A0A077YZC4_TRITR Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A077YZC4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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	45.1	Very low	44.5	Very low	244 Å²	244	150.4 Å²	150.4	100%	1.202	86%	0.862	S	S	*	*				0	97	0	-66.7	178.8	-172.6	0	0	107.5
2	T	46.1	Very low	46	Very low	145 Å²	145	153.3 Å²	153.3	89%	0.89	86%	0.863	S	S	*	*			trans	-142.4	109	175	30.4	0	0	0	0	106.8
3	S	44.8	Very low	48.4	Very low	121 Å²	121	156.2 Å²	156.2	85%	0.846	87%	0.865	S	S	*	*			trans	-77.2	122.2	177.7	52.8	0	0	0	0	109.4	A5	S3-A5 PolarHBondContact O-N 3.43Å
4	N	41.3	Very low	51.1	Low	166 Å²	166	147.5 Å²	147.5	89%	0.888	82%	0.816	S	S	*	*			trans	-80.7	110.5	166.3	-104.9	-10.7	0	0	0	108.2	T6	N4-T6 PolarHBondContact O-N 3.36Å
5	A	49.4	Very low	53.5	Low	96 Å²	96	141.9 Å²	141.9	79%	0.793	79%	0.789	S	S	*	*			trans	-72.8	113	167.9	0	0	0	0	0	109.2	S3 K7	S3-A5 PolarHBondContact O-N 3.43Å; A5-K7 PolarHBondContact O-N 3.21Å
6	T	43.8	Very low	55.7	Low	140 Å²	140	136.1 Å²	136.1	86%	0.859	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-66.5	116	170.4	17.6	0	0	0	0	109.8	N4 K8	N4-T6 PolarHBondContact O-N 3.36Å; T6-K8 PolarHBondContact O-N 3.18Å
7	K	46.1	Very low	57.6	Low	203 Å²	203	129.4 Å²	129.4	88%	0.883	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-59.6	122.3	167.6	-88.8	179.3	171.9	178.6	0	109.2	A5	A5-K7 PolarHBondContact O-N 3.21Å
8	K	36.4	Very low	59.5	Low	197 Å²	197	126.9 Å²	126.9	86%	0.857	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-59.3	136.4	165.9	-87.2	179.9	173.2	179.6	0	109.4	T6	T6-K8 PolarHBondContact O-N 3.18Å
9	P	40.5	Very low	61.3	Low	120 Å²	120	120.2 Å²	120.2	78%	0.779	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-63.7	136.6	171.6	27.1	-31.5	0	0	0	109.3
10	S	43.5	Very low	63	Low	97 Å²	97	114.3 Å²	114.3	68%	0.678	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-57.4	140.9	168.9	47.6	0	0	0	0	109.7	Q12	S10-Q12 PolarHBondContact O-N 3.2Å
11	P	53.1	Low	64.5	Low	125 Å²	125	109 Å²	109	81%	0.812	60%	0.602	S	S	*	*			trans	-58.2	114.4	177.8	23.7	-31.9	0	0	0	109.1	Q13	P11-Q13 PolarHBondContact O-N 3.18Å
12	Q	62.2	Low	66.9	Low	185 Å²	185	97.4 Å²	97.4	86%	0.864	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-61.1	121.5	172.8	-77.8	173.6	-17.6	0	0	107.6	S10 L14	S10-Q12 PolarHBondContact O-N 3.2Å; Q12-L14 PolarHBondContact O-N 3.06Å
13	Q	77.7	Confident	69.2	Low	191 Å²	191	90.5 Å²	90.5	89%	0.893	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-63.8	128.7	175	-70.7	179.5	-12.2	0	0	108.4	P11	P11-Q13 PolarHBondContact O-N 3.18Å
14	L	85.4	Confident	71.6	Confident	35 Å²	35	86 Å²	86	18%	0.183	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-64.4	144.5	175.6	-67.2	-175.7	0	0	0	110.1	Q12 V16 R56 E63 Q65	Q12-L14 PolarHBondContact O-N 3.06Å; L14-V16 PolarHBondContact O-N 3.3Å; L14-R56 HydrophobicContact CD1-CG 3.99Å; L14-R56 VanDerWaalsContact CD1-NH2 3.27Å; L14-E63 HydrophobicContact CD1-CB 3.95Å; L14-E63 HydrophobicContact CD2-CB 3.64Å; L14-E63 HydrophobicContact CG-CB 4.47Å; L14-Q65 HydrophobicContact CB-CG 4.26Å; L14-Q65 HydrophobicContact CD1-CG 4.26Å
15	P	86.6	Confident	74	Confident	63 Å²	63	79 Å²	79	41%	0.409	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-59.5	135.5	172.2	26.4	-33.5	0	0	0	110	C64 Q65	P15-C64 HydrophobicContact CG-CB 4.04Å; P15-Q65 PolarHBondContact O-N 2.75Å
16	V	88.9	Confident	76.1	Confident	49 Å²	49	75.7 Å²	75.7	30%	0.297	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.1	-179.4	-175.3	0	0	0	0	108.7	L14 Q65 D67	L14-V16 PolarHBondContact O-N 3.3Å; V16-Q65 CarbonylContact C-O 3.52Å; V16-Q65 VanDerWaalsContact CA-O 3.31Å; V16-Q65 WeakPolarHBondContact CA-O 3.39Å; V16-Q65 HydrophobicContact CG1-CB 4.42Å; V16-Q65 HydrophobicContact CG2-CB 4.15Å; V16-D67 HydrophobicContact CG1-CB 3.65Å
17	H	88.5	Confident	78.5	Confident	22 Å²	22	69.1 Å²	69.1	10%	0.102	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.5	179.4	-63.5	-74.5	0	0	0	111.9	Q65 D67 E89 I178 F179	H17-Q65 PolarHBondContact N-O 3.39Å; H17-D67 PolarHBondContact O-N 3.28Å; H17-E89 WeakPolarHBondContact CA-OE2 2.95Å; H17-E89 IonicContact ND1-OE1 3.06Å; H17-E89 IonicContact ND1-OE2 3.9Å; H17-I178 HydrophobicContact CB-CG2 4.48Å; H17-F179 AromaticContact CD2-CE1 3.51Å; H17-F179 AromaticContact CD2-CE2 3.82Å; H17-F179 AromaticContact CD2-CZ 3.02Å; H17-F179 WeakPolarHBondContact CD2-CZ 3.26Å; H17-F179 AromaticContact CE1-CE1 3.67Å; H17-F179 AromaticContact CE1-CZ 3.94Å; H17-F179 AromaticContact CG-CZ 3.88Å; H17-F179 AromaticContact NE2-CD1 3.89Å; H17-F179 AromaticContact NE2-CE1 2.96Å; H17-F179 WeakPolarHBondContact NE2-CE1 3.19Å; H17-F179 AromaticContact NE2-CZ 3.08Å; H17-F179 WeakPolarHBondContact NE2-CZ 3.32Å
18	K	92.1	Very high	80.9	Confident	85 Å²	85	60.1 Å²	60.1	37%	0.37	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113.4	-175.8	-68.3	-177.8	179	-178.1	0	111.5	D67 E89 G90	K18-D67 CarbonylContact C-O 3.59Å; K18-D67 WeakPolarHBondContact CA-O 3.47Å; K18-D67 HydrophobicContact CG-CB 4.25Å; K18-E89 PolarHBondContact N-OE2 2.82Å; K18-E89 PolarHBondContact O-N 2.81Å; K18-G90 PolarHBondContact O-N 3Å
19	V	93.5	Very high	83.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.1	176.3	-179.7	0	0	0	0	108.9	I66 D67 I68 L69 G90 L92 F174 I178	V19-I66 HydrophobicContact CB-CD1 4.35Å; V19-I66 HydrophobicContact CB-CG1 4.44Å; V19-I66 HydrophobicContact CG2-CD1 3.79Å; V19-I66 HydrophobicContact CG2-CG1 3.82Å; V19-D67 PolarHBondContact N-O 2.62Å; V19-I68 HydrophobicContact CB-CG1 4.49Å; V19-I68 CarbonylContact O-C 3.42Å; V19-I68 WeakPolarHBondContact O-CA 3.37Å; V19-L69 PolarHBondContact O-N 3.14Å; V19-G90 WeakPolarHBondContact CA-O 3.35Å; V19-L92 HydrophobicContact CG1-CD1 4.12Å; V19-L92 HydrophobicContact CG1-CG 3.83Å; V19-F174 HydrophobicContact CB-CD1 4.43Å; V19-F174 HydrophobicContact CB-CE1 4.29Å; V19-F174 HydrophobicContact CG1-CD1 3.82Å; V19-F174 HydrophobicContact CG1-CE1 3.72Å; V19-F174 HydrophobicContact CG2-CD1 3.73Å; V19-F174 HydrophobicContact CG2-CE1 3.74Å; V19-I178 HydrophobicContact CG2-CD1 3.95Å
20	I	94.5	Very high	86.2	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.7	-179.1	-44.6	-60	0	0	0	109.3	V22 L69 T71 Y85 G90 F91 L92	I20-V22 HydrophobicContact CG2-CG1 3.99Å; I20-L69 HydrophobicContact CD1-CB 3.62Å; I20-L69 HydrophobicContact CD1-CD2 3.83Å; I20-L69 HydrophobicContact CD1-CG 4.37Å; I20-L69 HydrophobicContact CG2-CD2 4.32Å; I20-T71 HydrophobicContact CG2-CG2 3.97Å; I20-Y85 HydrophobicContact CG2-CD1 4.49Å; I20-G90 PolarHBondContact N-O 3.34Å; I20-F91 HydrophobicContact CB-CD1 3.78Å; I20-F91 HydrophobicContact CB-CE1 3.88Å; I20-F91 HydrophobicContact CG1-CD1 4.21Å; I20-F91 HydrophobicContact CG1-CE1 3.85Å; I20-F91 HydrophobicContact CG2-CD1 4.43Å; I20-F91 HydrophobicContact CG2-CE1 4.44Å; I20-F91 WeakPolarHBondContact O-CA 3.45Å; I20-L92 PolarHBondContact O-N 3.38Å
21	M	95.1	Very high	88.7	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.02	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.4	169.7	-58.3	-61.8	-77.5	0	0	108.8	K29 L32 I68 L69 T71 L92 V94	M21-K29 HydrophobicContact CB-CB 4.07Å; M21-K29 HydrophobicContact CB-CD 4.14Å; M21-K29 HydrophobicContact CB-CG 4.32Å; M21-K29 HydrophobicContact CE-CB 4.3Å; M21-L32 HydrophobicContact CE-CB 4.05Å; M21-L32 HydrophobicContact CE-CD1 4.27Å; M21-I68 HydrophobicContact CG-CG2 3.67Å; M21-I68 HydrophobicContact SD-CG2 4.13Å; M21-L69 PolarHBondContact N-O 3.04Å; M21-T71 VanDerWaalsContact O-CG2 3.31Å; M21-T71 WeakPolarHBondContact O-CG2 3.34Å; M21-T71 PolarHBondContact O-OG1 2.84Å; M21-L92 HydrophobicContact CE-CB 4.43Å; M21-L92 HydrophobicContact CE-CD1 4.36Å; M21-L92 HydrophobicContact SD-CB 3.72Å; M21-L92 HydrophobicContact SD-CD1 3.58Å; M21-L92 VanDerWaalsContact SD-CD1 3.58Å; M21-L92 HydrophobicContact SD-CG 4.11Å; M21-V94 HydrophobicContact CE-CG2 3.77Å
22	V	95.2	Very high	90.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	156	174.9	-53.3	0	0	0	0	110.3	I20 Y85 F91 L92 C93 V94 F109 I113	I20-V22 HydrophobicContact CG2-CG1 3.99Å; V22-Y85 HydrophobicContact CG1-CD1 4.4Å; V22-Y85 HydrophobicContact CG1-CE1 3.5Å; V22-Y85 VanDerWaalsContact CG1-CE1 3.5Å; V22-F91 HydrophobicContact CG1-CD1 4.12Å; V22-L92 PolarHBondContact N-O 3.1Å; V22-C93 HydrophobicContact CG2-CB 3.9Å; V22-V94 PolarHBondContact O-N 3.1Å; V22-F109 HydrophobicContact CB-CD1 4.16Å; V22-F109 HydrophobicContact CB-CG 4.43Å; V22-F109 HydrophobicContact CG2-CB 4.16Å; V22-F109 HydrophobicContact CG2-CG 4.47Å; V22-I113 HydrophobicContact CG1-CD1 4.37Å; V22-I113 HydrophobicContact CG2-CD1 3.97Å
23	G	95.8	Very high	92.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.168	C	C	.	.			trans	138.3	160.6	-174.4	0	0	0	0	0	111.8	K29 G73 V94 F109	G23-K29 PolarHBondContact O-NZ 3.26Å; G23-G73 WeakPolarHBondContact O-CA 3.46Å; G23-V94 VanDerWaalsContact CA-O 3.29Å; G23-V94 WeakPolarHBondContact CA-O 3.37Å; G23-F109 VanDerWaalsContact CA-CE2 3.41Å
24	S	94	Very high	93	Very high	26 Å²	26	21.2 Å²	21.2	18%	0.182	13%	0.134	C	C	.	.			trans	-58.4	167.2	-177.9	-56.9	0	0	0	0	113.2	V27 K29 A105	S24-V27 VanDerWaalsContact O-CG2 3.27Å; S24-V27 WeakPolarHBondContact O-CG2 3.42Å; S24-K29 PolarHBondContact O-NZ 3.17Å; S24-A105 WeakPolarHBondContact OG-CB 3.23Å
25	G	92.2	Very high	93.4	Very high	19 Å²	19	20 Å²	20	20%	0.196	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	149	170.2	0	0	0	0	0	111.5	V27	G25-V27 PolarHBondContact O-N 3.23Å
26	G	92.3	Very high	93.7	Very high	27 Å²	27	17.2 Å²	17.2	28%	0.278	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-2.4	173.7	0	0	0	0	0	117.3	G28 Y45 K131	G26-G28 PolarHBondContact O-N 3.38Å; G26-Y45 PolarHBondContact N-OH 2.81Å; G26-K131 VanDerWaalsContact O-CE 3.24Å; G26-K131 WeakPolarHBondContact O-CE 3.27Å; G26-K131 PolarHBondContact O-NZ 3.41Å
27	V	95.6	Very high	93.8	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.006	10%	0.098	C	C	.	.	S	Bend	trans	-70.9	-16.1	179.2	-55.9	0	0	0	0	113.6	S24 G25 K29 V94 N130	S24-V27 VanDerWaalsContact O-CG2 3.27Å; S24-V27 WeakPolarHBondContact O-CG2 3.42Å; G25-V27 PolarHBondContact O-N 3.23Å; V27-K29 HydrophobicContact CG2-CD 4.39Å; V27-K29 HydrophobicContact CG2-CG 3.69Å; V27-V94 HydrophobicContact CB-CG1 4.33Å; V27-V94 HydrophobicContact CG2-CB 4Å; V27-V94 HydrophobicContact CG2-CG1 3.85Å; V27-N130 PolarHBondContact O-ND2 2.87Å
28	G	95.3	Very high	94	Very high	15 Å²	15	20.5 Å²	20.5	16%	0.155	12%	0.117	C	C	.	.	S	Bend	trans	99.8	28.4	176.7	0	0	0	0	0	115.4	G26 A31 L32	G26-G28 PolarHBondContact O-N 3.38Å; G28-A31 PolarHBondContact O-N 2.89Å; G28-L32 WeakPolarHBondContact O-CB 3.42Å; G28-L32 WeakPolarHBondContact O-CG 3.4Å; G28-L32 PolarHBondContact O-N 3.05Å
29	K	94.9	Very high	94	Very high	7 Å²	7	21.8 Å²	21.8	3%	0.03	13%	0.128	C	C	.	.	H	α-helix	trans	-54.4	-56.1	174.3	-59.5	-174.5	-59.3	-76.2	0	111.7	M21 G23 S24 V27 A31 L32 T33 D70 T71 A72 V94	M21-K29 HydrophobicContact CB-CB 4.07Å; M21-K29 HydrophobicContact CB-CD 4.14Å; M21-K29 HydrophobicContact CB-CG 4.32Å; M21-K29 HydrophobicContact CE-CB 4.3Å; G23-K29 PolarHBondContact O-NZ 3.26Å; S24-K29 PolarHBondContact O-NZ 3.17Å; V27-K29 HydrophobicContact CG2-CD 4.39Å; V27-K29 HydrophobicContact CG2-CG 3.69Å; K29-A31 PolarHBondContact O-N 3.13Å; K29-L32 PolarHBondContact O-N 3.42Å; K29-T33 PolarHBondContact O-N 2.86Å; K29-T33 PolarHBondContact O-OG1 2.92Å; K29-T33 VanDerWaalsContact O-OG1 3.04Å; K29-D70 WeakPolarHBondContact CB-OD1 3.37Å; K29-T71 WeakPolarHBondContact CE-O 3.49Å; K29-A72 PolarHBondContact NZ-O 3.44Å; K29-V94 HydrophobicContact CG-CB 4.26Å; K29-V94 HydrophobicContact CG-CG2 4.38Å
30	S	94.2	Very high	93.9	Very high	24 Å²	24	27 Å²	27	17%	0.168	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-42.8	176.8	-46.6	0	0	0	0	112.8	L32 T33 L34 T48 D70	S30-L32 VanDerWaalsContact C-N 3.33Å; S30-L32 PolarHBondContact O-N 2.92Å; S30-T33 PolarHBondContact O-N 3.28Å; S30-L34 WeakPolarHBondContact O-CB 3.37Å; S30-L34 VanDerWaalsContact O-CG 3.29Å; S30-L34 WeakPolarHBondContact O-CG 3.34Å; S30-L34 PolarHBondContact O-N 2.65Å; S30-T48 VanDerWaalsContact OG-CG2 3.31Å; S30-T48 WeakPolarHBondContact OG-CG2 3.42Å; S30-T48 PolarHBondContact OG-OG1 3.33Å; S30-D70 WeakPolarHBondContact CA-OD2 3.35Å; S30-D70 WeakPolarHBondContact CB-OD2 3.26Å; S30-D70 PolarHBondContact N-OD1 2.96Å; S30-D70 PolarHBondContact OG-OD2 2.85Å
31	A	95.1	Very high	93.7	Very high	20 Å²	20	30.6 Å²	30.6	17%	0.165	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-40.6	178.2	0	0	0	0	0	111.9	G28 K29 Q35 F41 A161	G28-A31 PolarHBondContact O-N 2.89Å; K29-A31 PolarHBondContact O-N 3.13Å; A31-Q35 WeakPolarHBondContact O-CB 3.35Å; A31-Q35 PolarHBondContact O-N 2.93Å; A31-F41 HydrophobicContact CB-CD2 4.31Å; A31-F41 HydrophobicContact CB-CE2 4.21Å; A31-A161 HydrophobicContact CB-CB 3.6Å
32	L	95.5	Very high	93.2	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-44.4	173.6	-73.6	172.1	0	0	0	111.8	M21 G28 K29 S30 Q35 F36 V94 V128 N130 T159 A161 V167	M21-L32 HydrophobicContact CE-CB 4.05Å; M21-L32 HydrophobicContact CE-CD1 4.27Å; G28-L32 WeakPolarHBondContact O-CB 3.42Å; G28-L32 WeakPolarHBondContact O-CG 3.4Å; G28-L32 PolarHBondContact O-N 3.05Å; K29-L32 PolarHBondContact O-N 3.42Å; S30-L32 VanDerWaalsContact C-N 3.33Å; S30-L32 PolarHBondContact O-N 2.92Å; L32-Q35 PolarHBondContact O-N 2.97Å; L32-F36 WeakPolarHBondContact O-CB 3.14Å; L32-F36 PolarHBondContact O-N 3.14Å; L32-V94 HydrophobicContact CD1-CG1 3.86Å; L32-V94 HydrophobicContact CD1-CG2 4.24Å; L32-V128 HydrophobicContact CD1-CG1 4.27Å; L32-N130 HydrophobicContact CD1-CB 4.19Å; L32-T159 HydrophobicContact CD2-CG2 4.46Å; L32-A161 HydrophobicContact CD2-CB 3.95Å; L32-A161 HydrophobicContact CG-CB 4.2Å; L32-V167 HydrophobicContact CD2-CG2 3.77Å
33	T	94.1	Very high	92.5	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-52.6	178	-58.5	0	0	0	0	110.7	K29 S30 Q35 F36 M37 Y53 I68 D70	K29-T33 PolarHBondContact O-N 2.86Å; K29-T33 PolarHBondContact O-OG1 2.92Å; K29-T33 VanDerWaalsContact O-OG1 3.04Å; S30-T33 PolarHBondContact O-N 3.28Å; T33-Q35 PolarHBondContact O-N 3.04Å; T33-F36 PolarHBondContact O-N 2.68Å; T33-M37 HydrophobicContact CG2-CG 4.11Å; T33-M37 VanDerWaalsContact O-CB 3.25Å; T33-M37 WeakPolarHBondContact O-CB 3.02Å; T33-M37 WeakPolarHBondContact O-CG 3.48Å; T33-M37 PolarHBondContact O-N 3.18Å; T33-Y53 HydrophobicContact CG2-CD2 3.39Å; T33-Y53 HydrophobicContact CG2-CE2 3.9Å; T33-Y53 HydrophobicContact CG2-CG 3.77Å; T33-I68 HydrophobicContact CG2-CB 4.3Å; T33-I68 HydrophobicContact CG2-CG2 3.88Å; T33-D70 HydrophobicContact CG2-CB 4.45Å
34	L	93.6	Very high	91.7	Very high	35 Å²	35	48.6 Å²	48.6	18%	0.183	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-41.7	179.5	-65.7	175.3	0	0	0	112	S30 F36 M37 Y38 E40 Y53	S30-L34 WeakPolarHBondContact O-CB 3.37Å; S30-L34 VanDerWaalsContact O-CG 3.29Å; S30-L34 WeakPolarHBondContact O-CG 3.34Å; S30-L34 PolarHBondContact O-N 2.65Å; L34-F36 VanDerWaalsContact C-N 3.32Å; L34-F36 PolarHBondContact O-N 3.05Å; L34-M37 PolarHBondContact O-N 3.18Å; L34-Y38 HydrophobicContact CD2-CD2 3.82Å; L34-Y38 HydrophobicContact CD2-CE2 3.92Å; L34-Y38 PolarHBondContact O-N 3.43Å; L34-E40 CarbonylContact C-O 3.46Å; L34-Y53 HydrophobicContact CD2-CE1 3.89Å
35	Q	94.9	Very high	90.8	Very high	9 Å²	9	53.9 Å²	53.9	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-61.6	-43.2	177.4	-175.6	63.3	-71.3	0	0	111.3	A31 L32 T33 D39 E40 A161 R164 V167	A31-Q35 WeakPolarHBondContact O-CB 3.35Å; A31-Q35 PolarHBondContact O-N 2.93Å; L32-Q35 PolarHBondContact O-N 2.97Å; T33-Q35 PolarHBondContact O-N 3.04Å; Q35-D39 WeakPolarHBondContact O-CA 3.45Å; Q35-D39 PolarHBondContact O-N 3.04Å; Q35-D39 VanDerWaalsContact O-N 3.15Å; Q35-D39 VanDerWaalsContact OE1-CA 3.29Å; Q35-D39 PolarHBondContact OE1-OD1 2.93Å; Q35-E40 VanDerWaalsContact CA-O 3.24Å; Q35-E40 WeakPolarHBondContact CA-O 3.36Å; Q35-E40 PolarHBondContact N-O 3.14Å; Q35-A161 WeakPolarHBondContact CG-O 3.45Å; Q35-A161 PolarHBondContact NE2-O 2.78Å; Q35-R164 HydrophobicContact CG-CB 4.2Å; Q35-R164 HydrophobicContact CG-CG 4.03Å; Q35-R164 PolarHBondContact O-NH1 2.81Å; Q35-V167 HydrophobicContact CB-CG1 4.22Å; Q35-V167 HydrophobicContact CG-CB 4.38Å; Q35-V167 HydrophobicContact CG-CG1 4.07Å; Q35-V167 HydrophobicContact CG-CG2 4.05Å
36	F	93	Very high	90.1	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-66	-44.1	174.8	178	-105.6	0	0	0	112.3	L32 T33 L34 K55 L57 I66 I68 V167 T171	L32-F36 WeakPolarHBondContact O-CB 3.14Å; L32-F36 PolarHBondContact O-N 3.14Å; T33-F36 PolarHBondContact O-N 2.68Å; L34-F36 VanDerWaalsContact C-N 3.32Å; L34-F36 PolarHBondContact O-N 3.05Å; F36-K55 HydrophobicContact CD1-CD 4.39Å; F36-K55 HydrophobicContact CE1-CB 4.43Å; F36-K55 HydrophobicContact CE1-CD 3.9Å; F36-K55 HydrophobicContact CZ-CD 4.24Å; F36-K55 PolarHBondContact O-NZ 3.17Å; F36-L57 HydrophobicContact CZ-CD1 4.26Å; F36-L57 HydrophobicContact CZ-CD2 3.79Å; F36-I66 HydrophobicContact CE1-CG2 3.94Å; F36-I68 HydrophobicContact CD1-CD1 3.63Å; F36-I68 HydrophobicContact CE1-CD1 4.02Å; F36-V167 HydrophobicContact CB-CG1 3.78Å; F36-T171 HydrophobicContact CD1-CG2 3.9Å; F36-T171 HydrophobicContact CD2-CG2 4.05Å; F36-T171 WeakPolarHBondContact CD2-OG1 3.37Å; F36-T171 HydrophobicContact CE1-CG2 3.44Å; F36-T171 VanDerWaalsContact CE1-CG2 3.44Å; F36-T171 VanDerWaalsContact CE2-CB 3.44Å; F36-T171 HydrophobicContact CE2-CG2 3.6Å; F36-T171 HydrophobicContact CG-CG2 4.17Å; F36-T171 HydrophobicContact CZ-CG2 3.26Å
37	M	91.6	Very high	89.5	Confident	15 Å²	15	63.9 Å²	63.9	7%	0.074	32%	0.317	C	S	.	.	H	α-helix	trans	-71.5	-49.5	-173.5	-72.4	-62	-53.2	0	0	112.3	T33 L34 Y53 R54 K55	T33-M37 HydrophobicContact CG2-CG 4.11Å; T33-M37 VanDerWaalsContact O-CB 3.25Å; T33-M37 WeakPolarHBondContact O-CB 3.02Å; T33-M37 WeakPolarHBondContact O-CG 3.48Å; T33-M37 PolarHBondContact O-N 3.18Å; L34-M37 PolarHBondContact O-N 3.18Å; M37-Y53 HydrophobicContact CG-CD1 4.41Å; M37-Y53 HydrophobicContact CG-CG 4.26Å; M37-R54 WeakPolarHBondContact CE-O 3.48Å; M37-K55 HydrophobicContact CE-CB 3.76Å; M37-K55 PolarHBondContact O-NZ 3.18Å; M37-K55 HydrophobicContact SD-CB 3.67Å; M37-K55 HydrophobicContact SD-CD 4.25Å
38	Y	92.2	Very high	88.4	Confident	125 Å²	125	65 Å²	65	49%	0.49	32%	0.324	S	S	.	.	H	α-helix	trans	-124.5	-2.5	-163	-54.8	-58.4	0	0	0	115.1	L34 E40 Y53	L34-Y38 HydrophobicContact CD2-CD2 3.82Å; L34-Y38 HydrophobicContact CD2-CE2 3.92Å; L34-Y38 PolarHBondContact O-N 3.43Å; Y38-E40 VanDerWaalsContact C-N 3.27Å; Y38-Y53 AromaticContact CE2-CD1 3.83Å; Y38-Y53 HydrophobicContact CE2-CD1 3.83Å; Y38-Y53 AromaticContact CE2-CE1 3.97Å; Y38-Y53 HydrophobicContact CE2-CE1 3.97Å
39	D	92.3	Very high	87.6	Confident	113 Å²	113	73.4 Å²	73.4	60%	0.604	36%	0.357	S	S	*	.	S	Bend	trans	60.6	38.4	-172.2	-161.6	27.8	0	0	0	112.7	Q35 R164	Q35-D39 WeakPolarHBondContact O-CA 3.45Å; Q35-D39 PolarHBondContact O-N 3.04Å; Q35-D39 VanDerWaalsContact O-N 3.15Å; Q35-D39 VanDerWaalsContact OE1-CA 3.29Å; Q35-D39 PolarHBondContact OE1-OD1 2.93Å; D39-R164 VanDerWaalsContact CA-NH1 3.27Å; D39-R164 VanDerWaalsContact CB-NH1 3.29Å; D39-R164 IonicContact OD1-CZ 3.35Å; D39-R164 IonicContact OD1-NE 2.72Å; D39-R164 IonicContact OD1-NH1 3.75Å; D39-R164 PolarHBondContact OD1-NH1 3.45Å
40	E	90.5	Very high	87	Confident	109 Å²	109	75 Å²	75	51%	0.509	37%	0.371	S	S	.	.			trans	-122.5	138.3	-178.5	-68.5	-176.4	177.2	0	0	111.5	L34 Q35 Y38	L34-E40 CarbonylContact C-O 3.46Å; Q35-E40 VanDerWaalsContact CA-O 3.24Å; Q35-E40 WeakPolarHBondContact CA-O 3.36Å; Q35-E40 PolarHBondContact N-O 3.14Å; Y38-E40 VanDerWaalsContact C-N 3.27Å
41	F	89.5	Confident	86.8	Confident	77 Å²	77	78 Å²	78	34%	0.338	39%	0.385	S	S	.	.			trans	-122.9	116.4	169.6	177.1	-109.2	0	0	0	109.6	A31 E43 A161 K162	A31-F41 HydrophobicContact CB-CD2 4.31Å; A31-F41 HydrophobicContact CB-CE2 4.21Å; F41-E43 HydrophobicContact CD1-CG 3.99Å; F41-E43 HydrophobicContact CE1-CB 4.47Å; F41-E43 HydrophobicContact CE1-CG 3.39Å; F41-E43 HydrophobicContact CZ-CG 4.2Å; F41-A161 HydrophobicContact CD2-CB 4.02Å; F41-A161 WeakPolarHBondContact CD2-O 3.39Å; F41-A161 HydrophobicContact CE2-CB 4.05Å; F41-K162 HydrophobicContact CD1-CB 4.21Å; F41-K162 HydrophobicContact CD1-CG 4.01Å; F41-K162 HydrophobicContact CD2-CB 4.37Å; F41-K162 HydrophobicContact CE1-CB 3.79Å; F41-K162 HydrophobicContact CE1-CD 4.1Å; F41-K162 HydrophobicContact CE1-CG 3.62Å; F41-K162 HydrophobicContact CE2-CB 3.99Å; F41-K162 HydrophobicContact CG-CB 4.47Å; F41-K162 HydrophobicContact CZ-CB 3.69Å; F41-K162 HydrophobicContact CZ-CD 4.42Å; F41-K162 HydrophobicContact CZ-CG 4.03Å
42	V	84.7	Confident	86.7	Confident	79 Å²	79	79.4 Å²	79.4	48%	0.479	39%	0.394	S	S	.	.			trans	-99.9	117.5	176.4	-176.8	0	0	0	0	108.3
43	E	80.6	Confident	86.6	Confident	145 Å²	145	80.6 Å²	80.6	68%	0.678	40%	0.398	S	S	*	.			trans	-73.3	-33.5	-179.2	-79.7	-171.3	173.5	0	0	112.9	F41 Y45 K162	F41-E43 HydrophobicContact CD1-CG 3.99Å; F41-E43 HydrophobicContact CE1-CB 4.47Å; F41-E43 HydrophobicContact CE1-CG 3.39Å; F41-E43 HydrophobicContact CZ-CG 4.2Å; E43-Y45 PolarHBondContact O-N 3.05Å; E43-K162 IonicContact OE1-NZ 3.84Å
44	E	80.7	Confident	86.6	Confident	159 Å²	159	87.5 Å²	87.5	74%	0.743	42%	0.424	S	S	*	.	S	Bend	trans	-71.9	122.1	-179.5	-67.1	-175.8	-177.7	0	0	110.6	E46	E44-E46 PolarHBondContact O-N 3.5Å
45	Y	73.6	Confident	86.4	Confident	136 Å²	136	88.8 Å²	88.8	53%	0.533	43%	0.428	S	S	.	.			trans	-82.3	107.6	177.6	179	-110.9	0	0	0	110.7	G26 E43 P47	G26-Y45 PolarHBondContact N-OH 2.81Å; E43-Y45 PolarHBondContact O-N 3.05Å; Y45-P47 HydrophobicContact CE1-CG 3.95Å
46	E	77.4	Confident	86.2	Confident	155 Å²	155	94.9 Å²	94.9	72%	0.724	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-102.1	126.1	162.5	-64.5	-166.9	163.1	0	0	109.6	E44 T48	E44-E46 PolarHBondContact O-N 3.5Å; E46-T48 PolarHBondContact O-N 3.3Å
47	P	79.7	Confident	85.9	Confident	101 Å²	101	95.6 Å²	95.6	66%	0.656	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-54.8	123.3	172.5	-27.1	35	0	0	0	111.7	Y45	Y45-P47 HydrophobicContact CE1-CG 3.95Å
48	T	73.3	Confident	85.6	Confident	26 Å²	26	99.4 Å²	99.4	16%	0.16	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-69.4	134	-172.1	-32.1	0	0	0	0	111.8	S30 E46 D70 A72	S30-T48 VanDerWaalsContact OG-CG2 3.31Å; S30-T48 WeakPolarHBondContact OG-CG2 3.42Å; S30-T48 PolarHBondContact OG-OG1 3.33Å; E46-T48 PolarHBondContact O-N 3.3Å; T48-D70 WeakPolarHBondContact CG2-OD2 3.48Å; T48-A72 VanDerWaalsContact O-CB 3.31Å; T48-A72 WeakPolarHBondContact O-CB 3.37Å
49	K	78.3	Confident	84.9	Confident	191 Å²	191	94 Å²	94	83%	0.83	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-83.1	134.1	154.3	-67.2	-179.7	-177.1	173.3	0	107.7	D51	K49-D51 PolarHBondContact O-N 2.88Å
50	A	81.4	Confident	84	Confident	41 Å²	41	93.2 Å²	93.2	34%	0.339	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-54.9	126.2	-177.4	0	0	0	0	0	111.2	D70 Y84	A50-D70 CarbonylContact C-O 3.36Å; A50-D70 WeakPolarHBondContact CA-O 2.96Å; A50-Y84 HydrophobicContact CB-CE2 4.12Å; A50-Y84 WeakPolarHBondContact CB-OH 3.26Å
51	D	89.9	Confident	83.6	Confident	85 Å²	85	91.1 Å²	91.1	46%	0.455	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	153.1	-175.5	-157.8	3.9	0	0	0	111.4	K49 Y53 D70	K49-D51 PolarHBondContact O-N 2.88Å; D51-Y53 HydrophobicContact CB-CE2 3.93Å; D51-D70 PolarHBondContact N-O 3.39Å; D51-D70 VanDerWaalsContact N-O 3.08Å; D51-D70 PolarHBondContact O-N 3.3Å
52	S	92.8	Very high	83.1	Confident	51 Å²	51	91.1 Å²	91.1	36%	0.357	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.2	-174.6	160.2	0	0	0	0	110.5	D67 I68	S52-D67 PolarHBondContact OG-OD1 2.92Å; S52-D67 PolarHBondContact OG-OD2 3.19Å; S52-I68 WeakPolarHBondContact CA-O 3.08Å
53	Y	93.9	Very high	83.2	Confident	36 Å²	36	91.4 Å²	91.4	14%	0.141	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.5	-176.7	-62.8	-89.7	0	0	0	110.4	T33 L34 M37 Y38 D51 D67 I68 D70	T33-Y53 HydrophobicContact CG2-CD2 3.39Å; T33-Y53 HydrophobicContact CG2-CE2 3.9Å; T33-Y53 HydrophobicContact CG2-CG 3.77Å; L34-Y53 HydrophobicContact CD2-CE1 3.89Å; M37-Y53 HydrophobicContact CG-CD1 4.41Å; M37-Y53 HydrophobicContact CG-CG 4.26Å; Y38-Y53 AromaticContact CE2-CD1 3.83Å; Y38-Y53 HydrophobicContact CE2-CD1 3.83Å; Y38-Y53 AromaticContact CE2-CE1 3.97Å; Y38-Y53 HydrophobicContact CE2-CE1 3.97Å; D51-Y53 HydrophobicContact CB-CE2 3.93Å; Y53-D67 WeakPolarHBondContact O-CA 3.36Å; Y53-I68 PolarHBondContact N-O 3.22Å; Y53-I68 PolarHBondContact O-N 3.48Å; Y53-D70 HydrophobicContact CD2-CB 4.32Å; Y53-D70 HydrophobicContact CE2-CB 3.97Å
54	R	93.8	Very high	83.5	Confident	146 Å²	146	84.5 Å²	84.5	55%	0.551	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	124	-177	-69.5	-174.7	-179	172.5	4	113.5	M37 I66 D67	M37-R54 WeakPolarHBondContact CE-O 3.48Å; R54-I66 VanDerWaalsContact CA-O 3.25Å; R54-I66 WeakPolarHBondContact CA-O 3.35Å; R54-D67 HydrophobicContact CG-CB 3.99Å; R54-D67 IonicContact CZ-OD2 3.09Å; R54-D67 VanDerWaalsContact CZ-OD2 3.29Å; R54-D67 IonicContact NE-OD2 3Å; R54-D67 PolarHBondContact NE-OD2 3.42Å; R54-D67 IonicContact NH2-OD2 3.98Å; R54-D67 PolarHBondContact NH2-OD2 3.12Å
55	K	90.9	Very high	83.9	Confident	62 Å²	62	79.6 Å²	79.6	27%	0.27	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134	177	-171.5	162.3	-179.7	163.9	0	110.5	F36 M37 L57 Q65 I66	F36-K55 HydrophobicContact CD1-CD 4.39Å; F36-K55 HydrophobicContact CE1-CB 4.43Å; F36-K55 HydrophobicContact CE1-CD 3.9Å; F36-K55 HydrophobicContact CZ-CD 4.24Å; F36-K55 PolarHBondContact O-NZ 3.17Å; M37-K55 HydrophobicContact CE-CB 3.76Å; M37-K55 PolarHBondContact O-NZ 3.18Å; M37-K55 HydrophobicContact SD-CB 3.67Å; M37-K55 HydrophobicContact SD-CD 4.25Å; K55-L57 HydrophobicContact CD-CD2 4.39Å; K55-L57 HydrophobicContact CG-CD2 4.09Å; K55-Q65 WeakPolarHBondContact O-CA 3.36Å; K55-I66 HydrophobicContact CB-CG2 3.98Å; K55-I66 PolarHBondContact N-O 3.42Å; K55-I66 PolarHBondContact O-N 2.88Å
56	R	90.7	Very high	84.7	Confident	136 Å²	136	73.2 Å²	73.2	51%	0.513	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.4	169.5	-177.7	-176.3	-82.2	-137	-10	108.4	L14 E63 C64	L14-R56 HydrophobicContact CD1-CG 3.99Å; L14-R56 VanDerWaalsContact CD1-NH2 3.27Å; R56-E63 IonicContact CZ-OE2 3.76Å; R56-E63 IonicContact NH1-OE1 3.29Å; R56-E63 PolarHBondContact NH1-OE1 3.05Å; R56-E63 IonicContact NH1-OE2 3.96Å; R56-E63 PolarHBondContact NH1-OE2 2.97Å; R56-E63 IonicContact NH2-OE2 3.17Å; R56-C64 CarbonylContact C-O 3.5Å; R56-C64 WeakPolarHBondContact CA-O 3.27Å
57	L	86.7	Confident	85.5	Confident	20 Å²	20	66.2 Å²	66.2	11%	0.105	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154.1	175.4	-55.9	177.9	0	0	0	109.8	F36 K55 L59 E63 C64 I66	F36-L57 HydrophobicContact CZ-CD1 4.26Å; F36-L57 HydrophobicContact CZ-CD2 3.79Å; K55-L57 HydrophobicContact CD-CD2 4.39Å; K55-L57 HydrophobicContact CG-CD2 4.09Å; L57-L59 HydrophobicContact CB-CG 4.26Å; L57-E63 WeakPolarHBondContact O-CA 3.39Å; L57-C64 PolarHBondContact N-O 3.09Å; L57-C64 PolarHBondContact O-N 2.98Å; L57-I66 HydrophobicContact CD1-CB 3.9Å; L57-I66 HydrophobicContact CD1-CG2 3.77Å; L57-I66 HydrophobicContact CG-CG2 4.13Å
58	V	84.3	Confident	86.2	Confident	94 Å²	94	61.5 Å²	61.5	57%	0.57	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	110.7	168.3	-176.2	0	0	0	0	106.6	V62 E63	V58-V62 WeakPolarHBondContact CA-O 3.42Å; V58-E63 HydrophobicContact CG2-CG 4.26Å
59	L	77.1	Confident	87.2	Confident	13 Å²	13	61.4 Å²	61.4	7%	0.068	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.6	-178.9	-59.4	172.3	0	0	0	107.6	L57 G61 V62 V172 C175 F179 L181	L57-L59 HydrophobicContact CB-CG 4.26Å; L59-G61 PolarHBondContact O-N 3.21Å; L59-G61 VanDerWaalsContact O-N 3.14Å; L59-V62 PolarHBondContact N-O 3.44Å; L59-V62 WeakPolarHBondContact O-CA 3.49Å; L59-V62 WeakPolarHBondContact O-CB 3.23Å; L59-V62 PolarHBondContact O-N 2.88Å; L59-V172 HydrophobicContact CD2-CG1 3.96Å; L59-C175 HydrophobicContact CD1-CB 3.41Å; L59-C175 VanDerWaalsContact CD1-CB 3.41Å; L59-F179 HydrophobicContact CD1-CD2 3.6Å; L59-F179 HydrophobicContact CD1-CE2 3.23Å; L59-F179 HydrophobicContact CD1-CZ 4.07Å; L59-L181 HydrophobicContact CB-CD1 4.44Å
60	D	75.2	Confident	87.9	Confident	95 Å²	95	52.3 Å²	52.3	51%	0.508	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	37.6	-175.1	-60.8	-31	0	0	0	113.8	V62	D60-V62 PolarHBondContact O-N 3.37Å
61	G	80.6	Confident	88.3	Confident	66 Å²	66	50.5 Å²	50.5	68%	0.68	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-1.9	-177.9	0	0	0	0	0	114.7	L59	L59-G61 PolarHBondContact O-N 3.21Å; L59-G61 VanDerWaalsContact O-N 3.14Å
62	V	80.5	Confident	87.9	Confident	77 Å²	77	47.7 Å²	47.7	47%	0.467	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121	173.7	-175.6	0	0	0	0	109.1	V58 L59 D60	V58-V62 WeakPolarHBondContact CA-O 3.42Å; L59-V62 PolarHBondContact N-O 3.44Å; L59-V62 WeakPolarHBondContact O-CA 3.49Å; L59-V62 WeakPolarHBondContact O-CB 3.23Å; L59-V62 PolarHBondContact O-N 2.88Å; D60-V62 PolarHBondContact O-N 3.37Å
63	E	86.3	Confident	86.7	Confident	84 Å²	84	46 Å²	46	39%	0.393	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	130.7	171.6	-66.6	-163.9	144.7	0	0	110.6	L14 R56 L57 V58	L14-E63 HydrophobicContact CD1-CB 3.95Å; L14-E63 HydrophobicContact CD2-CB 3.64Å; L14-E63 HydrophobicContact CG-CB 4.47Å; R56-E63 IonicContact CZ-OE2 3.76Å; R56-E63 IonicContact NH1-OE1 3.29Å; R56-E63 PolarHBondContact NH1-OE1 3.05Å; R56-E63 IonicContact NH1-OE2 3.96Å; R56-E63 PolarHBondContact NH1-OE2 2.97Å; R56-E63 IonicContact NH2-OE2 3.17Å; L57-E63 WeakPolarHBondContact O-CA 3.39Å; V58-E63 HydrophobicContact CG2-CG 4.26Å
64	C	86.7	Confident	85.4	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.007	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	175.6	171.5	69.7	0	0	0	0	110.7	P15 R56 L57 F179	P15-C64 HydrophobicContact CG-CB 4.04Å; R56-C64 CarbonylContact C-O 3.5Å; R56-C64 WeakPolarHBondContact CA-O 3.27Å; L57-C64 PolarHBondContact N-O 3.09Å; L57-C64 PolarHBondContact O-N 2.98Å; C64-F179 HydrophobicContact CB-CE1 4.09Å; C64-F179 HydrophobicContact CB-CE2 4.49Å; C64-F179 HydrophobicContact CB-CZ 3.51Å; C64-F179 WeakPolarHBondContact SG-CZ 3.37Å
65	Q	89.5	Confident	84	Confident	56 Å²	56	45.9 Å²	45.9	26%	0.262	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.2	165.4	-66.4	-173.4	-43.3	0	0	109.3	L14 P15 V16 H17 K55	L14-Q65 HydrophobicContact CB-CG 4.26Å; L14-Q65 HydrophobicContact CD1-CG 4.26Å; P15-Q65 PolarHBondContact O-N 2.75Å; V16-Q65 CarbonylContact C-O 3.52Å; V16-Q65 VanDerWaalsContact CA-O 3.31Å; V16-Q65 WeakPolarHBondContact CA-O 3.39Å; V16-Q65 HydrophobicContact CG1-CB 4.42Å; V16-Q65 HydrophobicContact CG2-CB 4.15Å; H17-Q65 PolarHBondContact N-O 3.39Å; K55-Q65 WeakPolarHBondContact O-CA 3.36Å
66	I	90.8	Very high	82.8	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.7	162.2	-164.2	-179	0	0	0	108.3	V19 F36 R54 K55 L57 I68 T171 C175	V19-I66 HydrophobicContact CB-CD1 4.35Å; V19-I66 HydrophobicContact CB-CG1 4.44Å; V19-I66 HydrophobicContact CG2-CD1 3.79Å; V19-I66 HydrophobicContact CG2-CG1 3.82Å; F36-I66 HydrophobicContact CE1-CG2 3.94Å; R54-I66 VanDerWaalsContact CA-O 3.25Å; R54-I66 WeakPolarHBondContact CA-O 3.35Å; K55-I66 HydrophobicContact CB-CG2 3.98Å; K55-I66 PolarHBondContact N-O 3.42Å; K55-I66 PolarHBondContact O-N 2.88Å; L57-I66 HydrophobicContact CD1-CB 3.9Å; L57-I66 HydrophobicContact CD1-CG2 3.77Å; L57-I66 HydrophobicContact CG-CG2 4.13Å; I66-I68 HydrophobicContact CD1-CD1 4.04Å; I66-I68 HydrophobicContact CD1-CG1 3.78Å; I66-I68 HydrophobicContact CG1-CG1 3.98Å; I66-I68 HydrophobicContact CG2-CG1 4.46Å; I66-T171 HydrophobicContact CD1-CG2 3.25Å; I66-C175 VanDerWaalsContact CD1-SG 3.58Å
67	D	93	Very high	81.9	Confident	9 Å²	9	51.8 Å²	51.8	5%	0.048	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	101.1	172.7	-173.8	-20.9	0	0	0	107.3	V16 H17 K18 V19 S52 Y53 R54	V16-D67 HydrophobicContact CG1-CB 3.65Å; H17-D67 PolarHBondContact O-N 3.28Å; K18-D67 CarbonylContact C-O 3.59Å; K18-D67 WeakPolarHBondContact CA-O 3.47Å; K18-D67 HydrophobicContact CG-CB 4.25Å; V19-D67 PolarHBondContact N-O 2.62Å; S52-D67 PolarHBondContact OG-OD1 2.92Å; S52-D67 PolarHBondContact OG-OD2 3.19Å; Y53-D67 WeakPolarHBondContact O-CA 3.36Å; R54-D67 HydrophobicContact CG-CB 3.99Å; R54-D67 IonicContact CZ-OD2 3.09Å; R54-D67 VanDerWaalsContact CZ-OD2 3.29Å; R54-D67 IonicContact NE-OD2 3Å; R54-D67 PolarHBondContact NE-OD2 3.42Å; R54-D67 IonicContact NH2-OD2 3.98Å; R54-D67 PolarHBondContact NH2-OD2 3.12Å
68	I	94.1	Very high	81.5	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	114.4	-179.7	-57	176.9	0	0	0	108	V19 M21 T33 F36 S52 Y53 I66 D70 T171	V19-I68 HydrophobicContact CB-CG1 4.49Å; V19-I68 CarbonylContact O-C 3.42Å; V19-I68 WeakPolarHBondContact O-CA 3.37Å; M21-I68 HydrophobicContact CG-CG2 3.67Å; M21-I68 HydrophobicContact SD-CG2 4.13Å; T33-I68 HydrophobicContact CG2-CB 4.3Å; T33-I68 HydrophobicContact CG2-CG2 3.88Å; F36-I68 HydrophobicContact CD1-CD1 3.63Å; F36-I68 HydrophobicContact CE1-CD1 4.02Å; S52-I68 WeakPolarHBondContact CA-O 3.08Å; Y53-I68 PolarHBondContact N-O 3.22Å; Y53-I68 PolarHBondContact O-N 3.48Å; I66-I68 HydrophobicContact CD1-CD1 4.04Å; I66-I68 HydrophobicContact CD1-CG1 3.78Å; I66-I68 HydrophobicContact CG1-CG1 3.98Å; I66-I68 HydrophobicContact CG2-CG1 4.46Å; I68-D70 PolarHBondContact O-N 3.27Å; I68-T171 HydrophobicContact CD1-CG2 4.32Å
69	L	94.5	Very high	81.4	Confident	23 Å²	23	52.6 Å²	52.6	12%	0.12	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	108.7	166.5	-174.9	71.4	0	0	0	109	V19 I20 M21 T71 Y84	V19-L69 PolarHBondContact O-N 3.14Å; I20-L69 HydrophobicContact CD1-CB 3.62Å; I20-L69 HydrophobicContact CD1-CD2 3.83Å; I20-L69 HydrophobicContact CD1-CG 4.37Å; I20-L69 HydrophobicContact CG2-CD2 4.32Å; M21-L69 PolarHBondContact N-O 3.04Å; L69-T71 HydrophobicContact CD2-CG2 4.25Å; L69-T71 HydrophobicContact CG-CG2 4.29Å; L69-Y84 HydrophobicContact CD2-CD1 3.34Å; L69-Y84 HydrophobicContact CD2-CD2 3.92Å; L69-Y84 HydrophobicContact CD2-CE1 3.86Å; L69-Y84 HydrophobicContact CD2-CE2 4.36Å; L69-Y84 HydrophobicContact CD2-CG 3.37Å
70	D	92.3	Very high	81.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	129	168.3	-172.4	27.1	0	0	0	109.6	K29 S30 T33 T48 A50 D51 Y53 I68	K29-D70 WeakPolarHBondContact CB-OD1 3.37Å; S30-D70 WeakPolarHBondContact CA-OD2 3.35Å; S30-D70 WeakPolarHBondContact CB-OD2 3.26Å; S30-D70 PolarHBondContact N-OD1 2.96Å; S30-D70 PolarHBondContact OG-OD2 2.85Å; T33-D70 HydrophobicContact CG2-CB 4.45Å; T48-D70 WeakPolarHBondContact CG2-OD2 3.48Å; A50-D70 CarbonylContact C-O 3.36Å; A50-D70 WeakPolarHBondContact CA-O 2.96Å; D51-D70 PolarHBondContact N-O 3.39Å; D51-D70 VanDerWaalsContact N-O 3.08Å; D51-D70 PolarHBondContact O-N 3.3Å; Y53-D70 HydrophobicContact CD2-CB 4.32Å; Y53-D70 HydrophobicContact CE2-CB 3.97Å; I68-D70 PolarHBondContact O-N 3.27Å
71	T	90	Very high	82.2	Confident	3 Å²	3	53 Å²	53	2%	0.018	30%	0.297	C	S	.	.			trans	-111.8	156.9	-176.6	67.8	0	0	0	0	110.1	I20 M21 K29 L69 G73 E75 Y84	I20-T71 HydrophobicContact CG2-CG2 3.97Å; M21-T71 VanDerWaalsContact O-CG2 3.31Å; M21-T71 WeakPolarHBondContact O-CG2 3.34Å; M21-T71 PolarHBondContact O-OG1 2.84Å; K29-T71 WeakPolarHBondContact CE-O 3.49Å; L69-T71 HydrophobicContact CD2-CG2 4.25Å; L69-T71 HydrophobicContact CG-CG2 4.29Å; T71-G73 PolarHBondContact O-N 3.4Å; T71-E75 WeakPolarHBondContact CB-OE1 3.27Å; T71-Y84 HydrophobicContact CG2-CD2 4.27Å
72	A	81.8	Confident	82.7	Confident	27 Å²	27	51.4 Å²	51.4	22%	0.223	27%	0.273	C	S	.	.			trans	-62.9	-33.9	171.8	0	0	0	0	0	111.3	K29 T48 Q74	K29-A72 PolarHBondContact NZ-O 3.44Å; T48-A72 VanDerWaalsContact O-CB 3.31Å; T48-A72 WeakPolarHBondContact O-CB 3.37Å; A72-Q74 VanDerWaalsContact C-N 3.26Å
73	G	67.5	Low	83.3	Confident	14 Å²	14	52.1 Å²	52.1	14%	0.144	27%	0.274	C	S	.	.	S	Bend	trans	83.1	-1.8	-170.4	0	0	0	0	0	114.4	G23 T71	G23-G73 WeakPolarHBondContact O-CA 3.46Å; T71-G73 PolarHBondContact O-N 3.4Å
74	Q	66.5	Low	83.6	Confident	148 Å²	148	50.9 Å²	50.9	69%	0.692	27%	0.266	S	S	*	.			trans	-135.6	57.3	176.9	-67	-174.6	-8.2	0	0	109.7	A72 D76	A72-Q74 VanDerWaalsContact C-N 3.26Å; Q74-D76 PolarHBondContact O-N 3.42Å
75	E	65.8	Low	83.9	Confident	32 Å²	32	51.1 Å²	51.1	15%	0.15	27%	0.267	C	S	.	.			trans	-77.5	108.4	179.6	-68.6	166.8	-157.5	0	0	109.9	T71 Y77 R81 Y84	T71-E75 WeakPolarHBondContact CB-OE1 3.27Å; E75-Y77 PolarHBondContact O-N 2.93Å; E75-Y77 VanDerWaalsContact O-N 3.14Å; E75-R81 HydrophobicContact CB-CB 4.36Å; E75-R81 WeakPolarHBondContact OE2-CA 3.4Å; E75-R81 WeakPolarHBondContact OE2-CB 3.42Å; E75-R81 PolarHBondContact OE2-N 2.91Å; E75-R81 VanDerWaalsContact OE2-N 3.15Å; E75-Y84 VanDerWaalsContact CD-CE2 3.43Å; E75-Y84 VanDerWaalsContact OE1-CD2 3.23Å; E75-Y84 WeakPolarHBondContact OE1-CD2 3.25Å; E75-Y84 WeakPolarHBondContact OE1-CE2 3.35Å; E75-Y84 VanDerWaalsContact OE2-CD2 3.23Å; E75-Y84 WeakPolarHBondContact OE2-CD2 3.41Å; E75-Y84 WeakPolarHBondContact OE2-CE2 3.44Å
76	D	64.4	Low	84.1	Confident	155 Å²	155	54.9 Å²	54.9	83%	0.829	28%	0.279	S	S	*	.	S	Bend	trans	-57.9	-27.1	-179.4	-66.7	-35	0	0	0	113.1	Q74	Q74-D76 PolarHBondContact O-N 3.42Å
77	Y	72.7	Confident	84.2	Confident	168 Å²	168	57.1 Å²	57.1	66%	0.659	30%	0.295	S	S	*	.			trans	-104.1	103.2	-178	-64.6	-83.6	0	0	0	110.9	E75 A79 I80 R81	E75-Y77 PolarHBondContact O-N 2.93Å; E75-Y77 VanDerWaalsContact O-N 3.14Å; Y77-A79 PolarHBondContact O-N 3.15Å; Y77-I80 HydrophobicContact CD2-CD1 4.36Å; Y77-I80 HydrophobicContact CG-CD1 4.4Å; Y77-I80 WeakPolarHBondContact O-CB 3.36Å; Y77-I80 PolarHBondContact O-N 3.18Å; Y77-R81 PolarHBondContact O-N 3.43Å
78	S	77.9	Confident	84.2	Confident	69 Å²	69	56.7 Å²	56.7	48%	0.483	29%	0.292	S	S	.	.	H	α-helix	trans	-51.2	-33.2	177.6	59.1	0	0	0	0	113.8	I80 R81 D82	S78-I80 PolarHBondContact O-N 3.04Å; S78-R81 PolarHBondContact O-N 3.32Å; S78-D82 WeakPolarHBondContact O-CB 3.33Å; S78-D82 VanDerWaalsContact O-CG 3.32Å; S78-D82 PolarHBondContact O-N 3.28Å
79	A	82.7	Confident	84.2	Confident	62 Å²	62	60.3 Å²	60.3	51%	0.512	31%	0.309	S	S	.	.	H	α-helix	trans	-65.6	-34.8	178.2	0	0	0	0	0	113.4	Y77 N83	Y77-A79 PolarHBondContact O-N 3.15Å; A79-N83 PolarHBondContact O-N 3.41Å; A79-N83 VanDerWaalsContact O-N 3.14Å; A79-N83 PolarHBondContact O-ND2 3.23Å
80	I	82.8	Confident	84.1	Confident	73 Å²	73	59.2 Å²	59.2	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-68.7	-48.5	177	-63.5	-179.7	0	0	0	108.9	Y77 S78 D82 N83 Y84	Y77-I80 HydrophobicContact CD2-CD1 4.36Å; Y77-I80 HydrophobicContact CG-CD1 4.4Å; Y77-I80 WeakPolarHBondContact O-CB 3.36Å; Y77-I80 PolarHBondContact O-N 3.18Å; S78-I80 PolarHBondContact O-N 3.04Å; I80-D82 PolarHBondContact O-N 2.98Å; I80-N83 WeakPolarHBondContact O-CA 3.35Å; I80-N83 WeakPolarHBondContact O-CB 3.1Å; I80-N83 PolarHBondContact O-N 3.23Å; I80-Y84 HydrophobicContact CG2-CD2 4.13Å; I80-Y84 HydrophobicContact CG2-CE1 4.14Å; I80-Y84 HydrophobicContact CG2-CE2 3.41Å; I80-Y84 VanDerWaalsContact CG2-CE2 3.41Å; I80-Y84 VanDerWaalsContact CG2-CZ 3.41Å; I80-Y84 WeakPolarHBondContact CG2-OH 3.39Å; I80-Y84 PolarHBondContact O-N 3.35Å
81	R	86	Confident	84.3	Confident	44 Å²	44	59.2 Å²	59.2	17%	0.166	30%	0.304	C	S	.	.	H	α-helix	trans	-57.5	-47.2	176.6	-170.7	177.3	59.6	-159.7	-0.9	112.8	E75 Y77 S78 N83 Y84 Y85 Q112	E75-R81 HydrophobicContact CB-CB 4.36Å; E75-R81 WeakPolarHBondContact OE2-CA 3.4Å; E75-R81 WeakPolarHBondContact OE2-CB 3.42Å; E75-R81 PolarHBondContact OE2-N 2.91Å; E75-R81 VanDerWaalsContact OE2-N 3.15Å; Y77-R81 PolarHBondContact O-N 3.43Å; S78-R81 PolarHBondContact O-N 3.32Å; R81-N83 PolarHBondContact O-N 3.12Å; R81-Y84 WeakPolarHBondContact O-CB 3.2Å; R81-Y84 PolarHBondContact O-N 3.46Å; R81-Y85 WeakPolarHBondContact CD-OH 3.39Å; R81-Y85 HydrophobicContact CG-CD2 4.18Å; R81-Y85 HydrophobicContact CG-CE1 3.97Å; R81-Y85 HydrophobicContact CG-CE2 3.56Å; R81-Y85 VanDerWaalsContact CG-CZ 3.44Å; R81-Y85 PolarHBondContact O-N 2.96Å; R81-Q112 VanDerWaalsContact NE-OE1 3.09Å
82	D	91.5	Very high	84.5	Confident	32 Å²	32	59.3 Å²	59.3	17%	0.171	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-31.5	177.7	-77.4	5.5	0	0	0	111.4	S78 I80 R86 R115 V116	S78-D82 WeakPolarHBondContact O-CB 3.33Å; S78-D82 VanDerWaalsContact O-CG 3.32Å; S78-D82 PolarHBondContact O-N 3.28Å; I80-D82 PolarHBondContact O-N 2.98Å; D82-R86 VanDerWaalsContact O-CB 3.27Å; D82-R86 WeakPolarHBondContact O-CB 3Å; D82-R86 PolarHBondContact O-N 3.36Å; D82-R115 IonicContact OD1-NH2 3.79Å; D82-R115 PolarHBondContact OD1-NH2 2.99Å; D82-R115 VanDerWaalsContact OD1-NH2 3.09Å; D82-R115 IonicContact OD2-NH2 3.55Å; D82-V116 HydrophobicContact CB-CG2 3.99Å; D82-V116 WeakPolarHBondContact O-CG1 3.36Å; D82-V116 WeakPolarHBondContact OD1-CG2 3.31Å
83	N	91.9	Very high	85.2	Confident	92 Å²	92	58 Å²	58	49%	0.492	29%	0.293	S	S	.	.	H	α-helix	trans	-69.4	-43.4	173.8	-71.6	-22.8	0	0	0	112.2	A79 I80 R81 Y85 R86 S87	A79-N83 PolarHBondContact O-N 3.41Å; A79-N83 VanDerWaalsContact O-N 3.14Å; A79-N83 PolarHBondContact O-ND2 3.23Å; I80-N83 WeakPolarHBondContact O-CA 3.35Å; I80-N83 WeakPolarHBondContact O-CB 3.1Å; I80-N83 PolarHBondContact O-N 3.23Å; R81-N83 PolarHBondContact O-N 3.12Å; N83-Y85 VanDerWaalsContact C-N 3.35Å; N83-R86 PolarHBondContact O-N 3.01Å; N83-R86 PolarHBondContact OD1-NH1 2.97Å; N83-S87 WeakPolarHBondContact O-CB 3.02Å; N83-S87 PolarHBondContact O-N 2.99Å; N83-S87 PolarHBondContact O-OG 3.16Å
84	Y	92.4	Very high	86.7	Confident	58 Å²	58	57.4 Å²	57.4	23%	0.227	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-49.2	173.8	-62.2	-27.4	0	0	0	110.8	A50 L69 T71 E75 I80 R81 R86 S87 G88	A50-Y84 HydrophobicContact CB-CE2 4.12Å; A50-Y84 WeakPolarHBondContact CB-OH 3.26Å; L69-Y84 HydrophobicContact CD2-CD1 3.34Å; L69-Y84 HydrophobicContact CD2-CD2 3.92Å; L69-Y84 HydrophobicContact CD2-CE1 3.86Å; L69-Y84 HydrophobicContact CD2-CE2 4.36Å; L69-Y84 HydrophobicContact CD2-CG 3.37Å; T71-Y84 HydrophobicContact CG2-CD2 4.27Å; E75-Y84 VanDerWaalsContact CD-CE2 3.43Å; E75-Y84 VanDerWaalsContact OE1-CD2 3.23Å; E75-Y84 WeakPolarHBondContact OE1-CD2 3.25Å; E75-Y84 WeakPolarHBondContact OE1-CE2 3.35Å; E75-Y84 VanDerWaalsContact OE2-CD2 3.23Å; E75-Y84 WeakPolarHBondContact OE2-CD2 3.41Å; E75-Y84 WeakPolarHBondContact OE2-CE2 3.44Å; I80-Y84 HydrophobicContact CG2-CD2 4.13Å; I80-Y84 HydrophobicContact CG2-CE1 4.14Å; I80-Y84 HydrophobicContact CG2-CE2 3.41Å; I80-Y84 VanDerWaalsContact CG2-CE2 3.41Å; I80-Y84 VanDerWaalsContact CG2-CZ 3.41Å; I80-Y84 WeakPolarHBondContact CG2-OH 3.39Å; I80-Y84 PolarHBondContact O-N 3.35Å; R81-Y84 WeakPolarHBondContact O-CB 3.2Å; R81-Y84 PolarHBondContact O-N 3.46Å; Y84-R86 PolarHBondContact O-N 2.83Å; Y84-S87 PolarHBondContact O-N 2.9Å; Y84-S87 VanDerWaalsContact O-N 3.15Å; Y84-S87 PolarHBondContact O-OG 2.98Å; Y84-G88 PolarHBondContact O-N 2.81Å
85	Y	93.8	Very high	88.2	Confident	5 Å²	5	50.3 Å²	50.3	2%	0.02	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-40.9	178.8	-64.8	-6.2	0	0	0	112.3	I20 V22 R81 N83 S87 G88 F91 F109 Q112 I113 V116 K117	I20-Y85 HydrophobicContact CG2-CD1 4.49Å; V22-Y85 HydrophobicContact CG1-CD1 4.4Å; V22-Y85 HydrophobicContact CG1-CE1 3.5Å; V22-Y85 VanDerWaalsContact CG1-CE1 3.5Å; R81-Y85 WeakPolarHBondContact CD-OH 3.39Å; R81-Y85 HydrophobicContact CG-CD2 4.18Å; R81-Y85 HydrophobicContact CG-CE1 3.97Å; R81-Y85 HydrophobicContact CG-CE2 3.56Å; R81-Y85 VanDerWaalsContact CG-CZ 3.44Å; R81-Y85 PolarHBondContact O-N 2.96Å; N83-Y85 VanDerWaalsContact C-N 3.35Å; Y85-S87 VanDerWaalsContact C-N 3.26Å; Y85-S87 PolarHBondContact O-N 3.31Å; Y85-G88 PolarHBondContact O-N 2.78Å; Y85-F91 HydrophobicContact CD1-CD1 4.37Å; Y85-F91 AromaticContact CD1-CE1 3.69Å; Y85-F91 HydrophobicContact CD1-CE1 3.69Å; Y85-F91 HydrophobicContact CE1-CE1 4.44Å; Y85-F91 HydrophobicContact CG-CE1 4.14Å; Y85-F91 WeakPolarHBondContact O-CZ 3.49Å; Y85-F109 WeakPolarHBondContact OH-CD1 3.44Å; Y85-Q112 HydrophobicContact CD2-CB 4.31Å; Y85-Q112 HydrophobicContact CE2-CB 3.74Å; Y85-I113 HydrophobicContact CD1-CG1 4.35Å; Y85-I113 HydrophobicContact CD2-CG1 4.09Å; Y85-I113 HydrophobicContact CE1-CG1 4.39Å; Y85-I113 HydrophobicContact CE2-CG1 4.12Å; Y85-I113 HydrophobicContact CG-CG1 4.21Å; Y85-V116 HydrophobicContact CD2-CG2 4.23Å; Y85-K117 WeakPolarHBondContact O-CE 3.47Å; Y85-K117 PolarHBondContact O-NZ 3.36Å; Y85-K117 VanDerWaalsContact O-NZ 3.13Å
86	R	94.5	Very high	89.7	Confident	136 Å²	136	48.9 Å²	48.9	51%	0.513	25%	0.247	S	C	.	.	H	α-helix	trans	-60.5	-40.2	176.4	-167	174.5	-58.6	99	6.2	111.4	D82 N83 Y84 V116 K117	D82-R86 VanDerWaalsContact O-CB 3.27Å; D82-R86 WeakPolarHBondContact O-CB 3Å; D82-R86 PolarHBondContact O-N 3.36Å; N83-R86 PolarHBondContact O-N 3.01Å; N83-R86 PolarHBondContact OD1-NH1 2.97Å; Y84-R86 PolarHBondContact O-N 2.83Å; R86-V116 HydrophobicContact CB-CG1 3.89Å; R86-K117 PolarHBondContact O-NZ 3.2Å
87	S	92.9	Very high	91.4	Very high	48 Å²	48	41.5 Å²	41.5	34%	0.336	21%	0.208	S	C	.	.	H	α-helix	trans	-76.8	-24.1	-178.2	77.6	0	0	0	0	115.3	N83 Y84 Y85	N83-S87 WeakPolarHBondContact O-CB 3.02Å; N83-S87 PolarHBondContact O-N 2.99Å; N83-S87 PolarHBondContact O-OG 3.16Å; Y84-S87 PolarHBondContact O-N 2.9Å; Y84-S87 VanDerWaalsContact O-N 3.15Å; Y84-S87 PolarHBondContact O-OG 2.98Å; Y85-S87 VanDerWaalsContact C-N 3.26Å; Y85-S87 PolarHBondContact O-N 3.31Å
88	G	93.1	Very high	92.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.			trans	-71.3	130.1	-175.8	0	0	0	0	0	112.7	Y84 Y85 G90 K117	Y84-G88 PolarHBondContact O-N 2.81Å; Y85-G88 PolarHBondContact O-N 2.78Å; G88-G90 VanDerWaalsContact C-N 3.26Å; G88-K117 WeakPolarHBondContact O-CE 3.37Å; G88-K117 PolarHBondContact O-NZ 3.42Å
89	E	93	Very high	93.6	Very high	78 Å²	78	34.4 Å²	34.4	36%	0.364	18%	0.176	S	C	.	.	S	Bend	trans	-82.7	-13.3	170.2	-70.7	165.8	103.4	0	0	111.4	H17 K18 I123 I178	H17-E89 WeakPolarHBondContact CA-OE2 2.95Å; H17-E89 IonicContact ND1-OE1 3.06Å; H17-E89 IonicContact ND1-OE2 3.9Å; K18-E89 PolarHBondContact N-OE2 2.82Å; K18-E89 PolarHBondContact O-N 2.81Å; E89-I123 WeakPolarHBondContact O-CD1 3.34Å; E89-I178 HydrophobicContact CB-CG2 4.43Å
90	G	93.6	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	162.6	175.5	0	0	0	0	0	114	K18 V19 I20 G88 P124	K18-G90 PolarHBondContact O-N 3Å; V19-G90 WeakPolarHBondContact CA-O 3.35Å; I20-G90 PolarHBondContact N-O 3.34Å; G88-G90 VanDerWaalsContact C-N 3.26Å; G90-P124 WeakPolarHBondContact CA-O 3.5Å
91	F	94.8	Very high	95	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.6	-171.2	-56.3	-91.1	0	0	0	112.7	I20 V22 Y85 I113 K117 I123 P124 I125 L126	I20-F91 HydrophobicContact CB-CD1 3.78Å; I20-F91 HydrophobicContact CB-CE1 3.88Å; I20-F91 HydrophobicContact CG1-CD1 4.21Å; I20-F91 HydrophobicContact CG1-CE1 3.85Å; I20-F91 HydrophobicContact CG2-CD1 4.43Å; I20-F91 HydrophobicContact CG2-CE1 4.44Å; I20-F91 WeakPolarHBondContact O-CA 3.45Å; V22-F91 HydrophobicContact CG1-CD1 4.12Å; Y85-F91 HydrophobicContact CD1-CD1 4.37Å; Y85-F91 AromaticContact CD1-CE1 3.69Å; Y85-F91 HydrophobicContact CD1-CE1 3.69Å; Y85-F91 HydrophobicContact CE1-CE1 4.44Å; Y85-F91 HydrophobicContact CG-CE1 4.14Å; Y85-F91 WeakPolarHBondContact O-CZ 3.49Å; F91-I113 HydrophobicContact CB-CD1 3.76Å; F91-I113 HydrophobicContact CD1-CD1 3.5Å; F91-I113 VanDerWaalsContact CD1-CD1 3.5Å; F91-I113 HydrophobicContact CD1-CG1 3.71Å; F91-I113 HydrophobicContact CD1-CG2 4.33Å; F91-I113 HydrophobicContact CD2-CD1 4.25Å; F91-I113 HydrophobicContact CD2-CG1 4.46Å; F91-I113 HydrophobicContact CD2-CG2 3.62Å; F91-I113 HydrophobicContact CE1-CD1 4.19Å; F91-I113 HydrophobicContact CE1-CG1 3.87Å; F91-I113 HydrophobicContact CE1-CG2 4.25Å; F91-I113 HydrophobicContact CE2-CG2 3.55Å; F91-I113 HydrophobicContact CG-CD1 3.54Å; F91-I113 HydrophobicContact CG-CG1 4.04Å; F91-I113 HydrophobicContact CG-CG2 4.04Å; F91-I113 HydrophobicContact CZ-CG1 4.34Å; F91-I113 HydrophobicContact CZ-CG2 3.88Å; F91-K117 HydrophobicContact CE2-CG 4.48Å; F91-I123 HydrophobicContact CD2-CG1 3.93Å; F91-I123 HydrophobicContact CE2-CD1 4.03Å; F91-I123 HydrophobicContact CE2-CG1 3.68Å; F91-P124 PolarHBondContact N-O 2.67Å; F91-I125 HydrophobicContact CB-CG1 4.26Å; F91-I125 HydrophobicContact CD2-CG1 4.31Å; F91-I125 WeakPolarHBondContact O-CA 3.43Å; F91-L126 PolarHBondContact O-N 3.38Å
92	L	95.9	Very high	95.6	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	106.9	164.3	-63	-175.1	0	0	0	107.9	V19 I20 M21 V22 V94 L126 V128 V170 F174	V19-L92 HydrophobicContact CG1-CD1 4.12Å; V19-L92 HydrophobicContact CG1-CG 3.83Å; I20-L92 PolarHBondContact O-N 3.38Å; M21-L92 HydrophobicContact CE-CB 4.43Å; M21-L92 HydrophobicContact CE-CD1 4.36Å; M21-L92 HydrophobicContact SD-CB 3.72Å; M21-L92 HydrophobicContact SD-CD1 3.58Å; M21-L92 VanDerWaalsContact SD-CD1 3.58Å; M21-L92 HydrophobicContact SD-CG 4.11Å; V22-L92 PolarHBondContact N-O 3.1Å; L92-V94 HydrophobicContact CB-CG2 4.38Å; L92-V94 PolarHBondContact O-N 3.43Å; L92-L126 HydrophobicContact CD2-CB 3.79Å; L92-L126 HydrophobicContact CD2-CD2 3.83Å; L92-L126 HydrophobicContact CD2-CG 4.25Å; L92-V128 HydrophobicContact CD2-CG2 4.41Å; L92-V170 HydrophobicContact CD1-CG1 3.76Å; L92-V170 HydrophobicContact CD2-CG1 3.8Å; L92-V170 HydrophobicContact CG-CG1 4.41Å; L92-F174 HydrophobicContact CD2-CB 4.1Å; L92-F174 HydrophobicContact CD2-CD1 4.19Å; L92-F174 HydrophobicContact CD2-CD2 3.83Å; L92-F174 HydrophobicContact CD2-CE2 4.36Å; L92-F174 HydrophobicContact CD2-CG 3.75Å
93	C	96.4	Very high	95.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	96.9	-179.9	-167.6	0	0	0	0	109.4	V22 I125 L126 L127 V128	V22-C93 HydrophobicContact CG2-CB 3.9Å; C93-I125 HydrophobicContact CB-CG2 4.24Å; C93-L126 PolarHBondContact N-O 3.46Å; C93-L127 HydrophobicContact CB-CD1 4.5Å; C93-V128 PolarHBondContact O-N 3.45Å
94	V	97.7	Very high	96.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.3	-169.8	-168.6	0	0	0	0	110.7	M21 V22 G23 V27 K29 L32 L92 V128 N130	M21-V94 HydrophobicContact CE-CG2 3.77Å; V22-V94 PolarHBondContact O-N 3.1Å; G23-V94 VanDerWaalsContact CA-O 3.29Å; G23-V94 WeakPolarHBondContact CA-O 3.37Å; V27-V94 HydrophobicContact CB-CG1 4.33Å; V27-V94 HydrophobicContact CG2-CB 4Å; V27-V94 HydrophobicContact CG2-CG1 3.85Å; K29-V94 HydrophobicContact CG-CB 4.26Å; K29-V94 HydrophobicContact CG-CG2 4.38Å; L32-V94 HydrophobicContact CD1-CG1 3.86Å; L32-V94 HydrophobicContact CD1-CG2 4.24Å; L92-V94 HydrophobicContact CB-CG2 4.38Å; L92-V94 PolarHBondContact O-N 3.43Å; V94-V128 WeakPolarHBondContact CA-O 3.42Å; V94-V128 HydrophobicContact CG2-CB 4.25Å; V94-N130 HydrophobicContact CG1-CB 3.87Å
95	F	98.5	Very high	96.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	168.4	164.9	71.6	-83	0	0	0	110	I97 S102 F103 T106 L127 V128 G129 N130 V140 A145 Y156	F95-I97 HydrophobicContact CE2-CG2 4.18Å; F95-S102 WeakPolarHBondContact CB-O 2.98Å; F95-F103 HydrophobicContact CB-CB 4.43Å; F95-F103 AromaticContact CD1-CD2 3.94Å; F95-F103 HydrophobicContact CD1-CD2 3.94Å; F95-F103 HydrophobicContact CD2-CB 3.73Å; F95-F103 AromaticContact CD2-CD2 3.82Å; F95-F103 HydrophobicContact CD2-CD2 3.82Å; F95-F103 HydrophobicContact CD2-CG 4.22Å; F95-F103 AromaticContact CE1-CD2 3.82Å; F95-F103 HydrophobicContact CE1-CD2 3.82Å; F95-F103 HydrophobicContact CE1-CE2 4.19Å; F95-F103 HydrophobicContact CE2-CB 4.23Å; F95-F103 AromaticContact CE2-CD2 3.73Å; F95-F103 HydrophobicContact CE2-CD2 3.73Å; F95-F103 HydrophobicContact CE2-CE2 4.5Å; F95-F103 HydrophobicContact CE2-CG 4.31Å; F95-F103 HydrophobicContact CG-CB 4.14Å; F95-F103 AromaticContact CG-CD2 3.94Å; F95-F103 HydrophobicContact CG-CD2 3.94Å; F95-F103 AromaticContact CZ-CD2 3.73Å; F95-F103 HydrophobicContact CZ-CD2 3.73Å; F95-F103 HydrophobicContact CZ-CE2 4.12Å; F95-T106 HydrophobicContact CB-CG2 3.83Å; F95-T106 HydrophobicContact CD1-CG2 4.2Å; F95-T106 HydrophobicContact CG-CG2 4.36Å; F95-L127 HydrophobicContact CD1-CD1 3.9Å; F95-L127 HydrophobicContact CD1-CG 4.36Å; F95-L127 HydrophobicContact CE1-CD1 3.99Å; F95-L127 HydrophobicContact CE1-CD2 4.34Å; F95-L127 HydrophobicContact CE1-CG 3.96Å; F95-V128 VanDerWaalsContact CD1-O 3.27Å; F95-V128 WeakPolarHBondContact CD1-O 3.48Å; F95-V128 PolarHBondContact N-O 2.81Å; F95-G129 VanDerWaalsContact CE1-CA 3.49Å; F95-G129 VanDerWaalsContact CZ-CA 3.49Å; F95-N130 WeakPolarHBondContact O-CB 3.45Å; F95-N130 PolarHBondContact O-N 3.14Å; F95-V140 HydrophobicContact CD2-CG2 4.32Å; F95-V140 HydrophobicContact CE2-CB 3.99Å; F95-V140 HydrophobicContact CE2-CG1 3.82Å; F95-V140 HydrophobicContact CE2-CG2 4.07Å; F95-V140 HydrophobicContact CZ-CG1 4.3Å; F95-A145 HydrophobicContact CZ-CB 3.93Å; F95-Y156 AromaticContact CE1-CE2 3.75Å; F95-Y156 HydrophobicContact CE1-CE2 3.75Å; F95-Y156 AromaticContact CZ-CE2 3.78Å; F95-Y156 HydrophobicContact CZ-CE2 3.78Å
96	S	98.3	Very high	96.6	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.7	172.6	-176.7	0	0	0	0	109.7	T98 D99 S102 K131	S96-T98 PolarHBondContact O-N 3.38Å; S96-T98 PolarHBondContact OG-N 3.22Å; S96-T98 PolarHBondContact OG-OG1 3Å; S96-D99 PolarHBondContact O-N 3.32Å; S96-S102 PolarHBondContact N-OG 3.33Å; S96-S102 PolarHBondContact O-OG 3.02Å; S96-K131 VanDerWaalsContact OG-CD 3.23Å; S96-K131 WeakPolarHBondContact OG-CD 3.42Å; S96-K131 WeakPolarHBondContact OG-CE 3.41Å
97	I	98.7	Very high	96.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.6	176.2	65.3	154.5	0	0	0	112.8	F95 N130 K131 R138 R139 V140	F95-I97 HydrophobicContact CE2-CG2 4.18Å; I97-N130 WeakPolarHBondContact CG1-O 3.39Å; I97-N130 PolarHBondContact N-O 3.35Å; I97-K131 WeakPolarHBondContact CD1-O 3.48Å; I97-K131 WeakPolarHBondContact CG1-O 3.48Å; I97-R138 HydrophobicContact CD1-CB 4.33Å; I97-R138 HydrophobicContact CD1-CG 4.4Å; I97-R138 WeakPolarHBondContact O-CA 3.4Å; I97-R139 PolarHBondContact O-N 2.96Å; I97-V140 PolarHBondContact O-N 2.99Å
98	T	98.5	Very high	96.8	Very high	28 Å²	28	31.8 Å²	31.8	17%	0.172	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-1.7	178.5	68.5	0	0	0	0	113.8	S96 L134 E137 R139	S96-T98 PolarHBondContact O-N 3.38Å; S96-T98 PolarHBondContact OG-N 3.22Å; S96-T98 PolarHBondContact OG-OG1 3Å; T98-L134 HydrophobicContact CG2-CB 3.62Å; T98-L134 HydrophobicContact CG2-CD1 4.06Å; T98-L134 HydrophobicContact CG2-CG 4.49Å; T98-E137 WeakPolarHBondContact CA-O 3.46Å; T98-E137 HydrophobicContact CG2-CB 3.74Å; T98-R139 WeakPolarHBondContact O-CG 3.49Å
99	D	98	Very high	96.9	Very high	59 Å²	59	32.8 Å²	32.8	32%	0.316	17%	0.172	S	C	.	.			trans	-137	103.9	-173.8	-180	-6.5	0	0	0	110.5	S96 E101 S102 F103	S96-D99 PolarHBondContact O-N 3.32Å; D99-E101 VanDerWaalsContact C-N 3.33Å; D99-E101 PolarHBondContact O-N 3.34Å; D99-E101 WeakPolarHBondContact OD1-CB 3.47Å; D99-E101 PolarHBondContact OD1-N 2.85Å; D99-S102 PolarHBondContact O-N 2.96Å; D99-S102 PolarHBondContact O-OG 3.01Å; D99-S102 PolarHBondContact OD1-N 3.22Å; D99-S102 WeakPolarHBondContact OD2-CB 3.14Å; D99-F103 PolarHBondContact O-N 3.12Å
100	L	98.2	Very high	97	Very high	74 Å²	74	30.7 Å²	30.7	39%	0.387	16%	0.16	S	C	.	.	H	α-helix	trans	-65.8	-34.5	179.7	-178	63.1	0	0	0	112.4	S102 F103 D104 R139 V140	L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 2.99Å; L100-F103 HydrophobicContact CD1-CD1 4.17Å; L100-F103 WeakPolarHBondContact O-CB 3.37Å; L100-F103 PolarHBondContact O-N 2.92Å; L100-F103 VanDerWaalsContact O-N 3.15Å; L100-D104 PolarHBondContact O-N 2.86Å; L100-R139 HydrophobicContact CB-CB 4.33Å; L100-V140 HydrophobicContact CD1-CG2 4.12Å
101	E	97.9	Very high	97.1	Very high	161 Å²	161	37.1 Å²	37.1	75%	0.752	19%	0.19	S	C	*	.	H	α-helix	trans	-66.3	-39.7	178.1	-62.1	-178.9	-179.3	0	0	110.3	D99 F103 D104 A105	D99-E101 VanDerWaalsContact C-N 3.33Å; D99-E101 PolarHBondContact O-N 3.34Å; D99-E101 WeakPolarHBondContact OD1-CB 3.47Å; D99-E101 PolarHBondContact OD1-N 2.85Å; E101-F103 VanDerWaalsContact C-N 3.26Å; E101-F103 PolarHBondContact O-N 3.47Å; E101-D104 PolarHBondContact O-N 3.43Å; E101-A105 WeakPolarHBondContact O-CB 3.48Å; E101-A105 PolarHBondContact O-N 2.83Å
102	S	97.7	Very high	97.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-34.7	173.5	82.7	0	0	0	0	112.8	F95 S96 D99 L100	F95-S102 WeakPolarHBondContact CB-O 2.98Å; S96-S102 PolarHBondContact N-OG 3.33Å; S96-S102 PolarHBondContact O-OG 3.02Å; D99-S102 PolarHBondContact O-N 2.96Å; D99-S102 PolarHBondContact O-OG 3.01Å; D99-S102 PolarHBondContact OD1-N 3.22Å; D99-S102 WeakPolarHBondContact OD2-CB 3.14Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 2.99Å
103	F	98.6	Very high	97.1	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-67	-53.9	173.3	176.4	-114.6	0	0	0	109.8	F95 D99 L100 E101 A105 T106 L127 V140 Q144 A145 R148	F95-F103 HydrophobicContact CB-CB 4.43Å; F95-F103 AromaticContact CD1-CD2 3.94Å; F95-F103 HydrophobicContact CD1-CD2 3.94Å; F95-F103 HydrophobicContact CD2-CB 3.73Å; F95-F103 AromaticContact CD2-CD2 3.82Å; F95-F103 HydrophobicContact CD2-CD2 3.82Å; F95-F103 HydrophobicContact CD2-CG 4.22Å; F95-F103 AromaticContact CE1-CD2 3.82Å; F95-F103 HydrophobicContact CE1-CD2 3.82Å; F95-F103 HydrophobicContact CE1-CE2 4.19Å; F95-F103 HydrophobicContact CE2-CB 4.23Å; F95-F103 AromaticContact CE2-CD2 3.73Å; F95-F103 HydrophobicContact CE2-CD2 3.73Å; F95-F103 HydrophobicContact CE2-CE2 4.5Å; F95-F103 HydrophobicContact CE2-CG 4.31Å; F95-F103 HydrophobicContact CG-CB 4.14Å; F95-F103 AromaticContact CG-CD2 3.94Å; F95-F103 HydrophobicContact CG-CD2 3.94Å; F95-F103 AromaticContact CZ-CD2 3.73Å; F95-F103 HydrophobicContact CZ-CD2 3.73Å; F95-F103 HydrophobicContact CZ-CE2 4.12Å; D99-F103 PolarHBondContact O-N 3.12Å; L100-F103 HydrophobicContact CD1-CD1 4.17Å; L100-F103 WeakPolarHBondContact O-CB 3.37Å; L100-F103 PolarHBondContact O-N 2.92Å; L100-F103 VanDerWaalsContact O-N 3.15Å; E101-F103 VanDerWaalsContact C-N 3.26Å; E101-F103 PolarHBondContact O-N 3.47Å; F103-A105 VanDerWaalsContact C-N 3.26Å; F103-A105 PolarHBondContact O-N 3.25Å; F103-T106 VanDerWaalsContact O-CB 3.28Å; F103-T106 WeakPolarHBondContact O-CB 3.23Å; F103-T106 VanDerWaalsContact O-CG2 3.32Å; F103-T106 WeakPolarHBondContact O-CG2 3.18Å; F103-T106 PolarHBondContact O-N 3.1Å; F103-T106 PolarHBondContact O-OG1 2.91Å; F103-L127 HydrophobicContact CE2-CD2 4.38Å; F103-V140 HydrophobicContact CB-CG1 4.3Å; F103-V140 HydrophobicContact CB-CG2 3.65Å; F103-V140 HydrophobicContact CD1-CG1 3.93Å; F103-V140 HydrophobicContact CD1-CG2 4.43Å; F103-V140 HydrophobicContact CD2-CG1 3.95Å; F103-V140 HydrophobicContact CE1-CG1 4.13Å; F103-V140 HydrophobicContact CE2-CG1 4.17Å; F103-V140 HydrophobicContact CG-CG1 3.81Å; F103-V140 HydrophobicContact CG-CG2 4.08Å; F103-V140 HydrophobicContact CZ-CG1 4.25Å; F103-Q144 HydrophobicContact CE1-CB 4.41Å; F103-A145 HydrophobicContact CE2-CB 4.11Å; F103-A145 HydrophobicContact CZ-CB 4.5Å; F103-R148 VanDerWaalsContact C-NH1 3.31Å; F103-R148 HydrophobicContact CE2-CB 4.28Å; F103-R148 HydrophobicContact CZ-CB 3.84Å; F103-R148 HydrophobicContact CZ-CG 4.34Å; F103-R148 VanDerWaalsContact CZ-CZ 3.42Å; F103-R148 VanDerWaalsContact CZ-NE 3.26Å; F103-R148 PolarHBondContact O-NH1 2.86Å
104	D	97.9	Very high	97	Very high	84 Å²	84	38.4 Å²	38.4	45%	0.449	20%	0.197	S	C	.	.	H	α-helix	trans	-56.6	-38	-179.1	-71.7	-24.6	0	0	0	113.3	L100 E101 T106 A107 R148	L100-D104 PolarHBondContact O-N 2.86Å; E101-D104 PolarHBondContact O-N 3.43Å; D104-T106 PolarHBondContact O-N 3.3Å; D104-T106 VanDerWaalsContact O-N 3.13Å; D104-A107 PolarHBondContact O-N 3.08Å; D104-R148 IonicContact OD1-CZ 2.75Å; D104-R148 IonicContact OD1-NH2 3.51Å; D104-R148 PolarHBondContact OD1-NH2 3.14Å
105	A	96.8	Very high	96.9	Very high	24 Å²	24	44.8 Å²	44.8	20%	0.198	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-23.8	174.5	0	0	0	0	0	114.4	S24 E101 F103 A107 E108 F109	S24-A105 WeakPolarHBondContact OG-CB 3.23Å; E101-A105 WeakPolarHBondContact O-CB 3.48Å; E101-A105 PolarHBondContact O-N 2.83Å; F103-A105 VanDerWaalsContact C-N 3.26Å; F103-A105 PolarHBondContact O-N 3.25Å; A105-A107 PolarHBondContact O-N 3.28Å; A105-A107 VanDerWaalsContact O-N 3.16Å; A105-E108 PolarHBondContact O-N 3.41Å; A105-E108 VanDerWaalsContact O-N 3.12Å; A105-F109 HydrophobicContact CB-CD2 4.49Å; A105-F109 HydrophobicContact CB-CE2 4.14Å; A105-F109 WeakPolarHBondContact O-CD2 3.32Å; A105-F109 PolarHBondContact O-N 3.03Å
106	T	97.5	Very high	96.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.7	-30.4	177.8	60.8	0	0	0	0	112.9	F95 F103 D104 F109 R110 L127 R148 W152	F95-T106 HydrophobicContact CB-CG2 3.83Å; F95-T106 HydrophobicContact CD1-CG2 4.2Å; F95-T106 HydrophobicContact CG-CG2 4.36Å; F103-T106 VanDerWaalsContact O-CB 3.28Å; F103-T106 WeakPolarHBondContact O-CB 3.23Å; F103-T106 VanDerWaalsContact O-CG2 3.32Å; F103-T106 WeakPolarHBondContact O-CG2 3.18Å; F103-T106 PolarHBondContact O-N 3.1Å; F103-T106 PolarHBondContact O-OG1 2.91Å; D104-T106 PolarHBondContact O-N 3.3Å; D104-T106 VanDerWaalsContact O-N 3.13Å; T106-F109 PolarHBondContact O-N 2.96Å; T106-R110 PolarHBondContact O-N 3.22Å; T106-L127 HydrophobicContact CG2-CD1 4.05Å; T106-R148 PolarHBondContact OG1-NH1 3.04Å; T106-W152 WeakPolarHBondContact O-CH2 3.19Å; T106-W152 WeakPolarHBondContact OG1-CH2 3.31Å
107	A	97.4	Very high	96.7	Very high	34 Å²	34	47.3 Å²	47.3	28%	0.281	23%	0.233	S	C	.	.	H	α-helix	trans	-63.4	-44.7	177.5	0	0	0	0	0	111.5	D104 A105 R110 E111 W152	D104-A107 PolarHBondContact O-N 3.08Å; A105-A107 PolarHBondContact O-N 3.28Å; A105-A107 VanDerWaalsContact O-N 3.16Å; A107-R110 PolarHBondContact O-N 3.13Å; A107-E111 WeakPolarHBondContact O-CG 3.28Å; A107-E111 PolarHBondContact O-N 2.9Å; A107-W152 HydrophobicContact CB-CZ2 4.09Å
108	E	94.9	Very high	96.5	Very high	112 Å²	112	54.5 Å²	54.5	52%	0.523	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-44.7	176.7	-171	-173.4	163.6	0	0	111.1	A105 R110 E111 Q112	A105-E108 PolarHBondContact O-N 3.41Å; A105-E108 VanDerWaalsContact O-N 3.12Å; E108-R110 VanDerWaalsContact C-N 3.32Å; E108-R110 PolarHBondContact O-N 3.15Å; E108-E111 PolarHBondContact O-N 3.05Å; E108-Q112 HydrophobicContact CG-CG 4.47Å; E108-Q112 VanDerWaalsContact O-CG 3.26Å; E108-Q112 WeakPolarHBondContact O-CG 3.31Å; E108-Q112 PolarHBondContact O-N 2.95Å; E108-Q112 PolarHBondContact OE1-NE2 2.58Å
109	F	95.1	Very high	96.1	Very high	20 Å²	20	57.1 Å²	57.1	9%	0.088	29%	0.291	C	S	.	.	H	α-helix	trans	-57.9	-44.6	175.8	-72.5	-66	0	0	0	111.7	V22 G23 Y85 A105 T106 Q112 I113	V22-F109 HydrophobicContact CB-CD1 4.16Å; V22-F109 HydrophobicContact CB-CG 4.43Å; V22-F109 HydrophobicContact CG2-CB 4.16Å; V22-F109 HydrophobicContact CG2-CG 4.47Å; G23-F109 VanDerWaalsContact CA-CE2 3.41Å; Y85-F109 WeakPolarHBondContact OH-CD1 3.44Å; A105-F109 HydrophobicContact CB-CD2 4.49Å; A105-F109 HydrophobicContact CB-CE2 4.14Å; A105-F109 WeakPolarHBondContact O-CD2 3.32Å; A105-F109 PolarHBondContact O-N 3.03Å; T106-F109 PolarHBondContact O-N 2.96Å; F109-Q112 PolarHBondContact O-N 2.63Å; F109-I113 WeakPolarHBondContact O-CD1 3.28Å; F109-I113 VanDerWaalsContact O-CG1 3.27Å; F109-I113 WeakPolarHBondContact O-CG1 3.45Å; F109-I113 PolarHBondContact O-N 2.81Å
110	R	95.8	Very high	95.7	Very high	34 Å²	34	57.5 Å²	57.5	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-46.7	177	179.6	173.7	-173.9	-127.9	-0.2	111.9	T106 A107 E108 Q112 I113 L114 I125 W152	T106-R110 PolarHBondContact O-N 3.22Å; A107-R110 PolarHBondContact O-N 3.13Å; E108-R110 VanDerWaalsContact C-N 3.32Å; E108-R110 PolarHBondContact O-N 3.15Å; R110-Q112 VanDerWaalsContact C-N 3.31Å; R110-Q112 PolarHBondContact O-N 2.86Å; R110-I113 PolarHBondContact O-N 2.93Å; R110-L114 HydrophobicContact CG-CD1 4.01Å; R110-L114 HydrophobicContact CG-CG 4.34Å; R110-L114 WeakPolarHBondContact O-CG 3.27Å; R110-L114 PolarHBondContact O-N 3.43Å; R110-I125 HydrophobicContact CG-CD1 4.27Å; R110-W152 HydrophobicContact CB-CH2 4.05Å; R110-W152 HydrophobicContact CB-CZ2 4.33Å; R110-W152 HydrophobicContact CB-CZ3 4.19Å; R110-W152 VanDerWaalsContact CD-CE2 3.5Å; R110-W152 VanDerWaalsContact CD-CE3 3.41Å; R110-W152 PolarHBondContact NH2-O 2.67Å
111	E	95.1	Very high	95.3	Very high	135 Å²	135	59.7 Å²	59.7	63%	0.631	30%	0.302	S	S	*	.	H	α-helix	trans	-60.1	-42	178.8	-74.8	179.2	179.6	0	0	111.7	A107 E108 L114 R115	A107-E111 WeakPolarHBondContact O-CG 3.28Å; A107-E111 PolarHBondContact O-N 2.9Å; E108-E111 PolarHBondContact O-N 3.05Å; E111-L114 PolarHBondContact O-N 2.9Å; E111-R115 WeakPolarHBondContact O-CB 3.38Å; E111-R115 PolarHBondContact O-N 2.85Å
112	Q	94.1	Very high	94.8	Very high	10 Å²	10	57.5 Å²	57.5	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-42.3	176.9	-67.4	174	3.4	0	0	112.1	R81 Y85 E108 F109 R110 R115 V116	R81-Q112 VanDerWaalsContact NE-OE1 3.09Å; Y85-Q112 HydrophobicContact CD2-CB 4.31Å; Y85-Q112 HydrophobicContact CE2-CB 3.74Å; E108-Q112 HydrophobicContact CG-CG 4.47Å; E108-Q112 VanDerWaalsContact O-CG 3.26Å; E108-Q112 WeakPolarHBondContact O-CG 3.31Å; E108-Q112 PolarHBondContact O-N 2.95Å; E108-Q112 PolarHBondContact OE1-NE2 2.58Å; F109-Q112 PolarHBondContact O-N 2.63Å; R110-Q112 VanDerWaalsContact C-N 3.31Å; R110-Q112 PolarHBondContact O-N 2.86Å; Q112-R115 PolarHBondContact O-N 2.87Å; Q112-V116 WeakPolarHBondContact O-CG2 3.33Å; Q112-V116 PolarHBondContact O-N 2.92Å
113	I	95.2	Very high	94.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-57.8	-53.1	173.7	-71.4	161.7	0	0	0	109.9	V22 Y85 F91 F109 R110 R115 V116 K117 I123 I125	V22-I113 HydrophobicContact CG1-CD1 4.37Å; V22-I113 HydrophobicContact CG2-CD1 3.97Å; Y85-I113 HydrophobicContact CD1-CG1 4.35Å; Y85-I113 HydrophobicContact CD2-CG1 4.09Å; Y85-I113 HydrophobicContact CE1-CG1 4.39Å; Y85-I113 HydrophobicContact CE2-CG1 4.12Å; Y85-I113 HydrophobicContact CG-CG1 4.21Å; F91-I113 HydrophobicContact CB-CD1 3.76Å; F91-I113 HydrophobicContact CD1-CD1 3.5Å; F91-I113 VanDerWaalsContact CD1-CD1 3.5Å; F91-I113 HydrophobicContact CD1-CG1 3.71Å; F91-I113 HydrophobicContact CD1-CG2 4.33Å; F91-I113 HydrophobicContact CD2-CD1 4.25Å; F91-I113 HydrophobicContact CD2-CG1 4.46Å; F91-I113 HydrophobicContact CD2-CG2 3.62Å; F91-I113 HydrophobicContact CE1-CD1 4.19Å; F91-I113 HydrophobicContact CE1-CG1 3.87Å; F91-I113 HydrophobicContact CE1-CG2 4.25Å; F91-I113 HydrophobicContact CE2-CG2 3.55Å; F91-I113 HydrophobicContact CG-CD1 3.54Å; F91-I113 HydrophobicContact CG-CG1 4.04Å; F91-I113 HydrophobicContact CG-CG2 4.04Å; F91-I113 HydrophobicContact CZ-CG1 4.34Å; F91-I113 HydrophobicContact CZ-CG2 3.88Å; F109-I113 WeakPolarHBondContact O-CD1 3.28Å; F109-I113 VanDerWaalsContact O-CG1 3.27Å; F109-I113 WeakPolarHBondContact O-CG1 3.45Å; F109-I113 PolarHBondContact O-N 2.81Å; R110-I113 PolarHBondContact O-N 2.93Å; I113-R115 VanDerWaalsContact C-N 3.32Å; I113-R115 PolarHBondContact O-N 2.91Å; I113-V116 PolarHBondContact O-N 2.83Å; I113-V116 VanDerWaalsContact O-N 3.17Å; I113-K117 HydrophobicContact CG2-CG 4.23Å; I113-K117 WeakPolarHBondContact O-CB 3.36Å; I113-K117 WeakPolarHBondContact O-CG 3.48Å; I113-K117 PolarHBondContact O-N 2.83Å; I113-I123 HydrophobicContact CG2-CG2 4.48Å; I113-I125 HydrophobicContact CG2-CD1 4.05Å
114	L	96.3	Very high	94.3	Very high	23 Å²	23	59.7 Å²	59.7	12%	0.12	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-41.6	-178.7	-70.4	176.5	0	0	0	111.4	R110 E111 V116 K117 N118 S119 D120 I123	R110-L114 HydrophobicContact CG-CD1 4.01Å; R110-L114 HydrophobicContact CG-CG 4.34Å; R110-L114 WeakPolarHBondContact O-CG 3.27Å; R110-L114 PolarHBondContact O-N 3.43Å; E111-L114 PolarHBondContact O-N 2.9Å; L114-V116 PolarHBondContact O-N 2.84Å; L114-K117 CarbonylContact O-C 3.56Å; L114-K117 PolarHBondContact O-N 2.81Å; L114-N118 PolarHBondContact O-N 3.08Å; L114-S119 WeakPolarHBondContact O-CA 2.98Å; L114-S119 PolarHBondContact O-N 3.07Å; L114-D120 WeakPolarHBondContact CD2-O 3.34Å; L114-I123 HydrophobicContact CD2-CG2 4.08Å
115	R	95.5	Very high	94.1	Very high	133 Å²	133	56.4 Å²	56.4	50%	0.502	30%	0.295	S	S	.	.	H	α-helix	trans	-57	-48.2	175.2	-176.7	-172.2	70.6	-147.9	0.3	111.5	D82 E111 Q112 I113 K117 N118	D82-R115 IonicContact OD1-NH2 3.79Å; D82-R115 PolarHBondContact OD1-NH2 2.99Å; D82-R115 VanDerWaalsContact OD1-NH2 3.09Å; D82-R115 IonicContact OD2-NH2 3.55Å; E111-R115 WeakPolarHBondContact O-CB 3.38Å; E111-R115 PolarHBondContact O-N 2.85Å; Q112-R115 PolarHBondContact O-N 2.87Å; I113-R115 VanDerWaalsContact C-N 3.32Å; I113-R115 PolarHBondContact O-N 2.91Å; R115-K117 VanDerWaalsContact C-N 3.32Å; R115-N118 PolarHBondContact O-N 3.02Å
116	V	95.6	Very high	94	Very high	17 Å²	17	55.4 Å²	55.4	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-70.9	-30	-179	175	0	0	0	0	111.9	D82 Y85 R86 Q112 I113 L114 N118	D82-V116 HydrophobicContact CB-CG2 3.99Å; D82-V116 WeakPolarHBondContact O-CG1 3.36Å; D82-V116 WeakPolarHBondContact OD1-CG2 3.31Å; Y85-V116 HydrophobicContact CD2-CG2 4.23Å; R86-V116 HydrophobicContact CB-CG1 3.89Å; Q112-V116 WeakPolarHBondContact O-CG2 3.33Å; Q112-V116 PolarHBondContact O-N 2.92Å; I113-V116 PolarHBondContact O-N 2.83Å; I113-V116 VanDerWaalsContact O-N 3.17Å; L114-V116 PolarHBondContact O-N 2.84Å; V116-N118 VanDerWaalsContact C-N 3.27Å; V116-N118 PolarHBondContact O-N 2.92Å
117	K	95.4	Very high	94	Very high	39 Å²	39	55.4 Å²	55.4	17%	0.17	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	18.7	176.1	-65.8	-59.4	-163.1	-177.2	0	113.9	Y85 R86 G88 F91 I113 L114 R115 S119 D120 I123	Y85-K117 WeakPolarHBondContact O-CE 3.47Å; Y85-K117 PolarHBondContact O-NZ 3.36Å; Y85-K117 VanDerWaalsContact O-NZ 3.13Å; R86-K117 PolarHBondContact O-NZ 3.2Å; G88-K117 WeakPolarHBondContact O-CE 3.37Å; G88-K117 PolarHBondContact O-NZ 3.42Å; F91-K117 HydrophobicContact CE2-CG 4.48Å; I113-K117 HydrophobicContact CG2-CG 4.23Å; I113-K117 WeakPolarHBondContact O-CB 3.36Å; I113-K117 WeakPolarHBondContact O-CG 3.48Å; I113-K117 PolarHBondContact O-N 2.83Å; L114-K117 CarbonylContact O-C 3.56Å; L114-K117 PolarHBondContact O-N 2.81Å; R115-K117 VanDerWaalsContact C-N 3.32Å; K117-S119 VanDerWaalsContact C-N 3.27Å; K117-S119 PolarHBondContact O-N 3.28Å; K117-D120 VanDerWaalsContact O-CB 3.26Å; K117-D120 WeakPolarHBondContact O-CB 3.34Å; K117-D120 PolarHBondContact O-N 2.9Å; K117-I123 HydrophobicContact CD-CD1 4.31Å; K117-I123 HydrophobicContact CG-CD1 4.44Å; K117-I123 HydrophobicContact CG-CG1 4.2Å
118	N	94.2	Very high	94	Very high	151 Å²	151	53.8 Å²	53.8	81%	0.807	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	39.4	178.5	-54.1	-52.5	0	0	0	113.6	L114 R115 V116 D120	L114-N118 PolarHBondContact O-N 3.08Å; R115-N118 PolarHBondContact O-N 3.02Å; V116-N118 VanDerWaalsContact C-N 3.27Å; V116-N118 PolarHBondContact O-N 2.92Å; N118-D120 PolarHBondContact O-N 2.86Å
119	S	91.2	Very high	94.1	Very high	83 Å²	83	48.4 Å²	48.4	58%	0.58	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	19	-179.7	-55.6	0	0	0	0	115.2	L114 K117 Q121	L114-S119 WeakPolarHBondContact O-CA 2.98Å; L114-S119 PolarHBondContact O-N 3.07Å; K117-S119 VanDerWaalsContact C-N 3.27Å; K117-S119 PolarHBondContact O-N 3.28Å; S119-Q121 PolarHBondContact O-N 3.35Å; S119-Q121 PolarHBondContact O-NE2 2.93Å
120	D	90.2	Very high	94.3	Very high	66 Å²	66	47.6 Å²	47.6	35%	0.353	24%	0.244	S	C	.	.			trans	-60.8	107.4	174.4	-178.1	5.9	0	0	0	110.9	L114 K117 N118 T122 I123	L114-D120 WeakPolarHBondContact CD2-O 3.34Å; K117-D120 VanDerWaalsContact O-CB 3.26Å; K117-D120 WeakPolarHBondContact O-CB 3.34Å; K117-D120 PolarHBondContact O-N 2.9Å; N118-D120 PolarHBondContact O-N 2.86Å; D120-T122 VanDerWaalsContact CG-OG1 3.3Å; D120-T122 PolarHBondContact O-N 2.88Å; D120-T122 WeakPolarHBondContact OD1-CA 3.25Å; D120-T122 VanDerWaalsContact OD1-CB 3.32Å; D120-T122 WeakPolarHBondContact OD1-CB 3.29Å; D120-T122 PolarHBondContact OD1-N 3.36Å; D120-T122 PolarHBondContact OD1-OG1 3.4Å; D120-T122 PolarHBondContact OD2-OG1 3.49Å; D120-I123 WeakPolarHBondContact O-CG2 3.39Å
121	Q	88.7	Confident	94.4	Very high	121 Å²	121	48.8 Å²	48.8	57%	0.565	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.3	178.3	-60.7	-58.7	-55.2	0	0	112.9	S119	S119-Q121 PolarHBondContact O-N 3.35Å; S119-Q121 PolarHBondContact O-NE2 2.93Å
122	T	88.1	Confident	94.5	Very high	115 Å²	115	43.3 Å²	43.3	71%	0.706	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-9.7	180	73.8	0	0	0	0	112.7	D120 P124	D120-T122 VanDerWaalsContact CG-OG1 3.3Å; D120-T122 PolarHBondContact O-N 2.88Å; D120-T122 WeakPolarHBondContact OD1-CA 3.25Å; D120-T122 VanDerWaalsContact OD1-CB 3.32Å; D120-T122 WeakPolarHBondContact OD1-CB 3.29Å; D120-T122 PolarHBondContact OD1-N 3.36Å; D120-T122 PolarHBondContact OD1-OG1 3.4Å; D120-T122 PolarHBondContact OD2-OG1 3.49Å; T122-P124 WeakPolarHBondContact O-CD 3.17Å
123	I	91.4	Very high	94.7	Very high	21 Å²	21	45.3 Å²	45.3	11%	0.108	24%	0.238	C	C	.	.	S	Bend	trans	-58.4	125	178.4	-172.3	68.9	0	0	0	110.5	E89 F91 I113 L114 K117 D120 I125	E89-I123 WeakPolarHBondContact O-CD1 3.34Å; F91-I123 HydrophobicContact CD2-CG1 3.93Å; F91-I123 HydrophobicContact CE2-CD1 4.03Å; F91-I123 HydrophobicContact CE2-CG1 3.68Å; I113-I123 HydrophobicContact CG2-CG2 4.48Å; L114-I123 HydrophobicContact CD2-CG2 4.08Å; K117-I123 HydrophobicContact CD-CD1 4.31Å; K117-I123 HydrophobicContact CG-CD1 4.44Å; K117-I123 HydrophobicContact CG-CG1 4.2Å; D120-I123 WeakPolarHBondContact O-CG2 3.39Å; I123-I125 HydrophobicContact CG2-CD1 4.08Å; I123-I125 HydrophobicContact CG2-CG1 4.2Å; I123-I125 PolarHBondContact O-N 2.87Å; I123-I125 VanDerWaalsContact O-N 3.14Å
124	P	92.9	Very high	94.8	Very high	31 Å²	31	47.8 Å²	47.8	20%	0.201	25%	0.251	C	S	.	.			trans	-61	119	178.4	-27.4	37.1	0	0	0	111.6	G90 F91 T122 F174 I178	G90-P124 WeakPolarHBondContact CA-O 3.5Å; F91-P124 PolarHBondContact N-O 2.67Å; T122-P124 WeakPolarHBondContact O-CD 3.17Å; P124-F174 HydrophobicContact CB-CE2 3.68Å; P124-F174 HydrophobicContact CB-CZ 3.67Å; P124-F174 WeakPolarHBondContact O-CZ 3.18Å; P124-I178 HydrophobicContact CB-CG1 4.17Å; P124-I178 HydrophobicContact CG-CG1 4.04Å
125	I	94	Very high	94.8	Very high	16 Å²	16	50.6 Å²	50.6	8%	0.082	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.9	171.3	-59.5	175.9	0	0	0	107.2	F91 C93 R110 I113 I123 V154	F91-I125 HydrophobicContact CB-CG1 4.26Å; F91-I125 HydrophobicContact CD2-CG1 4.31Å; F91-I125 WeakPolarHBondContact O-CA 3.43Å; C93-I125 HydrophobicContact CB-CG2 4.24Å; R110-I125 HydrophobicContact CG-CD1 4.27Å; I113-I125 HydrophobicContact CG2-CD1 4.05Å; I123-I125 HydrophobicContact CG2-CD1 4.08Å; I123-I125 HydrophobicContact CG2-CG1 4.2Å; I123-I125 PolarHBondContact O-N 2.87Å; I123-I125 VanDerWaalsContact O-N 3.14Å; I125-V154 HydrophobicContact CB-CG1 4.01Å; I125-V154 HydrophobicContact CG2-CG1 4.4Å; I125-V154 WeakPolarHBondContact O-CB 3.13Å; I125-V154 WeakPolarHBondContact O-CG1 3.12Å
126	L	95.2	Very high	94.9	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.3	172.1	179.2	62.3	0	0	0	108.9	F91 L92 C93 V128 N155 V157 V170 F173 F174	F91-L126 PolarHBondContact O-N 3.38Å; L92-L126 HydrophobicContact CD2-CB 3.79Å; L92-L126 HydrophobicContact CD2-CD2 3.83Å; L92-L126 HydrophobicContact CD2-CG 4.25Å; C93-L126 PolarHBondContact N-O 3.46Å; L126-V128 HydrophobicContact CD2-CG2 4.26Å; L126-V128 HydrophobicContact CG-CG2 3.96Å; L126-N155 HydrophobicContact CD1-CB 3.61Å; L126-N155 WeakPolarHBondContact CD1-O 3.31Å; L126-V157 HydrophobicContact CD1-CG2 4.18Å; L126-V170 HydrophobicContact CD2-CB 4.26Å; L126-V170 HydrophobicContact CD2-CG1 3.78Å; L126-V170 HydrophobicContact CD2-CG2 4.23Å; L126-F173 HydrophobicContact CD1-CD1 4.38Å; L126-F173 HydrophobicContact CD1-CE1 4.34Å; L126-F173 HydrophobicContact CD2-CD1 4.26Å; L126-F174 HydrophobicContact CB-CD2 3.82Å; L126-F174 HydrophobicContact CB-CE2 4.17Å; L126-F174 HydrophobicContact CD2-CB 4.48Å; L126-F174 HydrophobicContact CD2-CD2 4.43Å
127	L	96.9	Very high	95	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.3	173.6	-175.5	66	0	0	0	108.9	C93 F95 F103 T106 R148 A149 W152 V154 N155 Y156 V157	C93-L127 HydrophobicContact CB-CD1 4.5Å; F95-L127 HydrophobicContact CD1-CD1 3.9Å; F95-L127 HydrophobicContact CD1-CG 4.36Å; F95-L127 HydrophobicContact CE1-CD1 3.99Å; F95-L127 HydrophobicContact CE1-CD2 4.34Å; F95-L127 HydrophobicContact CE1-CG 3.96Å; F103-L127 HydrophobicContact CE2-CD2 4.38Å; T106-L127 HydrophobicContact CG2-CD1 4.05Å; L127-R148 HydrophobicContact CD2-CB 4.43Å; L127-R148 HydrophobicContact CD2-CG 4.43Å; L127-A149 HydrophobicContact CD2-CB 4.06Å; L127-W152 HydrophobicContact CD1-CZ3 4.05Å; L127-V154 HydrophobicContact CB-CG2 4.3Å; L127-N155 PolarHBondContact N-O 2.96Å; L127-N155 VanDerWaalsContact N-O 3.1Å; L127-Y156 HydrophobicContact CB-CD2 4.18Å; L127-Y156 HydrophobicContact CD2-CD2 3.98Å; L127-Y156 HydrophobicContact CG-CD2 3.91Å; L127-Y156 HydrophobicContact CG-CE2 4.47Å; L127-Y156 WeakPolarHBondContact O-CA 3.43Å; L127-Y156 WeakPolarHBondContact O-CD2 3.43Å; L127-V157 PolarHBondContact O-N 2.71Å; L127-V157 VanDerWaalsContact O-N 3.08Å
128	V	97.6	Very high	95.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	113.5	-173.5	-176	0	0	0	0	110.3	L32 L92 C93 V94 F95 L126 N130 V157 T159 V170	L32-V128 HydrophobicContact CD1-CG1 4.27Å; L92-V128 HydrophobicContact CD2-CG2 4.41Å; C93-V128 PolarHBondContact O-N 3.45Å; V94-V128 WeakPolarHBondContact CA-O 3.42Å; V94-V128 HydrophobicContact CG2-CB 4.25Å; F95-V128 VanDerWaalsContact CD1-O 3.27Å; F95-V128 WeakPolarHBondContact CD1-O 3.48Å; F95-V128 PolarHBondContact N-O 2.81Å; L126-V128 HydrophobicContact CD2-CG2 4.26Å; L126-V128 HydrophobicContact CG-CG2 3.96Å; V128-N130 PolarHBondContact O-N 3.21Å; V128-V157 WeakPolarHBondContact CA-O 3.35Å; V128-T159 HydrophobicContact CG1-CG2 3.73Å; V128-T159 WeakPolarHBondContact CG1-OG1 3.27Å; V128-V170 HydrophobicContact CG1-CG2 4.45Å; V128-V170 HydrophobicContact CG2-CG1 3.95Å; V128-V170 HydrophobicContact CG2-CG2 4.39Å
129	G	98.4	Very high	95.3	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	95.6	173.4	0	0	0	0	0	110.7	F95 V157 E158 T159	F95-G129 VanDerWaalsContact CE1-CA 3.49Å; F95-G129 VanDerWaalsContact CZ-CA 3.49Å; G129-V157 PolarHBondContact N-O 3.45Å; G129-E158 CarbonylContact O-C 3.49Å; G129-E158 WeakPolarHBondContact O-CA 3.29Å; G129-T159 PolarHBondContact O-N 3.47Å
130	N	98.5	Very high	95.7	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	167.5	-176.8	-166.5	32.7	0	0	0	112.8	V27 L32 V94 F95 I97 V128 T159 A161	V27-N130 PolarHBondContact O-ND2 2.87Å; L32-N130 HydrophobicContact CD1-CB 4.19Å; V94-N130 HydrophobicContact CG1-CB 3.87Å; F95-N130 WeakPolarHBondContact O-CB 3.45Å; F95-N130 PolarHBondContact O-N 3.14Å; I97-N130 WeakPolarHBondContact CG1-O 3.39Å; I97-N130 PolarHBondContact N-O 3.35Å; V128-N130 PolarHBondContact O-N 3.21Å; N130-T159 CarbonylContact C-O 3.56Å; N130-T159 WeakPolarHBondContact CA-O 2.83Å; N130-T159 WeakPolarHBondContact CA-OG1 3.41Å; N130-T159 PolarHBondContact OD1-O 3.06Å; N130-T159 PolarHBondContact OD1-OG1 3.49Å; N130-A161 PolarHBondContact OD1-N 3.35Å
131	K	97.8	Very high	96	Very high	58 Å²	58	52 Å²	52	25%	0.252	28%	0.279	S	S	.	.			trans	68.1	36.2	-177.9	-42.6	-166.1	-164.4	177.9	0	113.3	G26 S96 I97 D133 L134 T159	G26-K131 VanDerWaalsContact O-CE 3.24Å; G26-K131 WeakPolarHBondContact O-CE 3.27Å; G26-K131 PolarHBondContact O-NZ 3.41Å; S96-K131 VanDerWaalsContact OG-CD 3.23Å; S96-K131 WeakPolarHBondContact OG-CD 3.42Å; S96-K131 WeakPolarHBondContact OG-CE 3.41Å; I97-K131 WeakPolarHBondContact CD1-O 3.48Å; I97-K131 WeakPolarHBondContact CG1-O 3.48Å; K131-D133 WeakPolarHBondContact CA-OD1 3.5Å; K131-D133 PolarHBondContact O-N 2.86Å; K131-D133 VanDerWaalsContact O-N 3.12Å; K131-L134 HydrophobicContact CB-CD1 4.15Å; K131-L134 HydrophobicContact CB-CG 4.35Å; K131-L134 HydrophobicContact CD-CD1 4.12Å; K131-L134 PolarHBondContact O-N 3.29Å; K131-T159 PolarHBondContact N-O 3.37Å
132	S	98	Very high	96.4	Very high	20 Å²	20	50.1 Å²	50.1	14%	0.14	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.9	178.3	68.7	0	0	0	0	113.8	L134 T159	S132-L134 VanDerWaalsContact C-N 3.26Å; S132-L134 PolarHBondContact O-N 2.99Å; S132-T159 WeakPolarHBondContact CB-O 3.32Å; S132-T159 PolarHBondContact N-O 2.89Å; S132-T159 PolarHBondContact OG-O 3.42Å
133	D	97.7	Very high	96.9	Very high	53 Å²	53	50.4 Å²	50.4	28%	0.283	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.9	171.3	58	-69.9	0	0	0	113.2	K131 S135 S160 K162 T163	K131-D133 WeakPolarHBondContact CA-OD1 3.5Å; K131-D133 PolarHBondContact O-N 2.86Å; K131-D133 VanDerWaalsContact O-N 3.12Å; D133-S135 PolarHBondContact O-N 3.08Å; D133-S135 VanDerWaalsContact O-N 3.16Å; D133-S160 VanDerWaalsContact OD1-CB 3.25Å; D133-S160 WeakPolarHBondContact OD1-CB 3.41Å; D133-S160 PolarHBondContact OD1-OG 2.81Å; D133-K162 WeakPolarHBondContact OD2-CD 3.25Å; D133-T163 HydrophobicContact CB-CG2 3.98Å
134	L	97.1	Very high	97.2	Very high	51 Å²	51	53.4 Å²	53.4	27%	0.267	28%	0.28	S	S	.	.			trans	-89.8	44.4	178.6	-56.4	-177.7	0	0	0	112.2	T98 K131 S132 A136 E137 R138	T98-L134 HydrophobicContact CG2-CB 3.62Å; T98-L134 HydrophobicContact CG2-CD1 4.06Å; T98-L134 HydrophobicContact CG2-CG 4.49Å; K131-L134 HydrophobicContact CB-CD1 4.15Å; K131-L134 HydrophobicContact CB-CG 4.35Å; K131-L134 HydrophobicContact CD-CD1 4.12Å; K131-L134 PolarHBondContact O-N 3.29Å; S132-L134 VanDerWaalsContact C-N 3.26Å; S132-L134 PolarHBondContact O-N 2.99Å; L134-A136 PolarHBondContact O-N 2.86Å; L134-A136 VanDerWaalsContact O-N 3.14Å; L134-E137 HydrophobicContact CB-CB 4.4Å; L134-E137 PolarHBondContact O-N 2.93Å; L134-R138 PolarHBondContact O-N 2.57Å
135	S	95.4	Very high	97.4	Very high	83 Å²	83	51.9 Å²	51.9	58%	0.58	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-56.1	-32.2	-175.9	60.3	0	0	0	0	114.3	D133 E137 R138	D133-S135 PolarHBondContact O-N 3.08Å; D133-S135 VanDerWaalsContact O-N 3.16Å; S135-E137 VanDerWaalsContact C-N 3.26Å; S135-E137 PolarHBondContact O-N 3.5Å; S135-R138 VanDerWaalsContact O-CB 3.32Å; S135-R138 WeakPolarHBondContact O-CB 3.47Å; S135-R138 PolarHBondContact O-N 3.49Å
136	A	97.6	Very high	97.6	Very high	103 Å²	103	56 Å²	56	85%	0.851	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-69.1	-21.5	176.8	0	0	0	0	0	113.7	L134	L134-A136 PolarHBondContact O-N 2.86Å; L134-A136 VanDerWaalsContact O-N 3.14Å
137	E	97.9	Very high	97.7	Very high	116 Å²	116	61.2 Å²	61.2	54%	0.542	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-101.1	5.8	179.9	-63.9	177.8	-124.2	0	0	112.3	T98 L134 S135 R139	T98-E137 WeakPolarHBondContact CA-O 3.46Å; T98-E137 HydrophobicContact CG2-CB 3.74Å; L134-E137 HydrophobicContact CB-CB 4.4Å; L134-E137 PolarHBondContact O-N 2.93Å; S135-E137 VanDerWaalsContact C-N 3.26Å; S135-E137 PolarHBondContact O-N 3.5Å; E137-R139 PolarHBondContact O-N 2.72Å
138	R	98.5	Very high	97.8	Very high	76 Å²	76	63.3 Å²	63.3	29%	0.287	32%	0.321	S	S	.	.			trans	-56	127	-176.4	-179.3	179.5	-71.8	-91.9	6.8	111.6	I97 L134 S135 V140 E158	I97-R138 HydrophobicContact CD1-CB 4.33Å; I97-R138 HydrophobicContact CD1-CG 4.4Å; I97-R138 WeakPolarHBondContact O-CA 3.4Å; L134-R138 PolarHBondContact O-N 2.57Å; S135-R138 VanDerWaalsContact O-CB 3.32Å; S135-R138 WeakPolarHBondContact O-CB 3.47Å; S135-R138 PolarHBondContact O-N 3.49Å; R138-V140 VanDerWaalsContact CD-O 3.22Å; R138-V140 WeakPolarHBondContact CD-O 3.46Å; R138-V140 WeakPolarHBondContact CG-O 3.32Å; R138-V140 PolarHBondContact NH1-O 3.43Å; R138-E158 IonicContact CZ-OE1 3.93Å; R138-E158 IonicContact CZ-OE2 2.9Å; R138-E158 IonicContact NH1-OE1 2.67Å; R138-E158 PolarHBondContact NH1-OE1 3.15Å; R138-E158 IonicContact NH1-OE2 3.45Å; R138-E158 VanDerWaalsContact NH2-CD 3.26Å; R138-E158 IonicContact NH2-OE1 2.81Å; R138-E158 PolarHBondContact NH2-OE1 3.23Å; R138-E158 IonicContact NH2-OE2 2.9Å; R138-E158 PolarHBondContact NH2-OE2 3.5Å
139	R	98.4	Very high	97.8	Very high	180 Å²	180	63.5 Å²	63.5	68%	0.679	32%	0.322	S	S	*	.			trans	-112.6	-17.1	173.3	-59.2	-58.7	-174.8	156.1	1.5	113.2	I97 T98 L100 E137	I97-R139 PolarHBondContact O-N 2.96Å; T98-R139 WeakPolarHBondContact O-CG 3.49Å; L100-R139 HydrophobicContact CB-CB 4.33Å; E137-R139 PolarHBondContact O-N 2.72Å
140	V	98.4	Very high	97.7	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	-113	117.5	178.3	-173.5	0	0	0	0	109.2	F95 I97 L100 F103 R138 Q144 A145	F95-V140 HydrophobicContact CD2-CG2 4.32Å; F95-V140 HydrophobicContact CE2-CB 3.99Å; F95-V140 HydrophobicContact CE2-CG1 3.82Å; F95-V140 HydrophobicContact CE2-CG2 4.07Å; F95-V140 HydrophobicContact CZ-CG1 4.3Å; I97-V140 PolarHBondContact O-N 2.99Å; L100-V140 HydrophobicContact CD1-CG2 4.12Å; F103-V140 HydrophobicContact CB-CG1 4.3Å; F103-V140 HydrophobicContact CB-CG2 3.65Å; F103-V140 HydrophobicContact CD1-CG1 3.93Å; F103-V140 HydrophobicContact CD1-CG2 4.43Å; F103-V140 HydrophobicContact CD2-CG1 3.95Å; F103-V140 HydrophobicContact CE1-CG1 4.13Å; F103-V140 HydrophobicContact CE2-CG1 4.17Å; F103-V140 HydrophobicContact CG-CG1 3.81Å; F103-V140 HydrophobicContact CG-CG2 4.08Å; F103-V140 HydrophobicContact CZ-CG1 4.25Å; R138-V140 VanDerWaalsContact CD-O 3.22Å; R138-V140 WeakPolarHBondContact CD-O 3.46Å; R138-V140 WeakPolarHBondContact CG-O 3.32Å; R138-V140 PolarHBondContact NH1-O 3.43Å; V140-Q144 HydrophobicContact CG1-CB 4.41Å; V140-A145 HydrophobicContact CG1-CB 4.39Å
141	S	97.8	Very high	97.6	Very high	42 Å²	42	71 Å²	71	29%	0.294	38%	0.38	S	S	.	.			trans	-70.9	153.8	178.9	85.6	0	0	0	0	111.3	E143 Q144 A145	S141-E143 PolarHBondContact O-N 2.94Å; S141-Q144 PolarHBondContact O-N 2.87Å; S141-Q144 VanDerWaalsContact OG-CG 3.28Å; S141-Q144 WeakPolarHBondContact OG-CG 3.42Å; S141-Q144 PolarHBondContact OG-N 3.33Å; S141-Q144 VanDerWaalsContact OG-N 3.07Å; S141-Q144 PolarHBondContact OG-OE1 3.05Å; S141-A145 PolarHBondContact O-N 3.03Å
142	L	96.9	Very high	97.5	Very high	82 Å²	82	69.6 Å²	69.6	43%	0.429	37%	0.373	S	S	.	.	H	α-helix	trans	-56.9	-42.6	175.1	-176.7	70.7	0	0	0	111.1	A145 Q146 Y156	L142-A145 PolarHBondContact O-N 2.81Å; L142-Q146 HydrophobicContact CG-CG 4.38Å; L142-Q146 WeakPolarHBondContact O-CB 3.22Å; L142-Q146 VanDerWaalsContact O-CG 3.26Å; L142-Q146 WeakPolarHBondContact O-CG 3.11Å; L142-Q146 PolarHBondContact O-N 2.94Å; L142-Y156 HydrophobicContact CD1-CE1 3.72Å
143	E	97.8	Very high	97.4	Very high	122 Å²	122	76 Å²	76	57%	0.57	41%	0.405	S	S	*	.	H	α-helix	trans	-61.3	-45.6	179.2	-175.9	-176.4	179.5	0	0	111.9	S141 A145 Q146 Q147	S141-E143 PolarHBondContact O-N 2.94Å; E143-A145 VanDerWaalsContact C-N 3.34Å; E143-A145 PolarHBondContact O-N 3.48Å; E143-Q146 PolarHBondContact O-N 3.4Å; E143-Q147 HydrophobicContact CG-CG 4.34Å; E143-Q147 WeakPolarHBondContact O-CB 3.02Å; E143-Q147 VanDerWaalsContact O-CG 3.25Å; E143-Q147 WeakPolarHBondContact O-CG 3.19Å; E143-Q147 PolarHBondContact O-N 3.04Å; E143-Q147 PolarHBondContact OE1-NE2 2.72Å
144	Q	97.5	Very high	97.1	Very high	83 Å²	83	74.7 Å²	74.7	39%	0.388	40%	0.4	S	S	.	.	H	α-helix	trans	-59.6	-45.4	178.3	-75.3	172.1	-52.8	0	0	111.5	F103 V140 S141 R148	F103-Q144 HydrophobicContact CE1-CB 4.41Å; V140-Q144 HydrophobicContact CG1-CB 4.41Å; S141-Q144 PolarHBondContact O-N 2.87Å; S141-Q144 VanDerWaalsContact OG-CG 3.28Å; S141-Q144 WeakPolarHBondContact OG-CG 3.42Å; S141-Q144 PolarHBondContact OG-N 3.33Å; S141-Q144 VanDerWaalsContact OG-N 3.07Å; S141-Q144 PolarHBondContact OG-OE1 3.05Å; Q144-R148 PolarHBondContact O-N 3.06Å; Q144-R148 VanDerWaalsContact O-N 3.1Å
145	A	98.2	Very high	96.9	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-67.4	-41.9	179.6	0	0	0	0	0	112.3	F95 F103 V140 S141 L142 E143 R148 A149 Y156	F95-A145 HydrophobicContact CZ-CB 3.93Å; F103-A145 HydrophobicContact CE2-CB 4.11Å; F103-A145 HydrophobicContact CZ-CB 4.5Å; V140-A145 HydrophobicContact CG1-CB 4.39Å; S141-A145 PolarHBondContact O-N 3.03Å; L142-A145 PolarHBondContact O-N 2.81Å; E143-A145 VanDerWaalsContact C-N 3.34Å; E143-A145 PolarHBondContact O-N 3.48Å; A145-R148 PolarHBondContact O-N 2.75Å; A145-A149 PolarHBondContact O-N 3.15Å; A145-Y156 HydrophobicContact CB-CD1 4.33Å; A145-Y156 HydrophobicContact CB-CD2 4.14Å; A145-Y156 HydrophobicContact CB-CE1 3.81Å; A145-Y156 HydrophobicContact CB-CE2 3.59Å; A145-Y156 HydrophobicContact CB-CG 4.46Å; A145-Y156 WeakPolarHBondContact CB-OH 3.42Å
146	Q	97.8	Very high	96.9	Very high	102 Å²	102	74.1 Å²	74.1	48%	0.477	39%	0.388	S	S	.	.	H	α-helix	trans	-64.6	-42.8	176	-74.6	174.8	-25.6	0	0	112.4	L142 E143 R148 A149 A150 Y156	L142-Q146 HydrophobicContact CG-CG 4.38Å; L142-Q146 WeakPolarHBondContact O-CB 3.22Å; L142-Q146 VanDerWaalsContact O-CG 3.26Å; L142-Q146 WeakPolarHBondContact O-CG 3.11Å; L142-Q146 PolarHBondContact O-N 2.94Å; E143-Q146 PolarHBondContact O-N 3.4Å; Q146-R148 VanDerWaalsContact C-N 3.33Å; Q146-R148 PolarHBondContact O-N 2.82Å; Q146-A149 PolarHBondContact O-N 3.26Å; Q146-A150 WeakPolarHBondContact O-CB 3.27Å; Q146-A150 PolarHBondContact O-N 3.32Å; Q146-Y156 HydrophobicContact CG-CD1 3.89Å; Q146-Y156 HydrophobicContact CG-CE1 4.42Å
147	Q	98.3	Very high	96.8	Very high	111 Å²	111	70 Å²	70	52%	0.519	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-42.5	175.7	-75.9	175.7	0.4	0	0	111.5	E143 A150 S151	E143-Q147 HydrophobicContact CG-CG 4.34Å; E143-Q147 WeakPolarHBondContact O-CB 3.02Å; E143-Q147 VanDerWaalsContact O-CG 3.25Å; E143-Q147 WeakPolarHBondContact O-CG 3.19Å; E143-Q147 PolarHBondContact O-N 3.04Å; E143-Q147 PolarHBondContact OE1-NE2 2.72Å; Q147-A150 PolarHBondContact O-N 3.01Å; Q147-S151 WeakPolarHBondContact O-CB 3.24Å; Q147-S151 PolarHBondContact O-N 3Å
148	R	98.1	Very high	96.8	Very high	45 Å²	45	65.8 Å²	65.8	17%	0.17	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-49.8	175.4	-175.5	170.2	-67.2	-173	6.8	111.4	F103 D104 T106 L127 Q144 A145 Q146 A150 S151 W152	F103-R148 VanDerWaalsContact C-NH1 3.31Å; F103-R148 HydrophobicContact CE2-CB 4.28Å; F103-R148 HydrophobicContact CZ-CB 3.84Å; F103-R148 HydrophobicContact CZ-CG 4.34Å; F103-R148 VanDerWaalsContact CZ-CZ 3.42Å; F103-R148 VanDerWaalsContact CZ-NE 3.26Å; F103-R148 PolarHBondContact O-NH1 2.86Å; D104-R148 IonicContact OD1-CZ 2.75Å; D104-R148 IonicContact OD1-NH2 3.51Å; D104-R148 PolarHBondContact OD1-NH2 3.14Å; T106-R148 PolarHBondContact OG1-NH1 3.04Å; L127-R148 HydrophobicContact CD2-CB 4.43Å; L127-R148 HydrophobicContact CD2-CG 4.43Å; Q144-R148 PolarHBondContact O-N 3.06Å; Q144-R148 VanDerWaalsContact O-N 3.1Å; A145-R148 PolarHBondContact O-N 2.75Å; Q146-R148 VanDerWaalsContact C-N 3.33Å; Q146-R148 PolarHBondContact O-N 2.82Å; R148-A150 VanDerWaalsContact C-N 3.32Å; R148-A150 PolarHBondContact O-N 2.9Å; R148-S151 PolarHBondContact O-N 3.18Å; R148-S151 PolarHBondContact O-OG 3.05Å; R148-W152 HydrophobicContact CG-CD2 3.94Å; R148-W152 HydrophobicContact CG-CE3 4.31Å; R148-W152 HydrophobicContact CG-CH2 4.08Å; R148-W152 HydrophobicContact CG-CZ2 3.66Å; R148-W152 HydrophobicContact CG-CZ3 4.39Å; R148-W152 WeakPolarHBondContact O-CB 3.48Å; R148-W152 VanDerWaalsContact O-CG 3.23Å; R148-W152 PolarHBondContact O-N 3.4Å
149	A	97.2	Very high	96.8	Very high	3 Å²	3	62.2 Å²	62.2	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-59	-42.2	178	0	0	0	0	0	112.5	L127 A145 Q146 W152 N153 V154	L127-A149 HydrophobicContact CD2-CB 4.06Å; A145-A149 PolarHBondContact O-N 3.15Å; Q146-A149 PolarHBondContact O-N 3.26Å; A149-W152 CarbonylContact O-C 3.52Å; A149-W152 PolarHBondContact O-N 2.67Å; A149-W152 VanDerWaalsContact O-N 3.14Å; A149-N153 PolarHBondContact O-N 2.52Å; A149-V154 CarbonylContact C-O 3.55Å; A149-V154 HydrophobicContact CB-CG2 4.01Å; A149-V154 WeakPolarHBondContact CB-O 3.09Å; A149-V154 PolarHBondContact O-N 3Å
150	A	96.8	Very high	96.7	Very high	75 Å²	75	53.6 Å²	53.6	62%	0.62	29%	0.286	S	S	*	.	H	α-helix	trans	-62	-45.1	174.6	0	0	0	0	0	112.2	Q146 Q147 R148 W152 N153	Q146-A150 WeakPolarHBondContact O-CB 3.27Å; Q146-A150 PolarHBondContact O-N 3.32Å; Q147-A150 PolarHBondContact O-N 3.01Å; R148-A150 VanDerWaalsContact C-N 3.32Å; R148-A150 PolarHBondContact O-N 2.9Å; A150-W152 PolarHBondContact O-N 3.46Å; A150-N153 PolarHBondContact O-N 3.15Å
151	S	97.2	Very high	96.7	Very high	87 Å²	87	53.8 Å²	53.8	61%	0.608	29%	0.288	S	S	*	.	H	α-helix	trans	-61.9	-24.3	176	77.7	0	0	0	0	113	Q147 R148	Q147-S151 WeakPolarHBondContact O-CB 3.24Å; Q147-S151 PolarHBondContact O-N 3Å; R148-S151 PolarHBondContact O-N 3.18Å; R148-S151 PolarHBondContact O-OG 3.05Å
152	W	95.5	Very high	96.6	Very high	28 Å²	28	56.7 Å²	56.7	11%	0.106	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-6.7	179.3	-69.2	7.5	0	0	0	113.2	T106 A107 R110 L127 R148 A149 A150 V154	T106-W152 WeakPolarHBondContact O-CH2 3.19Å; T106-W152 WeakPolarHBondContact OG1-CH2 3.31Å; A107-W152 HydrophobicContact CB-CZ2 4.09Å; R110-W152 HydrophobicContact CB-CH2 4.05Å; R110-W152 HydrophobicContact CB-CZ2 4.33Å; R110-W152 HydrophobicContact CB-CZ3 4.19Å; R110-W152 VanDerWaalsContact CD-CE2 3.5Å; R110-W152 VanDerWaalsContact CD-CE3 3.41Å; R110-W152 PolarHBondContact NH2-O 2.67Å; L127-W152 HydrophobicContact CD1-CZ3 4.05Å; R148-W152 HydrophobicContact CG-CD2 3.94Å; R148-W152 HydrophobicContact CG-CE3 4.31Å; R148-W152 HydrophobicContact CG-CH2 4.08Å; R148-W152 HydrophobicContact CG-CZ2 3.66Å; R148-W152 HydrophobicContact CG-CZ3 4.39Å; R148-W152 WeakPolarHBondContact O-CB 3.48Å; R148-W152 VanDerWaalsContact O-CG 3.23Å; R148-W152 PolarHBondContact O-N 3.4Å; A149-W152 CarbonylContact O-C 3.52Å; A149-W152 PolarHBondContact O-N 2.67Å; A149-W152 VanDerWaalsContact O-N 3.14Å; A150-W152 PolarHBondContact O-N 3.46Å; W152-V154 HydrophobicContact CB-CG1 4.21Å; W152-V154 HydrophobicContact CB-CG2 3.84Å; W152-V154 HydrophobicContact CE3-CG2 4.21Å; W152-V154 PolarHBondContact O-N 3.29Å
153	N	94.2	Very high	96.5	Very high	153 Å²	153	56.9 Å²	56.9	82%	0.818	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	43	-169.8	-166.5	46.8	0	0	0	112.5	A149 A150	A149-N153 PolarHBondContact O-N 2.52Å; A150-N153 PolarHBondContact O-N 3.15Å
154	V	93.2	Very high	96.4	Very high	27 Å²	27	54 Å²	54	16%	0.164	28%	0.284	C	S	.	.			trans	-124.1	162.2	176.1	-56.9	0	0	0	0	110.5	I125 L127 A149 W152	I125-V154 HydrophobicContact CB-CG1 4.01Å; I125-V154 HydrophobicContact CG2-CG1 4.4Å; I125-V154 WeakPolarHBondContact O-CB 3.13Å; I125-V154 WeakPolarHBondContact O-CG1 3.12Å; L127-V154 HydrophobicContact CB-CG2 4.3Å; A149-V154 CarbonylContact C-O 3.55Å; A149-V154 HydrophobicContact CB-CG2 4.01Å; A149-V154 WeakPolarHBondContact CB-O 3.09Å; A149-V154 PolarHBondContact O-N 3Å; W152-V154 HydrophobicContact CB-CG1 4.21Å; W152-V154 HydrophobicContact CB-CG2 3.84Å; W152-V154 HydrophobicContact CE3-CG2 4.21Å; W152-V154 PolarHBondContact O-N 3.29Å
155	N	92.5	Very high	96.4	Very high	84 Å²	84	53.8 Å²	53.8	45%	0.449	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	159.3	172.3	-67.3	-65.8	0	0	0	111.2	L126 L127 F173	L126-N155 HydrophobicContact CD1-CB 3.61Å; L126-N155 WeakPolarHBondContact CD1-O 3.31Å; L127-N155 PolarHBondContact N-O 2.96Å; L127-N155 VanDerWaalsContact N-O 3.1Å; N155-F173 HydrophobicContact CB-CE1 3.89Å; N155-F173 HydrophobicContact CB-CZ 4.33Å; N155-F173 WeakPolarHBondContact ND2-CE1 3.1Å; N155-F173 WeakPolarHBondContact ND2-CZ 3.24Å
156	Y	95.4	Very high	96.2	Very high	37 Å²	37	55.2 Å²	55.2	15%	0.145	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.6	173.6	173	-113.8	0	0	0	110.2	F95 L127 L142 A145 Q146 E158	F95-Y156 AromaticContact CE1-CE2 3.75Å; F95-Y156 HydrophobicContact CE1-CE2 3.75Å; F95-Y156 AromaticContact CZ-CE2 3.78Å; F95-Y156 HydrophobicContact CZ-CE2 3.78Å; L127-Y156 HydrophobicContact CB-CD2 4.18Å; L127-Y156 HydrophobicContact CD2-CD2 3.98Å; L127-Y156 HydrophobicContact CG-CD2 3.91Å; L127-Y156 HydrophobicContact CG-CE2 4.47Å; L127-Y156 WeakPolarHBondContact O-CA 3.43Å; L127-Y156 WeakPolarHBondContact O-CD2 3.43Å; L142-Y156 HydrophobicContact CD1-CE1 3.72Å; A145-Y156 HydrophobicContact CB-CD1 4.33Å; A145-Y156 HydrophobicContact CB-CD2 4.14Å; A145-Y156 HydrophobicContact CB-CE1 3.81Å; A145-Y156 HydrophobicContact CB-CE2 3.59Å; A145-Y156 HydrophobicContact CB-CG 4.46Å; A145-Y156 WeakPolarHBondContact CB-OH 3.42Å; Q146-Y156 HydrophobicContact CG-CD1 3.89Å; Q146-Y156 HydrophobicContact CG-CE1 4.42Å; Y156-E158 HydrophobicContact CE1-CG 3.78Å; Y156-E158 HydrophobicContact CE2-CG 4.42Å; Y156-E158 VanDerWaalsContact CZ-CG 3.5Å; Y156-E158 WeakPolarHBondContact OH-CG 3.47Å; Y156-E158 PolarHBondContact OH-OE1 2.78Å
157	V	95.8	Very high	96	Very high	17 Å²	17	50.5 Å²	50.5	10%	0.103	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.2	175.2	179.9	0	0	0	0	109.4	L126 L127 V128 G129 T159 N166 V170	L126-V157 HydrophobicContact CD1-CG2 4.18Å; L127-V157 PolarHBondContact O-N 2.71Å; L127-V157 VanDerWaalsContact O-N 3.08Å; V128-V157 WeakPolarHBondContact CA-O 3.35Å; G129-V157 PolarHBondContact N-O 3.45Å; V157-T159 HydrophobicContact CG1-CG2 4.38Å; V157-N166 HydrophobicContact CG1-CB 3.79Å; V157-V170 HydrophobicContact CB-CG2 3.81Å; V157-V170 HydrophobicContact CG1-CG2 3.54Å; V157-V170 HydrophobicContact CG2-CG2 4.43Å
158	E	97.7	Very high	95.5	Very high	28 Å²	28	48.1 Å²	48.1	13%	0.131	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.1	167.5	-71.1	-167	173.2	0	0	111.3	G129 R138 Y156 N166	G129-E158 CarbonylContact O-C 3.49Å; G129-E158 WeakPolarHBondContact O-CA 3.29Å; R138-E158 IonicContact CZ-OE1 3.93Å; R138-E158 IonicContact CZ-OE2 2.9Å; R138-E158 IonicContact NH1-OE1 2.67Å; R138-E158 PolarHBondContact NH1-OE1 3.15Å; R138-E158 IonicContact NH1-OE2 3.45Å; R138-E158 VanDerWaalsContact NH2-CD 3.26Å; R138-E158 IonicContact NH2-OE1 2.81Å; R138-E158 PolarHBondContact NH2-OE1 3.23Å; R138-E158 IonicContact NH2-OE2 2.9Å; R138-E158 PolarHBondContact NH2-OE2 3.5Å; Y156-E158 HydrophobicContact CE1-CG 3.78Å; Y156-E158 HydrophobicContact CE2-CG 4.42Å; Y156-E158 VanDerWaalsContact CZ-CG 3.5Å; Y156-E158 WeakPolarHBondContact OH-CG 3.47Å; Y156-E158 PolarHBondContact OH-OE1 2.78Å; E158-N166 VanDerWaalsContact O-CB 3.24Å; E158-N166 WeakPolarHBondContact O-CB 3.34Å; E158-N166 PolarHBondContact O-ND2 2.87Å
159	T	97.6	Very high	94.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	158.9	-179.8	58.7	0	0	0	0	112	L32 V128 G129 N130 K131 S132 V157 F165 N166 V170	L32-T159 HydrophobicContact CD2-CG2 4.46Å; V128-T159 HydrophobicContact CG1-CG2 3.73Å; V128-T159 WeakPolarHBondContact CG1-OG1 3.27Å; G129-T159 PolarHBondContact O-N 3.47Å; N130-T159 CarbonylContact C-O 3.56Å; N130-T159 WeakPolarHBondContact CA-O 2.83Å; N130-T159 WeakPolarHBondContact CA-OG1 3.41Å; N130-T159 PolarHBondContact OD1-O 3.06Å; N130-T159 PolarHBondContact OD1-OG1 3.49Å; K131-T159 PolarHBondContact N-O 3.37Å; S132-T159 WeakPolarHBondContact CB-O 3.32Å; S132-T159 PolarHBondContact N-O 2.89Å; S132-T159 PolarHBondContact OG-O 3.42Å; V157-T159 HydrophobicContact CG1-CG2 4.38Å; T159-F165 VanDerWaalsContact CA-O 3.27Å; T159-F165 WeakPolarHBondContact CA-O 3.29Å; T159-N166 HydrophobicContact CG2-CB 4Å; T159-V170 HydrophobicContact CG2-CB 4.33Å; T159-V170 HydrophobicContact CG2-CG2 3.4Å
160	S	97.7	Very high	94.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.			trans	-129.5	115	160.1	173.7	0	0	0	0	109.1	D133 K162 T163 R164 F165 V167	D133-S160 VanDerWaalsContact OD1-CB 3.25Å; D133-S160 WeakPolarHBondContact OD1-CB 3.41Å; D133-S160 PolarHBondContact OD1-OG 2.81Å; S160-K162 PolarHBondContact O-N 3.23Å; S160-K162 PolarHBondContact OG-N 3.21Å; S160-T163 WeakPolarHBondContact CB-OG1 3.45Å; S160-T163 PolarHBondContact OG-N 3.41Å; S160-T163 PolarHBondContact OG-OG1 3.29Å; S160-R164 CarbonylContact O-C 3.59Å; S160-R164 VanDerWaalsContact O-CA 3.29Å; S160-R164 WeakPolarHBondContact O-CA 3.49Å; S160-R164 PolarHBondContact O-N 2.93Å; S160-F165 PolarHBondContact N-O 3.37Å; S160-F165 PolarHBondContact O-N 2.9Å; S160-V167 WeakPolarHBondContact O-CG2 3.47Å
161	A	96.7	Very high	93.5	Very high	3 Å²	3	44.5 Å²	44.5	3%	0.025	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.3	168	0	0	0	0	0	111.4	A31 L32 Q35 F41 N130	A31-A161 HydrophobicContact CB-CB 3.6Å; L32-A161 HydrophobicContact CD2-CB 3.95Å; L32-A161 HydrophobicContact CG-CB 4.2Å; Q35-A161 WeakPolarHBondContact CG-O 3.45Å; Q35-A161 PolarHBondContact NE2-O 2.78Å; F41-A161 HydrophobicContact CD2-CB 4.02Å; F41-A161 WeakPolarHBondContact CD2-O 3.39Å; F41-A161 HydrophobicContact CE2-CB 4.05Å; N130-A161 PolarHBondContact OD1-N 3.35Å
162	K	96.5	Very high	92.6	Very high	103 Å²	103	41.5 Å²	41.5	45%	0.448	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-47.2	-179.2	-176.1	173	-171.6	168.5	0	112.8	F41 E43 D133 S160	F41-K162 HydrophobicContact CD1-CB 4.21Å; F41-K162 HydrophobicContact CD1-CG 4.01Å; F41-K162 HydrophobicContact CD2-CB 4.37Å; F41-K162 HydrophobicContact CE1-CB 3.79Å; F41-K162 HydrophobicContact CE1-CD 4.1Å; F41-K162 HydrophobicContact CE1-CG 3.62Å; F41-K162 HydrophobicContact CE2-CB 3.99Å; F41-K162 HydrophobicContact CG-CB 4.47Å; F41-K162 HydrophobicContact CZ-CB 3.69Å; F41-K162 HydrophobicContact CZ-CD 4.42Å; F41-K162 HydrophobicContact CZ-CG 4.03Å; E43-K162 IonicContact OE1-NZ 3.84Å; D133-K162 WeakPolarHBondContact OD2-CD 3.25Å; S160-K162 PolarHBondContact O-N 3.23Å; S160-K162 PolarHBondContact OG-N 3.21Å
163	T	95.7	Very high	91.6	Very high	87 Å²	87	41.8 Å²	41.8	53%	0.534	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	3.3	-175.6	68.2	0	0	0	0	113.5	D133 S160 F165	D133-T163 HydrophobicContact CB-CG2 3.98Å; S160-T163 WeakPolarHBondContact CB-OG1 3.45Å; S160-T163 PolarHBondContact OG-N 3.41Å; S160-T163 PolarHBondContact OG-OG1 3.29Å; T163-F165 PolarHBondContact O-N 3.32Å; T163-F165 VanDerWaalsContact O-N 3.1Å; T163-F165 WeakPolarHBondContact OG1-CB 3.38Å; T163-F165 PolarHBondContact OG1-N 3.19Å
164	R	95.1	Very high	90.7	Very high	61 Å²	61	34.7 Å²	34.7	23%	0.23	17%	0.172	C	C	.	.			trans	61.4	7.2	-171.1	-163	177.8	-178.5	98.9	13.2	113.9	Q35 D39 S160 N166 V167 D168	Q35-R164 HydrophobicContact CG-CB 4.2Å; Q35-R164 HydrophobicContact CG-CG 4.03Å; Q35-R164 PolarHBondContact O-NH1 2.81Å; D39-R164 VanDerWaalsContact CA-NH1 3.27Å; D39-R164 VanDerWaalsContact CB-NH1 3.29Å; D39-R164 IonicContact OD1-CZ 3.35Å; D39-R164 IonicContact OD1-NE 2.72Å; D39-R164 IonicContact OD1-NH1 3.75Å; D39-R164 PolarHBondContact OD1-NH1 3.45Å; S160-R164 CarbonylContact O-C 3.59Å; S160-R164 VanDerWaalsContact O-CA 3.29Å; S160-R164 WeakPolarHBondContact O-CA 3.49Å; S160-R164 PolarHBondContact O-N 2.93Å; R164-N166 PolarHBondContact O-N 2.95Å; R164-N166 VanDerWaalsContact O-N 3.15Å; R164-V167 HydrophobicContact CG-CB 4.22Å; R164-V167 PolarHBondContact O-N 3.47Å; R164-V167 VanDerWaalsContact O-N 3.15Å; R164-D168 IonicContact CZ-OD1 3.6Å; R164-D168 IonicContact CZ-OD2 2.81Å; R164-D168 IonicContact NE-OD1 3.95Å; R164-D168 IonicContact NE-OD2 2.64Å; R164-D168 PolarHBondContact NE-OD2 3.41Å; R164-D168 IonicContact NH2-OD1 2.96Å; R164-D168 PolarHBondContact NH2-OD1 2.91Å; R164-D168 IonicContact NH2-OD2 3.92Å; R164-D168 PolarHBondContact NH2-OD2 2.94Å; R164-D168 VanDerWaalsContact NH2-OD2 3.17Å
165	F	96.3	Very high	89.9	Confident	78 Å²	78	33.4 Å²	33.4	34%	0.342	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	123	-179.6	-177.7	-107	0	0	0	111	T159 S160 T163 V167	T159-F165 VanDerWaalsContact CA-O 3.27Å; T159-F165 WeakPolarHBondContact CA-O 3.29Å; S160-F165 PolarHBondContact N-O 3.37Å; S160-F165 PolarHBondContact O-N 2.9Å; T163-F165 PolarHBondContact O-N 3.32Å; T163-F165 VanDerWaalsContact O-N 3.1Å; T163-F165 WeakPolarHBondContact OG1-CB 3.38Å; T163-F165 PolarHBondContact OG1-N 3.19Å; F165-V167 PolarHBondContact O-N 3.46Å
166	N	94.9	Very high	89	Confident	30 Å²	30	29.9 Å²	29.9	16%	0.16	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	8.9	-177.9	-71.7	-27	0	0	0	117.1	V157 E158 T159 R164 K169 V170	V157-N166 HydrophobicContact CG1-CB 3.79Å; E158-N166 VanDerWaalsContact O-CB 3.24Å; E158-N166 WeakPolarHBondContact O-CB 3.34Å; E158-N166 PolarHBondContact O-ND2 2.87Å; T159-N166 HydrophobicContact CG2-CB 4Å; R164-N166 PolarHBondContact O-N 2.95Å; R164-N166 VanDerWaalsContact O-N 3.15Å; N166-K169 HydrophobicContact CB-CB 4.35Å; N166-K169 PolarHBondContact O-N 2.97Å; N166-K169 WeakPolarHBondContact OD1-CD 3.23Å; N166-V170 WeakPolarHBondContact O-CG2 3.25Å; N166-V170 PolarHBondContact O-N 3.22Å
167	V	94.1	Very high	88	Confident	3 Å²	3	30.5 Å²	30.5	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-49.7	-178.7	175.6	0	0	0	0	111.3	L32 Q35 F36 S160 R164 F165 K169 T171	L32-V167 HydrophobicContact CD2-CG2 3.77Å; Q35-V167 HydrophobicContact CB-CG1 4.22Å; Q35-V167 HydrophobicContact CG-CB 4.38Å; Q35-V167 HydrophobicContact CG-CG1 4.07Å; Q35-V167 HydrophobicContact CG-CG2 4.05Å; F36-V167 HydrophobicContact CB-CG1 3.78Å; S160-V167 WeakPolarHBondContact O-CG2 3.47Å; R164-V167 HydrophobicContact CG-CB 4.22Å; R164-V167 PolarHBondContact O-N 3.47Å; R164-V167 VanDerWaalsContact O-N 3.15Å; F165-V167 PolarHBondContact O-N 3.46Å; V167-K169 VanDerWaalsContact C-N 3.32Å; V167-K169 PolarHBondContact O-N 3.22Å; V167-T171 PolarHBondContact O-N 3.29Å; V167-T171 PolarHBondContact O-OG1 3.35Å
168	D	88.3	Confident	86.8	Confident	62 Å²	62	31.3 Å²	31.3	33%	0.332	16%	0.158	S	C	.	.	H	α-helix	trans	-66.9	-36.6	177.3	-63.7	-45.5	0	0	0	111.6	R164 T171 V172	R164-D168 IonicContact CZ-OD1 3.6Å; R164-D168 IonicContact CZ-OD2 2.81Å; R164-D168 IonicContact NE-OD1 3.95Å; R164-D168 IonicContact NE-OD2 2.64Å; R164-D168 PolarHBondContact NE-OD2 3.41Å; R164-D168 IonicContact NH2-OD1 2.96Å; R164-D168 PolarHBondContact NH2-OD1 2.91Å; R164-D168 IonicContact NH2-OD2 3.92Å; R164-D168 PolarHBondContact NH2-OD2 2.94Å; R164-D168 VanDerWaalsContact NH2-OD2 3.17Å; D168-T171 PolarHBondContact O-N 2.84Å; D168-V172 VanDerWaalsContact O-CB 3.29Å; D168-V172 WeakPolarHBondContact O-CB 3.32Å; D168-V172 VanDerWaalsContact O-CG2 3.25Å; D168-V172 WeakPolarHBondContact O-CG2 3.36Å; D168-V172 PolarHBondContact O-N 3.46Å
169	K	84.2	Confident	85.4	Confident	34 Å²	34	32.6 Å²	32.6	15%	0.148	16%	0.164	C	C	.	.	H	α-helix	trans	-62.4	-46.8	179.1	-178.7	177.8	174.4	177.6	0	111.6	N166 V167 T171 F173 Y188	N166-K169 HydrophobicContact CB-CB 4.35Å; N166-K169 PolarHBondContact O-N 2.97Å; N166-K169 WeakPolarHBondContact OD1-CD 3.23Å; V167-K169 VanDerWaalsContact C-N 3.32Å; V167-K169 PolarHBondContact O-N 3.22Å; K169-T171 PolarHBondContact O-N 2.94Å; K169-F173 WeakPolarHBondContact O-CB 3.45Å; K169-F173 PolarHBondContact O-N 3.4Å; K169-Y188 WeakPolarHBondContact CD-O 3.1Å; K169-Y188 WeakPolarHBondContact CE-O 3.08Å; K169-Y188 PolarHBondContact NZ-O 2.8Å
170	V	85.8	Confident	83.9	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-57	-51.1	177.1	161.8	0	0	0	0	110.1	L92 L126 V128 V157 T159 N166 F174	L92-V170 HydrophobicContact CD1-CG1 3.76Å; L92-V170 HydrophobicContact CD2-CG1 3.8Å; L92-V170 HydrophobicContact CG-CG1 4.41Å; L126-V170 HydrophobicContact CD2-CB 4.26Å; L126-V170 HydrophobicContact CD2-CG1 3.78Å; L126-V170 HydrophobicContact CD2-CG2 4.23Å; V128-V170 HydrophobicContact CG1-CG2 4.45Å; V128-V170 HydrophobicContact CG2-CG1 3.95Å; V128-V170 HydrophobicContact CG2-CG2 4.39Å; V157-V170 HydrophobicContact CB-CG2 3.81Å; V157-V170 HydrophobicContact CG1-CG2 3.54Å; V157-V170 HydrophobicContact CG2-CG2 4.43Å; T159-V170 HydrophobicContact CG2-CB 4.33Å; T159-V170 HydrophobicContact CG2-CG2 3.4Å; N166-V170 WeakPolarHBondContact O-CG2 3.25Å; N166-V170 PolarHBondContact O-N 3.22Å; V170-F174 WeakPolarHBondContact O-CB 3.25Å; V170-F174 PolarHBondContact O-N 3.12Å
171	T	79.9	Confident	82	Confident	8 Å²	8	38.3 Å²	38.3	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-70.5	-41.3	-175.5	-49	0	0	0	0	112.8	F36 I66 I68 V167 D168 K169 C175	F36-T171 HydrophobicContact CD1-CG2 3.9Å; F36-T171 HydrophobicContact CD2-CG2 4.05Å; F36-T171 WeakPolarHBondContact CD2-OG1 3.37Å; F36-T171 HydrophobicContact CE1-CG2 3.44Å; F36-T171 VanDerWaalsContact CE1-CG2 3.44Å; F36-T171 VanDerWaalsContact CE2-CB 3.44Å; F36-T171 HydrophobicContact CE2-CG2 3.6Å; F36-T171 HydrophobicContact CG-CG2 4.17Å; F36-T171 HydrophobicContact CZ-CG2 3.26Å; I66-T171 HydrophobicContact CD1-CG2 3.25Å; I68-T171 HydrophobicContact CD1-CG2 4.32Å; V167-T171 PolarHBondContact O-N 3.29Å; V167-T171 PolarHBondContact O-OG1 3.35Å; D168-T171 PolarHBondContact O-N 2.84Å; K169-T171 PolarHBondContact O-N 2.94Å; T171-C175 WeakPolarHBondContact O-CB 3.2Å; T171-C175 PolarHBondContact O-N 2.94Å; T171-C175 PolarHBondContact O-SG 3.2Å
172	V	77.5	Confident	79.7	Confident	23 Å²	23	44.3 Å²	44.3	14%	0.139	25%	0.251	C	S	.	.	H	α-helix	trans	-69.1	-47.4	178.3	171.2	0	0	0	0	111.7	L59 D168 F174 C175 I176	L59-V172 HydrophobicContact CD2-CG1 3.96Å; D168-V172 VanDerWaalsContact O-CB 3.29Å; D168-V172 WeakPolarHBondContact O-CB 3.32Å; D168-V172 VanDerWaalsContact O-CG2 3.25Å; D168-V172 WeakPolarHBondContact O-CG2 3.36Å; D168-V172 PolarHBondContact O-N 3.46Å; V172-F174 PolarHBondContact O-N 2.95Å; V172-C175 WeakPolarHBondContact O-CB 3.38Å; V172-C175 PolarHBondContact O-N 3Å; V172-I176 HydrophobicContact CG1-CD1 3.9Å; V172-I176 WeakPolarHBondContact O-CG1 3.47Å; V172-I176 PolarHBondContact O-N 3.36Å
173	F	74.5	Confident	77.5	Confident	34 Å²	34	42.5 Å²	42.5	15%	0.149	24%	0.244	C	C	.	.	H	α-helix	trans	-58.2	-40.9	176.7	176	-102.8	0	0	0	111.5	L126 N155 K169 I176 S177 L185	L126-F173 HydrophobicContact CD1-CD1 4.38Å; L126-F173 HydrophobicContact CD1-CE1 4.34Å; L126-F173 HydrophobicContact CD2-CD1 4.26Å; N155-F173 HydrophobicContact CB-CE1 3.89Å; N155-F173 HydrophobicContact CB-CZ 4.33Å; N155-F173 WeakPolarHBondContact ND2-CE1 3.1Å; N155-F173 WeakPolarHBondContact ND2-CZ 3.24Å; K169-F173 WeakPolarHBondContact O-CB 3.45Å; K169-F173 PolarHBondContact O-N 3.4Å; F173-I176 PolarHBondContact O-N 3.23Å; F173-S177 PolarHBondContact O-N 2.81Å; F173-S177 PolarHBondContact O-OG 3.15Å; F173-L185 HydrophobicContact CD2-CD2 3.68Å; F173-L185 HydrophobicContact CE2-CD2 3.36Å; F173-L185 HydrophobicContact CE2-CG 4.22Å; F173-L185 HydrophobicContact CZ-CD2 4.31Å
174	F	76.4	Confident	74.9	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-44.2	178.3	-166.2	-106.6	0	0	0	112.4	V19 L92 P124 L126 V170 V172 I176 S177 I178	V19-F174 HydrophobicContact CB-CD1 4.43Å; V19-F174 HydrophobicContact CB-CE1 4.29Å; V19-F174 HydrophobicContact CG1-CD1 3.82Å; V19-F174 HydrophobicContact CG1-CE1 3.72Å; V19-F174 HydrophobicContact CG2-CD1 3.73Å; V19-F174 HydrophobicContact CG2-CE1 3.74Å; L92-F174 HydrophobicContact CD2-CB 4.1Å; L92-F174 HydrophobicContact CD2-CD1 4.19Å; L92-F174 HydrophobicContact CD2-CD2 3.83Å; L92-F174 HydrophobicContact CD2-CE2 4.36Å; L92-F174 HydrophobicContact CD2-CG 3.75Å; P124-F174 HydrophobicContact CB-CE2 3.68Å; P124-F174 HydrophobicContact CB-CZ 3.67Å; P124-F174 WeakPolarHBondContact O-CZ 3.18Å; L126-F174 HydrophobicContact CB-CD2 3.82Å; L126-F174 HydrophobicContact CB-CE2 4.17Å; L126-F174 HydrophobicContact CD2-CB 4.48Å; L126-F174 HydrophobicContact CD2-CD2 4.43Å; V170-F174 WeakPolarHBondContact O-CB 3.25Å; V170-F174 PolarHBondContact O-N 3.12Å; V172-F174 PolarHBondContact O-N 2.95Å; F174-I176 PolarHBondContact O-N 2.97Å; F174-S177 WeakPolarHBondContact O-CB 3.29Å; F174-S177 PolarHBondContact O-N 2.89Å; F174-I178 HydrophobicContact CD1-CD1 3.68Å; F174-I178 HydrophobicContact CD1-CG1 4.44Å; F174-I178 HydrophobicContact CE1-CD1 3.35Å; F174-I178 HydrophobicContact CE1-CG1 4.07Å; F174-I178 HydrophobicContact CZ-CD1 4.11Å; F174-I178 HydrophobicContact CZ-CG1 4.4Å; F174-I178 PolarHBondContact O-N 3.21Å
175	C	75.5	Confident	72.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.6	-52.9	173.2	-72.2	0	0	0	0	110.7	L59 I66 T171 V172 S177 I178 F179	L59-C175 HydrophobicContact CD1-CB 3.41Å; L59-C175 VanDerWaalsContact CD1-CB 3.41Å; I66-C175 VanDerWaalsContact CD1-SG 3.58Å; T171-C175 WeakPolarHBondContact O-CB 3.2Å; T171-C175 PolarHBondContact O-N 2.94Å; T171-C175 PolarHBondContact O-SG 3.2Å; V172-C175 WeakPolarHBondContact O-CB 3.38Å; V172-C175 PolarHBondContact O-N 3Å; C175-S177 PolarHBondContact O-N 2.64Å; C175-I178 CarbonylContact O-C 3.59Å; C175-I178 WeakPolarHBondContact O-CA 3.45Å; C175-I178 WeakPolarHBondContact O-CB 3.45Å; C175-I178 PolarHBondContact O-N 2.68Å; C175-F179 VanDerWaalsContact C-CD2 3.46Å; C175-F179 HydrophobicContact CB-CD2 4.12Å; C175-F179 HydrophobicContact CB-CE2 3.92Å; C175-F179 WeakPolarHBondContact O-CD2 3.49Å; C175-F179 PolarHBondContact O-N 3.19Å
176	I	73.2	Confident	69.9	Low	10 Å²	10	49.9 Å²	49.9	5%	0.051	28%	0.275	C	S	.	.	H	α-helix	trans	-51.6	-42.3	178.2	-71.4	166.2	0	0	0	111.5	V172 F173 F174 I178 F179 G180 L181 F183	V172-I176 HydrophobicContact CG1-CD1 3.9Å; V172-I176 WeakPolarHBondContact O-CG1 3.47Å; V172-I176 PolarHBondContact O-N 3.36Å; F173-I176 PolarHBondContact O-N 3.23Å; F174-I176 PolarHBondContact O-N 2.97Å; I176-I178 PolarHBondContact O-N 3.1Å; I176-F179 PolarHBondContact O-N 3.17Å; I176-G180 PolarHBondContact O-N 3.14Å; I176-G180 VanDerWaalsContact O-N 3.12Å; I176-L181 HydrophobicContact CG2-CB 4.06Å; I176-L181 VanDerWaalsContact CG2-O 3.27Å; I176-L181 WeakPolarHBondContact CG2-O 3.46Å; I176-L181 PolarHBondContact O-N 3.16Å; I176-F183 HydrophobicContact CD1-CB 4.08Å; I176-F183 HydrophobicContact CD1-CD1 4.42Å; I176-F183 HydrophobicContact CD1-CD2 3.79Å; I176-F183 HydrophobicContact CD1-CE2 4.35Å; I176-F183 HydrophobicContact CD1-CG 3.83Å; I176-F183 HydrophobicContact CG2-CB 3.66Å
177	S	75	Confident	67.6	Low	50 Å²	50	56.3 Å²	56.3	35%	0.35	30%	0.304	S	S	.	.	H	α-helix	trans	-63.5	-39.3	177.6	-56.8	0	0	0	0	112.3	F173 F174 C175	F173-S177 PolarHBondContact O-N 2.81Å; F173-S177 PolarHBondContact O-OG 3.15Å; F174-S177 WeakPolarHBondContact O-CB 3.29Å; F174-S177 PolarHBondContact O-N 2.89Å; C175-S177 PolarHBondContact O-N 2.64Å
178	I	71.5	Confident	65.3	Low	34 Å²	34	61.7 Å²	61.7	17%	0.174	33%	0.325	C	S	.	.	H	α-helix	trans	-67.1	-40.1	172.8	-68	166.3	0	0	0	111.3	H17 V19 E89 P124 F174 C175 I176 G180	H17-I178 HydrophobicContact CB-CG2 4.48Å; V19-I178 HydrophobicContact CG2-CD1 3.95Å; E89-I178 HydrophobicContact CB-CG2 4.43Å; P124-I178 HydrophobicContact CB-CG1 4.17Å; P124-I178 HydrophobicContact CG-CG1 4.04Å; F174-I178 HydrophobicContact CD1-CD1 3.68Å; F174-I178 HydrophobicContact CD1-CG1 4.44Å; F174-I178 HydrophobicContact CE1-CD1 3.35Å; F174-I178 HydrophobicContact CE1-CG1 4.07Å; F174-I178 HydrophobicContact CZ-CD1 4.11Å; F174-I178 HydrophobicContact CZ-CG1 4.4Å; F174-I178 PolarHBondContact O-N 3.21Å; C175-I178 CarbonylContact O-C 3.59Å; C175-I178 WeakPolarHBondContact O-CA 3.45Å; C175-I178 WeakPolarHBondContact O-CB 3.45Å; C175-I178 PolarHBondContact O-N 2.68Å; I176-I178 PolarHBondContact O-N 3.1Å; I178-G180 PolarHBondContact O-N 3.47Å
179	F	67.9	Low	62.8	Low	55 Å²	55	63.2 Å²	63.2	24%	0.241	33%	0.332	C	S	.	.	H	α-helix	trans	-73.7	-10	-178.5	-73.5	-77.2	0	0	0	114	H17 L59 C64 C175 I176 L181	H17-F179 AromaticContact CD2-CE1 3.51Å; H17-F179 AromaticContact CD2-CE2 3.82Å; H17-F179 AromaticContact CD2-CZ 3.02Å; H17-F179 WeakPolarHBondContact CD2-CZ 3.26Å; H17-F179 AromaticContact CE1-CE1 3.67Å; H17-F179 AromaticContact CE1-CZ 3.94Å; H17-F179 AromaticContact CG-CZ 3.88Å; H17-F179 AromaticContact NE2-CD1 3.89Å; H17-F179 AromaticContact NE2-CE1 2.96Å; H17-F179 WeakPolarHBondContact NE2-CE1 3.19Å; H17-F179 AromaticContact NE2-CZ 3.08Å; H17-F179 WeakPolarHBondContact NE2-CZ 3.32Å; L59-F179 HydrophobicContact CD1-CD2 3.6Å; L59-F179 HydrophobicContact CD1-CE2 3.23Å; L59-F179 HydrophobicContact CD1-CZ 4.07Å; C64-F179 HydrophobicContact CB-CE1 4.09Å; C64-F179 HydrophobicContact CB-CE2 4.49Å; C64-F179 HydrophobicContact CB-CZ 3.51Å; C64-F179 WeakPolarHBondContact SG-CZ 3.37Å; C175-F179 VanDerWaalsContact C-CD2 3.46Å; C175-F179 HydrophobicContact CB-CD2 4.12Å; C175-F179 HydrophobicContact CB-CE2 3.92Å; C175-F179 WeakPolarHBondContact O-CD2 3.49Å; C175-F179 PolarHBondContact O-N 3.19Å; I176-F179 PolarHBondContact O-N 3.17Å; F179-L181 HydrophobicContact CB-CB 4.31Å; F179-L181 HydrophobicContact CB-CD1 3.54Å; F179-L181 HydrophobicContact CB-CG 3.56Å; F179-L181 HydrophobicContact CD2-CD1 4.36Å; F179-L181 HydrophobicContact CG-CD1 3.99Å; F179-L181 HydrophobicContact CG-CG 4.49Å; F179-L181 PolarHBondContact O-N 2.94Å
180	G	64.9	Low	60.2	Low	65 Å²	65	69.1 Å²	69.1	67%	0.67	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	24.9	-170.8	0	0	0	0	0	112.6	I176 I178	I176-G180 PolarHBondContact O-N 3.14Å; I176-G180 VanDerWaalsContact O-N 3.12Å; I178-G180 PolarHBondContact O-N 3.47Å
181	L	57.8	Low	57.7	Low	55 Å²	55	76.7 Å²	76.7	29%	0.288	42%	0.416	S	S	.	.			trans	-76.7	126.7	179.2	-70.4	166.9	0	0	0	109	L59 I176 F179 F183	L59-L181 HydrophobicContact CB-CD1 4.44Å; I176-L181 HydrophobicContact CG2-CB 4.06Å; I176-L181 VanDerWaalsContact CG2-O 3.27Å; I176-L181 WeakPolarHBondContact CG2-O 3.46Å; I176-L181 PolarHBondContact O-N 3.16Å; F179-L181 HydrophobicContact CB-CB 4.31Å; F179-L181 HydrophobicContact CB-CD1 3.54Å; F179-L181 HydrophobicContact CB-CG 3.56Å; F179-L181 HydrophobicContact CD2-CD1 4.36Å; F179-L181 HydrophobicContact CG-CD1 3.99Å; F179-L181 HydrophobicContact CG-CG 4.49Å; F179-L181 PolarHBondContact O-N 2.94Å; L181-F183 PolarHBondContact O-N 3.44Å
182	S	48.8	Very low	56.6	Low	130 Å²	130	80.2 Å²	80.2	91%	0.909	44%	0.435	S	S	*	.			trans	-73.6	89.3	175.4	-75.4	0	0	0	0	110
183	F	50.6	Low	55.5	Low	64 Å²	64	83.2 Å²	83.2	28%	0.281	45%	0.45	S	S	.	.			trans	-94.2	130.5	174.9	-155.2	-93.5	0	0	0	111.2	I176 L181 L185 H187 Y188	I176-F183 HydrophobicContact CD1-CB 4.08Å; I176-F183 HydrophobicContact CD1-CD1 4.42Å; I176-F183 HydrophobicContact CD1-CD2 3.79Å; I176-F183 HydrophobicContact CD1-CE2 4.35Å; I176-F183 HydrophobicContact CD1-CG 3.83Å; I176-F183 HydrophobicContact CG2-CB 3.66Å; L181-F183 PolarHBondContact O-N 3.44Å; F183-L185 VanDerWaalsContact C-N 3.29Å; F183-L185 PolarHBondContact O-N 3.27Å; F183-H187 HydrophobicContact CE1-CB 3.99Å; F183-H187 HydrophobicContact CZ-CB 4.19Å; F183-Y188 HydrophobicContact CD1-CD2 4.46Å; F183-Y188 AromaticContact CE1-CD2 3.56Å; F183-Y188 HydrophobicContact CE1-CD2 3.56Å; F183-Y188 AromaticContact CE1-CE2 3.85Å; F183-Y188 HydrophobicContact CE1-CE2 3.85Å; F183-Y188 AromaticContact CZ-CD2 3.88Å; F183-Y188 HydrophobicContact CZ-CD2 3.88Å; F183-Y188 AromaticContact CZ-CE2 3.64Å; F183-Y188 HydrophobicContact CZ-CE2 3.64Å
184	K	41.9	Very low	54.5	Low	163 Å²	163	85.9 Å²	85.9	71%	0.709	47%	0.467	S	S	*	.			trans	-73.2	93.8	161.9	-74.6	-173.6	180	-177.2	0	107.8	E186 H187	K184-E186 PolarHBondContact O-N 3.39Å; K184-H187 PolarHBondContact O-N 2.57Å
185	L	43.4	Very low	53.2	Low	73 Å²	73	90.7 Å²	90.7	38%	0.382	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-31	-30.5	168	-97.7	177.2	0	0	0	114.8	F173 F183 H187 Y188 L189	F173-L185 HydrophobicContact CD2-CD2 3.68Å; F173-L185 HydrophobicContact CE2-CD2 3.36Å; F173-L185 HydrophobicContact CE2-CG 4.22Å; F173-L185 HydrophobicContact CZ-CD2 4.31Å; F183-L185 VanDerWaalsContact C-N 3.29Å; F183-L185 PolarHBondContact O-N 3.27Å; L185-H187 PolarHBondContact O-N 3.03Å; L185-H187 VanDerWaalsContact O-N 3.08Å; L185-Y188 PolarHBondContact O-N 3.2Å; L185-Y188 VanDerWaalsContact O-N 3.1Å; L185-L189 HydrophobicContact CB-CD1 3.4Å; L185-L189 VanDerWaalsContact CB-CD1 3.4Å; L185-L189 HydrophobicContact CD1-CD1 4.13Å; L185-L189 HydrophobicContact CD2-CD1 3.55Å; L185-L189 HydrophobicContact CD2-CG 4.46Å; L185-L189 HydrophobicContact CG-CD1 3.84Å; L185-L189 WeakPolarHBondContact O-CB 3.24Å; L185-L189 WeakPolarHBondContact O-CD1 3.43Å; L185-L189 PolarHBondContact O-N 2.79Å
186	E	43.1	Very low	51.8	Low	145 Å²	145	96.4 Å²	96.4	68%	0.678	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-51.9	-28.6	179.3	-63.9	-179.9	165.5	0	0	115.5	K184 Y188	K184-E186 PolarHBondContact O-N 3.39Å; E186-Y188 PolarHBondContact O-N 3.34Å
187	H	46.1	Very low	50.4	Low	165 Å²	165	102.1 Å²	102.1	76%	0.764	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-78.1	-14.7	179.9	-96.5	-85.7	0	0	0	115.3	F183 K184 L185	F183-H187 HydrophobicContact CE1-CB 3.99Å; F183-H187 HydrophobicContact CZ-CB 4.19Å; K184-H187 PolarHBondContact O-N 2.57Å; L185-H187 PolarHBondContact O-N 3.03Å; L185-H187 VanDerWaalsContact O-N 3.08Å
188	Y	44.8	Very low	48.6	Very low	116 Å²	116	105.9 Å²	105.9	46%	0.455	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.3	-3.1	177.9	-74.1	-83.2	0	0	0	113.4	K169 F183 L185 E186	K169-Y188 WeakPolarHBondContact CD-O 3.1Å; K169-Y188 WeakPolarHBondContact CE-O 3.08Å; K169-Y188 PolarHBondContact NZ-O 2.8Å; F183-Y188 HydrophobicContact CD1-CD2 4.46Å; F183-Y188 AromaticContact CE1-CD2 3.56Å; F183-Y188 HydrophobicContact CE1-CD2 3.56Å; F183-Y188 AromaticContact CE1-CE2 3.85Å; F183-Y188 HydrophobicContact CE1-CE2 3.85Å; F183-Y188 AromaticContact CZ-CD2 3.88Å; F183-Y188 HydrophobicContact CZ-CD2 3.88Å; F183-Y188 AromaticContact CZ-CE2 3.64Å; F183-Y188 HydrophobicContact CZ-CE2 3.64Å; L185-Y188 PolarHBondContact O-N 3.2Å; L185-Y188 VanDerWaalsContact O-N 3.1Å; E186-Y188 PolarHBondContact O-N 3.34Å
189	L	36.5	Very low	46.9	Very low	94 Å²	94	111.4 Å²	111.4	49%	0.492	60%	0.601	S	S	.	*			trans	-98.2	0.1	-170.3	-98.4	153.9	0	0	0	116.7	L185 C191	L185-L189 HydrophobicContact CB-CD1 3.4Å; L185-L189 VanDerWaalsContact CB-CD1 3.4Å; L185-L189 HydrophobicContact CD1-CD1 4.13Å; L185-L189 HydrophobicContact CD2-CD1 3.55Å; L185-L189 HydrophobicContact CD2-CG 4.46Å; L185-L189 HydrophobicContact CG-CD1 3.84Å; L185-L189 WeakPolarHBondContact O-CB 3.24Å; L185-L189 WeakPolarHBondContact O-CD1 3.43Å; L185-L189 PolarHBondContact O-N 2.79Å; L189-C191 PolarHBondContact O-N 3.37Å
190	L	28.6	Very low	45.1	Very low	159 Å²	159	116.1 Å²	116.1	83%	0.832	63%	0.631	S	S	*	*			trans	-97.7	86.8	174.9	-73.7	160.7	0	0	0	110
191	C	34.9	Very low	43.3	Very low	164 Å²	164	120.7 Å²	120.7	100%	1.108	63%	0.627	S	S	*	*			trans	176.6	0	150.5	-91.4	0	0	0	0	108.5	L189	L189-C191 PolarHBondContact O-N 3.37Å

Retrieved 191 of 191 residues in 436.7 ms (Link to these results)

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