A0A077ZD91_TRITR Loading...

EB module family protein

AlphaFold DB , UniProt , Accession A0A077ZD91, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 154 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	69.5	Low	73.1	Confident	33 Å²	33	85.1 Å²	85.1	16%	0.163	46%	0.458	C	S	.	.				0	127.3	0	-177	168.3	67.4	0	0	108.2	C8 D19 C21 F143	M1-C8 HydrophobicContact CE-CB 4.31Å; M1-C8 HydrophobicContact CG-CB 3.5Å; M1-C8 VanDerWaalsContact CG-CB 3.5Å; M1-C8 HydrophobicContact SD-CB 3.43Å; M1-C8 WeakPolarHBondContact SD-CB 3.03Å; M1-D19 WeakPolarHBondContact CE-O 3.49Å; M1-C21 VanDerWaalsContact CA-SG 3.53Å; M1-F143 WeakPolarHBondContact O-CE2 3.26Å; M1-F143 WeakPolarHBondContact O-CZ 3.36Å
2	V	68.3	Low	74.3	Confident	49 Å²	49	92.3 Å²	92.3	30%	0.297	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.4	171.1	170.9	0	0	0	0	107.3	I4 C8 D9 H140	V2-I4 HydrophobicContact CG1-CD1 3.94Å; V2-I4 HydrophobicContact CG1-CG1 3.6Å; V2-C8 WeakPolarHBondContact O-CA 3.15Å; V2-D9 PolarHBondContact N-O 3.3Å; V2-D9 VanDerWaalsContact N-O 3.1Å; V2-D9 PolarHBondContact O-N 3.06Å; V2-H140 HydrophobicContact CG2-CB 3.16Å
3	C	69.2	Low	75.3	Confident	66 Å²	66	88.7 Å²	88.7	45%	0.446	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.8	174.7	-55.7	0	0	0	0	108.9	K7 C8	C3-K7 CarbonylContact C-O 3.52Å; C3-K7 WeakPolarHBondContact CA-O 3.41Å; C3-C8 HydrophobicContact CB-CB 4.12Å; C3-C8 WeakPolarHBondContact CB-SG 3.08Å; C3-C8 WeakPolarHBondContact SG-CB 3.31Å; C3-C8 CovalentContact SG-SG 2.04Å; C3-C8 PolarHBondContact SG-SG 3.36Å
4	I	64.5	Low	76	Confident	106 Å²	106	83.1 Å²	83.1	54%	0.544	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.2	172.5	-51.7	-177.9	0	0	0	106.5	V2 G6 K7	V2-I4 HydrophobicContact CG1-CD1 3.94Å; V2-I4 HydrophobicContact CG1-CG1 3.6Å; I4-G6 VanDerWaalsContact C-N 3.32Å; I4-G6 PolarHBondContact O-N 3.1Å; I4-K7 PolarHBondContact N-O 2.89Å; I4-K7 PolarHBondContact O-N 2.95Å
5	Y	70	Confident	76.6	Confident	230 Å²	230	87 Å²	87	90%	0.902	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	43.9	-176.8	-55.2	-65.4	0	0	0	114.1	K7	Y5-K7 PolarHBondContact O-N 3.18Å; Y5-K7 VanDerWaalsContact O-N 3.14Å
6	G	68.8	Low	77.2	Confident	75 Å²	75	90.9 Å²	90.9	77%	0.773	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	-3.3	-179.5	0	0	0	0	0	114.9	I4	I4-G6 VanDerWaalsContact C-N 3.32Å; I4-G6 PolarHBondContact O-N 3.1Å
7	K	71.6	Confident	77.6	Confident	177 Å²	177	89.4 Å²	89.4	77%	0.77	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	109.8	170.9	-65.1	-172.6	-179.2	-178.2	0	109	C3 I4 Y5	C3-K7 CarbonylContact C-O 3.52Å; C3-K7 WeakPolarHBondContact CA-O 3.41Å; I4-K7 PolarHBondContact N-O 2.89Å; I4-K7 PolarHBondContact O-N 2.95Å; Y5-K7 PolarHBondContact O-N 3.18Å; Y5-K7 VanDerWaalsContact O-N 3.14Å
8	C	75.5	Confident	77.8	Confident	42 Å²	42	93.2 Å²	93.2	28%	0.284	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.9	178.5	-59.2	0	0	0	0	109.7	M1 V2 C3	M1-C8 HydrophobicContact CE-CB 4.31Å; M1-C8 HydrophobicContact CG-CB 3.5Å; M1-C8 VanDerWaalsContact CG-CB 3.5Å; M1-C8 HydrophobicContact SD-CB 3.43Å; M1-C8 WeakPolarHBondContact SD-CB 3.03Å; V2-C8 WeakPolarHBondContact O-CA 3.15Å; C3-C8 HydrophobicContact CB-CB 4.12Å; C3-C8 WeakPolarHBondContact CB-SG 3.08Å; C3-C8 WeakPolarHBondContact SG-CB 3.31Å; C3-C8 CovalentContact SG-SG 2.04Å; C3-C8 PolarHBondContact SG-SG 3.36Å
9	D	80.6	Confident	77.9	Confident	119 Å²	119	93.3 Å²	93.3	64%	0.636	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	154.2	177.4	-152.9	2.6	0	0	0	112.2	V2	V2-D9 PolarHBondContact N-O 3.3Å; V2-D9 VanDerWaalsContact N-O 3.1Å; V2-D9 PolarHBondContact O-N 3.06Å
10	C	84.3	Confident	77.9	Confident	14 Å²	14	92.8 Å²	92.8	10%	0.095	46%	0.457	C	S	.	.			trans	-95	151.5	171.1	-67.4	0	0	0	0	108.8	T14 C21	C10-T14 VanDerWaalsContact CB-OG1 3.31Å; C10-T14 WeakPolarHBondContact CB-OG1 3.43Å; C10-C21 WeakPolarHBondContact CA-SG 3.11Å; C10-C21 HydrophobicContact CB-CB 3.8Å; C10-C21 WeakPolarHBondContact CB-SG 3.48Å; C10-C21 WeakPolarHBondContact SG-CA 3.48Å; C10-C21 WeakPolarHBondContact SG-CB 2.89Å; C10-C21 CovalentContact SG-SG 2.04Å; C10-C21 PolarHBondContact SG-SG 3.07Å
11	N	81.3	Confident	78.2	Confident	25 Å²	25	88.4 Å²	88.4	13%	0.134	44%	0.436	C	S	.	.			trans	-70.5	161.4	173.4	73.6	56.6	0	0	0	109.4	Y13 T14 R137 H140	N11-Y13 PolarHBondContact O-N 2.9Å; N11-Y13 WeakPolarHBondContact OD1-CA 3.07Å; N11-Y13 WeakPolarHBondContact OD1-CB 3.33Å; N11-Y13 PolarHBondContact OD1-N 3.39Å; N11-T14 PolarHBondContact N-OG1 2.04Å; N11-T14 PolarHBondContact O-N 3.33Å; N11-T14 PolarHBondContact O-OG1 3.14Å; N11-T14 PolarHBondContact OD1-N 2.79Å; N11-T14 PolarHBondContact OD1-OG1 3.46Å; N11-R137 PolarHBondContact ND2-O 2.55Å; N11-H140 PolarHBondContact N-NE2 2.9Å
12	K	88.1	Confident	78.7	Confident	172 Å²	172	88.4 Å²	88.4	75%	0.748	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-7.2	-175.9	71.6	-175.4	-174.7	-176.3	0	116.3
13	Y	87.5	Confident	79.6	Confident	45 Å²	45	86.3 Å²	86.3	18%	0.176	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	7.3	177.9	-49.1	-70.8	0	0	0	112.7	N11 T24 V100 P136	N11-Y13 PolarHBondContact O-N 2.9Å; N11-Y13 WeakPolarHBondContact OD1-CA 3.07Å; N11-Y13 WeakPolarHBondContact OD1-CB 3.33Å; N11-Y13 PolarHBondContact OD1-N 3.39Å; Y13-T24 PolarHBondContact O-N 2.9Å; Y13-T24 PolarHBondContact O-OG1 3.05Å; Y13-V100 VanDerWaalsContact CB-CG1 3.46Å; Y13-V100 HydrophobicContact CG-CG1 4.38Å; Y13-P136 HydrophobicContact CD2-CB 3.45Å; Y13-P136 VanDerWaalsContact CD2-CB 3.45Å; Y13-P136 HydrophobicContact CD2-CG 3.67Å; Y13-P136 HydrophobicContact CE2-CB 3.47Å; Y13-P136 VanDerWaalsContact CE2-CB 3.47Å; Y13-P136 HydrophobicContact CE2-CG 3.19Å; Y13-P136 HydrophobicContact CG-CB 4.48Å
14	T	84.7	Confident	80.3	Confident	11 Å²	11	86.9 Å²	86.9	7%	0.067	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.1	177.2	53.5	0	0	0	0	108.3	C10 N11 C21 D22 P23 A138	C10-T14 VanDerWaalsContact CB-OG1 3.31Å; C10-T14 WeakPolarHBondContact CB-OG1 3.43Å; N11-T14 PolarHBondContact N-OG1 2.04Å; N11-T14 PolarHBondContact O-N 3.33Å; N11-T14 PolarHBondContact O-OG1 3.14Å; N11-T14 PolarHBondContact OD1-N 2.79Å; N11-T14 PolarHBondContact OD1-OG1 3.46Å; T14-C21 HydrophobicContact CG2-CB 4.43Å; T14-D22 CarbonylContact C-O 3.43Å; T14-D22 WeakPolarHBondContact CA-O 3.28Å; T14-D22 WeakPolarHBondContact CB-O 3.39Å; T14-P23 HydrophobicContact CG2-CG 4.23Å; T14-A138 VanDerWaalsContact CG2-O 3.22Å; T14-A138 WeakPolarHBondContact CG2-O 2.77Å
15	R	85.7	Confident	81.3	Confident	141 Å²	141	86.6 Å²	86.6	53%	0.532	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	148.9	174.2	59.8	178.7	178.2	-160.4	-3.7	109.4	V17 C21 D22 T24	R15-V17 HydrophobicContact CG-CG2 4.03Å; R15-V17 PolarHBondContact O-N 3.09Å; R15-C21 WeakPolarHBondContact O-CA 3.22Å; R15-D22 HydrophobicContact CG-CB 4.44Å; R15-D22 IonicContact CZ-OD2 3.91Å; R15-D22 PolarHBondContact N-O 2.93Å; R15-D22 IonicContact NE-OD2 3.62Å; R15-D22 IonicContact NH2-OD2 3.26Å; R15-D22 PolarHBondContact NH2-OD2 2.85Å; R15-D22 PolarHBondContact O-N 2.88Å; R15-T24 HydrophobicContact CB-CG2 3.98Å; R15-T24 HydrophobicContact CG-CG2 4.14Å
16	R	85.6	Confident	82.2	Confident	150 Å²	150	77.1 Å²	77.1	57%	0.566	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	121.6	171.5	-172.9	174.6	-179.8	178.7	1.6	109	E18 D19 F20	R16-E18 VanDerWaalsContact CG-O 3.3Å; R16-E18 WeakPolarHBondContact CG-O 3.26Å; R16-E18 PolarHBondContact NE-O 2.98Å; R16-D19 IonicContact NH2-OD1 3.94Å; R16-D19 PolarHBondContact NH2-OD1 3.06Å; R16-F20 WeakPolarHBondContact CA-O 3.39Å
17	V	83.2	Confident	83.3	Confident	65 Å²	65	76.6 Å²	76.6	39%	0.394	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	109.9	168.8	-176.7	0	0	0	0	105.8	R15 D19 F20 D22	R15-V17 HydrophobicContact CG-CG2 4.03Å; R15-V17 PolarHBondContact O-N 3.09Å; V17-D19 PolarHBondContact O-N 2.78Å; V17-D19 VanDerWaalsContact O-N 3.1Å; V17-F20 PolarHBondContact N-O 2.64Å; V17-F20 PolarHBondContact O-N 2.98Å; V17-D22 HydrophobicContact CB-CB 4.48Å; V17-D22 HydrophobicContact CG2-CB 3.82Å
18	E	82.6	Confident	84.1	Confident	158 Å²	158	68.7 Å²	68.7	74%	0.738	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	-112.8	-170.1	-56.8	178.9	161.3	0	0	111	R16	R16-E18 VanDerWaalsContact CG-O 3.3Å; R16-E18 WeakPolarHBondContact CG-O 3.26Å; R16-E18 PolarHBondContact NE-O 2.98Å
19	D	78.5	Confident	84.6	Confident	95 Å²	95	67.4 Å²	67.4	51%	0.508	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	18.2	179.4	-67.1	-40.6	0	0	0	113.6	M1 R16 V17	M1-D19 WeakPolarHBondContact CE-O 3.49Å; R16-D19 IonicContact NH2-OD1 3.94Å; R16-D19 PolarHBondContact NH2-OD1 3.06Å; V17-D19 PolarHBondContact O-N 2.78Å; V17-D19 VanDerWaalsContact O-N 3.1Å
20	F	79.3	Confident	84.8	Confident	82 Å²	82	67.2 Å²	67.2	36%	0.36	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	159.3	-178	-55.2	-74.6	0	0	0	112.6	R16 V17 S149	R16-F20 WeakPolarHBondContact CA-O 3.39Å; V17-F20 PolarHBondContact N-O 2.64Å; V17-F20 PolarHBondContact O-N 2.98Å; F20-S149 VanDerWaalsContact CD1-CB 3.47Å; F20-S149 VanDerWaalsContact CG-CB 3.45Å
21	C	82.8	Confident	84.8	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.014	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	108.8	170.8	-61.3	0	0	0	0	109	M1 C10 T14 R15 C150	M1-C21 VanDerWaalsContact CA-SG 3.53Å; C10-C21 WeakPolarHBondContact CA-SG 3.11Å; C10-C21 HydrophobicContact CB-CB 3.8Å; C10-C21 WeakPolarHBondContact CB-SG 3.48Å; C10-C21 WeakPolarHBondContact SG-CA 3.48Å; C10-C21 WeakPolarHBondContact SG-CB 2.89Å; C10-C21 CovalentContact SG-SG 2.04Å; C10-C21 PolarHBondContact SG-SG 3.07Å; T14-C21 HydrophobicContact CG2-CB 4.43Å; R15-C21 WeakPolarHBondContact O-CA 3.22Å; C21-C150 PolarHBondContact O-SG 3.21Å
22	D	81.4	Confident	85	Confident	33 Å²	33	74 Å²	74	18%	0.176	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.8	179.1	-179.7	30.2	0	0	0	109.4	T14 R15 V17 T24	T14-D22 CarbonylContact C-O 3.43Å; T14-D22 WeakPolarHBondContact CA-O 3.28Å; T14-D22 WeakPolarHBondContact CB-O 3.39Å; R15-D22 HydrophobicContact CG-CB 4.44Å; R15-D22 IonicContact CZ-OD2 3.91Å; R15-D22 PolarHBondContact N-O 2.93Å; R15-D22 IonicContact NE-OD2 3.62Å; R15-D22 IonicContact NH2-OD2 3.26Å; R15-D22 PolarHBondContact NH2-OD2 2.85Å; R15-D22 PolarHBondContact O-N 2.88Å; V17-D22 HydrophobicContact CB-CB 4.48Å; V17-D22 HydrophobicContact CG2-CB 3.82Å; D22-T24 PolarHBondContact O-N 3.48Å
23	P	85.7	Confident	85	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.032	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	132	173.6	-32.3	42.6	0	0	0	112.5	T14 D25 W26 V100 A138 F145	T14-P23 HydrophobicContact CG2-CG 4.23Å; P23-D25 VanDerWaalsContact C-N 3.34Å; P23-W26 HydrophobicContact CB-CD2 4.28Å; P23-W26 HydrophobicContact CB-CE3 4.5Å; P23-W26 HydrophobicContact CB-CH2 3.91Å; P23-W26 HydrophobicContact CB-CZ2 3.6Å; P23-W26 HydrophobicContact CB-CZ3 4.33Å; P23-W26 HydrophobicContact CG-CH2 3.48Å; P23-W26 VanDerWaalsContact CG-CH2 3.48Å; P23-W26 HydrophobicContact CG-CZ2 3.4Å; P23-W26 HydrophobicContact CG-CZ3 4.25Å; P23-V100 HydrophobicContact CB-CG1 4.49Å; P23-V100 HydrophobicContact CB-CG2 4.03Å; P23-V100 HydrophobicContact CG-CG2 4.29Å; P23-A138 HydrophobicContact CG-CB 4.11Å; P23-F145 HydrophobicContact CG-CD2 4.34Å; P23-F145 HydrophobicContact CG-CE2 3.91Å; P23-F145 HydrophobicContact CG-CZ 4.13Å
24	T	84	Confident	84.9	Confident	77 Å²	77	66.4 Å²	66.4	47%	0.472	33%	0.328	S	S	.	.	S	Bend	trans	-74.7	-28.1	-177.4	54.9	0	0	0	0	112.9	Y13 R15 D22	Y13-T24 PolarHBondContact O-N 2.9Å; Y13-T24 PolarHBondContact O-OG1 3.05Å; R15-T24 HydrophobicContact CB-CG2 3.98Å; R15-T24 HydrophobicContact CG-CG2 4.14Å; D22-T24 PolarHBondContact O-N 3.48Å
25	D	87.2	Confident	84.8	Confident	101 Å²	101	72 Å²	72	54%	0.54	35%	0.352	S	S	.	.			trans	-156.5	137.4	-176.5	-174.8	37.7	0	0	0	110.2	P23	P23-D25 VanDerWaalsContact C-N 3.34Å
26	W	88.4	Confident	84.2	Confident	30 Å²	30	68 Å²	68	11%	0.114	34%	0.341	C	S	.	.			trans	-107.5	140.9	178	-69.5	115.1	0	0	0	110.4	P23 I33 I64 I79 V100 A138 F145	P23-W26 HydrophobicContact CB-CD2 4.28Å; P23-W26 HydrophobicContact CB-CE3 4.5Å; P23-W26 HydrophobicContact CB-CH2 3.91Å; P23-W26 HydrophobicContact CB-CZ2 3.6Å; P23-W26 HydrophobicContact CB-CZ3 4.33Å; P23-W26 HydrophobicContact CG-CH2 3.48Å; P23-W26 VanDerWaalsContact CG-CH2 3.48Å; P23-W26 HydrophobicContact CG-CZ2 3.4Å; P23-W26 HydrophobicContact CG-CZ3 4.25Å; W26-I33 HydrophobicContact CB-CD1 3.7Å; W26-I33 HydrophobicContact CG-CD1 3.84Å; W26-I64 HydrophobicContact CE3-CG2 4.24Å; W26-I64 HydrophobicContact CH2-CB 4.38Å; W26-I64 HydrophobicContact CH2-CD1 3.66Å; W26-I64 HydrophobicContact CH2-CG2 4.18Å; W26-I64 HydrophobicContact CZ3-CB 3.98Å; W26-I64 HydrophobicContact CZ3-CD1 4.1Å; W26-I64 HydrophobicContact CZ3-CG2 3.51Å; W26-I79 HydrophobicContact CB-CD1 4.09Å; W26-I79 HydrophobicContact CD2-CD1 4.47Å; W26-I79 HydrophobicContact CD2-CG2 3.71Å; W26-I79 HydrophobicContact CE3-CD1 4.04Å; W26-I79 HydrophobicContact CE3-CG2 3.72Å; W26-I79 HydrophobicContact CG-CG2 4.16Å; W26-I79 HydrophobicContact CH2-CG2 4.35Å; W26-I79 HydrophobicContact CZ2-CG2 4.36Å; W26-I79 HydrophobicContact CZ3-CG2 4.05Å; W26-V100 HydrophobicContact CE3-CG2 3.57Å; W26-V100 HydrophobicContact CH2-CG2 4.05Å; W26-V100 HydrophobicContact CZ3-CG2 3.26Å; W26-A138 HydrophobicContact CH2-CB 4.24Å; W26-F145 AromaticContact CH2-CD1 3.92Å; W26-F145 HydrophobicContact CH2-CD1 3.92Å; W26-F145 AromaticContact CH2-CE1 3.61Å; W26-F145 HydrophobicContact CH2-CE1 3.61Å; W26-F145 HydrophobicContact CH2-CG 4.48Å; W26-F145 HydrophobicContact CH2-CZ 4.07Å; W26-F145 HydrophobicContact CZ2-CD1 4.08Å; W26-F145 AromaticContact CZ2-CE1 3.3Å; W26-F145 HydrophobicContact CZ2-CE1 3.3Å; W26-F145 HydrophobicContact CZ2-CE2 4.37Å; W26-F145 AromaticContact CZ2-CZ 3.5Å; W26-F145 HydrophobicContact CZ2-CZ 3.5Å; W26-F145 VanDerWaalsContact CZ2-CZ 3.5Å
27	R	90.6	Very high	83.8	Confident	64 Å²	64	66.5 Å²	66.5	24%	0.242	36%	0.361	C	S	.	.			trans	-132.9	132.5	-177.3	-57.2	-176.8	-49.6	158.6	22.3	112.3	V97 C98 P99 G101	R27-V97 HydrophobicContact CB-CG1 3.85Å; R27-C98 PolarHBondContact NE-O 3.43Å; R27-C98 PolarHBondContact NH2-O 3.33Å; R27-P99 PolarHBondContact N-O 3Å; R27-G101 PolarHBondContact NE-O 3.14Å; R27-G101 PolarHBondContact NH1-O 3.25Å; R27-G101 PolarHBondContact NH2-O 2.83Å
28	C	89.2	Confident	83.6	Confident	12 Å²	12	69.6 Å²	69.6	8%	0.081	38%	0.375	C	S	.	.			trans	-99.2	155.7	172.3	-68.5	0	0	0	0	111.2	H30 C81	C28-H30 WeakPolarHBondContact CB-O 3.46Å; C28-H30 PolarHBondContact O-N 2.9Å; C28-C81 WeakPolarHBondContact CA-SG 2.94Å; C28-C81 HydrophobicContact CB-CB 3.65Å; C28-C81 WeakPolarHBondContact CB-SG 3.48Å; C28-C81 WeakPolarHBondContact SG-CA 2.99Å; C28-C81 WeakPolarHBondContact SG-CB 3.3Å; C28-C81 CovalentContact SG-SG 2.04Å; C28-C81 PolarHBondContact SG-SG 3.37Å
29	P	86	Confident	82.9	Confident	14 Å²	14	64.1 Å²	64.1	9%	0.091	36%	0.36	C	S	.	.	S	Bend	trans	-60	-24.8	173.4	-27.6	38.5	0	0	0	113.5	Y60 L127	P29-Y60 WeakPolarHBondContact CG-OH 2.99Å; P29-L127 HydrophobicContact CB-CD1 4.07Å; P29-L127 HydrophobicContact CG-CD1 4.26Å
30	H	84.7	Confident	82.4	Confident	115 Å²	115	61.8 Å²	61.8	53%	0.532	35%	0.352	S	S	.	.	S	Bend	trans	-149.8	145.6	172.9	178.5	84.4	0	0	0	110.2	C28 P82	C28-H30 WeakPolarHBondContact CB-O 3.46Å; C28-H30 PolarHBondContact O-N 2.9Å; H30-P82 WeakPolarHBondContact O-CD 3.37Å
31	G	84.5	Confident	81.9	Confident	43 Å²	43	59.4 Å²	59.4	44%	0.443	35%	0.345	S	S	.	.	S	Bend	trans	63.8	-172.7	178.5	0	0	0	0	0	112.9
32	D	85.6	Confident	81.4	Confident	140 Å²	140	60.6 Å²	60.6	75%	0.749	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-89.3	154.1	176	-59.8	-46.8	0	0	0	110.5	P82	D32-P82 VanDerWaalsContact O-CD 3.26Å; D32-P82 WeakPolarHBondContact O-CD 3.06Å; D32-P82 WeakPolarHBondContact O-CG 3Å
33	I	87.5	Confident	81.4	Confident	18 Å²	18	60.5 Å²	60.5	9%	0.092	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-52.7	143	169.1	-171.6	172.4	0	0	0	110	W26 K35 I79	W26-I33 HydrophobicContact CB-CD1 3.7Å; W26-I33 HydrophobicContact CG-CD1 3.84Å; I33-K35 PolarHBondContact O-N 2.97Å; I33-I79 HydrophobicContact CD1-CB 3.5Å; I33-I79 HydrophobicContact CD1-CD1 4.07Å; I33-I79 HydrophobicContact CD1-CG1 4.36Å; I33-I79 HydrophobicContact CD1-CG2 3.51Å; I33-I79 HydrophobicContact CG1-CB 4.1Å
34	Y	85	Confident	81.3	Confident	39 Å²	39	60.4 Å²	60.4	15%	0.153	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-57.9	136.1	170.1	-176.3	-83.4	0	0	0	109.7	E42 D56 Y59 C80	Y34-E42 HydrophobicContact CD1-CB 3.22Å; Y34-E42 HydrophobicContact CD1-CG 4.15Å; Y34-E42 WeakPolarHBondContact CD1-OE2 3.06Å; Y34-E42 HydrophobicContact CE1-CB 3.76Å; Y34-E42 HydrophobicContact CE1-CG 4.35Å; Y34-E42 VanDerWaalsContact CE1-OE2 3.26Å; Y34-E42 WeakPolarHBondContact CE1-OE2 3.34Å; Y34-E42 HydrophobicContact CG-CB 4.13Å; Y34-E42 PolarHBondContact O-N 3.25Å; Y34-E42 VanDerWaalsContact O-N 3.07Å; Y34-D56 HydrophobicContact CD2-CB 4.4Å; Y34-D56 HydrophobicContact CE2-CB 3.81Å; Y34-D56 WeakPolarHBondContact CE2-OD2 3.39Å; Y34-D56 PolarHBondContact OH-OD2 3.41Å; Y34-Y59 HydrophobicContact CD2-CD1 4.09Å; Y34-Y59 AromaticContact CD2-CD2 3.76Å; Y34-Y59 HydrophobicContact CD2-CD2 3.76Å; Y34-Y59 AromaticContact CD2-CE1 3.84Å; Y34-Y59 HydrophobicContact CD2-CE1 3.84Å; Y34-Y59 AromaticContact CD2-CE2 3.54Å; Y34-Y59 HydrophobicContact CD2-CE2 3.54Å; Y34-Y59 HydrophobicContact CD2-CG 4.05Å; Y34-Y59 AromaticContact CD2-CZ 3.57Å; Y34-Y59 HydrophobicContact CE2-CD2 4.42Å; Y34-Y59 HydrophobicContact CE2-CE2 4.18Å; Y34-Y59 HydrophobicContact CG-CD1 4.31Å; Y34-Y59 HydrophobicContact CG-CE1 4.2Å; Y34-C80 PolarHBondContact N-O 2.81Å
35	K	83.1	Confident	81.1	Confident	128 Å²	128	63.7 Å²	63.7	56%	0.557	35%	0.353	S	S	*	.	B	Isolated β-bridge	trans	-119.2	133.8	169.3	-65.4	-177.4	177.9	-173.2	0	109.3	I33 S40	I33-K35 PolarHBondContact O-N 2.97Å; K35-S40 CarbonylContact C-O 3.6Å; K35-S40 WeakPolarHBondContact CA-O 3.26Å; K35-S40 WeakPolarHBondContact CB-O 3.45Å
36	D	73.5	Confident	80.6	Confident	58 Å²	58	58.9 Å²	58.9	31%	0.31	33%	0.327	S	S	.	.			trans	-59.1	166.6	169.4	-75.3	-58.6	0	0	0	110.7	D38 G39 S40	D36-D38 WeakPolarHBondContact CB-OD1 2.97Å; D36-D38 PolarHBondContact O-N 2.69Å; D36-D38 VanDerWaalsContact O-N 3.07Å; D36-G39 WeakPolarHBondContact O-CA 3.29Å; D36-G39 PolarHBondContact O-N 2.88Å; D36-S40 PolarHBondContact N-O 2.83Å; D36-S40 PolarHBondContact OD2-OG 3.49Å
37	A	76.7	Confident	80	Confident	118 Å²	118	59 Å²	59	98%	0.975	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.1	-179	0	0	0	0	0	113.5	G39	A37-G39 VanDerWaalsContact C-N 3.3Å
38	D	78.6	Confident	79	Confident	130 Å²	130	57 Å²	57	70%	0.695	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.4	174.7	70.1	-3.4	0	0	0	113.7	D36 S40	D36-D38 WeakPolarHBondContact CB-OD1 2.97Å; D36-D38 PolarHBondContact O-N 2.69Å; D36-D38 VanDerWaalsContact O-N 3.07Å; D38-S40 VanDerWaalsContact C-N 3.34Å; D38-S40 WeakPolarHBondContact OD1-CB 3.38Å; D38-S40 PolarHBondContact OD1-N 2.89Å; D38-S40 PolarHBondContact OD1-OG 2.81Å; D38-S40 PolarHBondContact OD2-OG 2.03Å
39	G	69.5	Low	78.1	Confident	42 Å²	42	64.6 Å²	64.6	43%	0.433	36%	0.356	S	S	.	.	S	Bend	trans	84.3	0.7	-178.5	0	0	0	0	0	114.7	D36 A37	D36-G39 WeakPolarHBondContact O-CA 3.29Å; D36-G39 PolarHBondContact O-N 2.88Å; A37-G39 VanDerWaalsContact C-N 3.3Å
40	S	67.1	Low	77.4	Confident	46 Å²	46	66.6 Å²	66.6	32%	0.322	37%	0.37	S	S	.	.			trans	-70	150	172.8	68.9	0	0	0	0	110.5	K35 D36 D38	K35-S40 CarbonylContact C-O 3.6Å; K35-S40 WeakPolarHBondContact CA-O 3.26Å; K35-S40 WeakPolarHBondContact CB-O 3.45Å; D36-S40 PolarHBondContact N-O 2.83Å; D36-S40 PolarHBondContact OD2-OG 3.49Å; D38-S40 VanDerWaalsContact C-N 3.34Å; D38-S40 WeakPolarHBondContact OD1-CB 3.38Å; D38-S40 PolarHBondContact OD1-N 2.89Å; D38-S40 PolarHBondContact OD1-OG 2.81Å; D38-S40 PolarHBondContact OD2-OG 2.03Å
41	S	68.7	Low	76.6	Confident	33 Å²	33	66.9 Å²	66.9	23%	0.231	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-76.5	130.4	178.6	-62.7	0	0	0	0	109.7	L43	S41-L43 WeakPolarHBondContact O-CG 3.3Å; S41-L43 PolarHBondContact O-N 3.1Å
42	E	71.6	Confident	76	Confident	27 Å²	27	70.4 Å²	70.4	13%	0.126	38%	0.376	C	S	.	.			trans	-77.5	114.8	176.4	-172.3	-175.9	-161.9	0	0	109.3	Y34 C80	Y34-E42 HydrophobicContact CD1-CB 3.22Å; Y34-E42 HydrophobicContact CD1-CG 4.15Å; Y34-E42 WeakPolarHBondContact CD1-OE2 3.06Å; Y34-E42 HydrophobicContact CE1-CB 3.76Å; Y34-E42 HydrophobicContact CE1-CG 4.35Å; Y34-E42 VanDerWaalsContact CE1-OE2 3.26Å; Y34-E42 WeakPolarHBondContact CE1-OE2 3.34Å; Y34-E42 HydrophobicContact CG-CB 4.13Å; Y34-E42 PolarHBondContact O-N 3.25Å; Y34-E42 VanDerWaalsContact O-N 3.07Å; E42-C80 HydrophobicContact CB-CB 4.27Å; E42-C80 HydrophobicContact CG-CB 4.48Å; E42-C80 PolarHBondContact O-N 3.37Å
43	L	81.9	Confident	75.4	Confident	31 Å²	31	65.3 Å²	65.3	16%	0.162	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.6	-178.7	-59.4	145.1	0	0	0	107.2	S41 I79 F145 G147 F148	S41-L43 WeakPolarHBondContact O-CG 3.3Å; S41-L43 PolarHBondContact O-N 3.1Å; L43-I79 HydrophobicContact CD2-CG2 4.11Å; L43-F145 HydrophobicContact CD2-CE1 3.97Å; L43-G147 VanDerWaalsContact CD1-CA 3.45Å; L43-G147 WeakPolarHBondContact CD1-O 3.41Å; L43-G147 WeakPolarHBondContact CD2-O 3.05Å; L43-G147 WeakPolarHBondContact CG-O 3.4Å; L43-F148 HydrophobicContact CD1-CD1 4.07Å; L43-F148 HydrophobicContact CD1-CD2 4.37Å; L43-F148 HydrophobicContact CD1-CE1 3.72Å; L43-F148 HydrophobicContact CD1-CE2 4.05Å; L43-F148 HydrophobicContact CD1-CG 4.38Å; L43-F148 HydrophobicContact CD1-CZ 3.71Å
44	C	84.1	Confident	75.1	Confident	3 Å²	3	69.6 Å²	69.6	2%	0.02	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	153.9	-172.8	56.6	0	0	0	0	112.4	I54 C55 C61 N77 G78 I79 C80	C44-I54 HydrophobicContact CB-CG1 3.97Å; C44-C55 WeakPolarHBondContact CB-SG 3.35Å; C44-C61 HydrophobicContact CB-CB 3.66Å; C44-C61 WeakPolarHBondContact CB-SG 2.89Å; C44-C61 WeakPolarHBondContact SG-CA 3.16Å; C44-C61 WeakPolarHBondContact SG-CB 3.01Å; C44-C61 CovalentContact SG-SG 2.02Å; C44-C61 PolarHBondContact SG-SG 2.75Å; C44-N77 CarbonylContact O-C 3.41Å; C44-N77 WeakPolarHBondContact O-CA 3.49Å; C44-G78 PolarHBondContact N-O 2.83Å; C44-G78 PolarHBondContact O-N 2.02Å; C44-G78 VanDerWaalsContact SG-CA 3.57Å; C44-G78 PolarHBondContact SG-O 3.31Å; C44-I79 PolarHBondContact SG-N 3.05Å; C44-I79 VanDerWaalsContact SG-N 3.4Å; C44-C80 VanDerWaalsContact CB-SG 3.59Å
45	R	79.9	Confident	75.1	Confident	145 Å²	145	68.6 Å²	68.6	55%	0.547	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.4	156.2	-71.3	-178	-169.7	158.3	10.2	108.4	I54 T75 V76 N77	R45-I54 PolarHBondContact O-N 2.81Å; R45-T75 HydrophobicContact CB-CG2 4.08Å; R45-T75 HydrophobicContact CG-CG2 4.42Å; R45-V76 CarbonylContact C-O 3.53Å; R45-V76 VanDerWaalsContact CA-O 3.25Å; R45-V76 WeakPolarHBondContact CA-O 2.86Å; R45-N77 VanDerWaalsContact CG-OD1 3.26Å; R45-N77 WeakPolarHBondContact CG-OD1 3.38Å; R45-N77 PolarHBondContact NE-OD1 3.32Å
46	S	76.1	Confident	75.1	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.7	174.2	-178.8	0	0	0	0	110.8	L48 N52 C61 T75 V76	S46-L48 PolarHBondContact O-N 3.11Å; S46-N52 WeakPolarHBondContact CA-O 3.09Å; S46-C61 VanDerWaalsContact CB-CB 3.47Å; S46-T75 CarbonylContact O-C 3.59Å; S46-T75 VanDerWaalsContact O-CA 3.28Å; S46-T75 WeakPolarHBondContact O-CA 3.45Å; S46-V76 PolarHBondContact N-O 3.44Å; S46-V76 PolarHBondContact O-N 2.83Å
47	N	75.4	Confident	75.5	Confident	32 Å²	32	69.5 Å²	69.5	17%	0.171	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	104.9	163.9	-176.7	-22.5	0	0	0	108	K49 S50 Y51 N52 N73 I74	N47-K49 PolarHBondContact O-N 3.37Å; N47-K49 VanDerWaalsContact OD1-CB 3.26Å; N47-K49 WeakPolarHBondContact OD1-CB 3.37Å; N47-K49 PolarHBondContact OD1-N 2.95Å; N47-S50 WeakPolarHBondContact CB-OG 3.44Å; N47-S50 PolarHBondContact O-N 2.04Å; N47-S50 VanDerWaalsContact O-N 3.1Å; N47-S50 PolarHBondContact O-OG 2.93Å; N47-Y51 WeakPolarHBondContact O-CA 3.25Å; N47-Y51 PolarHBondContact O-N 2.85Å; N47-N52 PolarHBondContact N-O 2.95Å; N47-N52 VanDerWaalsContact N-O 3.09Å; N47-N73 PolarHBondContact ND2-OD1 3.4Å; N47-N73 VanDerWaalsContact ND2-OD1 3.1Å; N47-I74 WeakPolarHBondContact CA-O 3.4Å
48	L	70.8	Confident	75.9	Confident	24 Å²	24	65.5 Å²	65.5	13%	0.126	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.7	-176.9	-61	-171.3	0	0	0	113.5	S46 V67 I74 V76 P125	S46-L48 PolarHBondContact O-N 3.11Å; L48-V67 HydrophobicContact CD1-CB 4.38Å; L48-V67 HydrophobicContact CD1-CG1 3.46Å; L48-V67 VanDerWaalsContact CD1-CG1 3.46Å; L48-V67 HydrophobicContact CD1-CG2 3.95Å; L48-I74 HydrophobicContact CB-CB 4.27Å; L48-I74 HydrophobicContact CB-CG2 4.15Å; L48-I74 HydrophobicContact CD1-CG2 3.89Å; L48-I74 HydrophobicContact CG-CG2 4.12Å; L48-I74 PolarHBondContact N-O 3.12Å; L48-V76 HydrophobicContact CD1-CG1 3.84Å; L48-V76 HydrophobicContact CD1-CG2 4.43Å; L48-V76 HydrophobicContact CD2-CG2 3.84Å; L48-V76 HydrophobicContact CG-CG1 4.08Å; L48-V76 HydrophobicContact CG-CG2 4.04Å; L48-P125 HydrophobicContact CD1-CG 4.49Å; L48-P125 HydrophobicContact CD2-CB 4.2Å; L48-P125 HydrophobicContact CD2-CG 3.74Å
49	K	69.6	Low	76.3	Confident	170 Å²	170	62.4 Å²	62.4	74%	0.739	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-41.2	173.9	-172.3	-179.6	178.2	-176.5	0	111.8	N47	N47-K49 PolarHBondContact O-N 3.37Å; N47-K49 VanDerWaalsContact OD1-CB 3.26Å; N47-K49 WeakPolarHBondContact OD1-CB 3.37Å; N47-K49 PolarHBondContact OD1-N 2.95Å
50	S	71.7	Confident	77.1	Confident	56 Å²	56	60.5 Å²	60.5	39%	0.392	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-9.7	179.9	61.9	0	0	0	0	112.9	N47 N52	N47-S50 WeakPolarHBondContact CB-OG 3.44Å; N47-S50 PolarHBondContact O-N 2.04Å; N47-S50 VanDerWaalsContact O-N 3.1Å; N47-S50 PolarHBondContact O-OG 2.93Å; S50-N52 PolarHBondContact O-N 3.49Å; S50-N52 VanDerWaalsContact O-N 3.12Å; S50-N52 WeakPolarHBondContact OG-CB 3.04Å; S50-N52 PolarHBondContact OG-N 3.49Å
51	Y	68.4	Low	78.1	Confident	122 Å²	122	58.3 Å²	58.3	48%	0.478	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	29.6	-168	-65.3	-89.2	0	0	0	112.3	N47 D53 P125 Y126	N47-Y51 WeakPolarHBondContact O-CA 3.25Å; N47-Y51 PolarHBondContact O-N 2.85Å; Y51-D53 PolarHBondContact O-N 2.82Å; Y51-P125 HydrophobicContact CE1-CB 4.45Å; Y51-Y126 HydrophobicContact CD1-CD1 4.14Å; Y51-Y126 AromaticContact CD1-CE1 3.62Å; Y51-Y126 HydrophobicContact CD1-CE1 3.62Å; Y51-Y126 HydrophobicContact CD1-CE2 4.45Å; Y51-Y126 AromaticContact CD1-CZ 3.8Å; Y51-Y126 HydrophobicContact CE1-CE1 4.38Å; Y51-Y126 HydrophobicContact CG-CE1 4.49Å
52	N	70.6	Confident	79	Confident	117 Å²	117	56.7 Å²	56.7	63%	0.626	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	104.5	172.9	-73.5	-10.9	0	0	0	106.6	S46 N47 S50	S46-N52 WeakPolarHBondContact CA-O 3.09Å; N47-N52 PolarHBondContact N-O 2.95Å; N47-N52 VanDerWaalsContact N-O 3.09Å; S50-N52 PolarHBondContact O-N 3.49Å; S50-N52 VanDerWaalsContact O-N 3.12Å; S50-N52 WeakPolarHBondContact OG-CB 3.04Å; S50-N52 PolarHBondContact OG-N 3.49Å
53	D	74	Confident	79.7	Confident	32 Å²	32	55.5 Å²	55.5	17%	0.171	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	157.8	164.3	52.2	68.8	0	0	0	110.3	Y51 C55 C61 Y126	Y51-D53 PolarHBondContact O-N 2.82Å; D53-C55 WeakPolarHBondContact OD1-CB 3.42Å; D53-C55 PolarHBondContact OD1-N 3.11Å; D53-C61 HydrophobicContact CB-CB 3.5Å; D53-C61 VanDerWaalsContact CB-CB 3.5Å; D53-C61 PolarHBondContact OD2-N 3.1Å; D53-Y126 PolarHBondContact OD2-OH 2.74Å
54	I	81	Confident	79.9	Confident	109 Å²	109	54.1 Å²	54.1	56%	0.559	28%	0.28	S	S	*	.			trans	-86.2	7.4	175.7	62.3	174	0	0	0	112.7	C44 R45	C44-I54 HydrophobicContact CB-CG1 3.97Å; R45-I54 PolarHBondContact O-N 2.81Å
55	C	84.1	Confident	79.6	Confident	17 Å²	17	55 Å²	55	12%	0.115	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-74.4	150.8	-176.2	-63.2	0	0	0	0	111.8	C44 D53 Y60 C80	C44-C55 WeakPolarHBondContact CB-SG 3.35Å; D53-C55 WeakPolarHBondContact OD1-CB 3.42Å; D53-C55 PolarHBondContact OD1-N 3.11Å; C55-Y60 VanDerWaalsContact SG-C 3.59Å; C55-C80 WeakPolarHBondContact CA-SG 3.04Å; C55-C80 HydrophobicContact CB-CB 3.84Å; C55-C80 WeakPolarHBondContact CB-SG 3.41Å; C55-C80 WeakPolarHBondContact SG-CA 3.22Å; C55-C80 WeakPolarHBondContact SG-CB 3.4Å; C55-C80 CovalentContact SG-SG 2.05Å; C55-C80 PolarHBondContact SG-SG 3.5Å
56	D	82.9	Confident	79.1	Confident	80 Å²	80	50.8 Å²	50.8	43%	0.428	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-58.7	160	175.3	-101.2	-9.5	0	0	0	114.3	Y34 G58 Y59	Y34-D56 HydrophobicContact CD2-CB 4.4Å; Y34-D56 HydrophobicContact CE2-CB 3.81Å; Y34-D56 WeakPolarHBondContact CE2-OD2 3.39Å; Y34-D56 PolarHBondContact OH-OD2 3.41Å; D56-G58 PolarHBondContact O-N 3.23Å; D56-G58 VanDerWaalsContact O-N 3.12Å; D56-Y59 HydrophobicContact CB-CD2 4.42Å; D56-Y59 PolarHBondContact O-N 3.39Å
57	S	83.2	Confident	78.5	Confident	125 Å²	125	53.7 Å²	53.7	87%	0.874	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	120.2	178.1	-174.4	0	0	0	0	111.3
58	G	83.9	Confident	77.3	Confident	34 Å²	34	55.6 Å²	55.6	35%	0.351	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.5	-0.6	-175.6	0	0	0	0	0	114.4	D56 K83	D56-G58 PolarHBondContact O-N 3.23Å; D56-G58 VanDerWaalsContact O-N 3.12Å; G58-K83 WeakPolarHBondContact O-CB 3.34Å; G58-K83 WeakPolarHBondContact O-CG 3.45Å; G58-K83 PolarHBondContact O-N 2.95Å
59	Y	88.2	Confident	75.9	Confident	65 Å²	65	57.2 Å²	57.2	26%	0.255	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	155.7	175.7	-65.8	-100.7	0	0	0	111.6	Y34 D56 C81 P82 K83	Y34-Y59 HydrophobicContact CD2-CD1 4.09Å; Y34-Y59 AromaticContact CD2-CD2 3.76Å; Y34-Y59 HydrophobicContact CD2-CD2 3.76Å; Y34-Y59 AromaticContact CD2-CE1 3.84Å; Y34-Y59 HydrophobicContact CD2-CE1 3.84Å; Y34-Y59 AromaticContact CD2-CE2 3.54Å; Y34-Y59 HydrophobicContact CD2-CE2 3.54Å; Y34-Y59 HydrophobicContact CD2-CG 4.05Å; Y34-Y59 AromaticContact CD2-CZ 3.57Å; Y34-Y59 HydrophobicContact CE2-CD2 4.42Å; Y34-Y59 HydrophobicContact CE2-CE2 4.18Å; Y34-Y59 HydrophobicContact CG-CD1 4.31Å; Y34-Y59 HydrophobicContact CG-CE1 4.2Å; D56-Y59 HydrophobicContact CB-CD2 4.42Å; D56-Y59 PolarHBondContact O-N 3.39Å; Y59-C81 CarbonylContact C-O 3.46Å; Y59-C81 WeakPolarHBondContact CA-O 3.22Å; Y59-C81 VanDerWaalsContact CD1-C 3.42Å; Y59-P82 HydrophobicContact CD1-CB 4.41Å; Y59-P82 HydrophobicContact CD1-CG 4.12Å; Y59-P82 HydrophobicContact CE1-CB 4.2Å; Y59-P82 HydrophobicContact CE1-CG 3.64Å; Y59-K83 WeakPolarHBondContact O-CE 3.29Å
60	Y	86.8	Confident	74.4	Confident	2 Å²	2	57 Å²	57	1%	0.008	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	158.4	175.9	73.5	-82	0	0	0	110.1	P29 C55 N62 C80 C81 P82 K83 H84 D124 Y126	P29-Y60 WeakPolarHBondContact CG-OH 2.99Å; C55-Y60 VanDerWaalsContact SG-C 3.59Å; Y60-N62 HydrophobicContact CE2-CB 3.9Å; Y60-N62 PolarHBondContact O-N 3.09Å; Y60-C80 WeakPolarHBondContact O-CA 3.14Å; Y60-C81 HydrophobicContact CD1-CB 4.33Å; Y60-C81 WeakPolarHBondContact CD1-O 3.31Å; Y60-C81 HydrophobicContact CE1-CB 3.8Å; Y60-C81 PolarHBondContact N-O 3.49Å; Y60-C81 PolarHBondContact O-N 2.99Å; Y60-P82 WeakPolarHBondContact CE1-O 3.3Å; Y60-K83 HydrophobicContact CD1-CG 4.09Å; Y60-H84 AromaticContact CE1-CE1 3.94Å; Y60-H84 AromaticContact CE1-NE2 3.68Å; Y60-H84 AromaticContact CZ-NE2 3.79Å; Y60-D124 WeakPolarHBondContact CE2-OD2 3.47Å; Y60-D124 PolarHBondContact OH-OD2 2.8Å; Y60-Y126 HydrophobicContact CD2-CD1 4.46Å; Y60-Y126 AromaticContact CD2-CD2 3.14Å; Y60-Y126 HydrophobicContact CD2-CD2 3.14Å; Y60-Y126 AromaticContact CD2-CE2 3.46Å; Y60-Y126 HydrophobicContact CD2-CE2 3.46Å; Y60-Y126 VanDerWaalsContact CD2-CE2 3.46Å; Y60-Y126 AromaticContact CD2-CG 3.73Å; Y60-Y126 HydrophobicContact CD2-CG 3.73Å; Y60-Y126 AromaticContact CE2-CD2 3.67Å; Y60-Y126 HydrophobicContact CE2-CD2 3.67Å; Y60-Y126 HydrophobicContact CE2-CE2 4.33Å; Y60-Y126 HydrophobicContact CE2-CG 4.24Å; Y60-Y126 AromaticContact CG-CD2 3.96Å; Y60-Y126 HydrophobicContact CG-CD2 3.96Å; Y60-Y126 HydrophobicContact CG-CE2 4.19Å; Y60-Y126 HydrophobicContact CG-CG 4.15Å
61	C	87.3	Confident	72.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	106.8	179	-166.5	0	0	0	0	112.2	C44 S46 D53 P63	C44-C61 HydrophobicContact CB-CB 3.66Å; C44-C61 WeakPolarHBondContact CB-SG 2.89Å; C44-C61 WeakPolarHBondContact SG-CA 3.16Å; C44-C61 WeakPolarHBondContact SG-CB 3.01Å; C44-C61 CovalentContact SG-SG 2.02Å; C44-C61 PolarHBondContact SG-SG 2.75Å; S46-C61 VanDerWaalsContact CB-CB 3.47Å; D53-C61 HydrophobicContact CB-CB 3.5Å; D53-C61 VanDerWaalsContact CB-CB 3.5Å; D53-C61 PolarHBondContact OD2-N 3.1Å; C61-P63 WeakPolarHBondContact O-CD 3.45Å
62	N	87.7	Confident	71.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	117.7	173.8	-174.4	9.7	0	0	0	110	Y60 G78 I79 C81 H122	Y60-N62 HydrophobicContact CE2-CB 3.9Å; Y60-N62 PolarHBondContact O-N 3.09Å; N62-G78 WeakPolarHBondContact O-CA 3.28Å; N62-I79 HydrophobicContact CB-CG1 4.24Å; N62-I79 PolarHBondContact N-O 2.84Å; N62-I79 PolarHBondContact O-N 2.88Å; N62-C81 HydrophobicContact CB-CB 4.16Å; N62-H122 PolarHBondContact OD1-CE1 3.05Å; N62-H122 PolarHBondContact OD1-NE2 3.07Å
63	P	86.9	Confident	70.5	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	141.1	-176.4	-16.7	28	0	0	0	112.5	C61 V67 V76 P99 H122 P125	C61-P63 WeakPolarHBondContact O-CD 3.45Å; P63-V67 HydrophobicContact CB-CG2 4.42Å; P63-V76 HydrophobicContact CB-CB 4.25Å; P63-V76 HydrophobicContact CB-CG1 4.49Å; P63-V76 HydrophobicContact CB-CG2 4.18Å; P63-V76 HydrophobicContact CG-CG2 4.09Å; P63-P99 VanDerWaalsContact O-CG 3.24Å; P63-P99 WeakPolarHBondContact O-CG 3.02Å; P63-H122 PolarHBondContact O-CD2 3.23Å; P63-H122 VanDerWaalsContact O-CD2 3.28Å; P63-H122 PolarHBondContact O-NE2 3.26Å; P63-P125 HydrophobicContact CG-CG 3.99Å
64	I	85.8	Confident	70	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.015	37%	0.366	C	S	.	.			trans	-113.5	8.2	-178.3	61.8	173.5	0	0	0	113.8	W26 N77 I79 P99 F145	W26-I64 HydrophobicContact CE3-CG2 4.24Å; W26-I64 HydrophobicContact CH2-CB 4.38Å; W26-I64 HydrophobicContact CH2-CD1 3.66Å; W26-I64 HydrophobicContact CH2-CG2 4.18Å; W26-I64 HydrophobicContact CZ3-CB 3.98Å; W26-I64 HydrophobicContact CZ3-CD1 4.1Å; W26-I64 HydrophobicContact CZ3-CG2 3.51Å; I64-N77 WeakPolarHBondContact CG1-O 3.38Å; I64-N77 PolarHBondContact N-O 3.09Å; I64-I79 HydrophobicContact CG2-CG1 4.08Å; I64-I79 HydrophobicContact CG2-CG2 4.16Å; I64-P99 HydrophobicContact CB-CB 4.36Å; I64-P99 HydrophobicContact CG2-CB 3.69Å; I64-P99 HydrophobicContact CG2-CG 4.25Å; I64-F145 HydrophobicContact CD1-CB 3.71Å; I64-F145 HydrophobicContact CD1-CD1 3.18Å; I64-F145 HydrophobicContact CD1-CE1 4.03Å; I64-F145 HydrophobicContact CD1-CG 3.78Å
65	D	78.1	Confident	69.4	Low	20 Å²	20	58 Å²	58	11%	0.107	36%	0.363	C	S	.	.	S	Bend	trans	-152.4	174.7	178.1	-159.4	0	0	0	0	110.4	V67 R137 R153	D65-V67 PolarHBondContact O-N 3.05Å; D65-R137 IonicContact OD1-NH1 2.69Å; D65-R137 PolarHBondContact OD1-NH1 2.78Å; D65-R153 IonicContact OD1-NH2 3.85Å; D65-R153 IonicContact OD2-CZ 3.12Å; D65-R153 IonicContact OD2-NH2 2.64Å; D65-R153 PolarHBondContact OD2-NH2 2.97Å
66	D	68.9	Low	68.8	Low	57 Å²	57	57.7 Å²	57.7	31%	0.305	36%	0.361	S	S	.	.			trans	-59.1	131.8	175.9	-86.6	-44	0	0	0	112	S68 F120 R137	D66-S68 PolarHBondContact O-N 3.44Å; D66-F120 WeakPolarHBondContact OD1-CB 3.43Å; D66-R137 IonicContact OD2-CZ 2.98Å; D66-R137 IonicContact OD2-NH1 2.75Å; D66-R137 PolarHBondContact OD2-NH1 3.1Å; D66-R137 IonicContact OD2-NH2 2.78Å; D66-R137 PolarHBondContact OD2-NH2 2.04Å
67	V	62.8	Low	68.7	Low	61 Å²	61	55.7 Å²	55.7	37%	0.37	35%	0.35	S	S	.	.			trans	-80	73.9	171.3	-171.6	0	0	0	0	108.4	L48 P63 D65 G69 I74 V76	L48-V67 HydrophobicContact CD1-CB 4.38Å; L48-V67 HydrophobicContact CD1-CG1 3.46Å; L48-V67 VanDerWaalsContact CD1-CG1 3.46Å; L48-V67 HydrophobicContact CD1-CG2 3.95Å; P63-V67 HydrophobicContact CB-CG2 4.42Å; D65-V67 PolarHBondContact O-N 3.05Å; V67-G69 PolarHBondContact O-N 3.34Å; V67-I74 HydrophobicContact CB-CG2 4.5Å; V67-I74 HydrophobicContact CG1-CG2 3.1Å; V67-V76 HydrophobicContact CB-CG1 4.34Å; V67-V76 HydrophobicContact CG1-CG1 4.04Å; V67-V76 HydrophobicContact CG2-CG1 3.85Å
68	S	51.8	Low	68.9	Low	73 Å²	73	49.8 Å²	49.8	51%	0.51	31%	0.309	S	S	.	.			trans	-75.1	99.9	178.6	57.8	0	0	0	0	109.9	D66 Q70	D66-S68 PolarHBondContact O-N 3.44Å; S68-Q70 VanDerWaalsContact C-N 3.3Å; S68-Q70 PolarHBondContact O-N 2.99Å
69	G	40.1	Very low	69.2	Low	58 Å²	58	48.1 Å²	48.1	60%	0.598	29%	0.292	S	S	*	.			trans	-66.4	82	172.7	0	0	0	0	0	112.2	V67	V67-G69 PolarHBondContact O-N 3.34Å
70	Q	37.9	Very low	69.2	Low	166 Å²	166	45 Å²	45	78%	0.776	28%	0.28	S	S	*	.			trans	-88.7	101.2	153.9	-73.2	-174.8	-10.2	0	0	107.1	S68 G72	S68-Q70 VanDerWaalsContact C-N 3.3Å; S68-Q70 PolarHBondContact O-N 2.99Å; Q70-G72 PolarHBondContact O-N 2.93Å
71	T	35.2	Very low	69.4	Low	144 Å²	144	45 Å²	45	88%	0.883	28%	0.28	S	S	*	.	S	Bend	trans	18.5	94.4	156.7	51.9	0	0	0	0	116.9
72	G	43.9	Very low	69.4	Low	63 Å²	63	46 Å²	46	65%	0.649	29%	0.286	S	S	*	.	S	Bend	trans	95.9	102.7	165.1	0	0	0	0	0	114.5	Q70	Q70-G72 PolarHBondContact O-N 2.93Å
73	N	50.8	Low	69.2	Low	104 Å²	104	50.9 Å²	50.9	56%	0.556	31%	0.308	S	S	*	.			trans	71.1	89.5	-175.8	-58.5	-33.1	0	0	0	114	N47 T75	N47-N73 PolarHBondContact ND2-OD1 3.4Å; N47-N73 VanDerWaalsContact ND2-OD1 3.1Å; N73-T75 VanDerWaalsContact C-N 3.26Å; N73-T75 PolarHBondContact O-N 3.5Å
74	I	63.3	Low	68.6	Low	63 Å²	63	52.6 Å²	52.6	32%	0.323	32%	0.316	S	S	.	.			trans	-77.3	83.3	171.3	-58.1	178.2	0	0	0	107.4	N47 L48 V67 V76	N47-I74 WeakPolarHBondContact CA-O 3.4Å; L48-I74 HydrophobicContact CB-CB 4.27Å; L48-I74 HydrophobicContact CB-CG2 4.15Å; L48-I74 HydrophobicContact CD1-CG2 3.89Å; L48-I74 HydrophobicContact CG-CG2 4.12Å; L48-I74 PolarHBondContact N-O 3.12Å; V67-I74 HydrophobicContact CB-CG2 4.5Å; V67-I74 HydrophobicContact CG1-CG2 3.1Å; I74-V76 HydrophobicContact CG2-CG1 4.25Å
75	T	67.3	Low	67.7	Low	82 Å²	82	61.2 Å²	61.2	50%	0.503	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.4	172.2	-55.6	0	0	0	0	108.9	R45 S46 N73	R45-T75 HydrophobicContact CB-CG2 4.08Å; R45-T75 HydrophobicContact CG-CG2 4.42Å; S46-T75 CarbonylContact O-C 3.59Å; S46-T75 VanDerWaalsContact O-CA 3.28Å; S46-T75 WeakPolarHBondContact O-CA 3.45Å; N73-T75 VanDerWaalsContact C-N 3.26Å; N73-T75 PolarHBondContact O-N 3.5Å
76	V	72.7	Confident	66.7	Low	10 Å²	10	69.5 Å²	69.5	6%	0.061	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.4	173.8	-62.3	0	0	0	0	109.7	R45 S46 L48 P63 V67 I74	R45-V76 CarbonylContact C-O 3.53Å; R45-V76 VanDerWaalsContact CA-O 3.25Å; R45-V76 WeakPolarHBondContact CA-O 2.86Å; S46-V76 PolarHBondContact N-O 3.44Å; S46-V76 PolarHBondContact O-N 2.83Å; L48-V76 HydrophobicContact CD1-CG1 3.84Å; L48-V76 HydrophobicContact CD1-CG2 4.43Å; L48-V76 HydrophobicContact CD2-CG2 3.84Å; L48-V76 HydrophobicContact CG-CG1 4.08Å; L48-V76 HydrophobicContact CG-CG2 4.04Å; P63-V76 HydrophobicContact CB-CB 4.25Å; P63-V76 HydrophobicContact CB-CG1 4.49Å; P63-V76 HydrophobicContact CB-CG2 4.18Å; P63-V76 HydrophobicContact CG-CG2 4.09Å; V67-V76 HydrophobicContact CB-CG1 4.34Å; V67-V76 HydrophobicContact CG1-CG1 4.04Å; V67-V76 HydrophobicContact CG2-CG1 3.85Å; I74-V76 HydrophobicContact CG2-CG1 4.25Å
77	N	80.7	Confident	66	Low	38 Å²	38	70.4 Å²	70.4	20%	0.203	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	146.4	159.4	-60.7	-45.9	0	0	0	108.2	C44 R45 I64 F145	C44-N77 CarbonylContact O-C 3.41Å; C44-N77 WeakPolarHBondContact O-CA 3.49Å; R45-N77 VanDerWaalsContact CG-OD1 3.26Å; R45-N77 WeakPolarHBondContact CG-OD1 3.38Å; R45-N77 PolarHBondContact NE-OD1 3.32Å; I64-N77 WeakPolarHBondContact CG1-O 3.38Å; I64-N77 PolarHBondContact N-O 3.09Å; N77-F145 WeakPolarHBondContact CB-O 3.5Å; N77-F145 PolarHBondContact ND2-O 2.97Å
78	G	87.5	Confident	65.4	Low	1 Å²	1	73.3 Å²	73.3	1%	0.01	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	-170.1	-177.2	0	0	0	0	0	112.6	C44 N62	C44-G78 PolarHBondContact N-O 2.83Å; C44-G78 PolarHBondContact O-N 2.02Å; C44-G78 VanDerWaalsContact SG-CA 3.57Å; C44-G78 PolarHBondContact SG-O 3.31Å; N62-G78 WeakPolarHBondContact O-CA 3.28Å
79	I	89	Confident	65.4	Low	0 Å²	0	76.5 Å²	76.5	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145.2	170.5	53	170.1	0	0	0	109.6	W26 I33 L43 C44 N62 I64 C81 P99	W26-I79 HydrophobicContact CB-CD1 4.09Å; W26-I79 HydrophobicContact CD2-CD1 4.47Å; W26-I79 HydrophobicContact CD2-CG2 3.71Å; W26-I79 HydrophobicContact CE3-CD1 4.04Å; W26-I79 HydrophobicContact CE3-CG2 3.72Å; W26-I79 HydrophobicContact CG-CG2 4.16Å; W26-I79 HydrophobicContact CH2-CG2 4.35Å; W26-I79 HydrophobicContact CZ2-CG2 4.36Å; W26-I79 HydrophobicContact CZ3-CG2 4.05Å; I33-I79 HydrophobicContact CD1-CB 3.5Å; I33-I79 HydrophobicContact CD1-CD1 4.07Å; I33-I79 HydrophobicContact CD1-CG1 4.36Å; I33-I79 HydrophobicContact CD1-CG2 3.51Å; I33-I79 HydrophobicContact CG1-CB 4.1Å; L43-I79 HydrophobicContact CD2-CG2 4.11Å; C44-I79 PolarHBondContact SG-N 3.05Å; C44-I79 VanDerWaalsContact SG-N 3.4Å; N62-I79 HydrophobicContact CB-CG1 4.24Å; N62-I79 PolarHBondContact N-O 2.84Å; N62-I79 PolarHBondContact O-N 2.88Å; I64-I79 HydrophobicContact CG2-CG1 4.08Å; I64-I79 HydrophobicContact CG2-CG2 4.16Å; I79-C81 PolarHBondContact O-N 3.02Å; I79-P99 HydrophobicContact CD1-CB 4.44Å
80	C	89.7	Confident	65.9	Low	0 Å²	0	77.1 Å²	77.1	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	111.6	174.8	-69.2	0	0	0	0	110.5	Y34 E42 C44 C55 Y60	Y34-C80 PolarHBondContact N-O 2.81Å; E42-C80 HydrophobicContact CB-CB 4.27Å; E42-C80 HydrophobicContact CG-CB 4.48Å; E42-C80 PolarHBondContact O-N 3.37Å; C44-C80 VanDerWaalsContact CB-SG 3.59Å; C55-C80 WeakPolarHBondContact CA-SG 3.04Å; C55-C80 HydrophobicContact CB-CB 3.84Å; C55-C80 WeakPolarHBondContact CB-SG 3.41Å; C55-C80 WeakPolarHBondContact SG-CA 3.22Å; C55-C80 WeakPolarHBondContact SG-CB 3.4Å; C55-C80 CovalentContact SG-SG 2.05Å; C55-C80 PolarHBondContact SG-SG 3.5Å; Y60-C80 WeakPolarHBondContact O-CA 3.14Å
81	C	89.7	Confident	66.6	Low	0 Å²	0	74.2 Å²	74.2	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145.2	179	-74.9	0	0	0	0	111.4	C28 Y59 Y60 N62 I79 K83	C28-C81 WeakPolarHBondContact CA-SG 2.94Å; C28-C81 HydrophobicContact CB-CB 3.65Å; C28-C81 WeakPolarHBondContact CB-SG 3.48Å; C28-C81 WeakPolarHBondContact SG-CA 2.99Å; C28-C81 WeakPolarHBondContact SG-CB 3.3Å; C28-C81 CovalentContact SG-SG 2.04Å; C28-C81 PolarHBondContact SG-SG 3.37Å; Y59-C81 CarbonylContact C-O 3.46Å; Y59-C81 WeakPolarHBondContact CA-O 3.22Å; Y59-C81 VanDerWaalsContact CD1-C 3.42Å; Y60-C81 HydrophobicContact CD1-CB 4.33Å; Y60-C81 WeakPolarHBondContact CD1-O 3.31Å; Y60-C81 HydrophobicContact CE1-CB 3.8Å; Y60-C81 PolarHBondContact N-O 3.49Å; Y60-C81 PolarHBondContact O-N 2.99Å; N62-C81 HydrophobicContact CB-CB 4.16Å; I79-C81 PolarHBondContact O-N 3.02Å; C81-K83 PolarHBondContact O-N 2.92Å
82	P	87.7	Confident	67.7	Low	21 Å²	21	70 Å²	70	14%	0.136	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	127.6	177	-24.6	31.5	0	0	0	111.7	H30 D32 Y59 Y60	H30-P82 WeakPolarHBondContact O-CD 3.37Å; D32-P82 VanDerWaalsContact O-CD 3.26Å; D32-P82 WeakPolarHBondContact O-CD 3.06Å; D32-P82 WeakPolarHBondContact O-CG 3Å; Y59-P82 HydrophobicContact CD1-CB 4.41Å; Y59-P82 HydrophobicContact CD1-CG 4.12Å; Y59-P82 HydrophobicContact CE1-CB 4.2Å; Y59-P82 HydrophobicContact CE1-CG 3.64Å; Y60-P82 WeakPolarHBondContact CE1-O 3.3Å
83	K	83.7	Confident	68.5	Low	103 Å²	103	76.2 Å²	76.2	45%	0.448	41%	0.41	S	S	.	.			trans	-57.9	143.8	170	-70.2	-176.1	-166	-171.8	0	109.1	G58 Y59 Y60 C81 K85	G58-K83 WeakPolarHBondContact O-CB 3.34Å; G58-K83 WeakPolarHBondContact O-CG 3.45Å; G58-K83 PolarHBondContact O-N 2.95Å; Y59-K83 WeakPolarHBondContact O-CE 3.29Å; Y60-K83 HydrophobicContact CD1-CG 4.09Å; C81-K83 PolarHBondContact O-N 2.92Å; K83-K85 PolarHBondContact O-N 3.03Å
84	H	74.5	Confident	69.5	Low	37 Å²	37	72.1 Å²	72.1	17%	0.171	39%	0.389	C	S	.	.			trans	-65.2	113.9	176.1	-46	-57.9	0	0	0	109.6	Y60 K86 I92 T94 L127	Y60-H84 AromaticContact CE1-CE1 3.94Å; Y60-H84 AromaticContact CE1-NE2 3.68Å; Y60-H84 AromaticContact CZ-NE2 3.79Å; H84-K86 PolarHBondContact O-N 3.44Å; H84-I92 HydrophobicContact CB-CD1 3.83Å; H84-I92 HydrophobicContact CB-CG1 4.49Å; H84-I92 HydrophobicContact CB-CG2 3.86Å; H84-T94 WeakPolarHBondContact ND1-CG2 3.19Å; H84-L127 WeakPolarHBondContact CD2-CD2 3.47Å; H84-L127 VanDerWaalsContact CE1-CD1 3.44Å; H84-L127 WeakPolarHBondContact CE1-CD1 3.47Å; H84-L127 WeakPolarHBondContact NE2-CD1 3.09Å; H84-L127 VanDerWaalsContact NE2-CD2 3.26Å; H84-L127 WeakPolarHBondContact NE2-CD2 3.38Å; H84-L127 WeakPolarHBondContact NE2-CG 3.26Å
85	K	65.8	Low	70.1	Confident	184 Å²	184	78.7 Å²	78.7	80%	0.8	41%	0.41	S	S	*	.			trans	-67.2	125.6	167.8	-66.7	-174.2	-179.6	179.6	0	107.2	K83 V87	K83-K85 PolarHBondContact O-N 3.03Å; K85-V87 VanDerWaalsContact C-N 3.31Å; K85-V87 PolarHBondContact O-N 3.49Å
86	K	58.6	Low	70.8	Confident	194 Å²	194	76.5 Å²	76.5	84%	0.843	40%	0.399	S	S	*	.			trans	-59.1	101.5	163.5	-72.3	-176.8	178	-179.6	0	106.4	H84	H84-K86 PolarHBondContact O-N 3.44Å
87	V	54.1	Low	71.6	Confident	76 Å²	76	77.4 Å²	77.4	46%	0.461	41%	0.405	S	S	.	.			trans	-68.3	137.6	166	-79	0	0	0	0	107.1	K85 D89 G90 V91	K85-V87 VanDerWaalsContact C-N 3.31Å; K85-V87 PolarHBondContact O-N 3.49Å; V87-D89 PolarHBondContact O-N 3.16Å; V87-G90 PolarHBondContact O-N 2.04Å; V87-V91 VanDerWaalsContact CG2-O 3.23Å; V87-V91 WeakPolarHBondContact CG2-O 3.47Å
88	S	48.7	Very low	72.1	Confident	122 Å²	122	75.6 Å²	75.6	85%	0.853	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-19.7	-174.7	31.8	0	0	0	0	114.8
89	D	52.9	Low	72.2	Confident	141 Å²	141	75.6 Å²	75.6	75%	0.754	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	16.8	-179.8	-55.8	-24.7	0	0	0	113.7	V87 V91	V87-D89 PolarHBondContact O-N 3.16Å; D89-V91 PolarHBondContact O-N 3.32Å
90	G	50.1	Low	72.3	Confident	70 Å²	70	75.7 Å²	75.7	72%	0.722	40%	0.396	S	S	*	.	S	Bend	trans	73.1	-15.6	168.3	0	0	0	0	0	116.4	V87	V87-G90 PolarHBondContact O-N 2.04Å
91	V	52	Low	72.3	Confident	106 Å²	106	76.3 Å²	76.3	64%	0.642	40%	0.402	S	S	*	.			trans	-105.3	96.1	-179.2	-172.4	0	0	0	0	110.4	V87 D89 K93	V87-V91 VanDerWaalsContact CG2-O 3.23Å; V87-V91 WeakPolarHBondContact CG2-O 3.47Å; D89-V91 PolarHBondContact O-N 3.32Å; V91-K93 PolarHBondContact O-N 3.3Å; V91-K93 VanDerWaalsContact O-N 3.09Å
92	I	59.1	Low	72.3	Confident	56 Å²	56	83.4 Å²	83.4	29%	0.287	43%	0.433	S	S	.	.			trans	-64.9	108.9	166.2	-61	167.1	0	0	0	107.1	H84 T94	H84-I92 HydrophobicContact CB-CD1 3.83Å; H84-I92 HydrophobicContact CB-CG1 4.49Å; H84-I92 HydrophobicContact CB-CG2 3.86Å; I92-T94 HydrophobicContact CG2-CG2 3.3Å; I92-T94 PolarHBondContact O-N 2.84Å
93	K	61.7	Low	72.4	Confident	193 Å²	193	85.3 Å²	85.3	84%	0.839	45%	0.445	S	S	*	.			trans	-71.6	64.8	170.1	-71.3	-175.5	-179.3	175.5	0	110.4	V91	V91-K93 PolarHBondContact O-N 3.3Å; V91-K93 VanDerWaalsContact O-N 3.09Å
94	T	71.1	Confident	72.7	Confident	17 Å²	17	83.9 Å²	83.9	10%	0.104	44%	0.442	C	S	.	.			trans	-90.9	142.7	170.6	40	0	0	0	0	109.7	H84 I92 L127	H84-T94 WeakPolarHBondContact ND1-CG2 3.19Å; I92-T94 HydrophobicContact CG2-CG2 3.3Å; I92-T94 PolarHBondContact O-N 2.84Å; T94-L127 HydrophobicContact CG2-CD1 4.05Å; T94-L127 HydrophobicContact CG2-CD2 4.21Å
95	R	75.3	Confident	73	Confident	202 Å²	202	89 Å²	89	76%	0.762	47%	0.471	S	S	*	.			trans	-117.6	148.1	171.7	-65.5	-179.1	178.1	176.4	-0.9	107.6	V97	R95-V97 PolarHBondContact O-N 2.04Å
96	A	82	Confident	73.3	Confident	35 Å²	35	81.2 Å²	81.2	29%	0.289	44%	0.439	S	S	.	.			trans	-67.2	131.3	168	0	0	0	0	0	108	L130 L133	A96-L130 HydrophobicContact CB-CB 4.36Å; A96-L130 HydrophobicContact CB-CD1 4.37Å; A96-L133 HydrophobicContact CB-CD1 3.47Å; A96-L133 VanDerWaalsContact CB-CD1 3.47Å; A96-L133 HydrophobicContact CB-CD2 4.11Å; A96-L133 HydrophobicContact CB-CG 3.64Å; A96-L133 WeakPolarHBondContact O-CD1 3.46Å
97	V	88.9	Confident	73.5	Confident	30 Å²	30	81.1 Å²	81.1	18%	0.182	43%	0.434	C	S	.	.			trans	-137.1	135.4	-178.6	177.2	0	0	0	0	107.9	R27 R95	R27-V97 HydrophobicContact CB-CG1 3.85Å; R95-V97 PolarHBondContact O-N 2.04Å
98	C	91.2	Very high	74	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	45%	0.445	C	S	.	.			trans	-70.6	132.7	171.3	-63.9	0	0	0	0	110.3	R27 V100 P103 C135	R27-C98 PolarHBondContact NE-O 3.43Å; R27-C98 PolarHBondContact NH2-O 3.33Å; C98-V100 VanDerWaalsContact CB-O 3.29Å; C98-V100 WeakPolarHBondContact CB-O 3.29Å; C98-V100 PolarHBondContact O-N 2.83Å; C98-V100 VanDerWaalsContact O-N 3.15Å; C98-P103 WeakPolarHBondContact SG-CA 3.31Å; C98-P103 VanDerWaalsContact SG-CB 3.59Å; C98-C135 WeakPolarHBondContact CA-SG 3.37Å; C98-C135 HydrophobicContact CB-CB 3.57Å; C98-C135 WeakPolarHBondContact CB-SG 3.16Å; C98-C135 WeakPolarHBondContact SG-CA 3.28Å; C98-C135 WeakPolarHBondContact SG-CB 3.29Å; C98-C135 CovalentContact SG-SG 2.03Å; C98-C135 PolarHBondContact SG-SG 2.55Å
99	P	90.5	Very high	75.6	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.006	42%	0.422	C	S	.	.	S	Bend	trans	-57.6	-30.9	178.1	-21.2	28.9	0	0	0	112.9	R27 P63 I64 I79	R27-P99 PolarHBondContact N-O 3Å; P63-P99 VanDerWaalsContact O-CG 3.24Å; P63-P99 WeakPolarHBondContact O-CG 3.02Å; I64-P99 HydrophobicContact CB-CB 4.36Å; I64-P99 HydrophobicContact CG2-CB 3.69Å; I64-P99 HydrophobicContact CG2-CG 4.25Å; I79-P99 HydrophobicContact CD1-CB 4.44Å
100	V	90.5	Very high	77.2	Confident	2 Å²	2	73.2 Å²	73.2	1%	0.012	39%	0.388	C	S	.	.	S	Bend	trans	-131.1	141.5	174.6	-178.8	0	0	0	0	109.8	Y13 P23 W26 C98 A138	Y13-V100 VanDerWaalsContact CB-CG1 3.46Å; Y13-V100 HydrophobicContact CG-CG1 4.38Å; P23-V100 HydrophobicContact CB-CG1 4.49Å; P23-V100 HydrophobicContact CB-CG2 4.03Å; P23-V100 HydrophobicContact CG-CG2 4.29Å; W26-V100 HydrophobicContact CE3-CG2 3.57Å; W26-V100 HydrophobicContact CH2-CG2 4.05Å; W26-V100 HydrophobicContact CZ3-CG2 3.26Å; C98-V100 VanDerWaalsContact CB-O 3.29Å; C98-V100 WeakPolarHBondContact CB-O 3.29Å; C98-V100 PolarHBondContact O-N 2.83Å; C98-V100 VanDerWaalsContact O-N 3.15Å; V100-A138 HydrophobicContact CG2-CB 4.11Å
101	G	90.1	Very high	78.8	Confident	13 Å²	13	77.2 Å²	77.2	13%	0.134	39%	0.386	C	S	.	.	S	Bend	trans	61.3	-166.7	173.2	0	0	0	0	0	114.4	R27	R27-G101 PolarHBondContact NE-O 3.14Å; R27-G101 PolarHBondContact NH1-O 3.25Å; R27-G101 PolarHBondContact NH2-O 2.83Å
102	K	90	Very high	80.4	Confident	148 Å²	148	80.8 Å²	80.8	64%	0.643	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-103.9	147.8	179.9	-66.9	-175.8	-176.6	179.3	0	110.4	P136	K102-P136 VanDerWaalsContact O-CD 3.25Å; K102-P136 WeakPolarHBondContact O-CD 3.46Å; K102-P136 WeakPolarHBondContact O-CG 3.02Å
103	P	90.2	Very high	81.9	Confident	61 Å²	61	83.6 Å²	83.6	40%	0.396	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-59.2	141.3	175.3	24.8	-33.1	0	0	0	110.6	C98 L133 C134	C98-P103 WeakPolarHBondContact SG-CA 3.31Å; C98-P103 VanDerWaalsContact SG-CB 3.59Å; P103-L133 HydrophobicContact CB-CB 4.28Å; P103-L133 HydrophobicContact CB-CD1 4.23Å; P103-L133 HydrophobicContact CB-CD2 4.3Å; P103-L133 HydrophobicContact CG-CD1 4.4Å; P103-C134 CarbonylContact C-O 3.59Å; P103-C134 WeakPolarHBondContact CA-O 3.45Å
104	L	89.9	Confident	83.2	Confident	73 Å²	73	74.9 Å²	74.9	38%	0.382	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-72.3	133.4	167.5	-174.4	65.6	0	0	0	108.5	V106 P115 C134	L104-V106 HydrophobicContact CB-CG1 4.23Å; L104-V106 HydrophobicContact CD2-CG1 3.78Å; L104-V106 HydrophobicContact CG-CG1 3.88Å; L104-V106 PolarHBondContact O-N 3.36Å; L104-P115 HydrophobicContact CD2-CG 3.86Å; L104-C134 HydrophobicContact CB-CB 4.2Å; L104-C134 PolarHBondContact N-O 3.26Å
105	D	80.8	Confident	84.1	Confident	144 Å²	144	76.6 Å²	76.6	77%	0.77	37%	0.37	S	S	*	.			trans	-71	94.7	173.8	-166.7	11.9	0	0	0	109.1
106	V	71.5	Confident	84.5	Confident	22 Å²	22	72.4 Å²	72.4	13%	0.133	36%	0.359	C	S	.	.			trans	-110.9	128.7	177.6	-65.6	0	0	0	0	109.7	L104 S108 C134	L104-V106 HydrophobicContact CB-CG1 4.23Å; L104-V106 HydrophobicContact CD2-CG1 3.78Å; L104-V106 HydrophobicContact CG-CG1 3.88Å; L104-V106 PolarHBondContact O-N 3.36Å; V106-S108 PolarHBondContact O-N 2.84Å; V106-C134 HydrophobicContact CB-CB 4.36Å; V106-C134 HydrophobicContact CG1-CB 3.86Å; V106-C134 HydrophobicContact CG2-CB 3.51Å
107	Y	62.1	Low	84.6	Confident	191 Å²	191	78.5 Å²	78.5	75%	0.749	38%	0.379	S	S	*	.			trans	-64.8	107.8	-179.8	-76.6	-84.4	0	0	0	111.1	D109 Y113	Y107-D109 PolarHBondContact O-N 3.31Å; Y107-Y113 WeakPolarHBondContact O-CD2 3.25Å; Y107-Y113 VanDerWaalsContact O-CE2 3.28Å; Y107-Y113 WeakPolarHBondContact O-CE2 3.35Å
108	S	66.5	Low	84.4	Confident	99 Å²	99	79.8 Å²	79.8	69%	0.692	39%	0.387	S	S	*	.	S	Bend	trans	59.6	-46.3	168	65.9	0	0	0	0	119	V106	V106-S108 PolarHBondContact O-N 2.84Å
109	D	81.9	Confident	84.3	Confident	67 Å²	67	81 Å²	81	36%	0.358	39%	0.393	S	S	.	.			trans	-115.6	99.8	-170.5	-174.7	-14.7	0	0	0	110.6	Y107 K111 R112 Y113	Y107-D109 PolarHBondContact O-N 3.31Å; D109-K111 VanDerWaalsContact C-N 3.33Å; D109-K111 PolarHBondContact O-N 3.45Å; D109-K111 PolarHBondContact OD1-N 3.39Å; D109-R112 HydrophobicContact CB-CB 4Å; D109-R112 VanDerWaalsContact CG-CB 3.46Å; D109-R112 PolarHBondContact O-N 3.4Å; D109-R112 PolarHBondContact OD1-N 3.3Å; D109-R112 VanDerWaalsContact OD1-N 3.11Å; D109-R112 WeakPolarHBondContact OD2-CB 3.47Å; D109-Y113 HydrophobicContact CB-CD2 4.07Å; D109-Y113 HydrophobicContact CB-CE2 4.06Å; D109-Y113 WeakPolarHBondContact O-CD2 3.37Å; D109-Y113 PolarHBondContact O-N 2.88Å; D109-Y113 VanDerWaalsContact O-N 3.16Å
110	C	86.3	Confident	84.2	Confident	7 Å²	7	81.3 Å²	81.3	5%	0.047	39%	0.394	C	S	.	.	H	α-helix	trans	-59.1	-45.6	178.8	-175.7	0	0	0	0	111.4	R112 Y113 C114 C121 E132	C110-R112 PolarHBondContact O-N 2.89Å; C110-Y113 PolarHBondContact O-N 3.07Å; C110-C114 WeakPolarHBondContact O-CA 3.24Å; C110-C114 WeakPolarHBondContact O-CB 3Å; C110-C114 PolarHBondContact O-N 3.28Å; C110-C121 HydrophobicContact CB-CB 3.98Å; C110-C121 WeakPolarHBondContact CB-SG 3.07Å; C110-C121 PolarHBondContact O-SG 3.02Å; C110-C121 WeakPolarHBondContact SG-CA 3.49Å; C110-C121 WeakPolarHBondContact SG-CB 3.45Å; C110-C121 CovalentContact SG-SG 2.04Å; C110-C121 PolarHBondContact SG-SG 3.27Å; C110-E132 HydrophobicContact CB-CB 4.32Å
111	K	83.1	Confident	84.1	Confident	154 Å²	154	82.6 Å²	82.6	67%	0.67	40%	0.403	S	S	*	.	H	α-helix	trans	-63.3	-33.4	-174.2	-65.9	-177	-179.6	179.2	0	111.9	D109 C121	D109-K111 VanDerWaalsContact C-N 3.33Å; D109-K111 PolarHBondContact O-N 3.45Å; D109-K111 PolarHBondContact OD1-N 3.39Å; K111-C121 PolarHBondContact N-SG 2.72Å
112	R	86.2	Confident	84.1	Confident	181 Å²	181	82.3 Å²	82.3	68%	0.683	40%	0.398	S	S	*	.	H	α-helix	trans	-80.9	-35.8	-179.7	-172.6	172.2	-179.8	176.7	-0.4	113.9	D109 C110	D109-R112 HydrophobicContact CB-CB 4Å; D109-R112 VanDerWaalsContact CG-CB 3.46Å; D109-R112 PolarHBondContact O-N 3.4Å; D109-R112 PolarHBondContact OD1-N 3.3Å; D109-R112 VanDerWaalsContact OD1-N 3.11Å; D109-R112 WeakPolarHBondContact OD2-CB 3.47Å; C110-R112 PolarHBondContact O-N 2.89Å
113	Y	89.7	Confident	83.8	Confident	115 Å²	115	79.7 Å²	79.7	45%	0.451	39%	0.387	S	S	.	.	H	α-helix	trans	-114.3	-9.7	-168	-58.7	-62.9	0	0	0	114.6	Y107 D109 C110	Y107-Y113 WeakPolarHBondContact O-CD2 3.25Å; Y107-Y113 VanDerWaalsContact O-CE2 3.28Å; Y107-Y113 WeakPolarHBondContact O-CE2 3.35Å; D109-Y113 HydrophobicContact CB-CD2 4.07Å; D109-Y113 HydrophobicContact CB-CE2 4.06Å; D109-Y113 WeakPolarHBondContact O-CD2 3.37Å; D109-Y113 PolarHBondContact O-N 2.88Å; D109-Y113 VanDerWaalsContact O-N 3.16Å; C110-Y113 PolarHBondContact O-N 3.07Å
114	C	89.5	Confident	83.3	Confident	11 Å²	11	77.2 Å²	77.2	7%	0.074	37%	0.37	C	S	.	.	S	Bend	trans	-76.5	123.2	-179.7	-165.3	0	0	0	0	111	C110 E116 H119 C134	C110-C114 WeakPolarHBondContact O-CA 3.24Å; C110-C114 WeakPolarHBondContact O-CB 3Å; C110-C114 PolarHBondContact O-N 3.28Å; C114-E116 PolarHBondContact O-N 3.37Å; C114-H119 WeakPolarHBondContact SG-CB 2.89Å; C114-C134 WeakPolarHBondContact CA-SG 3.43Å; C114-C134 HydrophobicContact CB-CB 3.7Å; C114-C134 WeakPolarHBondContact CB-SG 2.96Å; C114-C134 WeakPolarHBondContact SG-CA 3.21Å; C114-C134 WeakPolarHBondContact SG-CB 3.47Å; C114-C134 CovalentContact SG-SG 2.04Å; C114-C134 PolarHBondContact SG-SG 2.84Å
115	P	89.4	Confident	82.6	Confident	52 Å²	52	74.7 Å²	74.7	34%	0.338	36%	0.358	S	S	.	.			trans	-72.3	98.8	-176.6	28.7	-34.5	0	0	0	110.8	L104 K117 T118 H119	L104-P115 HydrophobicContact CD2-CG 3.86Å; P115-K117 PolarHBondContact O-N 2.9Å; P115-T118 PolarHBondContact O-N 3.15Å; P115-H119 HydrophobicContact CG-CB 4.16Å; P115-H119 PolarHBondContact O-N 3.44Å
116	E	85.3	Confident	82.4	Confident	114 Å²	114	71 Å²	71	53%	0.533	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-24.9	-171.8	-61.4	-176	178.5	0	0	115.2	C114 T118 H119 R137 K141	C114-E116 PolarHBondContact O-N 3.37Å; E116-T118 VanDerWaalsContact C-N 3.32Å; E116-T118 PolarHBondContact O-N 2.92Å; E116-H119 CarbonylContact C-O 3.58Å; E116-H119 WeakPolarHBondContact CA-O 3.43Å; E116-R137 VanDerWaalsContact O-CZ 3.29Å; E116-R137 PolarHBondContact O-NE 3.19Å; E116-R137 PolarHBondContact O-NH2 2.97Å; E116-K141 IonicContact OE2-NZ 2.88Å; E116-K141 PolarHBondContact OE2-NZ 3.02Å
117	K	82.8	Confident	82.7	Confident	164 Å²	164	70.2 Å²	70.2	71%	0.713	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-31.5	-179.6	-69.3	-171.6	179.1	-178.3	0	113.1	P115 K141	P115-K117 PolarHBondContact O-N 2.9Å; K117-K141 PolarHBondContact O-N 2.89Å
118	T	84.4	Confident	83.3	Confident	57 Å²	57	65.6 Å²	65.6	35%	0.35	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-17.1	-172.7	55.5	0	0	0	0	113.2	P115 E116 R137	P115-T118 PolarHBondContact O-N 3.15Å; E116-T118 VanDerWaalsContact C-N 3.32Å; E116-T118 PolarHBondContact O-N 2.92Å; T118-R137 PolarHBondContact O-N 2.03Å
119	H	90.1	Very high	83.8	Confident	26 Å²	26	67 Å²	67	12%	0.12	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	166.3	-178.6	-63.3	67.1	0	0	0	111.3	C114 P115 E116 C134 C135 P136 R137	C114-H119 WeakPolarHBondContact SG-CB 2.89Å; P115-H119 HydrophobicContact CG-CB 4.16Å; P115-H119 PolarHBondContact O-N 3.44Å; E116-H119 CarbonylContact C-O 3.58Å; E116-H119 WeakPolarHBondContact CA-O 3.43Å; H119-C134 VanDerWaalsContact CB-SG 3.52Å; H119-C135 CarbonylContact C-O 3.43Å; H119-C135 WeakPolarHBondContact CA-O 3.41Å; H119-C135 WeakPolarHBondContact CB-O 3.49Å; H119-C135 VanDerWaalsContact CD2-C 3.45Å; H119-P136 VanDerWaalsContact CD2-N 3.32Å; H119-R137 VanDerWaalsContact O-CZ 3.3Å; H119-R137 PolarHBondContact O-NE 3.49Å; H119-R137 VanDerWaalsContact O-NE 3.09Å; H119-R137 PolarHBondContact O-NH2 3.23Å
120	F	87.9	Confident	83.7	Confident	7 Å²	7	65.5 Å²	65.5	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	159.4	176.4	78.6	-78.6	0	0	0	110.2	D66 H122 C135 P136 R137	D66-F120 WeakPolarHBondContact OD1-CB 3.43Å; F120-H122 HydrophobicContact CD2-CB 4.24Å; F120-H122 HydrophobicContact CE2-CB 3.57Å; F120-H122 AromaticContact CE2-CD2 3.77Å; F120-H122 HydrophobicContact CZ-CB 3.76Å; F120-H122 AromaticContact CZ-CD2 3.79Å; F120-H122 PolarHBondContact O-N 3.41Å; F120-C135 HydrophobicContact CD1-CB 4.07Å; F120-C135 VanDerWaalsContact CD1-O 3.29Å; F120-C135 WeakPolarHBondContact CD1-O 3.01Å; F120-C135 HydrophobicContact CE1-CB 3.69Å; F120-C135 HydrophobicContact CZ-CB 4.16Å; F120-C135 PolarHBondContact N-O 2.05Å; F120-C135 PolarHBondContact O-N 3.4Å; F120-P136 WeakPolarHBondContact CE1-O 3.01Å; F120-R137 HydrophobicContact CB-CG 4.11Å; F120-R137 HydrophobicContact CD1-CB 4.45Å; F120-R137 HydrophobicContact CD1-CG 3.99Å; F120-R137 HydrophobicContact CG-CG 4.48Å
121	C	89.1	Confident	83.5	Confident	29 Å²	29	71.6 Å²	71.6	20%	0.196	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	94.8	176	-69.2	0	0	0	0	109.9	C110 K111 K123 L133	C110-C121 HydrophobicContact CB-CB 3.98Å; C110-C121 WeakPolarHBondContact CB-SG 3.07Å; C110-C121 PolarHBondContact O-SG 3.02Å; C110-C121 WeakPolarHBondContact SG-CA 3.49Å; C110-C121 WeakPolarHBondContact SG-CB 3.45Å; C110-C121 CovalentContact SG-SG 2.04Å; C110-C121 PolarHBondContact SG-SG 3.27Å; K111-C121 PolarHBondContact N-SG 2.72Å; C121-K123 PolarHBondContact O-N 3.45Å; C121-L133 CarbonylContact C-O 3.56Å; C121-L133 WeakPolarHBondContact CA-O 3.49Å
122	H	88.7	Confident	83.7	Confident	7 Å²	7	66.9 Å²	66.9	3%	0.032	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.6	178.1	-179.8	-102.5	0	0	0	109.9	N62 P63 F120 E132 L133 C135	N62-H122 PolarHBondContact OD1-CE1 3.05Å; N62-H122 PolarHBondContact OD1-NE2 3.07Å; P63-H122 PolarHBondContact O-CD2 3.23Å; P63-H122 VanDerWaalsContact O-CD2 3.28Å; P63-H122 PolarHBondContact O-NE2 3.26Å; F120-H122 HydrophobicContact CD2-CB 4.24Å; F120-H122 HydrophobicContact CE2-CB 3.57Å; F120-H122 AromaticContact CE2-CD2 3.77Å; F120-H122 HydrophobicContact CZ-CB 3.76Å; F120-H122 AromaticContact CZ-CD2 3.79Å; F120-H122 PolarHBondContact O-N 3.41Å; H122-E132 WeakPolarHBondContact O-CA 3.35Å; H122-L133 PolarHBondContact N-O 3Å; H122-L133 PolarHBondContact O-N 2.78Å; H122-C135 HydrophobicContact CB-CB 3.89Å; H122-C135 WeakPolarHBondContact CB-SG 3.42Å
123	K	83.7	Confident	83.9	Confident	93 Å²	93	59.6 Å²	59.6	40%	0.404	29%	0.288	S	S	.	.			trans	-126.4	121.8	166.5	-171.9	162.9	-174.6	165.3	0	107.9	C121 P125 E132	C121-K123 PolarHBondContact O-N 3.45Å; K123-P125 VanDerWaalsContact O-CD 3.29Å; K123-P125 WeakPolarHBondContact O-CD 3.47Å; K123-E132 HydrophobicContact CB-CG 4.04Å; K123-E132 HydrophobicContact CD-CG 3.9Å; K123-E132 WeakPolarHBondContact CD-OE1 3.47Å; K123-E132 HydrophobicContact CG-CG 4.21Å
124	D	81.1	Confident	84	Confident	9 Å²	9	54.2 Å²	54.2	5%	0.048	27%	0.267	C	S	.	.			trans	-70.5	115.7	170.9	-174.7	-38.1	0	0	0	108.7	Y60 Y126 L127	Y60-D124 WeakPolarHBondContact CE2-OD2 3.47Å; Y60-D124 PolarHBondContact OH-OD2 2.8Å; D124-Y126 PolarHBondContact O-N 3.5Å; D124-Y126 WeakPolarHBondContact OD1-CA 3.16Å; D124-Y126 WeakPolarHBondContact OD1-CB 3.15Å; D124-Y126 PolarHBondContact OD1-N 2.87Å; D124-L127 HydrophobicContact CB-CB 3.97Å; D124-L127 HydrophobicContact CB-CD1 4.36Å; D124-L127 HydrophobicContact CB-CG 4.44Å; D124-L127 CarbonylContact O-C 3.46Å; D124-L127 PolarHBondContact O-N 2.65Å; D124-L127 PolarHBondContact OD1-N 3.05Å; D124-L127 VanDerWaalsContact OD1-N 3.16Å
125	P	74.6	Confident	84.1	Confident	20 Å²	20	53.7 Å²	53.7	13%	0.13	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.8	-175	26.7	-29.9	0	0	0	113	L48 Y51 P63 K123 T128	L48-P125 HydrophobicContact CD1-CG 4.49Å; L48-P125 HydrophobicContact CD2-CB 4.2Å; L48-P125 HydrophobicContact CD2-CG 3.74Å; Y51-P125 HydrophobicContact CE1-CB 4.45Å; P63-P125 HydrophobicContact CG-CG 3.99Å; K123-P125 VanDerWaalsContact O-CD 3.29Å; K123-P125 WeakPolarHBondContact O-CD 3.47Å; P125-T128 WeakPolarHBondContact O-CG2 3.21Å
126	Y	76.2	Confident	84.1	Confident	67 Å²	67	51.3 Å²	51.3	26%	0.263	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-17.7	177.2	-57.4	-99.4	0	0	0	111.9	Y51 D53 Y60 D124	Y51-Y126 HydrophobicContact CD1-CD1 4.14Å; Y51-Y126 AromaticContact CD1-CE1 3.62Å; Y51-Y126 HydrophobicContact CD1-CE1 3.62Å; Y51-Y126 HydrophobicContact CD1-CE2 4.45Å; Y51-Y126 AromaticContact CD1-CZ 3.8Å; Y51-Y126 HydrophobicContact CE1-CE1 4.38Å; Y51-Y126 HydrophobicContact CG-CE1 4.49Å; D53-Y126 PolarHBondContact OD2-OH 2.74Å; Y60-Y126 HydrophobicContact CD2-CD1 4.46Å; Y60-Y126 AromaticContact CD2-CD2 3.14Å; Y60-Y126 HydrophobicContact CD2-CD2 3.14Å; Y60-Y126 AromaticContact CD2-CE2 3.46Å; Y60-Y126 HydrophobicContact CD2-CE2 3.46Å; Y60-Y126 VanDerWaalsContact CD2-CE2 3.46Å; Y60-Y126 AromaticContact CD2-CG 3.73Å; Y60-Y126 HydrophobicContact CD2-CG 3.73Å; Y60-Y126 AromaticContact CE2-CD2 3.67Å; Y60-Y126 HydrophobicContact CE2-CD2 3.67Å; Y60-Y126 HydrophobicContact CE2-CE2 4.33Å; Y60-Y126 HydrophobicContact CE2-CG 4.24Å; Y60-Y126 AromaticContact CG-CD2 3.96Å; Y60-Y126 HydrophobicContact CG-CD2 3.96Å; Y60-Y126 HydrophobicContact CG-CE2 4.19Å; Y60-Y126 HydrophobicContact CG-CG 4.15Å; D124-Y126 PolarHBondContact O-N 3.5Å; D124-Y126 WeakPolarHBondContact OD1-CA 3.16Å; D124-Y126 WeakPolarHBondContact OD1-CB 3.15Å; D124-Y126 PolarHBondContact OD1-N 2.87Å
127	L	78.5	Confident	84.3	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.021	23%	0.225	C	C	.	.			trans	-113.3	60	175.3	-62.1	172.8	0	0	0	111.9	P29 H84 T94 D124 H129 L130	P29-L127 HydrophobicContact CB-CD1 4.07Å; P29-L127 HydrophobicContact CG-CD1 4.26Å; H84-L127 WeakPolarHBondContact CD2-CD2 3.47Å; H84-L127 VanDerWaalsContact CE1-CD1 3.44Å; H84-L127 WeakPolarHBondContact CE1-CD1 3.47Å; H84-L127 WeakPolarHBondContact NE2-CD1 3.09Å; H84-L127 VanDerWaalsContact NE2-CD2 3.26Å; H84-L127 WeakPolarHBondContact NE2-CD2 3.38Å; H84-L127 WeakPolarHBondContact NE2-CG 3.26Å; T94-L127 HydrophobicContact CG2-CD1 4.05Å; T94-L127 HydrophobicContact CG2-CD2 4.21Å; D124-L127 HydrophobicContact CB-CB 3.97Å; D124-L127 HydrophobicContact CB-CD1 4.36Å; D124-L127 HydrophobicContact CB-CG 4.44Å; D124-L127 CarbonylContact O-C 3.46Å; D124-L127 PolarHBondContact O-N 2.65Å; D124-L127 PolarHBondContact OD1-N 3.05Å; D124-L127 VanDerWaalsContact OD1-N 3.16Å; L127-H129 PolarHBondContact O-N 2.99Å; L127-L130 HydrophobicContact CB-CB 4.48Å; L127-L130 HydrophobicContact CB-CD1 3.76Å; L127-L130 HydrophobicContact CB-CG 4.01Å; L127-L130 HydrophobicContact CD1-CD1 3.44Å; L127-L130 VanDerWaalsContact CD1-CD1 3.44Å; L127-L130 HydrophobicContact CD1-CG 4.48Å; L127-L130 HydrophobicContact CG-CD1 4.18Å; L127-L130 PolarHBondContact O-N 2.94Å
128	T	75.1	Confident	84.4	Confident	94 Å²	94	38.7 Å²	38.7	58%	0.577	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.9	-171.4	58.7	0	0	0	0	115.4	P125	P125-T128 WeakPolarHBondContact O-CG2 3.21Å
129	H	77	Confident	84.3	Confident	128 Å²	128	36.1 Å²	36.1	59%	0.593	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.5	178.7	64.4	-85.9	0	0	0	113.9	L127	L127-H129 PolarHBondContact O-N 2.99Å
130	L	79.3	Confident	83.7	Confident	36 Å²	36	36.1 Å²	36.1	19%	0.188	18%	0.176	C	C	.	.	S	Bend	trans	-79.6	147.7	178.1	-65.3	-176.3	0	0	0	111.3	A96 L127	A96-L130 HydrophobicContact CB-CB 4.36Å; A96-L130 HydrophobicContact CB-CD1 4.37Å; L127-L130 HydrophobicContact CB-CB 4.48Å; L127-L130 HydrophobicContact CB-CD1 3.76Å; L127-L130 HydrophobicContact CB-CG 4.01Å; L127-L130 HydrophobicContact CD1-CD1 3.44Å; L127-L130 VanDerWaalsContact CD1-CD1 3.44Å; L127-L130 HydrophobicContact CD1-CG 4.48Å; L127-L130 HydrophobicContact CG-CD1 4.18Å; L127-L130 PolarHBondContact O-N 2.94Å
131	K	82.1	Confident	83.1	Confident	136 Å²	136	41.2 Å²	41.2	59%	0.591	20%	0.198	S	C	*	.	P	Polyproline II helix	trans	-65.4	140.2	175.6	-171.5	-173.6	170.3	-173.5	0	110.2
132	E	87.1	Confident	82.4	Confident	54 Å²	54	41.6 Å²	41.6	25%	0.252	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-61.8	140	169.8	-59.8	-175.2	156.1	0	0	110.9	C110 H122 K123	C110-E132 HydrophobicContact CB-CB 4.32Å; H122-E132 WeakPolarHBondContact O-CA 3.35Å; K123-E132 HydrophobicContact CB-CG 4.04Å; K123-E132 HydrophobicContact CD-CG 3.9Å; K123-E132 WeakPolarHBondContact CD-OE1 3.47Å; K123-E132 HydrophobicContact CG-CG 4.21Å
133	L	89.7	Confident	81.9	Confident	29 Å²	29	43.6 Å²	43.6	15%	0.152	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.2	177.5	-65.9	-176.5	0	0	0	110.9	A96 P103 C121 H122 C135	A96-L133 HydrophobicContact CB-CD1 3.47Å; A96-L133 VanDerWaalsContact CB-CD1 3.47Å; A96-L133 HydrophobicContact CB-CD2 4.11Å; A96-L133 HydrophobicContact CB-CG 3.64Å; A96-L133 WeakPolarHBondContact O-CD1 3.46Å; P103-L133 HydrophobicContact CB-CB 4.28Å; P103-L133 HydrophobicContact CB-CD1 4.23Å; P103-L133 HydrophobicContact CB-CD2 4.3Å; P103-L133 HydrophobicContact CG-CD1 4.4Å; C121-L133 CarbonylContact C-O 3.56Å; C121-L133 WeakPolarHBondContact CA-O 3.49Å; H122-L133 PolarHBondContact N-O 3Å; H122-L133 PolarHBondContact O-N 2.78Å; L133-C135 WeakPolarHBondContact CB-SG 3.45Å; L133-C135 PolarHBondContact O-N 3.22Å; L133-C135 VanDerWaalsContact O-N 3.14Å
134	C	91.6	Very high	81.5	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	96.2	167	-179.3	0	0	0	0	109.1	P103 L104 V106 C114 H119	P103-C134 CarbonylContact C-O 3.59Å; P103-C134 WeakPolarHBondContact CA-O 3.45Å; L104-C134 HydrophobicContact CB-CB 4.2Å; L104-C134 PolarHBondContact N-O 3.26Å; V106-C134 HydrophobicContact CB-CB 4.36Å; V106-C134 HydrophobicContact CG1-CB 3.86Å; V106-C134 HydrophobicContact CG2-CB 3.51Å; C114-C134 WeakPolarHBondContact CA-SG 3.43Å; C114-C134 HydrophobicContact CB-CB 3.7Å; C114-C134 WeakPolarHBondContact CB-SG 2.96Å; C114-C134 WeakPolarHBondContact SG-CA 3.21Å; C114-C134 WeakPolarHBondContact SG-CB 3.47Å; C114-C134 CovalentContact SG-SG 2.04Å; C114-C134 PolarHBondContact SG-SG 2.84Å; H119-C134 VanDerWaalsContact CB-SG 3.52Å
135	C	91.8	Very high	81.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	141.3	-172.1	-70.9	0	0	0	0	111.9	C98 H119 F120 H122 L133 R137	C98-C135 WeakPolarHBondContact CA-SG 3.37Å; C98-C135 HydrophobicContact CB-CB 3.57Å; C98-C135 WeakPolarHBondContact CB-SG 3.16Å; C98-C135 WeakPolarHBondContact SG-CA 3.28Å; C98-C135 WeakPolarHBondContact SG-CB 3.29Å; C98-C135 CovalentContact SG-SG 2.03Å; C98-C135 PolarHBondContact SG-SG 2.55Å; H119-C135 CarbonylContact C-O 3.43Å; H119-C135 WeakPolarHBondContact CA-O 3.41Å; H119-C135 WeakPolarHBondContact CB-O 3.49Å; H119-C135 VanDerWaalsContact CD2-C 3.45Å; F120-C135 HydrophobicContact CD1-CB 4.07Å; F120-C135 VanDerWaalsContact CD1-O 3.29Å; F120-C135 WeakPolarHBondContact CD1-O 3.01Å; F120-C135 HydrophobicContact CE1-CB 3.69Å; F120-C135 HydrophobicContact CZ-CB 4.16Å; F120-C135 PolarHBondContact N-O 2.05Å; F120-C135 PolarHBondContact O-N 3.4Å; H122-C135 HydrophobicContact CB-CB 3.89Å; H122-C135 WeakPolarHBondContact CB-SG 3.42Å; L133-C135 WeakPolarHBondContact CB-SG 3.45Å; L133-C135 PolarHBondContact O-N 3.22Å; L133-C135 VanDerWaalsContact O-N 3.14Å; C135-R137 PolarHBondContact O-N 3.16Å
136	P	90.7	Very high	81.4	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.013	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	134.5	168.4	-21.7	32.2	0	0	0	109.4	Y13 K102 H119 F120	Y13-P136 HydrophobicContact CD2-CB 3.45Å; Y13-P136 VanDerWaalsContact CD2-CB 3.45Å; Y13-P136 HydrophobicContact CD2-CG 3.67Å; Y13-P136 HydrophobicContact CE2-CB 3.47Å; Y13-P136 VanDerWaalsContact CE2-CB 3.47Å; Y13-P136 HydrophobicContact CE2-CG 3.19Å; Y13-P136 HydrophobicContact CG-CB 4.48Å; K102-P136 VanDerWaalsContact O-CD 3.25Å; K102-P136 WeakPolarHBondContact O-CD 3.46Å; K102-P136 WeakPolarHBondContact O-CG 3.02Å; H119-P136 VanDerWaalsContact CD2-N 3.32Å; F120-P136 WeakPolarHBondContact CE1-O 3.01Å
137	R	88.3	Confident	81.2	Confident	13 Å²	13	40.6 Å²	40.6	5%	0.049	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-69.3	142	172.3	-60.7	179.3	-179.9	-79	-7.8	109.4	N11 D65 D66 E116 T118 H119 F120 C135 C139	N11-R137 PolarHBondContact ND2-O 2.55Å; D65-R137 IonicContact OD1-NH1 2.69Å; D65-R137 PolarHBondContact OD1-NH1 2.78Å; D66-R137 IonicContact OD2-CZ 2.98Å; D66-R137 IonicContact OD2-NH1 2.75Å; D66-R137 PolarHBondContact OD2-NH1 3.1Å; D66-R137 IonicContact OD2-NH2 2.78Å; D66-R137 PolarHBondContact OD2-NH2 2.04Å; E116-R137 VanDerWaalsContact O-CZ 3.29Å; E116-R137 PolarHBondContact O-NE 3.19Å; E116-R137 PolarHBondContact O-NH2 2.97Å; T118-R137 PolarHBondContact O-N 2.03Å; H119-R137 VanDerWaalsContact O-CZ 3.3Å; H119-R137 PolarHBondContact O-NE 3.49Å; H119-R137 VanDerWaalsContact O-NE 3.09Å; H119-R137 PolarHBondContact O-NH2 3.23Å; F120-R137 HydrophobicContact CB-CG 4.11Å; F120-R137 HydrophobicContact CD1-CB 4.45Å; F120-R137 HydrophobicContact CD1-CG 3.99Å; F120-R137 HydrophobicContact CG-CG 4.48Å; C135-R137 PolarHBondContact O-N 3.16Å; R137-C139 WeakPolarHBondContact CB-O 3.19Å; R137-C139 VanDerWaalsContact CD-O 3.22Å; R137-C139 WeakPolarHBondContact CD-O 3.35Å; R137-C139 PolarHBondContact O-N 3.33Å
138	A	86.1	Confident	80.9	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.008	23%	0.234	C	C	.	.	S	Bend	trans	-57.7	-37.6	166.1	0	0	0	0	0	110.5	T14 P23 W26 V100 F145	T14-A138 VanDerWaalsContact CG2-O 3.22Å; T14-A138 WeakPolarHBondContact CG2-O 2.77Å; P23-A138 HydrophobicContact CG-CB 4.11Å; W26-A138 HydrophobicContact CH2-CB 4.24Å; V100-A138 HydrophobicContact CG2-CB 4.11Å; A138-F145 HydrophobicContact CB-CB 4.28Å; A138-F145 HydrophobicContact CB-CG 4.47Å
139	C	81.2	Confident	80.9	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.014	21%	0.212	C	C	.	.	S	Bend	trans	-125.4	144.5	177	-61.3	0	0	0	0	111.7	R137 F143 C150	R137-C139 WeakPolarHBondContact CB-O 3.19Å; R137-C139 VanDerWaalsContact CD-O 3.22Å; R137-C139 WeakPolarHBondContact CD-O 3.35Å; R137-C139 PolarHBondContact O-N 3.33Å; C139-F143 HydrophobicContact CB-CB 3.84Å; C139-C150 WeakPolarHBondContact CA-SG 3.4Å; C139-C150 HydrophobicContact CB-CB 3.76Å; C139-C150 WeakPolarHBondContact CB-SG 3.26Å; C139-C150 WeakPolarHBondContact SG-CA 3.39Å; C139-C150 WeakPolarHBondContact SG-CB 3.42Å; C139-C150 CovalentContact SG-SG 2.03Å; C139-C150 PolarHBondContact SG-SG 2.75Å
140	H	78.6	Confident	81	Confident	27 Å²	27	37.9 Å²	37.9	13%	0.125	19%	0.185	C	C	.	.			trans	-58.3	154.8	172.5	-71	-79.7	0	0	0	112.7	V2 N11 G142 F143	V2-H140 HydrophobicContact CG2-CB 3.16Å; N11-H140 PolarHBondContact N-NE2 2.9Å; H140-G142 PolarHBondContact O-N 3.12Å; H140-F143 WeakPolarHBondContact O-CB 3.21Å; H140-F143 PolarHBondContact O-N 3.26Å
141	K	74.4	Confident	80.9	Confident	113 Å²	113	39.6 Å²	39.6	49%	0.491	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	134.2	177.2	-170.7	171.7	-173.3	171.6	0	110.9	E116 K117	E116-K141 IonicContact OE2-NZ 2.88Å; E116-K141 PolarHBondContact OE2-NZ 3.02Å; K117-K141 PolarHBondContact O-N 2.89Å
142	G	75.5	Confident	80.6	Confident	37 Å²	37	36.3 Å²	36.3	38%	0.381	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	-11.7	-173.3	0	0	0	0	0	114.1	H140 R153	H140-G142 PolarHBondContact O-N 3.12Å; G142-R153 WeakPolarHBondContact O-CB 3.23Å; G142-R153 PolarHBondContact O-N 2.82Å
143	F	77.2	Confident	79.6	Confident	49 Å²	49	38.7 Å²	38.7	22%	0.215	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	160.6	174	-64.6	-103.4	0	0	0	110.1	M1 C139 H140 C150 M151 R153	M1-F143 WeakPolarHBondContact O-CE2 3.26Å; M1-F143 WeakPolarHBondContact O-CZ 3.36Å; C139-F143 HydrophobicContact CB-CB 3.84Å; H140-F143 WeakPolarHBondContact O-CB 3.21Å; H140-F143 PolarHBondContact O-N 3.26Å; F143-C150 HydrophobicContact CB-CB 4.22Å; F143-C150 HydrophobicContact CD1-CB 4.36Å; F143-M151 CarbonylContact C-O 3.39Å; F143-M151 WeakPolarHBondContact CA-O 3.49Å; F143-M151 VanDerWaalsContact CB-O 3.31Å; F143-M151 WeakPolarHBondContact CB-O 3.33Å; F143-M151 VanDerWaalsContact CD1-C 3.49Å; F143-R153 PolarHBondContact O-NE 2.89Å
144	Y	76	Confident	78.2	Confident	74 Å²	74	48.5 Å²	48.5	29%	0.29	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.6	166.4	71.7	-83.9	0	0	0	108.7	N146 C150 M151 R153	Y144-N146 HydrophobicContact CD2-CB 4.24Å; Y144-N146 HydrophobicContact CE2-CB 3.64Å; Y144-N146 PolarHBondContact O-N 2.87Å; Y144-C150 CarbonylContact O-C 3.59Å; Y144-C150 WeakPolarHBondContact O-CA 3.44Å; Y144-M151 HydrophobicContact CD1-CB 4.08Å; Y144-M151 WeakPolarHBondContact CD1-O 3.19Å; Y144-M151 HydrophobicContact CE1-CB 3.57Å; Y144-M151 HydrophobicContact CE2-CB 4.26Å; Y144-M151 PolarHBondContact N-O 2.78Å; Y144-M151 PolarHBondContact O-N 2.91Å; Y144-M151 PolarHBondContact OH-SD 3.09Å; Y144-R153 HydrophobicContact CD1-CG 3.81Å; Y144-R153 HydrophobicContact CG-CG 4.47Å
145	F	78.1	Confident	77.5	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.013	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121	170.3	-167	-105.6	0	0	0	108.6	P23 W26 L43 I64 N77 A138 G147 S149	P23-F145 HydrophobicContact CG-CD2 4.34Å; P23-F145 HydrophobicContact CG-CE2 3.91Å; P23-F145 HydrophobicContact CG-CZ 4.13Å; W26-F145 AromaticContact CH2-CD1 3.92Å; W26-F145 HydrophobicContact CH2-CD1 3.92Å; W26-F145 AromaticContact CH2-CE1 3.61Å; W26-F145 HydrophobicContact CH2-CE1 3.61Å; W26-F145 HydrophobicContact CH2-CG 4.48Å; W26-F145 HydrophobicContact CH2-CZ 4.07Å; W26-F145 HydrophobicContact CZ2-CD1 4.08Å; W26-F145 AromaticContact CZ2-CE1 3.3Å; W26-F145 HydrophobicContact CZ2-CE1 3.3Å; W26-F145 HydrophobicContact CZ2-CE2 4.37Å; W26-F145 AromaticContact CZ2-CZ 3.5Å; W26-F145 HydrophobicContact CZ2-CZ 3.5Å; W26-F145 VanDerWaalsContact CZ2-CZ 3.5Å; L43-F145 HydrophobicContact CD2-CE1 3.97Å; I64-F145 HydrophobicContact CD1-CB 3.71Å; I64-F145 HydrophobicContact CD1-CD1 3.18Å; I64-F145 HydrophobicContact CD1-CE1 4.03Å; I64-F145 HydrophobicContact CD1-CG 3.78Å; N77-F145 WeakPolarHBondContact CB-O 3.5Å; N77-F145 PolarHBondContact ND2-O 2.97Å; A138-F145 HydrophobicContact CB-CB 4.28Å; A138-F145 HydrophobicContact CB-CG 4.47Å; F145-G147 VanDerWaalsContact C-N 3.29Å; F145-G147 VanDerWaalsContact CD1-N 3.29Å; F145-G147 WeakPolarHBondContact CE1-O 3.14Å; F145-G147 WeakPolarHBondContact CZ-O 3.39Å; F145-S149 WeakPolarHBondContact CA-O 3.33Å
146	N	74.9	Confident	76.7	Confident	42 Å²	42	53.6 Å²	53.6	23%	0.225	27%	0.271	C	S	.	.			trans	-86.2	-2.4	-179.7	75.2	-8.6	0	0	0	113.4	Y144 F148 S149 M151	Y144-N146 HydrophobicContact CD2-CB 4.24Å; Y144-N146 HydrophobicContact CE2-CB 3.64Å; Y144-N146 PolarHBondContact O-N 2.87Å; N146-F148 PolarHBondContact OD1-N 2.58Å; N146-S149 PolarHBondContact N-O 3.42Å; N146-S149 PolarHBondContact ND2-OG 3.39Å; N146-S149 PolarHBondContact OD1-N 3.07Å; N146-S149 PolarHBondContact OD1-O 3.33Å; N146-S149 VanDerWaalsContact OD1-O 3.11Å; N146-S149 PolarHBondContact OD1-OG 2.81Å; N146-M151 HydrophobicContact CB-CG 4.01Å; N146-M151 HydrophobicContact CB-SD 3.74Å; N146-M151 PolarHBondContact ND2-SD 2.88Å
147	G	71.9	Confident	75.9	Confident	8 Å²	8	56.4 Å²	56.4	8%	0.082	29%	0.285	C	S	.	.	S	Bend	trans	118.8	-34.2	-171.5	0	0	0	0	0	113	L43 F145	L43-G147 VanDerWaalsContact CD1-CA 3.45Å; L43-G147 WeakPolarHBondContact CD1-O 3.41Å; L43-G147 WeakPolarHBondContact CD2-O 3.05Å; L43-G147 WeakPolarHBondContact CG-O 3.4Å; F145-G147 VanDerWaalsContact C-N 3.29Å; F145-G147 VanDerWaalsContact CD1-N 3.29Å; F145-G147 WeakPolarHBondContact CE1-O 3.14Å; F145-G147 WeakPolarHBondContact CZ-O 3.39Å
148	F	72.6	Confident	75.2	Confident	149 Å²	149	59 Å²	59	65%	0.654	30%	0.299	S	S	*	.	S	Bend	trans	-121.9	-29.8	-176.7	-56	-81.2	0	0	0	111.9	L43 N146	L43-F148 HydrophobicContact CD1-CD1 4.07Å; L43-F148 HydrophobicContact CD1-CD2 4.37Å; L43-F148 HydrophobicContact CD1-CE1 3.72Å; L43-F148 HydrophobicContact CD1-CE2 4.05Å; L43-F148 HydrophobicContact CD1-CG 4.38Å; L43-F148 HydrophobicContact CD1-CZ 3.71Å; N146-F148 PolarHBondContact OD1-N 2.58Å
149	S	75.7	Confident	74.5	Confident	14 Å²	14	62.6 Å²	62.6	10%	0.098	32%	0.317	C	S	.	.	S	Bend	trans	-149.8	156.9	-173	61.4	0	0	0	0	112.6	F20 F145 N146 M151	F20-S149 VanDerWaalsContact CD1-CB 3.47Å; F20-S149 VanDerWaalsContact CG-CB 3.45Å; F145-S149 WeakPolarHBondContact CA-O 3.33Å; N146-S149 PolarHBondContact N-O 3.42Å; N146-S149 PolarHBondContact ND2-OG 3.39Å; N146-S149 PolarHBondContact OD1-N 3.07Å; N146-S149 PolarHBondContact OD1-O 3.33Å; N146-S149 VanDerWaalsContact OD1-O 3.11Å; N146-S149 PolarHBondContact OD1-OG 2.81Å; S149-M151 PolarHBondContact O-N 3.06Å
150	C	79.1	Confident	74.1	Confident	6 Å²	6	66.7 Å²	66.7	4%	0.041	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	111.5	166.3	-64.7	0	0	0	0	110.9	C21 C139 F143 Y144	C21-C150 PolarHBondContact O-SG 3.21Å; C139-C150 WeakPolarHBondContact CA-SG 3.4Å; C139-C150 HydrophobicContact CB-CB 3.76Å; C139-C150 WeakPolarHBondContact CB-SG 3.26Å; C139-C150 WeakPolarHBondContact SG-CA 3.39Å; C139-C150 WeakPolarHBondContact SG-CB 3.42Å; C139-C150 CovalentContact SG-SG 2.03Å; C139-C150 PolarHBondContact SG-SG 2.75Å; F143-C150 HydrophobicContact CB-CB 4.22Å; F143-C150 HydrophobicContact CD1-CB 4.36Å; Y144-C150 CarbonylContact O-C 3.59Å; Y144-C150 WeakPolarHBondContact O-CA 3.44Å
151	M	75.9	Confident	73.8	Confident	72 Å²	72	69.5 Å²	69.5	36%	0.355	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	146.3	175.2	-64.4	-165.4	77.5	0	0	111.3	F143 Y144 N146 S149	F143-M151 CarbonylContact C-O 3.39Å; F143-M151 WeakPolarHBondContact CA-O 3.49Å; F143-M151 VanDerWaalsContact CB-O 3.31Å; F143-M151 WeakPolarHBondContact CB-O 3.33Å; F143-M151 VanDerWaalsContact CD1-C 3.49Å; Y144-M151 HydrophobicContact CD1-CB 4.08Å; Y144-M151 WeakPolarHBondContact CD1-O 3.19Å; Y144-M151 HydrophobicContact CE1-CB 3.57Å; Y144-M151 HydrophobicContact CE2-CB 4.26Å; Y144-M151 PolarHBondContact N-O 2.78Å; Y144-M151 PolarHBondContact O-N 2.91Å; Y144-M151 PolarHBondContact OH-SD 3.09Å; N146-M151 HydrophobicContact CB-CG 4.01Å; N146-M151 HydrophobicContact CB-SD 3.74Å; N146-M151 PolarHBondContact ND2-SD 2.88Å; S149-M151 PolarHBondContact O-N 3.06Å
152	S	75.6	Confident	73.7	Confident	67 Å²	67	66.2 Å²	66.2	47%	0.469	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	136.9	175.7	-170.3	0	0	0	0	110.5	L154	S152-L154 PolarHBondContact O-N 2.91Å
153	R	67.4	Low	73.6	Confident	104 Å²	104	68.6 Å²	68.6	39%	0.392	34%	0.339	S	S	.	.			trans	-78.6	101.7	163.1	-60.5	179.6	-174.1	-152.9	-0.7	105.8	D65 G142 F143 Y144	D65-R153 IonicContact OD1-NH2 3.85Å; D65-R153 IonicContact OD2-CZ 3.12Å; D65-R153 IonicContact OD2-NH2 2.64Å; D65-R153 PolarHBondContact OD2-NH2 2.97Å; G142-R153 WeakPolarHBondContact O-CB 3.23Å; G142-R153 PolarHBondContact O-N 2.82Å; F143-R153 PolarHBondContact O-NE 2.89Å; Y144-R153 HydrophobicContact CD1-CG 3.81Å; Y144-R153 HydrophobicContact CG-CG 4.47Å
154	L	58.6	Low	73.3	Confident	235 Å²	235	70.4 Å²	70.4	100%	1.23	35%	0.35	S	S	*	.			trans	-58.9	0	174.8	-70.9	172.8	0	0	0	111.1	S152	S152-L154 PolarHBondContact O-N 2.91Å

Retrieved 154 of 154 residues in 98.4 ms (Link to these results)

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