A0A087XS76_POEFO Loading...

N-acetyltransferase 8

AlphaFold DB , UniProt , Accession A0A087XS76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 237 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	S	41.8	Very low	34.8	Very low	180 Å²	180	134.1 Å²	134.1	100%	1.259	85%	0.852	S	S	*	*				0	89.2	0	-54	0	0	0	0	108.5
2	E	36.8	Very low	34.9	Very low	201 Å²	201	130.9 Å²	130.9	94%	0.939	83%	0.833	S	S	*	*			trans	-73.1	142.6	171.8	-67.8	164.3	124.9	0	0	108.8
3	G	34.8	Very low	35.3	Very low	78 Å²	78	132.8 Å²	132.8	80%	0.804	83%	0.833	S	S	*	*			trans	-166.1	66.8	-178.2	0	0	0	0	0	110.6	G5	G3-G5 PolarHBondContact O-N 3.42Å
4	S	34.1	Very low	35.8	Very low	119 Å²	119	136.2 Å²	136.2	83%	0.832	83%	0.83	S	S	*	*			trans	-74.7	106.1	169.8	38.7	0	0	0	0	110
5	G	36.4	Very low	35.9	Very low	80 Å²	80	131.9 Å²	131.9	83%	0.825	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-80.8	122.3	172.5	0	0	0	0	0	111.5	G3	G3-G5 PolarHBondContact O-N 3.42Å
6	Q	33.3	Very low	36.2	Very low	194 Å²	194	130.3 Å²	130.3	91%	0.907	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-59.3	132.9	-178.9	-75.3	151.1	-27.7	0	0	113.4
7	G	33.9	Very low	36.6	Very low	62 Å²	62	132.6 Å²	132.6	64%	0.639	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-77.1	153	160.6	0	0	0	0	0	111	S9	G7-S9 PolarHBondContact O-N 3.21Å
8	P	32.6	Very low	37.4	Very low	128 Å²	128	136.6 Å²	136.6	83%	0.831	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-70.7	120.7	-177.4	27.9	-31.2	0	0	0	110.5	L10	P8-L10 PolarHBondContact O-N 3.28Å
9	S	31.6	Very low	38.6	Very low	97 Å²	97	132.2 Å²	132.2	68%	0.678	80%	0.797	S	S	*	*			trans	-68.9	103.9	167.9	37.8	0	0	0	0	109.7	G7 H11	G7-S9 PolarHBondContact O-N 3.21Å; S9-H11 VanDerWaalsContact C-N 3.29Å; S9-H11 PolarHBondContact O-N 3.32Å
10	L	32.9	Very low	40.6	Very low	170 Å²	170	133.2 Å²	133.2	89%	0.89	79%	0.79	S	S	*	*			trans	-69.5	89.6	162.3	-83.5	150.9	0	0	0	108.1	P8 P12	P8-L10 PolarHBondContact O-N 3.28Å; L10-P12 VanDerWaalsContact O-CD 3.26Å; L10-P12 WeakPolarHBondContact O-CD 3.26Å
11	H	34.4	Very low	43	Very low	166 Å²	166	130.2 Å²	130.2	77%	0.769	77%	0.77	S	S	*	*			trans	-77	116.2	156.5	-89.2	-83.3	0	0	0	107.9	S9 D13	S9-H11 VanDerWaalsContact C-N 3.29Å; S9-H11 PolarHBondContact O-N 3.32Å; H11-D13 PolarHBondContact O-N 2.99Å
12	P	36.2	Very low	45.6	Very low	96 Å²	96	125.2 Å²	125.2	62%	0.623	73%	0.732	S	S	*	*			trans	-77.9	108.8	156.6	31.3	-27.7	0	0	0	107.5	L10 F14	L10-P12 VanDerWaalsContact O-CD 3.26Å; L10-P12 WeakPolarHBondContact O-CD 3.26Å; P12-F14 HydrophobicContact CB-CD2 3.87Å; P12-F14 HydrophobicContact CB-CE2 3.93Å; P12-F14 PolarHBondContact O-N 3.25Å
13	D	40.5	Very low	48.5	Very low	155 Å²	155	118 Å²	118	83%	0.829	70%	0.699	S	S	*	*			trans	-61.5	108.9	161.6	-169.8	12.9	0	0	0	108.3	H11	H11-D13 PolarHBondContact O-N 2.99Å
14	F	41.4	Very low	51.5	Low	181 Å²	181	116.8 Å²	116.8	79%	0.794	67%	0.67	S	S	*	*			trans	-128.7	91.8	170.4	-87.4	-73.2	0	0	0	109	P12 S16	P12-F14 HydrophobicContact CB-CD2 3.87Å; P12-F14 HydrophobicContact CB-CE2 3.93Å; P12-F14 PolarHBondContact O-N 3.25Å; F14-S16 PolarHBondContact O-N 3.31Å
15	G	37.9	Very low	54.5	Low	72 Å²	72	117.1 Å²	117.1	74%	0.742	66%	0.657	S	S	*	*			trans	-71.9	115.6	159.9	0	0	0	0	0	111.2
16	S	40.9	Very low	57.4	Low	106 Å²	106	113.8 Å²	113.8	74%	0.741	62%	0.619	S	S	*	*	S	Bend	trans	-178	117.5	134.4	67.6	0	0	0	0	108.9	F14 R18	F14-S16 PolarHBondContact O-N 3.31Å; S16-R18 PolarHBondContact O-N 3.49Å
17	D	42	Very low	60.4	Low	169 Å²	169	109 Å²	109	90%	0.904	60%	0.597	S	S	*	*			trans	-18.8	87.3	171.8	-60.2	-33.3	0	0	0	116.4	C19	D17-C19 VanDerWaalsContact C-N 3.34Å; D17-C19 PolarHBondContact O-N 2.92Å; D17-C19 VanDerWaalsContact O-N 3.07Å
18	R	52.4	Low	63.4	Low	204 Å²	204	111.2 Å²	111.2	77%	0.77	59%	0.594	S	S	*	*			trans	-76.7	94.1	160.1	-81.6	-167.3	-76.4	-140.2	-3.8	107.6	S16 F20	S16-R18 PolarHBondContact O-N 3.49Å; R18-F20 WeakPolarHBondContact O-CD2 3.08Å; R18-F20 WeakPolarHBondContact O-CE2 3.5Å; R18-F20 PolarHBondContact O-N 3.14Å
19	C	59.4	Low	66.3	Low	53 Å²	53	113.3 Å²	113.3	36%	0.358	59%	0.593	S	S	.	*			trans	-52.7	102	164.8	-163.6	0	0	0	0	107.7	D17 L21 S131 D132	D17-C19 VanDerWaalsContact C-N 3.34Å; D17-C19 PolarHBondContact O-N 2.92Å; D17-C19 VanDerWaalsContact O-N 3.07Å; C19-L21 PolarHBondContact O-N 3.07Å; C19-L21 VanDerWaalsContact O-N 3.08Å; C19-S131 PolarHBondContact SG-OG 2.73Å; C19-D132 PolarHBondContact SG-OD2 3.36Å
20	F	78.4	Confident	69.4	Low	153 Å²	153	109.3 Å²	109.3	67%	0.671	56%	0.564	S	S	*	*			trans	-74.4	102.1	-174.3	-77.2	-85.4	0	0	0	108.5	R18	R18-F20 WeakPolarHBondContact O-CD2 3.08Å; R18-F20 WeakPolarHBondContact O-CE2 3.5Å; R18-F20 PolarHBondContact O-N 3.14Å
21	L	92.3	Very high	72.4	Confident	70 Å²	70	102.2 Å²	102.2	37%	0.366	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	120.2	172.1	-176.4	72.8	0	0	0	109.3	C19 A129 E130 I167	C19-L21 PolarHBondContact O-N 3.07Å; C19-L21 VanDerWaalsContact O-N 3.08Å; L21-A129 HydrophobicContact CD1-CB 4.11Å; L21-E130 WeakPolarHBondContact CA-O 3.38Å; L21-I167 HydrophobicContact CD1-CD1 3.83Å; L21-I167 HydrophobicContact CD1-CG1 3.78Å; L21-I167 HydrophobicContact CD1-CG2 4.3Å; L21-I167 HydrophobicContact CD2-CG1 3.87Å; L21-I167 HydrophobicContact CG-CG1 4.5Å
22	V	95.9	Very high	75.3	Confident	75 Å²	75	100.5 Å²	100.5	46%	0.455	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126	175.9	179.8	0	0	0	0	109	E130	V22-E130 PolarHBondContact N-O 3.04Å; V22-E130 PolarHBondContact O-N 2.93Å
23	I	97.8	Very high	78.1	Confident	50 Å²	50	98.1 Å²	98.1	26%	0.256	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.1	168.7	-62.4	177.2	0	0	0	107.6	W127 V128 A129 A170 L171 T174	I23-W127 HydrophobicContact CG2-CB 4.02Å; I23-W127 HydrophobicContact CG2-CG 4.32Å; I23-V128 WeakPolarHBondContact CA-O 3.48Å; I23-A129 HydrophobicContact CG1-CB 4.39Å; I23-A170 HydrophobicContact CD1-CB 3.56Å; I23-L171 HydrophobicContact CD1-CD2 4.1Å; I23-L171 HydrophobicContact CD1-CG 4.29Å; I23-L171 HydrophobicContact CG1-CD2 4.3Å; I23-L171 HydrophobicContact CG2-CD2 4.19Å; I23-T174 HydrophobicContact CG2-CG2 4.19Å
24	R	97.3	Very high	80.8	Confident	52 Å²	52	90.8 Å²	90.8	20%	0.196	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	164.1	178	60.6	169.8	177.9	77	-1	110.4	D30 W127 V128 E130	R24-D30 IonicContact CZ-OD1 3.14Å; R24-D30 IonicContact CZ-OD2 3.26Å; R24-D30 IonicContact NH1-OD1 3.35Å; R24-D30 IonicContact NH1-OD2 2.72Å; R24-D30 PolarHBondContact NH1-OD2 3.5Å; R24-D30 IonicContact NH2-OD1 3.44Å; R24-D30 PolarHBondContact NH2-OD1 3.33Å; R24-D30 IonicContact NH2-OD2 2.77Å; R24-W127 CarbonylContact O-C 3.56Å; R24-W127 VanDerWaalsContact O-CA 3.28Å; R24-W127 WeakPolarHBondContact O-CA 3.21Å; R24-W127 WeakPolarHBondContact O-CB 3.49Å; R24-V128 HydrophobicContact CG-CG2 3.74Å; R24-V128 PolarHBondContact N-O 3.08Å; R24-V128 VanDerWaalsContact NH1-CG2 3.27Å; R24-V128 PolarHBondContact O-N 3.3Å; R24-E130 IonicContact CZ-OE2 2.67Å; R24-E130 VanDerWaalsContact CZ-OE2 3.23Å; R24-E130 IonicContact NE-OE2 3.76Å; R24-E130 PolarHBondContact NE-OE2 2.97Å; R24-E130 IonicContact NH2-OE2 2.73Å; R24-E130 PolarHBondContact NH2-OE2 2.67Å
25	K	97.4	Very high	83.4	Confident	126 Å²	126	84.4 Å²	84.4	55%	0.548	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	147.8	170.4	-67.5	-175.2	-179.7	178.1	0	109.8	F126	K25-F126 WeakPolarHBondContact CA-O 3.37Å
26	Y	97.6	Very high	86.2	Confident	10 Å²	10	85.9 Å²	85.9	4%	0.039	43%	0.425	C	S	.	.			trans	-54.2	144	171.4	169.5	-93.5	0	0	0	111.5	D30 S31 V34 I114 L119 F126 V128	Y26-D30 HydrophobicContact CD2-CB 3.84Å; Y26-D30 HydrophobicContact CE2-CB 3.79Å; Y26-S31 WeakPolarHBondContact OH-CA 3.5Å; Y26-S31 VanDerWaalsContact OH-CB 3.22Å; Y26-S31 WeakPolarHBondContact OH-CB 3.27Å; Y26-V34 HydrophobicContact CD2-CG2 4.01Å; Y26-V34 HydrophobicContact CE2-CG2 4.02Å; Y26-I114 HydrophobicContact CD1-CB 4.22Å; Y26-I114 HydrophobicContact CD1-CG2 3.61Å; Y26-I114 HydrophobicContact CD2-CD1 4.3Å; Y26-I114 HydrophobicContact CD2-CG2 4.1Å; Y26-I114 HydrophobicContact CE1-CB 3.73Å; Y26-I114 HydrophobicContact CE1-CG2 3.66Å; Y26-I114 HydrophobicContact CE2-CB 4.29Å; Y26-I114 HydrophobicContact CE2-CD1 3.57Å; Y26-I114 HydrophobicContact CE2-CG2 4.12Å; Y26-I114 HydrophobicContact CG-CG2 3.84Å; Y26-L119 HydrophobicContact CD1-CD1 3.92Å; Y26-F126 HydrophobicContact CD2-CD1 4.29Å; Y26-F126 HydrophobicContact CG-CD1 4.28Å; Y26-F126 PolarHBondContact N-O 2.92Å; Y26-V128 HydrophobicContact CD2-CG1 4.35Å
27	Q	96.4	Very high	88.8	Confident	95 Å²	95	81.3 Å²	81.3	44%	0.444	39%	0.392	S	S	.	.			trans	-124.3	152.1	169.7	-60.5	177.9	19.7	0	0	108.7	E29 D30	Q27-E29 PolarHBondContact O-N 2.88Å; Q27-E29 VanDerWaalsContact O-N 3.07Å; Q27-D30 PolarHBondContact N-OD2 3.02Å; Q27-D30 VanDerWaalsContact O-CB 3.29Å; Q27-D30 WeakPolarHBondContact O-CB 3.37Å; Q27-D30 PolarHBondContact O-N 3.37Å
28	D	95.3	Very high	91.3	Very high	107 Å²	107	73.9 Å²	73.9	57%	0.572	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25.4	-175.1	-68.9	-36.6	0	0	0	113.4	D30 S31 S115	D28-D30 PolarHBondContact O-N 3.09Å; D28-S31 VanDerWaalsContact O-CB 3.3Å; D28-S31 WeakPolarHBondContact O-CB 3.48Å; D28-S31 PolarHBondContact O-N 3.37Å; D28-S115 PolarHBondContact OD1-OG 3.28Å
29	E	95.1	Very high	93.3	Very high	173 Å²	173	66 Å²	66	81%	0.808	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-63.1	-25.3	173	-61	176.2	-159.5	0	0	112.9	Q27 S31	Q27-E29 PolarHBondContact O-N 2.88Å; Q27-E29 VanDerWaalsContact O-N 3.07Å; E29-S31 VanDerWaalsContact C-N 3.28Å; E29-S31 PolarHBondContact O-N 3.22Å
30	D	96.1	Very high	94.9	Very high	13 Å²	13	66.4 Å²	66.4	7%	0.07	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-78.1	-11.8	179.7	-55.8	-51.2	0	0	0	112.5	R24 Y26 Q27 D28 E32 T33 V34 V128 V135	R24-D30 IonicContact CZ-OD1 3.14Å; R24-D30 IonicContact CZ-OD2 3.26Å; R24-D30 IonicContact NH1-OD1 3.35Å; R24-D30 IonicContact NH1-OD2 2.72Å; R24-D30 PolarHBondContact NH1-OD2 3.5Å; R24-D30 IonicContact NH2-OD1 3.44Å; R24-D30 PolarHBondContact NH2-OD1 3.33Å; R24-D30 IonicContact NH2-OD2 2.77Å; Y26-D30 HydrophobicContact CD2-CB 3.84Å; Y26-D30 HydrophobicContact CE2-CB 3.79Å; Q27-D30 PolarHBondContact N-OD2 3.02Å; Q27-D30 VanDerWaalsContact O-CB 3.29Å; Q27-D30 WeakPolarHBondContact O-CB 3.37Å; Q27-D30 PolarHBondContact O-N 3.37Å; D28-D30 PolarHBondContact O-N 3.09Å; D30-E32 PolarHBondContact O-N 3.07Å; D30-T33 PolarHBondContact O-N 2.97Å; D30-V34 HydrophobicContact CB-CG2 4.1Å; D30-V34 WeakPolarHBondContact O-CG2 3.33Å; D30-V34 PolarHBondContact O-N 3.21Å; D30-V128 HydrophobicContact CB-CG1 4.44Å; D30-V135 HydrophobicContact CB-CG2 4.35Å; D30-V135 WeakPolarHBondContact OD1-CG2 3.4Å
31	S	95.1	Very high	95.4	Very high	20 Å²	20	59.5 Å²	59.5	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-48.6	-52.9	-168.1	-167.4	0	0	0	0	113.3	Y26 D28 E29 T33 V34 K35	Y26-S31 WeakPolarHBondContact OH-CA 3.5Å; Y26-S31 VanDerWaalsContact OH-CB 3.22Å; Y26-S31 WeakPolarHBondContact OH-CB 3.27Å; D28-S31 VanDerWaalsContact O-CB 3.3Å; D28-S31 WeakPolarHBondContact O-CB 3.48Å; D28-S31 PolarHBondContact O-N 3.37Å; E29-S31 VanDerWaalsContact C-N 3.28Å; E29-S31 PolarHBondContact O-N 3.22Å; S31-T33 PolarHBondContact O-N 3.31Å; S31-V34 PolarHBondContact O-N 3.44Å; S31-K35 VanDerWaalsContact O-CG 3.29Å; S31-K35 WeakPolarHBondContact O-CG 3.46Å; S31-K35 PolarHBondContact O-N 3.01Å; S31-K35 VanDerWaalsContact OG-CE 3.28Å; S31-K35 WeakPolarHBondContact OG-CE 3.46Å; S31-K35 PolarHBondContact OG-NZ 3.03Å
32	E	95.2	Very high	95.3	Very high	130 Å²	130	58 Å²	58	61%	0.607	29%	0.293	S	S	*	.	H	α-helix	trans	-66.9	-38.9	-177.3	-65.4	-54.5	118.9	0	0	111.8	D30 V34 K35 E36	D30-E32 PolarHBondContact O-N 3.07Å; E32-V34 PolarHBondContact O-N 3.5Å; E32-K35 PolarHBondContact O-N 3.36Å; E32-K35 IonicContact OE1-NZ 3.27Å; E32-K35 PolarHBondContact OE1-NZ 3.05Å; E32-E36 WeakPolarHBondContact O-CB 3.35Å; E32-E36 PolarHBondContact O-N 3.35Å
33	T	96.2	Very high	95	Very high	47 Å²	47	57 Å²	57	29%	0.288	29%	0.286	S	S	.	.	H	α-helix	trans	-67.1	-38.6	177.3	-54.2	0	0	0	0	111.3	D30 S31 E36 L37 V135	D30-T33 PolarHBondContact O-N 2.97Å; S31-T33 PolarHBondContact O-N 3.31Å; T33-E36 PolarHBondContact O-N 3.46Å; T33-L37 WeakPolarHBondContact O-CB 3.38Å; T33-L37 PolarHBondContact O-N 3.25Å; T33-V135 HydrophobicContact CG2-CB 3.84Å; T33-V135 HydrophobicContact CG2-CG1 4.26Å
34	V	96.6	Very high	94.6	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-46.6	175.9	169.9	0	0	0	0	110.9	Y26 D30 S31 E32 L37 F38 L111 I114 F126 V128 T138	Y26-V34 HydrophobicContact CD2-CG2 4.01Å; Y26-V34 HydrophobicContact CE2-CG2 4.02Å; D30-V34 HydrophobicContact CB-CG2 4.1Å; D30-V34 WeakPolarHBondContact O-CG2 3.33Å; D30-V34 PolarHBondContact O-N 3.21Å; S31-V34 PolarHBondContact O-N 3.44Å; E32-V34 PolarHBondContact O-N 3.5Å; V34-L37 PolarHBondContact O-N 3.03Å; V34-F38 WeakPolarHBondContact O-CB 3.36Å; V34-F38 PolarHBondContact O-N 2.97Å; V34-L111 HydrophobicContact CG1-CD2 4.38Å; V34-I114 HydrophobicContact CB-CD1 4.25Å; V34-I114 HydrophobicContact CG1-CD1 3.8Å; V34-F126 HydrophobicContact CG1-CE1 4.02Å; V34-F126 HydrophobicContact CG1-CE2 4.42Å; V34-F126 HydrophobicContact CG1-CZ 3.52Å; V34-F126 HydrophobicContact CG2-CE1 4.24Å; V34-V128 HydrophobicContact CG2-CG1 4.09Å; V34-T138 HydrophobicContact CB-CG2 4.35Å; V34-T138 HydrophobicContact CG1-CG2 4.17Å; V34-T138 HydrophobicContact CG2-CG2 3.82Å
35	K	96.1	Very high	94.1	Very high	46 Å²	46	57.1 Å²	57.1	20%	0.2	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-42.1	177.4	-67.9	173.1	-166.1	161	0	111.7	S31 E32 T39 L107 L111	S31-K35 VanDerWaalsContact O-CG 3.29Å; S31-K35 WeakPolarHBondContact O-CG 3.46Å; S31-K35 PolarHBondContact O-N 3.01Å; S31-K35 VanDerWaalsContact OG-CE 3.28Å; S31-K35 WeakPolarHBondContact OG-CE 3.46Å; S31-K35 PolarHBondContact OG-NZ 3.03Å; E32-K35 PolarHBondContact O-N 3.36Å; E32-K35 IonicContact OE1-NZ 3.27Å; E32-K35 PolarHBondContact OE1-NZ 3.05Å; K35-T39 VanDerWaalsContact O-CB 3.31Å; K35-T39 WeakPolarHBondContact O-CB 3.47Å; K35-T39 PolarHBondContact O-N 2.82Å; K35-T39 PolarHBondContact O-OG1 3.38Å; K35-L107 HydrophobicContact CB-CD2 3.69Å; K35-L107 HydrophobicContact CD-CD2 4.23Å; K35-L107 HydrophobicContact CG-CD2 3.62Å; K35-L111 WeakPolarHBondContact CE-O 3.41Å
36	E	95.9	Very high	93.7	Very high	104 Å²	104	52.6 Å²	52.6	49%	0.486	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-49.3	174.4	-173.8	-159.6	149.5	0	0	110.8	E32 T33 F38 T39 S40 R159	E32-E36 WeakPolarHBondContact O-CB 3.35Å; E32-E36 PolarHBondContact O-N 3.35Å; T33-E36 PolarHBondContact O-N 3.46Å; E36-F38 VanDerWaalsContact C-N 3.33Å; E36-F38 PolarHBondContact O-N 2.98Å; E36-T39 PolarHBondContact O-N 3.5Å; E36-S40 VanDerWaalsContact O-CB 3.28Å; E36-S40 WeakPolarHBondContact O-CB 3.46Å; E36-S40 PolarHBondContact O-N 2.99Å; E36-R159 IonicContact OE1-NH2 3.55Å; E36-R159 PolarHBondContact OE1-NH2 2.84Å
37	L	95.8	Very high	93.2	Very high	9 Å²	9	56 Å²	56	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-66.9	-35.4	-176	-168.2	146.9	0	0	0	112	T33 V34 G41 T138 S157 R159	T33-L37 WeakPolarHBondContact O-CB 3.38Å; T33-L37 PolarHBondContact O-N 3.25Å; V34-L37 PolarHBondContact O-N 3.03Å; L37-G41 PolarHBondContact O-N 3.42Å; L37-T138 HydrophobicContact CD2-CG2 4.12Å; L37-S157 WeakPolarHBondContact CD2-OG 3.24Å; L37-S157 PolarHBondContact O-OG 3.23Å; L37-S157 VanDerWaalsContact O-OG 3.09Å; L37-R159 HydrophobicContact CD1-CB 4.17Å
38	F	94.7	Very high	92.8	Very high	14 Å²	14	54.3 Å²	54.3	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-51.2	170.3	171.9	-108.1	0	0	0	111.5	V34 E36 S40 G41 M42 Y102 I103 L107 L111	V34-F38 WeakPolarHBondContact O-CB 3.36Å; V34-F38 PolarHBondContact O-N 2.97Å; E36-F38 VanDerWaalsContact C-N 3.33Å; E36-F38 PolarHBondContact O-N 2.98Å; F38-S40 PolarHBondContact O-N 3.25Å; F38-G41 PolarHBondContact O-N 2.8Å; F38-M42 HydrophobicContact CD2-CG 4.09Å; F38-M42 HydrophobicContact CE1-CG 4.25Å; F38-M42 HydrophobicContact CE2-CG 3.58Å; F38-M42 HydrophobicContact CE2-SD 3.93Å; F38-M42 HydrophobicContact CZ-CG 3.67Å; F38-M42 HydrophobicContact CZ-SD 4.29Å; F38-M42 WeakPolarHBondContact O-CG 3.35Å; F38-M42 PolarHBondContact O-N 3Å; F38-Y102 HydrophobicContact CE2-CE1 4.31Å; F38-Y102 HydrophobicContact CZ-CD1 4.36Å; F38-Y102 AromaticContact CZ-CE1 3.78Å; F38-Y102 HydrophobicContact CZ-CE1 3.78Å; F38-I103 HydrophobicContact CE1-CB 4.5Å; F38-I103 HydrophobicContact CE1-CG1 4.4Å; F38-I103 HydrophobicContact CE1-CG2 4.37Å; F38-L107 HydrophobicContact CD1-CD2 4.28Å; F38-L111 HydrophobicContact CB-CD1 4.21Å; F38-L111 HydrophobicContact CD1-CD1 3.68Å; F38-L111 HydrophobicContact CE1-CD1 4.21Å; F38-L111 HydrophobicContact CG-CD1 3.88Å
39	T	94.3	Very high	92.4	Very high	39 Å²	39	49.4 Å²	49.4	24%	0.239	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-47.2	-179.4	-59.6	0	0	0	0	111.6	K35 E36 M42 N43 I103	K35-T39 VanDerWaalsContact O-CB 3.31Å; K35-T39 WeakPolarHBondContact O-CB 3.47Å; K35-T39 PolarHBondContact O-N 2.82Å; K35-T39 PolarHBondContact O-OG1 3.38Å; E36-T39 PolarHBondContact O-N 3.5Å; T39-M42 PolarHBondContact O-N 3.05Å; T39-N43 WeakPolarHBondContact O-CB 3.2Å; T39-N43 VanDerWaalsContact O-CG 3.31Å; T39-N43 PolarHBondContact O-N 3.25Å; T39-N43 PolarHBondContact O-ND2 3.32Å; T39-I103 HydrophobicContact CG2-CD1 4.43Å; T39-I103 HydrophobicContact CG2-CG2 4.17Å
40	S	93	Very high	92.1	Very high	60 Å²	60	43.2 Å²	43.2	42%	0.42	24%	0.235	S	C	.	.	H	α-helix	trans	-61.3	-47.1	177	-172.8	0	0	0	0	111.3	E36 F38 M42 N43 E44	E36-S40 VanDerWaalsContact O-CB 3.28Å; E36-S40 WeakPolarHBondContact O-CB 3.46Å; E36-S40 PolarHBondContact O-N 2.99Å; F38-S40 PolarHBondContact O-N 3.25Å; S40-M42 VanDerWaalsContact C-N 3.33Å; S40-M42 PolarHBondContact O-N 3.05Å; S40-N43 PolarHBondContact O-N 3.39Å; S40-E44 WeakPolarHBondContact O-CG 3.29Å; S40-E44 PolarHBondContact O-N 2.88Å
41	G	89.9	Confident	91.7	Very high	8 Å²	8	46.7 Å²	46.7	8%	0.082	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-38.7	177.6	0	0	0	0	0	113.3	L37 F38 H45	L37-G41 PolarHBondContact O-N 3.42Å; F38-G41 PolarHBondContact O-N 2.8Å; G41-H45 PolarHBondContact O-CE1 2.77Å; G41-H45 VanDerWaalsContact O-CE1 3.31Å; G41-H45 PolarHBondContact O-ND1 3.26Å
42	M	89.3	Confident	91.4	Very high	38 Å²	38	47.5 Å²	47.5	19%	0.187	25%	0.253	C	S	.	.	H	α-helix	trans	-66.8	-43.5	174.9	-70.9	-56.6	-56	0	0	111.9	F38 T39 S40 E44 H45 F99 Y102 I103	F38-M42 HydrophobicContact CD2-CG 4.09Å; F38-M42 HydrophobicContact CE1-CG 4.25Å; F38-M42 HydrophobicContact CE2-CG 3.58Å; F38-M42 HydrophobicContact CE2-SD 3.93Å; F38-M42 HydrophobicContact CZ-CG 3.67Å; F38-M42 HydrophobicContact CZ-SD 4.29Å; F38-M42 WeakPolarHBondContact O-CG 3.35Å; F38-M42 PolarHBondContact O-N 3Å; T39-M42 PolarHBondContact O-N 3.05Å; S40-M42 VanDerWaalsContact C-N 3.33Å; S40-M42 PolarHBondContact O-N 3.05Å; M42-E44 VanDerWaalsContact C-N 3.25Å; M42-E44 PolarHBondContact O-N 3.03Å; M42-H45 PolarHBondContact O-N 3.21Å; M42-H45 VanDerWaalsContact O-N 3.13Å; M42-F99 HydrophobicContact CE-CD1 3.93Å; M42-F99 HydrophobicContact CE-CE1 3.84Å; M42-F99 WeakPolarHBondContact O-CE1 3.43Å; M42-Y102 HydrophobicContact CE-CD1 3.56Å; M42-Y102 HydrophobicContact CE-CE1 3.53Å; M42-Y102 HydrophobicContact SD-CD1 4.4Å; M42-Y102 HydrophobicContact SD-CE1 3.91Å; M42-I103 HydrophobicContact CB-CD1 3.72Å; M42-I103 HydrophobicContact CB-CG1 3.76Å; M42-I103 HydrophobicContact CG-CG1 4.05Å
43	N	90.4	Very high	91	Very high	56 Å²	56	41.6 Å²	41.6	30%	0.299	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-27.1	-179.3	-76.2	-29	0	0	0	113.8	T39 S40 H45 L46	T39-N43 WeakPolarHBondContact O-CB 3.2Å; T39-N43 VanDerWaalsContact O-CG 3.31Å; T39-N43 PolarHBondContact O-N 3.25Å; T39-N43 PolarHBondContact O-ND2 3.32Å; S40-N43 PolarHBondContact O-N 3.39Å; N43-H45 PolarHBondContact O-N 2.9Å; N43-L46 HydrophobicContact CB-CD1 4.15Å; N43-L46 WeakPolarHBondContact O-CB 3.45Å; N43-L46 WeakPolarHBondContact O-CG 3.35Å; N43-L46 PolarHBondContact O-N 3.19Å; N43-L46 VanDerWaalsContact O-N 3.14Å
44	E	89.9	Confident	90.6	Very high	55 Å²	55	41.3 Å²	41.3	26%	0.257	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.2	175.7	-72.1	-179.2	-167.8	0	0	113.6	S40 M42 P47 R163	S40-E44 WeakPolarHBondContact O-CG 3.29Å; S40-E44 PolarHBondContact O-N 2.88Å; M42-E44 VanDerWaalsContact C-N 3.25Å; M42-E44 PolarHBondContact O-N 3.03Å; E44-P47 WeakPolarHBondContact O-CD 3.3Å; E44-R163 VanDerWaalsContact CD-NH2 3.29Å; E44-R163 IonicContact OE1-CZ 3.07Å; E44-R163 IonicContact OE1-NH2 2.84Å; E44-R163 PolarHBondContact OE1-NH2 3.48Å; E44-R163 IonicContact OE2-CZ 3.12Å; E44-R163 IonicContact OE2-NH1 2.75Å; E44-R163 PolarHBondContact OE2-NH1 3.36Å; E44-R163 IonicContact OE2-NH2 3.23Å; E44-R163 PolarHBondContact OE2-NH2 3.11Å
45	H	86.1	Confident	90.2	Very high	48 Å²	48	49 Å²	49	22%	0.222	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-8.4	178.8	-60.6	90.2	0	0	0	113	G41 M42 N43 S48 S49 F99 V194 A195	G41-H45 PolarHBondContact O-CE1 2.77Å; G41-H45 VanDerWaalsContact O-CE1 3.31Å; G41-H45 PolarHBondContact O-ND1 3.26Å; M42-H45 PolarHBondContact O-N 3.21Å; M42-H45 VanDerWaalsContact O-N 3.13Å; N43-H45 PolarHBondContact O-N 2.9Å; H45-S48 PolarHBondContact O-N 3.07Å; H45-S49 WeakPolarHBondContact O-CB 3.19Å; H45-S49 PolarHBondContact O-N 3.06Å; H45-S49 PolarHBondContact O-OG 3.32Å; H45-F99 HydrophobicContact CB-CE1 3.86Å; H45-F99 HydrophobicContact CB-CZ 4.05Å; H45-V194 HydrophobicContact CB-CG2 4.44Å; H45-A195 WeakPolarHBondContact NE2-CB 3.48Å
46	L	88.1	Confident	89.8	Confident	31 Å²	31	48.8 Å²	48.8	16%	0.162	26%	0.256	C	S	.	.	H	α-helix	trans	-59.1	-49.9	-179.7	-70.8	169.6	0	0	0	112.8	N43 S48 S49 F50 I95 V96 F99	N43-L46 HydrophobicContact CB-CD1 4.15Å; N43-L46 WeakPolarHBondContact O-CB 3.45Å; N43-L46 WeakPolarHBondContact O-CG 3.35Å; N43-L46 PolarHBondContact O-N 3.19Å; N43-L46 VanDerWaalsContact O-N 3.14Å; L46-S48 PolarHBondContact O-N 2.9Å; L46-S49 PolarHBondContact O-N 2.98Å; L46-F50 PolarHBondContact O-N 3.13Å; L46-I95 HydrophobicContact CD2-CG2 3.94Å; L46-V96 HydrophobicContact CD1-CG2 4.34Å; L46-V96 HydrophobicContact CD2-CG2 4.23Å; L46-F99 HydrophobicContact CD2-CB 3.62Å; L46-F99 HydrophobicContact CD2-CD1 4.08Å; L46-F99 HydrophobicContact CD2-CD2 3.64Å; L46-F99 HydrophobicContact CD2-CE2 4.31Å; L46-F99 HydrophobicContact CD2-CG 3.5Å; L46-F99 VanDerWaalsContact CD2-CG 3.5Å; L46-F99 HydrophobicContact CG-CD1 4.47Å; L46-F99 HydrophobicContact CG-CG 4.35Å
47	P	87.7	Confident	89.4	Confident	82 Å²	82	48.3 Å²	48.3	53%	0.532	26%	0.262	S	S	.	.	H	α-helix	trans	-65.2	-39.9	-179.7	-19.4	34.1	0	0	0	111.9	E44 S49 F50 M51	E44-P47 WeakPolarHBondContact O-CD 3.3Å; P47-S49 VanDerWaalsContact C-N 3.33Å; P47-S49 PolarHBondContact O-N 3.3Å; P47-F50 PolarHBondContact O-N 2.88Å; P47-M51 WeakPolarHBondContact O-CB 3.48Å; P47-M51 VanDerWaalsContact O-CG 3.32Å; P47-M51 WeakPolarHBondContact O-CG 3.42Å; P47-M51 PolarHBondContact O-N 2.72Å
48	S	88.3	Confident	89	Confident	60 Å²	60	53 Å²	53	42%	0.42	29%	0.286	S	S	.	.	H	α-helix	trans	-63.6	-39.7	177.5	-59.9	0	0	0	0	111.8	H45 L46 M51 H52	H45-S48 PolarHBondContact O-N 3.07Å; L46-S48 PolarHBondContact O-N 2.9Å; S48-M51 PolarHBondContact O-N 3.41Å; S48-H52 WeakPolarHBondContact O-CB 3.5Å; S48-H52 PolarHBondContact O-N 3.31Å
49	S	86.6	Confident	88.6	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-45.7	174.7	-55.7	0	0	0	0	111.2	H45 L46 P47 M51 H52 V53 F99	H45-S49 WeakPolarHBondContact O-CB 3.19Å; H45-S49 PolarHBondContact O-N 3.06Å; H45-S49 PolarHBondContact O-OG 3.32Å; L46-S49 PolarHBondContact O-N 2.98Å; P47-S49 VanDerWaalsContact C-N 3.33Å; P47-S49 PolarHBondContact O-N 3.3Å; S49-M51 PolarHBondContact O-N 2.89Å; S49-H52 WeakPolarHBondContact O-CB 3.37Å; S49-H52 PolarHBondContact O-N 3.12Å; S49-V53 WeakPolarHBondContact O-CG2 3.48Å; S49-V53 PolarHBondContact O-N 2.94Å; S49-F99 WeakPolarHBondContact OG-CZ 3.4Å
50	F	88.7	Confident	88.4	Confident	43 Å²	43	55.8 Å²	55.8	19%	0.189	30%	0.299	C	S	.	.	H	α-helix	trans	-60	-44.7	175.5	179.5	-101.6	0	0	0	112.3	L46 P47 H52 V53 L54 L88 V91 R92 I95	L46-F50 PolarHBondContact O-N 3.13Å; P47-F50 PolarHBondContact O-N 2.88Å; F50-H52 VanDerWaalsContact C-N 3.29Å; F50-H52 PolarHBondContact O-N 2.93Å; F50-V53 PolarHBondContact O-N 2.96Å; F50-L54 WeakPolarHBondContact O-CB 3.35Å; F50-L54 PolarHBondContact O-N 3.17Å; F50-L88 HydrophobicContact CZ-CD2 4.32Å; F50-V91 HydrophobicContact CD2-CG1 4.2Å; F50-V91 HydrophobicContact CE2-CB 4.4Å; F50-V91 HydrophobicContact CE2-CG1 4.11Å; F50-R92 HydrophobicContact CD2-CB 3.93Å; F50-R92 HydrophobicContact CE2-CB 3.8Å; F50-I95 VanDerWaalsContact CA-CD1 3.49Å; F50-I95 HydrophobicContact CB-CD1 3.99Å; F50-I95 HydrophobicContact CD2-CD1 4.06Å
51	M	88.6	Confident	88.4	Confident	86 Å²	86	58.4 Å²	58.4	42%	0.424	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-33.1	176.2	-71.5	-53.2	-54.5	0	0	112.7	P47 S48 S49 L54 K55	P47-M51 WeakPolarHBondContact O-CB 3.48Å; P47-M51 VanDerWaalsContact O-CG 3.32Å; P47-M51 WeakPolarHBondContact O-CG 3.42Å; P47-M51 PolarHBondContact O-N 2.72Å; S48-M51 PolarHBondContact O-N 3.41Å; S49-M51 PolarHBondContact O-N 2.89Å; M51-L54 HydrophobicContact CE-CD2 4.28Å; M51-L54 HydrophobicContact SD-CD2 4.37Å; M51-K55 WeakPolarHBondContact O-CB 3.45Å; M51-K55 VanDerWaalsContact O-CG 3.31Å; M51-K55 WeakPolarHBondContact O-CG 3.31Å; M51-K55 PolarHBondContact O-N 2.78Å; M51-K55 VanDerWaalsContact O-N 3.13Å
52	H	87.6	Confident	88.5	Confident	37 Å²	37	62.9 Å²	62.9	17%	0.171	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-53.4	172.3	-177.7	-81.8	0	0	0	110.7	S48 S49 F50 L54 K55 E56 M193 V194 I223	S48-H52 WeakPolarHBondContact O-CB 3.5Å; S48-H52 PolarHBondContact O-N 3.31Å; S49-H52 WeakPolarHBondContact O-CB 3.37Å; S49-H52 PolarHBondContact O-N 3.12Å; F50-H52 VanDerWaalsContact C-N 3.29Å; F50-H52 PolarHBondContact O-N 2.93Å; H52-L54 VanDerWaalsContact C-N 3.27Å; H52-L54 PolarHBondContact O-N 3Å; H52-K55 PolarHBondContact O-N 3.04Å; H52-E56 IonicContact CE1-OE1 2.86Å; H52-E56 PolarHBondContact CE1-OE1 3.48Å; H52-E56 IonicContact NE2-OE1 3.36Å; H52-E56 PolarHBondContact O-N 3.33Å; H52-M193 WeakPolarHBondContact NE2-CE 3.38Å; H52-V194 HydrophobicContact CB-CG1 4.2Å; H52-I223 PolarHBondContact CE1-O 3.2Å
53	V	86.9	Confident	88.6	Confident	6 Å²	6	62.1 Å²	62.1	4%	0.036	32%	0.324	C	S	.	.	H	α-helix	trans	-57.6	-42.2	178	-178.1	0	0	0	0	111.3	S49 F50 K55 E56 T59 V91 I95 I223	S49-V53 WeakPolarHBondContact O-CG2 3.48Å; S49-V53 PolarHBondContact O-N 2.94Å; F50-V53 PolarHBondContact O-N 2.96Å; V53-K55 VanDerWaalsContact C-N 3.28Å; V53-K55 PolarHBondContact O-N 3.47Å; V53-E56 PolarHBondContact O-N 3.15Å; V53-T59 VanDerWaalsContact O-CB 3.24Å; V53-T59 WeakPolarHBondContact O-CB 3.44Å; V53-T59 PolarHBondContact O-OG1 3.33Å; V53-T59 VanDerWaalsContact O-OG1 3.14Å; V53-V91 HydrophobicContact CB-CG1 4.37Å; V53-V91 HydrophobicContact CG1-CG1 3.76Å; V53-I95 HydrophobicContact CB-CD1 4.28Å; V53-I95 HydrophobicContact CG2-CD1 3.7Å; V53-I95 HydrophobicContact CG2-CG1 4.49Å; V53-I223 HydrophobicContact CB-CG2 4.47Å; V53-I223 HydrophobicContact CG1-CG2 3.87Å; V53-I223 HydrophobicContact CG2-CB 3.82Å; V53-I223 HydrophobicContact CG2-CD1 3.84Å; V53-I223 HydrophobicContact CG2-CG1 4.36Å; V53-I223 HydrophobicContact CG2-CG2 3.82Å
54	L	88.1	Confident	88.7	Confident	42 Å²	42	64.6 Å²	64.6	22%	0.22	34%	0.335	C	S	.	.	H	α-helix	trans	-63.2	-34.2	178.6	-174.7	61	0	0	0	112.4	F50 M51 H52 E56 Q60 L63 L88	F50-L54 WeakPolarHBondContact O-CB 3.35Å; F50-L54 PolarHBondContact O-N 3.17Å; M51-L54 HydrophobicContact CE-CD2 4.28Å; M51-L54 HydrophobicContact SD-CD2 4.37Å; H52-L54 VanDerWaalsContact C-N 3.27Å; H52-L54 PolarHBondContact O-N 3Å; L54-E56 VanDerWaalsContact C-N 3.34Å; L54-Q60 PolarHBondContact O-NE2 3.36Å; L54-L63 HydrophobicContact CD1-CD1 3.86Å; L54-L88 HydrophobicContact CD1-CD2 3.78Å
55	K	88.1	Confident	88.9	Confident	162 Å²	162	65.1 Å²	65.1	70%	0.704	34%	0.344	S	S	*	.	H	α-helix	trans	-80.2	-13.2	-178.9	-75.8	179.2	178.6	-174.6	0	114.1	M51 H52 V53	M51-K55 WeakPolarHBondContact O-CB 3.45Å; M51-K55 VanDerWaalsContact O-CG 3.31Å; M51-K55 WeakPolarHBondContact O-CG 3.31Å; M51-K55 PolarHBondContact O-N 2.78Å; M51-K55 VanDerWaalsContact O-N 3.13Å; H52-K55 PolarHBondContact O-N 3.04Å; V53-K55 VanDerWaalsContact C-N 3.28Å; V53-K55 PolarHBondContact O-N 3.47Å
56	E	87.6	Confident	89.2	Confident	42 Å²	42	64.5 Å²	64.5	20%	0.196	34%	0.344	C	S	.	.	S	Bend	trans	-64.4	134.4	178.3	-77.2	-66.8	139.8	0	0	111.1	H52 V53 L54 L58 T59 Q60	H52-E56 IonicContact CE1-OE1 2.86Å; H52-E56 PolarHBondContact CE1-OE1 3.48Å; H52-E56 IonicContact NE2-OE1 3.36Å; H52-E56 PolarHBondContact O-N 3.33Å; V53-E56 PolarHBondContact O-N 3.15Å; L54-E56 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 2.93Å; E56-T59 PolarHBondContact O-N 2.92Å; E56-T59 VanDerWaalsContact O-N 3.09Å; E56-Q60 PolarHBondContact O-N 3.29Å; E56-Q60 VanDerWaalsContact O-N 3.09Å
57	P	88.6	Confident	89.5	Confident	93 Å²	93	65.6 Å²	65.6	60%	0.604	35%	0.347	S	S	*	.	H	α-helix	trans	-62.3	-32	-175.1	23.8	-33.6	0	0	0	112.6	Q60 M61	P57-Q60 PolarHBondContact O-N 2.65Å; P57-M61 WeakPolarHBondContact O-CB 3.42Å; P57-M61 PolarHBondContact O-N 3.14Å
58	L	85.9	Confident	89.7	Confident	108 Å²	108	64.9 Å²	64.9	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-65	-40.7	176	-69.4	175.2	0	0	0	112	E56 M61 L62	E56-L58 PolarHBondContact O-N 2.93Å; L58-M61 HydrophobicContact CD2-CE 4.17Å; L58-M61 PolarHBondContact O-N 2.91Å; L58-L62 WeakPolarHBondContact O-CB 3.27Å; L58-L62 PolarHBondContact O-N 2.82Å
59	T	87	Confident	89.9	Confident	27 Å²	27	65.6 Å²	65.6	17%	0.166	35%	0.349	C	S	.	.	H	α-helix	trans	-68.2	-42.7	177.1	-59.4	0	0	0	0	110.9	V53 E56 L62 L63	V53-T59 VanDerWaalsContact O-CB 3.24Å; V53-T59 WeakPolarHBondContact O-CB 3.44Å; V53-T59 PolarHBondContact O-OG1 3.33Å; V53-T59 VanDerWaalsContact O-OG1 3.14Å; E56-T59 PolarHBondContact O-N 2.92Å; E56-T59 VanDerWaalsContact O-N 3.09Å; T59-L62 PolarHBondContact O-N 3.28Å; T59-L63 HydrophobicContact CG2-CD1 4.15Å; T59-L63 HydrophobicContact CG2-CG 4.48Å; T59-L63 VanDerWaalsContact O-CG 3.29Å; T59-L63 WeakPolarHBondContact O-CG 3.38Å; T59-L63 PolarHBondContact O-N 3.21Å
60	Q	90.9	Very high	90.2	Very high	85 Å²	85	67.5 Å²	67.5	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-60.8	-44.9	174.6	-70.2	-65.2	-44	0	0	111.9	L54 E56 P57 L62 L63 M64	L54-Q60 PolarHBondContact O-NE2 3.36Å; E56-Q60 PolarHBondContact O-N 3.29Å; E56-Q60 VanDerWaalsContact O-N 3.09Å; P57-Q60 PolarHBondContact O-N 2.65Å; Q60-L62 PolarHBondContact O-N 2.84Å; Q60-L63 PolarHBondContact O-N 3.41Å; Q60-M64 WeakPolarHBondContact O-CB 3.27Å; Q60-M64 VanDerWaalsContact O-CG 3.28Å; Q60-M64 WeakPolarHBondContact O-CG 3.42Å; Q60-M64 PolarHBondContact O-N 3.02Å
61	M	92.4	Very high	90.3	Very high	114 Å²	114	69.4 Å²	69.4	56%	0.562	37%	0.369	S	S	*	.	H	α-helix	trans	-60.4	-45.4	176	-174.2	-176.3	69.7	0	0	111.3	P57 L58 M64 C65	P57-M61 WeakPolarHBondContact O-CB 3.42Å; P57-M61 PolarHBondContact O-N 3.14Å; L58-M61 HydrophobicContact CD2-CE 4.17Å; L58-M61 PolarHBondContact O-N 2.91Å; M61-M64 PolarHBondContact O-N 3.28Å; M61-C65 VanDerWaalsContact O-CB 3.3Å; M61-C65 WeakPolarHBondContact O-CB 3.31Å; M61-C65 PolarHBondContact O-N 3.45Å; M61-C65 PolarHBondContact O-SG 2.82Å
62	L	90.9	Very high	90.4	Very high	103 Å²	103	69.6 Å²	69.6	54%	0.539	38%	0.384	S	S	.	.	H	α-helix	trans	-60.8	-48.5	178	-177.2	67.4	0	0	0	111.7	L58 T59 Q60 M64 C65 T66	L58-L62 WeakPolarHBondContact O-CB 3.27Å; L58-L62 PolarHBondContact O-N 2.82Å; T59-L62 PolarHBondContact O-N 3.28Å; Q60-L62 PolarHBondContact O-N 2.84Å; L62-M64 PolarHBondContact O-N 3.33Å; L62-C65 PolarHBondContact O-N 3.18Å; L62-T66 WeakPolarHBondContact O-CB 3.39Å; L62-T66 PolarHBondContact O-N 2.79Å; L62-T66 PolarHBondContact O-OG1 3.08Å
63	L	92.2	Very high	90.5	Very high	22 Å²	22	73.2 Å²	73.2	12%	0.115	41%	0.409	C	S	.	.	H	α-helix	trans	-60.9	-44.4	178.9	-69.2	173.8	0	0	0	111.6	L54 T59 Q60 T66 F67 V84 L87 L88	L54-L63 HydrophobicContact CD1-CD1 3.86Å; T59-L63 HydrophobicContact CG2-CD1 4.15Å; T59-L63 HydrophobicContact CG2-CG 4.48Å; T59-L63 VanDerWaalsContact O-CG 3.29Å; T59-L63 WeakPolarHBondContact O-CG 3.38Å; T59-L63 PolarHBondContact O-N 3.21Å; Q60-L63 PolarHBondContact O-N 3.41Å; L63-T66 PolarHBondContact O-N 3.3Å; L63-F67 VanDerWaalsContact O-CB 3.31Å; L63-F67 WeakPolarHBondContact O-CB 3.42Å; L63-F67 PolarHBondContact O-N 2.8Å; L63-V84 HydrophobicContact CD2-CG1 4.27Å; L63-L87 HydrophobicContact CD2-CB 4.25Å; L63-L87 HydrophobicContact CD2-CD1 4.28Å; L63-L88 HydrophobicContact CD1-CD2 3.96Å; L63-L88 HydrophobicContact CD2-CD2 4.32Å
64	M	93.5	Very high	90.3	Very high	107 Å²	107	74 Å²	74	53%	0.527	41%	0.414	S	S	.	.	H	α-helix	trans	-65.3	-44.1	177.5	-73	-58.1	-60.9	0	0	112.1	Q60 M61 L62 F67 C68	Q60-M64 WeakPolarHBondContact O-CB 3.27Å; Q60-M64 VanDerWaalsContact O-CG 3.28Å; Q60-M64 WeakPolarHBondContact O-CG 3.42Å; Q60-M64 PolarHBondContact O-N 3.02Å; M61-M64 PolarHBondContact O-N 3.28Å; L62-M64 PolarHBondContact O-N 3.33Å; M64-F67 PolarHBondContact O-N 3.37Å; M64-C68 WeakPolarHBondContact O-CB 3.43Å; M64-C68 PolarHBondContact O-N 2.84Å; M64-C68 PolarHBondContact O-SG 2.84Å
65	C	93.9	Very high	90	Very high	67 Å²	67	82.1 Å²	82.1	45%	0.453	45%	0.451	S	S	.	.	H	α-helix	trans	-60.7	-48.6	176	-74	0	0	0	0	111.2	M61 L62 F67 C68 S69	M61-C65 VanDerWaalsContact O-CB 3.3Å; M61-C65 WeakPolarHBondContact O-CB 3.31Å; M61-C65 PolarHBondContact O-N 3.45Å; M61-C65 PolarHBondContact O-SG 2.82Å; L62-C65 PolarHBondContact O-N 3.18Å; C65-F67 VanDerWaalsContact C-N 3.31Å; C65-F67 PolarHBondContact O-N 2.85Å; C65-C68 PolarHBondContact O-N 2.75Å; C65-S69 VanDerWaalsContact O-CB 3.3Å; C65-S69 WeakPolarHBondContact O-CB 3.26Å; C65-S69 PolarHBondContact O-N 2.86Å; C65-S69 PolarHBondContact O-OG 3.11Å
66	T	91.9	Very high	90	Very high	35 Å²	35	77.2 Å²	77.2	22%	0.215	44%	0.437	C	S	.	.	H	α-helix	trans	-58.6	-44.8	176.7	-59.4	0	0	0	0	111.4	L62 L63 L70 A83 L87	L62-T66 WeakPolarHBondContact O-CB 3.39Å; L62-T66 PolarHBondContact O-N 2.79Å; L62-T66 PolarHBondContact O-OG1 3.08Å; L63-T66 PolarHBondContact O-N 3.3Å; T66-L70 HydrophobicContact CG2-CD1 3.79Å; T66-L70 HydrophobicContact CG2-CG 4.46Å; T66-L70 WeakPolarHBondContact O-CB 3.1Å; T66-L70 VanDerWaalsContact O-CG 3.25Å; T66-L70 WeakPolarHBondContact O-CG 3.36Å; T66-L70 PolarHBondContact O-N 2.81Å; T66-L70 VanDerWaalsContact O-N 3.09Å; T66-A83 HydrophobicContact CG2-CB 4.4Å; T66-L87 HydrophobicContact CG2-CD1 3.87Å
67	F	93.1	Very high	90.1	Very high	53 Å²	53	81.8 Å²	81.8	23%	0.232	46%	0.457	C	S	.	.	H	α-helix	trans	-63	-51	179.2	-175.1	-95.4	0	0	0	112.2	L63 M64 C65 L70 M71 F77 P80 V81 V84	L63-F67 VanDerWaalsContact O-CB 3.31Å; L63-F67 WeakPolarHBondContact O-CB 3.42Å; L63-F67 PolarHBondContact O-N 2.8Å; M64-F67 PolarHBondContact O-N 3.37Å; C65-F67 VanDerWaalsContact C-N 3.31Å; C65-F67 PolarHBondContact O-N 2.85Å; F67-L70 PolarHBondContact O-N 3.27Å; F67-M71 HydrophobicContact CD1-CE 4.17Å; F67-M71 HydrophobicContact CE1-CE 3.22Å; F67-M71 HydrophobicContact CE1-SD 4.17Å; F67-M71 HydrophobicContact CE2-CE 4.16Å; F67-M71 HydrophobicContact CZ-CE 3.23Å; F67-M71 VanDerWaalsContact O-CB 3.3Å; F67-M71 WeakPolarHBondContact O-CB 3.49Å; F67-M71 PolarHBondContact O-N 3.1Å; F67-F77 HydrophobicContact CE2-CE2 4.49Å; F67-F77 AromaticContact CZ-CE2 3.93Å; F67-F77 HydrophobicContact CZ-CE2 3.93Å; F67-F77 HydrophobicContact CZ-CZ 4.43Å; F67-P80 HydrophobicContact CD2-CB 3.6Å; F67-P80 HydrophobicContact CE2-CB 3.82Å; F67-P80 HydrophobicContact CG-CB 4.31Å; F67-V81 HydrophobicContact CE2-CG2 4.42Å; F67-V84 HydrophobicContact CB-CG2 4.21Å; F67-V84 HydrophobicContact CD2-CG2 4.22Å
68	C	92.6	Very high	90.3	Very high	68 Å²	68	82.5 Å²	82.5	46%	0.459	46%	0.455	S	S	.	.	H	α-helix	trans	-64.1	-43.4	-179.1	-69.5	0	0	0	0	112.4	M64 C65 M71 A72	M64-C68 WeakPolarHBondContact O-CB 3.43Å; M64-C68 PolarHBondContact O-N 2.84Å; M64-C68 PolarHBondContact O-SG 2.84Å; C65-C68 PolarHBondContact O-N 2.75Å; C68-M71 PolarHBondContact O-N 3.29Å; C68-A72 WeakPolarHBondContact O-CB 3.28Å; C68-A72 PolarHBondContact O-N 3.42Å
69	S	91.8	Very high	90.6	Very high	75 Å²	75	81.3 Å²	81.3	52%	0.524	45%	0.449	S	S	.	.	H	α-helix	trans	-64.7	-41.1	178.6	-64.3	0	0	0	0	112.3	C65 A72 T73	C65-S69 VanDerWaalsContact O-CB 3.3Å; C65-S69 WeakPolarHBondContact O-CB 3.26Å; C65-S69 PolarHBondContact O-N 2.86Å; C65-S69 PolarHBondContact O-OG 3.11Å; S69-A72 PolarHBondContact O-N 3.07Å; S69-T73 WeakPolarHBondContact O-CG2 3.36Å; S69-T73 PolarHBondContact O-N 3.06Å; S69-T73 PolarHBondContact O-OG1 2.86Å
70	L	92.9	Very high	90.8	Very high	43 Å²	43	80 Å²	80	23%	0.225	44%	0.441	C	S	.	.	H	α-helix	trans	-71	-35.8	177.2	-71.2	176.2	0	0	0	111.7	T66 F67 A72 T73 S74 L79 P80 A83	T66-L70 HydrophobicContact CG2-CD1 3.79Å; T66-L70 HydrophobicContact CG2-CG 4.46Å; T66-L70 WeakPolarHBondContact O-CB 3.1Å; T66-L70 VanDerWaalsContact O-CG 3.25Å; T66-L70 WeakPolarHBondContact O-CG 3.36Å; T66-L70 PolarHBondContact O-N 2.81Å; T66-L70 VanDerWaalsContact O-N 3.09Å; F67-L70 PolarHBondContact O-N 3.27Å; L70-A72 VanDerWaalsContact C-N 3.34Å; L70-T73 WeakPolarHBondContact CA-OG1 3.33Å; L70-T73 PolarHBondContact O-N 2.87Å; L70-T73 PolarHBondContact O-OG1 2.71Å; L70-S74 WeakPolarHBondContact O-CB 3.47Å; L70-S74 PolarHBondContact O-N 2.99Å; L70-S74 PolarHBondContact O-OG 3.13Å; L70-L79 HydrophobicContact CB-CD2 3.99Å; L70-L79 HydrophobicContact CD1-CD2 3.96Å; L70-L79 HydrophobicContact CD2-CD2 3.54Å; L70-L79 HydrophobicContact CG-CD2 4.03Å; L70-P80 HydrophobicContact CB-CB 4.04Å; L70-P80 HydrophobicContact CB-CG 3.74Å; L70-A83 HydrophobicContact CD1-CB 3.28Å
71	M	91.8	Very high	90.9	Very high	83 Å²	83	78.7 Å²	78.7	41%	0.409	44%	0.438	S	S	.	.	H	α-helix	trans	-67.5	-35.2	175.8	-175.2	173.2	-72.6	0	0	112.2	F67 C68 T73 F77 P80	F67-M71 HydrophobicContact CD1-CE 4.17Å; F67-M71 HydrophobicContact CE1-CE 3.22Å; F67-M71 HydrophobicContact CE1-SD 4.17Å; F67-M71 HydrophobicContact CE2-CE 4.16Å; F67-M71 HydrophobicContact CZ-CE 3.23Å; F67-M71 VanDerWaalsContact O-CB 3.3Å; F67-M71 WeakPolarHBondContact O-CB 3.49Å; F67-M71 PolarHBondContact O-N 3.1Å; C68-M71 PolarHBondContact O-N 3.29Å; M71-T73 VanDerWaalsContact C-N 3.32Å; M71-F77 HydrophobicContact CE-CD2 3.75Å; M71-F77 HydrophobicContact CE-CE2 3.82Å; M71-P80 HydrophobicContact CB-CG 4.19Å
72	A	90.8	Very high	91	Very high	90 Å²	90	77.8 Å²	77.8	74%	0.744	44%	0.435	S	S	*	.	H	α-helix	trans	-71.4	-26.6	177.2	0	0	0	0	0	113.3	C68 S69 L70	C68-A72 WeakPolarHBondContact O-CB 3.28Å; C68-A72 PolarHBondContact O-N 3.42Å; S69-A72 PolarHBondContact O-N 3.07Å; L70-A72 VanDerWaalsContact C-N 3.34Å
73	T	90.5	Very high	91.1	Very high	112 Å²	112	74 Å²	74	69%	0.687	42%	0.419	S	S	*	.	H	α-helix	trans	-100.7	-38.9	-174.5	50.1	0	0	0	0	113.2	S69 L70 M71	S69-T73 WeakPolarHBondContact O-CG2 3.36Å; S69-T73 PolarHBondContact O-N 3.06Å; S69-T73 PolarHBondContact O-OG1 2.86Å; L70-T73 WeakPolarHBondContact CA-OG1 3.33Å; L70-T73 PolarHBondContact O-N 2.87Å; L70-T73 PolarHBondContact O-OG1 2.71Å; M71-T73 VanDerWaalsContact C-N 3.32Å
74	S	82.4	Confident	91.2	Very high	22 Å²	22	74.3 Å²	74.3	15%	0.154	42%	0.422	C	S	.	.			trans	-94.4	122.5	177	69.9	0	0	0	0	109.2	L70 S76	L70-S74 WeakPolarHBondContact O-CB 3.47Å; L70-S74 PolarHBondContact O-N 2.99Å; L70-S74 PolarHBondContact O-OG 3.13Å; S74-S76 PolarHBondContact O-N 2.82Å; S74-S76 PolarHBondContact OG-O 2.91Å
75	Q	81.9	Confident	91.2	Very high	214 Å²	214	73 Å²	73	100%	1	42%	0.42	S	S	*	.	S	Bend	trans	-69.7	27.7	171	-63.7	-160.3	-18.5	0	0	112.5
76	S	87.9	Confident	91.3	Very high	59 Å²	59	75.9 Å²	75.9	41%	0.413	43%	0.43	S	S	.	.			trans	-137.5	131.2	-173.9	178.7	0	0	0	0	110.4	S74 L78 P80	S74-S76 PolarHBondContact O-N 2.82Å; S74-S76 PolarHBondContact OG-O 2.91Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3.04Å; S76-L78 PolarHBondContact OG-N 2.91Å; S76-P80 WeakPolarHBondContact O-CD 3.32Å
77	F	89	Confident	91.3	Very high	137 Å²	137	77.5 Å²	77.5	60%	0.601	44%	0.437	S	S	*	.	S	Bend	trans	-73.3	-22.9	176.9	-174	-99.9	0	0	0	113.2	F67 M71 P80 V81	F67-F77 HydrophobicContact CE2-CE2 4.49Å; F67-F77 AromaticContact CZ-CE2 3.93Å; F67-F77 HydrophobicContact CZ-CE2 3.93Å; F67-F77 HydrophobicContact CZ-CZ 4.43Å; M71-F77 HydrophobicContact CE-CD2 3.75Å; M71-F77 HydrophobicContact CE-CE2 3.82Å; F77-P80 WeakPolarHBondContact O-CD 3.41Å; F77-V81 HydrophobicContact CD1-CG2 3.92Å; F77-V81 HydrophobicContact CE1-CG2 3.51Å; F77-V81 HydrophobicContact CZ-CG2 3.97Å; F77-V81 WeakPolarHBondContact O-CG2 3.49Å
78	L	92.4	Very high	91.3	Very high	109 Å²	109	77.3 Å²	77.3	57%	0.571	44%	0.438	S	S	*	.	H	α-helix	trans	-71.9	-35.9	-172	-172.8	151	0	0	0	112.2	S76 V81 L82	S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3.04Å; S76-L78 PolarHBondContact OG-N 2.91Å; L78-V81 PolarHBondContact O-N 3Å; L78-L82 HydrophobicContact CD2-CD1 3.34Å; L78-L82 HydrophobicContact CD2-CG 3.76Å; L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 3.05Å
79	L	91.6	Very high	91.4	Very high	82 Å²	82	76.6 Å²	76.6	43%	0.429	44%	0.437	S	S	.	.	H	α-helix	trans	-67.4	-46.3	-176	-174	146.7	0	0	0	112.9	L70 V81 L82 A83	L70-L79 HydrophobicContact CB-CD2 3.99Å; L70-L79 HydrophobicContact CD1-CD2 3.96Å; L70-L79 HydrophobicContact CD2-CD2 3.54Å; L70-L79 HydrophobicContact CG-CD2 4.03Å; L79-V81 VanDerWaalsContact C-N 3.32Å; L79-V81 PolarHBondContact O-N 3.14Å; L79-L82 PolarHBondContact O-N 2.97Å; L79-A83 WeakPolarHBondContact O-CB 2.93Å; L79-A83 PolarHBondContact O-N 2.81Å
80	P	92.3	Very high	91.4	Very high	0 Å²	0	75 Å²	75	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-56.7	-42.2	170.5	-23.7	29.9	0	0	0	113.4	F67 L70 M71 S76 F77 A83 V84	F67-P80 HydrophobicContact CD2-CB 3.6Å; F67-P80 HydrophobicContact CE2-CB 3.82Å; F67-P80 HydrophobicContact CG-CB 4.31Å; L70-P80 HydrophobicContact CB-CB 4.04Å; L70-P80 HydrophobicContact CB-CG 3.74Å; M71-P80 HydrophobicContact CB-CG 4.19Å; S76-P80 WeakPolarHBondContact O-CD 3.32Å; F77-P80 WeakPolarHBondContact O-CD 3.41Å; P80-A83 PolarHBondContact O-N 2.81Å; P80-V84 WeakPolarHBondContact O-CG2 3.38Å; P80-V84 PolarHBondContact O-N 2.88Å
81	V	93	Very high	91.2	Very high	57 Å²	57	75.2 Å²	75.2	35%	0.345	44%	0.435	S	S	.	.	H	α-helix	trans	-65.4	-45.5	-179.5	173.1	0	0	0	0	111.5	F67 F77 L78 L79 V84 T85	F67-V81 HydrophobicContact CE2-CG2 4.42Å; F77-V81 HydrophobicContact CD1-CG2 3.92Å; F77-V81 HydrophobicContact CE1-CG2 3.51Å; F77-V81 HydrophobicContact CZ-CG2 3.97Å; F77-V81 WeakPolarHBondContact O-CG2 3.49Å; L78-V81 PolarHBondContact O-N 3Å; L79-V81 VanDerWaalsContact C-N 3.32Å; L79-V81 PolarHBondContact O-N 3.14Å; V81-V84 PolarHBondContact O-N 2.96Å; V81-T85 WeakPolarHBondContact O-CB 3.3Å; V81-T85 PolarHBondContact O-N 3.2Å; V81-T85 PolarHBondContact O-OG1 2.66Å
82	L	94.4	Very high	91.2	Very high	95 Å²	95	78.5 Å²	78.5	50%	0.497	44%	0.443	S	S	.	.	H	α-helix	trans	-62.1	-44.4	175.4	-76	-174.4	0	0	0	111.5	L78 L79 V84 T85 L86	L78-L82 HydrophobicContact CD2-CD1 3.34Å; L78-L82 HydrophobicContact CD2-CG 3.76Å; L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 3.05Å; L79-L82 PolarHBondContact O-N 2.97Å; L82-V84 PolarHBondContact O-N 2.91Å; L82-T85 PolarHBondContact O-N 2.9Å; L82-L86 WeakPolarHBondContact O-CB 3.32Å; L82-L86 WeakPolarHBondContact O-CG 3.12Å; L82-L86 PolarHBondContact O-N 2.94Å
83	A	93.3	Very high	91.2	Very high	24 Å²	24	79.7 Å²	79.7	20%	0.198	43%	0.434	C	S	.	.	H	α-helix	trans	-60.6	-46.6	178.7	0	0	0	0	0	111.7	T66 L70 L79 P80 T85 L86 L87	T66-A83 HydrophobicContact CG2-CB 4.4Å; L70-A83 HydrophobicContact CD1-CB 3.28Å; L79-A83 WeakPolarHBondContact O-CB 2.93Å; L79-A83 PolarHBondContact O-N 2.81Å; P80-A83 PolarHBondContact O-N 2.81Å; A83-T85 VanDerWaalsContact C-N 3.33Å; A83-T85 PolarHBondContact O-N 2.76Å; A83-L86 PolarHBondContact O-N 2.83Å; A83-L87 WeakPolarHBondContact O-CG 3.4Å; A83-L87 PolarHBondContact O-N 3.37Å
84	V	93.8	Very high	91.1	Very high	28 Å²	28	77.6 Å²	77.6	17%	0.17	42%	0.417	C	S	.	.	H	α-helix	trans	-61.5	-42.2	175.7	166.9	0	0	0	0	111.1	L63 F67 P80 V81 L82 L86 L87 L88	L63-V84 HydrophobicContact CD2-CG1 4.27Å; F67-V84 HydrophobicContact CB-CG2 4.21Å; F67-V84 HydrophobicContact CD2-CG2 4.22Å; P80-V84 WeakPolarHBondContact O-CG2 3.38Å; P80-V84 PolarHBondContact O-N 2.88Å; V81-V84 PolarHBondContact O-N 2.96Å; L82-V84 PolarHBondContact O-N 2.91Å; V84-L86 PolarHBondContact O-N 3.17Å; V84-L87 PolarHBondContact O-N 2.73Å; V84-L88 HydrophobicContact CG1-CD1 4.08Å; V84-L88 HydrophobicContact CG1-CG 4.44Å; V84-L88 VanDerWaalsContact O-CG 3.31Å; V84-L88 WeakPolarHBondContact O-CG 3.28Å; V84-L88 PolarHBondContact O-N 3.43Å
85	T	93.9	Very high	91.4	Very high	79 Å²	79	77.1 Å²	77.1	49%	0.485	41%	0.412	S	S	.	.	H	α-helix	trans	-64.3	-42.3	178.7	-60.2	0	0	0	0	111.6	V81 L82 A83 L88 A89	V81-T85 WeakPolarHBondContact O-CB 3.3Å; V81-T85 PolarHBondContact O-N 3.2Å; V81-T85 PolarHBondContact O-OG1 2.66Å; L82-T85 PolarHBondContact O-N 2.9Å; A83-T85 VanDerWaalsContact C-N 3.33Å; A83-T85 PolarHBondContact O-N 2.76Å; T85-L88 PolarHBondContact O-N 2.93Å; T85-A89 WeakPolarHBondContact O-CB 3.18Å; T85-A89 PolarHBondContact O-N 3.38Å
86	L	95.2	Very high	91.8	Very high	129 Å²	129	68.3 Å²	68.3	68%	0.675	37%	0.373	S	S	*	.	H	α-helix	trans	-65.2	-39.9	175.4	-72.4	173	0	0	0	112	L82 A83 V84 A89 G90	L82-L86 WeakPolarHBondContact O-CB 3.32Å; L82-L86 WeakPolarHBondContact O-CG 3.12Å; L82-L86 PolarHBondContact O-N 2.94Å; A83-L86 PolarHBondContact O-N 2.83Å; V84-L86 PolarHBondContact O-N 3.17Å; L86-A89 PolarHBondContact O-N 3.19Å; L86-G90 PolarHBondContact O-N 2.78Å
87	L	92.9	Very high	92	Very high	68 Å²	68	73.6 Å²	73.6	36%	0.356	39%	0.385	S	S	.	.	H	α-helix	trans	-61.2	-47.6	174	-75.2	174.9	0	0	0	111.5	L63 T66 A83 V84 A89 G90 V91	L63-L87 HydrophobicContact CD2-CB 4.25Å; L63-L87 HydrophobicContact CD2-CD1 4.28Å; T66-L87 HydrophobicContact CG2-CD1 3.87Å; A83-L87 WeakPolarHBondContact O-CG 3.4Å; A83-L87 PolarHBondContact O-N 3.37Å; V84-L87 PolarHBondContact O-N 2.73Å; L87-A89 VanDerWaalsContact C-N 3.34Å; L87-A89 PolarHBondContact O-N 2.69Å; L87-G90 PolarHBondContact O-N 3.38Å; L87-V91 WeakPolarHBondContact O-CG2 3.18Å; L87-V91 PolarHBondContact O-N 2.68Å
88	L	92.7	Very high	91.8	Very high	50 Å²	50	69.2 Å²	69.2	26%	0.262	37%	0.367	S	S	.	.	H	α-helix	trans	-62.6	-41	177.2	-69.1	175	0	0	0	111.9	F50 L54 L63 V84 T85 G90 V91 R92	F50-L88 HydrophobicContact CZ-CD2 4.32Å; L54-L88 HydrophobicContact CD1-CD2 3.78Å; L63-L88 HydrophobicContact CD1-CD2 3.96Å; L63-L88 HydrophobicContact CD2-CD2 4.32Å; V84-L88 HydrophobicContact CG1-CD1 4.08Å; V84-L88 HydrophobicContact CG1-CG 4.44Å; V84-L88 VanDerWaalsContact O-CG 3.31Å; V84-L88 WeakPolarHBondContact O-CG 3.28Å; V84-L88 PolarHBondContact O-N 3.43Å; T85-L88 PolarHBondContact O-N 2.93Å; L88-G90 VanDerWaalsContact C-N 3.35Å; L88-V91 PolarHBondContact O-N 3.27Å; L88-R92 WeakPolarHBondContact O-CB 3.35Å; L88-R92 PolarHBondContact O-N 3.07Å
89	A	94.1	Very high	91.6	Very high	53 Å²	53	65.1 Å²	65.1	44%	0.438	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-41.2	174.5	0	0	0	0	0	111.7	T85 L86 L87 R92 Q93	T85-A89 WeakPolarHBondContact O-CB 3.18Å; T85-A89 PolarHBondContact O-N 3.38Å; L86-A89 PolarHBondContact O-N 3.19Å; L87-A89 VanDerWaalsContact C-N 3.34Å; L87-A89 PolarHBondContact O-N 2.69Å; A89-R92 PolarHBondContact O-N 2.99Å; A89-Q93 WeakPolarHBondContact O-CB 3.4Å; A89-Q93 PolarHBondContact O-N 2.61Å
90	G	91.8	Very high	91.6	Very high	41 Å²	41	64.4 Å²	64.4	42%	0.423	34%	0.341	S	S	.	.	H	α-helix	trans	-61.8	-47.1	174.8	0	0	0	0	0	112.5	L86 L87 L88 R92 Q93 M94	L86-G90 PolarHBondContact O-N 2.78Å; L87-G90 PolarHBondContact O-N 3.38Å; L88-G90 VanDerWaalsContact C-N 3.35Å; G90-R92 PolarHBondContact O-N 3.31Å; G90-Q93 PolarHBondContact O-N 3.13Å; G90-M94 VanDerWaalsContact O-CB 3.3Å; G90-M94 WeakPolarHBondContact O-CB 3.44Å; G90-M94 PolarHBondContact O-N 3.09Å
91	V	88.9	Confident	91.4	Very high	47 Å²	47	66.3 Å²	66.3	29%	0.285	36%	0.361	S	S	.	.	H	α-helix	trans	-60.4	-45.6	175	172.2	0	0	0	0	110.9	F50 V53 L87 L88 Q93 M94 I95	F50-V91 HydrophobicContact CD2-CG1 4.2Å; F50-V91 HydrophobicContact CE2-CB 4.4Å; F50-V91 HydrophobicContact CE2-CG1 4.11Å; V53-V91 HydrophobicContact CB-CG1 4.37Å; V53-V91 HydrophobicContact CG1-CG1 3.76Å; L87-V91 WeakPolarHBondContact O-CG2 3.18Å; L87-V91 PolarHBondContact O-N 2.68Å; L88-V91 PolarHBondContact O-N 3.27Å; V91-Q93 PolarHBondContact O-N 2.9Å; V91-M94 WeakPolarHBondContact O-CB 3.4Å; V91-M94 PolarHBondContact O-N 2.85Å; V91-I95 HydrophobicContact CG1-CD1 4.14Å; V91-I95 WeakPolarHBondContact O-CG1 3.5Å; V91-I95 PolarHBondContact O-N 3.31Å
92	R	91.4	Very high	91.2	Very high	152 Å²	152	69.1 Å²	69.1	57%	0.574	37%	0.366	S	S	*	.	H	α-helix	trans	-59.7	-48.1	176.1	-179.4	178.8	173	-89.8	-0.5	111.5	F50 L88 A89 G90 M94 I95 V96	F50-R92 HydrophobicContact CD2-CB 3.93Å; F50-R92 HydrophobicContact CE2-CB 3.8Å; L88-R92 WeakPolarHBondContact O-CB 3.35Å; L88-R92 PolarHBondContact O-N 3.07Å; A89-R92 PolarHBondContact O-N 2.99Å; G90-R92 PolarHBondContact O-N 3.31Å; R92-M94 VanDerWaalsContact C-N 3.28Å; R92-M94 PolarHBondContact O-N 3.27Å; R92-I95 PolarHBondContact O-N 3.01Å; R92-V96 WeakPolarHBondContact O-CG2 3.12Å; R92-V96 PolarHBondContact O-N 2.84Å
93	Q	92.3	Very high	91.1	Very high	116 Å²	116	64.8 Å²	64.8	54%	0.542	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-38.7	179.7	-176.4	59.5	29.5	0	0	111.6	A89 G90 V91 V96 Y97	A89-Q93 WeakPolarHBondContact O-CB 3.4Å; A89-Q93 PolarHBondContact O-N 2.61Å; G90-Q93 PolarHBondContact O-N 3.13Å; V91-Q93 PolarHBondContact O-N 2.9Å; Q93-V96 PolarHBondContact O-N 2.99Å; Q93-Y97 WeakPolarHBondContact O-CB 3.17Å; Q93-Y97 PolarHBondContact O-N 2.75Å
94	M	88.3	Confident	91.1	Very high	67 Å²	67	67.4 Å²	67.4	33%	0.33	35%	0.354	S	S	.	.	H	α-helix	trans	-62.9	-46.4	176.2	-179.6	170.2	-145.1	0	0	112.4	G90 V91 R92 V96 Y97 M98 F219	G90-M94 VanDerWaalsContact O-CB 3.3Å; G90-M94 WeakPolarHBondContact O-CB 3.44Å; G90-M94 PolarHBondContact O-N 3.09Å; V91-M94 WeakPolarHBondContact O-CB 3.4Å; V91-M94 PolarHBondContact O-N 2.85Å; R92-M94 VanDerWaalsContact C-N 3.28Å; R92-M94 PolarHBondContact O-N 3.27Å; M94-V96 VanDerWaalsContact C-N 3.31Å; M94-V96 PolarHBondContact O-N 2.85Å; M94-Y97 WeakPolarHBondContact O-CB 3.38Å; M94-Y97 PolarHBondContact O-N 3.15Å; M94-M98 WeakPolarHBondContact O-CG 3.45Å; M94-M98 PolarHBondContact O-N 3.3Å; M94-F219 HydrophobicContact CE-CB 3.93Å; M94-F219 HydrophobicContact CE-CD1 3.2Å; M94-F219 HydrophobicContact CE-CD2 3.26Å; M94-F219 HydrophobicContact CE-CE1 3.36Å; M94-F219 HydrophobicContact CE-CE2 3.39Å; M94-F219 HydrophobicContact CE-CG 3.15Å; M94-F219 HydrophobicContact CE-CZ 3.45Å; M94-F219 VanDerWaalsContact CE-CZ 3.45Å; M94-F219 HydrophobicContact SD-CD1 4.02Å; M94-F219 HydrophobicContact SD-CE1 4.3Å; M94-F219 HydrophobicContact SD-CG 4.31Å
95	I	88.4	Confident	90.9	Very high	12 Å²	12	68 Å²	68	6%	0.062	36%	0.363	C	S	.	.	H	α-helix	trans	-61.2	-43.2	177	-67.1	171.6	0	0	0	110.4	L46 F50 V53 V91 R92 Y97 M98 F99	L46-I95 HydrophobicContact CD2-CG2 3.94Å; F50-I95 VanDerWaalsContact CA-CD1 3.49Å; F50-I95 HydrophobicContact CB-CD1 3.99Å; F50-I95 HydrophobicContact CD2-CD1 4.06Å; V53-I95 HydrophobicContact CB-CD1 4.28Å; V53-I95 HydrophobicContact CG2-CD1 3.7Å; V53-I95 HydrophobicContact CG2-CG1 4.49Å; V91-I95 HydrophobicContact CG1-CD1 4.14Å; V91-I95 WeakPolarHBondContact O-CG1 3.5Å; V91-I95 PolarHBondContact O-N 3.31Å; R92-I95 PolarHBondContact O-N 3.01Å; I95-Y97 VanDerWaalsContact C-N 3.33Å; I95-Y97 PolarHBondContact O-N 2.79Å; I95-M98 PolarHBondContact O-N 3.06Å; I95-F99 HydrophobicContact CG2-CD2 4Å; I95-F99 HydrophobicContact CG2-CE2 4.12Å; I95-F99 WeakPolarHBondContact O-CD2 3.46Å; I95-F99 PolarHBondContact O-N 2.56Å
96	V	90.8	Very high	90.8	Very high	30 Å²	30	64.5 Å²	64.5	18%	0.182	34%	0.341	C	S	.	.	H	α-helix	trans	-59.4	-44.4	175.2	171.6	0	0	0	0	111.2	L46 R92 Q93 M94 M98 F99 N100	L46-V96 HydrophobicContact CD1-CG2 4.34Å; L46-V96 HydrophobicContact CD2-CG2 4.23Å; R92-V96 WeakPolarHBondContact O-CG2 3.12Å; R92-V96 PolarHBondContact O-N 2.84Å; Q93-V96 PolarHBondContact O-N 2.99Å; M94-V96 VanDerWaalsContact C-N 3.31Å; M94-V96 PolarHBondContact O-N 2.85Å; V96-M98 PolarHBondContact O-N 3.36Å; V96-F99 PolarHBondContact O-N 3.01Å; V96-N100 WeakPolarHBondContact CG1-ND2 3.29Å; V96-N100 WeakPolarHBondContact O-CB 3.5Å; V96-N100 VanDerWaalsContact O-CG 3.26Å; V96-N100 PolarHBondContact O-N 2.92Å; V96-N100 PolarHBondContact O-ND2 3.31Å
97	Y	90.4	Very high	90.6	Very high	169 Å²	169	60.3 Å²	60.3	66%	0.663	32%	0.319	S	S	*	.	H	α-helix	trans	-59.2	-45.5	177	176	-96.2	0	0	0	112.4	Q93 M94 I95 N100 G101	Q93-Y97 WeakPolarHBondContact O-CB 3.17Å; Q93-Y97 PolarHBondContact O-N 2.75Å; M94-Y97 WeakPolarHBondContact O-CB 3.38Å; M94-Y97 PolarHBondContact O-N 3.15Å; I95-Y97 VanDerWaalsContact C-N 3.33Å; I95-Y97 PolarHBondContact O-N 2.79Å; Y97-N100 PolarHBondContact O-N 3.17Å; Y97-G101 PolarHBondContact O-N 3.24Å
98	M	86.7	Confident	90.5	Very high	46 Å²	46	64.3 Å²	64.3	23%	0.227	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-48.5	178.2	-66.8	-66.6	-61.9	0	0	112	M94 I95 V96 G101 Y102 E217	M94-M98 WeakPolarHBondContact O-CG 3.45Å; M94-M98 PolarHBondContact O-N 3.3Å; I95-M98 PolarHBondContact O-N 3.06Å; V96-M98 PolarHBondContact O-N 3.36Å; M98-G101 PolarHBondContact O-N 3.46Å; M98-Y102 PolarHBondContact O-N 2.85Å; M98-E217 HydrophobicContact CE-CB 4Å; M98-E217 HydrophobicContact CE-CG 4.17Å; M98-E217 WeakPolarHBondContact CE-OE2 3.48Å
99	F	87.6	Confident	90.5	Very high	22 Å²	22	67.2 Å²	67.2	10%	0.096	35%	0.35	C	S	.	.	H	α-helix	trans	-64.2	-43	178.2	-91	-102.9	0	0	0	112.1	M42 H45 L46 S49 I95 V96 G101 Y102 I103	M42-F99 HydrophobicContact CE-CD1 3.93Å; M42-F99 HydrophobicContact CE-CE1 3.84Å; M42-F99 WeakPolarHBondContact O-CE1 3.43Å; H45-F99 HydrophobicContact CB-CE1 3.86Å; H45-F99 HydrophobicContact CB-CZ 4.05Å; L46-F99 HydrophobicContact CD2-CB 3.62Å; L46-F99 HydrophobicContact CD2-CD1 4.08Å; L46-F99 HydrophobicContact CD2-CD2 3.64Å; L46-F99 HydrophobicContact CD2-CE2 4.31Å; L46-F99 HydrophobicContact CD2-CG 3.5Å; L46-F99 VanDerWaalsContact CD2-CG 3.5Å; L46-F99 HydrophobicContact CG-CD1 4.47Å; L46-F99 HydrophobicContact CG-CG 4.35Å; S49-F99 WeakPolarHBondContact OG-CZ 3.4Å; I95-F99 HydrophobicContact CG2-CD2 4Å; I95-F99 HydrophobicContact CG2-CE2 4.12Å; I95-F99 WeakPolarHBondContact O-CD2 3.46Å; I95-F99 PolarHBondContact O-N 2.56Å; V96-F99 PolarHBondContact O-N 3.01Å; F99-G101 VanDerWaalsContact C-N 3.32Å; F99-G101 PolarHBondContact O-N 3.04Å; F99-Y102 PolarHBondContact O-N 3.07Å; F99-I103 WeakPolarHBondContact O-CB 3.41Å; F99-I103 VanDerWaalsContact O-CG1 3.24Å; F99-I103 WeakPolarHBondContact O-CG1 3.39Å; F99-I103 PolarHBondContact O-N 2.76Å
100	N	90.9	Very high	90.3	Very high	67 Å²	67	65.8 Å²	65.8	36%	0.358	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-40.8	176	-74.5	-14.2	0	0	0	111.4	V96 Y97 Y102 I103 D104	V96-N100 WeakPolarHBondContact CG1-ND2 3.29Å; V96-N100 WeakPolarHBondContact O-CB 3.5Å; V96-N100 VanDerWaalsContact O-CG 3.26Å; V96-N100 PolarHBondContact O-N 2.92Å; V96-N100 PolarHBondContact O-ND2 3.31Å; Y97-N100 PolarHBondContact O-N 3.17Å; N100-Y102 VanDerWaalsContact C-N 3.34Å; N100-Y102 PolarHBondContact O-N 3.43Å; N100-I103 PolarHBondContact O-N 3.2Å; N100-D104 VanDerWaalsContact O-CB 3.3Å; N100-D104 WeakPolarHBondContact O-CB 3.3Å; N100-D104 PolarHBondContact O-N 3.39Å
101	G	89.6	Confident	90.3	Very high	40 Å²	40	63.9 Å²	63.9	41%	0.412	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-43	174.3	0	0	0	0	0	112.6	Y97 M98 F99 A105	Y97-G101 PolarHBondContact O-N 3.24Å; M98-G101 PolarHBondContact O-N 3.46Å; F99-G101 VanDerWaalsContact C-N 3.32Å; F99-G101 PolarHBondContact O-N 3.04Å; G101-A105 VanDerWaalsContact O-CB 3.25Å; G101-A105 WeakPolarHBondContact O-CB 3.18Å; G101-A105 PolarHBondContact O-N 3.02Å
102	Y	88.4	Confident	90.5	Very high	116 Å²	116	65 Å²	65	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-67.6	-41.5	175.5	175	-94.8	0	0	0	113.1	F38 M42 M98 F99 N100 A105 S106	F38-Y102 HydrophobicContact CE2-CE1 4.31Å; F38-Y102 HydrophobicContact CZ-CD1 4.36Å; F38-Y102 AromaticContact CZ-CE1 3.78Å; F38-Y102 HydrophobicContact CZ-CE1 3.78Å; M42-Y102 HydrophobicContact CE-CD1 3.56Å; M42-Y102 HydrophobicContact CE-CE1 3.53Å; M42-Y102 HydrophobicContact SD-CD1 4.4Å; M42-Y102 HydrophobicContact SD-CE1 3.91Å; M98-Y102 PolarHBondContact O-N 2.85Å; F99-Y102 PolarHBondContact O-N 3.07Å; N100-Y102 VanDerWaalsContact C-N 3.34Å; N100-Y102 PolarHBondContact O-N 3.43Å; Y102-A105 PolarHBondContact O-N 3.19Å; Y102-S106 WeakPolarHBondContact O-CB 3.34Å; Y102-S106 PolarHBondContact O-N 3.27Å; Y102-S106 PolarHBondContact O-OG 2.94Å
103	I	92.1	Very high	90.5	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-60.6	-52.8	175.8	-71.1	164.3	0	0	0	109	F38 T39 M42 F99 N100 A105 S106 L107	F38-I103 HydrophobicContact CE1-CB 4.5Å; F38-I103 HydrophobicContact CE1-CG1 4.4Å; F38-I103 HydrophobicContact CE1-CG2 4.37Å; T39-I103 HydrophobicContact CG2-CD1 4.43Å; T39-I103 HydrophobicContact CG2-CG2 4.17Å; M42-I103 HydrophobicContact CB-CD1 3.72Å; M42-I103 HydrophobicContact CB-CG1 3.76Å; M42-I103 HydrophobicContact CG-CG1 4.05Å; F99-I103 WeakPolarHBondContact O-CB 3.41Å; F99-I103 VanDerWaalsContact O-CG1 3.24Å; F99-I103 WeakPolarHBondContact O-CG1 3.39Å; F99-I103 PolarHBondContact O-N 2.76Å; N100-I103 PolarHBondContact O-N 3.2Å; I103-A105 VanDerWaalsContact C-N 3.33Å; I103-A105 PolarHBondContact O-N 3.01Å; I103-S106 WeakPolarHBondContact O-CB 3.45Å; I103-S106 PolarHBondContact O-N 2.81Å; I103-S106 VanDerWaalsContact O-N 3.11Å; I103-L107 HydrophobicContact CG2-CD1 3.69Å; I103-L107 HydrophobicContact CG2-CG 4.15Å; I103-L107 WeakPolarHBondContact O-CB 2.99Å; I103-L107 VanDerWaalsContact O-CG 3.29Å; I103-L107 WeakPolarHBondContact O-CG 3.47Å; I103-L107 PolarHBondContact O-N 3.43Å
104	D	92.1	Very high	90.6	Very high	78 Å²	78	55.7 Å²	55.7	42%	0.417	29%	0.29	S	S	.	.	H	α-helix	trans	-59.8	-42.5	179.6	-77.8	-8.8	0	0	0	112.1	N100 S106 L107 K108	N100-D104 VanDerWaalsContact O-CB 3.3Å; N100-D104 WeakPolarHBondContact O-CB 3.3Å; N100-D104 PolarHBondContact O-N 3.39Å; D104-S106 VanDerWaalsContact C-N 3.34Å; D104-S106 PolarHBondContact O-N 3.44Å; D104-L107 PolarHBondContact O-N 2.9Å; D104-K108 VanDerWaalsContact O-CB 3.32Å; D104-K108 WeakPolarHBondContact O-CB 3.11Å; D104-K108 VanDerWaalsContact O-CG 3.31Å; D104-K108 WeakPolarHBondContact O-CG 3.48Å; D104-K108 PolarHBondContact O-N 3.32Å
105	A	91	Very high	90.8	Very high	42 Å²	42	53.4 Å²	53.4	35%	0.347	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-43.5	175.7	0	0	0	0	0	111.2	G101 Y102 I103 K108 N109	G101-A105 VanDerWaalsContact O-CB 3.25Å; G101-A105 WeakPolarHBondContact O-CB 3.18Å; G101-A105 PolarHBondContact O-N 3.02Å; Y102-A105 PolarHBondContact O-N 3.19Å; I103-A105 VanDerWaalsContact C-N 3.33Å; I103-A105 PolarHBondContact O-N 3.01Å; A105-K108 PolarHBondContact O-N 2.9Å; A105-N109 WeakPolarHBondContact O-CB 3.44Å; A105-N109 PolarHBondContact O-N 3.05Å; A105-N109 PolarHBondContact O-ND2 3.26Å
106	S	90.6	Very high	90.9	Very high	5 Å²	5	56.5 Å²	56.5	4%	0.035	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-41.7	176.6	-63.6	0	0	0	0	112.3	Y102 I103 D104 D110 L111 R155	Y102-S106 WeakPolarHBondContact O-CB 3.34Å; Y102-S106 PolarHBondContact O-N 3.27Å; Y102-S106 PolarHBondContact O-OG 2.94Å; I103-S106 WeakPolarHBondContact O-CB 3.45Å; I103-S106 PolarHBondContact O-N 2.81Å; I103-S106 VanDerWaalsContact O-N 3.11Å; D104-S106 VanDerWaalsContact C-N 3.34Å; D104-S106 PolarHBondContact O-N 3.44Å; S106-D110 PolarHBondContact O-N 3.24Å; S106-D110 VanDerWaalsContact O-OD1 3.05Å; S106-L111 WeakPolarHBondContact O-CB 3.26Å; S106-L111 PolarHBondContact O-N 3.49Å; S106-L111 VanDerWaalsContact O-N 3.1Å; S106-R155 VanDerWaalsContact CB-NH1 3.31Å; S106-R155 PolarHBondContact OG-NH1 2.92Å; S106-R155 PolarHBondContact OG-NH2 2.72Å
107	L	92.1	Very high	91	Very high	41 Å²	41	56.4 Å²	56.4	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-66.3	-35.8	178.1	-69.3	178.6	0	0	0	112.7	K35 F38 I103 D104 L111 S112	K35-L107 HydrophobicContact CB-CD2 3.69Å; K35-L107 HydrophobicContact CD-CD2 4.23Å; K35-L107 HydrophobicContact CG-CD2 3.62Å; F38-L107 HydrophobicContact CD1-CD2 4.28Å; I103-L107 HydrophobicContact CG2-CD1 3.69Å; I103-L107 HydrophobicContact CG2-CG 4.15Å; I103-L107 WeakPolarHBondContact O-CB 2.99Å; I103-L107 VanDerWaalsContact O-CG 3.29Å; I103-L107 WeakPolarHBondContact O-CG 3.47Å; I103-L107 PolarHBondContact O-N 3.43Å; D104-L107 PolarHBondContact O-N 2.9Å; L107-L111 HydrophobicContact CD2-CB 4.42Å; L107-L111 HydrophobicContact CD2-CD1 4.12Å; L107-L111 CarbonylContact O-C 3.52Å; L107-S112 VanDerWaalsContact O-CA 3.29Å; L107-S112 WeakPolarHBondContact O-CA 3.4Å; L107-S112 WeakPolarHBondContact O-CB 3.5Å; L107-S112 PolarHBondContact O-N 2.76Å
108	K	90.8	Very high	91.2	Very high	152 Å²	152	48.4 Å²	48.4	66%	0.661	26%	0.263	S	S	*	.	H	α-helix	trans	-84.1	-24.2	178.9	-71.9	174.9	-179.6	171	0	113.9	D104 A105 S112	D104-K108 VanDerWaalsContact O-CB 3.32Å; D104-K108 WeakPolarHBondContact O-CB 3.11Å; D104-K108 VanDerWaalsContact O-CG 3.31Å; D104-K108 WeakPolarHBondContact O-CG 3.48Å; D104-K108 PolarHBondContact O-N 3.32Å; A105-K108 PolarHBondContact O-N 2.9Å; K108-S112 WeakPolarHBondContact O-CB 3.28Å; K108-S112 PolarHBondContact O-OG 2.98Å
109	N	91.7	Very high	91.5	Very high	111 Å²	111	49.3 Å²	49.3	59%	0.594	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-103.5	178.7	-66.7	-38.7	0	0	0	110.1	A105 L111 S112	A105-N109 WeakPolarHBondContact O-CB 3.44Å; A105-N109 PolarHBondContact O-N 3.05Å; A105-N109 PolarHBondContact O-ND2 3.26Å; N109-L111 PolarHBondContact O-N 2.92Å; N109-S112 WeakPolarHBondContact O-CB 3.31Å; N109-S112 PolarHBondContact O-N 3.39Å; N109-S112 PolarHBondContact O-OG 3.49Å
110	D	90.1	Very high	91.6	Very high	23 Å²	23	56.7 Å²	56.7	12%	0.123	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.9	-167.7	64.3	-53.2	0	0	0	114.8	S106 T117 Y118 R155	S106-D110 PolarHBondContact O-N 3.24Å; S106-D110 VanDerWaalsContact O-OD1 3.05Å; D110-T117 HydrophobicContact CB-CG2 3.8Å; D110-Y118 HydrophobicContact CB-CE2 3.9Å; D110-Y118 PolarHBondContact OD2-OH 2.92Å; D110-R155 IonicContact OD1-CZ 3.51Å; D110-R155 IonicContact OD1-NE 2.78Å; D110-R155 IonicContact OD1-NH2 2.66Å; D110-R155 PolarHBondContact OD1-NH2 3.3Å; D110-R155 IonicContact OD2-CZ 2.84Å; D110-R155 VanDerWaalsContact OD2-CZ 3.24Å; D110-R155 IonicContact OD2-NE 3.14Å; D110-R155 PolarHBondContact OD2-NE 3.3Å; D110-R155 IonicContact OD2-NH2 2.71Å; D110-R155 PolarHBondContact OD2-NH2 3.35Å
111	L	92.9	Very high	91.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.1	175.6	-61.5	178.6	0	0	0	113.6	V34 K35 F38 S106 L107 N109 I114 F126 R155	V34-L111 HydrophobicContact CG1-CD2 4.38Å; K35-L111 WeakPolarHBondContact CE-O 3.41Å; F38-L111 HydrophobicContact CB-CD1 4.21Å; F38-L111 HydrophobicContact CD1-CD1 3.68Å; F38-L111 HydrophobicContact CE1-CD1 4.21Å; F38-L111 HydrophobicContact CG-CD1 3.88Å; S106-L111 WeakPolarHBondContact O-CB 3.26Å; S106-L111 PolarHBondContact O-N 3.49Å; S106-L111 VanDerWaalsContact O-N 3.1Å; L107-L111 HydrophobicContact CD2-CB 4.42Å; L107-L111 HydrophobicContact CD2-CD1 4.12Å; L107-L111 CarbonylContact O-C 3.52Å; N109-L111 PolarHBondContact O-N 2.92Å; L111-I114 HydrophobicContact CB-CG1 4.46Å; L111-I114 HydrophobicContact CD2-CD1 3.97Å; L111-I114 HydrophobicContact CD2-CG1 3.88Å; L111-F126 HydrophobicContact CD2-CE2 3.94Å; L111-F126 HydrophobicContact CD2-CZ 4.46Å; L111-R155 HydrophobicContact CD2-CG 4.17Å
112	S	91.9	Very high	91.4	Very high	70 Å²	70	64.5 Å²	64.5	49%	0.49	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-40.8	175.4	66.1	0	0	0	0	110.9	L107 K108 N109	L107-S112 VanDerWaalsContact O-CA 3.29Å; L107-S112 WeakPolarHBondContact O-CA 3.4Å; L107-S112 WeakPolarHBondContact O-CB 3.5Å; L107-S112 PolarHBondContact O-N 2.76Å; K108-S112 WeakPolarHBondContact O-CB 3.28Å; K108-S112 PolarHBondContact O-OG 2.98Å; N109-S112 WeakPolarHBondContact O-CB 3.31Å; N109-S112 PolarHBondContact O-N 3.39Å; N109-S112 PolarHBondContact O-OG 3.49Å
113	D	92.1	Very high	91.7	Very high	71 Å²	71	61.4 Å²	61.4	38%	0.38	31%	0.313	S	S	.	.	S	Bend	trans	-136.7	90.4	171.5	-164.7	-34.2	0	0	0	109.4	S115 E116 T117	D113-S115 VanDerWaalsContact C-N 3.29Å; D113-S115 PolarHBondContact O-N 2.87Å; D113-S115 PolarHBondContact OD1-N 3.22Å; D113-E116 HydrophobicContact CB-CB 4.1Å; D113-E116 HydrophobicContact CB-CG 4.23Å; D113-E116 WeakPolarHBondContact OD1-CB 3.38Å; D113-E116 WeakPolarHBondContact OD1-CG 3.29Å; D113-E116 PolarHBondContact OD1-N 3.22Å; D113-E116 WeakPolarHBondContact OD2-CG 3.4Å; D113-T117 WeakPolarHBondContact O-CB 3.28Å; D113-T117 PolarHBondContact O-N 2.93Å; D113-T117 VanDerWaalsContact O-N 3.09Å; D113-T117 PolarHBondContact O-OG1 3.13Å
114	I	93.5	Very high	91.9	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-65	-38.1	-178.9	-64.7	170.4	0	0	0	110.2	Y26 V34 L111 T117 Y118 F126	Y26-I114 HydrophobicContact CD1-CB 4.22Å; Y26-I114 HydrophobicContact CD1-CG2 3.61Å; Y26-I114 HydrophobicContact CD2-CD1 4.3Å; Y26-I114 HydrophobicContact CD2-CG2 4.1Å; Y26-I114 HydrophobicContact CE1-CB 3.73Å; Y26-I114 HydrophobicContact CE1-CG2 3.66Å; Y26-I114 HydrophobicContact CE2-CB 4.29Å; Y26-I114 HydrophobicContact CE2-CD1 3.57Å; Y26-I114 HydrophobicContact CE2-CG2 4.12Å; Y26-I114 HydrophobicContact CG-CG2 3.84Å; V34-I114 HydrophobicContact CB-CD1 4.25Å; V34-I114 HydrophobicContact CG1-CD1 3.8Å; L111-I114 HydrophobicContact CB-CG1 4.46Å; L111-I114 HydrophobicContact CD2-CD1 3.97Å; L111-I114 HydrophobicContact CD2-CG1 3.88Å; I114-T117 PolarHBondContact O-N 3.3Å; I114-Y118 HydrophobicContact CG2-CD2 4.09Å; I114-Y118 WeakPolarHBondContact O-CB 3.3Å; I114-Y118 PolarHBondContact O-N 3.46Å; I114-F126 HydrophobicContact CG2-CB 4.04Å; I114-F126 HydrophobicContact CG2-CD1 4.48Å; I114-F126 HydrophobicContact CG2-CD2 3.54Å; I114-F126 HydrophobicContact CG2-CE2 4.09Å; I114-F126 HydrophobicContact CG2-CG 3.78Å
115	S	92.4	Very high	92.2	Very high	18 Å²	18	58 Å²	58	13%	0.126	30%	0.295	C	S	.	.	I	π-helix	trans	-66.5	-46.8	-177.3	-77.4	0	0	0	0	111.6	D28 D113 L119 R120	D28-S115 PolarHBondContact OD1-OG 3.28Å; D113-S115 VanDerWaalsContact C-N 3.29Å; D113-S115 PolarHBondContact O-N 2.87Å; D113-S115 PolarHBondContact OD1-N 3.22Å; S115-L119 WeakPolarHBondContact O-CA 3.22Å; S115-L119 WeakPolarHBondContact O-CB 3.31Å; S115-L119 PolarHBondContact O-N 3.48Å; S115-R120 PolarHBondContact O-N 3.46Å
116	E	92.4	Very high	92.5	Very high	78 Å²	78	56 Å²	56	36%	0.364	28%	0.279	S	S	.	.	I	π-helix	trans	-62.6	-42.8	173.1	-70.8	-68.1	165.2	0	0	112	D113 R120	D113-E116 HydrophobicContact CB-CB 4.1Å; D113-E116 HydrophobicContact CB-CG 4.23Å; D113-E116 WeakPolarHBondContact OD1-CB 3.38Å; D113-E116 WeakPolarHBondContact OD1-CG 3.29Å; D113-E116 PolarHBondContact OD1-N 3.22Å; D113-E116 WeakPolarHBondContact OD2-CG 3.4Å; E116-R120 IonicContact OE1-CZ 3.97Å; E116-R120 IonicContact OE1-NE 3.56Å; E116-R120 PolarHBondContact OE1-NE 3.41Å; E116-R120 IonicContact OE1-NH1 3.8Å; E116-R120 PolarHBondContact OE1-NH1 3.41Å; E116-R120 IonicContact OE1-NH2 3.52Å; E116-R120 PolarHBondContact OE1-NH2 3.17Å; E116-R120 VanDerWaalsContact OE2-CD 3.3Å; E116-R120 WeakPolarHBondContact OE2-CD 3.32Å; E116-R120 IonicContact OE2-CZ 3.97Å; E116-R120 IonicContact OE2-NE 3.09Å; E116-R120 IonicContact OE2-NH1 2.68Å
117	T	92.5	Very high	92.9	Very high	28 Å²	28	56.7 Å²	56.7	17%	0.172	28%	0.281	C	S	.	.	I	π-helix	trans	-75.2	-39.7	-172	-56.5	0	0	0	0	113	D110 D113 I114 K121	D110-T117 HydrophobicContact CB-CG2 3.8Å; D113-T117 WeakPolarHBondContact O-CB 3.28Å; D113-T117 PolarHBondContact O-N 2.93Å; D113-T117 VanDerWaalsContact O-N 3.09Å; D113-T117 PolarHBondContact O-OG1 3.13Å; I114-T117 PolarHBondContact O-N 3.3Å; T117-K121 WeakPolarHBondContact O-CD 3.49Å
118	Y	94.9	Very high	93.2	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	27%	0.27	C	S	.	.	I	π-helix	trans	-121.4	-16.3	-167.5	-66.2	-79.5	0	0	0	114.9	D110 I114 S124 C125 F126 A140 L142	D110-Y118 HydrophobicContact CB-CE2 3.9Å; D110-Y118 PolarHBondContact OD2-OH 2.92Å; I114-Y118 HydrophobicContact CG2-CD2 4.09Å; I114-Y118 WeakPolarHBondContact O-CB 3.3Å; I114-Y118 PolarHBondContact O-N 3.46Å; Y118-S124 VanDerWaalsContact C-OG 3.31Å; Y118-S124 CarbonylContact O-C 3.58Å; Y118-S124 PolarHBondContact O-OG 3.32Å; Y118-C125 WeakPolarHBondContact O-CA 3.48Å; Y118-C125 PolarHBondContact O-N 3.13Å; Y118-C125 VanDerWaalsContact O-N 3.14Å; Y118-F126 HydrophobicContact CD1-CD2 4.49Å; Y118-F126 AromaticContact CD2-CD2 3.76Å; Y118-F126 HydrophobicContact CD2-CD2 3.76Å; Y118-F126 HydrophobicContact CD2-CE2 4.43Å; Y118-F126 HydrophobicContact CE2-CD2 4.12Å; Y118-F126 HydrophobicContact CE2-CE2 4.39Å; Y118-F126 HydrophobicContact CG-CB 4.38Å; Y118-F126 AromaticContact CG-CD2 3.96Å; Y118-F126 HydrophobicContact CG-CD2 3.96Å; Y118-A140 HydrophobicContact CD1-CB 3.73Å; Y118-A140 HydrophobicContact CE1-CB 3.49Å; Y118-A140 VanDerWaalsContact CE1-CB 3.49Å; Y118-A140 HydrophobicContact CG-CB 4.35Å; Y118-L142 HydrophobicContact CD1-CD2 4.28Å; Y118-L142 HydrophobicContact CE1-CD2 3.48Å; Y118-L142 VanDerWaalsContact CE1-CD2 3.48Å
119	L	92.8	Very high	93.6	Very high	65 Å²	65	47.5 Å²	47.5	34%	0.34	24%	0.239	S	C	.	.	I	π-helix	trans	-107.3	-31.9	-178.7	-59.9	-175.5	0	0	0	113.1	Y26 S115 F126	Y26-L119 HydrophobicContact CD1-CD1 3.92Å; S115-L119 WeakPolarHBondContact O-CA 3.22Å; S115-L119 WeakPolarHBondContact O-CB 3.31Å; S115-L119 PolarHBondContact O-N 3.48Å; L119-F126 HydrophobicContact CD2-CB 4.44Å
120	R	89.3	Confident	93.8	Very high	177 Å²	177	44.6 Å²	44.6	67%	0.668	22%	0.222	S	C	*	.	S	Bend	trans	-86.3	-26.1	179.2	-69.3	-168.8	-177.4	178.1	12.8	114.2	S115 E116	S115-R120 PolarHBondContact O-N 3.46Å; E116-R120 IonicContact OE1-CZ 3.97Å; E116-R120 IonicContact OE1-NE 3.56Å; E116-R120 PolarHBondContact OE1-NE 3.41Å; E116-R120 IonicContact OE1-NH1 3.8Å; E116-R120 PolarHBondContact OE1-NH1 3.41Å; E116-R120 IonicContact OE1-NH2 3.52Å; E116-R120 PolarHBondContact OE1-NH2 3.17Å; E116-R120 VanDerWaalsContact OE2-CD 3.3Å; E116-R120 WeakPolarHBondContact OE2-CD 3.32Å; E116-R120 IonicContact OE2-CZ 3.97Å; E116-R120 IonicContact OE2-NE 3.09Å; E116-R120 IonicContact OE2-NH1 2.68Å
121	K	87.6	Confident	94.1	Very high	129 Å²	129	43.8 Å²	43.8	56%	0.561	22%	0.218	S	C	*	.	S	Bend	trans	-76.7	137.6	178.2	-67.2	-175.1	-173.2	174	0	110.8	T117 S124	T117-K121 WeakPolarHBondContact O-CD 3.49Å; K121-S124 WeakPolarHBondContact CB-OG 3.38Å; K121-S124 PolarHBondContact O-N 3.29Å; K121-S124 PolarHBondContact O-OG 2.77Å
122	N	88.9	Confident	93.9	Very high	142 Å²	142	48.9 Å²	48.9	76%	0.759	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	145.4	172.9	-72.6	-16.7	0	0	0	110.7	S124	N122-S124 PolarHBondContact O-N 2.86Å
123	N	94.2	Very high	93.8	Very high	50 Å²	50	48.4 Å²	48.4	27%	0.267	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	28.5	177.2	-52.9	-31.6	0	0	0	113.9	P143 L151 F184	N123-P143 HydrophobicContact CB-CG 3.95Å; N123-P143 WeakPolarHBondContact O-CD 3.45Å; N123-L151 HydrophobicContact CB-CD2 4.36Å; N123-L151 WeakPolarHBondContact O-CD2 3.43Å; N123-F184 HydrophobicContact CB-CE2 3.67Å; N123-F184 HydrophobicContact CB-CZ 3.76Å
124	S	96.6	Very high	93.8	Very high	8 Å²	8	54.1 Å²	54.1	6%	0.056	27%	0.268	C	S	.	.			trans	-127.2	154.9	171.3	69.2	0	0	0	0	110.8	Y118 K121 N122 C141	Y118-S124 VanDerWaalsContact C-OG 3.31Å; Y118-S124 CarbonylContact O-C 3.58Å; Y118-S124 PolarHBondContact O-OG 3.32Å; K121-S124 WeakPolarHBondContact CB-OG 3.38Å; K121-S124 PolarHBondContact O-N 3.29Å; K121-S124 PolarHBondContact O-OG 2.77Å; N122-S124 PolarHBondContact O-N 2.86Å; S124-C141 CarbonylContact C-O 3.59Å; S124-C141 WeakPolarHBondContact CA-O 3.32Å; S124-C141 VanDerWaalsContact CB-O 3.28Å; S124-C141 WeakPolarHBondContact CB-O 3.48Å
125	C	97.7	Very high	94	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.02	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	160.7	172	-152.5	0	0	0	0	111.1	Y118 W127 A140 C141 F178	Y118-C125 WeakPolarHBondContact O-CA 3.48Å; Y118-C125 PolarHBondContact O-N 3.13Å; Y118-C125 VanDerWaalsContact O-N 3.14Å; C125-W127 HydrophobicContact CB-CD2 4.31Å; C125-W127 HydrophobicContact CB-CE3 4.12Å; C125-W127 HydrophobicContact CB-CH2 3.37Å; C125-W127 HydrophobicContact CB-CZ2 3.53Å; C125-W127 HydrophobicContact CB-CZ3 3.66Å; C125-A140 CarbonylContact O-C 3.59Å; C125-A140 VanDerWaalsContact O-CA 3.32Å; C125-A140 WeakPolarHBondContact O-CA 3.43Å; C125-C141 PolarHBondContact N-O 2.91Å; C125-C141 PolarHBondContact O-N 3.36Å; C125-F178 HydrophobicContact CB-CE1 4.37Å; C125-F178 HydrophobicContact CB-CE2 4.12Å; C125-F178 HydrophobicContact CB-CZ 4Å
126	F	98.4	Very high	94.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.3	171.7	-158.1	-64.7	0	0	0	108.7	K25 Y26 V34 L111 I114 Y118 L119 V128 T138 A140 R155	K25-F126 WeakPolarHBondContact CA-O 3.37Å; Y26-F126 HydrophobicContact CD2-CD1 4.29Å; Y26-F126 HydrophobicContact CG-CD1 4.28Å; Y26-F126 PolarHBondContact N-O 2.92Å; V34-F126 HydrophobicContact CG1-CE1 4.02Å; V34-F126 HydrophobicContact CG1-CE2 4.42Å; V34-F126 HydrophobicContact CG1-CZ 3.52Å; V34-F126 HydrophobicContact CG2-CE1 4.24Å; L111-F126 HydrophobicContact CD2-CE2 3.94Å; L111-F126 HydrophobicContact CD2-CZ 4.46Å; I114-F126 HydrophobicContact CG2-CB 4.04Å; I114-F126 HydrophobicContact CG2-CD1 4.48Å; I114-F126 HydrophobicContact CG2-CD2 3.54Å; I114-F126 HydrophobicContact CG2-CE2 4.09Å; I114-F126 HydrophobicContact CG2-CG 3.78Å; Y118-F126 HydrophobicContact CD1-CD2 4.49Å; Y118-F126 AromaticContact CD2-CD2 3.76Å; Y118-F126 HydrophobicContact CD2-CD2 3.76Å; Y118-F126 HydrophobicContact CD2-CE2 4.43Å; Y118-F126 HydrophobicContact CE2-CD2 4.12Å; Y118-F126 HydrophobicContact CE2-CE2 4.39Å; Y118-F126 HydrophobicContact CG-CB 4.38Å; Y118-F126 AromaticContact CG-CD2 3.96Å; Y118-F126 HydrophobicContact CG-CD2 3.96Å; L119-F126 HydrophobicContact CD2-CB 4.44Å; F126-V128 HydrophobicContact CE1-CG1 4.38Å; F126-T138 HydrophobicContact CE1-CG2 4.09Å; F126-T138 HydrophobicContact CZ-CG2 4.47Å; F126-A140 HydrophobicContact CB-CB 4.45Å; F126-A140 HydrophobicContact CD2-CB 3.39Å; F126-A140 HydrophobicContact CE2-CB 3.72Å; F126-A140 HydrophobicContact CG-CB 4Å; F126-R155 HydrophobicContact CE2-CB 4.1Å; F126-R155 HydrophobicContact CE2-CG 4.23Å; F126-R155 HydrophobicContact CZ-CB 4.22Å
127	W	98.6	Very high	94.5	Very high	20 Å²	20	50 Å²	50	8%	0.076	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.9	177.2	-59.9	-94.3	0	0	0	111.5	I23 R24 C125 T138 V139 C141 T174 V175 F178	I23-W127 HydrophobicContact CG2-CB 4.02Å; I23-W127 HydrophobicContact CG2-CG 4.32Å; R24-W127 CarbonylContact O-C 3.56Å; R24-W127 VanDerWaalsContact O-CA 3.28Å; R24-W127 WeakPolarHBondContact O-CA 3.21Å; R24-W127 WeakPolarHBondContact O-CB 3.49Å; C125-W127 HydrophobicContact CB-CD2 4.31Å; C125-W127 HydrophobicContact CB-CE3 4.12Å; C125-W127 HydrophobicContact CB-CH2 3.37Å; C125-W127 HydrophobicContact CB-CZ2 3.53Å; C125-W127 HydrophobicContact CB-CZ3 3.66Å; W127-T138 WeakPolarHBondContact O-CA 3.29Å; W127-V139 HydrophobicContact CB-CG1 4.17Å; W127-V139 HydrophobicContact CE3-CG1 3.91Å; W127-V139 PolarHBondContact N-O 2.55Å; W127-V139 PolarHBondContact O-N 3.35Å; W127-C141 VanDerWaalsContact CZ3-SG 3.58Å; W127-T174 HydrophobicContact CD2-CG2 3.74Å; W127-T174 HydrophobicContact CE3-CG2 4.39Å; W127-T174 HydrophobicContact CG-CG2 3.91Å; W127-T174 HydrophobicContact CZ2-CG2 3.94Å; W127-V175 HydrophobicContact CE3-CG2 4.32Å; W127-V175 HydrophobicContact CZ3-CG2 3.86Å; W127-F178 HydrophobicContact CH2-CB 3.58Å; W127-F178 AromaticContact CH2-CD1 3.86Å; W127-F178 HydrophobicContact CH2-CD1 3.86Å; W127-F178 AromaticContact CH2-CD2 3.96Å; W127-F178 HydrophobicContact CH2-CD2 3.96Å; W127-F178 AromaticContact CH2-CG 3.53Å; W127-F178 HydrophobicContact CH2-CG 3.53Å; W127-F178 HydrophobicContact CZ2-CB 3.79Å; W127-F178 AromaticContact CZ2-CD2 3.79Å; W127-F178 HydrophobicContact CZ2-CD2 3.79Å; W127-F178 HydrophobicContact CZ2-CE2 4.47Å; W127-F178 AromaticContact CZ2-CG 3.8Å; W127-F178 HydrophobicContact CZ2-CG 3.8Å
128	V	98.5	Very high	94.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.1	170.3	-58.9	0	0	0	0	109	I23 R24 Y26 D30 V34 F126 V135 G137 T138	I23-V128 WeakPolarHBondContact CA-O 3.48Å; R24-V128 HydrophobicContact CG-CG2 3.74Å; R24-V128 PolarHBondContact N-O 3.08Å; R24-V128 VanDerWaalsContact NH1-CG2 3.27Å; R24-V128 PolarHBondContact O-N 3.3Å; Y26-V128 HydrophobicContact CD2-CG1 4.35Å; D30-V128 HydrophobicContact CB-CG1 4.44Å; V34-V128 HydrophobicContact CG2-CG1 4.09Å; F126-V128 HydrophobicContact CE1-CG1 4.38Å; V128-V135 HydrophobicContact CB-CG1 3.91Å; V128-V135 HydrophobicContact CB-CG2 3.98Å; V128-V135 HydrophobicContact CG1-CG1 4.12Å; V128-V135 HydrophobicContact CG1-CG2 4.35Å; V128-V135 HydrophobicContact CG2-CG2 4.02Å; V128-G137 CarbonylContact C-O 3.57Å; V128-G137 WeakPolarHBondContact CA-O 3.16Å; V128-T138 HydrophobicContact CG1-CG2 4.34Å
129	A	98.3	Very high	95	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	116.9	166.6	0	0	0	0	0	108	L21 I23 V136 G137 I167 L171	L21-A129 HydrophobicContact CD1-CB 4.11Å; I23-A129 HydrophobicContact CG1-CB 4.39Å; A129-V136 WeakPolarHBondContact O-CG2 3.48Å; A129-V136 PolarHBondContact O-N 3.09Å; A129-G137 PolarHBondContact N-O 3.49Å; A129-G137 PolarHBondContact O-N 3.26Å; A129-I167 HydrophobicContact CB-CG2 3.54Å; A129-L171 HydrophobicContact CB-CD1 4.18Å; A129-L171 HydrophobicContact CB-CD2 4.14Å; A129-L171 HydrophobicContact CB-CG 4.33Å
130	E	97	Very high	95.2	Very high	51 Å²	51	45.6 Å²	45.6	24%	0.238	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	138.4	177.9	-167	-180	120	0	0	110.3	L21 V22 R24 G133 R134	L21-E130 WeakPolarHBondContact CA-O 3.38Å; V22-E130 PolarHBondContact N-O 3.04Å; V22-E130 PolarHBondContact O-N 2.93Å; R24-E130 IonicContact CZ-OE2 2.67Å; R24-E130 VanDerWaalsContact CZ-OE2 3.23Å; R24-E130 IonicContact NE-OE2 3.76Å; R24-E130 PolarHBondContact NE-OE2 2.97Å; R24-E130 IonicContact NH2-OE2 2.73Å; R24-E130 PolarHBondContact NH2-OE2 2.67Å; E130-G133 WeakPolarHBondContact OE1-CA 3.45Å; E130-R134 CarbonylContact C-O 3.55Å; E130-R134 WeakPolarHBondContact CA-O 3.35Å
131	S	94.7	Very high	95.6	Very high	5 Å²	5	37.2 Å²	37.2	4%	0.035	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	123.2	177.8	-170.5	0	0	0	0	107.8	C19 G133 R134	C19-S131 PolarHBondContact SG-OG 2.73Å; S131-G133 VanDerWaalsContact C-N 3.27Å; S131-G133 PolarHBondContact O-N 3.03Å; S131-R134 PolarHBondContact N-O 2.82Å; S131-R134 PolarHBondContact O-N 2.95Å
132	D	90.1	Very high	96.1	Very high	109 Å²	109	32.4 Å²	32.4	58%	0.583	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	44.6	-178.9	-50.9	-44.7	0	0	0	112.9	C19 R134	C19-D132 PolarHBondContact SG-OD2 3.36Å; D132-R134 VanDerWaalsContact C-N 3.26Å; D132-R134 PolarHBondContact O-N 3.1Å
133	G	89.1	Confident	96.4	Very high	60 Å²	60	28 Å²	28	62%	0.619	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	74	9.8	179.6	0	0	0	0	0	114.9	E130 S131	E130-G133 WeakPolarHBondContact OE1-CA 3.45Å; S131-G133 VanDerWaalsContact C-N 3.27Å; S131-G133 PolarHBondContact O-N 3.03Å
134	R	93.1	Very high	96.5	Very high	191 Å²	191	26 Å²	26	72%	0.721	14%	0.141	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.7	-178.4	-61	-176	-175.3	-164.7	0.7	111.5	E130 S131 D132 V136	E130-R134 CarbonylContact C-O 3.55Å; E130-R134 WeakPolarHBondContact CA-O 3.35Å; S131-R134 PolarHBondContact N-O 2.82Å; S131-R134 PolarHBondContact O-N 2.95Å; D132-R134 VanDerWaalsContact C-N 3.26Å; D132-R134 PolarHBondContact O-N 3.1Å; R134-V136 PolarHBondContact O-N 2.88Å
135	V	97.5	Very high	96.1	Very high	10 Å²	10	33.6 Å²	33.6	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	121.7	170.8	174.3	0	0	0	0	109.7	D30 T33 V128 T138	D30-V135 HydrophobicContact CB-CG2 4.35Å; D30-V135 WeakPolarHBondContact OD1-CG2 3.4Å; T33-V135 HydrophobicContact CG2-CB 3.84Å; T33-V135 HydrophobicContact CG2-CG1 4.26Å; V128-V135 HydrophobicContact CB-CG1 3.91Å; V128-V135 HydrophobicContact CB-CG2 3.98Å; V128-V135 HydrophobicContact CG1-CG1 4.12Å; V128-V135 HydrophobicContact CG1-CG2 4.35Å; V128-V135 HydrophobicContact CG2-CG2 4.02Å; V135-T138 HydrophobicContact CG1-CG2 4.27Å
136	V	97.5	Very high	95.6	Very high	2 Å²	2	38 Å²	38	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-5	-178	-64	0	0	0	0	113	A129 R134 V158 R159 H162 I167	A129-V136 WeakPolarHBondContact O-CG2 3.48Å; A129-V136 PolarHBondContact O-N 3.09Å; R134-V136 PolarHBondContact O-N 2.88Å; V136-V158 CarbonylContact O-C 3.56Å; V136-V158 WeakPolarHBondContact O-CA 3.33Å; V136-R159 HydrophobicContact CB-CB 4.35Å; V136-R159 WeakPolarHBondContact O-CB 3.4Å; V136-R159 PolarHBondContact O-N 3.25Å; V136-H162 HydrophobicContact CB-CB 4.18Å; V136-H162 HydrophobicContact CG2-CB 4.47Å; V136-I167 HydrophobicContact CG2-CD1 3.85Å
137	G	97.9	Very high	95.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	162.6	171.8	0	0	0	0	0	112.6	V128 A129 S157	V128-G137 CarbonylContact C-O 3.57Å; V128-G137 WeakPolarHBondContact CA-O 3.16Å; A129-G137 PolarHBondContact N-O 3.49Å; A129-G137 PolarHBondContact O-N 3.26Å; G137-S157 CarbonylContact C-O 3.55Å; G137-S157 WeakPolarHBondContact CA-O 3.35Å
138	T	98.5	Very high	94.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.7	-175.5	59.4	0	0	0	0	110.3	V34 L37 F126 W127 V128 V135 R155 M156 S157	V34-T138 HydrophobicContact CB-CG2 4.35Å; V34-T138 HydrophobicContact CG1-CG2 4.17Å; V34-T138 HydrophobicContact CG2-CG2 3.82Å; L37-T138 HydrophobicContact CD2-CG2 4.12Å; F126-T138 HydrophobicContact CE1-CG2 4.09Å; F126-T138 HydrophobicContact CZ-CG2 4.47Å; W127-T138 WeakPolarHBondContact O-CA 3.29Å; V128-T138 HydrophobicContact CG1-CG2 4.34Å; V135-T138 HydrophobicContact CG1-CG2 4.27Å; T138-R155 CarbonylContact C-O 3.58Å; T138-R155 VanDerWaalsContact O-O 3.1Å; T138-R155 PolarHBondContact OG1-O 2.91Å; T138-M156 VanDerWaalsContact O-CA 3.32Å; T138-M156 WeakPolarHBondContact O-CA 3.47Å; T138-S157 PolarHBondContact N-O 3.46Å; T138-S157 PolarHBondContact O-N 3.49Å; T138-S157 VanDerWaalsContact O-N 3.13Å
139	V	98.5	Very high	94.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	147.6	164.3	73	0	0	0	0	109.3	W127 L153 M156 L171 V175	W127-V139 HydrophobicContact CB-CG1 4.17Å; W127-V139 HydrophobicContact CE3-CG1 3.91Å; W127-V139 PolarHBondContact N-O 2.55Å; W127-V139 PolarHBondContact O-N 3.35Å; V139-L153 HydrophobicContact CG2-CD1 4.05Å; V139-L153 HydrophobicContact CG2-CD2 3.98Å; V139-L153 HydrophobicContact CG2-CG 3.72Å; V139-M156 HydrophobicContact CB-CE 3.96Å; V139-M156 HydrophobicContact CB-SD 4.39Å; V139-M156 HydrophobicContact CG2-CB 4.49Å; V139-M156 HydrophobicContact CG2-CE 3.54Å; V139-M156 HydrophobicContact CG2-SD 4.43Å; V139-L171 HydrophobicContact CB-CB 4.11Å; V139-L171 HydrophobicContact CB-CD2 4.31Å; V139-L171 HydrophobicContact CG1-CB 3.88Å; V139-L171 HydrophobicContact CG1-CD2 3.7Å; V139-L171 HydrophobicContact CG1-CG 4.31Å; V139-V175 HydrophobicContact CB-CG2 4.37Å; V139-V175 HydrophobicContact CG1-CG2 3.77Å; V139-V175 HydrophobicContact CG2-CG2 3.61Å
140	A	98.1	Very high	94.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.6	174.2	0	0	0	0	0	110.4	Y118 C125 F126 L153 K154 R155	Y118-A140 HydrophobicContact CD1-CB 3.73Å; Y118-A140 HydrophobicContact CE1-CB 3.49Å; Y118-A140 VanDerWaalsContact CE1-CB 3.49Å; Y118-A140 HydrophobicContact CG-CB 4.35Å; C125-A140 CarbonylContact O-C 3.59Å; C125-A140 VanDerWaalsContact O-CA 3.32Å; C125-A140 WeakPolarHBondContact O-CA 3.43Å; F126-A140 HydrophobicContact CB-CB 4.45Å; F126-A140 HydrophobicContact CD2-CB 3.39Å; F126-A140 HydrophobicContact CE2-CB 3.72Å; F126-A140 HydrophobicContact CG-CB 4Å; A140-L153 WeakPolarHBondContact O-CA 3.4Å; A140-K154 HydrophobicContact CB-CB 4.49Å; A140-K154 PolarHBondContact N-O 2.86Å; A140-K154 PolarHBondContact O-N 3.36Å; A140-K154 VanDerWaalsContact O-O 3.12Å; A140-R155 HydrophobicContact CB-CB 4.21Å; A140-R155 HydrophobicContact CB-CG 4.35Å
141	C	97.7	Very high	94.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.2	166.2	68.5	0	0	0	0	112	S124 C125 W127 E152 V175 F178	S124-C141 CarbonylContact C-O 3.59Å; S124-C141 WeakPolarHBondContact CA-O 3.32Å; S124-C141 VanDerWaalsContact CB-O 3.28Å; S124-C141 WeakPolarHBondContact CB-O 3.48Å; C125-C141 PolarHBondContact N-O 2.91Å; C125-C141 PolarHBondContact O-N 3.36Å; W127-C141 VanDerWaalsContact CZ3-SG 3.58Å; C141-E152 WeakPolarHBondContact CA-O 3.24Å; C141-V175 HydrophobicContact CB-CG1 3.86Å; C141-F178 VanDerWaalsContact SG-CD1 3.56Å
142	L	96.8	Very high	94.5	Very high	28 Å²	28	45.8 Å²	45.8	15%	0.147	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	164.7	173	68.8	115.8	0	0	0	110.1	Y118 A144 L151 E152 K154	Y118-L142 HydrophobicContact CD1-CD2 4.28Å; Y118-L142 HydrophobicContact CE1-CD2 3.48Å; Y118-L142 VanDerWaalsContact CE1-CD2 3.48Å; L142-A144 PolarHBondContact O-N 3.35Å; L142-L151 CarbonylContact O-C 3.56Å; L142-E152 PolarHBondContact N-O 3.21Å; L142-E152 PolarHBondContact O-N 3.14Å; L142-K154 HydrophobicContact CD2-CD 3.68Å
143	P	96.6	Very high	94.8	Very high	51 Å²	51	40.9 Å²	40.9	33%	0.331	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	132.7	177	-25.6	37.1	0	0	0	112.1	N123 E145 L151	N123-P143 HydrophobicContact CB-CG 3.95Å; N123-P143 WeakPolarHBondContact O-CD 3.45Å; P143-E145 PolarHBondContact O-N 3.49Å; P143-L151 HydrophobicContact CB-CD2 4.34Å; P143-L151 HydrophobicContact CG-CD2 4.13Å
144	A	94.6	Very high	95.2	Very high	8 Å²	8	40.6 Å²	40.6	7%	0.066	22%	0.218	C	C	.	.			trans	-66.7	123.3	-179.2	0	0	0	0	0	111.4	L142 T146 A147 F150 E152 I188	L142-A144 PolarHBondContact O-N 3.35Å; A144-T146 VanDerWaalsContact C-N 3.27Å; A144-T146 PolarHBondContact O-N 3.35Å; A144-A147 HydrophobicContact CB-CB 4.19Å; A144-F150 HydrophobicContact CB-CB 4.33Å; A144-F150 WeakPolarHBondContact CB-O 3.46Å; A144-F150 PolarHBondContact N-O 3.24Å; A144-E152 HydrophobicContact CB-CB 4.25Å; A144-I188 HydrophobicContact CB-CD1 3.48Å; A144-I188 VanDerWaalsContact CB-CD1 3.48Å; A144-I188 HydrophobicContact CB-CG1 3.98Å
145	E	89.4	Confident	95.3	Very high	166 Å²	166	33 Å²	33	78%	0.776	19%	0.19	S	C	*	.	S	Bend	trans	-65.5	-32.5	178.7	-66.7	-179.6	-178.7	0	0	112.5	P143	P143-E145 PolarHBondContact O-N 3.49Å
146	T	86.1	Confident	95.3	Very high	96 Å²	96	34.3 Å²	34.3	59%	0.589	20%	0.195	S	C	*	.	S	Bend	trans	-98.2	-7.4	-173.6	51.1	0	0	0	0	113.9	A144 Y190	A144-T146 VanDerWaalsContact C-N 3.27Å; A144-T146 PolarHBondContact O-N 3.35Å; T146-Y190 PolarHBondContact OG1-OH 3.32Å
147	A	89.8	Confident	95.2	Very high	17 Å²	17	34.9 Å²	34.9	14%	0.14	20%	0.2	C	C	.	.	S	Bend	trans	-144.8	83.8	-177	0	0	0	0	0	110.5	A144 G149 F150 I188	A144-A147 HydrophobicContact CB-CB 4.19Å; A147-G149 PolarHBondContact O-N 3.12Å; A147-F150 HydrophobicContact CB-CD2 3.47Å; A147-F150 VanDerWaalsContact CB-CD2 3.47Å; A147-F150 HydrophobicContact CB-CE2 4Å; A147-F150 HydrophobicContact CB-CG 4.33Å; A147-F150 PolarHBondContact O-N 2.82Å; A147-I188 HydrophobicContact CB-CD1 4.22Å
148	P	89.7	Confident	95.2	Very high	119 Å²	119	35.4 Å²	35.4	77%	0.773	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	136.5	177.2	-25.2	34.3	0	0	0	111.5
149	G	91.7	Very high	95	Very high	40 Å²	40	40.2 Å²	40.2	41%	0.412	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	92	-2.8	-177.8	0	0	0	0	0	115.1	A147 F184 S185	A147-G149 PolarHBondContact O-N 3.12Å; G149-F184 VanDerWaalsContact C-CD1 3.44Å; G149-F184 VanDerWaalsContact O-CD1 3.26Å; G149-F184 WeakPolarHBondContact O-CD1 3.31Å; G149-S185 PolarHBondContact O-N 3.09Å
150	F	96.2	Very high	94.7	Very high	45 Å²	45	49.2 Å²	49.2	20%	0.197	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	154.4	173	-52.6	-26.3	0	0	0	112.5	A144 A147 F184 S185 A186 I188	A144-F150 HydrophobicContact CB-CB 4.33Å; A144-F150 WeakPolarHBondContact CB-O 3.46Å; A144-F150 PolarHBondContact N-O 3.24Å; A147-F150 HydrophobicContact CB-CD2 3.47Å; A147-F150 VanDerWaalsContact CB-CD2 3.47Å; A147-F150 HydrophobicContact CB-CE2 4Å; A147-F150 HydrophobicContact CB-CG 4.33Å; A147-F150 PolarHBondContact O-N 2.82Å; F150-F184 VanDerWaalsContact C-CD1 3.49Å; F150-S185 VanDerWaalsContact CE1-OG 3.3Å; F150-S185 WeakPolarHBondContact CE1-OG 3.37Å; F150-A186 WeakPolarHBondContact CA-O 3.4Å; F150-A186 HydrophobicContact CD1-CB 3.59Å; F150-A186 HydrophobicContact CE1-CB 3.84Å; F150-A186 HydrophobicContact CG-CB 4.02Å; F150-A186 HydrophobicContact CZ-CB 4.45Å; F150-I188 HydrophobicContact CB-CG2 4.25Å; F150-I188 HydrophobicContact CD2-CG2 3.73Å; F150-I188 HydrophobicContact CG-CG2 4.31Å
151	L	97.4	Very high	94.5	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	139.9	165.7	-64.9	-167.7	0	0	0	110.3	N123 L142 P143 F178 T179 F184 A186 V187 I188	N123-L151 HydrophobicContact CB-CD2 4.36Å; N123-L151 WeakPolarHBondContact O-CD2 3.43Å; L142-L151 CarbonylContact O-C 3.56Å; P143-L151 HydrophobicContact CB-CD2 4.34Å; P143-L151 HydrophobicContact CG-CD2 4.13Å; L151-F178 HydrophobicContact CD1-CD1 3.75Å; L151-F178 HydrophobicContact CD1-CE1 3.85Å; L151-T179 HydrophobicContact CB-CG2 4.2Å; L151-T179 HydrophobicContact CD1-CG2 4.21Å; L151-T179 HydrophobicContact CG-CG2 4.1Å; L151-F184 HydrophobicContact CD1-CD2 4.39Å; L151-F184 HydrophobicContact CD1-CG 4.49Å; L151-F184 HydrophobicContact CD2-CD1 3.62Å; L151-F184 HydrophobicContact CD2-CD2 4.01Å; L151-F184 HydrophobicContact CD2-CE1 3.49Å; L151-F184 VanDerWaalsContact CD2-CE1 3.49Å; L151-F184 HydrophobicContact CD2-CE2 3.89Å; L151-F184 HydrophobicContact CD2-CG 3.9Å; L151-F184 HydrophobicContact CD2-CZ 3.63Å; L151-F184 HydrophobicContact CG-CB 4.14Å; L151-F184 HydrophobicContact CG-CD1 3.81Å; L151-F184 HydrophobicContact CG-CD2 4.04Å; L151-F184 HydrophobicContact CG-CE1 4.22Å; L151-F184 HydrophobicContact CG-CE2 4.42Å; L151-F184 HydrophobicContact CG-CG 3.74Å; L151-A186 PolarHBondContact N-O 3.44Å; L151-A186 VanDerWaalsContact N-O 3.08Å; L151-V187 CarbonylContact O-C 3.54Å; L151-V187 VanDerWaalsContact O-CA 3.31Å; L151-V187 WeakPolarHBondContact O-CA 3.46Å; L151-I188 PolarHBondContact O-N 3.31Å
152	E	97.6	Very high	94.3	Very high	18 Å²	18	54.5 Å²	54.5	8%	0.084	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.6	173.2	-170.9	-171.2	165.4	0	0	110.1	C141 L142 A144 K154 I188 Y190	C141-E152 WeakPolarHBondContact CA-O 3.24Å; L142-E152 PolarHBondContact N-O 3.21Å; L142-E152 PolarHBondContact O-N 3.14Å; A144-E152 HydrophobicContact CB-CB 4.25Å; E152-K154 VanDerWaalsContact CD-CE 3.49Å; E152-K154 HydrophobicContact CG-CG 4.16Å; E152-K154 WeakPolarHBondContact OE1-CE 3.46Å; E152-K154 IonicContact OE1-NZ 2.55Å; E152-K154 PolarHBondContact OE1-NZ 3.23Å; E152-K154 VanDerWaalsContact OE1-NZ 3.07Å; E152-K154 IonicContact OE2-NZ 3.65Å; E152-K154 PolarHBondContact OE2-NZ 3.45Å; E152-I188 CarbonylContact C-O 3.52Å; E152-I188 VanDerWaalsContact CA-O 3.3Å; E152-I188 WeakPolarHBondContact CA-O 3.49Å; E152-I188 HydrophobicContact CB-CG1 4.08Å; E152-I188 HydrophobicContact CG-CG1 4.23Å; E152-Y190 HydrophobicContact CG-CD2 4.5Å; E152-Y190 HydrophobicContact CG-CE2 4.44Å; E152-Y190 WeakPolarHBondContact OE1-CD2 3.29Å
153	L	98	Very high	94.1	Very high	6 Å²	6	57.7 Å²	57.7	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.1	170.6	-179.1	162.3	0	0	0	109.7	V139 A140 M156 V175 V187 I188 L189	V139-L153 HydrophobicContact CG2-CD1 4.05Å; V139-L153 HydrophobicContact CG2-CD2 3.98Å; V139-L153 HydrophobicContact CG2-CG 3.72Å; A140-L153 WeakPolarHBondContact O-CA 3.4Å; L153-M156 HydrophobicContact CD1-CE 4.24Å; L153-M156 HydrophobicContact CD2-CB 3.9Å; L153-M156 HydrophobicContact CD2-CE 4.37Å; L153-V175 HydrophobicContact CB-CG1 4.23Å; L153-V175 HydrophobicContact CD1-CB 4.15Å; L153-V175 HydrophobicContact CD1-CG1 4.16Å; L153-V175 HydrophobicContact CD1-CG2 4.09Å; L153-V175 HydrophobicContact CG-CG1 4.39Å; L153-V175 HydrophobicContact CG-CG2 4.34Å; L153-V187 HydrophobicContact CB-CG1 3.81Å; L153-I188 PolarHBondContact N-O 3.06Å; L153-L189 HydrophobicContact CB-CB 4.19Å; L153-L189 HydrophobicContact CD1-CD2 4.49Å; L153-L189 HydrophobicContact CD2-CB 4.48Å; L153-L189 HydrophobicContact CD2-CD2 4.39Å
154	K	96.2	Very high	93.9	Very high	55 Å²	55	59.4 Å²	59.4	24%	0.239	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	166.8	-178.8	-79.6	-177.8	150	129.8	0	111.6	A140 L142 E152 M156	A140-K154 HydrophobicContact CB-CB 4.49Å; A140-K154 PolarHBondContact N-O 2.86Å; A140-K154 PolarHBondContact O-N 3.36Å; A140-K154 VanDerWaalsContact O-O 3.12Å; L142-K154 HydrophobicContact CD2-CD 3.68Å; E152-K154 VanDerWaalsContact CD-CE 3.49Å; E152-K154 HydrophobicContact CG-CG 4.16Å; E152-K154 WeakPolarHBondContact OE1-CE 3.46Å; E152-K154 IonicContact OE1-NZ 2.55Å; E152-K154 PolarHBondContact OE1-NZ 3.23Å; E152-K154 VanDerWaalsContact OE1-NZ 3.07Å; E152-K154 IonicContact OE2-NZ 3.65Å; E152-K154 PolarHBondContact OE2-NZ 3.45Å; K154-M156 PolarHBondContact O-N 3.14Å
155	R	95.8	Very high	93.8	Very high	31 Å²	31	64.9 Å²	64.9	12%	0.117	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	53.5	30.5	170.2	-50.4	-56.3	173.8	-163.8	-3.9	114.8	S106 D110 L111 F126 T138 A140 S157	S106-R155 VanDerWaalsContact CB-NH1 3.31Å; S106-R155 PolarHBondContact OG-NH1 2.92Å; S106-R155 PolarHBondContact OG-NH2 2.72Å; D110-R155 IonicContact OD1-CZ 3.51Å; D110-R155 IonicContact OD1-NE 2.78Å; D110-R155 IonicContact OD1-NH2 2.66Å; D110-R155 PolarHBondContact OD1-NH2 3.3Å; D110-R155 IonicContact OD2-CZ 2.84Å; D110-R155 VanDerWaalsContact OD2-CZ 3.24Å; D110-R155 IonicContact OD2-NE 3.14Å; D110-R155 PolarHBondContact OD2-NE 3.3Å; D110-R155 IonicContact OD2-NH2 2.71Å; D110-R155 PolarHBondContact OD2-NH2 3.35Å; L111-R155 HydrophobicContact CD2-CG 4.17Å; F126-R155 HydrophobicContact CE2-CB 4.1Å; F126-R155 HydrophobicContact CE2-CG 4.23Å; F126-R155 HydrophobicContact CZ-CB 4.22Å; T138-R155 CarbonylContact C-O 3.58Å; T138-R155 VanDerWaalsContact O-O 3.1Å; T138-R155 PolarHBondContact OG1-O 2.91Å; A140-R155 HydrophobicContact CB-CB 4.21Å; A140-R155 HydrophobicContact CB-CG 4.35Å; R155-S157 PolarHBondContact O-N 3Å
156	M	97.1	Very high	94.1	Very high	37 Å²	37	58.6 Å²	58.6	18%	0.182	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	116.3	170.8	179.1	62.4	73.9	0	0	109.7	T138 V139 L153 K154 A168 L171 C172	T138-M156 VanDerWaalsContact O-CA 3.32Å; T138-M156 WeakPolarHBondContact O-CA 3.47Å; V139-M156 HydrophobicContact CB-CE 3.96Å; V139-M156 HydrophobicContact CB-SD 4.39Å; V139-M156 HydrophobicContact CG2-CB 4.49Å; V139-M156 HydrophobicContact CG2-CE 3.54Å; V139-M156 HydrophobicContact CG2-SD 4.43Å; L153-M156 HydrophobicContact CD1-CE 4.24Å; L153-M156 HydrophobicContact CD2-CB 3.9Å; L153-M156 HydrophobicContact CD2-CE 4.37Å; K154-M156 PolarHBondContact O-N 3.14Å; M156-A168 HydrophobicContact SD-CB 4.26Å; M156-L171 HydrophobicContact CE-CB 3.83Å; M156-L171 HydrophobicContact SD-CB 4.15Å; M156-L171 HydrophobicContact SD-CD1 4.09Å; M156-C172 VanDerWaalsContact CE-SG 3.52Å
157	S	96.4	Very high	94.6	Very high	15 Å²	15	54.2 Å²	54.2	11%	0.105	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	147.9	171.3	-178.1	0	0	0	0	109.8	L37 G137 T138 R155	L37-S157 WeakPolarHBondContact CD2-OG 3.24Å; L37-S157 PolarHBondContact O-OG 3.23Å; L37-S157 VanDerWaalsContact O-OG 3.09Å; G137-S157 CarbonylContact C-O 3.55Å; G137-S157 WeakPolarHBondContact CA-O 3.35Å; T138-S157 PolarHBondContact N-O 3.46Å; T138-S157 PolarHBondContact O-N 3.49Å; T138-S157 VanDerWaalsContact O-N 3.13Å; R155-S157 PolarHBondContact O-N 3Å
158	V	96.6	Very high	94.9	Very high	11 Å²	11	54.4 Å²	54.4	7%	0.067	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.6	176.3	177.9	0	0	0	0	108.3	V136 R160 H162 R163 I167 A168 L171	V136-V158 CarbonylContact O-C 3.56Å; V136-V158 WeakPolarHBondContact O-CA 3.33Å; V158-R160 PolarHBondContact O-N 2.95Å; V158-H162 HydrophobicContact CG1-CB 4.34Å; V158-R163 HydrophobicContact CB-CG 4.4Å; V158-R163 HydrophobicContact CG1-CG 4.12Å; V158-R163 PolarHBondContact O-NE 2.83Å; V158-R163 PolarHBondContact O-NH2 3.49Å; V158-I167 HydrophobicContact CG1-CB 4.21Å; V158-I167 HydrophobicContact CG1-CD1 4.3Å; V158-I167 HydrophobicContact CG1-CG2 4.27Å; V158-I167 HydrophobicContact CG2-CB 4.34Å; V158-I167 HydrophobicContact CG2-CG2 3.98Å; V158-A168 HydrophobicContact CG2-CB 3.9Å; V158-L171 HydrophobicContact CG2-CD1 4.28Å
159	R	95.4	Very high	95.3	Very high	102 Å²	102	52.2 Å²	52.2	39%	0.385	28%	0.281	S	S	.	.			trans	-53.3	131.2	177.8	-169.6	176.8	-103.4	-102.5	-4.7	109.3	E36 L37 V136 S161 H162 R163	E36-R159 IonicContact OE1-NH2 3.55Å; E36-R159 PolarHBondContact OE1-NH2 2.84Å; L37-R159 HydrophobicContact CD1-CB 4.17Å; V136-R159 HydrophobicContact CB-CB 4.35Å; V136-R159 WeakPolarHBondContact O-CB 3.4Å; V136-R159 PolarHBondContact O-N 3.25Å; R159-S161 PolarHBondContact O-N 3.3Å; R159-S161 VanDerWaalsContact O-N 3.11Å; R159-H162 PolarHBondContact O-N 3.49Å; R159-R163 PolarHBondContact O-N 3.48Å
160	R	92.5	Very high	95.6	Very high	188 Å²	188	51.5 Å²	51.5	71%	0.709	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-52.3	-39.6	-172.9	-171.5	174.9	175.8	179.4	-0.3	113.7	V158 H162 R163	V158-R160 PolarHBondContact O-N 2.95Å; R160-H162 PolarHBondContact O-N 2.96Å; R160-R163 PolarHBondContact O-N 2.88Å
161	S	92.8	Very high	95.7	Very high	80 Å²	80	49.4 Å²	49.4	56%	0.559	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-67.6	-10	178.2	54.7	0	0	0	0	115	R159	R159-S161 PolarHBondContact O-N 3.3Å; R159-S161 VanDerWaalsContact O-N 3.11Å
162	H	94.2	Very high	95.7	Very high	31 Å²	31	49.4 Å²	49.4	14%	0.144	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-117.8	6.7	-177.4	-66.8	71.4	0	0	0	113	V136 V158 R159 R160 I167	V136-H162 HydrophobicContact CB-CB 4.18Å; V136-H162 HydrophobicContact CG2-CB 4.47Å; V158-H162 HydrophobicContact CG1-CB 4.34Å; R159-H162 PolarHBondContact O-N 3.49Å; R160-H162 PolarHBondContact O-N 2.96Å; H162-I167 HydrophobicContact CB-CD1 3.7Å; H162-I167 WeakPolarHBondContact O-CD1 3.41Å
163	R	92.7	Very high	95.7	Very high	95 Å²	95	55.3 Å²	55.3	36%	0.358	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	161.1	174	-66.1	-174.1	-173.7	159.9	10.3	111.6	E44 V158 R159 R160 K165	E44-R163 VanDerWaalsContact CD-NH2 3.29Å; E44-R163 IonicContact OE1-CZ 3.07Å; E44-R163 IonicContact OE1-NH2 2.84Å; E44-R163 PolarHBondContact OE1-NH2 3.48Å; E44-R163 IonicContact OE2-CZ 3.12Å; E44-R163 IonicContact OE2-NH1 2.75Å; E44-R163 PolarHBondContact OE2-NH1 3.36Å; E44-R163 IonicContact OE2-NH2 3.23Å; E44-R163 PolarHBondContact OE2-NH2 3.11Å; V158-R163 HydrophobicContact CB-CG 4.4Å; V158-R163 HydrophobicContact CG1-CG 4.12Å; V158-R163 PolarHBondContact O-NE 2.83Å; V158-R163 PolarHBondContact O-NH2 3.49Å; R159-R163 PolarHBondContact O-N 3.48Å; R160-R163 PolarHBondContact O-N 2.88Å; R163-K165 PolarHBondContact O-N 2.94Å
164	G	90.9	Very high	95.7	Very high	88 Å²	88	56.5 Å²	56.5	91%	0.907	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-8.3	-175.5	0	0	0	0	0	114.6	G166	G164-G166 VanDerWaalsContact C-N 3.35Å; G164-G166 PolarHBondContact O-N 2.9Å
165	K	93.2	Very high	95.8	Very high	122 Å²	122	53.9 Å²	53.9	53%	0.53	28%	0.28	S	S	.	.	S	Bend	trans	-90	10.9	179.9	-57.3	-176.4	179.6	-176.6	0	114.5	R163 I167	R163-K165 PolarHBondContact O-N 2.94Å; K165-I167 VanDerWaalsContact C-N 3.3Å; K165-I167 HydrophobicContact CB-CG1 4.32Å; K165-I167 PolarHBondContact O-N 3.38Å
166	G	94.9	Very high	95.9	Very high	34 Å²	34	52.9 Å²	52.9	35%	0.351	28%	0.278	S	S	.	.	S	Bend	trans	77.6	1.4	179.7	0	0	0	0	0	116.4	G164 A168 K169 A170	G164-G166 VanDerWaalsContact C-N 3.35Å; G164-G166 PolarHBondContact O-N 2.9Å; G166-A168 PolarHBondContact O-N 2.69Å; G166-K169 WeakPolarHBondContact O-CB 3.36Å; G166-K169 PolarHBondContact O-N 3.2Å; G166-K169 VanDerWaalsContact O-N 3.09Å; G166-A170 PolarHBondContact O-N 3.26Å
167	I	97	Very high	95.9	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-55.3	-49.9	-177.6	-58.8	-179.1	0	0	0	112.4	L21 A129 V136 V158 H162 K165 K169 A170 L171	L21-I167 HydrophobicContact CD1-CD1 3.83Å; L21-I167 HydrophobicContact CD1-CG1 3.78Å; L21-I167 HydrophobicContact CD1-CG2 4.3Å; L21-I167 HydrophobicContact CD2-CG1 3.87Å; L21-I167 HydrophobicContact CG-CG1 4.5Å; A129-I167 HydrophobicContact CB-CG2 3.54Å; V136-I167 HydrophobicContact CG2-CD1 3.85Å; V158-I167 HydrophobicContact CG1-CB 4.21Å; V158-I167 HydrophobicContact CG1-CD1 4.3Å; V158-I167 HydrophobicContact CG1-CG2 4.27Å; V158-I167 HydrophobicContact CG2-CB 4.34Å; V158-I167 HydrophobicContact CG2-CG2 3.98Å; H162-I167 HydrophobicContact CB-CD1 3.7Å; H162-I167 WeakPolarHBondContact O-CD1 3.41Å; K165-I167 VanDerWaalsContact C-N 3.3Å; K165-I167 HydrophobicContact CB-CG1 4.32Å; K165-I167 PolarHBondContact O-N 3.38Å; I167-K169 VanDerWaalsContact C-N 3.26Å; I167-K169 PolarHBondContact O-N 3.06Å; I167-A170 WeakPolarHBondContact O-CB 3.44Å; I167-A170 PolarHBondContact O-N 2.9Å; I167-A170 VanDerWaalsContact O-N 3.12Å; I167-L171 HydrophobicContact CG2-CD1 3.98Å; I167-L171 HydrophobicContact CG2-CG 4.46Å; I167-L171 WeakPolarHBondContact O-CG 3.41Å; I167-L171 PolarHBondContact O-N 3.24Å
168	A	96.9	Very high	96	Very high	21 Å²	21	54.6 Å²	54.6	17%	0.174	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-33.9	-179.5	0	0	0	0	0	112.2	M156 V158 G166 L171 C172 L201	M156-A168 HydrophobicContact SD-CB 4.26Å; V158-A168 HydrophobicContact CG2-CB 3.9Å; G166-A168 PolarHBondContact O-N 2.69Å; A168-L171 PolarHBondContact O-N 3.09Å; A168-C172 PolarHBondContact O-N 3.22Å; A168-C172 PolarHBondContact O-SG 3.27Å; A168-C172 VanDerWaalsContact O-SG 3.33Å; A168-L201 HydrophobicContact CB-CD1 4.13Å; A168-L201 HydrophobicContact CB-CD2 3.46Å; A168-L201 VanDerWaalsContact CB-CD2 3.46Å; A168-L201 HydrophobicContact CB-CG 4.45Å
169	K	97.3	Very high	96	Very high	72 Å²	72	54 Å²	54	31%	0.313	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-43.4	174.3	-61.2	-174.7	-176.6	-173.7	0	110.9	G166 I167 C172 R173 L201 H204 M205	G166-K169 WeakPolarHBondContact O-CB 3.36Å; G166-K169 PolarHBondContact O-N 3.2Å; G166-K169 VanDerWaalsContact O-N 3.09Å; I167-K169 VanDerWaalsContact C-N 3.26Å; I167-K169 PolarHBondContact O-N 3.06Å; K169-C172 PolarHBondContact O-N 3.08Å; K169-R173 WeakPolarHBondContact O-CG 3.38Å; K169-R173 PolarHBondContact O-N 3.1Å; K169-L201 HydrophobicContact CG-CD1 3.59Å; K169-H204 VanDerWaalsContact CE-CD2 3.49Å; K169-H204 WeakPolarHBondContact CE-CD2 3.4Å; K169-H204 PolarHBondContact NZ-CD2 3.41Å; K169-H204 PolarHBondContact NZ-NE2 2.99Å; K169-M205 HydrophobicContact CB-SD 3.79Å; K169-M205 HydrophobicContact CD-SD 4.42Å; K169-M205 HydrophobicContact CG-SD 3.92Å
170	A	97.8	Very high	96	Very high	26 Å²	26	55 Å²	55	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-43.8	177.3	0	0	0	0	0	111.3	I23 G166 I167 C172 R173 T174	I23-A170 HydrophobicContact CD1-CB 3.56Å; G166-A170 PolarHBondContact O-N 3.26Å; I167-A170 WeakPolarHBondContact O-CB 3.44Å; I167-A170 PolarHBondContact O-N 2.9Å; I167-A170 VanDerWaalsContact O-N 3.12Å; A170-C172 PolarHBondContact O-N 3.26Å; A170-R173 WeakPolarHBondContact O-CB 3.48Å; A170-R173 PolarHBondContact O-N 3.14Å; A170-T174 PolarHBondContact O-N 3.41Å; A170-T174 PolarHBondContact O-OG1 3.06Å; A170-T174 VanDerWaalsContact O-OG1 3.07Å
171	L	98.4	Very high	96.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-43	174.2	-71.4	168.6	0	0	0	112.6	I23 A129 V139 M156 V158 I167 A168 R173 T174 V175	I23-L171 HydrophobicContact CD1-CD2 4.1Å; I23-L171 HydrophobicContact CD1-CG 4.29Å; I23-L171 HydrophobicContact CG1-CD2 4.3Å; I23-L171 HydrophobicContact CG2-CD2 4.19Å; A129-L171 HydrophobicContact CB-CD1 4.18Å; A129-L171 HydrophobicContact CB-CD2 4.14Å; A129-L171 HydrophobicContact CB-CG 4.33Å; V139-L171 HydrophobicContact CB-CB 4.11Å; V139-L171 HydrophobicContact CB-CD2 4.31Å; V139-L171 HydrophobicContact CG1-CB 3.88Å; V139-L171 HydrophobicContact CG1-CD2 3.7Å; V139-L171 HydrophobicContact CG1-CG 4.31Å; M156-L171 HydrophobicContact CE-CB 3.83Å; M156-L171 HydrophobicContact SD-CB 4.15Å; M156-L171 HydrophobicContact SD-CD1 4.09Å; V158-L171 HydrophobicContact CG2-CD1 4.28Å; I167-L171 HydrophobicContact CG2-CD1 3.98Å; I167-L171 HydrophobicContact CG2-CG 4.46Å; I167-L171 WeakPolarHBondContact O-CG 3.41Å; I167-L171 PolarHBondContact O-N 3.24Å; A168-L171 PolarHBondContact O-N 3.09Å; L171-R173 VanDerWaalsContact C-N 3.33Å; L171-R173 PolarHBondContact O-N 3.04Å; L171-T174 WeakPolarHBondContact O-CB 3.17Å; L171-T174 PolarHBondContact O-N 3.3Å; L171-V175 PolarHBondContact O-N 3.31Å; L171-V175 VanDerWaalsContact O-N 3.15Å
172	C	98.1	Very high	96.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-42.2	173.9	-73.6	0	0	0	0	112.2	M156 A168 K169 A170 V175 A176 M205	M156-C172 VanDerWaalsContact CE-SG 3.52Å; A168-C172 PolarHBondContact O-N 3.22Å; A168-C172 PolarHBondContact O-SG 3.27Å; A168-C172 VanDerWaalsContact O-SG 3.33Å; K169-C172 PolarHBondContact O-N 3.08Å; A170-C172 PolarHBondContact O-N 3.26Å; C172-V175 PolarHBondContact O-N 3.48Å; C172-A176 PolarHBondContact O-N 3.38Å; C172-M205 HydrophobicContact CB-CE 3.94Å; C172-M205 HydrophobicContact CB-CG 4.17Å
173	R	97.8	Very high	96.3	Very high	143 Å²	143	57.4 Å²	57.4	54%	0.54	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-44.7	176.9	-70.4	173.9	-175.4	158.3	-2	111.3	K169 A170 L171 V175 A176 D177 M205	K169-R173 WeakPolarHBondContact O-CG 3.38Å; K169-R173 PolarHBondContact O-N 3.1Å; A170-R173 WeakPolarHBondContact O-CB 3.48Å; A170-R173 PolarHBondContact O-N 3.14Å; L171-R173 VanDerWaalsContact C-N 3.33Å; L171-R173 PolarHBondContact O-N 3.04Å; R173-V175 PolarHBondContact O-N 3.47Å; R173-A176 PolarHBondContact O-N 2.91Å; R173-D177 WeakPolarHBondContact O-CB 3.36Å; R173-D177 VanDerWaalsContact O-CG 3.24Å; R173-D177 PolarHBondContact O-N 3.03Å; R173-M205 HydrophobicContact CG-CE 3.61Å
174	T	98.3	Very high	96.4	Very high	31 Å²	31	54.4 Å²	54.4	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-54.3	-41.6	175.3	-56.6	0	0	0	0	112.2	I23 W127 A170 L171 F178	I23-T174 HydrophobicContact CG2-CG2 4.19Å; W127-T174 HydrophobicContact CD2-CG2 3.74Å; W127-T174 HydrophobicContact CE3-CG2 4.39Å; W127-T174 HydrophobicContact CG-CG2 3.91Å; W127-T174 HydrophobicContact CZ2-CG2 3.94Å; A170-T174 PolarHBondContact O-N 3.41Å; A170-T174 PolarHBondContact O-OG1 3.06Å; A170-T174 VanDerWaalsContact O-OG1 3.07Å; L171-T174 WeakPolarHBondContact O-CB 3.17Å; L171-T174 PolarHBondContact O-N 3.3Å; T174-F178 WeakPolarHBondContact O-CB 3.29Å; T174-F178 PolarHBondContact O-N 3.19Å
175	V	98.3	Very high	96.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.3	-44.1	175.8	177	0	0	0	0	111.7	W127 V139 C141 L153 L171 C172 R173 D177 F178 T179 V187	W127-V175 HydrophobicContact CE3-CG2 4.32Å; W127-V175 HydrophobicContact CZ3-CG2 3.86Å; V139-V175 HydrophobicContact CB-CG2 4.37Å; V139-V175 HydrophobicContact CG1-CG2 3.77Å; V139-V175 HydrophobicContact CG2-CG2 3.61Å; C141-V175 HydrophobicContact CB-CG1 3.86Å; L153-V175 HydrophobicContact CB-CG1 4.23Å; L153-V175 HydrophobicContact CD1-CB 4.15Å; L153-V175 HydrophobicContact CD1-CG1 4.16Å; L153-V175 HydrophobicContact CD1-CG2 4.09Å; L153-V175 HydrophobicContact CG-CG1 4.39Å; L153-V175 HydrophobicContact CG-CG2 4.34Å; L171-V175 PolarHBondContact O-N 3.31Å; L171-V175 VanDerWaalsContact O-N 3.15Å; C172-V175 PolarHBondContact O-N 3.48Å; R173-V175 PolarHBondContact O-N 3.47Å; V175-D177 PolarHBondContact O-N 2.91Å; V175-F178 PolarHBondContact O-N 3.39Å; V175-T179 WeakPolarHBondContact O-CB 3.49Å; V175-T179 PolarHBondContact O-N 3.48Å; V175-T179 PolarHBondContact O-OG1 3.41Å; V175-V187 HydrophobicContact CG1-CG1 3.99Å; V175-V187 HydrophobicContact CG1-CG2 4.36Å
176	A	97.8	Very high	96.8	Very high	9 Å²	9	47.4 Å²	47.4	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-43	178.9	0	0	0	0	0	112	C172 R173 T179 R180 L232 L234	C172-A176 PolarHBondContact O-N 3.38Å; R173-A176 PolarHBondContact O-N 2.91Å; A176-T179 WeakPolarHBondContact O-CB 2.85Å; A176-T179 PolarHBondContact O-N 3.5Å; A176-R180 PolarHBondContact O-N 3.33Å; A176-L232 HydrophobicContact CB-CD2 4.1Å; A176-L234 HydrophobicContact CB-CD2 4.17Å; A176-L234 WeakPolarHBondContact O-CD1 3.35Å
177	D	97.4	Very high	97	Very high	76 Å²	76	45.8 Å²	45.8	41%	0.406	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-46.5	177.7	-64.1	-25	0	0	0	110.9	R173 V175 T179 R180 E181	R173-D177 WeakPolarHBondContact O-CB 3.36Å; R173-D177 VanDerWaalsContact O-CG 3.24Å; R173-D177 PolarHBondContact O-N 3.03Å; V175-D177 PolarHBondContact O-N 2.91Å; D177-T179 VanDerWaalsContact C-N 3.27Å; D177-T179 PolarHBondContact O-N 2.89Å; D177-R180 PolarHBondContact O-N 3.41Å; D177-R180 IonicContact OD1-NH1 2.69Å; D177-R180 PolarHBondContact OD1-NH1 3.45Å; D177-R180 VanDerWaalsContact OD1-NH1 3.14Å; D177-E181 WeakPolarHBondContact O-CG 3.33Å; D177-E181 PolarHBondContact O-N 3.47Å
178	F	97.3	Very high	97	Very high	12 Å²	12	45.6 Å²	45.6	5%	0.053	24%	0.235	C	C	.	.	H	α-helix	trans	-58.7	-39.6	173.3	-179.9	-97.3	0	0	0	112.4	C125 W127 C141 L151 T174 V175 E181 R182	C125-F178 HydrophobicContact CB-CE1 4.37Å; C125-F178 HydrophobicContact CB-CE2 4.12Å; C125-F178 HydrophobicContact CB-CZ 4Å; W127-F178 HydrophobicContact CH2-CB 3.58Å; W127-F178 AromaticContact CH2-CD1 3.86Å; W127-F178 HydrophobicContact CH2-CD1 3.86Å; W127-F178 AromaticContact CH2-CD2 3.96Å; W127-F178 HydrophobicContact CH2-CD2 3.96Å; W127-F178 AromaticContact CH2-CG 3.53Å; W127-F178 HydrophobicContact CH2-CG 3.53Å; W127-F178 HydrophobicContact CZ2-CB 3.79Å; W127-F178 AromaticContact CZ2-CD2 3.79Å; W127-F178 HydrophobicContact CZ2-CD2 3.79Å; W127-F178 HydrophobicContact CZ2-CE2 4.47Å; W127-F178 AromaticContact CZ2-CG 3.8Å; W127-F178 HydrophobicContact CZ2-CG 3.8Å; C141-F178 VanDerWaalsContact SG-CD1 3.56Å; L151-F178 HydrophobicContact CD1-CD1 3.75Å; L151-F178 HydrophobicContact CD1-CE1 3.85Å; T174-F178 WeakPolarHBondContact O-CB 3.29Å; T174-F178 PolarHBondContact O-N 3.19Å; V175-F178 PolarHBondContact O-N 3.39Å; F178-E181 PolarHBondContact O-N 2.94Å; F178-R182 HydrophobicContact CD1-CG 4.11Å; F178-R182 HydrophobicContact CD2-CG 4.43Å; F178-R182 HydrophobicContact CE1-CG 3.78Å; F178-R182 HydrophobicContact CE2-CG 4.15Å; F178-R182 HydrophobicContact CG-CG 4.43Å; F178-R182 HydrophobicContact CZ-CG 3.82Å; F178-R182 WeakPolarHBondContact O-CB 3.36Å; F178-R182 WeakPolarHBondContact O-CG 3.4Å; F178-R182 PolarHBondContact O-N 3.44Å
179	T	96.9	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-43.9	178.8	-57.4	0	0	0	0	110.7	L151 V175 A176 D177 R182 G183 F184 V187 L234	L151-T179 HydrophobicContact CB-CG2 4.2Å; L151-T179 HydrophobicContact CD1-CG2 4.21Å; L151-T179 HydrophobicContact CG-CG2 4.1Å; V175-T179 WeakPolarHBondContact O-CB 3.49Å; V175-T179 PolarHBondContact O-N 3.48Å; V175-T179 PolarHBondContact O-OG1 3.41Å; A176-T179 WeakPolarHBondContact O-CB 2.85Å; A176-T179 PolarHBondContact O-N 3.5Å; D177-T179 VanDerWaalsContact C-N 3.27Å; D177-T179 PolarHBondContact O-N 2.89Å; T179-R182 PolarHBondContact O-N 3.47Å; T179-G183 PolarHBondContact O-N 3.4Å; T179-F184 HydrophobicContact CG2-CB 3.48Å; T179-F184 VanDerWaalsContact CG2-CB 3.48Å; T179-F184 PolarHBondContact O-N 3.48Å; T179-V187 HydrophobicContact CG2-CG2 3.73Å; T179-V187 VanDerWaalsContact OG1-CG2 3.27Å; T179-V187 WeakPolarHBondContact OG1-CG2 3.37Å; T179-L234 HydrophobicContact CG2-CD1 3.44Å; T179-L234 VanDerWaalsContact CG2-CD1 3.44Å
180	R	95.8	Very high	96.9	Very high	123 Å²	123	44 Å²	44	46%	0.464	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-47.1	175	-170.7	-176.5	-65.2	99	-2.9	111.8	A176 D177 R182 G183 L234	A176-R180 PolarHBondContact O-N 3.33Å; D177-R180 PolarHBondContact O-N 3.41Å; D177-R180 IonicContact OD1-NH1 2.69Å; D177-R180 PolarHBondContact OD1-NH1 3.45Å; D177-R180 VanDerWaalsContact OD1-NH1 3.14Å; R180-R182 PolarHBondContact O-N 3.41Å; R180-G183 PolarHBondContact O-N 2.96Å; R180-L234 HydrophobicContact CB-CD1 4.43Å
181	E	95.6	Very high	96.7	Very high	155 Å²	155	43.5 Å²	43.5	72%	0.724	22%	0.217	S	C	*	.	H	α-helix	trans	-58.8	-30.8	177.5	-73.5	173.5	-173.7	0	0	112.9	D177 F178 G183	D177-E181 WeakPolarHBondContact O-CG 3.33Å; D177-E181 PolarHBondContact O-N 3.47Å; F178-E181 PolarHBondContact O-N 2.94Å; E181-G183 VanDerWaalsContact C-N 3.35Å
182	R	95.4	Very high	96.3	Very high	123 Å²	123	44.4 Å²	44.4	46%	0.464	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-1.8	177.7	-64	-59.6	-175.4	172.6	0.3	113.9	F178 T179 R180 F184	F178-R182 HydrophobicContact CD1-CG 4.11Å; F178-R182 HydrophobicContact CD2-CG 4.43Å; F178-R182 HydrophobicContact CE1-CG 3.78Å; F178-R182 HydrophobicContact CE2-CG 4.15Å; F178-R182 HydrophobicContact CG-CG 4.43Å; F178-R182 HydrophobicContact CZ-CG 3.82Å; F178-R182 WeakPolarHBondContact O-CB 3.36Å; F178-R182 WeakPolarHBondContact O-CG 3.4Å; F178-R182 PolarHBondContact O-N 3.44Å; T179-R182 PolarHBondContact O-N 3.47Å; R180-R182 PolarHBondContact O-N 3.41Å; R182-F184 HydrophobicContact CB-CD2 3.6Å; R182-F184 HydrophobicContact CB-CE2 3.89Å; R182-F184 WeakPolarHBondContact O-CD2 3.47Å
183	G	94.7	Very high	95.9	Very high	70 Å²	70	46.4 Å²	46.4	72%	0.722	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	25.3	179.5	0	0	0	0	0	114.2	T179 R180 E181	T179-G183 PolarHBondContact O-N 3.4Å; R180-G183 PolarHBondContact O-N 2.96Å; E181-G183 VanDerWaalsContact C-N 3.35Å
184	F	95.8	Very high	95.5	Very high	32 Å²	32	40.3 Å²	40.3	14%	0.14	21%	0.212	C	C	.	.			trans	-90.1	141.3	173.6	-74.9	-105.7	0	0	0	109.7	N123 G149 F150 L151 T179 R182	N123-F184 HydrophobicContact CB-CE2 3.67Å; N123-F184 HydrophobicContact CB-CZ 3.76Å; G149-F184 VanDerWaalsContact C-CD1 3.44Å; G149-F184 VanDerWaalsContact O-CD1 3.26Å; G149-F184 WeakPolarHBondContact O-CD1 3.31Å; F150-F184 VanDerWaalsContact C-CD1 3.49Å; L151-F184 HydrophobicContact CD1-CD2 4.39Å; L151-F184 HydrophobicContact CD1-CG 4.49Å; L151-F184 HydrophobicContact CD2-CD1 3.62Å; L151-F184 HydrophobicContact CD2-CD2 4.01Å; L151-F184 HydrophobicContact CD2-CE1 3.49Å; L151-F184 VanDerWaalsContact CD2-CE1 3.49Å; L151-F184 HydrophobicContact CD2-CE2 3.89Å; L151-F184 HydrophobicContact CD2-CG 3.9Å; L151-F184 HydrophobicContact CD2-CZ 3.63Å; L151-F184 HydrophobicContact CG-CB 4.14Å; L151-F184 HydrophobicContact CG-CD1 3.81Å; L151-F184 HydrophobicContact CG-CD2 4.04Å; L151-F184 HydrophobicContact CG-CE1 4.22Å; L151-F184 HydrophobicContact CG-CE2 4.42Å; L151-F184 HydrophobicContact CG-CG 3.74Å; T179-F184 HydrophobicContact CG2-CB 3.48Å; T179-F184 VanDerWaalsContact CG2-CB 3.48Å; T179-F184 PolarHBondContact O-N 3.48Å; R182-F184 HydrophobicContact CB-CD2 3.6Å; R182-F184 HydrophobicContact CB-CE2 3.89Å; R182-F184 WeakPolarHBondContact O-CD2 3.47Å
185	S	95.3	Very high	95.1	Very high	64 Å²	64	39.1 Å²	39.1	45%	0.448	21%	0.205	S	C	.	.	S	Bend	trans	-84.6	-16.2	-171.8	52.3	0	0	0	0	114.4	G149 F150 L234	G149-S185 PolarHBondContact O-N 3.09Å; F150-S185 VanDerWaalsContact CE1-OG 3.3Å; F150-S185 WeakPolarHBondContact CE1-OG 3.37Å; S185-L234 PolarHBondContact O-N 3.22Å
186	A	97.1	Very high	94.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	159.1	178.8	0	0	0	0	0	113.4	F150 L151 R231 L232	F150-A186 WeakPolarHBondContact CA-O 3.4Å; F150-A186 HydrophobicContact CD1-CB 3.59Å; F150-A186 HydrophobicContact CE1-CB 3.84Å; F150-A186 HydrophobicContact CG-CB 4.02Å; F150-A186 HydrophobicContact CZ-CB 4.45Å; L151-A186 PolarHBondContact N-O 3.44Å; L151-A186 VanDerWaalsContact N-O 3.08Å; A186-R231 HydrophobicContact CB-CG 3.97Å; A186-L232 CarbonylContact C-O 3.52Å; A186-L232 WeakPolarHBondContact CA-O 3.25Å; A186-L232 VanDerWaalsContact CB-O 3.29Å; A186-L232 WeakPolarHBondContact CB-O 3.22Å
187	V	98	Very high	94.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.3	166.2	-172.6	0	0	0	0	109.3	L151 L153 V175 T179 Y207 R231 L232 L234	L151-V187 CarbonylContact O-C 3.54Å; L151-V187 VanDerWaalsContact O-CA 3.31Å; L151-V187 WeakPolarHBondContact O-CA 3.46Å; L153-V187 HydrophobicContact CB-CG1 3.81Å; V175-V187 HydrophobicContact CG1-CG1 3.99Å; V175-V187 HydrophobicContact CG1-CG2 4.36Å; T179-V187 HydrophobicContact CG2-CG2 3.73Å; T179-V187 VanDerWaalsContact OG1-CG2 3.27Å; T179-V187 WeakPolarHBondContact OG1-CG2 3.37Å; V187-Y207 HydrophobicContact CB-CE1 4.06Å; V187-Y207 HydrophobicContact CG1-CE1 4.03Å; V187-Y207 WeakPolarHBondContact CG1-OH 3.34Å; V187-R231 CarbonylContact O-C 3.12Å; V187-R231 WeakPolarHBondContact O-CA 3.4Å; V187-L232 HydrophobicContact CB-CB 4.44Å; V187-L232 PolarHBondContact N-O 3.26Å; V187-L232 PolarHBondContact O-N 2.82Å; V187-L234 HydrophobicContact CG2-CD1 4.23Å
188	I	97.8	Very high	94.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	157.1	170	66.1	166.2	0	0	0	111.3	A144 A147 F150 L151 E152 L153 Y190 Y230 R231	A144-I188 HydrophobicContact CB-CD1 3.48Å; A144-I188 VanDerWaalsContact CB-CD1 3.48Å; A144-I188 HydrophobicContact CB-CG1 3.98Å; A147-I188 HydrophobicContact CB-CD1 4.22Å; F150-I188 HydrophobicContact CB-CG2 4.25Å; F150-I188 HydrophobicContact CD2-CG2 3.73Å; F150-I188 HydrophobicContact CG-CG2 4.31Å; L151-I188 PolarHBondContact O-N 3.31Å; E152-I188 CarbonylContact C-O 3.52Å; E152-I188 VanDerWaalsContact CA-O 3.3Å; E152-I188 WeakPolarHBondContact CA-O 3.49Å; E152-I188 HydrophobicContact CB-CG1 4.08Å; E152-I188 HydrophobicContact CG-CG1 4.23Å; L153-I188 PolarHBondContact N-O 3.06Å; I188-Y190 HydrophobicContact CD1-CE2 4.3Å; I188-Y230 CarbonylContact C-O 3.59Å; I188-Y230 VanDerWaalsContact CA-O 3.27Å; I188-Y230 WeakPolarHBondContact CA-O 3.46Å; I188-R231 HydrophobicContact CG2-CB 4.29Å; I188-R231 HydrophobicContact CG2-CG 4.01Å
189	L	97.2	Very high	94.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	160.4	170.5	63.9	88.6	0	0	0	111.5	L153 Y202 Y207 E229 Y230	L153-L189 HydrophobicContact CB-CB 4.19Å; L153-L189 HydrophobicContact CD1-CD2 4.49Å; L153-L189 HydrophobicContact CD2-CB 4.48Å; L153-L189 HydrophobicContact CD2-CD2 4.39Å; L189-Y202 HydrophobicContact CD1-CD1 4.43Å; L189-Y202 HydrophobicContact CD1-CD2 3.53Å; L189-Y202 HydrophobicContact CD1-CE1 4.35Å; L189-Y202 HydrophobicContact CD1-CE2 3.42Å; L189-Y202 VanDerWaalsContact CD1-CE2 3.42Å; L189-Y202 HydrophobicContact CD1-CG 4.06Å; L189-Y202 HydrophobicContact CD2-CD1 3.39Å; L189-Y202 HydrophobicContact CD2-CD2 4.04Å; L189-Y202 HydrophobicContact CD2-CE1 3.37Å; L189-Y202 HydrophobicContact CD2-CE2 4.01Å; L189-Y202 HydrophobicContact CD2-CG 3.75Å; L189-Y202 HydrophobicContact CG-CD2 4.45Å; L189-Y202 HydrophobicContact CG-CE2 4.39Å; L189-Y207 HydrophobicContact CD2-CD1 3.79Å; L189-Y207 HydrophobicContact CD2-CE1 3.54Å; L189-Y207 HydrophobicContact CD2-CG 4.43Å; L189-Y207 HydrophobicContact CG-CD1 4.34Å; L189-Y207 HydrophobicContact CG-CE1 4.32Å; L189-E229 WeakPolarHBondContact O-CA 3.34Å; L189-Y230 HydrophobicContact CD1-CD2 3.99Å; L189-Y230 HydrophobicContact CD1-CG 4.24Å; L189-Y230 PolarHBondContact N-O 3.3Å; L189-Y230 PolarHBondContact O-N 3Å
190	Y	95	Very high	94.2	Very high	60 Å²	60	52.2 Å²	52.2	24%	0.235	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.3	174.1	-57.7	-82.8	0	0	0	110.1	T146 E152 I188 F213 I228 E229	T146-Y190 PolarHBondContact OG1-OH 3.32Å; E152-Y190 HydrophobicContact CG-CD2 4.5Å; E152-Y190 HydrophobicContact CG-CE2 4.44Å; E152-Y190 WeakPolarHBondContact OE1-CD2 3.29Å; I188-Y190 HydrophobicContact CD1-CE2 4.3Å; Y190-F213 AromaticContact CD1-CE1 3.8Å; Y190-F213 HydrophobicContact CD1-CE1 3.8Å; Y190-F213 AromaticContact CD1-CZ 3.61Å; Y190-F213 HydrophobicContact CD1-CZ 3.61Å; Y190-F213 AromaticContact CE1-CE1 3.74Å; Y190-F213 HydrophobicContact CE1-CE1 3.74Å; Y190-F213 AromaticContact CE1-CZ 3.69Å; Y190-F213 HydrophobicContact CE1-CZ 3.69Å; Y190-I228 WeakPolarHBondContact CA-O 3.35Å; Y190-E229 HydrophobicContact CD1-CB 3.96Å; Y190-E229 HydrophobicContact CD1-CG 4.18Å; Y190-E229 HydrophobicContact CE1-CB 3.79Å; Y190-E229 HydrophobicContact CE1-CG 3.7Å
191	T	93.3	Very high	94.2	Very high	14 Å²	14	47.8 Å²	47.8	9%	0.086	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.7	175.6	-163.7	0	0	0	0	110.9	Q199 Y202 L227 I228 Y230	T191-Q199 HydrophobicContact CG2-CG 3.78Å; T191-Y202 HydrophobicContact CG2-CD2 4.42Å; T191-Y202 HydrophobicContact CG2-CE2 4.39Å; T191-L227 CarbonylContact O-C 3.47Å; T191-L227 WeakPolarHBondContact O-CA 3.3Å; T191-I228 HydrophobicContact CG2-CB 4.36Å; T191-I228 PolarHBondContact N-O 3.34Å; T191-I228 PolarHBondContact O-N 2.98Å; T191-Y230 HydrophobicContact CG2-CD2 3.92Å; T191-Y230 HydrophobicContact CG2-CE2 3.68Å
192	S	90.6	Very high	94.3	Very high	19 Å²	19	41 Å²	41	13%	0.133	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	151.1	178.5	73.9	0	0	0	0	111.5	V194 A195 Q199 F225	S192-V194 PolarHBondContact O-N 2.89Å; S192-V194 VanDerWaalsContact O-N 3.13Å; S192-V194 WeakPolarHBondContact OG-CG2 3.28Å; S192-A195 WeakPolarHBondContact O-CB 3.29Å; S192-A195 PolarHBondContact O-N 2.81Å; S192-A195 WeakPolarHBondContact OG-CB 3.34Å; S192-A195 PolarHBondContact OG-N 3.44Å; S192-Q199 PolarHBondContact O-NE2 2.86Å; S192-F225 VanDerWaalsContact CB-CZ 3.49Å
193	M	89.1	Confident	94.4	Very high	43 Å²	43	40.1 Å²	40.1	21%	0.212	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.3	174.8	67.4	-178.5	-63.9	0	0	113.7	H52 Q199 T226 I228	H52-M193 WeakPolarHBondContact NE2-CE 3.38Å; M193-Q199 VanDerWaalsContact C-NE2 3.29Å; M193-Q199 PolarHBondContact O-NE2 3.23Å; M193-T226 PolarHBondContact N-O 2.92Å; M193-T226 PolarHBondContact SD-N 3.43Å; M193-T226 PolarHBondContact SD-OG1 3.36Å; M193-I228 HydrophobicContact CB-CD1 4.37Å
194	V	89	Confident	94.5	Very high	15 Å²	15	42.8 Å²	42.8	9%	0.091	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-15.1	179.1	-60.2	0	0	0	0	113.1	H45 H52 S192 T196 F225	H45-V194 HydrophobicContact CB-CG2 4.44Å; H52-V194 HydrophobicContact CB-CG1 4.2Å; S192-V194 PolarHBondContact O-N 2.89Å; S192-V194 VanDerWaalsContact O-N 3.13Å; S192-V194 WeakPolarHBondContact OG-CG2 3.28Å; V194-T196 PolarHBondContact O-N 3.06Å; V194-F225 HydrophobicContact CG1-CD2 4.44Å; V194-F225 HydrophobicContact CG1-CE2 4.01Å; V194-F225 HydrophobicContact CG2-CE2 3.69Å; V194-F225 HydrophobicContact CG2-CZ 4.01Å
195	A	90.4	Very high	94.5	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.041	22%	0.222	C	C	.	.			trans	-81.7	59.6	177.7	0	0	0	0	0	111.8	H45 S192 D197 A198 Q199	H45-A195 WeakPolarHBondContact NE2-CB 3.48Å; S192-A195 WeakPolarHBondContact O-CB 3.29Å; S192-A195 PolarHBondContact O-N 2.81Å; S192-A195 WeakPolarHBondContact OG-CB 3.34Å; S192-A195 PolarHBondContact OG-N 3.44Å; A195-D197 VanDerWaalsContact C-N 3.31Å; A195-D197 PolarHBondContact O-N 3.21Å; A195-A198 HydrophobicContact CB-CB 4.08Å; A195-A198 WeakPolarHBondContact O-CB 3.43Å; A195-A198 PolarHBondContact O-N 3.48Å; A195-A198 VanDerWaalsContact O-N 3.1Å; A195-Q199 PolarHBondContact O-N 3.12Å
196	T	91.8	Very high	94.6	Very high	75 Å²	75	41.7 Å²	41.7	46%	0.46	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-34.5	-172.3	58.8	0	0	0	0	113.9	V194 Q199 K200	V194-T196 PolarHBondContact O-N 3.06Å; T196-Q199 PolarHBondContact O-N 2.93Å; T196-K200 WeakPolarHBondContact O-CG 3.3Å; T196-K200 PolarHBondContact O-N 2.95Å; T196-K200 VanDerWaalsContact O-N 3.07Å
197	D	91.7	Very high	94.6	Very high	112 Å²	112	42 Å²	42	60%	0.599	22%	0.222	S	C	*	.	H	α-helix	trans	-67.1	-37.6	175.9	-71.5	-18.1	0	0	0	112.2	A195 L201	A195-D197 VanDerWaalsContact C-N 3.31Å; A195-D197 PolarHBondContact O-N 3.21Å; D197-L201 WeakPolarHBondContact O-CB 3.25Å; D197-L201 PolarHBondContact O-N 3.45Å
198	A	93.2	Very high	94.6	Very high	24 Å²	24	48.4 Å²	48.4	20%	0.198	25%	0.249	C	C	.	.	H	α-helix	trans	-68	-42.6	175.8	0	0	0	0	0	110.8	A195 K200 L201 Y202	A195-A198 HydrophobicContact CB-CB 4.08Å; A195-A198 WeakPolarHBondContact O-CB 3.43Å; A195-A198 PolarHBondContact O-N 3.48Å; A195-A198 VanDerWaalsContact O-N 3.1Å; A198-K200 PolarHBondContact O-N 2.94Å; A198-L201 WeakPolarHBondContact O-CB 3.31Å; A198-L201 PolarHBondContact O-N 2.9Å; A198-Y202 HydrophobicContact CB-CD2 4.39Å; A198-Y202 HydrophobicContact CB-CE2 3.82Å; A198-Y202 WeakPolarHBondContact O-CD2 3.43Å; A198-Y202 VanDerWaalsContact O-CG 3.26Å; A198-Y202 PolarHBondContact O-N 3.5Å
199	Q	96.1	Very high	94.5	Very high	29 Å²	29	53.1 Å²	53.1	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-57	-51	175.4	-68.2	173.1	55.2	0	0	111.5	T191 S192 M193 A195 T196 L201 Y202 E203 I228 Y230	T191-Q199 HydrophobicContact CG2-CG 3.78Å; S192-Q199 PolarHBondContact O-NE2 2.86Å; M193-Q199 VanDerWaalsContact C-NE2 3.29Å; M193-Q199 PolarHBondContact O-NE2 3.23Å; A195-Q199 PolarHBondContact O-N 3.12Å; T196-Q199 PolarHBondContact O-N 2.93Å; Q199-L201 VanDerWaalsContact C-N 3.29Å; Q199-L201 PolarHBondContact O-N 3.4Å; Q199-Y202 PolarHBondContact O-N 3.37Å; Q199-Y202 VanDerWaalsContact O-N 3.14Å; Q199-E203 WeakPolarHBondContact O-CG 3.5Å; Q199-E203 PolarHBondContact O-N 3.3Å; Q199-I228 HydrophobicContact CG-CD1 4.47Å; Q199-Y230 HydrophobicContact CG-CE2 4.12Å
200	K	95.8	Very high	94.4	Very high	133 Å²	133	57 Å²	57	58%	0.578	29%	0.289	S	S	*	.	H	α-helix	trans	-59.1	-39.4	176.6	-70.9	174.1	-175.7	171.7	0	112.6	T196 A198 H204	T196-K200 WeakPolarHBondContact O-CG 3.3Å; T196-K200 PolarHBondContact O-N 2.95Å; T196-K200 VanDerWaalsContact O-N 3.07Å; A198-K200 PolarHBondContact O-N 2.94Å; K200-H204 WeakPolarHBondContact O-CB 3.39Å; K200-H204 PolarHBondContact O-N 2.89Å
201	L	96.2	Very high	94.3	Very high	29 Å²	29	60.6 Å²	60.6	15%	0.152	30%	0.302	C	S	.	.	H	α-helix	trans	-59.7	-50.8	174.9	169.1	70.2	0	0	0	110.7	A168 K169 D197 A198 Q199 H204 M205	A168-L201 HydrophobicContact CB-CD1 4.13Å; A168-L201 HydrophobicContact CB-CD2 3.46Å; A168-L201 VanDerWaalsContact CB-CD2 3.46Å; A168-L201 HydrophobicContact CB-CG 4.45Å; K169-L201 HydrophobicContact CG-CD1 3.59Å; D197-L201 WeakPolarHBondContact O-CB 3.25Å; D197-L201 PolarHBondContact O-N 3.45Å; A198-L201 WeakPolarHBondContact O-CB 3.31Å; A198-L201 PolarHBondContact O-N 2.9Å; Q199-L201 VanDerWaalsContact C-N 3.29Å; Q199-L201 PolarHBondContact O-N 3.4Å; L201-H204 PolarHBondContact O-N 3.21Å; L201-M205 HydrophobicContact CD1-CG 4.2Å; L201-M205 WeakPolarHBondContact O-CB 3.36Å; L201-M205 VanDerWaalsContact O-CG 3.27Å; L201-M205 WeakPolarHBondContact O-CG 3.37Å; L201-M205 PolarHBondContact O-N 2.84Å
202	Y	97.5	Very high	94.2	Very high	14 Å²	14	64.3 Å²	64.3	6%	0.055	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-45.2	-176.9	-60.6	-47	0	0	0	111.7	L189 T191 A198 Q199 H204 M205 G206 Y207	L189-Y202 HydrophobicContact CD1-CD1 4.43Å; L189-Y202 HydrophobicContact CD1-CD2 3.53Å; L189-Y202 HydrophobicContact CD1-CE1 4.35Å; L189-Y202 HydrophobicContact CD1-CE2 3.42Å; L189-Y202 VanDerWaalsContact CD1-CE2 3.42Å; L189-Y202 HydrophobicContact CD1-CG 4.06Å; L189-Y202 HydrophobicContact CD2-CD1 3.39Å; L189-Y202 HydrophobicContact CD2-CD2 4.04Å; L189-Y202 HydrophobicContact CD2-CE1 3.37Å; L189-Y202 HydrophobicContact CD2-CE2 4.01Å; L189-Y202 HydrophobicContact CD2-CG 3.75Å; L189-Y202 HydrophobicContact CG-CD2 4.45Å; L189-Y202 HydrophobicContact CG-CE2 4.39Å; T191-Y202 HydrophobicContact CG2-CD2 4.42Å; T191-Y202 HydrophobicContact CG2-CE2 4.39Å; A198-Y202 HydrophobicContact CB-CD2 4.39Å; A198-Y202 HydrophobicContact CB-CE2 3.82Å; A198-Y202 WeakPolarHBondContact O-CD2 3.43Å; A198-Y202 VanDerWaalsContact O-CG 3.26Å; A198-Y202 PolarHBondContact O-N 3.5Å; Q199-Y202 PolarHBondContact O-N 3.37Å; Q199-Y202 VanDerWaalsContact O-N 3.14Å; Y202-H204 VanDerWaalsContact C-N 3.31Å; Y202-H204 PolarHBondContact O-N 2.92Å; Y202-M205 CarbonylContact O-C 3.59Å; Y202-M205 WeakPolarHBondContact O-CA 3.36Å; Y202-M205 WeakPolarHBondContact O-CB 3.31Å; Y202-M205 PolarHBondContact O-N 3.3Å; Y202-G206 PolarHBondContact O-N 2.86Å; Y202-Y207 HydrophobicContact CD1-CD2 4.44Å; Y202-Y207 HydrophobicContact CD1-CE2 4.5Å; Y202-Y207 WeakPolarHBondContact O-CB 3.32Å; Y202-Y207 WeakPolarHBondContact O-CD2 3.3Å; Y202-Y207 PolarHBondContact O-N 2.93Å
203	E	97	Very high	94.1	Very high	104 Å²	104	66.4 Å²	66.4	49%	0.486	33%	0.325	S	S	.	.	H	α-helix	trans	-57.7	-44.2	174.9	-69.8	173.7	172.6	0	0	111.6	Q199 M205 G206 Y230	Q199-E203 WeakPolarHBondContact O-CG 3.5Å; Q199-E203 PolarHBondContact O-N 3.3Å; E203-M205 VanDerWaalsContact C-N 3.26Å; E203-M205 PolarHBondContact O-N 3.46Å; E203-G206 PolarHBondContact O-N 3.38Å; E203-Y230 HydrophobicContact CG-CE1 3.79Å; E203-Y230 PolarHBondContact OE1-OH 3.42Å
204	H	95.9	Very high	93.7	Very high	126 Å²	126	67.4 Å²	67.4	58%	0.583	34%	0.335	S	S	*	.	H	α-helix	trans	-66.8	-27	176.4	-176.7	79.6	0	0	0	113.4	K169 K200 L201 Y202 G206	K169-H204 VanDerWaalsContact CE-CD2 3.49Å; K169-H204 WeakPolarHBondContact CE-CD2 3.4Å; K169-H204 PolarHBondContact NZ-CD2 3.41Å; K169-H204 PolarHBondContact NZ-NE2 2.99Å; K200-H204 WeakPolarHBondContact O-CB 3.39Å; K200-H204 PolarHBondContact O-N 2.89Å; L201-H204 PolarHBondContact O-N 3.21Å; Y202-H204 VanDerWaalsContact C-N 3.31Å; Y202-H204 PolarHBondContact O-N 2.92Å; H204-G206 PolarHBondContact O-N 2.87Å
205	M	96.8	Very high	93.1	Very high	33 Å²	33	67.7 Å²	67.7	16%	0.163	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	1.5	173.9	-73.1	-58	-55.1	0	0	112.9	K169 C172 R173 L201 Y202 E203 Y207	K169-M205 HydrophobicContact CB-SD 3.79Å; K169-M205 HydrophobicContact CD-SD 4.42Å; K169-M205 HydrophobicContact CG-SD 3.92Å; C172-M205 HydrophobicContact CB-CE 3.94Å; C172-M205 HydrophobicContact CB-CG 4.17Å; R173-M205 HydrophobicContact CG-CE 3.61Å; L201-M205 HydrophobicContact CD1-CG 4.2Å; L201-M205 WeakPolarHBondContact O-CB 3.36Å; L201-M205 VanDerWaalsContact O-CG 3.27Å; L201-M205 WeakPolarHBondContact O-CG 3.37Å; L201-M205 PolarHBondContact O-N 2.84Å; Y202-M205 CarbonylContact O-C 3.59Å; Y202-M205 WeakPolarHBondContact O-CA 3.36Å; Y202-M205 WeakPolarHBondContact O-CB 3.31Å; Y202-M205 PolarHBondContact O-N 3.3Å; E203-M205 VanDerWaalsContact C-N 3.26Å; E203-M205 PolarHBondContact O-N 3.46Å; M205-Y207 HydrophobicContact CB-CD2 3.85Å; M205-Y207 HydrophobicContact CB-CE2 4Å
206	G	96.6	Very high	91.8	Very high	40 Å²	40	72.5 Å²	72.5	41%	0.412	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	4.2	178.1	0	0	0	0	0	114.6	Y202 E203 H204	Y202-G206 PolarHBondContact O-N 2.86Å; E203-G206 PolarHBondContact O-N 3.38Å; H204-G206 PolarHBondContact O-N 2.87Å
207	Y	97.7	Very high	90.8	Very high	7 Å²	7	73.7 Å²	73.7	3%	0.027	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-69	136.7	173.5	-69.9	-105.1	0	0	0	110.4	V187 L189 Y202 M205 R231 L232	V187-Y207 HydrophobicContact CB-CE1 4.06Å; V187-Y207 HydrophobicContact CG1-CE1 4.03Å; V187-Y207 WeakPolarHBondContact CG1-OH 3.34Å; L189-Y207 HydrophobicContact CD2-CD1 3.79Å; L189-Y207 HydrophobicContact CD2-CE1 3.54Å; L189-Y207 HydrophobicContact CD2-CG 4.43Å; L189-Y207 HydrophobicContact CG-CD1 4.34Å; L189-Y207 HydrophobicContact CG-CE1 4.32Å; Y202-Y207 HydrophobicContact CD1-CD2 4.44Å; Y202-Y207 HydrophobicContact CD1-CE2 4.5Å; Y202-Y207 WeakPolarHBondContact O-CB 3.32Å; Y202-Y207 WeakPolarHBondContact O-CD2 3.3Å; Y202-Y207 PolarHBondContact O-N 2.93Å; M205-Y207 HydrophobicContact CB-CD2 3.85Å; M205-Y207 HydrophobicContact CB-CE2 4Å; Y207-R231 CarbonylContact C-O 3.43Å; Y207-R231 WeakPolarHBondContact CA-O 3.3Å; Y207-L232 HydrophobicContact CD1-CB 3.54Å; Y207-L232 HydrophobicContact CD2-CB 4.01Å; Y207-L232 HydrophobicContact CD2-CD2 4.39Å; Y207-L232 HydrophobicContact CE1-CB 3.46Å; Y207-L232 VanDerWaalsContact CE1-CB 3.46Å; Y207-L232 HydrophobicContact CE2-CB 3.97Å; Y207-L232 HydrophobicContact CE2-CD2 3.83Å; Y207-L232 HydrophobicContact CE2-CG 4.42Å; Y207-L232 HydrophobicContact CG-CB 3.81Å
208	K	97.3	Very high	89.3	Confident	134 Å²	134	75.3 Å²	75.3	58%	0.583	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.9	175.7	-63	177.3	-174.8	167.8	0	110	M210 Y230 R231	K208-M210 HydrophobicContact CB-SD 4.29Å; K208-M210 PolarHBondContact O-N 2.87Å; K208-Y230 CarbonylContact O-C 3.53Å; K208-Y230 VanDerWaalsContact O-CA 3.31Å; K208-Y230 WeakPolarHBondContact O-CA 3.42Å; K208-R231 PolarHBondContact N-O 3.28Å; K208-R231 PolarHBondContact O-N 3.09Å
209	K	96.9	Very high	87.7	Confident	99 Å²	99	78.6 Å²	78.6	43%	0.43	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	118.7	172.6	179.3	169.4	178.9	-178.7	0	109.2	I228 Y230	K209-I228 HydrophobicContact CD-CG2 3.69Å; K209-I228 HydrophobicContact CG-CG2 3.55Å; K209-Y230 HydrophobicContact CB-CD1 4.26Å; K209-Y230 HydrophobicContact CB-CE1 3.78Å
210	M	95	Very high	86.2	Confident	83 Å²	83	77.5 Å²	77.5	41%	0.409	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-53.3	-175.3	-59.6	-51.9	-64	0	0	112	K208 E229 R231	K208-M210 HydrophobicContact CB-SD 4.29Å; K208-M210 PolarHBondContact O-N 2.87Å; M210-E229 HydrophobicContact CB-CG 4.46Å; M210-E229 PolarHBondContact N-O 3.41Å; M210-R231 HydrophobicContact CG-CB 3.56Å; M210-R231 HydrophobicContact SD-CB 3.89Å
211	R	92.9	Very high	84.8	Confident	135 Å²	135	77.1 Å²	77.1	51%	0.509	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	162.9	179.7	59.8	176.8	177	-174.9	-6.2	111.5	F213 I228 E229	R211-F213 HydrophobicContact CG-CD1 4.34Å; R211-I228 WeakPolarHBondContact O-CA 3.34Å; R211-E229 HydrophobicContact CG-CB 3.93Å; R211-E229 IonicContact CZ-OE2 3.96Å; R211-E229 IonicContact NE-OE2 3.49Å; R211-E229 PolarHBondContact NE-OE2 3.47Å; R211-E229 IonicContact NH2-OE2 2.89Å; R211-E229 PolarHBondContact NH2-OE2 2.96Å; R211-E229 PolarHBondContact O-N 3.33Å
212	Q	91.9	Very high	83.2	Confident	91 Å²	91	80 Å²	80	43%	0.425	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.9	175.3	-176.8	170.7	-3.9	0	0	108.2	T226 L227 I228	Q212-T226 HydrophobicContact CG-CG2 4.18Å; Q212-T226 PolarHBondContact NE2-OG1 3.43Å; Q212-L227 CarbonylContact C-O 3.56Å; Q212-L227 VanDerWaalsContact CA-O 3.26Å; Q212-L227 WeakPolarHBondContact CA-O 3.4Å; Q212-I228 HydrophobicContact CB-CG1 4.37Å; Q212-I228 HydrophobicContact CG-CG1 3.97Å
213	F	86.8	Confident	81.9	Confident	63 Å²	63	81.2 Å²	81.2	28%	0.276	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.3	-176.3	56.6	-88.2	0	0	0	111	Y190 R211 T226 L227 E229	Y190-F213 AromaticContact CD1-CE1 3.8Å; Y190-F213 HydrophobicContact CD1-CE1 3.8Å; Y190-F213 AromaticContact CD1-CZ 3.61Å; Y190-F213 HydrophobicContact CD1-CZ 3.61Å; Y190-F213 AromaticContact CE1-CE1 3.74Å; Y190-F213 HydrophobicContact CE1-CE1 3.74Å; Y190-F213 AromaticContact CE1-CZ 3.69Å; Y190-F213 HydrophobicContact CE1-CZ 3.69Å; R211-F213 HydrophobicContact CG-CD1 4.34Å; F213-T226 CarbonylContact O-C 3.56Å; F213-T226 VanDerWaalsContact O-CA 3.29Å; F213-T226 WeakPolarHBondContact O-CA 3.35Å; F213-T226 WeakPolarHBondContact O-CB 3.48Å; F213-L227 HydrophobicContact CD2-CB 4.4Å; F213-L227 HydrophobicContact CE1-CB 4.34Å; F213-L227 HydrophobicContact CE2-CB 3.91Å; F213-L227 HydrophobicContact CE2-CD1 4.01Å; F213-L227 HydrophobicContact CZ-CB 3.87Å; F213-L227 HydrophobicContact CZ-CD1 4.3Å; F213-L227 PolarHBondContact N-O 3.39Å; F213-L227 PolarHBondContact O-N 2.97Å; F213-E229 HydrophobicContact CE1-CB 4.45Å
214	P	81.7	Confident	80.8	Confident	65 Å²	65	80.2 Å²	80.2	42%	0.422	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	143.1	176.9	28.8	-33.7	0	0	0	110	K221 T226	P214-K221 HydrophobicContact CB-CG 4.25Å; P214-T226 HydrophobicContact CB-CG2 4.49Å
215	V	75.2	Confident	80	Confident	20 Å²	20	75.5 Å²	75.5	12%	0.121	37%	0.371	C	S	.	.			trans	-62.5	137.5	170.3	-178.5	0	0	0	0	108	E217 A220 F225 L227	V215-E217 HydrophobicContact CG1-CB 4.29Å; V215-E217 HydrophobicContact CG1-CG 4.07Å; V215-E217 WeakPolarHBondContact CG1-OE2 3.36Å; V215-E217 PolarHBondContact O-N 2.94Å; V215-A220 HydrophobicContact CB-CB 3.66Å; V215-A220 HydrophobicContact CG1-CB 4.27Å; V215-F225 HydrophobicContact CG2-CD1 3.85Å; V215-F225 HydrophobicContact CG2-CE1 4.31Å; V215-F225 PolarHBondContact N-O 2.87Å; V215-L227 HydrophobicContact CG2-CD1 3.99Å; V215-L227 HydrophobicContact CG2-CD2 4.38Å; V215-L227 HydrophobicContact CG2-CG 3.7Å
216	P	63	Low	79.5	Confident	106 Å²	106	74.4 Å²	74.4	69%	0.688	37%	0.367	S	S	*	.	S	Bend	trans	-59.1	-23.6	-172.3	-25.7	34.1	0	0	0	114.4	F218	P216-F218 PolarHBondContact O-N 3.4Å
217	E	70.9	Confident	79.3	Confident	101 Å²	101	74.7 Å²	74.7	47%	0.472	36%	0.358	S	S	.	.	S	Bend	trans	-59.2	129.9	-178.1	-63.7	166.1	158.3	0	0	111.5	M98 V215 F219 A220 K221	M98-E217 HydrophobicContact CE-CB 4Å; M98-E217 HydrophobicContact CE-CG 4.17Å; M98-E217 WeakPolarHBondContact CE-OE2 3.48Å; V215-E217 HydrophobicContact CG1-CB 4.29Å; V215-E217 HydrophobicContact CG1-CG 4.07Å; V215-E217 WeakPolarHBondContact CG1-OE2 3.36Å; V215-E217 PolarHBondContact O-N 2.94Å; E217-F219 PolarHBondContact O-N 3.49Å; E217-F219 VanDerWaalsContact O-N 3.14Å; E217-A220 HydrophobicContact CB-CB 4.15Å; E217-A220 WeakPolarHBondContact O-CB 3.3Å; E217-A220 PolarHBondContact O-N 3.03Å; E217-K221 PolarHBondContact O-N 3.36Å
218	F	60.8	Low	79.1	Confident	145 Å²	145	74.4 Å²	74.4	64%	0.636	36%	0.357	S	S	*	.	H	α-helix	trans	-50.6	-43.7	-175.2	177.3	-105	0	0	0	113	P216 K221 I222	P216-F218 PolarHBondContact O-N 3.4Å; F218-K221 WeakPolarHBondContact O-CB 3.43Å; F218-K221 PolarHBondContact O-N 2.86Å; F218-I222 HydrophobicContact CD1-CD1 3.8Å; F218-I222 HydrophobicContact CE1-CD1 3.32Å; F218-I222 HydrophobicContact CE1-CG1 4.42Å; F218-I222 HydrophobicContact CZ-CD1 3.73Å; F218-I222 PolarHBondContact O-N 3.04Å
219	F	59.9	Low	79	Confident	94 Å²	94	69 Å²	69	41%	0.412	33%	0.334	S	S	.	.	H	α-helix	trans	-72.2	-33.2	-179.6	-70.1	-70.7	0	0	0	113.6	M94 E217 K221 I222 I223	M94-F219 HydrophobicContact CE-CB 3.93Å; M94-F219 HydrophobicContact CE-CD1 3.2Å; M94-F219 HydrophobicContact CE-CD2 3.26Å; M94-F219 HydrophobicContact CE-CE1 3.36Å; M94-F219 HydrophobicContact CE-CE2 3.39Å; M94-F219 HydrophobicContact CE-CG 3.15Å; M94-F219 HydrophobicContact CE-CZ 3.45Å; M94-F219 VanDerWaalsContact CE-CZ 3.45Å; M94-F219 HydrophobicContact SD-CD1 4.02Å; M94-F219 HydrophobicContact SD-CE1 4.3Å; M94-F219 HydrophobicContact SD-CG 4.31Å; E217-F219 PolarHBondContact O-N 3.49Å; E217-F219 VanDerWaalsContact O-N 3.14Å; F219-K221 PolarHBondContact O-N 2.91Å; F219-I222 HydrophobicContact CD1-CD1 3.92Å; F219-I222 HydrophobicContact CE1-CD1 4.21Å; F219-I222 WeakPolarHBondContact O-CB 3.49Å; F219-I222 PolarHBondContact O-N 2.91Å; F219-I222 VanDerWaalsContact O-N 3.12Å; F219-I223 WeakPolarHBondContact O-CG1 3.48Å; F219-I223 PolarHBondContact O-N 3.42Å; F219-I223 VanDerWaalsContact O-N 3.1Å
220	A	65.2	Low	79.1	Confident	5 Å²	5	64.3 Å²	64.3	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-62.5	-33.7	173.7	0	0	0	0	0	111.7	V215 E217 N224 F225	V215-A220 HydrophobicContact CB-CB 3.66Å; V215-A220 HydrophobicContact CG1-CB 4.27Å; E217-A220 HydrophobicContact CB-CB 4.15Å; E217-A220 WeakPolarHBondContact O-CB 3.3Å; E217-A220 PolarHBondContact O-N 3.03Å; A220-N224 CarbonylContact O-C 3.6Å; A220-N224 PolarHBondContact O-N 3.34Å; A220-N224 VanDerWaalsContact O-N 3.08Å; A220-F225 HydrophobicContact CB-CB 4.2Å; A220-F225 PolarHBondContact O-N 2.95Å
221	K	66.1	Low	79.2	Confident	125 Å²	125	63.7 Å²	63.7	54%	0.543	31%	0.307	S	S	.	.	H	α-helix	trans	-67.5	-40.1	171.8	-66.1	-178.7	-178.2	176.7	0	112.7	P214 E217 F218 F219 I223 N224	P214-K221 HydrophobicContact CB-CG 4.25Å; E217-K221 PolarHBondContact O-N 3.36Å; F218-K221 WeakPolarHBondContact O-CB 3.43Å; F218-K221 PolarHBondContact O-N 2.86Å; F219-K221 PolarHBondContact O-N 2.91Å; K221-I223 VanDerWaalsContact C-N 3.27Å; K221-I223 PolarHBondContact O-N 3.49Å; K221-N224 PolarHBondContact O-N 3.41Å
222	I	62.8	Low	79.4	Confident	91 Å²	91	58.4 Å²	58.4	47%	0.467	29%	0.289	S	S	.	.	H	α-helix	trans	-62.2	-37.7	178	-69.9	170.4	0	0	0	111.2	F218 F219	F218-I222 HydrophobicContact CD1-CD1 3.8Å; F218-I222 HydrophobicContact CE1-CD1 3.32Å; F218-I222 HydrophobicContact CE1-CG1 4.42Å; F218-I222 HydrophobicContact CZ-CD1 3.73Å; F218-I222 PolarHBondContact O-N 3.04Å; F219-I222 HydrophobicContact CD1-CD1 3.92Å; F219-I222 HydrophobicContact CE1-CD1 4.21Å; F219-I222 WeakPolarHBondContact O-CB 3.49Å; F219-I222 PolarHBondContact O-N 2.91Å; F219-I222 VanDerWaalsContact O-N 3.12Å
223	I	69.1	Low	79.6	Confident	38 Å²	38	57.1 Å²	57.1	20%	0.195	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	9.9	-178.8	69.4	176.3	0	0	0	113.6	H52 V53 F219 K221 F225	H52-I223 PolarHBondContact CE1-O 3.2Å; V53-I223 HydrophobicContact CB-CG2 4.47Å; V53-I223 HydrophobicContact CG1-CG2 3.87Å; V53-I223 HydrophobicContact CG2-CB 3.82Å; V53-I223 HydrophobicContact CG2-CD1 3.84Å; V53-I223 HydrophobicContact CG2-CG1 4.36Å; V53-I223 HydrophobicContact CG2-CG2 3.82Å; F219-I223 WeakPolarHBondContact O-CG1 3.48Å; F219-I223 PolarHBondContact O-N 3.42Å; F219-I223 VanDerWaalsContact O-N 3.1Å; K221-I223 VanDerWaalsContact C-N 3.27Å; K221-I223 PolarHBondContact O-N 3.49Å; I223-F225 HydrophobicContact CD1-CB 3.95Å; I223-F225 HydrophobicContact CG1-CB 3.8Å; I223-F225 PolarHBondContact O-N 3.48Å; I223-F225 VanDerWaalsContact O-N 3.12Å
224	N	73.2	Confident	79.9	Confident	84 Å²	84	55 Å²	55	45%	0.449	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	33.6	-177.3	-162.4	24.5	0	0	0	114.3	A220 K221 T226	A220-N224 CarbonylContact O-C 3.6Å; A220-N224 PolarHBondContact O-N 3.34Å; A220-N224 VanDerWaalsContact O-N 3.08Å; K221-N224 PolarHBondContact O-N 3.41Å; N224-T226 PolarHBondContact O-N 3.47Å
225	F	80.4	Confident	79.6	Confident	27 Å²	27	60.1 Å²	60.1	12%	0.118	29%	0.294	C	S	.	.			trans	-76.9	117.8	178	-167.3	-83.7	0	0	0	109.8	S192 V194 V215 A220 I223	S192-F225 VanDerWaalsContact CB-CZ 3.49Å; V194-F225 HydrophobicContact CG1-CD2 4.44Å; V194-F225 HydrophobicContact CG1-CE2 4.01Å; V194-F225 HydrophobicContact CG2-CE2 3.69Å; V194-F225 HydrophobicContact CG2-CZ 4.01Å; V215-F225 HydrophobicContact CG2-CD1 3.85Å; V215-F225 HydrophobicContact CG2-CE1 4.31Å; V215-F225 PolarHBondContact N-O 2.87Å; A220-F225 HydrophobicContact CB-CB 4.2Å; A220-F225 PolarHBondContact O-N 2.95Å; I223-F225 HydrophobicContact CD1-CB 3.95Å; I223-F225 HydrophobicContact CG1-CB 3.8Å; I223-F225 PolarHBondContact O-N 3.48Å; I223-F225 VanDerWaalsContact O-N 3.12Å
226	T	87	Confident	78.6	Confident	10 Å²	10	68.5 Å²	68.5	6%	0.061	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.6	-173.3	53.3	0	0	0	0	111.7	M193 Q212 F213 P214 N224	M193-T226 PolarHBondContact N-O 2.92Å; M193-T226 PolarHBondContact SD-N 3.43Å; M193-T226 PolarHBondContact SD-OG1 3.36Å; Q212-T226 HydrophobicContact CG-CG2 4.18Å; Q212-T226 PolarHBondContact NE2-OG1 3.43Å; F213-T226 CarbonylContact O-C 3.56Å; F213-T226 VanDerWaalsContact O-CA 3.29Å; F213-T226 WeakPolarHBondContact O-CA 3.35Å; F213-T226 WeakPolarHBondContact O-CB 3.48Å; P214-T226 HydrophobicContact CB-CG2 4.49Å; N224-T226 PolarHBondContact O-N 3.47Å
227	L	90.6	Very high	77.6	Confident	45 Å²	45	76 Å²	76	24%	0.236	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	145.9	166.5	-66	176.5	0	0	0	109.4	T191 Q212 F213 V215	T191-L227 CarbonylContact O-C 3.47Å; T191-L227 WeakPolarHBondContact O-CA 3.3Å; Q212-L227 CarbonylContact C-O 3.56Å; Q212-L227 VanDerWaalsContact CA-O 3.26Å; Q212-L227 WeakPolarHBondContact CA-O 3.4Å; F213-L227 HydrophobicContact CD2-CB 4.4Å; F213-L227 HydrophobicContact CE1-CB 4.34Å; F213-L227 HydrophobicContact CE2-CB 3.91Å; F213-L227 HydrophobicContact CE2-CD1 4.01Å; F213-L227 HydrophobicContact CZ-CB 3.87Å; F213-L227 HydrophobicContact CZ-CD1 4.3Å; F213-L227 PolarHBondContact N-O 3.39Å; F213-L227 PolarHBondContact O-N 2.97Å; V215-L227 HydrophobicContact CG2-CD1 3.99Å; V215-L227 HydrophobicContact CG2-CD2 4.38Å; V215-L227 HydrophobicContact CG2-CG 3.7Å
228	I	94.5	Very high	78	Confident	2 Å²	2	74.7 Å²	74.7	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126	177.3	-57.4	170.6	0	0	0	107.5	Y190 T191 M193 Q199 K209 R211 Q212 Y230	Y190-I228 WeakPolarHBondContact CA-O 3.35Å; T191-I228 HydrophobicContact CG2-CB 4.36Å; T191-I228 PolarHBondContact N-O 3.34Å; T191-I228 PolarHBondContact O-N 2.98Å; M193-I228 HydrophobicContact CB-CD1 4.37Å; Q199-I228 HydrophobicContact CG-CD1 4.47Å; K209-I228 HydrophobicContact CD-CG2 3.69Å; K209-I228 HydrophobicContact CG-CG2 3.55Å; R211-I228 WeakPolarHBondContact O-CA 3.34Å; Q212-I228 HydrophobicContact CB-CG1 4.37Å; Q212-I228 HydrophobicContact CG-CG1 3.97Å; I228-Y230 HydrophobicContact CB-CD2 4.4Å; I228-Y230 HydrophobicContact CB-CE2 3.96Å; I228-Y230 HydrophobicContact CG2-CD2 3.77Å; I228-Y230 HydrophobicContact CG2-CE2 3.33Å
229	E	96	Very high	78.9	Confident	20 Å²	20	71 Å²	71	9%	0.093	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.5	170.5	-173.5	179.8	144.8	0	0	109.9	L189 Y190 M210 R211 F213	L189-E229 WeakPolarHBondContact O-CA 3.34Å; Y190-E229 HydrophobicContact CD1-CB 3.96Å; Y190-E229 HydrophobicContact CD1-CG 4.18Å; Y190-E229 HydrophobicContact CE1-CB 3.79Å; Y190-E229 HydrophobicContact CE1-CG 3.7Å; M210-E229 HydrophobicContact CB-CG 4.46Å; M210-E229 PolarHBondContact N-O 3.41Å; R211-E229 HydrophobicContact CG-CB 3.93Å; R211-E229 IonicContact CZ-OE2 3.96Å; R211-E229 IonicContact NE-OE2 3.49Å; R211-E229 PolarHBondContact NE-OE2 3.47Å; R211-E229 IonicContact NH2-OE2 2.89Å; R211-E229 PolarHBondContact NH2-OE2 2.96Å; R211-E229 PolarHBondContact O-N 3.33Å; F213-E229 HydrophobicContact CE1-CB 4.45Å
230	Y	97.4	Very high	79.9	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.8	173.6	-80.9	-88.6	0	0	0	109.9	I188 L189 T191 Q199 E203 K208 K209 I228	I188-Y230 CarbonylContact C-O 3.59Å; I188-Y230 VanDerWaalsContact CA-O 3.27Å; I188-Y230 WeakPolarHBondContact CA-O 3.46Å; L189-Y230 HydrophobicContact CD1-CD2 3.99Å; L189-Y230 HydrophobicContact CD1-CG 4.24Å; L189-Y230 PolarHBondContact N-O 3.3Å; L189-Y230 PolarHBondContact O-N 3Å; T191-Y230 HydrophobicContact CG2-CD2 3.92Å; T191-Y230 HydrophobicContact CG2-CE2 3.68Å; Q199-Y230 HydrophobicContact CG-CE2 4.12Å; E203-Y230 HydrophobicContact CG-CE1 3.79Å; E203-Y230 PolarHBondContact OE1-OH 3.42Å; K208-Y230 CarbonylContact O-C 3.53Å; K208-Y230 VanDerWaalsContact O-CA 3.31Å; K208-Y230 WeakPolarHBondContact O-CA 3.42Å; K209-Y230 HydrophobicContact CB-CD1 4.26Å; K209-Y230 HydrophobicContact CB-CE1 3.78Å; I228-Y230 HydrophobicContact CB-CD2 4.4Å; I228-Y230 HydrophobicContact CB-CE2 3.96Å; I228-Y230 HydrophobicContact CG2-CD2 3.77Å; I228-Y230 HydrophobicContact CG2-CE2 3.33Å
231	R	97.6	Very high	80.8	Confident	70 Å²	70	73.5 Å²	73.5	26%	0.264	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.3	176.4	-172.4	179.8	85	-173.7	9.4	111.3	A186 V187 I188 Y207 K208 M210 D233	A186-R231 HydrophobicContact CB-CG 3.97Å; V187-R231 CarbonylContact O-C 3.12Å; V187-R231 WeakPolarHBondContact O-CA 3.4Å; I188-R231 HydrophobicContact CG2-CB 4.29Å; I188-R231 HydrophobicContact CG2-CG 4.01Å; Y207-R231 CarbonylContact C-O 3.43Å; Y207-R231 WeakPolarHBondContact CA-O 3.3Å; K208-R231 PolarHBondContact N-O 3.28Å; K208-R231 PolarHBondContact O-N 3.09Å; M210-R231 HydrophobicContact CG-CB 3.56Å; M210-R231 HydrophobicContact SD-CB 3.89Å; R231-D233 IonicContact CZ-OD1 3.53Å; R231-D233 IonicContact CZ-OD2 2.76Å; R231-D233 IonicContact NE-OD1 3.24Å; R231-D233 PolarHBondContact NE-OD1 3.14Å; R231-D233 IonicContact NE-OD2 3.07Å; R231-D233 PolarHBondContact NE-OD2 2.65Å; R231-D233 VanDerWaalsContact NH2-CG 3.32Å; R231-D233 IonicContact NH2-OD1 2.97Å; R231-D233 PolarHBondContact NH2-OD1 2.81Å; R231-D233 VanDerWaalsContact NH2-OD1 3.07Å; R231-D233 IonicContact NH2-OD2 3.24Å; R231-D233 PolarHBondContact NH2-OD2 2.83Å
232	L	97.5	Very high	81.7	Confident	25 Å²	25	70.3 Å²	70.3	13%	0.131	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	110.1	167.5	177	69	0	0	0	107.9	A176 A186 V187 Y207 L234	A176-L232 HydrophobicContact CB-CD2 4.1Å; A186-L232 CarbonylContact C-O 3.52Å; A186-L232 WeakPolarHBondContact CA-O 3.25Å; A186-L232 VanDerWaalsContact CB-O 3.29Å; A186-L232 WeakPolarHBondContact CB-O 3.22Å; V187-L232 HydrophobicContact CB-CB 4.44Å; V187-L232 PolarHBondContact N-O 3.26Å; V187-L232 PolarHBondContact O-N 2.82Å; Y207-L232 HydrophobicContact CD1-CB 3.54Å; Y207-L232 HydrophobicContact CD2-CB 4.01Å; Y207-L232 HydrophobicContact CD2-CD2 4.39Å; Y207-L232 HydrophobicContact CE1-CB 3.46Å; Y207-L232 VanDerWaalsContact CE1-CB 3.46Å; Y207-L232 HydrophobicContact CE2-CB 3.97Å; Y207-L232 HydrophobicContact CE2-CD2 3.83Å; Y207-L232 HydrophobicContact CE2-CG 4.42Å; Y207-L232 HydrophobicContact CG-CB 3.81Å; L232-L234 HydrophobicContact CD2-CD2 3.94Å; L232-L234 HydrophobicContact CG-CD2 4.04Å
233	D	96.4	Very high	83	Confident	64 Å²	64	68.9 Å²	68.9	34%	0.342	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	132.7	172.2	-63.5	-51.6	0	0	0	109.2	R231	R231-D233 IonicContact CZ-OD1 3.53Å; R231-D233 IonicContact CZ-OD2 2.76Å; R231-D233 IonicContact NE-OD1 3.24Å; R231-D233 PolarHBondContact NE-OD1 3.14Å; R231-D233 IonicContact NE-OD2 3.07Å; R231-D233 PolarHBondContact NE-OD2 2.65Å; R231-D233 VanDerWaalsContact NH2-CG 3.32Å; R231-D233 IonicContact NH2-OD1 2.97Å; R231-D233 PolarHBondContact NH2-OD1 2.81Å; R231-D233 VanDerWaalsContact NH2-OD1 3.07Å; R231-D233 IonicContact NH2-OD2 3.24Å; R231-D233 PolarHBondContact NH2-OD2 2.83Å
234	L	92.1	Very high	84	Confident	19 Å²	19	71.1 Å²	71.1	10%	0.099	34%	0.339	C	S	.	.			trans	-106.3	102.9	175.9	-56.2	176.6	0	0	0	106.5	A176 T179 R180 S185 V187 L232	A176-L234 HydrophobicContact CB-CD2 4.17Å; A176-L234 WeakPolarHBondContact O-CD1 3.35Å; T179-L234 HydrophobicContact CG2-CD1 3.44Å; T179-L234 VanDerWaalsContact CG2-CD1 3.44Å; R180-L234 HydrophobicContact CB-CD1 4.43Å; S185-L234 PolarHBondContact O-N 3.22Å; V187-L234 HydrophobicContact CG2-CD1 4.23Å; L232-L234 HydrophobicContact CD2-CD2 3.94Å; L232-L234 HydrophobicContact CG-CD2 4.04Å
235	E	75.3	Confident	84.8	Confident	171 Å²	171	70.2 Å²	70.2	80%	0.799	33%	0.331	S	S	*	.			trans	-61.6	138.7	175.1	-66.2	178.1	177.7	0	0	109.6	E237	E235-E237 PolarHBondContact O-N 3.38Å
236	E	55.6	Low	85.2	Confident	196 Å²	196	73.8 Å²	73.8	92%	0.916	35%	0.348	S	S	*	.			trans	-71.1	108.9	163.6	-70.9	179.3	169.4	0	0	106.5
237	E	42	Very low	85	Confident	263 Å²	263	79.5 Å²	79.5	100%	1.229	38%	0.375	S	S	*	.			trans	-65.4	0	166.7	-81	-176.4	164.4	0	0	111.2	E235	E235-E237 PolarHBondContact O-N 3.38Å

Retrieved 237 of 237 residues in 488.4 ms (Link to these results)

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