrophobicContact CZ-CG 3.52Å
154	N	96.2	Very high	89.9	Confident	39 Å²	39	68.3 Å²	68.3	21%	0.209	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	93.2	177.4	-176	-12.7	0	0	0	111	F117 P147 G156 E157 F158	F117-N154 HydrophobicContact CD1-CB 4Å; F117-N154 HydrophobicContact CE1-CB 3.76Å; P147-N154 HydrophobicContact CB-CB 4.33Å; P147-N154 VanDerWaalsContact CG-O 3.31Å; P147-N154 WeakPolarHBondContact CG-O 3.32Å; P147-N154 PolarHBondContact O-N 2.83Å; N154-G156 PolarHBondContact O-N 3.1Å; N154-G156 PolarHBondContact OD1-N 3.47Å; N154-G156 VanDerWaalsContact OD1-N 3.17Å; N154-E157 HydrophobicContact CB-CB 4.03Å; N154-E157 VanDerWaalsContact CG-CB 3.49Å; N154-E157 WeakPolarHBondContact ND2-CB 3.43Å; N154-E157 PolarHBondContact ND2-OE2 3.38Å; N154-E157 PolarHBondContact O-N 2.89Å; N154-E157 PolarHBondContact OD1-N 3.49Å; N154-F158 PolarHBondContact O-N 2.88Å
155	Y	94.6	Very high	88.4	Confident	5 Å²	5	64 Å²	64	2%	0.02	35%	0.35	C	S	.	.	H	α-helix	trans	-71.1	-19.5	-178.2	65.1	-96.9	0	0	0	113.3	R104 F107 Q108 D111 G116 I118 F153 T159	R104-Y155 HydrophobicContact CG-CD2 4.14Å; R104-Y155 HydrophobicContact CG-CE2 4.01Å; F107-Y155 HydrophobicContact CB-CD1 4.05Å; F107-Y155 HydrophobicContact CB-CD2 3.74Å; F107-Y155 HydrophobicContact CB-CE2 4.32Å; F107-Y155 HydrophobicContact CB-CG 3.6Å; F107-Y155 HydrophobicContact CD2-CG 4.4Å; F107-Y155 HydrophobicContact CG-CD2 4.46Å; F107-Y155 HydrophobicContact CG-CG 4.09Å; Q108-Y155 HydrophobicContact CG-CE2 4.01Å; Q108-Y155 WeakPolarHBondContact CG-OH 3.43Å; D111-Y155 HydrophobicContact CB-CE1 4.08Å; D111-Y155 PolarHBondContact OD2-OH 3.26Å; G116-Y155 VanDerWaalsContact CA-CE1 3.45Å; G116-Y155 WeakPolarHBondContact CA-OH 3.27Å; G116-Y155 VanDerWaalsContact O-CD1 3.24Å; G116-Y155 WeakPolarHBondContact O-CD1 3.46Å; G116-Y155 VanDerWaalsContact O-CE1 3.27Å; G116-Y155 WeakPolarHBondContact O-CE1 3.47Å; I118-Y155 HydrophobicContact CD1-CD1 4.08Å; I118-Y155 HydrophobicContact CG1-CD1 4.04Å; I118-Y155 HydrophobicContact CG1-CE1 4.35Å; F153-Y155 PolarHBondContact O-N 3.09Å; Y155-T159 WeakPolarHBondContact O-CB 3.43Å; Y155-T159 WeakPolarHBondContact O-CG2 3.19Å; Y155-T159 PolarHBondContact O-N 3.33Å; Y155-T159 PolarHBondContact O-OG1 2.92Å
156	G	92.2	Very high	86.7	Confident	22 Å²	22	61.9 Å²	61.9	23%	0.227	34%	0.342	C	S	.	.	H	α-helix	trans	-70.5	-40	172.8	0	0	0	0	0	112.6	N154 T159 S160	N154-G156 PolarHBondContact O-N 3.1Å; N154-G156 PolarHBondContact OD1-N 3.47Å; N154-G156 VanDerWaalsContact OD1-N 3.17Å; G156-T159 PolarHBondContact O-OG1 3.45Å; G156-T159 VanDerWaalsContact O-OG1 3.12Å; G156-S160 WeakPolarHBondContact O-CB 3.48Å; G156-S160 PolarHBondContact O-N 2.93Å; G156-S160 VanDerWaalsContact O-N 3.15Å; G156-S160 PolarHBondContact O-OG 3.36Å
157	E	92.3	Very high	84.5	Confident	84 Å²	84	69.1 Å²	69.1	39%	0.393	37%	0.37	S	S	.	.	H	α-helix	trans	-69	-43.7	171.4	-175.9	173	174.8	0	0	110.8	P147 N154 T159 S160 T161	P147-E157 HydrophobicContact CB-CB 3.92Å; P147-E157 VanDerWaalsContact CB-CD 3.47Å; P147-E157 HydrophobicContact CB-CG 3.71Å; P147-E157 HydrophobicContact CG-CB 4.1Å; P147-E157 HydrophobicContact CG-CG 4.2Å; N154-E157 HydrophobicContact CB-CB 4.03Å; N154-E157 VanDerWaalsContact CG-CB 3.49Å; N154-E157 WeakPolarHBondContact ND2-CB 3.43Å; N154-E157 PolarHBondContact ND2-OE2 3.38Å; N154-E157 PolarHBondContact O-N 2.89Å; N154-E157 PolarHBondContact OD1-N 3.49Å; E157-T159 PolarHBondContact O-N 3.26Å; E157-S160 CarbonylContact O-C 3.29Å; E157-S160 WeakPolarHBondContact O-CA 3.4Å; E157-S160 WeakPolarHBondContact O-CB 3.37Å; E157-S160 PolarHBondContact O-N 2.65Å; E157-T161 PolarHBondContact O-N 3.1Å; E157-T161 PolarHBondContact O-OG1 3.4Å
158	F	92.2	Very high	82.1	Confident	62 Å²	62	74.6 Å²	74.6	27%	0.272	40%	0.398	S	S	.	.	H	α-helix	trans	-56.4	-49.1	178	179.9	-106.9	0	0	0	111.9	F107 P147 F153 N154 S160 T161 L162	F107-F158 AromaticContact CE2-CD1 3.8Å; F107-F158 HydrophobicContact CE2-CD1 3.8Å; F107-F158 AromaticContact CE2-CE1 3.96Å; F107-F158 HydrophobicContact CE2-CE1 3.96Å; F107-F158 HydrophobicContact CZ-CD1 4.14Å; F107-F158 HydrophobicContact CZ-CE1 4.08Å; P147-F158 HydrophobicContact CG-CB 3.76Å; F153-F158 HydrophobicContact CE1-CB 4.47Å; F153-F158 HydrophobicContact CE2-CB 3.96Å; F153-F158 HydrophobicContact CE2-CD2 4.03Å; F153-F158 HydrophobicContact CE2-CG 4.01Å; F153-F158 HydrophobicContact CZ-CB 3.59Å; F153-F158 AromaticContact CZ-CD1 3.87Å; F153-F158 HydrophobicContact CZ-CD1 3.87Å; F153-F158 AromaticContact CZ-CD2 3.93Å; F153-F158 HydrophobicContact CZ-CD2 3.93Å; F153-F158 AromaticContact CZ-CG 3.52Å; F153-F158 HydrophobicContact CZ-CG 3.52Å; N154-F158 PolarHBondContact O-N 2.88Å; F158-S160 VanDerWaalsContact C-N 3.3Å; F158-S160 PolarHBondContact O-N 2.92Å; F158-T161 PolarHBondContact O-N 3.45Å; F158-L162 HydrophobicContact CD1-CD1 3.98Å; F158-L162 HydrophobicContact CD1-CG 4.5Å; F158-L162 HydrophobicContact CE1-CD1 3.53Å; F158-L162 HydrophobicContact CE1-CG 4.19Å; F158-L162 HydrophobicContact CZ-CD1 4.01Å; F158-L162 HydrophobicContact CZ-CD2 4.39Å; F158-L162 HydrophobicContact CZ-CG 4.29Å; F158-L162 WeakPolarHBondContact O-CG 3.42Å; F158-L162 PolarHBondContact O-N 2.88Å
159	T	88.3	Confident	79.4	Confident	12 Å²	12	80.6 Å²	80.6	7%	0.074	43%	0.427	C	S	.	.	H	α-helix	trans	-66	-31.2	177	50.5	0	0	0	0	112.6	L100 I103 R104 Y155 G156 E157 K163	L100-T159 WeakPolarHBondContact CD2-O 3.3Å; I103-T159 HydrophobicContact CB-CG2 4.38Å; I103-T159 HydrophobicContact CG2-CG2 3.88Å; R104-T159 HydrophobicContact CB-CG2 4.22Å; Y155-T159 WeakPolarHBondContact O-CB 3.43Å; Y155-T159 WeakPolarHBondContact O-CG2 3.19Å; Y155-T159 PolarHBondContact O-N 3.33Å; Y155-T159 PolarHBondContact O-OG1 2.92Å; G156-T159 PolarHBondContact O-OG1 3.45Å; G156-T159 VanDerWaalsContact O-OG1 3.12Å; E157-T159 PolarHBondContact O-N 3.26Å; T159-K163 PolarHBondContact O-N 3.28Å
160	S	85	Confident	76.5	Confident	65 Å²	65	80.6 Å²	80.6	46%	0.455	44%	0.435	S	S	.	.	H	α-helix	trans	-68.3	-39.3	172.4	-68.7	0	0	0	0	112.7	G156 E157 F158 K163 N164	G156-S160 WeakPolarHBondContact O-CB 3.48Å; G156-S160 PolarHBondContact O-N 2.93Å; G156-S160 VanDerWaalsContact O-N 3.15Å; G156-S160 PolarHBondContact O-OG 3.36Å; E157-S160 CarbonylContact O-C 3.29Å; E157-S160 WeakPolarHBondContact O-CA 3.4Å; E157-S160 WeakPolarHBondContact O-CB 3.37Å; E157-S160 PolarHBondContact O-N 2.65Å; F158-S160 VanDerWaalsContact C-N 3.3Å; F158-S160 PolarHBondContact O-N 2.92Å; S160-K163 WeakPolarHBondContact O-CB 3.46Å; S160-K163 PolarHBondContact O-N 3.13Å; S160-N164 PolarHBondContact O-N 3.45Å
161	T	84.7	Confident	73.6	Confident	45 Å²	45	84.6 Å²	84.6	28%	0.276	46%	0.456	S	S	.	.	H	α-helix	trans	-65.9	-40.7	175.2	-60.7	0	0	0	0	111.2	E157 F158 K163 N164 G165 T166	E157-T161 PolarHBondContact O-N 3.1Å; E157-T161 PolarHBondContact O-OG1 3.4Å; F158-T161 PolarHBondContact O-N 3.45Å; T161-K163 PolarHBondContact O-N 3.01Å; T161-N164 PolarHBondContact O-N 3.18Å; T161-G165 CarbonylContact O-C 3.49Å; T161-G165 VanDerWaalsContact O-CA 3.29Å; T161-G165 WeakPolarHBondContact O-CA 3.45Å; T161-G165 PolarHBondContact O-N 3.14Å; T161-T166 HydrophobicContact CG2-CG2 3.9Å
162	L	79.9	Confident	72.5	Confident	83 Å²	83	87.7 Å²	87.7	44%	0.435	47%	0.467	S	S	.	.	H	α-helix	trans	-59.4	-33.3	172.6	-72.9	178	0	0	0	112.8	L100 I103 F158	L100-L162 HydrophobicContact CD2-CB 4Å; I103-L162 HydrophobicContact CD1-CD1 4.12Å; I103-L162 HydrophobicContact CG2-CD1 4.42Å; F158-L162 HydrophobicContact CD1-CD1 3.98Å; F158-L162 HydrophobicContact CD1-CG 4.5Å; F158-L162 HydrophobicContact CE1-CD1 3.53Å; F158-L162 HydrophobicContact CE1-CG 4.19Å; F158-L162 HydrophobicContact CZ-CD1 4.01Å; F158-L162 HydrophobicContact CZ-CD2 4.39Å; F158-L162 HydrophobicContact CZ-CG 4.29Å; F158-L162 WeakPolarHBondContact O-CG 3.42Å; F158-L162 PolarHBondContact O-N 2.88Å
163	K	72.4	Confident	71.2	Confident	148 Å²	148	88.6 Å²	88.6	64%	0.643	48%	0.475	S	S	*	.	H	α-helix	trans	-72.6	-42.7	179.1	-168.3	178.4	176	178.9	0	113.1	L100 T159 S160 T161	L100-K163 HydrophobicContact CD1-CB 3.52Å; L100-K163 HydrophobicContact CD1-CD 3.66Å; L100-K163 HydrophobicContact CD1-CG 3.55Å; L100-K163 HydrophobicContact CD2-CB 4.47Å; T159-K163 PolarHBondContact O-N 3.28Å; S160-K163 WeakPolarHBondContact O-CB 3.46Å; S160-K163 PolarHBondContact O-N 3.13Å; T161-K163 PolarHBondContact O-N 3.01Å
164	N	69.4	Low	69.8	Low	110 Å²	110	93.2 Å²	93.2	59%	0.588	50%	0.499	S	S	*	.	H	α-helix	trans	-113.4	-1	-163.7	-59.4	-31.6	0	0	0	113.5	S160 T161	S160-N164 PolarHBondContact O-N 3.45Å; T161-N164 PolarHBondContact O-N 3.18Å
165	G	60.3	Low	68.2	Low	40 Å²	40	96.4 Å²	96.4	41%	0.412	52%	0.517	S	S	.	.			trans	75.8	164	-163.7	0	0	0	0	0	111.5	T161 K167	T161-G165 CarbonylContact O-C 3.49Å; T161-G165 VanDerWaalsContact O-CA 3.29Å; T161-G165 WeakPolarHBondContact O-CA 3.45Å; T161-G165 PolarHBondContact O-N 3.14Å; G165-K167 PolarHBondContact O-N 2.95Å
166	T	52.9	Low	66.6	Low	100 Å²	100	102.1 Å²	102.1	61%	0.613	55%	0.548	S	S	*	.			trans	-54	112.9	166.9	18.8	0	0	0	0	107.9	T161 D168	T161-T166 HydrophobicContact CG2-CG2 3.9Å; T166-D168 VanDerWaalsContact C-N 3.26Å; T166-D168 PolarHBondContact O-N 3.43Å
167	K	45.2	Very low	64.9	Low	172 Å²	172	107.5 Å²	107.5	75%	0.748	57%	0.569	S	S	*	*			trans	-64.5	101.8	158.7	-83.7	179.5	172.9	177.3	0	104.5	G165 M169	G165-K167 PolarHBondContact O-N 2.95Å; K167-M169 PolarHBondContact O-N 2.79Å
168	D	45.8	Very low	62.9	Low	136 Å²	136	109.1 Å²	109.1	73%	0.727	58%	0.582	S	S	*	*			trans	-52	105.4	157	-66.2	-37.9	0	0	0	105	T166 D170	T166-D168 VanDerWaalsContact C-N 3.26Å; T166-D168 PolarHBondContact O-N 3.43Å; D168-D170 PolarHBondContact O-N 3.26Å
169	M	38.1	Very low	60.6	Low	164 Å²	164	112.8 Å²	112.8	81%	0.808	61%	0.605	S	S	*	*			trans	-71.2	84.5	167.8	-70.7	-153.2	-116.1	0	0	104.9	K167 D171	K167-M169 PolarHBondContact O-N 2.79Å; M169-D171 VanDerWaalsContact C-N 3.29Å; M169-D171 PolarHBondContact O-N 3.43Å
170	D	32.9	Very low	58.3	Low	157 Å²	157	121.2 Å²	121.2	84%	0.84	65%	0.65	S	S	*	*			trans	-61.1	102.4	154.4	-81.6	-40.5	0	0	0	106.2	D168	D168-D170 PolarHBondContact O-N 3.26Å
171	D	33.5	Very low	55.9	Low	234 Å²	234	126.3 Å²	126.3	100%	1.251	67%	0.667	S	S	*	*			trans	-65.5	0	165.4	-127.8	5	0	0	0	110.6	M169	M169-D171 VanDerWaalsContact C-N 3.29Å; M169-D171 PolarHBondContact O-N 3.43Å

Retrieved 171 of 171 residues in 52.7 ms (Link to these results)

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