M3ZIS9_XIPMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession M3ZIS9, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 172 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.9	Very low	41.1	Very low	248 Å²	248	162.8 Å²	162.8	100%	1.222	89%	0.887	S	S	*	*				0	111.4	0	-66.3	-164.8	177.1	0	0	109
2	S	41	Very low	41.6	Very low	125 Å²	125	166 Å²	166	87%	0.874	89%	0.886	S	S	*	*			trans	-157	98.5	165.5	-146.4	0	0	0	0	108.8
3	S	41	Very low	41.8	Very low	116 Å²	116	168.9 Å²	168.9	81%	0.811	89%	0.886	S	S	*	*			trans	-90.7	114.7	179.6	-176	0	0	0	0	108.8	R5	S3-R5 PolarHBondContact O-N 2.74Å
4	K	43	Very low	41.8	Very low	207 Å²	207	173.6 Å²	173.6	90%	0.9	89%	0.886	S	S	*	*			trans	-82.6	105.3	170.8	-80.3	178.6	177.4	175.1	0	108.7	A6	K4-A6 PolarHBondContact O-N 3.5Å
5	R	41.5	Very low	41.8	Very low	242 Å²	242	170.2 Å²	170.2	91%	0.913	88%	0.88	S	S	*	*			trans	-70.4	115.9	167.4	-104.1	176.6	159.6	-170.1	-5.2	109.7	S3	S3-R5 PolarHBondContact O-N 2.74Å
6	A	41.7	Very low	41.9	Very low	103 Å²	103	171.4 Å²	171.4	85%	0.851	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-75.4	123.4	167.6	0	0	0	0	0	109.8	K4 G8	K4-A6 PolarHBondContact O-N 3.5Å; A6-G8 PolarHBondContact O-N 3.06Å
7	K	43.4	Very low	42.1	Very low	205 Å²	205	174.5 Å²	174.5	89%	0.891	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-75.3	117.2	169.8	-81.9	-178.3	175.1	178.8	0	108.7	K9	K7-K9 PolarHBondContact O-N 3.12Å
8	G	36.3	Very low	42.3	Very low	75 Å²	75	169.3 Å²	169.3	77%	0.773	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-63.4	124	170.4	0	0	0	0	0	110.8	A6 T10	A6-G8 PolarHBondContact O-N 3.06Å; G8-T10 PolarHBondContact O-N 3.29Å
9	K	40.9	Very low	42.5	Very low	203 Å²	203	165.5 Å²	165.5	88%	0.883	85%	0.852	S	S	*	*			trans	-80.2	105.6	165.4	-89.1	179.7	172.7	177.3	0	107.7	K7 T11	K7-K9 PolarHBondContact O-N 3.12Å; K9-T11 PolarHBondContact O-N 3.48Å
10	T	40.4	Very low	42.7	Very low	134 Å²	134	162.3 Å²	162.3	82%	0.822	85%	0.845	S	S	*	*			trans	-74.2	104.4	163.8	39.6	0	0	0	0	108.3	G8 K12	G8-T10 PolarHBondContact O-N 3.29Å; T10-K12 PolarHBondContact O-N 3.3Å; T10-K12 VanDerWaalsContact O-N 3.08Å
11	T	40.8	Very low	43.7	Very low	133 Å²	133	160 Å²	160	82%	0.816	83%	0.834	S	S	*	*			trans	-68.2	99.4	168.9	33.7	0	0	0	0	108.5	K9 K13	K9-T11 PolarHBondContact O-N 3.48Å; T11-K13 PolarHBondContact O-N 2.8Å
12	K	46.8	Very low	44.9	Very low	201 Å²	201	148.9 Å²	148.9	87%	0.874	78%	0.78	S	S	*	*			trans	-56.7	112	165.5	-79.1	-176	175.1	-177.3	0	107.6	T10 R14	T10-K12 PolarHBondContact O-N 3.3Å; T10-K12 VanDerWaalsContact O-N 3.08Å; K12-R14 PolarHBondContact O-N 2.87Å
13	K	44.6	Very low	46.1	Very low	204 Å²	204	147.3 Å²	147.3	89%	0.887	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-56.8	120.5	169.5	-75.9	-174	174.4	-179.4	0	107.3	T11	T11-K13 PolarHBondContact O-N 2.8Å
14	R	41.8	Very low	47.6	Very low	234 Å²	234	144.9 Å²	144.9	88%	0.883	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-59.3	133.9	168.5	-84.3	173.7	147.9	176	-7.7	107.8	K12 Q16	K12-R14 PolarHBondContact O-N 2.87Å; R14-Q16 PolarHBondContact O-N 3.46Å
15	P	42.3	Very low	48.9	Very low	123 Å²	123	139 Å²	139	80%	0.799	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-59.2	130.9	167.8	26	-30.3	0	0	0	107.4	R17	P15-R17 PolarHBondContact O-N 3.04Å
16	Q	43.3	Very low	50.6	Low	190 Å²	190	128.3 Å²	128.3	89%	0.888	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-56.8	124.7	173.9	-80.1	-176.3	-35.5	0	0	107.9	R14 A18	R14-Q16 PolarHBondContact O-N 3.46Å; Q16-A18 PolarHBondContact O-N 2.87Å
17	R	45.4	Very low	52.6	Low	223 Å²	223	127.1 Å²	127.1	84%	0.842	66%	0.661	S	S	*	*			trans	-67.7	87.8	166.7	-85	179.3	162.8	175.9	-7.7	107.7	P15 T19	P15-R17 PolarHBondContact O-N 3.04Å; R17-T19 PolarHBondContact O-N 2.89Å
18	A	45.9	Very low	54.3	Low	82 Å²	82	124.8 Å²	124.8	68%	0.678	65%	0.653	S	S	*	*			trans	-82.7	67.7	155.1	0	0	0	0	0	107.5	Q16	Q16-A18 PolarHBondContact O-N 2.87Å
19	T	44.9	Very low	56.5	Low	96 Å²	96	124.7 Å²	124.7	59%	0.589	64%	0.64	S	S	*	*			trans	-128.9	45.6	166.2	46	0	0	0	0	107.3	R17 N21	R17-T19 PolarHBondContact O-N 2.89Å; T19-N21 PolarHBondContact O-N 2.95Å
20	S	47.4	Very low	58.5	Low	101 Å²	101	118.5 Å²	118.5	71%	0.706	62%	0.615	S	S	*	*	S	Bend	trans	-88.8	89.4	174.5	-58.2	0	0	0	0	107	V22	S20-V22 PolarHBondContact O-N 3.21Å
21	N	62.8	Low	60.7	Low	115 Å²	115	113 Å²	113	62%	0.615	58%	0.58	S	S	*	*			trans	66.1	35.3	157.7	-116.9	14.7	0	0	0	118.3	T19 F23 A24	T19-N21 PolarHBondContact O-N 2.95Å; N21-F23 PolarHBondContact O-N 3.18Å; N21-A24 HydrophobicContact CB-CB 3.87Å; N21-A24 VanDerWaalsContact ND2-CB 3.32Å; N21-A24 WeakPolarHBondContact ND2-CB 3.43Å; N21-A24 WeakPolarHBondContact O-CA 3.33Å; N21-A24 WeakPolarHBondContact O-CB 3.42Å; N21-A24 PolarHBondContact O-N 3.09Å
22	V	66.8	Low	62.9	Low	15 Å²	15	110.9 Å²	110.9	9%	0.091	56%	0.561	C	S	.	*	G	3₁₀ helix	trans	-55.3	-36.3	170.9	70	0	0	0	0	112.4	S20 A24 M25 F26 L87	S20-V22 PolarHBondContact O-N 3.21Å; V22-A24 PolarHBondContact O-N 2.99Å; V22-M25 HydrophobicContact CG2-SD 4.48Å; V22-M25 WeakPolarHBondContact O-CB 3.43Å; V22-M25 PolarHBondContact O-N 3.49Å; V22-M25 VanDerWaalsContact O-N 3.08Å; V22-F26 HydrophobicContact CG2-CE2 4.08Å; V22-F26 WeakPolarHBondContact O-CD2 3.48Å; V22-L87 HydrophobicContact CG1-CB 4.4Å; V22-L87 HydrophobicContact CG2-CB 4.06Å; V22-L87 WeakPolarHBondContact CG2-O 3.33Å
23	F	66.8	Low	64.9	Low	91 Å²	91	107.6 Å²	107.6	40%	0.399	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-66.3	-15.5	174.3	-74.9	-82.5	0	0	0	114.1	N21 I31 F83 T84 L87	N21-F23 PolarHBondContact O-N 3.18Å; F23-I31 HydrophobicContact CD1-CD1 4.05Å; F23-I31 HydrophobicContact CD1-CG1 4.42Å; F23-I31 HydrophobicContact CD1-CG2 4.41Å; F23-I31 HydrophobicContact CE1-CG2 4.31Å; F23-F83 HydrophobicContact CE1-CE1 4.19Å; F23-F83 HydrophobicContact CZ-CE1 4.37Å; F23-T84 HydrophobicContact CE2-CG2 4.32Å; F23-L87 HydrophobicContact CD1-CD1 3.78Å; F23-L87 HydrophobicContact CE1-CD1 3.25Å; F23-L87 HydrophobicContact CE2-CD1 4.23Å; F23-L87 HydrophobicContact CG-CD1 4.47Å; F23-L87 HydrophobicContact CZ-CD1 3.51Å
24	A	71.9	Confident	67	Low	65 Å²	65	99.4 Å²	99.4	54%	0.537	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-90.7	-8.2	174.9	0	0	0	0	0	112.8	N21 V22 F26	N21-A24 HydrophobicContact CB-CB 3.87Å; N21-A24 VanDerWaalsContact ND2-CB 3.32Å; N21-A24 WeakPolarHBondContact ND2-CB 3.43Å; N21-A24 WeakPolarHBondContact O-CA 3.33Å; N21-A24 WeakPolarHBondContact O-CB 3.42Å; N21-A24 PolarHBondContact O-N 3.09Å; V22-A24 PolarHBondContact O-N 2.99Å; A24-F26 VanDerWaalsContact C-N 3.3Å
25	M	70.3	Confident	69.4	Low	84 Å²	84	92.9 Å²	92.9	41%	0.414	49%	0.491	S	S	.	.	S	Bend	trans	-81.7	-14.7	175.1	-63	172.1	176.6	0	0	112.2	V22 N95	V22-M25 HydrophobicContact CG2-SD 4.48Å; V22-M25 WeakPolarHBondContact O-CB 3.43Å; V22-M25 PolarHBondContact O-N 3.49Å; V22-M25 VanDerWaalsContact O-N 3.08Å; M25-N95 WeakPolarHBondContact CE-ND2 3.47Å; M25-N95 PolarHBondContact SD-ND2 2.93Å; M25-N95 PolarHBondContact SD-OD1 3.46Å
26	F	78.6	Confident	71.7	Confident	18 Å²	18	91.9 Å²	91.9	8%	0.079	48%	0.476	C	S	.	.	S	Bend	trans	-123.3	144.6	-175.5	-59	-62.9	0	0	0	110.6	V22 A24 Q30 I31 F34 L87 F90 L94	V22-F26 HydrophobicContact CG2-CE2 4.08Å; V22-F26 WeakPolarHBondContact O-CD2 3.48Å; A24-F26 VanDerWaalsContact C-N 3.3Å; F26-Q30 HydrophobicContact CB-CB 4.12Å; F26-Q30 HydrophobicContact CD1-CB 4.47Å; F26-I31 HydrophobicContact CB-CD1 4.28Å; F26-I31 HydrophobicContact CB-CG1 3.75Å; F26-F34 AromaticContact CD1-CE2 3.73Å; F26-F34 HydrophobicContact CD1-CE2 3.73Å; F26-F34 HydrophobicContact CD2-CE2 4.44Å; F26-F34 AromaticContact CE1-CE2 3.67Å; F26-F34 HydrophobicContact CE1-CE2 3.67Å; F26-F34 HydrophobicContact CE1-CZ 4.1Å; F26-F34 HydrophobicContact CE2-CE2 4.39Å; F26-F34 HydrophobicContact CG-CE2 4.09Å; F26-F34 AromaticContact CZ-CE2 3.98Å; F26-F34 HydrophobicContact CZ-CE2 3.98Å; F26-F34 HydrophobicContact CZ-CZ 4.4Å; F26-L87 HydrophobicContact CD2-CD2 4.33Å; F26-L87 HydrophobicContact CE2-CB 4.48Å; F26-L87 HydrophobicContact CE2-CD2 4.32Å; F26-F90 HydrophobicContact CZ-CB 4.3Å; F26-L94 HydrophobicContact CE1-CD1 3.66Å; F26-L94 HydrophobicContact CZ-CD1 4.16Å
27	D	82	Confident	74	Confident	78 Å²	78	84.4 Å²	84.4	42%	0.417	45%	0.446	S	S	.	.			trans	-75.5	170.1	168.4	68.6	38.4	0	0	0	111.6	S29 Q30 I31	D27-S29 VanDerWaalsContact C-N 3.28Å; D27-S29 VanDerWaalsContact CG-OG 3.25Å; D27-S29 PolarHBondContact O-N 3.04Å; D27-S29 WeakPolarHBondContact OD1-CA 3.28Å; D27-S29 WeakPolarHBondContact OD1-CB 3.46Å; D27-S29 PolarHBondContact OD1-N 2.89Å; D27-S29 PolarHBondContact OD1-OG 2.94Å; D27-Q30 PolarHBondContact O-N 3.34Å; D27-Q30 WeakPolarHBondContact OD1-CB 3.45Å; D27-Q30 VanDerWaalsContact OD1-CG 3.28Å; D27-Q30 WeakPolarHBondContact OD1-CG 3.32Å; D27-Q30 PolarHBondContact OD1-N 3.16Å; D27-I31 WeakPolarHBondContact O-CD1 3.45Å; D27-I31 VanDerWaalsContact O-CG1 3.28Å; D27-I31 WeakPolarHBondContact O-CG1 3.43Å; D27-I31 PolarHBondContact O-N 3.13Å
28	Q	80.9	Confident	76.2	Confident	156 Å²	156	74 Å²	74	73%	0.729	41%	0.408	S	S	*	.	H	α-helix	trans	-64.3	-32.3	-177.8	-73.6	-69.1	-28.4	0	0	112.9	Q32	Q28-Q32 WeakPolarHBondContact O-CB 3.35Å; Q28-Q32 PolarHBondContact O-N 2.76Å
29	S	82.8	Confident	78.4	Confident	72 Å²	72	74.5 Å²	74.5	50%	0.503	40%	0.399	S	S	.	.	H	α-helix	trans	-65.9	-48	176.1	22.7	0	0	0	0	111.3	D27 I31 Q32 E33	D27-S29 VanDerWaalsContact C-N 3.28Å; D27-S29 VanDerWaalsContact CG-OG 3.25Å; D27-S29 PolarHBondContact O-N 3.04Å; D27-S29 WeakPolarHBondContact OD1-CA 3.28Å; D27-S29 WeakPolarHBondContact OD1-CB 3.46Å; D27-S29 PolarHBondContact OD1-N 2.89Å; D27-S29 PolarHBondContact OD1-OG 2.94Å; S29-I31 PolarHBondContact O-N 3.42Å; S29-Q32 WeakPolarHBondContact O-CB 3.08Å; S29-Q32 PolarHBondContact O-N 2.78Å; S29-Q32 VanDerWaalsContact O-N 3.12Å; S29-E33 PolarHBondContact O-N 3.46Å
30	Q	82.3	Confident	80.5	Confident	73 Å²	73	75.9 Å²	75.9	34%	0.341	40%	0.4	S	S	.	.	H	α-helix	trans	-61	-44.5	177.2	-70.9	174.5	-40.8	0	0	111.2	F26 D27 Q32 E33 F34	F26-Q30 HydrophobicContact CB-CB 4.12Å; F26-Q30 HydrophobicContact CD1-CB 4.47Å; D27-Q30 PolarHBondContact O-N 3.34Å; D27-Q30 WeakPolarHBondContact OD1-CB 3.45Å; D27-Q30 VanDerWaalsContact OD1-CG 3.28Å; D27-Q30 WeakPolarHBondContact OD1-CG 3.32Å; D27-Q30 PolarHBondContact OD1-N 3.16Å; Q30-Q32 PolarHBondContact O-N 2.95Å; Q30-E33 PolarHBondContact O-N 3.34Å; Q30-F34 HydrophobicContact CB-CD2 4.45Å; Q30-F34 HydrophobicContact CB-CE2 4.17Å; Q30-F34 WeakPolarHBondContact O-CD2 3.39Å; Q30-F34 WeakPolarHBondContact O-CG 3.25Å; Q30-F34 PolarHBondContact O-N 3.31Å
31	I	86.8	Confident	82.7	Confident	18 Å²	18	72.1 Å²	72.1	9%	0.092	37%	0.371	C	S	.	.	H	α-helix	trans	-59.6	-39.8	176.2	-67	162.4	0	0	0	110.8	F23 F26 D27 S29 K35 F83	F23-I31 HydrophobicContact CD1-CD1 4.05Å; F23-I31 HydrophobicContact CD1-CG1 4.42Å; F23-I31 HydrophobicContact CD1-CG2 4.41Å; F23-I31 HydrophobicContact CE1-CG2 4.31Å; F26-I31 HydrophobicContact CB-CD1 4.28Å; F26-I31 HydrophobicContact CB-CG1 3.75Å; D27-I31 WeakPolarHBondContact O-CD1 3.45Å; D27-I31 VanDerWaalsContact O-CG1 3.28Å; D27-I31 WeakPolarHBondContact O-CG1 3.43Å; D27-I31 PolarHBondContact O-N 3.13Å; S29-I31 PolarHBondContact O-N 3.42Å; I31-K35 WeakPolarHBondContact O-CB 3.5Å; I31-K35 PolarHBondContact O-N 2.92Å; I31-F83 HydrophobicContact CG2-CZ 4.5Å
32	Q	87.3	Confident	84.2	Confident	90 Å²	90	67 Å²	67	42%	0.421	34%	0.344	S	S	.	.	H	α-helix	trans	-68	-43.5	178.3	-176	57.8	38.5	0	0	111.6	Q28 S29 Q30 K35 E36	Q28-Q32 WeakPolarHBondContact O-CB 3.35Å; Q28-Q32 PolarHBondContact O-N 2.76Å; S29-Q32 WeakPolarHBondContact O-CB 3.08Å; S29-Q32 PolarHBondContact O-N 2.78Å; S29-Q32 VanDerWaalsContact O-N 3.12Å; Q30-Q32 PolarHBondContact O-N 2.95Å; Q32-K35 WeakPolarHBondContact O-CB 3.38Å; Q32-K35 PolarHBondContact O-N 3.18Å; Q32-E36 PolarHBondContact NE2-OE1 3.44Å; Q32-E36 WeakPolarHBondContact O-CG 3.45Å; Q32-E36 PolarHBondContact O-N 3.35Å
33	E	87.8	Confident	85.3	Confident	132 Å²	132	70.9 Å²	70.9	62%	0.617	36%	0.361	S	S	*	.	H	α-helix	trans	-59.9	-46.4	173.9	-73.2	178.6	-173.7	0	0	111.7	S29 Q30 K35 E36 A37	S29-E33 PolarHBondContact O-N 3.46Å; Q30-E33 PolarHBondContact O-N 3.34Å; E33-K35 VanDerWaalsContact C-N 3.26Å; E33-K35 PolarHBondContact O-N 3.24Å; E33-E36 PolarHBondContact O-N 2.99Å; E33-A37 WeakPolarHBondContact O-CB 3.22Å; E33-A37 PolarHBondContact O-N 3.45Å
34	F	89.8	Confident	86.5	Confident	31 Å²	31	70.4 Å²	70.4	14%	0.136	36%	0.363	C	S	.	.	H	α-helix	trans	-61.8	-36	175.8	-71.3	-51.8	0	0	0	112.2	F26 Q30 F38 F83 F86 L87 F90 L94	F26-F34 AromaticContact CD1-CE2 3.73Å; F26-F34 HydrophobicContact CD1-CE2 3.73Å; F26-F34 HydrophobicContact CD2-CE2 4.44Å; F26-F34 AromaticContact CE1-CE2 3.67Å; F26-F34 HydrophobicContact CE1-CE2 3.67Å; F26-F34 HydrophobicContact CE1-CZ 4.1Å; F26-F34 HydrophobicContact CE2-CE2 4.39Å; F26-F34 HydrophobicContact CG-CE2 4.09Å; F26-F34 AromaticContact CZ-CE2 3.98Å; F26-F34 HydrophobicContact CZ-CE2 3.98Å; F26-F34 HydrophobicContact CZ-CZ 4.4Å; Q30-F34 HydrophobicContact CB-CD2 4.45Å; Q30-F34 HydrophobicContact CB-CE2 4.17Å; Q30-F34 WeakPolarHBondContact O-CD2 3.39Å; Q30-F34 WeakPolarHBondContact O-CG 3.25Å; Q30-F34 PolarHBondContact O-N 3.31Å; F34-F38 VanDerWaalsContact O-CB 3.28Å; F34-F38 WeakPolarHBondContact O-CB 3.22Å; F34-F38 PolarHBondContact O-N 3.26Å; F34-F83 HydrophobicContact CB-CE2 4.22Å; F34-F83 HydrophobicContact CB-CZ 4.49Å; F34-F86 HydrophobicContact CB-CE1 4.33Å; F34-F86 HydrophobicContact CD1-CE1 4.17Å; F34-L87 HydrophobicContact CB-CD2 3.62Å; F34-L87 HydrophobicContact CD2-CD2 3.49Å; F34-L87 VanDerWaalsContact CD2-CD2 3.49Å; F34-L87 HydrophobicContact CE2-CD2 4.37Å; F34-L87 HydrophobicContact CG-CD2 3.73Å; F34-F90 HydrophobicContact CD1-CD1 4.46Å; F34-F90 HydrophobicContact CD1-CG 4.35Å; F34-F90 HydrophobicContact CE1-CB 4.15Å; F34-F90 AromaticContact CE1-CD1 3.61Å; F34-F90 HydrophobicContact CE1-CD1 3.61Å; F34-F90 HydrophobicContact CE1-CD2 4.42Å; F34-F90 HydrophobicContact CE1-CE1 4.1Å; F34-F90 AromaticContact CE1-CG 3.79Å; F34-F90 HydrophobicContact CE1-CG 3.79Å; F34-F90 HydrophobicContact CZ-CB 4.19Å; F34-F90 HydrophobicContact CZ-CD1 4.17Å; F34-F90 HydrophobicContact CZ-CG 4.3Å; F34-L94 HydrophobicContact CZ-CD1 4.18Å
35	K	90.8	Very high	87.4	Confident	97 Å²	97	77.5 Å²	77.5	42%	0.422	38%	0.376	S	S	.	.	H	α-helix	trans	-67.8	-40.3	177.2	-171.6	177.8	-179.9	-177.7	0	111.7	I31 Q32 E33 F38 N39 F83	I31-K35 WeakPolarHBondContact O-CB 3.5Å; I31-K35 PolarHBondContact O-N 2.92Å; Q32-K35 WeakPolarHBondContact O-CB 3.38Å; Q32-K35 PolarHBondContact O-N 3.18Å; E33-K35 VanDerWaalsContact C-N 3.26Å; E33-K35 PolarHBondContact O-N 3.24Å; K35-F38 PolarHBondContact O-N 2.83Å; K35-N39 WeakPolarHBondContact O-CB 3.21Å; K35-N39 PolarHBondContact O-N 3.46Å; K35-N39 PolarHBondContact O-ND2 3.43Å; K35-N39 VanDerWaalsContact O-ND2 3.09Å; K35-F83 VanDerWaalsContact CA-CE2 3.47Å; K35-F83 HydrophobicContact CB-CE2 3.97Å; K35-F83 HydrophobicContact CB-CZ 3.72Å; K35-F83 HydrophobicContact CG-CE2 4.46Å; K35-F83 HydrophobicContact CG-CZ 4.25Å
36	E	91.4	Very high	88.5	Confident	103 Å²	103	77.8 Å²	77.8	48%	0.481	38%	0.379	S	S	.	.	H	α-helix	trans	-65.5	-45.3	174.9	-73.3	172.6	-161.7	0	0	111.1	Q32 E33 F38 N39 M40	Q32-E36 PolarHBondContact NE2-OE1 3.44Å; Q32-E36 WeakPolarHBondContact O-CG 3.45Å; Q32-E36 PolarHBondContact O-N 3.35Å; E33-E36 PolarHBondContact O-N 2.99Å; E36-F38 PolarHBondContact O-N 3.49Å; E36-N39 PolarHBondContact O-N 2.92Å; E36-M40 WeakPolarHBondContact O-CG 3.29Å; E36-M40 PolarHBondContact O-N 3.17Å
37	A	90.6	Very high	89.2	Confident	32 Å²	32	78.4 Å²	78.4	26%	0.264	39%	0.391	S	S	.	.	H	α-helix	trans	-58.3	-47	173.5	0	0	0	0	0	112.1	E33 N39 M40 I41	E33-A37 WeakPolarHBondContact O-CB 3.22Å; E33-A37 PolarHBondContact O-N 3.45Å; A37-N39 PolarHBondContact O-N 2.89Å; A37-M40 HydrophobicContact CB-CE 4.49Å; A37-M40 WeakPolarHBondContact O-CB 3.34Å; A37-M40 PolarHBondContact O-N 3.02Å; A37-M40 VanDerWaalsContact O-N 3.12Å; A37-I41 WeakPolarHBondContact O-CG1 3.19Å; A37-I41 PolarHBondContact O-N 3.03Å; A37-I41 VanDerWaalsContact O-N 3.17Å
38	F	92.9	Very high	89.8	Confident	6 Å²	6	79.1 Å²	79.1	3%	0.026	39%	0.39	C	S	.	.	H	α-helix	trans	-60	-44.7	177.7	-173.3	-88.1	0	0	0	111.8	F34 K35 E36 M40 I41 D42 V49 F83 F86	F34-F38 VanDerWaalsContact O-CB 3.28Å; F34-F38 WeakPolarHBondContact O-CB 3.22Å; F34-F38 PolarHBondContact O-N 3.26Å; K35-F38 PolarHBondContact O-N 2.83Å; E36-F38 PolarHBondContact O-N 3.49Å; F38-M40 PolarHBondContact O-N 3.23Å; F38-I41 PolarHBondContact O-N 2.89Å; F38-D42 HydrophobicContact CD1-CB 4.25Å; F38-D42 HydrophobicContact CE1-CB 3.92Å; F38-D42 WeakPolarHBondContact O-CB 3.35Å; F38-D42 PolarHBondContact O-N 2.83Å; F38-V49 HydrophobicContact CD2-CG2 4.08Å; F38-V49 HydrophobicContact CE2-CG2 3.54Å; F38-V49 HydrophobicContact CZ-CG2 3.86Å; F38-F83 HydrophobicContact CB-CD2 3.72Å; F38-F83 HydrophobicContact CB-CE2 4.1Å; F38-F83 HydrophobicContact CD1-CB 4.3Å; F38-F83 HydrophobicContact CD1-CD2 4.19Å; F38-F83 HydrophobicContact CD2-CB 4.4Å; F38-F83 AromaticContact CD2-CD2 4Å; F38-F83 HydrophobicContact CD2-CD2 4Å; F38-F83 HydrophobicContact CE1-CB 4.26Å; F38-F83 HydrophobicContact CE2-CB 4.33Å; F38-F83 HydrophobicContact CG-CB 4.38Å; F38-F83 AromaticContact CG-CD2 3.69Å; F38-F83 HydrophobicContact CG-CD2 3.69Å; F38-F83 HydrophobicContact CG-CG 4.5Å; F38-F83 HydrophobicContact CZ-CB 4.27Å; F38-F86 HydrophobicContact CB-CD1 4.45Å; F38-F86 HydrophobicContact CB-CE1 4.44Å; F38-F86 HydrophobicContact CD2-CB 3.86Å; F38-F86 HydrophobicContact CD2-CD1 4.1Å; F38-F86 HydrophobicContact CD2-CD2 4.03Å; F38-F86 AromaticContact CD2-CG 3.75Å; F38-F86 HydrophobicContact CD2-CG 3.75Å; F38-F86 HydrophobicContact CE2-CB 4.09Å; F38-F86 HydrophobicContact CE2-CG 4.39Å
39	N	91.6	Very high	90.4	Very high	92 Å²	92	72.1 Å²	72.1	49%	0.492	36%	0.358	S	S	.	.	H	α-helix	trans	-66.6	-22.2	177.7	-68.7	-28	0	0	0	113.7	K35 E36 A37	K35-N39 WeakPolarHBondContact O-CB 3.21Å; K35-N39 PolarHBondContact O-N 3.46Å; K35-N39 PolarHBondContact O-ND2 3.43Å; K35-N39 VanDerWaalsContact O-ND2 3.09Å; E36-N39 PolarHBondContact O-N 2.92Å; A37-N39 PolarHBondContact O-N 2.89Å
40	M	90.1	Very high	90.9	Very high	125 Å²	125	70.9 Å²	70.9	62%	0.616	35%	0.346	S	S	*	.	H	α-helix	trans	-78.8	-24.7	172	-72.3	-172.6	-69.4	0	0	112.1	E36 A37 F38 Q43	E36-M40 WeakPolarHBondContact O-CG 3.29Å; E36-M40 PolarHBondContact O-N 3.17Å; A37-M40 HydrophobicContact CB-CE 4.49Å; A37-M40 WeakPolarHBondContact O-CB 3.34Å; A37-M40 PolarHBondContact O-N 3.02Å; A37-M40 VanDerWaalsContact O-N 3.12Å; F38-M40 PolarHBondContact O-N 3.23Å; M40-Q43 PolarHBondContact O-NE2 2.9Å
41	I	93.1	Very high	91.5	Very high	21 Å²	21	70.4 Å²	70.4	11%	0.108	34%	0.343	C	S	.	.	H	α-helix	trans	-85.3	-49.1	177.6	-60	163.4	0	0	0	110	A37 F38 Q43 V49 D53 L54 M57 F86	A37-I41 WeakPolarHBondContact O-CG1 3.19Å; A37-I41 PolarHBondContact O-N 3.03Å; A37-I41 VanDerWaalsContact O-N 3.17Å; F38-I41 PolarHBondContact O-N 2.89Å; I41-Q43 VanDerWaalsContact C-N 3.31Å; I41-Q43 PolarHBondContact O-N 3.12Å; I41-V49 HydrophobicContact CB-CG2 4.19Å; I41-V49 HydrophobicContact CG2-CB 4.25Å; I41-V49 HydrophobicContact CG2-CG1 3.53Å; I41-V49 HydrophobicContact CG2-CG2 3.67Å; I41-D53 WeakPolarHBondContact O-CB 3.47Å; I41-L54 HydrophobicContact CG2-CD2 3.82Å; I41-M57 HydrophobicContact CG1-CE 4.42Å; I41-M57 HydrophobicContact CG1-CG 4.31Å; I41-F86 HydrophobicContact CD1-CE2 3.99Å; I41-F86 HydrophobicContact CD1-CZ 4.18Å
42	D	94.4	Very high	91.8	Very high	7 Å²	7	76.1 Å²	76.1	4%	0.037	37%	0.369	C	S	.	.			trans	-69.4	80.9	178.1	178.8	7.8	0	0	0	110.8	F38 N44 R45 D46 G47	F38-D42 HydrophobicContact CD1-CB 4.25Å; F38-D42 HydrophobicContact CE1-CB 3.92Å; F38-D42 WeakPolarHBondContact O-CB 3.35Å; F38-D42 PolarHBondContact O-N 2.83Å; D42-N44 PolarHBondContact OD1-OD1 3.33Å; D42-R45 PolarHBondContact O-N 3.46Å; D42-R45 WeakPolarHBondContact OD1-CA 3.35Å; D42-R45 PolarHBondContact OD1-N 2.88Å; D42-R45 WeakPolarHBondContact OD2-CA 3.39Å; D42-D46 PolarHBondContact OD1-N 2.89Å; D42-D46 VanDerWaalsContact OD1-N 3.16Å; D42-G47 VanDerWaalsContact OD2-CA 3.28Å; D42-G47 WeakPolarHBondContact OD2-CA 3.47Å; D42-G47 PolarHBondContact OD2-N 3.46Å
43	Q	90	Very high	92.1	Very high	97 Å²	97	72 Å²	72	45%	0.453	35%	0.35	S	S	.	.	S	Bend	trans	-69	-38.5	-175	-70	-65.4	-39.7	0	0	110.9	M40 I41 R45 D53 D56	M40-Q43 PolarHBondContact O-NE2 2.9Å; I41-Q43 VanDerWaalsContact C-N 3.31Å; I41-Q43 PolarHBondContact O-N 3.12Å; Q43-R45 VanDerWaalsContact C-N 3.32Å; Q43-D53 PolarHBondContact N-OD1 3.03Å; Q43-D56 HydrophobicContact CG-CB 4.32Å
44	N	91.3	Very high	92.3	Very high	81 Å²	81	66.7 Å²	66.7	43%	0.433	33%	0.326	S	S	.	.	S	Bend	trans	-80.5	-13.8	-178.2	74	27	0	0	0	113.1	D42 D46 D53	D42-N44 PolarHBondContact OD1-OD1 3.33Å; N44-D46 VanDerWaalsContact C-N 3.33Å; N44-D46 VanDerWaalsContact OD1-CB 3.25Å; N44-D46 WeakPolarHBondContact OD1-CB 3.37Å; N44-D46 PolarHBondContact OD1-N 3.26Å; N44-D46 PolarHBondContact OD1-OD1 2.97Å; N44-D53 PolarHBondContact N-OD1 3.01Å
45	R	91.6	Very high	92.4	Very high	214 Å²	214	68.1 Å²	68.1	81%	0.808	33%	0.333	S	S	*	.			trans	61.9	33.7	178.4	-56.4	-176.1	179.2	-174.1	-0.7	113.9	D42 Q43 G47	D42-R45 PolarHBondContact O-N 3.46Å; D42-R45 WeakPolarHBondContact OD1-CA 3.35Å; D42-R45 PolarHBondContact OD1-N 2.88Å; D42-R45 WeakPolarHBondContact OD2-CA 3.39Å; Q43-R45 VanDerWaalsContact C-N 3.32Å; R45-G47 VanDerWaalsContact C-N 3.29Å
46	D	93.4	Very high	92.4	Very high	90 Å²	90	67.3 Å²	67.3	48%	0.481	33%	0.333	S	S	.	.	S	Bend	trans	-85.3	-6.2	177.5	84.6	0.2	0	0	0	113.1	D42 N44 F48	D42-D46 PolarHBondContact OD1-N 2.89Å; D42-D46 VanDerWaalsContact OD1-N 3.16Å; N44-D46 VanDerWaalsContact C-N 3.33Å; N44-D46 VanDerWaalsContact OD1-CB 3.25Å; N44-D46 WeakPolarHBondContact OD1-CB 3.37Å; N44-D46 PolarHBondContact OD1-N 3.26Å; N44-D46 PolarHBondContact OD1-OD1 2.97Å; D46-F48 WeakPolarHBondContact OD1-CA 3.39Å; D46-F48 WeakPolarHBondContact OD1-CB 3.44Å; D46-F48 PolarHBondContact OD1-N 3.33Å
47	G	92.9	Very high	92.4	Very high	32 Å²	32	64.9 Å²	64.9	33%	0.33	32%	0.322	S	S	.	.	S	Bend	trans	86.5	7	179.4	0	0	0	0	0	114	D42 R45 N82	D42-G47 VanDerWaalsContact OD2-CA 3.28Å; D42-G47 WeakPolarHBondContact OD2-CA 3.47Å; D42-G47 PolarHBondContact OD2-N 3.46Å; R45-G47 VanDerWaalsContact C-N 3.29Å; G47-N82 WeakPolarHBondContact O-CA 3.37Å
48	F	94.5	Very high	92.4	Very high	92 Å²	92	64.7 Å²	64.7	40%	0.404	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	151	173.6	-60.7	-94	0	0	0	109.4	D46 P80 I81 N82	D46-F48 WeakPolarHBondContact OD1-CA 3.39Å; D46-F48 WeakPolarHBondContact OD1-CB 3.44Å; D46-F48 PolarHBondContact OD1-N 3.33Å; F48-P80 HydrophobicContact CD1-CB 3.99Å; F48-P80 HydrophobicContact CE1-CB 4.12Å; F48-I81 CarbonylContact C-O 3.53Å; F48-I81 WeakPolarHBondContact CA-O 3.44Å; F48-N82 HydrophobicContact CD1-CB 3.82Å; F48-N82 HydrophobicContact CE1-CB 3.75Å; F48-N82 HydrophobicContact CZ-CB 4.44Å
49	V	93.9	Very high	92.2	Very high	9 Å²	9	66.5 Å²	66.5	6%	0.055	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.1	169.7	171.9	0	0	0	0	107.5	F38 I41 D53 L54 M74 I81	F38-V49 HydrophobicContact CD2-CG2 4.08Å; F38-V49 HydrophobicContact CE2-CG2 3.54Å; F38-V49 HydrophobicContact CZ-CG2 3.86Å; I41-V49 HydrophobicContact CB-CG2 4.19Å; I41-V49 HydrophobicContact CG2-CB 4.25Å; I41-V49 HydrophobicContact CG2-CG1 3.53Å; I41-V49 HydrophobicContact CG2-CG2 3.67Å; V49-D53 HydrophobicContact CG1-CB 4.36Å; V49-L54 HydrophobicContact CG1-CD2 3.92Å; V49-L54 HydrophobicContact CG1-CG 3.85Å; V49-M74 WeakPolarHBondContact O-CE 3.4Å; V49-I81 HydrophobicContact CB-CB 4.14Å; V49-I81 HydrophobicContact CB-CG2 4.05Å; V49-I81 HydrophobicContact CG2-CG2 4.49Å; V49-I81 PolarHBondContact N-O 2.85Å
50	D	93.7	Very high	92	Very high	46 Å²	46	66.7 Å²	66.7	25%	0.246	34%	0.341	C	S	.	.			trans	-113.6	-175.1	172.8	71	29.1	0	0	0	112.9	E52 D53 L54	D50-E52 VanDerWaalsContact C-N 3.28Å; D50-E52 PolarHBondContact O-N 3.09Å; D50-E52 WeakPolarHBondContact OD1-CA 2.99Å; D50-E52 WeakPolarHBondContact OD1-CB 3.39Å; D50-E52 PolarHBondContact OD1-N 2.84Å; D50-D53 PolarHBondContact N-OD2 3.36Å; D50-D53 VanDerWaalsContact N-OD2 3.09Å; D50-D53 PolarHBondContact OD1-N 2.76Å; D50-L54 PolarHBondContact O-N 3.37Å
51	K	93.3	Very high	91.8	Very high	63 Å²	63	66.4 Å²	66.4	27%	0.274	34%	0.342	S	S	.	.	H	α-helix	trans	-66.3	-32.6	-179	-179.5	173.5	172.1	180	0	112	H55 D67 L70 M74	K51-H55 WeakPolarHBondContact O-CB 3.48Å; K51-H55 PolarHBondContact O-N 3.07Å; K51-D67 IonicContact NZ-OD2 3.96Å; K51-D67 PolarHBondContact NZ-OD2 2.86Å; K51-L70 HydrophobicContact CD-CB 4.42Å; K51-L70 HydrophobicContact CG-CB 4.01Å; K51-L70 HydrophobicContact CG-CD1 4.17Å; K51-M74 HydrophobicContact CB-CG 4.38Å
52	E	92.6	Very high	91.6	Very high	139 Å²	139	68.8 Å²	68.8	65%	0.65	37%	0.371	S	S	*	.	H	α-helix	trans	-74.4	-42.1	-177.4	-66.5	158.6	-172.7	0	0	109.4	D50 L54 H55 D56	D50-E52 VanDerWaalsContact C-N 3.28Å; D50-E52 PolarHBondContact O-N 3.09Å; D50-E52 WeakPolarHBondContact OD1-CA 2.99Å; D50-E52 WeakPolarHBondContact OD1-CB 3.39Å; D50-E52 PolarHBondContact OD1-N 2.84Å; E52-L54 PolarHBondContact O-N 2.61Å; E52-H55 WeakPolarHBondContact O-CB 3.28Å; E52-H55 PolarHBondContact O-N 3.14Å; E52-D56 WeakPolarHBondContact O-CB 3.43Å; E52-D56 PolarHBondContact O-N 2.95Å
53	D	94.3	Very high	91.2	Very high	4 Å²	4	75.2 Å²	75.2	2%	0.021	40%	0.399	C	S	.	.	H	α-helix	trans	-56.4	-48	171.7	-71.8	-46.1	0	0	0	112.6	I41 Q43 N44 V49 D50 D56 M57	I41-D53 WeakPolarHBondContact O-CB 3.47Å; Q43-D53 PolarHBondContact N-OD1 3.03Å; N44-D53 PolarHBondContact N-OD1 3.01Å; V49-D53 HydrophobicContact CG1-CB 4.36Å; D50-D53 PolarHBondContact N-OD2 3.36Å; D50-D53 VanDerWaalsContact N-OD2 3.09Å; D50-D53 PolarHBondContact OD1-N 2.76Å; D53-D56 PolarHBondContact O-N 2.77Å; D53-M57 WeakPolarHBondContact O-CB 3.33Å; D53-M57 PolarHBondContact O-N 3.45Å
54	L	91.6	Very high	91.1	Very high	19 Å²	19	77.6 Å²	77.6	10%	0.099	42%	0.415	C	S	.	.	H	α-helix	trans	-65.5	-40.4	177.6	-70.6	178.9	0	0	0	112.3	I41 V49 D50 E52 L58 L70 M73 M74	I41-L54 HydrophobicContact CG2-CD2 3.82Å; V49-L54 HydrophobicContact CG1-CD2 3.92Å; V49-L54 HydrophobicContact CG1-CG 3.85Å; D50-L54 PolarHBondContact O-N 3.37Å; E52-L54 PolarHBondContact O-N 2.61Å; L54-L58 WeakPolarHBondContact O-CB 3.28Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.43Å; L54-L58 PolarHBondContact O-N 2.99Å; L54-L70 HydrophobicContact CB-CD2 3.92Å; L54-M73 HydrophobicContact CD1-CB 4.28Å; L54-M74 HydrophobicContact CD1-CG 4.13Å; L54-M74 HydrophobicContact CD1-SD 3.43Å; L54-M74 WeakPolarHBondContact CD1-SD 3.47Å; L54-M74 HydrophobicContact CG-SD 4.36Å
55	H	92.4	Very high	90.9	Very high	61 Å²	61	74.6 Å²	74.6	28%	0.282	40%	0.4	S	S	.	.	H	α-helix	trans	-59.3	-51	175.9	175.9	-85.2	0	0	0	110.6	K51 E52 M57 L58 A59 L70	K51-H55 WeakPolarHBondContact O-CB 3.48Å; K51-H55 PolarHBondContact O-N 3.07Å; E52-H55 WeakPolarHBondContact O-CB 3.28Å; E52-H55 PolarHBondContact O-N 3.14Å; H55-M57 PolarHBondContact O-N 3.32Å; H55-L58 PolarHBondContact O-N 3.07Å; H55-A59 WeakPolarHBondContact O-CB 3.28Å; H55-A59 PolarHBondContact O-N 3.43Å; H55-L70 HydrophobicContact CB-CD1 3.7Å
56	D	91	Very high	90.9	Very high	80 Å²	80	68.9 Å²	68.9	43%	0.428	39%	0.385	S	S	.	.	H	α-helix	trans	-68.2	-37	-176.1	-72.8	-4.9	0	0	0	112.1	Q43 E52 D53 S60	Q43-D56 HydrophobicContact CG-CB 4.32Å; E52-D56 WeakPolarHBondContact O-CB 3.43Å; E52-D56 PolarHBondContact O-N 2.95Å; D53-D56 PolarHBondContact O-N 2.77Å; D56-S60 WeakPolarHBondContact O-CB 3.36Å; D56-S60 PolarHBondContact O-N 3.49Å; D56-S60 PolarHBondContact O-OG 3.49Å
57	M	91.7	Very high	90.7	Very high	53 Å²	53	69.1 Å²	69.1	26%	0.261	39%	0.386	S	S	.	.	H	α-helix	trans	-62.6	-49.2	173.1	-178.5	-85.9	-170.9	0	0	111.5	I41 D53 H55 S60 L61	I41-M57 HydrophobicContact CG1-CE 4.42Å; I41-M57 HydrophobicContact CG1-CG 4.31Å; D53-M57 WeakPolarHBondContact O-CB 3.33Å; D53-M57 PolarHBondContact O-N 3.45Å; H55-M57 PolarHBondContact O-N 3.32Å; M57-S60 WeakPolarHBondContact O-CB 3.45Å; M57-S60 PolarHBondContact O-N 3.04Å; M57-L61 HydrophobicContact CE-CD1 3.7Å; M57-L61 PolarHBondContact O-N 2.84Å; M57-L61 HydrophobicContact SD-CD1 3.8Å
58	L	89.4	Confident	90.7	Very high	27 Å²	27	73.3 Å²	73.3	14%	0.141	40%	0.401	C	S	.	.	H	α-helix	trans	-67.8	-38.5	179.4	-72.4	171.4	0	0	0	112	L54 H55 S60 L61 G62 K63 P65 Y69 L70 M73	L54-L58 WeakPolarHBondContact O-CB 3.28Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.43Å; L54-L58 PolarHBondContact O-N 2.99Å; H55-L58 PolarHBondContact O-N 3.07Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 3.03Å; L58-L61 CarbonylContact O-C 3.56Å; L58-L61 PolarHBondContact O-N 2.98Å; L58-L61 VanDerWaalsContact O-N 3.13Å; L58-G62 PolarHBondContact O-N 3.07Å; L58-K63 CarbonylContact C-O 3.25Å; L58-K63 VanDerWaalsContact C-O 3.25Å; L58-K63 HydrophobicContact CB-CB 4.32Å; L58-K63 WeakPolarHBondContact O-CB 3.43Å; L58-K63 PolarHBondContact O-N 3.08Å; L58-P65 HydrophobicContact CB-CG 3.8Å; L58-P65 HydrophobicContact CD1-CB 3.87Å; L58-P65 HydrophobicContact CD1-CG 3.75Å; L58-P65 HydrophobicContact CG-CG 4.44Å; L58-Y69 HydrophobicContact CD1-CE1 4.27Å; L58-L70 HydrophobicContact CD1-CD2 3.76Å; L58-M73 HydrophobicContact CD1-SD 4.45Å
59	A	89.4	Confident	90.4	Very high	45 Å²	45	74.9 Å²	74.9	37%	0.372	41%	0.405	S	S	.	.	H	α-helix	trans	-59.9	-40.9	172.6	0	0	0	0	0	111.7	H55 L61 G62 K63	H55-A59 WeakPolarHBondContact O-CB 3.28Å; H55-A59 PolarHBondContact O-N 3.43Å; A59-L61 PolarHBondContact O-N 3.09Å; A59-G62 WeakPolarHBondContact O-CA 3.38Å; A59-G62 PolarHBondContact O-N 3.37Å; A59-K63 WeakPolarHBondContact CA-O 3.46Å; A59-K63 PolarHBondContact N-O 3.2Å
60	S	87.6	Confident	90.3	Very high	95 Å²	95	74.5 Å²	74.5	66%	0.664	40%	0.403	S	S	*	.	H	α-helix	trans	-64.6	-27.8	176	-61.8	0	0	0	0	112.9	D56 M57 L58 G62	D56-S60 WeakPolarHBondContact O-CB 3.36Å; D56-S60 PolarHBondContact O-N 3.49Å; D56-S60 PolarHBondContact O-OG 3.49Å; M57-S60 WeakPolarHBondContact O-CB 3.45Å; M57-S60 PolarHBondContact O-N 3.04Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 3.03Å; S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 3.21Å
61	L	86.6	Confident	90.2	Very high	120 Å²	120	77.1 Å²	77.1	63%	0.628	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	4.6	172.1	-64.3	176.5	0	0	0	113.4	M57 L58 A59 K63	M57-L61 HydrophobicContact CE-CD1 3.7Å; M57-L61 PolarHBondContact O-N 2.84Å; M57-L61 HydrophobicContact SD-CD1 3.8Å; L58-L61 CarbonylContact O-C 3.56Å; L58-L61 PolarHBondContact O-N 2.98Å; L58-L61 VanDerWaalsContact O-N 3.13Å; A59-L61 PolarHBondContact O-N 3.09Å; L61-K63 VanDerWaalsContact C-N 3.29Å; L61-K63 PolarHBondContact O-N 2.85Å
62	G	87.5	Confident	90	Very high	70 Å²	70	76.8 Å²	76.8	72%	0.722	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	12.7	-179.1	0	0	0	0	0	114.2	L58 A59 S60	L58-G62 PolarHBondContact O-N 3.07Å; A59-G62 WeakPolarHBondContact O-CA 3.38Å; A59-G62 PolarHBondContact O-N 3.37Å; S60-G62 VanDerWaalsContact C-N 3.26Å; S60-G62 PolarHBondContact O-N 3.21Å
63	K	86.4	Confident	89.8	Confident	143 Å²	143	73 Å²	73	62%	0.622	41%	0.406	S	S	*	.			trans	-93.2	139.2	171.3	-61.2	-67.2	-175.5	176.3	0	108.8	L58 A59 L61 P65	L58-K63 CarbonylContact C-O 3.25Å; L58-K63 VanDerWaalsContact C-O 3.25Å; L58-K63 HydrophobicContact CB-CB 4.32Å; L58-K63 WeakPolarHBondContact O-CB 3.43Å; L58-K63 PolarHBondContact O-N 3.08Å; A59-K63 WeakPolarHBondContact CA-O 3.46Å; A59-K63 PolarHBondContact N-O 3.2Å; L61-K63 VanDerWaalsContact C-N 3.29Å; L61-K63 PolarHBondContact O-N 2.85Å; K63-P65 WeakPolarHBondContact O-CD 3.48Å
64	N	87.6	Confident	89.6	Confident	147 Å²	147	74.9 Å²	74.9	79%	0.786	42%	0.415	S	S	*	.			trans	-111.2	82.2	173.9	-166.1	34.7	0	0	0	109
65	P	87.3	Confident	89.5	Confident	18 Å²	18	79.5 Å²	79.5	12%	0.117	44%	0.439	C	S	.	.			trans	-67	146.4	-178.8	31.7	-37.4	0	0	0	110.4	L58 K63 Y69 L70	L58-P65 HydrophobicContact CB-CG 3.8Å; L58-P65 HydrophobicContact CD1-CB 3.87Å; L58-P65 HydrophobicContact CD1-CG 3.75Å; L58-P65 HydrophobicContact CG-CG 4.44Å; K63-P65 WeakPolarHBondContact O-CD 3.48Å; P65-Y69 HydrophobicContact CB-CD1 3.92Å; P65-L70 HydrophobicContact CB-CD1 4.42Å; P65-L70 HydrophobicContact CB-CD2 3.9Å; P65-L70 HydrophobicContact CB-CG 3.98Å; P65-L70 HydrophobicContact CG-CD1 4.1Å; P65-L70 HydrophobicContact CG-CD2 3.91Å; P65-L70 HydrophobicContact CG-CG 4.12Å
66	N	90.9	Very high	89.2	Confident	93 Å²	93	82.4 Å²	82.4	50%	0.497	45%	0.453	S	S	.	.			trans	-86.5	161	170.6	68.7	-5.2	0	0	0	110.8	D68 Y69 L70	N66-D68 VanDerWaalsContact C-N 3.28Å; N66-D68 PolarHBondContact O-N 3.24Å; N66-Y69 PolarHBondContact O-N 3.16Å; N66-Y69 WeakPolarHBondContact OD1-CB 3.47Å; N66-Y69 PolarHBondContact OD1-N 3.22Å; N66-L70 PolarHBondContact O-N 2.81Å
67	D	90.4	Very high	88.9	Confident	96 Å²	96	79.1 Å²	79.1	51%	0.513	44%	0.437	S	S	.	.	H	α-helix	trans	-56.9	-39.6	-178.2	-88.7	43.6	0	0	0	113.8	K51 L70 E71	K51-D67 IonicContact NZ-OD2 3.96Å; K51-D67 PolarHBondContact NZ-OD2 2.86Å; D67-L70 PolarHBondContact O-N 3.41Å; D67-E71 WeakPolarHBondContact O-CB 3.38Å; D67-E71 PolarHBondContact O-N 3.02Å
68	D	92.6	Very high	88.4	Confident	119 Å²	119	81.8 Å²	81.8	64%	0.636	46%	0.459	S	S	*	.	H	α-helix	trans	-65	-39.3	-179.5	-63.3	-25.5	0	0	0	111.8	N66 A72	N66-D68 VanDerWaalsContact C-N 3.28Å; N66-D68 PolarHBondContact O-N 3.24Å; D68-A72 WeakPolarHBondContact O-CB 3.49Å; D68-A72 PolarHBondContact O-N 2.97Å
69	Y	89.3	Confident	88.3	Confident	125 Å²	125	81.9 Å²	81.9	49%	0.49	47%	0.466	S	S	.	.	H	α-helix	trans	-67.1	-44.7	177.3	176	-105.2	0	0	0	111.3	L58 P65 N66 E71 A72 M73	L58-Y69 HydrophobicContact CD1-CE1 4.27Å; P65-Y69 HydrophobicContact CB-CD1 3.92Å; N66-Y69 PolarHBondContact O-N 3.16Å; N66-Y69 WeakPolarHBondContact OD1-CB 3.47Å; N66-Y69 PolarHBondContact OD1-N 3.22Å; Y69-E71 VanDerWaalsContact C-N 3.33Å; Y69-E71 PolarHBondContact O-N 3.38Å; Y69-A72 WeakPolarHBondContact O-CB 3.32Å; Y69-A72 PolarHBondContact O-N 3.49Å; Y69-M73 HydrophobicContact CD1-SD 3.93Å; Y69-M73 HydrophobicContact CE1-CG 4.27Å; Y69-M73 HydrophobicContact CE1-SD 3.34Å; Y69-M73 WeakPolarHBondContact CE1-SD 3.34Å; Y69-M73 WeakPolarHBondContact O-CG 3.36Å; Y69-M73 PolarHBondContact O-N 3.02Å
70	L	91	Very high	88.3	Confident	1 Å²	1	84.3 Å²	84.3	1%	0.005	48%	0.478	C	S	.	.	H	α-helix	trans	-63.4	-41.2	176.6	-66.8	177.5	0	0	0	111.6	K51 L54 H55 L58 P65 N66 D67 A72 M73 M74	K51-L70 HydrophobicContact CD-CB 4.42Å; K51-L70 HydrophobicContact CG-CB 4.01Å; K51-L70 HydrophobicContact CG-CD1 4.17Å; L54-L70 HydrophobicContact CB-CD2 3.92Å; H55-L70 HydrophobicContact CB-CD1 3.7Å; L58-L70 HydrophobicContact CD1-CD2 3.76Å; P65-L70 HydrophobicContact CB-CD1 4.42Å; P65-L70 HydrophobicContact CB-CD2 3.9Å; P65-L70 HydrophobicContact CB-CG 3.98Å; P65-L70 HydrophobicContact CG-CD1 4.1Å; P65-L70 HydrophobicContact CG-CD2 3.91Å; P65-L70 HydrophobicContact CG-CG 4.12Å; N66-L70 PolarHBondContact O-N 2.81Å; D67-L70 PolarHBondContact O-N 3.41Å; L70-A72 VanDerWaalsContact C-N 3.34Å; L70-M73 WeakPolarHBondContact O-CB 3.49Å; L70-M73 PolarHBondContact O-N 3.2Å; L70-M74 VanDerWaalsContact O-CG 3.31Å; L70-M74 WeakPolarHBondContact O-CG 3.47Å; L70-M74 PolarHBondContact O-N 3.47Å
71	E	90.9	Very high	88.5	Confident	102 Å²	102	80.4 Å²	80.4	48%	0.477	45%	0.449	S	S	.	.	H	α-helix	trans	-65.3	-39	176.9	-172.4	166.3	-175.4	0	0	111.5	D67 Y69 M73 M74 N75	D67-E71 WeakPolarHBondContact O-CB 3.38Å; D67-E71 PolarHBondContact O-N 3.02Å; Y69-E71 VanDerWaalsContact C-N 3.33Å; Y69-E71 PolarHBondContact O-N 3.38Å; E71-M73 PolarHBondContact O-N 3.29Å; E71-M74 PolarHBondContact O-N 2.86Å; E71-N75 WeakPolarHBondContact O-CB 2.95Å; E71-N75 PolarHBondContact O-N 3.19Å; E71-N75 PolarHBondContact O-ND2 3.28Å
72	A	90.3	Very high	88.8	Confident	56 Å²	56	77.3 Å²	77.3	46%	0.463	43%	0.434	S	S	.	.	H	α-helix	trans	-60	-44.2	172	0	0	0	0	0	112	D68 Y69 L70 N75 E76	D68-A72 WeakPolarHBondContact O-CB 3.49Å; D68-A72 PolarHBondContact O-N 2.97Å; Y69-A72 WeakPolarHBondContact O-CB 3.32Å; Y69-A72 PolarHBondContact O-N 3.49Å; L70-A72 VanDerWaalsContact C-N 3.34Å; A72-N75 PolarHBondContact O-N 2.98Å; A72-E76 PolarHBondContact O-N 3.48Å
73	M	88.3	Confident	88.9	Confident	59 Å²	59	76 Å²	76	29%	0.291	41%	0.408	S	S	.	.	H	α-helix	trans	-61.6	-45.1	175.7	-68.9	179.2	73.6	0	0	112	L54 L58 Y69 L70 E71 N75 E76	L54-M73 HydrophobicContact CD1-CB 4.28Å; L58-M73 HydrophobicContact CD1-SD 4.45Å; Y69-M73 HydrophobicContact CD1-SD 3.93Å; Y69-M73 HydrophobicContact CE1-CG 4.27Å; Y69-M73 HydrophobicContact CE1-SD 3.34Å; Y69-M73 WeakPolarHBondContact CE1-SD 3.34Å; Y69-M73 WeakPolarHBondContact O-CG 3.36Å; Y69-M73 PolarHBondContact O-N 3.02Å; L70-M73 WeakPolarHBondContact O-CB 3.49Å; L70-M73 PolarHBondContact O-N 3.2Å; E71-M73 PolarHBondContact O-N 3.29Å; M73-N75 VanDerWaalsContact C-N 3.26Å; M73-N75 PolarHBondContact O-N 2.92Å; M73-E76 WeakPolarHBondContact O-CB 3.15Å; M73-E76 PolarHBondContact O-N 3.32Å
74	M	89.9	Confident	89.1	Confident	44 Å²	44	71.8 Å²	71.8	22%	0.217	39%	0.394	C	S	.	.	H	α-helix	trans	-63.8	-33.3	178.1	-69.5	-56	-63.5	0	0	112.3	V49 K51 L54 L70 E71 E76 A77 I81	V49-M74 WeakPolarHBondContact O-CE 3.4Å; K51-M74 HydrophobicContact CB-CG 4.38Å; L54-M74 HydrophobicContact CD1-CG 4.13Å; L54-M74 HydrophobicContact CD1-SD 3.43Å; L54-M74 WeakPolarHBondContact CD1-SD 3.47Å; L54-M74 HydrophobicContact CG-SD 4.36Å; L70-M74 VanDerWaalsContact O-CG 3.31Å; L70-M74 WeakPolarHBondContact O-CG 3.47Å; L70-M74 PolarHBondContact O-N 3.47Å; E71-M74 PolarHBondContact O-N 2.86Å; M74-E76 VanDerWaalsContact C-N 3.29Å; M74-E76 PolarHBondContact O-N 2.92Å; M74-A77 PolarHBondContact O-N 3.34Å; M74-I81 HydrophobicContact CE-CD1 3.76Å; M74-I81 HydrophobicContact CE-CG1 4.42Å; M74-I81 HydrophobicContact SD-CD1 3.87Å
75	N	89.8	Confident	89.1	Confident	115 Å²	115	67 Å²	67	62%	0.615	37%	0.368	S	S	*	.	H	α-helix	trans	-75.6	-12.1	179	-73.9	-32.1	0	0	0	114	E71 A72 M73 A77	E71-N75 WeakPolarHBondContact O-CB 2.95Å; E71-N75 PolarHBondContact O-N 3.19Å; E71-N75 PolarHBondContact O-ND2 3.28Å; A72-N75 PolarHBondContact O-N 2.98Å; M73-N75 VanDerWaalsContact C-N 3.26Å; M73-N75 PolarHBondContact O-N 2.92Å; N75-A77 PolarHBondContact O-N 3.22Å
76	E	85.5	Confident	89.2	Confident	122 Å²	122	67 Å²	67	57%	0.57	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.3	169.4	-68.3	-167	-164.8	0	0	111.6	A72 M73 M74 K93	A72-E76 PolarHBondContact O-N 3.48Å; M73-E76 WeakPolarHBondContact O-CB 3.15Å; M73-E76 PolarHBondContact O-N 3.32Å; M74-E76 VanDerWaalsContact C-N 3.29Å; M74-E76 PolarHBondContact O-N 2.92Å; E76-K93 IonicContact OE2-NZ 3.99Å; E76-K93 PolarHBondContact OE2-NZ 2.89Å
77	A	85	Confident	89	Confident	12 Å²	12	62.6 Å²	62.6	10%	0.099	34%	0.343	C	S	.	.	S	Bend	trans	-81.4	131.6	178.2	0	0	0	0	0	111.2	M74 N75 G79 I81 M89	M74-A77 PolarHBondContact O-N 3.34Å; N75-A77 PolarHBondContact O-N 3.22Å; A77-G79 WeakPolarHBondContact CB-O 3.35Å; A77-G79 PolarHBondContact O-N 3.37Å; A77-I81 HydrophobicContact CB-CD1 3.73Å; A77-I81 HydrophobicContact CB-CG1 3.44Å; A77-I81 VanDerWaalsContact CB-CG1 3.44Å; A77-M89 HydrophobicContact CB-CE 4.11Å; A77-M89 HydrophobicContact CB-SD 3.56Å; A77-M89 VanDerWaalsContact CB-SD 3.56Å
78	P	81	Confident	88.7	Confident	109 Å²	109	59.3 Å²	59.3	71%	0.708	33%	0.326	S	S	*	.	S	Bend	trans	-71.2	0.6	177.7	29.4	-35.1	0	0	0	113.6	M85	P78-M85 HydrophobicContact CG-CE 4.14Å; P78-M85 HydrophobicContact CG-SD 3.88Å
79	G	86.6	Confident	88.2	Confident	29 Å²	29	55.3 Å²	55.3	30%	0.299	30%	0.304	S	S	.	.	S	Bend	trans	178.5	-166.8	-178.5	0	0	0	0	0	111.9	A77 I81	A77-G79 WeakPolarHBondContact CB-O 3.35Å; A77-G79 PolarHBondContact O-N 3.37Å; G79-I81 PolarHBondContact O-N 3.25Å
80	P	89.1	Confident	87.8	Confident	95 Å²	95	53.3 Å²	53.3	62%	0.617	30%	0.298	S	S	*	.			trans	-55.8	131.1	-178.8	-25.3	34.3	0	0	0	112.7	F48 N82	F48-P80 HydrophobicContact CD1-CB 3.99Å; F48-P80 HydrophobicContact CE1-CB 4.12Å; P80-N82 PolarHBondContact O-N 3.49Å; P80-N82 VanDerWaalsContact O-N 3.07Å
81	I	92.7	Very high	87.1	Confident	13 Å²	13	53.3 Å²	53.3	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	79.3	-175.5	-52.7	173.4	0	0	0	109.3	F48 V49 M74 A77 G79 F86 M89	F48-I81 CarbonylContact C-O 3.53Å; F48-I81 WeakPolarHBondContact CA-O 3.44Å; V49-I81 HydrophobicContact CB-CB 4.14Å; V49-I81 HydrophobicContact CB-CG2 4.05Å; V49-I81 HydrophobicContact CG2-CG2 4.49Å; V49-I81 PolarHBondContact N-O 2.85Å; M74-I81 HydrophobicContact CE-CD1 3.76Å; M74-I81 HydrophobicContact CE-CG1 4.42Å; M74-I81 HydrophobicContact SD-CD1 3.87Å; A77-I81 HydrophobicContact CB-CD1 3.73Å; A77-I81 HydrophobicContact CB-CG1 3.44Å; A77-I81 VanDerWaalsContact CB-CG1 3.44Å; G79-I81 PolarHBondContact O-N 3.25Å; I81-F86 HydrophobicContact CG2-CB 4.34Å; I81-F86 HydrophobicContact CG2-CD2 4.36Å; I81-M89 HydrophobicContact CD1-CE 4.18Å; I81-M89 HydrophobicContact CG1-CE 4.06Å; I81-M89 HydrophobicContact CG2-CE 3.71Å
82	N	92.3	Very high	86.4	Confident	56 Å²	56	54.5 Å²	54.5	30%	0.299	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	170.7	163.5	63.2	35.7	0	0	0	110.8	G47 F48 P80 T84 M85 F86	G47-N82 WeakPolarHBondContact O-CA 3.37Å; F48-N82 HydrophobicContact CD1-CB 3.82Å; F48-N82 HydrophobicContact CE1-CB 3.75Å; F48-N82 HydrophobicContact CZ-CB 4.44Å; P80-N82 PolarHBondContact O-N 3.49Å; P80-N82 VanDerWaalsContact O-N 3.07Å; N82-T84 PolarHBondContact O-N 3.03Å; N82-T84 VanDerWaalsContact O-N 3.09Å; N82-T84 WeakPolarHBondContact OD1-CB 3.31Å; N82-T84 PolarHBondContact OD1-N 2.84Å; N82-T84 VanDerWaalsContact OD1-N 3.14Å; N82-M85 PolarHBondContact O-N 2.94Å; N82-M85 PolarHBondContact OD1-N 2.87Å; N82-F86 PolarHBondContact O-N 2.82Å
83	F	90.7	Very high	85.4	Confident	42 Å²	42	59 Å²	59	18%	0.184	31%	0.313	C	S	.	.	H	α-helix	trans	-54.3	-34.7	-179	-176.3	-118.6	0	0	0	114.1	F23 I31 F34 K35 F38 F86 L87	F23-F83 HydrophobicContact CE1-CE1 4.19Å; F23-F83 HydrophobicContact CZ-CE1 4.37Å; I31-F83 HydrophobicContact CG2-CZ 4.5Å; F34-F83 HydrophobicContact CB-CE2 4.22Å; F34-F83 HydrophobicContact CB-CZ 4.49Å; K35-F83 VanDerWaalsContact CA-CE2 3.47Å; K35-F83 HydrophobicContact CB-CE2 3.97Å; K35-F83 HydrophobicContact CB-CZ 3.72Å; K35-F83 HydrophobicContact CG-CE2 4.46Å; K35-F83 HydrophobicContact CG-CZ 4.25Å; F38-F83 HydrophobicContact CB-CD2 3.72Å; F38-F83 HydrophobicContact CB-CE2 4.1Å; F38-F83 HydrophobicContact CD1-CB 4.3Å; F38-F83 HydrophobicContact CD1-CD2 4.19Å; F38-F83 HydrophobicContact CD2-CB 4.4Å; F38-F83 AromaticContact CD2-CD2 4Å; F38-F83 HydrophobicContact CD2-CD2 4Å; F38-F83 HydrophobicContact CE1-CB 4.26Å; F38-F83 HydrophobicContact CE2-CB 4.33Å; F38-F83 HydrophobicContact CG-CB 4.38Å; F38-F83 AromaticContact CG-CD2 3.69Å; F38-F83 HydrophobicContact CG-CD2 3.69Å; F38-F83 HydrophobicContact CG-CG 4.5Å; F38-F83 HydrophobicContact CZ-CB 4.27Å; F83-F86 WeakPolarHBondContact O-CB 3.49Å; F83-F86 PolarHBondContact O-N 3.2Å; F83-L87 HydrophobicContact CD1-CD1 4.29Å; F83-L87 HydrophobicContact CE1-CD1 3.7Å; F83-L87 HydrophobicContact CE1-CG 4.28Å; F83-L87 HydrophobicContact CE2-CD1 4.46Å; F83-L87 HydrophobicContact CE2-CD2 4.35Å; F83-L87 HydrophobicContact CE2-CG 4.18Å; F83-L87 HydrophobicContact CZ-CD1 3.8Å; F83-L87 HydrophobicContact CZ-CD2 4.17Å; F83-L87 HydrophobicContact CZ-CG 3.99Å; F83-L87 WeakPolarHBondContact O-CG 3.07Å; F83-L87 PolarHBondContact O-N 3.09Å
84	T	89.6	Confident	84.2	Confident	54 Å²	54	59 Å²	59	33%	0.331	31%	0.314	S	S	.	.	H	α-helix	trans	-70.4	-41.2	177.3	-55.2	0	0	0	0	111.7	F23 N82 F86 L87 T88	F23-T84 HydrophobicContact CE2-CG2 4.32Å; N82-T84 PolarHBondContact O-N 3.03Å; N82-T84 VanDerWaalsContact O-N 3.09Å; N82-T84 WeakPolarHBondContact OD1-CB 3.31Å; N82-T84 PolarHBondContact OD1-N 2.84Å; N82-T84 VanDerWaalsContact OD1-N 3.14Å; T84-F86 VanDerWaalsContact C-N 3.34Å; T84-L87 PolarHBondContact O-N 3.3Å; T84-T88 PolarHBondContact O-N 3.44Å; T84-T88 PolarHBondContact O-OG1 3.11Å
85	M	88.7	Confident	82.7	Confident	48 Å²	48	61.2 Å²	61.2	24%	0.236	33%	0.327	C	S	.	.	H	α-helix	trans	-65.4	-39.9	174.2	-174.4	57.9	72	0	0	111.3	P78 N82 L87 T88 M89	P78-M85 HydrophobicContact CG-CE 4.14Å; P78-M85 HydrophobicContact CG-SD 3.88Å; N82-M85 PolarHBondContact O-N 2.94Å; N82-M85 PolarHBondContact OD1-N 2.87Å; M85-L87 PolarHBondContact O-N 3.43Å; M85-T88 CarbonylContact O-C 3.59Å; M85-T88 WeakPolarHBondContact O-CA 3.42Å; M85-T88 WeakPolarHBondContact O-CB 3.46Å; M85-T88 PolarHBondContact O-N 2.76Å; M85-T88 VanDerWaalsContact O-N 3.07Å; M85-M89 WeakPolarHBondContact O-CG 3.18Å; M85-M89 PolarHBondContact O-N 3.33Å
86	F	88.1	Confident	81.4	Confident	18 Å²	18	59.6 Å²	59.6	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-55.5	-51.8	173.7	-173.6	-99.7	0	0	0	110.9	F34 F38 I41 I81 N82 F83 T84 T88 M89 F90	F34-F86 HydrophobicContact CB-CE1 4.33Å; F34-F86 HydrophobicContact CD1-CE1 4.17Å; F38-F86 HydrophobicContact CB-CD1 4.45Å; F38-F86 HydrophobicContact CB-CE1 4.44Å; F38-F86 HydrophobicContact CD2-CB 3.86Å; F38-F86 HydrophobicContact CD2-CD1 4.1Å; F38-F86 HydrophobicContact CD2-CD2 4.03Å; F38-F86 AromaticContact CD2-CG 3.75Å; F38-F86 HydrophobicContact CD2-CG 3.75Å; F38-F86 HydrophobicContact CE2-CB 4.09Å; F38-F86 HydrophobicContact CE2-CG 4.39Å; I41-F86 HydrophobicContact CD1-CE2 3.99Å; I41-F86 HydrophobicContact CD1-CZ 4.18Å; I81-F86 HydrophobicContact CG2-CB 4.34Å; I81-F86 HydrophobicContact CG2-CD2 4.36Å; N82-F86 PolarHBondContact O-N 2.82Å; F83-F86 WeakPolarHBondContact O-CB 3.49Å; F83-F86 PolarHBondContact O-N 3.2Å; T84-F86 VanDerWaalsContact C-N 3.34Å; F86-T88 VanDerWaalsContact C-N 3.28Å; F86-T88 PolarHBondContact O-N 2.71Å; F86-M89 PolarHBondContact O-N 3.37Å; F86-F90 HydrophobicContact CD1-CD2 4.05Å; F86-F90 HydrophobicContact CD1-CE2 4.21Å; F86-F90 HydrophobicContact CD2-CD2 4.37Å; F86-F90 HydrophobicContact CD2-CE2 4.04Å; F86-F90 AromaticContact CE1-CD2 3.85Å; F86-F90 HydrophobicContact CE1-CD2 3.85Å; F86-F90 AromaticContact CE1-CE2 3.66Å; F86-F90 HydrophobicContact CE1-CE2 3.66Å; F86-F90 HydrophobicContact CE2-CD2 4.2Å; 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 4.4Å; F86-F90 HydrophobicContact CG-CD2 4.31Å; F86-F90 HydrophobicContact CG-CE2 4.38Å; F86-F90 AromaticContact CZ-CD2 3.93Å; F86-F90 HydrophobicContact CZ-CD2 3.93Å; F86-F90 AromaticContact CZ-CE2 3.26Å; F86-F90 HydrophobicContact CZ-CE2 3.26Å; F86-F90 AromaticContact CZ-CZ 4Å; F86-F90 HydrophobicContact CZ-CZ 4Å; F86-F90 WeakPolarHBondContact O-CD2 3.4Å; F86-F90 PolarHBondContact O-N 3.47Å
87	L	87	Confident	80.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.1	-36.4	174	-71.5	179.1	0	0	0	112.8	V22 F23 F26 F34 F83 T84 M85 G91	V22-L87 HydrophobicContact CG1-CB 4.4Å; V22-L87 HydrophobicContact CG2-CB 4.06Å; V22-L87 WeakPolarHBondContact CG2-O 3.33Å; F23-L87 HydrophobicContact CD1-CD1 3.78Å; F23-L87 HydrophobicContact CE1-CD1 3.25Å; F23-L87 HydrophobicContact CE2-CD1 4.23Å; F23-L87 HydrophobicContact CG-CD1 4.47Å; F23-L87 HydrophobicContact CZ-CD1 3.51Å; F26-L87 HydrophobicContact CD2-CD2 4.33Å; F26-L87 HydrophobicContact CE2-CB 4.48Å; F26-L87 HydrophobicContact CE2-CD2 4.32Å; F34-L87 HydrophobicContact CB-CD2 3.62Å; F34-L87 HydrophobicContact CD2-CD2 3.49Å; F34-L87 VanDerWaalsContact CD2-CD2 3.49Å; F34-L87 HydrophobicContact CE2-CD2 4.37Å; F34-L87 HydrophobicContact CG-CD2 3.73Å; F83-L87 HydrophobicContact CD1-CD1 4.29Å; F83-L87 HydrophobicContact CE1-CD1 3.7Å; F83-L87 HydrophobicContact CE1-CG 4.28Å; F83-L87 HydrophobicContact CE2-CD1 4.46Å; F83-L87 HydrophobicContact CE2-CD2 4.35Å; F83-L87 HydrophobicContact CE2-CG 4.18Å; F83-L87 HydrophobicContact CZ-CD1 3.8Å; F83-L87 HydrophobicContact CZ-CD2 4.17Å; F83-L87 HydrophobicContact CZ-CG 3.99Å; F83-L87 WeakPolarHBondContact O-CG 3.07Å; F83-L87 PolarHBondContact O-N 3.09Å; T84-L87 PolarHBondContact O-N 3.3Å; M85-L87 PolarHBondContact O-N 3.43Å; L87-G91 WeakPolarHBondContact O-CA 2.95Å; L87-G91 PolarHBondContact O-N 3.19Å
88	T	84.6	Confident	80.2	Confident	26 Å²	26	60.6 Å²	60.6	16%	0.16	35%	0.347	C	S	.	.	H	α-helix	trans	-66	-43.1	176.5	-58.4	0	0	0	0	111.5	T84 M85 F86 F90 G91 E92	T84-T88 PolarHBondContact O-N 3.44Å; T84-T88 PolarHBondContact O-OG1 3.11Å; M85-T88 CarbonylContact O-C 3.59Å; M85-T88 WeakPolarHBondContact O-CA 3.42Å; M85-T88 WeakPolarHBondContact O-CB 3.46Å; M85-T88 PolarHBondContact O-N 2.76Å; M85-T88 VanDerWaalsContact O-N 3.07Å; F86-T88 VanDerWaalsContact C-N 3.28Å; F86-T88 PolarHBondContact O-N 2.71Å; T88-F90 PolarHBondContact O-N 2.72Å; T88-G91 CarbonylContact O-C 3.55Å; T88-G91 PolarHBondContact O-N 3.49Å; T88-E92 HydrophobicContact CG2-CG 4.22Å; T88-E92 WeakPolarHBondContact O-CB 3.48Å; T88-E92 WeakPolarHBondContact O-CG 3.16Å; T88-E92 PolarHBondContact O-N 3.21Å
89	M	83.1	Confident	80.2	Confident	36 Å²	36	58.7 Å²	58.7	18%	0.177	33%	0.334	C	S	.	.	H	α-helix	trans	-63.3	-42.9	177.5	-69.9	-168	-66.8	0	0	111.8	A77 I81 M85 F86 K93	A77-M89 HydrophobicContact CB-CE 4.11Å; A77-M89 HydrophobicContact CB-SD 3.56Å; A77-M89 VanDerWaalsContact CB-SD 3.56Å; I81-M89 HydrophobicContact CD1-CE 4.18Å; I81-M89 HydrophobicContact CG1-CE 4.06Å; I81-M89 HydrophobicContact CG2-CE 3.71Å; M85-M89 WeakPolarHBondContact O-CG 3.18Å; M85-M89 PolarHBondContact O-N 3.33Å; F86-M89 PolarHBondContact O-N 3.37Å; M89-K93 PolarHBondContact O-N 3.2Å; M89-K93 VanDerWaalsContact O-N 3.09Å
90	F	79.3	Confident	80.1	Confident	82 Å²	82	59.7 Å²	59.7	36%	0.36	33%	0.331	S	S	.	.	H	α-helix	trans	-67.1	-40.1	172.6	-84	-86.7	0	0	0	111.7	F26 F34 F86 T88 E92 K93 L94	F26-F90 HydrophobicContact CZ-CB 4.3Å; F34-F90 HydrophobicContact CD1-CD1 4.46Å; F34-F90 HydrophobicContact CD1-CG 4.35Å; F34-F90 HydrophobicContact CE1-CB 4.15Å; F34-F90 AromaticContact CE1-CD1 3.61Å; F34-F90 HydrophobicContact CE1-CD1 3.61Å; F34-F90 HydrophobicContact CE1-CD2 4.42Å; F34-F90 HydrophobicContact CE1-CE1 4.1Å; F34-F90 AromaticContact CE1-CG 3.79Å; F34-F90 HydrophobicContact CE1-CG 3.79Å; F34-F90 HydrophobicContact CZ-CB 4.19Å; F34-F90 HydrophobicContact CZ-CD1 4.17Å; F34-F90 HydrophobicContact CZ-CG 4.3Å; F86-F90 HydrophobicContact CD1-CD2 4.05Å; F86-F90 HydrophobicContact CD1-CE2 4.21Å; F86-F90 HydrophobicContact CD2-CD2 4.37Å; F86-F90 HydrophobicContact CD2-CE2 4.04Å; F86-F90 AromaticContact CE1-CD2 3.85Å; F86-F90 HydrophobicContact CE1-CD2 3.85Å; F86-F90 AromaticContact CE1-CE2 3.66Å; F86-F90 HydrophobicContact CE1-CE2 3.66Å; F86-F90 HydrophobicContact CE2-CD2 4.2Å; 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 4.4Å; F86-F90 HydrophobicContact CG-CD2 4.31Å; F86-F90 HydrophobicContact CG-CE2 4.38Å; F86-F90 AromaticContact CZ-CD2 3.93Å; F86-F90 HydrophobicContact CZ-CD2 3.93Å; F86-F90 AromaticContact CZ-CE2 3.26Å; F86-F90 HydrophobicContact CZ-CE2 3.26Å; F86-F90 AromaticContact CZ-CZ 4Å; F86-F90 HydrophobicContact CZ-CZ 4Å; F86-F90 WeakPolarHBondContact O-CD2 3.4Å; F86-F90 PolarHBondContact O-N 3.47Å; T88-F90 PolarHBondContact O-N 2.72Å; F90-E92 VanDerWaalsContact C-N 3.34Å; F90-E92 PolarHBondContact O-N 3.49Å; F90-K93 PolarHBondContact O-N 2.85Å; F90-L94 WeakPolarHBondContact O-CB 3.35Å; F90-L94 WeakPolarHBondContact O-CD1 3.5Å; F90-L94 WeakPolarHBondContact O-CG 3.37Å; F90-L94 PolarHBondContact O-N 3.02Å
91	G	77.7	Confident	80	Confident	1 Å²	1	59 Å²	59	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-67.6	-32.8	-179.7	0	0	0	0	0	112.7	L87 T88 N95	L87-G91 WeakPolarHBondContact O-CA 2.95Å; L87-G91 PolarHBondContact O-N 3.19Å; T88-G91 CarbonylContact O-C 3.55Å; T88-G91 PolarHBondContact O-N 3.49Å; G91-N95 VanDerWaalsContact O-CA 3.29Å; G91-N95 WeakPolarHBondContact O-CA 3.29Å; G91-N95 WeakPolarHBondContact O-CB 3.37Å; G91-N95 PolarHBondContact O-N 3.43Å; G91-N95 PolarHBondContact O-ND2 3.26Å
92	E	75.3	Confident	79.7	Confident	127 Å²	127	61.4 Å²	61.4	59%	0.593	34%	0.337	S	S	*	.	H	α-helix	trans	-76.5	-39.7	173.9	-74.7	179.5	173.4	0	0	111.9	T88 F90 L94	T88-E92 HydrophobicContact CG2-CG 4.22Å; T88-E92 WeakPolarHBondContact O-CB 3.48Å; T88-E92 WeakPolarHBondContact O-CG 3.16Å; T88-E92 PolarHBondContact O-N 3.21Å; F90-E92 VanDerWaalsContact C-N 3.34Å; F90-E92 PolarHBondContact O-N 3.49Å; E92-L94 VanDerWaalsContact C-N 3.3Å; E92-L94 PolarHBondContact O-N 3.23Å
93	K	68.9	Low	79.6	Confident	150 Å²	150	60 Å²	60	65%	0.652	33%	0.329	S	S	*	.	H	α-helix	trans	-68.1	-29.3	172.9	-74.6	-175.8	-179.4	-177.2	0	112.5	E76 M89 F90	E76-K93 IonicContact OE2-NZ 3.99Å; E76-K93 PolarHBondContact OE2-NZ 2.89Å; M89-K93 PolarHBondContact O-N 3.2Å; M89-K93 VanDerWaalsContact O-N 3.09Å; F90-K93 PolarHBondContact O-N 2.85Å
94	L	63.2	Low	79.6	Confident	61 Å²	61	62.2 Å²	62.2	32%	0.319	34%	0.337	S	S	.	.	H	α-helix	trans	-93.3	-21.8	177.6	-65.5	169.2	0	0	0	113	F26 F34 F90 E92 G96 T97	F26-L94 HydrophobicContact CE1-CD1 3.66Å; F26-L94 HydrophobicContact CZ-CD1 4.16Å; F34-L94 HydrophobicContact CZ-CD1 4.18Å; F90-L94 WeakPolarHBondContact O-CB 3.35Å; F90-L94 WeakPolarHBondContact O-CD1 3.5Å; F90-L94 WeakPolarHBondContact O-CG 3.37Å; F90-L94 PolarHBondContact O-N 3.02Å; E92-L94 VanDerWaalsContact C-N 3.3Å; E92-L94 PolarHBondContact O-N 3.23Å; L94-G96 PolarHBondContact O-N 3.39Å; L94-T97 PolarHBondContact O-N 3.47Å; L94-T97 PolarHBondContact O-OG1 2.78Å
95	N	59.8	Low	79.6	Confident	90 Å²	90	63.9 Å²	63.9	48%	0.481	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	113.1	173.4	-101.8	-23.6	0	0	0	109.1	M25 G91	M25-N95 WeakPolarHBondContact CE-ND2 3.47Å; M25-N95 PolarHBondContact SD-ND2 2.93Å; M25-N95 PolarHBondContact SD-OD1 3.46Å; G91-N95 VanDerWaalsContact O-CA 3.29Å; G91-N95 WeakPolarHBondContact O-CA 3.29Å; G91-N95 WeakPolarHBondContact O-CB 3.37Å; G91-N95 PolarHBondContact O-N 3.43Å; G91-N95 PolarHBondContact O-ND2 3.26Å
96	G	60.8	Low	79.7	Confident	81 Å²	81	64.2 Å²	64.2	84%	0.835	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	132.4	-12.5	-178.9	0	0	0	0	0	112.4	L94	L94-G96 PolarHBondContact O-N 3.39Å
97	T	65.9	Low	79.9	Confident	52 Å²	52	65.2 Å²	65.2	32%	0.319	36%	0.358	S	S	.	.			trans	-114.5	125.1	174.6	61.9	0	0	0	0	110.7	L94 K164	L94-T97 PolarHBondContact O-N 3.47Å; L94-T97 PolarHBondContact O-OG1 2.78Å; T97-K164 PolarHBondContact O-NZ 3.3Å; T97-K164 VanDerWaalsContact O-NZ 3.11Å; T97-K164 PolarHBondContact OG1-NZ 3.41Å
98	D	80.6	Confident	80.2	Confident	103 Å²	103	67 Å²	67	55%	0.551	37%	0.373	S	S	*	.			trans	-61	164.4	172.1	-73.6	-48	0	0	0	111.5	V102 I103 K164	D98-V102 HydrophobicContact CB-CB 4.01Å; D98-V102 HydrophobicContact CB-CG1 3.78Å; D98-I103 HydrophobicContact CB-CD1 4.4Å; D98-I103 HydrophobicContact CB-CG1 3.79Å; D98-I103 VanDerWaalsContact O-CD1 3.25Å; D98-I103 WeakPolarHBondContact O-CD1 3.1Å; D98-K164 WeakPolarHBondContact O-CE 3.25Å; D98-K164 PolarHBondContact O-NZ 3.42Å
99	P	80.6	Confident	80.5	Confident	69 Å²	69	70.6 Å²	70.6	45%	0.448	40%	0.398	S	S	.	.			trans	-52	148.5	171	-28.5	37.1	0	0	0	112.5	D101 V102 I103	P99-D101 WeakPolarHBondContact CB-OD1 3.45Å; P99-D101 PolarHBondContact O-N 2.75Å; P99-V102 HydrophobicContact CB-CB 4.35Å; P99-V102 HydrophobicContact CB-CG2 4Å; P99-V102 HydrophobicContact CG-CG2 4.09Å; P99-V102 WeakPolarHBondContact O-CB 3.32Å; P99-V102 PolarHBondContact O-N 3.19Å; P99-I103 WeakPolarHBondContact O-CG1 3.44Å; P99-I103 PolarHBondContact O-N 2.95Å
100	E	84.6	Confident	80.7	Confident	50 Å²	50	72.7 Å²	72.7	23%	0.234	41%	0.406	C	S	.	.	H	α-helix	trans	-53.4	-43.4	-176.5	-172.1	-169.2	127.7	0	0	111.9	V102 I103 R104 K164 H165	E100-V102 VanDerWaalsContact C-N 3.34Å; E100-V102 PolarHBondContact O-N 3.18Å; E100-I103 PolarHBondContact O-N 3.44Å; E100-R104 WeakPolarHBondContact O-CB 3.31Å; E100-R104 PolarHBondContact O-N 2.97Å; E100-R104 IonicContact OE1-NH1 3.16Å; E100-K164 HydrophobicContact CB-CG 4.01Å; E100-K164 HydrophobicContact CG-CG 4.42Å; E100-H165 IonicContact OE2-CD2 2.75Å; E100-H165 IonicContact OE2-NE2 2.77Å; E100-H165 PolarHBondContact OE2-NE2 3.01Å
101	D	86.1	Confident	81.4	Confident	80 Å²	80	69.5 Å²	69.5	43%	0.428	39%	0.393	S	S	.	.	H	α-helix	trans	-64.6	-37.2	178.7	62.5	-47	0	0	0	112.3	P99 N105	P99-D101 WeakPolarHBondContact CB-OD1 3.45Å; P99-D101 PolarHBondContact O-N 2.75Å; D101-N105 WeakPolarHBondContact O-CB 3.44Å; D101-N105 PolarHBondContact O-N 3.29Å; D101-N105 PolarHBondContact O-ND2 2.84Å; D101-N105 PolarHBondContact O-OD1 3.3Å
102	V	87.8	Confident	81.9	Confident	64 Å²	64	78.9 Å²	78.9	39%	0.388	44%	0.437	S	S	.	.	H	α-helix	trans	-66.4	-47.4	175.8	176	0	0	0	0	110.6	D98 P99 E100 R104 N105 A106	D98-V102 HydrophobicContact CB-CB 4.01Å; D98-V102 HydrophobicContact CB-CG1 3.78Å; P99-V102 HydrophobicContact CB-CB 4.35Å; P99-V102 HydrophobicContact CB-CG2 4Å; P99-V102 HydrophobicContact CG-CG2 4.09Å; P99-V102 WeakPolarHBondContact O-CB 3.32Å; P99-V102 PolarHBondContact O-N 3.19Å; E100-V102 VanDerWaalsContact C-N 3.34Å; E100-V102 PolarHBondContact O-N 3.18Å; V102-R104 PolarHBondContact O-N 3.5Å; V102-N105 PolarHBondContact O-N 3.22Å; V102-A106 PolarHBondContact O-N 3.28Å
103	I	88.6	Confident	82.6	Confident	25 Å²	25	81.1 Å²	81.1	13%	0.128	45%	0.447	C	S	.	.	H	α-helix	trans	-63.8	-43.3	177.9	-55.1	174.8	0	0	0	110.1	D98 P99 E100 N105 A106 F107 T160 L163 K164	D98-I103 HydrophobicContact CB-CD1 4.4Å; D98-I103 HydrophobicContact CB-CG1 3.79Å; D98-I103 VanDerWaalsContact O-CD1 3.25Å; D98-I103 WeakPolarHBondContact O-CD1 3.1Å; P99-I103 WeakPolarHBondContact O-CG1 3.44Å; P99-I103 PolarHBondContact O-N 2.95Å; E100-I103 PolarHBondContact O-N 3.44Å; I103-N105 PolarHBondContact O-N 2.87Å; I103-A106 WeakPolarHBondContact O-CB 3.5Å; I103-A106 PolarHBondContact O-N 3.26Å; I103-A106 VanDerWaalsContact O-N 3.17Å; I103-F107 HydrophobicContact CG2-CD2 4.14Å; I103-F107 HydrophobicContact CG2-CE2 3.9Å; I103-F107 WeakPolarHBondContact O-CD2 3.48Å; I103-F107 PolarHBondContact O-N 3.4Å; I103-F107 VanDerWaalsContact O-N 3.16Å; I103-T160 HydrophobicContact CB-CG2 3.95Å; I103-T160 HydrophobicContact CG2-CG2 3.59Å; I103-L163 HydrophobicContact CD1-CD2 4Å; I103-K164 HydrophobicContact CD1-CD 4.19Å
104	R	91.1	Very high	83.6	Confident	90 Å²	90	76.7 Å²	76.7	34%	0.34	44%	0.444	S	S	.	.	H	α-helix	trans	-62.9	-41.8	178	-174	-179.5	67.4	-152.9	-1.4	111.9	E100 V102 A106 F107 A108 Y156 T160	E100-R104 WeakPolarHBondContact O-CB 3.31Å; E100-R104 PolarHBondContact O-N 2.97Å; E100-R104 IonicContact OE1-NH1 3.16Å; V102-R104 PolarHBondContact O-N 3.5Å; R104-A106 VanDerWaalsContact C-N 3.28Å; R104-A106 PolarHBondContact O-N 3.39Å; R104-F107 PolarHBondContact O-N 2.85Å; R104-A108 WeakPolarHBondContact O-CB 3.3Å; R104-A108 PolarHBondContact O-N 2.91Å; R104-Y156 HydrophobicContact CG-CD2 4.04Å; R104-Y156 HydrophobicContact CG-CE2 3.78Å; R104-T160 HydrophobicContact CB-CG2 4.16Å
105	N	90.1	Very high	85	Confident	88 Å²	88	77.2 Å²	77.2	47%	0.471	45%	0.45	S	S	.	.	H	α-helix	trans	-66.2	-32.7	176.6	-69.5	-19.9	0	0	0	111.6	D101 V102 I103 A108 C109	D101-N105 WeakPolarHBondContact O-CB 3.44Å; D101-N105 PolarHBondContact O-N 3.29Å; D101-N105 PolarHBondContact O-ND2 2.84Å; D101-N105 PolarHBondContact O-OD1 3.3Å; V102-N105 PolarHBondContact O-N 3.22Å; I103-N105 PolarHBondContact O-N 2.87Å; N105-A108 PolarHBondContact O-N 3.13Å; N105-C109 PolarHBondContact O-N 2.75Å; N105-C109 PolarHBondContact O-SG 3.27Å; N105-C109 VanDerWaalsContact O-SG 3.4Å
106	A	91	Very high	86.6	Confident	55 Å²	55	73.4 Å²	73.4	46%	0.455	43%	0.431	S	S	.	.	H	α-helix	trans	-64.2	-42.8	174.2	0	0	0	0	0	111.9	V102 I103 R104 C109	V102-A106 PolarHBondContact O-N 3.28Å; I103-A106 WeakPolarHBondContact O-CB 3.5Å; I103-A106 PolarHBondContact O-N 3.26Å; I103-A106 VanDerWaalsContact O-N 3.17Å; R104-A106 VanDerWaalsContact C-N 3.28Å; R104-A106 PolarHBondContact O-N 3.39Å; A106-C109 WeakPolarHBondContact O-CB 3.45Å; A106-C109 PolarHBondContact O-N 3.32Å
107	F	92.2	Very high	88.2	Confident	39 Å²	39	73 Å²	73	17%	0.171	41%	0.407	C	S	.	.	H	α-helix	trans	-67.5	-37.8	173.3	-78.2	-70	0	0	0	112.8	I103 R104 C109 F110 I118 L123 F154 Y156 F159 T160	I103-F107 HydrophobicContact CG2-CD2 4.14Å; I103-F107 HydrophobicContact CG2-CE2 3.9Å; I103-F107 WeakPolarHBondContact O-CD2 3.48Å; I103-F107 PolarHBondContact O-N 3.4Å; I103-F107 VanDerWaalsContact O-N 3.16Å; R104-F107 PolarHBondContact O-N 2.85Å; F107-C109 PolarHBondContact O-N 2.95Å; F107-C109 VanDerWaalsContact O-N 3.1Å; F107-F110 PolarHBondContact O-N 3.01Å; F107-I118 HydrophobicContact CB-CD1 4.07Å; F107-I118 HydrophobicContact CD1-CD1 3.76Å; F107-I118 HydrophobicContact CG-CD1 4.37Å; F107-L123 HydrophobicContact CE1-CD1 4.09Å; F107-F154 HydrophobicContact CD1-CE1 4.29Å; F107-F154 AromaticContact CE1-CE1 3.92Å; F107-F154 HydrophobicContact CE1-CE1 3.92Å; F107-F154 HydrophobicContact CZ-CE1 4.15Å; F107-F154 HydrophobicContact CZ-CZ 4.39Å; F107-Y156 HydrophobicContact CB-CD1 4.21Å; F107-Y156 HydrophobicContact CB-CD2 3.44Å; F107-Y156 VanDerWaalsContact CB-CD2 3.44Å; F107-Y156 HydrophobicContact CB-CE2 4.04Å; F107-Y156 HydrophobicContact CB-CG 3.54Å; F107-Y156 HydrophobicContact CG-CD2 4.25Å; F107-Y156 HydrophobicContact CG-CG 4.1Å; F107-F159 HydrophobicContact CE2-CD1 4.19Å; F107-F159 HydrophobicContact CE2-CE1 4.4Å; F107-F159 HydrophobicContact CZ-CD1 4.36Å; F107-F159 HydrophobicContact CZ-CE1 4.34Å; F107-T160 HydrophobicContact CD2-CG2 4.14Å; F107-T160 HydrophobicContact CE2-CG2 4.36Å
108	A	92.6	Very high	89.6	Confident	37 Å²	37	70.5 Å²	70.5	31%	0.306	39%	0.391	S	S	.	.	H	α-helix	trans	-59.8	-22.1	178.1	0	0	0	0	0	113.4	R104 N105 F110 D111 Y156	R104-A108 WeakPolarHBondContact O-CB 3.3Å; R104-A108 PolarHBondContact O-N 2.91Å; N105-A108 PolarHBondContact O-N 3.13Å; A108-F110 PolarHBondContact O-N 3.5Å; A108-D111 PolarHBondContact O-N 3.4Å; A108-Y156 HydrophobicContact CB-CE2 4.45Å
109	C	90.4	Very high	90.3	Very high	102 Å²	102	68.8 Å²	68.8	69%	0.689	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.2	171.8	-66.4	0	0	0	0	113.7	N105 A106 F107	N105-C109 PolarHBondContact O-N 2.75Å; N105-C109 PolarHBondContact O-SG 3.27Å; N105-C109 VanDerWaalsContact O-SG 3.4Å; A106-C109 WeakPolarHBondContact O-CB 3.45Å; A106-C109 PolarHBondContact O-N 3.32Å; F107-C109 PolarHBondContact O-N 2.95Å; F107-C109 VanDerWaalsContact O-N 3.1Å
110	F	89.4	Confident	90.9	Very high	80 Å²	80	67.1 Å²	67.1	35%	0.351	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-1.8	179.3	-57.4	-73.1	0	0	0	113.2	F107 A108 I118 Y122 L126	F107-F110 PolarHBondContact O-N 3.01Å; A108-F110 PolarHBondContact O-N 3.5Å; F110-I118 HydrophobicContact CB-CD1 4.1Å; F110-Y122 HydrophobicContact CB-CE1 4.11Å; F110-L126 HydrophobicContact CB-CD1 4.1Å; F110-L126 HydrophobicContact CD1-CD1 3.38Å; F110-L126 HydrophobicContact CD1-CD2 4.01Å; F110-L126 HydrophobicContact CD1-CG 4.35Å; F110-L126 HydrophobicContact CD2-CD1 4.22Å; F110-L126 HydrophobicContact CE1-CD1 3.75Å; F110-L126 HydrophobicContact CE1-CD2 3.77Å; F110-L126 HydrophobicContact CE1-CG 4.38Å; F110-L126 HydrophobicContact CG-CD1 3.64Å; F110-L126 HydrophobicContact CZ-CD1 4.31Å
111	D	92.3	Very high	91.3	Very high	15 Å²	15	70.4 Å²	70.4	8%	0.08	39%	0.392	C	S	.	.			trans	-115.5	82	176.1	177.8	11.5	0	0	0	108.9	A108 E113 G114 T115 G116 F117 I118 Y156	A108-D111 PolarHBondContact O-N 3.4Å; D111-E113 PolarHBondContact O-N 3.34Å; D111-E113 VanDerWaalsContact O-N 3.17Å; D111-E113 PolarHBondContact OD1-N 3.03Å; D111-G114 PolarHBondContact O-N 3.47Å; D111-G114 PolarHBondContact OD1-N 2.86Å; D111-G114 VanDerWaalsContact OD2-C 3.31Å; D111-G114 WeakPolarHBondContact OD2-CA 3.41Å; D111-T115 VanDerWaalsContact CG-N 3.34Å; D111-T115 PolarHBondContact OD1-N 3.49Å; D111-T115 PolarHBondContact OD1-OG1 3.38Å; D111-T115 WeakPolarHBondContact OD2-CA 3.32Å; D111-T115 PolarHBondContact OD2-N 2.83Å; D111-T115 PolarHBondContact OD2-OG1 3.01Å; D111-G116 PolarHBondContact OD2-N 2.99Å; D111-F117 PolarHBondContact OD2-N 3.25Å; D111-I118 HydrophobicContact CB-CG1 4.3Å; D111-Y156 HydrophobicContact CB-CE1 3.97Å; D111-Y156 WeakPolarHBondContact OD2-CE1 3.28Å; D111-Y156 PolarHBondContact OD2-OH 3.46Å
112	E	88.2	Confident	91.6	Very high	199 Å²	199	71.1 Å²	71.1	93%	0.93	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.6	-177.1	-64.5	-172.6	172.6	0	0	113.1
113	E	89.9	Confident	91.8	Very high	174 Å²	174	68.4 Å²	68.4	81%	0.813	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-10.4	-179.7	-66.8	-169.6	172.9	0	0	112.8	D111 T115	D111-E113 PolarHBondContact O-N 3.34Å; D111-E113 VanDerWaalsContact O-N 3.17Å; D111-E113 PolarHBondContact OD1-N 3.03Å; E113-T115 VanDerWaalsContact C-N 3.27Å; E113-T115 HydrophobicContact CB-CG2 3.73Å; E113-T115 PolarHBondContact O-N 3.33Å
114	G	90.4	Very high	92	Very high	57 Å²	57	69.6 Å²	69.6	59%	0.588	38%	0.375	S	S	*	.			trans	62.2	33.5	179.5	0	0	0	0	0	113.3	D111 G116	D111-G114 PolarHBondContact O-N 3.47Å; D111-G114 PolarHBondContact OD1-N 2.86Å; D111-G114 VanDerWaalsContact OD2-C 3.31Å; D111-G114 WeakPolarHBondContact OD2-CA 3.41Å; G114-G116 VanDerWaalsContact C-N 3.29Å; G114-G116 PolarHBondContact O-N 3.47Å
115	T	92.6	Very high	92.1	Very high	72 Å²	72	70.7 Å²	70.7	44%	0.442	38%	0.384	S	S	.	.			trans	-71.2	-21.9	-178.2	63.8	0	0	0	0	113.6	D111 E113 F117	D111-T115 VanDerWaalsContact CG-N 3.34Å; D111-T115 PolarHBondContact OD1-N 3.49Å; D111-T115 PolarHBondContact OD1-OG1 3.38Å; D111-T115 WeakPolarHBondContact OD2-CA 3.32Å; D111-T115 PolarHBondContact OD2-N 2.83Å; D111-T115 PolarHBondContact OD2-OG1 3.01Å; E113-T115 VanDerWaalsContact C-N 3.27Å; E113-T115 HydrophobicContact CB-CG2 3.73Å; E113-T115 PolarHBondContact O-N 3.33Å; T115-F117 VanDerWaalsContact O-CD2 3.31Å; T115-F117 WeakPolarHBondContact O-CD2 3.29Å; T115-F117 PolarHBondContact OG1-N 3.49Å; T115-F117 PolarHBondContact OG1-O 3.34Å
116	G	93	Very high	92.1	Very high	9 Å²	9	67.2 Å²	67.2	9%	0.093	37%	0.365	C	S	.	.	S	Bend	trans	87.3	7.3	-169	0	0	0	0	0	113.4	D111 G114 Y156	D111-G116 PolarHBondContact OD2-N 2.99Å; G114-G116 VanDerWaalsContact C-N 3.29Å; G114-G116 PolarHBondContact O-N 3.47Å; G116-Y156 VanDerWaalsContact C-CD1 3.44Å; G116-Y156 VanDerWaalsContact O-CD1 3.3Å; G116-Y156 WeakPolarHBondContact O-CD1 3.4Å; G116-Y156 WeakPolarHBondContact O-CE1 3.21Å; G116-Y156 PolarHBondContact O-N 2.97Å
117	F	94.9	Very high	92	Very high	72 Å²	72	66.5 Å²	66.5	32%	0.316	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144	-175.1	-63.9	-90.5	0	0	0	111.8	D111 T115 N153 F154 N155	D111-F117 PolarHBondContact OD2-N 3.25Å; T115-F117 VanDerWaalsContact O-CD2 3.31Å; T115-F117 WeakPolarHBondContact O-CD2 3.29Å; T115-F117 PolarHBondContact OG1-N 3.49Å; T115-F117 PolarHBondContact OG1-O 3.34Å; F117-N153 HydrophobicContact CB-CB 4.13Å; F117-N153 HydrophobicContact CD1-CB 4.02Å; F117-N153 HydrophobicContact CG-CB 4.43Å; F117-F154 VanDerWaalsContact CA-O 3.3Å; F117-F154 WeakPolarHBondContact CA-O 3.5Å; F117-N155 HydrophobicContact CD1-CB 3.9Å; F117-N155 HydrophobicContact CE1-CB 3.63Å; F117-N155 HydrophobicContact CZ-CB 4.45Å
118	I	94.8	Very high	92.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.2	173.1	-61.7	168	0	0	0	107.7	F107 F110 D111 E120 Y122 L123 F154 Y156	F107-I118 HydrophobicContact CB-CD1 4.07Å; F107-I118 HydrophobicContact CD1-CD1 3.76Å; F107-I118 HydrophobicContact CG-CD1 4.37Å; F110-I118 HydrophobicContact CB-CD1 4.1Å; D111-I118 HydrophobicContact CB-CG1 4.3Å; I118-E120 PolarHBondContact O-N 3.2Å; I118-Y122 HydrophobicContact CG2-CD1 3.82Å; I118-L123 HydrophobicContact CG2-CB 4.02Å; I118-F154 PolarHBondContact N-O 2.86Å; I118-F154 WeakPolarHBondContact O-CB 3.5Å; I118-F154 PolarHBondContact O-N 3.49Å; I118-Y156 HydrophobicContact CD1-CD1 3.89Å; I118-Y156 HydrophobicContact CD1-CE1 4.44Å; I118-Y156 HydrophobicContact CD1-CG 4.45Å; I118-Y156 HydrophobicContact CG1-CD1 3.85Å; I118-Y156 HydrophobicContact CG1-CE1 4.22Å
119	P	94.9	Very high	91.8	Very high	67 Å²	67	67.4 Å²	67.4	44%	0.435	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	133.2	173.7	-23.9	34.2	0	0	0	111.3	D121 Y122 L123	P119-D121 VanDerWaalsContact C-N 3.32Å; P119-D121 PolarHBondContact O-N 3.04Å; P119-Y122 WeakPolarHBondContact O-CB 3.45Å; P119-Y122 PolarHBondContact O-N 3.19Å; P119-Y122 VanDerWaalsContact O-N 3.09Å; P119-L123 PolarHBondContact O-N 3.3Å
120	E	93.2	Very high	91.3	Very high	34 Å²	34	68 Å²	68	16%	0.159	35%	0.353	C	S	.	.	H	α-helix	trans	-54.5	-46.8	-177.6	-177.8	-168.9	154	0	0	112	I118 Y122 L123 R124 F143 I148 N152	I118-E120 PolarHBondContact O-N 3.2Å; E120-Y122 VanDerWaalsContact C-N 3.28Å; E120-Y122 PolarHBondContact O-N 3.12Å; E120-L123 PolarHBondContact O-N 2.85Å; E120-R124 WeakPolarHBondContact O-CB 3.2Å; E120-R124 PolarHBondContact O-N 3.46Å; E120-R124 IonicContact OE1-NH2 3.86Å; E120-F143 HydrophobicContact CG-CD2 3.58Å; E120-F143 HydrophobicContact CG-CE2 3.29Å; E120-F143 HydrophobicContact CG-CG 4.43Å; E120-F143 HydrophobicContact CG-CZ 3.95Å; E120-F143 WeakPolarHBondContact OE1-CD2 3.49Å; E120-I148 HydrophobicContact CG-CD1 4.09Å; E120-N152 HydrophobicContact CB-CB 4.24Å; E120-N152 VanDerWaalsContact CB-O 3.26Å; E120-N152 WeakPolarHBondContact CB-O 3.46Å; E120-N152 PolarHBondContact N-O 3.05Å
121	D	93.3	Very high	91	Very high	120 Å²	120	67.6 Å²	67.6	64%	0.642	37%	0.371	S	S	*	.	H	α-helix	trans	-60.1	-39.3	179.8	-67.9	-29.6	0	0	0	111.8	P119 R124 E125	P119-D121 VanDerWaalsContact C-N 3.32Å; P119-D121 PolarHBondContact O-N 3.04Å; D121-R124 PolarHBondContact O-N 3.08Å; D121-E125 PolarHBondContact O-N 3.28Å
122	Y	92.6	Very high	90.6	Very high	95 Å²	95	74.4 Å²	74.4	37%	0.373	41%	0.407	S	S	.	.	H	α-helix	trans	-69.5	-42.1	177.9	179.7	-128	0	0	0	111.1	F110 I118 P119 E120 R124 E125 L126	F110-Y122 HydrophobicContact CB-CE1 4.11Å; I118-Y122 HydrophobicContact CG2-CD1 3.82Å; P119-Y122 WeakPolarHBondContact O-CB 3.45Å; P119-Y122 PolarHBondContact O-N 3.19Å; P119-Y122 VanDerWaalsContact O-N 3.09Å; E120-Y122 VanDerWaalsContact C-N 3.28Å; E120-Y122 PolarHBondContact O-N 3.12Å; Y122-R124 PolarHBondContact O-N 2.93Å; Y122-E125 WeakPolarHBondContact O-CB 3.48Å; Y122-E125 PolarHBondContact O-N 2.8Å; Y122-L126 HydrophobicContact CD1-CD1 4.26Å; Y122-L126 HydrophobicContact CE1-CD1 3.88Å; Y122-L126 HydrophobicContact CE2-CD1 4.36Å; Y122-L126 HydrophobicContact CE2-CD2 4.2Å; Y122-L126 HydrophobicContact CE2-CG 4.2Å; Y122-L126 WeakPolarHBondContact O-CG 3.26Å; Y122-L126 PolarHBondContact O-N 3.26Å
123	L	91.7	Very high	90.6	Very high	6 Å²	6	73.3 Å²	73.3	3%	0.031	40%	0.395	C	S	.	.	H	α-helix	trans	-64.6	-39.5	175.8	-176.9	58	0	0	0	112.1	F107 I118 P119 E120 E125 L126 L127 F143 F154	F107-L123 HydrophobicContact CE1-CD1 4.09Å; I118-L123 HydrophobicContact CG2-CB 4.02Å; P119-L123 PolarHBondContact O-N 3.3Å; E120-L123 PolarHBondContact O-N 2.85Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-E125 PolarHBondContact O-N 2.87Å; L123-L126 WeakPolarHBondContact O-CB 3.36Å; L123-L126 PolarHBondContact O-N 3.18Å; L123-L127 HydrophobicContact CD1-CD1 4.33Å; L123-L127 HydrophobicContact CD1-CG 4.25Å; L123-L127 HydrophobicContact CG-CD1 4.07Å; L123-L127 HydrophobicContact CG-CG 4.45Å; L123-L127 WeakPolarHBondContact O-CG 3.48Å; L123-L127 PolarHBondContact O-N 3.22Å; L123-F143 HydrophobicContact CB-CZ 4.28Å; L123-F143 HydrophobicContact CD2-CE1 3.84Å; L123-F143 HydrophobicContact CD2-CZ 4.16Å; L123-F143 HydrophobicContact CG-CE1 4.25Å; L123-F143 HydrophobicContact CG-CZ 4.15Å; L123-F154 HydrophobicContact CD2-CB 4.12Å; L123-F154 HydrophobicContact CD2-CD1 3.49Å; L123-F154 VanDerWaalsContact CD2-CD1 3.49Å; L123-F154 HydrophobicContact CD2-CD2 4.09Å; L123-F154 HydrophobicContact CD2-CE1 3.74Å; L123-F154 HydrophobicContact CD2-CE2 4.33Å; L123-F154 HydrophobicContact CD2-CG 3.65Å; L123-F154 HydrophobicContact CD2-CZ 4.14Å
124	R	92.9	Very high	90.6	Very high	51 Å²	51	69.3 Å²	69.3	19%	0.192	38%	0.375	C	S	.	.	H	α-helix	trans	-59.4	-44.8	173.4	178.7	178.1	-62.3	-93.4	3.1	111.6	E120 D121 Y122 L126 L127 T128 V139 D140 F143	E120-R124 WeakPolarHBondContact O-CB 3.2Å; E120-R124 PolarHBondContact O-N 3.46Å; E120-R124 IonicContact OE1-NH2 3.86Å; D121-R124 PolarHBondContact O-N 3.08Å; Y122-R124 PolarHBondContact O-N 2.93Å; R124-L126 VanDerWaalsContact C-N 3.33Å; R124-L126 PolarHBondContact O-N 3.45Å; R124-L127 PolarHBondContact O-N 3.29Å; R124-T128 HydrophobicContact CG-CG2 4.41Å; R124-T128 WeakPolarHBondContact O-CB 3.44Å; R124-T128 WeakPolarHBondContact O-CG2 3.49Å; R124-T128 PolarHBondContact O-N 2.77Å; R124-T128 PolarHBondContact O-OG1 2.95Å; R124-V139 HydrophobicContact CB-CG1 4.23Å; R124-V139 HydrophobicContact CG-CG1 4.04Å; R124-D140 IonicContact CZ-OD1 3.22Å; R124-D140 VanDerWaalsContact CZ-OD1 3.22Å; R124-D140 IonicContact NH1-OD1 2.82Å; R124-D140 PolarHBondContact NH1-OD1 3.42Å; R124-D140 IonicContact NH2-OD1 2.71Å; R124-D140 PolarHBondContact NH2-OD1 3.43Å; R124-F143 HydrophobicContact CB-CE2 4.13Å; R124-F143 HydrophobicContact CB-CZ 4.42Å
125	E	93	Very high	90.7	Very high	113 Å²	113	69.7 Å²	69.7	53%	0.528	37%	0.366	S	S	.	.	H	α-helix	trans	-58.8	-46	175.3	-173.6	-178.4	175.4	0	0	110.9	D121 Y122 L123 L127 T128 T129	D121-E125 PolarHBondContact O-N 3.28Å; Y122-E125 WeakPolarHBondContact O-CB 3.48Å; Y122-E125 PolarHBondContact O-N 2.8Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-E125 PolarHBondContact O-N 2.87Å; E125-L127 PolarHBondContact O-N 3.06Å; E125-T128 PolarHBondContact O-N 3.22Å; E125-T128 PolarHBondContact O-OG1 3.02Å; E125-T129 HydrophobicContact CG-CG2 4.11Å; E125-T129 VanDerWaalsContact O-CB 3.27Å; E125-T129 WeakPolarHBondContact O-CB 3.25Å; E125-T129 VanDerWaalsContact O-CG2 3.23Å; E125-T129 WeakPolarHBondContact O-CG2 3.31Å; E125-T129 PolarHBondContact O-N 3.35Å; E125-T129 PolarHBondContact O-OG1 3.42Å
126	L	90.3	Very high	90.6	Very high	15 Å²	15	70.8 Å²	70.8	8%	0.079	37%	0.369	C	S	.	.	H	α-helix	trans	-59.3	-47.9	178.3	-67.5	172.6	0	0	0	112.2	F110 Y122 L123 R124 T128 M130	F110-L126 HydrophobicContact CB-CD1 4.1Å; F110-L126 HydrophobicContact CD1-CD1 3.38Å; F110-L126 HydrophobicContact CD1-CD2 4.01Å; F110-L126 HydrophobicContact CD1-CG 4.35Å; F110-L126 HydrophobicContact CD2-CD1 4.22Å; F110-L126 HydrophobicContact CE1-CD1 3.75Å; F110-L126 HydrophobicContact CE1-CD2 3.77Å; F110-L126 HydrophobicContact CE1-CG 4.38Å; F110-L126 HydrophobicContact CG-CD1 3.64Å; F110-L126 HydrophobicContact CZ-CD1 4.31Å; Y122-L126 HydrophobicContact CD1-CD1 4.26Å; Y122-L126 HydrophobicContact CE1-CD1 3.88Å; Y122-L126 HydrophobicContact CE2-CD1 4.36Å; Y122-L126 HydrophobicContact CE2-CD2 4.2Å; Y122-L126 HydrophobicContact CE2-CG 4.2Å; Y122-L126 WeakPolarHBondContact O-CG 3.26Å; Y122-L126 PolarHBondContact O-N 3.26Å; L123-L126 WeakPolarHBondContact O-CB 3.36Å; L123-L126 PolarHBondContact O-N 3.18Å; R124-L126 VanDerWaalsContact C-N 3.33Å; R124-L126 PolarHBondContact O-N 3.45Å; L126-T128 VanDerWaalsContact C-N 3.33Å; L126-T128 PolarHBondContact O-N 2.94Å; L126-M130 HydrophobicContact CD2-CE 3.72Å; L126-M130 HydrophobicContact CD2-SD 3.83Å; L126-M130 WeakPolarHBondContact O-CB 3.5Å; L126-M130 PolarHBondContact O-N 3.15Å
127	L	90.5	Very high	90.5	Very high	39 Å²	39	76.4 Å²	76.4	20%	0.204	39%	0.393	C	S	.	.	H	α-helix	trans	-68.6	-28.3	-177	-68.1	172.8	0	0	0	113.8	L123 R124 E125 F134 V139 L142 F143	L123-L127 HydrophobicContact CD1-CD1 4.33Å; L123-L127 HydrophobicContact CD1-CG 4.25Å; L123-L127 HydrophobicContact CG-CD1 4.07Å; L123-L127 HydrophobicContact CG-CG 4.45Å; L123-L127 WeakPolarHBondContact O-CG 3.48Å; L123-L127 PolarHBondContact O-N 3.22Å; R124-L127 PolarHBondContact O-N 3.29Å; E125-L127 PolarHBondContact O-N 3.06Å; L127-F134 PolarHBondContact O-N 3.5Å; L127-V139 HydrophobicContact CB-CG2 4.09Å; L127-V139 HydrophobicContact CD1-CG1 4.42Å; L127-V139 HydrophobicContact CD1-CG2 4.36Å; L127-L142 HydrophobicContact CD1-CD2 3.6Å; L127-F143 HydrophobicContact CD1-CE1 4.5Å
128	T	92.3	Very high	90.3	Very high	35 Å²	35	77.3 Å²	77.3	22%	0.215	40%	0.398	C	S	.	.	H	α-helix	trans	-94.8	-17.5	-178.3	56.4	0	0	0	0	113.2	R124 E125 L126 R133 V139	R124-T128 HydrophobicContact CG-CG2 4.41Å; R124-T128 WeakPolarHBondContact O-CB 3.44Å; R124-T128 WeakPolarHBondContact O-CG2 3.49Å; R124-T128 PolarHBondContact O-N 2.77Å; R124-T128 PolarHBondContact O-OG1 2.95Å; E125-T128 PolarHBondContact O-N 3.22Å; E125-T128 PolarHBondContact O-OG1 3.02Å; L126-T128 VanDerWaalsContact C-N 3.33Å; L126-T128 PolarHBondContact O-N 2.94Å; T128-R133 WeakPolarHBondContact O-CD 3.5Å; T128-R133 VanDerWaalsContact O-CG 3.28Å; T128-R133 WeakPolarHBondContact O-CG 3.4Å; T128-V139 HydrophobicContact CG2-CG2 3.95Å
129	T	87.3	Confident	90.1	Very high	61 Å²	61	77.3 Å²	77.3	37%	0.374	40%	0.398	S	S	.	.	H	α-helix	trans	-109.3	-32.9	-175.4	64.4	0	0	0	0	114.2	E125 R133	E125-T129 HydrophobicContact CG-CG2 4.11Å; E125-T129 VanDerWaalsContact O-CB 3.27Å; E125-T129 WeakPolarHBondContact O-CB 3.25Å; E125-T129 VanDerWaalsContact O-CG2 3.23Å; E125-T129 WeakPolarHBondContact O-CG2 3.31Å; E125-T129 PolarHBondContact O-N 3.35Å; E125-T129 PolarHBondContact O-OG1 3.42Å; T129-R133 PolarHBondContact O-NE 3.37Å; T129-R133 VanDerWaalsContact O-NE 3.15Å; T129-R133 PolarHBondContact O-NH2 3.17Å
130	M	80.4	Confident	89.9	Confident	114 Å²	114	78.2 Å²	78.2	56%	0.562	40%	0.399	S	S	*	.	S	Bend	trans	-106.1	140	-172.5	-58.1	-161.5	-178.5	0	0	112.8	L126	L126-M130 HydrophobicContact CD2-CE 3.72Å; L126-M130 HydrophobicContact CD2-SD 3.83Å; L126-M130 WeakPolarHBondContact O-CB 3.5Å; L126-M130 PolarHBondContact O-N 3.15Å
131	G	82.1	Confident	89.7	Confident	72 Å²	72	83.7 Å²	83.7	74%	0.742	43%	0.425	S	S	*	.	S	Bend	trans	66.8	-141	175.5	0	0	0	0	0	113.9	R133	G131-R133 PolarHBondContact O-N 3.24Å
132	D	84.1	Confident	89.4	Confident	157 Å²	157	80.6 Å²	80.6	84%	0.84	41%	0.408	S	S	*	.	S	Bend	trans	-74.8	107.7	170.3	-70.2	-27.7	0	0	0	108.3
133	R	89.1	Confident	89.2	Confident	176 Å²	176	76.9 Å²	76.9	66%	0.664	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-79.1	126.9	-168.8	-62.5	175.5	176.9	173.4	-1.1	110.8	T128 T129 G131	T128-R133 WeakPolarHBondContact O-CD 3.5Å; T128-R133 VanDerWaalsContact O-CG 3.28Å; T128-R133 WeakPolarHBondContact O-CG 3.4Å; T129-R133 PolarHBondContact O-NE 3.37Å; T129-R133 VanDerWaalsContact O-NE 3.15Å; T129-R133 PolarHBondContact O-NH2 3.17Å; G131-R133 PolarHBondContact O-N 3.24Å
134	F	89.6	Confident	88.9	Confident	91 Å²	91	87.1 Å²	87.1	40%	0.399	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-73.6	147.7	169.8	-75.5	-117.4	0	0	0	109.5	L127 E138 V139	L127-F134 PolarHBondContact O-N 3.5Å; F134-E138 VanDerWaalsContact CA-OE2 3.25Å; F134-E138 WeakPolarHBondContact CA-OE2 3.46Å; F134-E138 HydrophobicContact CB-CB 4.2Å; F134-E138 HydrophobicContact CD1-CB 3.72Å; F134-E138 HydrophobicContact CG-CB 4.41Å; F134-V139 HydrophobicContact CB-CG2 3.69Å
135	T	92.9	Very high	88.4	Confident	65 Å²	65	92.9 Å²	92.9	40%	0.399	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-75.1	161.2	165.7	81.4	0	0	0	0	110.2	E137 E138 V139	T135-E137 VanDerWaalsContact CB-OE2 3.25Å; T135-E137 WeakPolarHBondContact CB-OE2 3.3Å; T135-E137 PolarHBondContact O-N 2.9Å; T135-E137 PolarHBondContact OG1-N 3.1Å; T135-E137 PolarHBondContact OG1-OE2 3.4Å; T135-E138 PolarHBondContact N-OE2 2.95Å; T135-E138 PolarHBondContact O-N 3.43Å; T135-E138 VanDerWaalsContact O-N 3.1Å; T135-E138 PolarHBondContact OG1-N 3.36Å; T135-V139 WeakPolarHBondContact O-CG2 3.38Å; T135-V139 PolarHBondContact O-N 3.21Å
136	D	89.7	Confident	88.1	Confident	95 Å²	95	88.2 Å²	88.2	51%	0.508	44%	0.442	S	S	.	.	H	α-helix	trans	-57.5	-35.6	176.4	-70.8	-52.2	0	0	0	111.4	V139 D140	D136-V139 PolarHBondContact O-N 3.16Å; D136-D140 WeakPolarHBondContact O-CB 3.39Å; D136-D140 VanDerWaalsContact O-CG 3.24Å; D136-D140 PolarHBondContact O-N 3.44Å
137	E	91.8	Very high	88.2	Confident	127 Å²	127	88.9 Å²	88.9	59%	0.593	45%	0.447	S	S	*	.	H	α-helix	trans	-65.4	-41.6	175.6	-59	80.3	-172.2	0	0	112.6	T135 V139 D140 E141	T135-E137 VanDerWaalsContact CB-OE2 3.25Å; T135-E137 WeakPolarHBondContact CB-OE2 3.3Å; T135-E137 PolarHBondContact O-N 2.9Å; T135-E137 PolarHBondContact OG1-N 3.1Å; T135-E137 PolarHBondContact OG1-OE2 3.4Å; E137-V139 VanDerWaalsContact C-N 3.32Å; E137-V139 PolarHBondContact O-N 3.17Å; E137-D140 PolarHBondContact O-N 3.41Å; E137-E141 WeakPolarHBondContact O-CG 3.39Å; E137-E141 PolarHBondContact O-N 3.13Å
138	E	89.4	Confident	88.2	Confident	90 Å²	90	89.2 Å²	89.2	42%	0.421	45%	0.449	S	S	.	.	H	α-helix	trans	-67.2	-34.9	178	-65	173.6	141.6	0	0	111.6	F134 T135 L142	F134-E138 VanDerWaalsContact CA-OE2 3.25Å; F134-E138 WeakPolarHBondContact CA-OE2 3.46Å; F134-E138 HydrophobicContact CB-CB 4.2Å; F134-E138 HydrophobicContact CD1-CB 3.72Å; F134-E138 HydrophobicContact CG-CB 4.41Å; T135-E138 PolarHBondContact N-OE2 2.95Å; T135-E138 PolarHBondContact O-N 3.43Å; T135-E138 VanDerWaalsContact O-N 3.1Å; T135-E138 PolarHBondContact OG1-N 3.36Å; E138-L142 WeakPolarHBondContact O-CB 3.42Å; E138-L142 PolarHBondContact O-N 3.47Å
139	V	90.6	Very high	88.1	Confident	0 Å²	0	90.3 Å²	90.3	0%	0	45%	0.453	C	S	.	.	H	α-helix	trans	-69.4	-40.4	174	-179.6	0	0	0	0	111.3	R124 L127 T128 F134 T135 D136 E137 E141 L142 F143	R124-V139 HydrophobicContact CB-CG1 4.23Å; R124-V139 HydrophobicContact CG-CG1 4.04Å; L127-V139 HydrophobicContact CB-CG2 4.09Å; L127-V139 HydrophobicContact CD1-CG1 4.42Å; L127-V139 HydrophobicContact CD1-CG2 4.36Å; T128-V139 HydrophobicContact CG2-CG2 3.95Å; F134-V139 HydrophobicContact CB-CG2 3.69Å; T135-V139 WeakPolarHBondContact O-CG2 3.38Å; T135-V139 PolarHBondContact O-N 3.21Å; D136-V139 PolarHBondContact O-N 3.16Å; E137-V139 VanDerWaalsContact C-N 3.32Å; E137-V139 PolarHBondContact O-N 3.17Å; V139-E141 VanDerWaalsContact C-N 3.32Å; V139-E141 PolarHBondContact O-N 3.26Å; V139-L142 WeakPolarHBondContact O-CB 3.26Å; V139-L142 PolarHBondContact O-N 3.03Å; V139-F143 HydrophobicContact CG1-CD2 3.82Å; V139-F143 HydrophobicContact CG1-CE1 4.26Å; V139-F143 HydrophobicContact CG1-CE2 3.45Å; V139-F143 VanDerWaalsContact CG1-CE2 3.45Å; V139-F143 HydrophobicContact CG1-CG 4.36Å; V139-F143 HydrophobicContact CG1-CZ 3.7Å; V139-F143 WeakPolarHBondContact O-CG 3.43Å; V139-F143 PolarHBondContact O-N 2.86Å
140	D	90.6	Very high	88.1	Confident	86 Å²	86	97.6 Å²	97.6	46%	0.46	48%	0.48	S	S	.	.	H	α-helix	trans	-63.3	-39.6	175.7	-74.1	-7.8	0	0	0	111.7	R124 D136 E137 F143 R144	R124-D140 IonicContact CZ-OD1 3.22Å; R124-D140 VanDerWaalsContact CZ-OD1 3.22Å; R124-D140 IonicContact NH1-OD1 2.82Å; R124-D140 PolarHBondContact NH1-OD1 3.42Å; R124-D140 IonicContact NH2-OD1 2.71Å; R124-D140 PolarHBondContact NH2-OD1 3.43Å; D136-D140 WeakPolarHBondContact O-CB 3.39Å; D136-D140 VanDerWaalsContact O-CG 3.24Å; D136-D140 PolarHBondContact O-N 3.44Å; E137-D140 PolarHBondContact O-N 3.41Å; D140-F143 PolarHBondContact O-N 3.47Å; D140-R144 PolarHBondContact O-N 3.13Å; D140-R144 VanDerWaalsContact O-N 3.13Å
141	E	89.2	Confident	88.6	Confident	149 Å²	149	100.2 Å²	100.2	70%	0.696	49%	0.488	S	S	*	.	H	α-helix	trans	-62.9	-44.4	172.7	-75.5	-172.1	172.8	0	0	111.8	E137 V139 F143 R144	E137-E141 WeakPolarHBondContact O-CG 3.39Å; E137-E141 PolarHBondContact O-N 3.13Å; V139-E141 VanDerWaalsContact C-N 3.32Å; V139-E141 PolarHBondContact O-N 3.26Å; E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 3.39Å; E141-R144 WeakPolarHBondContact O-CB 3.36Å; E141-R144 PolarHBondContact O-N 3.34Å
142	L	86.6	Confident	89	Confident	55 Å²	55	101.1 Å²	101.1	29%	0.288	48%	0.476	S	S	.	.	H	α-helix	trans	-58.8	-44.8	176.2	179.7	67.9	0	0	0	111.9	L127 E138 V139 R144 A146 F159	L127-L142 HydrophobicContact CD1-CD2 3.6Å; E138-L142 WeakPolarHBondContact O-CB 3.42Å; E138-L142 PolarHBondContact O-N 3.47Å; V139-L142 WeakPolarHBondContact O-CB 3.26Å; V139-L142 PolarHBondContact O-N 3.03Å; L142-R144 VanDerWaalsContact C-N 3.31Å; L142-R144 PolarHBondContact O-N 3.32Å; L142-A146 WeakPolarHBondContact O-CB 3.43Å; L142-A146 PolarHBondContact O-N 2.99Å; L142-F159 HydrophobicContact CD1-CE2 4.19Å; L142-F159 HydrophobicContact CD1-CZ 3.92Å
143	F	88.5	Confident	89.5	Confident	18 Å²	18	95.6 Å²	95.6	8%	0.079	45%	0.446	C	S	.	.	H	α-helix	trans	-75.6	-18.5	-176.3	-70.4	-11.4	0	0	0	114	E120 L123 R124 L127 V139 D140 E141 E145 A146 I148	E120-F143 HydrophobicContact CG-CD2 3.58Å; E120-F143 HydrophobicContact CG-CE2 3.29Å; E120-F143 HydrophobicContact CG-CG 4.43Å; E120-F143 HydrophobicContact CG-CZ 3.95Å; E120-F143 WeakPolarHBondContact OE1-CD2 3.49Å; L123-F143 HydrophobicContact CB-CZ 4.28Å; L123-F143 HydrophobicContact CD2-CE1 3.84Å; L123-F143 HydrophobicContact CD2-CZ 4.16Å; L123-F143 HydrophobicContact CG-CE1 4.25Å; L123-F143 HydrophobicContact CG-CZ 4.15Å; R124-F143 HydrophobicContact CB-CE2 4.13Å; R124-F143 HydrophobicContact CB-CZ 4.42Å; L127-F143 HydrophobicContact CD1-CE1 4.5Å; V139-F143 HydrophobicContact CG1-CD2 3.82Å; V139-F143 HydrophobicContact CG1-CE1 4.26Å; V139-F143 HydrophobicContact CG1-CE2 3.45Å; V139-F143 VanDerWaalsContact CG1-CE2 3.45Å; V139-F143 HydrophobicContact CG1-CG 4.36Å; V139-F143 HydrophobicContact CG1-CZ 3.7Å; V139-F143 WeakPolarHBondContact O-CG 3.43Å; V139-F143 PolarHBondContact O-N 2.86Å; D140-F143 PolarHBondContact O-N 3.47Å; E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 3.39Å; F143-E145 VanDerWaalsContact C-N 3.26Å; F143-E145 PolarHBondContact O-N 3.45Å; F143-A146 HydrophobicContact CD1-CB 4.39Å; F143-A146 PolarHBondContact O-N 3.09Å; F143-I148 HydrophobicContact CB-CD1 3.74Å; F143-I148 HydrophobicContact CD1-CD1 4.11Å; F143-I148 HydrophobicContact CD2-CD1 4.3Å; F143-I148 HydrophobicContact CG-CD1 3.81Å
144	R	87.1	Confident	89.7	Confident	220 Å²	220	87.2 Å²	87.2	83%	0.83	42%	0.415	S	S	*	.	H	α-helix	trans	-61.1	-35.2	178.1	-170.6	176.2	-179.2	173	-0.7	113.2	D140 E141 L142	D140-R144 PolarHBondContact O-N 3.13Å; D140-R144 VanDerWaalsContact O-N 3.13Å; E141-R144 WeakPolarHBondContact O-CB 3.36Å; E141-R144 PolarHBondContact O-N 3.34Å; L142-R144 VanDerWaalsContact C-N 3.31Å; L142-R144 PolarHBondContact O-N 3.32Å
145	E	81.5	Confident	90	Very high	172 Å²	172	84.9 Å²	84.9	80%	0.804	41%	0.406	S	S	*	.	H	α-helix	trans	-108.1	-2.2	-179.4	-60.5	-170.7	176.1	0	0	112.7	F143	F143-E145 VanDerWaalsContact C-N 3.26Å; F143-E145 PolarHBondContact O-N 3.45Å
146	A	87.4	Confident	90	Very high	15 Å²	15	82.3 Å²	82.3	12%	0.124	39%	0.389	C	S	.	.	S	Bend	trans	-72.7	147.4	-179.7	0	0	0	0	0	112.6	L142 F143 I148 F154	L142-A146 WeakPolarHBondContact O-CB 3.43Å; L142-A146 PolarHBondContact O-N 2.99Å; F143-A146 HydrophobicContact CD1-CB 4.39Å; F143-A146 PolarHBondContact O-N 3.09Å; A146-I148 VanDerWaalsContact C-N 3.27Å; A146-I148 HydrophobicContact CB-CD1 4.22Å; A146-I148 HydrophobicContact CB-CG1 4.02Å; A146-I148 PolarHBondContact O-N 2.94Å; A146-F154 HydrophobicContact CB-CD2 3.87Å; A146-F154 HydrophobicContact CB-CE2 3.7Å
147	P	90.6	Very high	90.1	Very high	29 Å²	29	80.4 Å²	80.4	19%	0.188	38%	0.381	C	S	.	.			trans	-76.2	78.3	173.7	32.9	-35.1	0	0	0	110.8	N155 E158 F159 I162	P147-N155 HydrophobicContact CB-CB 4.28Å; P147-N155 HydrophobicContact CG-CB 4.24Å; P147-N155 VanDerWaalsContact CG-O 3.31Å; P147-N155 WeakPolarHBondContact CG-O 3.45Å; P147-N155 WeakPolarHBondContact O-CB 3.49Å; P147-N155 PolarHBondContact O-N 3.49Å; P147-E158 HydrophobicContact CB-CB 4.28Å; P147-E158 HydrophobicContact CB-CG 4.29Å; P147-E158 HydrophobicContact CG-CB 4.15Å; P147-E158 HydrophobicContact CG-CG 4.47Å; P147-F159 HydrophobicContact CG-CB 3.82Å; P147-I162 HydrophobicContact CG-CD1 4.42Å
148	I	91.6	Very high	90	Very high	47 Å²	47	77.4 Å²	77.4	24%	0.241	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-96.2	129	174.8	-58.5	175.4	0	0	0	109.4	E120 F143 A146 N153 F154	E120-I148 HydrophobicContact CG-CD1 4.09Å; F143-I148 HydrophobicContact CB-CD1 3.74Å; F143-I148 HydrophobicContact CD1-CD1 4.11Å; F143-I148 HydrophobicContact CD2-CD1 4.3Å; F143-I148 HydrophobicContact CG-CD1 3.81Å; A146-I148 VanDerWaalsContact C-N 3.27Å; A146-I148 HydrophobicContact CB-CD1 4.22Å; A146-I148 HydrophobicContact CB-CG1 4.02Å; A146-I148 PolarHBondContact O-N 2.94Å; I148-N153 WeakPolarHBondContact CA-O 3.36Å; I148-F154 HydrophobicContact CG1-CB 4.49Å; I148-F154 HydrophobicContact CG1-CD2 4.28Å
149	D	89.3	Confident	90.1	Very high	58 Å²	58	74.7 Å²	74.7	31%	0.31	35%	0.354	S	S	.	.			trans	-78.1	175.1	178.8	81.4	0.5	0	0	0	112.6	K151 N152 N153	D149-K151 PolarHBondContact O-N 3.46Å; D149-K151 VanDerWaalsContact OD1-C 3.24Å; D149-K151 VanDerWaalsContact OD1-CA 3.26Å; D149-K151 WeakPolarHBondContact OD1-CA 3.47Å; D149-K151 WeakPolarHBondContact OD1-CB 3.41Å; D149-K151 PolarHBondContact OD1-N 3Å; D149-N152 PolarHBondContact O-N 3.34Å; D149-N152 VanDerWaalsContact O-N 3.13Å; D149-N152 PolarHBondContact OD1-N 3.25Å; D149-N152 VanDerWaalsContact OD1-N 3.12Å; D149-N153 PolarHBondContact N-O 3.43Å; D149-N153 WeakPolarHBondContact OD1-CB 3.48Å; D149-N153 PolarHBondContact OD1-N 3.33Å; D149-N153 PolarHBondContact OD1-ND2 2.71Å; D149-N153 PolarHBondContact OD2-ND2 2.82Å
150	K	88.2	Confident	90	Very high	214 Å²	214	74.7 Å²	74.7	93%	0.93	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-5.1	179	-64.3	-176.3	179.6	179.4	0	114.4
151	K	89.9	Confident	89.7	Confident	169 Å²	169	74.5 Å²	74.5	74%	0.735	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	13.5	179.4	-61.9	178.9	-179.2	178.1	0	111.2	D149 N153	D149-K151 PolarHBondContact O-N 3.46Å; D149-K151 VanDerWaalsContact OD1-C 3.24Å; D149-K151 VanDerWaalsContact OD1-CA 3.26Å; D149-K151 WeakPolarHBondContact OD1-CA 3.47Å; D149-K151 WeakPolarHBondContact OD1-CB 3.41Å; D149-K151 PolarHBondContact OD1-N 3Å; K151-N153 VanDerWaalsContact C-N 3.3Å; K151-N153 WeakPolarHBondContact CB-ND2 3.5Å; K151-N153 PolarHBondContact O-N 3.19Å
152	N	91.9	Very high	89.6	Confident	90 Å²	90	69.8 Å²	69.8	48%	0.481	33%	0.326	S	S	.	.	S	Bend	trans	60.2	37	-177.5	-55.8	-13	0	0	0	112.8	E120 D149	E120-N152 HydrophobicContact CB-CB 4.24Å; E120-N152 VanDerWaalsContact CB-O 3.26Å; E120-N152 WeakPolarHBondContact CB-O 3.46Å; E120-N152 PolarHBondContact N-O 3.05Å; D149-N152 PolarHBondContact O-N 3.34Å; D149-N152 VanDerWaalsContact O-N 3.13Å; D149-N152 PolarHBondContact OD1-N 3.25Å; D149-N152 VanDerWaalsContact OD1-N 3.12Å
153	N	93.4	Very high	89.4	Confident	41 Å²	41	71.1 Å²	71.1	22%	0.219	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.1	170.4	-56.6	-58.7	0	0	0	110.3	F117 I148 D149 K151	F117-N153 HydrophobicContact CB-CB 4.13Å; F117-N153 HydrophobicContact CD1-CB 4.02Å; F117-N153 HydrophobicContact CG-CB 4.43Å; I148-N153 WeakPolarHBondContact CA-O 3.36Å; D149-N153 PolarHBondContact N-O 3.43Å; D149-N153 WeakPolarHBondContact OD1-CB 3.48Å; D149-N153 PolarHBondContact OD1-N 3.33Å; D149-N153 PolarHBondContact OD1-ND2 2.71Å; D149-N153 PolarHBondContact OD2-ND2 2.82Å; K151-N153 VanDerWaalsContact C-N 3.3Å; K151-N153 WeakPolarHBondContact CB-ND2 3.5Å; K151-N153 PolarHBondContact O-N 3.19Å
154	F	94.4	Very high	88.9	Confident	1 Å²	1	72.6 Å²	72.6	0%	0.004	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118	174.1	174.5	-101.3	0	0	0	110.5	F107 F117 I118 L123 A146 I148 Y156 F159	F107-F154 HydrophobicContact CD1-CE1 4.29Å; F107-F154 AromaticContact CE1-CE1 3.92Å; F107-F154 HydrophobicContact CE1-CE1 3.92Å; F107-F154 HydrophobicContact CZ-CE1 4.15Å; F107-F154 HydrophobicContact CZ-CZ 4.39Å; F117-F154 VanDerWaalsContact CA-O 3.3Å; F117-F154 WeakPolarHBondContact CA-O 3.5Å; I118-F154 PolarHBondContact N-O 2.86Å; I118-F154 WeakPolarHBondContact O-CB 3.5Å; I118-F154 PolarHBondContact O-N 3.49Å; L123-F154 HydrophobicContact CD2-CB 4.12Å; L123-F154 HydrophobicContact CD2-CD1 3.49Å; L123-F154 VanDerWaalsContact CD2-CD1 3.49Å; L123-F154 HydrophobicContact CD2-CD2 4.09Å; L123-F154 HydrophobicContact CD2-CE1 3.74Å; L123-F154 HydrophobicContact CD2-CE2 4.33Å; L123-F154 HydrophobicContact CD2-CG 3.65Å; L123-F154 HydrophobicContact CD2-CZ 4.14Å; A146-F154 HydrophobicContact CB-CD2 3.87Å; A146-F154 HydrophobicContact CB-CE2 3.7Å; I148-F154 HydrophobicContact CG1-CB 4.49Å; I148-F154 HydrophobicContact CG1-CD2 4.28Å; F154-Y156 VanDerWaalsContact CE1-CB 3.49Å; F154-Y156 PolarHBondContact O-N 3.31Å; F154-F159 HydrophobicContact CE1-CB 4.24Å; F154-F159 HydrophobicContact CE1-CD1 4.41Å; F154-F159 HydrophobicContact CE1-CG 4.34Å; F154-F159 HydrophobicContact CE2-CB 3.95Å; F154-F159 HydrophobicContact CE2-CD1 4.37Å; F154-F159 AromaticContact CE2-CD2 3.73Å; F154-F159 HydrophobicContact CE2-CD2 3.73Å; F154-F159 HydrophobicContact CE2-CE2 4.3Å; F154-F159 AromaticContact CE2-CG 3.76Å; F154-F159 HydrophobicContact CE2-CG 3.76Å; F154-F159 HydrophobicContact CZ-CB 3.53Å; F154-F159 AromaticContact CZ-CD1 3.56Å; F154-F159 HydrophobicContact CZ-CD1 3.56Å; F154-F159 AromaticContact CZ-CD2 3.76Å; F154-F159 HydrophobicContact CZ-CD2 3.76Å; F154-F159 HydrophobicContact CZ-CE1 4.15Å; F154-F159 HydrophobicContact CZ-CE2 4.33Å; F154-F159 AromaticContact CZ-CG 3.32Å; F154-F159 HydrophobicContact CZ-CG 3.32Å
155	N	94.6	Very high	88.6	Confident	41 Å²	41	68.9 Å²	68.9	22%	0.219	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	91	175.4	-174.8	-24.4	0	0	0	110.2	F117 P147 V157 E158 F159	F117-N155 HydrophobicContact CD1-CB 3.9Å; F117-N155 HydrophobicContact CE1-CB 3.63Å; F117-N155 HydrophobicContact CZ-CB 4.45Å; P147-N155 HydrophobicContact CB-CB 4.28Å; P147-N155 HydrophobicContact CG-CB 4.24Å; P147-N155 VanDerWaalsContact CG-O 3.31Å; P147-N155 WeakPolarHBondContact CG-O 3.45Å; P147-N155 WeakPolarHBondContact O-CB 3.49Å; P147-N155 PolarHBondContact O-N 3.49Å; N155-V157 PolarHBondContact O-N 3.48Å; N155-V157 WeakPolarHBondContact OD1-CB 3.34Å; N155-V157 PolarHBondContact OD1-N 3.42Å; N155-E158 HydrophobicContact CB-CB 4.38Å; N155-E158 PolarHBondContact O-N 2.94Å; N155-E158 PolarHBondContact OD1-N 2.95Å; N155-F159 WeakPolarHBondContact O-CB 3.33Å; N155-F159 PolarHBondContact O-N 3.1Å
156	Y	93.2	Very high	88.1	Confident	12 Å²	12	62.6 Å²	62.6	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-67.9	-23.7	-177.3	68.2	-96.3	0	0	0	112.8	R104 F107 A108 D111 G116 I118 F154 F159 T160	R104-Y156 HydrophobicContact CG-CD2 4.04Å; R104-Y156 HydrophobicContact CG-CE2 3.78Å; F107-Y156 HydrophobicContact CB-CD1 4.21Å; F107-Y156 HydrophobicContact CB-CD2 3.44Å; F107-Y156 VanDerWaalsContact CB-CD2 3.44Å; F107-Y156 HydrophobicContact CB-CE2 4.04Å; F107-Y156 HydrophobicContact CB-CG 3.54Å; F107-Y156 HydrophobicContact CG-CD2 4.25Å; F107-Y156 HydrophobicContact CG-CG 4.1Å; A108-Y156 HydrophobicContact CB-CE2 4.45Å; D111-Y156 HydrophobicContact CB-CE1 3.97Å; D111-Y156 WeakPolarHBondContact OD2-CE1 3.28Å; D111-Y156 PolarHBondContact OD2-OH 3.46Å; G116-Y156 VanDerWaalsContact C-CD1 3.44Å; G116-Y156 VanDerWaalsContact O-CD1 3.3Å; G116-Y156 WeakPolarHBondContact O-CD1 3.4Å; G116-Y156 WeakPolarHBondContact O-CE1 3.21Å; G116-Y156 PolarHBondContact O-N 2.97Å; I118-Y156 HydrophobicContact CD1-CD1 3.89Å; I118-Y156 HydrophobicContact CD1-CE1 4.44Å; I118-Y156 HydrophobicContact CD1-CG 4.45Å; I118-Y156 HydrophobicContact CG1-CD1 3.85Å; I118-Y156 HydrophobicContact CG1-CE1 4.22Å; F154-Y156 VanDerWaalsContact CE1-CB 3.49Å; F154-Y156 PolarHBondContact O-N 3.31Å; Y156-F159 PolarHBondContact O-N 3.03Å; Y156-T160 WeakPolarHBondContact O-CB 3.49Å; Y156-T160 VanDerWaalsContact O-CG2 3.29Å; Y156-T160 WeakPolarHBondContact O-CG2 3.25Å; Y156-T160 PolarHBondContact O-N 3.28Å; Y156-T160 PolarHBondContact O-OG1 2.99Å
157	V	92	Very high	87.1	Confident	54 Å²	54	65.5 Å²	65.5	33%	0.327	34%	0.337	S	S	.	.	H	α-helix	trans	-67.8	-48.2	177.4	-178.9	0	0	0	0	110.7	N155 F159 T160 R161	N155-V157 PolarHBondContact O-N 3.48Å; N155-V157 WeakPolarHBondContact OD1-CB 3.34Å; N155-V157 PolarHBondContact OD1-N 3.42Å; V157-F159 VanDerWaalsContact C-N 3.35Å; V157-T160 PolarHBondContact O-OG1 3.06Å; V157-R161 PolarHBondContact O-N 3.48Å
158	E	90.9	Very high	85.6	Confident	64 Å²	64	71.6 Å²	71.6	30%	0.299	36%	0.36	S	S	.	.	H	α-helix	trans	-70.6	-35.5	176.4	-170.6	67.2	175.9	0	0	110.7	P147 N155 R161 I162	P147-E158 HydrophobicContact CB-CB 4.28Å; P147-E158 HydrophobicContact CB-CG 4.29Å; P147-E158 HydrophobicContact CG-CB 4.15Å; P147-E158 HydrophobicContact CG-CG 4.47Å; N155-E158 HydrophobicContact CB-CB 4.38Å; N155-E158 PolarHBondContact O-N 2.94Å; N155-E158 PolarHBondContact OD1-N 2.95Å; E158-R161 WeakPolarHBondContact O-CB 3.23Å; E158-R161 PolarHBondContact O-N 3.33Å; E158-R161 IonicContact OE1-NH1 2.97Å; E158-R161 PolarHBondContact OE1-NH1 3.49Å; E158-R161 VanDerWaalsContact OE1-NH1 3.16Å; E158-R161 IonicContact OE2-CZ 3.59Å; E158-R161 IonicContact OE2-NH1 3.45Å; E158-R161 PolarHBondContact OE2-NH1 2.76Å; E158-I162 HydrophobicContact CG-CD1 3.94Å; E158-I162 HydrophobicContact CG-CG1 4.37Å; E158-I162 VanDerWaalsContact O-CG1 3.28Å; E158-I162 WeakPolarHBondContact O-CG1 3.27Å; E158-I162 PolarHBondContact O-N 3.06Å
159	F	90.5	Very high	83.7	Confident	34 Å²	34	76.4 Å²	76.4	15%	0.149	39%	0.386	C	S	.	.	H	α-helix	trans	-60.8	-46.9	175.5	-178.9	-100	0	0	0	112	F107 L142 P147 F154 N155 Y156 V157 R161 I162 L163	F107-F159 HydrophobicContact CE2-CD1 4.19Å; F107-F159 HydrophobicContact CE2-CE1 4.4Å; F107-F159 HydrophobicContact CZ-CD1 4.36Å; F107-F159 HydrophobicContact CZ-CE1 4.34Å; L142-F159 HydrophobicContact CD1-CE2 4.19Å; L142-F159 HydrophobicContact CD1-CZ 3.92Å; P147-F159 HydrophobicContact CG-CB 3.82Å; F154-F159 HydrophobicContact CE1-CB 4.24Å; F154-F159 HydrophobicContact CE1-CD1 4.41Å; F154-F159 HydrophobicContact CE1-CG 4.34Å; F154-F159 HydrophobicContact CE2-CB 3.95Å; F154-F159 HydrophobicContact CE2-CD1 4.37Å; F154-F159 AromaticContact CE2-CD2 3.73Å; F154-F159 HydrophobicContact CE2-CD2 3.73Å; F154-F159 HydrophobicContact CE2-CE2 4.3Å; F154-F159 AromaticContact CE2-CG 3.76Å; F154-F159 HydrophobicContact CE2-CG 3.76Å; F154-F159 HydrophobicContact CZ-CB 3.53Å; F154-F159 AromaticContact CZ-CD1 3.56Å; F154-F159 HydrophobicContact CZ-CD1 3.56Å; F154-F159 AromaticContact CZ-CD2 3.76Å; F154-F159 HydrophobicContact CZ-CD2 3.76Å; F154-F159 HydrophobicContact CZ-CE1 4.15Å; F154-F159 HydrophobicContact CZ-CE2 4.33Å; F154-F159 AromaticContact CZ-CG 3.32Å; F154-F159 HydrophobicContact CZ-CG 3.32Å; N155-F159 WeakPolarHBondContact O-CB 3.33Å; N155-F159 PolarHBondContact O-N 3.1Å; Y156-F159 PolarHBondContact O-N 3.03Å; V157-F159 VanDerWaalsContact C-N 3.35Å; F159-R161 PolarHBondContact O-N 3.46Å; F159-I162 PolarHBondContact O-N 3.04Å; F159-L163 HydrophobicContact CE1-CD2 4.27Å; F159-L163 WeakPolarHBondContact O-CB 3.46Å; F159-L163 PolarHBondContact O-N 3.22Å
160	T	88.4	Confident	81.7	Confident	0 Å²	0	83.3 Å²	83.3	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-60.7	-36.5	178	47	0	0	0	0	112.3	I103 R104 F107 Y156 V157 L163 K164	I103-T160 HydrophobicContact CB-CG2 3.95Å; I103-T160 HydrophobicContact CG2-CG2 3.59Å; R104-T160 HydrophobicContact CB-CG2 4.16Å; F107-T160 HydrophobicContact CD2-CG2 4.14Å; F107-T160 HydrophobicContact CE2-CG2 4.36Å; Y156-T160 WeakPolarHBondContact O-CB 3.49Å; Y156-T160 VanDerWaalsContact O-CG2 3.29Å; Y156-T160 WeakPolarHBondContact O-CG2 3.25Å; Y156-T160 PolarHBondContact O-N 3.28Å; Y156-T160 PolarHBondContact O-OG1 2.99Å; V157-T160 PolarHBondContact O-OG1 3.06Å; T160-L163 PolarHBondContact O-N 3.41Å; T160-K164 WeakPolarHBondContact O-CG 3.41Å; T160-K164 PolarHBondContact O-N 3.24Å; T160-K164 VanDerWaalsContact O-N 3.13Å
161	R	85.5	Confident	79.5	Confident	81 Å²	81	80.2 Å²	80.2	31%	0.306	41%	0.407	S	S	.	.	H	α-helix	trans	-69.1	-45.2	176.7	-178.3	177.4	165.2	-125	-14.5	111.8	V157 E158 F159 L163 K164 H165	V157-R161 PolarHBondContact O-N 3.48Å; E158-R161 WeakPolarHBondContact O-CB 3.23Å; E158-R161 PolarHBondContact O-N 3.33Å; E158-R161 IonicContact OE1-NH1 2.97Å; E158-R161 PolarHBondContact OE1-NH1 3.49Å; E158-R161 VanDerWaalsContact OE1-NH1 3.16Å; E158-R161 IonicContact OE2-CZ 3.59Å; E158-R161 IonicContact OE2-NH1 3.45Å; E158-R161 PolarHBondContact OE2-NH1 2.76Å; F159-R161 PolarHBondContact O-N 3.46Å; R161-L163 VanDerWaalsContact C-N 3.3Å; R161-L163 PolarHBondContact O-N 3.39Å; R161-K164 PolarHBondContact O-N 2.98Å; R161-H165 WeakPolarHBondContact O-CB 3.22Å; R161-H165 PolarHBondContact O-N 3.46Å
162	I	85.5	Confident	77	Confident	50 Å²	50	83.8 Å²	83.8	26%	0.256	44%	0.435	S	S	.	.	H	α-helix	trans	-61	-41.9	175.2	-68	166.9	0	0	0	110.3	P147 E158 F159 K164 G166 A167	P147-I162 HydrophobicContact CG-CD1 4.42Å; E158-I162 HydrophobicContact CG-CD1 3.94Å; E158-I162 HydrophobicContact CG-CG1 4.37Å; E158-I162 VanDerWaalsContact O-CG1 3.28Å; E158-I162 WeakPolarHBondContact O-CG1 3.27Å; E158-I162 PolarHBondContact O-N 3.06Å; F159-I162 PolarHBondContact O-N 3.04Å; I162-K164 VanDerWaalsContact C-N 3.33Å; I162-K164 PolarHBondContact O-N 2.77Å; I162-G166 CarbonylContact O-C 3.55Å; I162-G166 WeakPolarHBondContact O-CA 3.28Å; I162-G166 PolarHBondContact O-N 2.61Å; I162-A167 HydrophobicContact CG2-CB 4.35Å
163	L	82.1	Confident	76.3	Confident	83 Å²	83	83.5 Å²	83.5	44%	0.435	43%	0.432	S	S	.	.	H	α-helix	trans	-63	-36.6	179.4	-174.3	65.7	0	0	0	112.6	I103 F159 T160 R161	I103-L163 HydrophobicContact CD1-CD2 4Å; F159-L163 HydrophobicContact CE1-CD2 4.27Å; F159-L163 WeakPolarHBondContact O-CB 3.46Å; F159-L163 PolarHBondContact O-N 3.22Å; T160-L163 PolarHBondContact O-N 3.41Å; R161-L163 VanDerWaalsContact C-N 3.3Å; R161-L163 PolarHBondContact O-N 3.39Å
164	K	79.4	Confident	75.4	Confident	49 Å²	49	85.7 Å²	85.7	21%	0.213	44%	0.443	C	S	.	.	H	α-helix	trans	-91.9	-27.2	-178.3	-65	-62.1	-67.5	-165	0	114.4	T97 D98 E100 I103 T160 R161 I162	T97-K164 PolarHBondContact O-NZ 3.3Å; T97-K164 VanDerWaalsContact O-NZ 3.11Å; T97-K164 PolarHBondContact OG1-NZ 3.41Å; D98-K164 WeakPolarHBondContact O-CE 3.25Å; D98-K164 PolarHBondContact O-NZ 3.42Å; E100-K164 HydrophobicContact CB-CG 4.01Å; E100-K164 HydrophobicContact CG-CG 4.42Å; I103-K164 HydrophobicContact CD1-CD 4.19Å; T160-K164 WeakPolarHBondContact O-CG 3.41Å; T160-K164 PolarHBondContact O-N 3.24Å; T160-K164 VanDerWaalsContact O-N 3.13Å; R161-K164 PolarHBondContact O-N 2.98Å; I162-K164 VanDerWaalsContact C-N 3.33Å; I162-K164 PolarHBondContact O-N 2.77Å
165	H	79.8	Confident	74.3	Confident	142 Å²	142	90.4 Å²	90.4	66%	0.657	47%	0.468	S	S	*	.	H	α-helix	trans	-124.2	-2.4	-171.5	-60.8	-64.1	0	0	0	114.6	E100 R161	E100-H165 IonicContact OE2-CD2 2.75Å; E100-H165 IonicContact OE2-NE2 2.77Å; E100-H165 PolarHBondContact OE2-NE2 3.01Å; R161-H165 WeakPolarHBondContact O-CB 3.22Å; R161-H165 PolarHBondContact O-N 3.46Å
166	G	71.4	Confident	73.1	Confident	41 Å²	41	93.4 Å²	93.4	42%	0.423	48%	0.482	S	S	.	.			trans	80.1	165.3	-172.6	0	0	0	0	0	113	I162 K168	I162-G166 CarbonylContact O-C 3.55Å; I162-G166 WeakPolarHBondContact O-CA 3.28Å; I162-G166 PolarHBondContact O-N 2.61Å; G166-K168 PolarHBondContact O-N 2.83Å
167	A	67.4	Low	71.9	Confident	76 Å²	76	98.4 Å²	98.4	63%	0.628	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-67.7	131.4	173.5	0	0	0	0	0	109.7	I162 D169	I162-A167 HydrophobicContact CG2-CB 4.35Å; A167-D169 PolarHBondContact O-N 3.15Å
168	K	58	Low	70.5	Confident	156 Å²	156	101.4 Å²	101.4	68%	0.678	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-70.4	123.2	165.2	-87.3	-163.5	174.8	176.3	0	108.1	G166 K170	G166-K168 PolarHBondContact O-N 2.83Å; K168-K170 PolarHBondContact O-N 3.35Å
169	D	52.2	Low	69.1	Low	149 Å²	149	104.1 Å²	104.1	80%	0.797	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-54.4	126	164.8	-70.6	-40.2	0	0	0	108.4	A167 D171	A167-D169 PolarHBondContact O-N 3.15Å; D169-D171 PolarHBondContact O-N 3.31Å
170	K	46.6	Very low	67.4	Low	202 Å²	202	109.5 Å²	109.5	88%	0.878	57%	0.568	S	S	*	*	S	Bend	trans	-79.2	59	176.5	-72.3	-176.3	178.9	173	0	109.8	K168	K168-K170 PolarHBondContact O-N 3.35Å
171	D	42.3	Very low	65.7	Low	149 Å²	149	118.6 Å²	118.6	80%	0.797	62%	0.615	S	S	*	*			trans	-136.4	79	171	-74.3	-45.7	0	0	0	108.8	D169	D169-D171 PolarHBondContact O-N 3.31Å
172	D	37.9	Very low	63.9	Low	245 Å²	245	122 Å²	122	100%	1.31	64%	0.643	S	S	*	*			trans	-138.3	0	155.9	-94.2	-29.9	0	0	0	108.3

Retrieved 172 of 172 residues in 70.2 ms (Link to these results)

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