A0A077ZL72_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077ZL72, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 222 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.3	Very low	56.2	Low	218 Å²	218	116.6 Å²	116.6	100%	1.074	59%	0.591	S	S	*	*				0	114.3	0	-91.6	178.2	-178.5	0	0	107.8
2	E	41.2	Very low	59.1	Low	175 Å²	175	107.2 Å²	107.2	82%	0.818	54%	0.544	S	S	*	.			trans	-85.8	112.1	172.5	-155	175.7	-171.4	0	0	107.3	V4	E2-V4 PolarHBondContact O-N 2.67Å
3	F	49.7	Very low	61.8	Low	85 Å²	85	105 Å²	105	37%	0.373	53%	0.531	S	S	.	.			trans	-74.8	114.8	177.1	-66.2	-79.8	0	0	0	108.1	S5 P99 V102 T117	F3-S5 VanDerWaalsContact C-N 3.31Å; F3-S5 PolarHBondContact O-N 2.86Å; F3-P99 HydrophobicContact CD1-CB 3.59Å; F3-P99 HydrophobicContact CD1-CG 4.09Å; F3-P99 HydrophobicContact CE1-CB 4.02Å; F3-P99 HydrophobicContact CE1-CG 4.49Å; F3-P99 HydrophobicContact CG-CB 4.32Å; F3-P99 HydrophobicContact CG-CG 4.41Å; F3-V102 HydrophobicContact CE1-CG2 3.84Å; F3-V102 HydrophobicContact CZ-CG2 4.2Å; F3-T117 HydrophobicContact CD2-CG2 3.96Å; F3-T117 HydrophobicContact CE2-CG2 4.27Å
4	V	44.8	Very low	64.2	Low	144 Å²	144	98.1 Å²	98.1	87%	0.873	50%	0.496	S	S	*	.			trans	-65.2	96.3	170.5	-177.6	0	0	0	0	107.4	E2 G6	E2-V4 PolarHBondContact O-N 2.67Å; V4-G6 PolarHBondContact O-N 3.04Å
5	S	46.8	Very low	66.2	Low	48 Å²	48	99.1 Å²	99.1	34%	0.336	49%	0.493	S	S	.	.			trans	-71	80.2	172.9	-166.2	0	0	0	0	107.6	F3 K118	F3-S5 VanDerWaalsContact C-N 3.31Å; F3-S5 PolarHBondContact O-N 2.86Å; S5-K118 VanDerWaalsContact CB-O 3.3Å; S5-K118 WeakPolarHBondContact CB-O 3.35Å; S5-K118 PolarHBondContact OG-O 2.94Å
6	G	46.3	Very low	68	Low	40 Å²	40	95.7 Å²	95.7	41%	0.412	48%	0.48	S	S	.	.			trans	-56.3	144.2	160.1	0	0	0	0	0	107.9	V4 R8	V4-G6 PolarHBondContact O-N 3.04Å; G6-R8 PolarHBondContact O-N 2.99Å
7	S	55.4	Low	69.4	Low	107 Å²	107	95.1 Å²	95.1	75%	0.748	48%	0.482	S	S	*	.	S	Bend	trans	-59.4	28.7	-175.6	52.6	0	0	0	0	116.5	K9	S7-K9 PolarHBondContact O-N 2.86Å
8	R	61	Low	70.5	Confident	114 Å²	114	96.3 Å²	96.3	43%	0.43	49%	0.49	S	S	.	.			trans	-73.6	98.9	-175.9	-61.2	-175.2	177.7	-143.2	-4.7	109.6	G6 D42 V97	G6-R8 PolarHBondContact O-N 2.99Å; R8-D42 IonicContact CZ-OD2 3.82Å; R8-D42 VanDerWaalsContact NH1-CG 3.3Å; R8-D42 IonicContact NH1-OD1 2.99Å; R8-D42 PolarHBondContact NH1-OD1 2.83Å; R8-D42 IonicContact NH1-OD2 2.83Å; R8-D42 PolarHBondContact NH1-OD2 2.97Å; R8-V97 HydrophobicContact CB-CB 4.44Å; R8-V97 HydrophobicContact CB-CG2 4.08Å; R8-V97 WeakPolarHBondContact O-CG2 3.3Å
9	K	66.5	Low	71.6	Confident	169 Å²	169	93.4 Å²	93.4	74%	0.735	48%	0.478	S	S	*	.			trans	-76.6	139	168.6	-65.8	-178.7	179.9	179	0	109.2	S7	S7-K9 PolarHBondContact O-N 2.86Å
10	T	76.6	Confident	72.7	Confident	6 Å²	6	88.9 Å²	88.9	4%	0.037	45%	0.454	C	S	.	.			trans	-68	142	172.5	59.2	0	0	0	0	110.4	A12 I44 H96 V97	T10-A12 VanDerWaalsContact C-N 3.31Å; T10-I44 HydrophobicContact CG2-CB 4.42Å; T10-I44 HydrophobicContact CG2-CG2 3.65Å; T10-H96 VanDerWaalsContact CG2-CA 3.44Å; T10-V97 HydrophobicContact CG2-CB 4.42Å; T10-V97 HydrophobicContact CG2-CG2 3.56Å; T10-V97 VanDerWaalsContact CG2-N 3.28Å
11	R	88.8	Confident	73.5	Confident	177 Å²	177	88.4 Å²	88.4	67%	0.668	45%	0.45	S	S	*	.			trans	-98.6	51.7	164.3	-67	-176.6	68	-178.6	0.3	109.8	G39	R11-G39 VanDerWaalsContact O-CA 3.32Å; R11-G39 WeakPolarHBondContact O-CA 3.5Å; R11-G39 PolarHBondContact O-N 3.29Å
12	A	90.9	Very high	75.8	Confident	3 Å²	3	78 Å²	78	3%	0.025	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	146.1	175.6	0	0	0	0	0	111.1	T10 L36 Y37 I44 Y124	T10-A12 VanDerWaalsContact C-N 3.31Å; A12-L36 HydrophobicContact CB-CD1 4.11Å; A12-Y37 CarbonylContact C-O 3.59Å; A12-Y37 WeakPolarHBondContact CA-O 3.45Å; A12-I44 HydrophobicContact CB-CD1 3.76Å; A12-Y124 WeakPolarHBondContact CA-OH 3.2Å; A12-Y124 HydrophobicContact CB-CE2 4.34Å; A12-Y124 VanDerWaalsContact CB-OH 3.26Å; A12-Y124 WeakPolarHBondContact CB-OH 3.44Å; A12-Y124 WeakPolarHBondContact O-CE1 3.25Å; A12-Y124 VanDerWaalsContact O-CZ 3.3Å; A12-Y124 PolarHBondContact O-OH 3.1Å
13	E	93.8	Very high	77.8	Confident	79 Å²	79	72.1 Å²	72.1	37%	0.369	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.4	175.5	-65.6	175.6	-161.6	0	0	109	Y15 Y37	E13-Y15 HydrophobicContact CB-CE2 3.82Å; E13-Y15 PolarHBondContact OE2-OH 2.63Å; E13-Y37 HydrophobicContact CB-CD1 4.45Å; E13-Y37 PolarHBondContact N-O 3.14Å; E13-Y37 PolarHBondContact O-N 3.14Å
14	V	95.9	Very high	78.9	Confident	8 Å²	8	72.4 Å²	72.4	5%	0.048	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.3	-178	179	0	0	0	0	107.8	P16 I34 W35 L36 V93 Y124 L126	V14-P16 CarbonylContact C-O 3.43Å; V14-P16 CarbonylContact O-C 3.54Å; V14-I34 HydrophobicContact CG1-CG2 3.66Å; V14-W35 CarbonylContact C-O 3.55Å; V14-W35 WeakPolarHBondContact CA-O 3.11Å; V14-L36 HydrophobicContact CG2-CD1 3.82Å; V14-V93 HydrophobicContact CG1-CG2 3.99Å; V14-V93 HydrophobicContact CG2-CB 4.09Å; V14-V93 HydrophobicContact CG2-CG1 4.22Å; V14-V93 HydrophobicContact CG2-CG2 4.21Å; V14-Y124 HydrophobicContact CB-CD1 4.22Å; V14-Y124 HydrophobicContact CB-CG 4.26Å; V14-Y124 HydrophobicContact CG2-CD1 3.77Å; V14-Y124 HydrophobicContact CG2-CD2 3.87Å; V14-Y124 HydrophobicContact CG2-CE1 4.27Å; V14-Y124 HydrophobicContact CG2-CE2 4.41Å; V14-Y124 HydrophobicContact CG2-CG 3.53Å; V14-L126 HydrophobicContact CG1-CD1 4.06Å; V14-L126 HydrophobicContact CG1-CD2 4.41Å
15	Y	94.8	Very high	80	Confident	113 Å²	113	70.5 Å²	70.5	44%	0.443	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.3	174.6	-62.7	-86.2	0	0	0	109.4	E13 V17 I34 W35	E13-Y15 HydrophobicContact CB-CE2 3.82Å; E13-Y15 PolarHBondContact OE2-OH 2.63Å; Y15-V17 HydrophobicContact CD1-CG2 4.07Å; Y15-V17 HydrophobicContact CE1-CG2 4.14Å; Y15-I34 CarbonylContact O-C 3.59Å; Y15-I34 WeakPolarHBondContact O-CA 3.46Å; Y15-W35 PolarHBondContact N-O 3.5Å; Y15-W35 PolarHBondContact O-N 2.97Å
16	P	94.5	Very high	80.7	Confident	45 Å²	45	74.7 Å²	74.7	29%	0.292	38%	0.378	S	S	.	.	S	Bend	cis	-63.9	157.7	-3.5	28.9	-34.7	0	0	0	112.3	V14 T19 I20 L126	V14-P16 CarbonylContact C-O 3.43Å; V14-P16 CarbonylContact O-C 3.54Å; P16-T19 WeakPolarHBondContact CB-O 3.11Å; P16-T19 WeakPolarHBondContact CG-O 3.38Å; P16-I20 HydrophobicContact CG-CB 4.35Å; P16-L126 WeakPolarHBondContact O-CD2 3.16Å
17	V	91	Very high	81.5	Confident	85 Å²	85	78.3 Å²	78.3	52%	0.515	39%	0.387	S	S	.	.	S	Bend	trans	-78.1	-37.6	-172.2	178.4	0	0	0	0	111.9	Y15 L126	Y15-V17 HydrophobicContact CD1-CG2 4.07Å; Y15-V17 HydrophobicContact CE1-CG2 4.14Å; V17-L126 VanDerWaalsContact O-CD2 3.29Å; V17-L126 WeakPolarHBondContact O-CD2 3.31Å
18	D	89.9	Confident	82.1	Confident	118 Å²	118	78.8 Å²	78.8	63%	0.631	38%	0.381	S	S	*	.	S	Bend	trans	-121.4	-38.2	-169.5	-60.1	-51	0	0	0	113.8	L126 G127	D18-L126 CarbonylContact O-C 3.49Å; D18-L126 VanDerWaalsContact O-CA 3.24Å; D18-L126 WeakPolarHBondContact O-CA 3.33Å; D18-G127 PolarHBondContact O-N 3Å
19	T	92.1	Very high	83.1	Confident	41 Å²	41	74.6 Å²	74.6	25%	0.252	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130.9	-171.9	-57.5	0	0	0	0	111.3	P16 G127 M129	P16-T19 WeakPolarHBondContact CB-O 3.11Å; P16-T19 WeakPolarHBondContact CG-O 3.38Å; T19-G127 CarbonylContact C-O 3.59Å; T19-G127 VanDerWaalsContact CA-O 3.32Å; T19-G127 WeakPolarHBondContact CA-O 3.5Å; T19-M129 HydrophobicContact CG2-CB 3.91Å; T19-M129 HydrophobicContact CG2-CG 3.54Å; T19-M129 HydrophobicContact CG2-SD 3.72Å
20	I	92	Very high	84	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.2	168.3	-172.3	175	0	0	0	109.8	P16 F22 A32 I34 F58 G127 V128 M129	P16-I20 HydrophobicContact CG-CB 4.35Å; I20-F22 HydrophobicContact CD1-CE2 4.15Å; I20-F22 HydrophobicContact CD1-CZ 4.23Å; I20-F22 HydrophobicContact CG1-CE2 4.33Å; I20-F22 HydrophobicContact CG2-CD2 4.49Å; I20-F22 HydrophobicContact CG2-CE2 3.97Å; I20-A32 HydrophobicContact CD1-CB 3.3Å; I20-A32 HydrophobicContact CG1-CB 3.33Å; I20-I34 HydrophobicContact CD1-CD1 3.83Å; I20-I34 HydrophobicContact CD1-CG1 3.53Å; I20-I34 HydrophobicContact CG1-CG1 4.46Å; I20-F58 HydrophobicContact CD1-CE1 4.49Å; I20-G127 WeakPolarHBondContact CG2-O 3.49Å; I20-G127 PolarHBondContact N-O 2.85Å; I20-V128 HydrophobicContact CG2-CB 4.44Å; I20-V128 HydrophobicContact CG2-CG2 3.88Å; I20-M129 PolarHBondContact O-N 2.91Å
21	H	90.5	Very high	84.7	Confident	80 Å²	80	68.9 Å²	68.9	37%	0.37	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120	176.8	-73	-102.9	0	0	0	109.5	A32 M129 D131	H21-A32 WeakPolarHBondContact O-CB 3.32Å; H21-M129 WeakPolarHBondContact CA-O 3.29Å; H21-D131 IonicContact CE1-OD1 3.87Å; H21-D131 IonicContact CG-OD1 3.62Å; H21-D131 IonicContact ND1-OD1 2.71Å; H21-D131 PolarHBondContact ND1-OD1 3.46Å
22	F	88.6	Confident	84.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.5	171	-78.3	-90.1	0	0	0	108.4	I20 Q30 L31 A32 I56 C77 V128 M129 F130 D131	I20-F22 HydrophobicContact CD1-CE2 4.15Å; I20-F22 HydrophobicContact CD1-CZ 4.23Å; I20-F22 HydrophobicContact CG1-CE2 4.33Å; I20-F22 HydrophobicContact CG2-CD2 4.49Å; I20-F22 HydrophobicContact CG2-CE2 3.97Å; F22-Q30 HydrophobicContact CB-CB 3.82Å; F22-Q30 HydrophobicContact CD1-CB 4.29Å; F22-Q30 PolarHBondContact O-OE1 3.31Å; F22-L31 WeakPolarHBondContact CA-O 3.4Å; F22-A32 HydrophobicContact CD1-CB 3.67Å; F22-A32 HydrophobicContact CD2-CB 4.11Å; F22-A32 HydrophobicContact CE1-CB 3.77Å; F22-A32 HydrophobicContact CE2-CB 4.2Å; F22-A32 HydrophobicContact CG-CB 3.86Å; F22-A32 HydrophobicContact CZ-CB 4.04Å; F22-I56 HydrophobicContact CE2-CD1 4.28Å; F22-I56 HydrophobicContact CZ-CD1 4.43Å; F22-I56 HydrophobicContact CZ-CG1 4.43Å; F22-I56 HydrophobicContact CZ-CG2 4.03Å; F22-C77 HydrophobicContact CD1-CB 3.57Å; F22-C77 HydrophobicContact CE1-CB 3.69Å; F22-C77 HydrophobicContact CG-CB 4.06Å; F22-C77 HydrophobicContact CZ-CB 4.26Å; F22-V128 HydrophobicContact CD2-CG1 3.78Å; F22-V128 HydrophobicContact CE2-CG1 3.84Å; F22-M129 PolarHBondContact N-O 3.35Å; F22-F130 HydrophobicContact CB-CD1 3.7Å; F22-F130 HydrophobicContact CB-CE1 3.98Å; F22-F130 HydrophobicContact CD2-CE1 4.19Å; F22-F130 HydrophobicContact CG-CD1 4.39Å; F22-F130 HydrophobicContact CG-CE1 4.18Å; F22-D131 PolarHBondContact O-N 2.91Å
23	S	83.6	Confident	85.1	Confident	51 Å²	51	62.5 Å²	62.5	36%	0.357	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.6	176.4	-41.9	0	0	0	0	109	I25 Q30 L31 D131	S23-I25 PolarHBondContact O-N 3.38Å; S23-Q30 VanDerWaalsContact O-CA 3.29Å; S23-Q30 WeakPolarHBondContact O-CA 3.35Å; S23-L31 PolarHBondContact N-O 3.07Å; S23-L31 PolarHBondContact O-N 3.22Å; S23-D131 PolarHBondContact OG-OD2 3.18Å
24	R	73.6	Confident	85.2	Confident	90 Å²	90	58.8 Å²	58.8	34%	0.34	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.3	178.5	-165.5	176	-169.3	-156.7	-4.3	109.1	D27 Q30 S134	R24-D27 IonicContact CZ-OD1 3.53Å; R24-D27 VanDerWaalsContact NH2-CA 3.32Å; R24-D27 PolarHBondContact NH2-O 3.07Å; R24-D27 IonicContact NH2-OD1 3.59Å; R24-D27 PolarHBondContact NH2-OD1 2.86Å; R24-Q30 HydrophobicContact CB-CG 4.46Å; R24-S134 PolarHBondContact O-OG 2.93Å
25	I	66.9	Low	85.3	Confident	105 Å²	105	63.6 Å²	63.6	54%	0.538	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-41.1	178.7	-68	-177.5	0	0	0	110.9	S23 T29 L31	S23-I25 PolarHBondContact O-N 3.38Å; I25-T29 PolarHBondContact N-O 2.95Å; I25-L31 HydrophobicContact CD1-CB 3.64Å; I25-L31 HydrophobicContact CD1-CD1 3.42Å; I25-L31 VanDerWaalsContact CD1-CD1 3.42Å; I25-L31 HydrophobicContact CD1-CG 3.6Å
26	L	61.2	Low	85.4	Confident	136 Å²	136	58.2 Å²	58.2	71%	0.712	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.7	153.7	174.2	-71.8	173.2	0	0	0	107.6	I28 T29	L26-I28 PolarHBondContact O-N 3.1Å; L26-T29 PolarHBondContact O-N 3.33Å
27	D	63.4	Low	85.5	Confident	115 Å²	115	59.6 Å²	59.6	62%	0.615	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-36.7	-23.3	-154.6	-79.7	-48.9	0	0	0	120.3	R24	R24-D27 IonicContact CZ-OD1 3.53Å; R24-D27 VanDerWaalsContact NH2-CA 3.32Å; R24-D27 PolarHBondContact NH2-O 3.07Å; R24-D27 IonicContact NH2-OD1 3.59Å; R24-D27 PolarHBondContact NH2-OD1 2.86Å
28	I	68.7	Low	85.8	Confident	118 Å²	118	55.5 Å²	55.5	61%	0.605	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-16.1	-170.2	-46.8	172.5	0	0	0	112.2	L26	L26-I28 PolarHBondContact O-N 3.1Å
29	T	81.1	Confident	86	Confident	26 Å²	26	50.3 Å²	50.3	16%	0.16	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.7	-172.1	-65	0	0	0	0	112.5	I25 L26 L31 R76	I25-T29 PolarHBondContact N-O 2.95Å; L26-T29 PolarHBondContact O-N 3.33Å; T29-L31 HydrophobicContact CG2-CD2 4.04Å; T29-R76 HydrophobicContact CG2-CG 3.4Å; T29-R76 VanDerWaalsContact CG2-CG 3.4Å; T29-R76 PolarHBondContact OG1-NE 2.95Å; T29-R76 PolarHBondContact OG1-NH2 3.35Å
30	Q	86.8	Confident	85.9	Confident	5 Å²	5	48.9 Å²	48.9	2%	0.023	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.8	174.1	-44.5	-175	52.1	0	0	108.9	F22 S23 R24 C77 R79 F130	F22-Q30 HydrophobicContact CB-CB 3.82Å; F22-Q30 HydrophobicContact CD1-CB 4.29Å; F22-Q30 PolarHBondContact O-OE1 3.31Å; S23-Q30 VanDerWaalsContact O-CA 3.29Å; S23-Q30 WeakPolarHBondContact O-CA 3.35Å; R24-Q30 HydrophobicContact CB-CG 4.46Å; Q30-C77 HydrophobicContact CB-CB 4.36Å; Q30-C77 PolarHBondContact N-O 2.92Å; Q30-C77 PolarHBondContact O-N 3.33Å; Q30-R79 PolarHBondContact NE2-O 3.16Å; Q30-F130 VanDerWaalsContact OE1-CD1 3.23Å
31	L	90.9	Very high	85.9	Confident	50 Å²	50	53.8 Å²	53.8	26%	0.262	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	151.2	178.7	-63.3	-173.2	0	0	0	111.4	F22 S23 I25 T29 L74 G75 R76	F22-L31 WeakPolarHBondContact CA-O 3.4Å; S23-L31 PolarHBondContact N-O 3.07Å; S23-L31 PolarHBondContact O-N 3.22Å; I25-L31 HydrophobicContact CD1-CB 3.64Å; I25-L31 HydrophobicContact CD1-CD1 3.42Å; I25-L31 VanDerWaalsContact CD1-CD1 3.42Å; I25-L31 HydrophobicContact CD1-CG 3.6Å; T29-L31 HydrophobicContact CG2-CD2 4.04Å; L31-L74 HydrophobicContact CB-CD1 4.37Å; L31-L74 HydrophobicContact CD1-CD1 4.24Å; L31-L74 HydrophobicContact CD1-CD2 4.43Å; L31-L74 HydrophobicContact CD2-CD2 4.38Å; L31-L74 HydrophobicContact CD2-CG 4.44Å; L31-G75 WeakPolarHBondContact CA-O 3.24Å; L31-R76 HydrophobicContact CD2-CB 3.94Å; L31-R76 HydrophobicContact CD2-CG 3.94Å
32	A	92.9	Very high	86	Confident	6 Å²	6	51.8 Å²	51.8	5%	0.05	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	161	171.9	0	0	0	0	0	110.7	I20 H21 F22 G75	I20-A32 HydrophobicContact CD1-CB 3.3Å; I20-A32 HydrophobicContact CG1-CB 3.33Å; H21-A32 WeakPolarHBondContact O-CB 3.32Å; F22-A32 HydrophobicContact CD1-CB 3.67Å; F22-A32 HydrophobicContact CD2-CB 4.11Å; F22-A32 HydrophobicContact CE1-CB 3.77Å; F22-A32 HydrophobicContact CE2-CB 4.2Å; F22-A32 HydrophobicContact CG-CB 3.86Å; F22-A32 HydrophobicContact CZ-CB 4.04Å; A32-G75 PolarHBondContact N-O 2.83Å; A32-G75 PolarHBondContact O-N 2.9Å
33	S	94.6	Very high	86.1	Confident	40 Å²	40	53.9 Å²	53.9	28%	0.28	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.5	179.1	-65.3	0	0	0	0	111.4	K72 I73	S33-K72 WeakPolarHBondContact OG-CE 3.2Å; S33-I73 WeakPolarHBondContact CA-O 3.29Å
34	I	97	Very high	86.6	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.2	169.5	-59.2	168.7	0	0	0	107.9	V14 Y15 I20 L48 F58 K72 I73 V93 L126	V14-I34 HydrophobicContact CG1-CG2 3.66Å; Y15-I34 CarbonylContact O-C 3.59Å; Y15-I34 WeakPolarHBondContact O-CA 3.46Å; I20-I34 HydrophobicContact CD1-CD1 3.83Å; I20-I34 HydrophobicContact CD1-CG1 3.53Å; I20-I34 HydrophobicContact CG1-CG1 4.46Å; I34-L48 HydrophobicContact CD1-CD2 3.66Å; I34-F58 HydrophobicContact CD1-CD1 4.39Å; I34-F58 HydrophobicContact CD1-CE1 3.71Å; I34-F58 HydrophobicContact CD1-CZ 4.22Å; I34-K72 CarbonylContact O-C 3.52Å; I34-I73 HydrophobicContact CB-CB 4.38Å; I34-I73 PolarHBondContact N-O 2.9Å; I34-I73 PolarHBondContact O-N 2.85Å; I34-V93 HydrophobicContact CG2-CG2 4.29Å; I34-L126 HydrophobicContact CD1-CD1 3.81Å; I34-L126 HydrophobicContact CG1-CD1 4.16Å
35	W	97.4	Very high	87.6	Confident	109 Å²	109	47.1 Å²	47.1	41%	0.413	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.8	171.1	-63.4	90	0	0	0	109.3	V14 Y15 I70 K71 K72	V14-W35 CarbonylContact C-O 3.55Å; V14-W35 WeakPolarHBondContact CA-O 3.11Å; Y15-W35 PolarHBondContact N-O 3.5Å; Y15-W35 PolarHBondContact O-N 2.97Å; W35-I70 HydrophobicContact CB-CD1 4.22Å; W35-I70 HydrophobicContact CD2-CD1 4.35Å; W35-I70 HydrophobicContact CE3-CD1 3.66Å; W35-I70 HydrophobicContact CE3-CG1 3.92Å; W35-I70 HydrophobicContact CZ3-CD1 4.36Å; W35-K71 WeakPolarHBondContact CA-O 3.38Å; W35-K72 HydrophobicContact CD2-CB 4.24Å; W35-K72 HydrophobicContact CD2-CG 4.34Å; W35-K72 HydrophobicContact CE3-CB 3.89Å; W35-K72 HydrophobicContact CE3-CG 4.45Å; W35-K72 HydrophobicContact CH2-CB 3.97Å; W35-K72 HydrophobicContact CH2-CD 3.96Å; W35-K72 HydrophobicContact CH2-CG 4.2Å; W35-K72 HydrophobicContact CZ2-CB 4.28Å; W35-K72 HydrophobicContact CZ2-CD 3.77Å; W35-K72 HydrophobicContact CZ2-CG 4.03Å; W35-K72 HydrophobicContact CZ3-CB 3.76Å; W35-K72 HydrophobicContact CZ3-CG 4.4Å
36	L	97.4	Very high	88.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.6	174.2	176.1	65.3	0	0	0	108.8	A12 V14 I44 Y46 L65 I70 K71 I73 V93	A12-L36 HydrophobicContact CB-CD1 4.11Å; V14-L36 HydrophobicContact CG2-CD1 3.82Å; L36-I44 HydrophobicContact CD2-CD1 4.45Å; L36-Y46 VanDerWaalsContact CD2-CB 3.49Å; L36-Y46 HydrophobicContact CD2-CD1 3.62Å; L36-Y46 HydrophobicContact CD2-CD2 4.05Å; L36-Y46 HydrophobicContact CD2-CE1 4.37Å; L36-Y46 HydrophobicContact CD2-CG 3.43Å; L36-Y46 VanDerWaalsContact CD2-CG 3.43Å; L36-L65 HydrophobicContact CB-CD2 4.38Å; L36-L65 HydrophobicContact CD2-CD2 3.98Å; L36-L65 HydrophobicContact CG-CD2 3.73Å; L36-L65 WeakPolarHBondContact O-CD2 3.24Å; L36-I70 CarbonylContact O-C 3.57Å; L36-I70 WeakPolarHBondContact O-CA 3.47Å; L36-K71 PolarHBondContact N-O 2.97Å; L36-K71 PolarHBondContact O-N 3.46Å; L36-I73 HydrophobicContact CB-CD1 4.08Å; L36-V93 HydrophobicContact CD1-CG1 4.27Å; L36-V93 HydrophobicContact CD2-CG1 4.47Å
37	Y	97.1	Very high	90.5	Very high	73 Å²	73	39 Å²	39	29%	0.286	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.3	174.2	174.4	-118.5	0	0	0	110.6	A12 E13 G39 R69 I70	A12-Y37 CarbonylContact C-O 3.59Å; A12-Y37 WeakPolarHBondContact CA-O 3.45Å; E13-Y37 HydrophobicContact CB-CD1 4.45Å; E13-Y37 PolarHBondContact N-O 3.14Å; E13-Y37 PolarHBondContact O-N 3.14Å; Y37-G39 VanDerWaalsContact CE1-CA 3.45Å; Y37-R69 WeakPolarHBondContact CD2-O 3.44Å; Y37-I70 HydrophobicContact CD2-CB 4.28Å
38	N	96.4	Very high	92.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	96.2	171.2	-179.5	11.4	0	0	0	110.3	S40 D42 I44 L65 P66 F68 R69	N38-S40 PolarHBondContact O-N 2.58Å; N38-S40 WeakPolarHBondContact OD1-CB 3.46Å; N38-S40 PolarHBondContact OD1-N 2.96Å; N38-S40 PolarHBondContact OD1-OG 2.84Å; N38-D42 PolarHBondContact ND2-O 2.94Å; N38-I44 HydrophobicContact CB-CD1 3.89Å; N38-I44 HydrophobicContact CB-CG1 4.18Å; N38-L65 HydrophobicContact CB-CB 4.48Å; N38-L65 HydrophobicContact CB-CD2 3.73Å; N38-L65 HydrophobicContact CB-CG 3.8Å; N38-L65 PolarHBondContact ND2-O 3.28Å; N38-P66 PolarHBondContact ND2-O 2.74Å; N38-P66 VanDerWaalsContact ND2-O 3.08Å; N38-F68 WeakPolarHBondContact O-CA 3.43Å; N38-F68 PolarHBondContact O-N 3.41Å; N38-R69 PolarHBondContact N-O 2.85Å
39	G	94	Very high	93.3	Very high	9 Å²	9	34.9 Å²	34.9	9%	0.093	18%	0.175	C	C	.	.			trans	-83.9	13.5	174.1	0	0	0	0	0	114.5	R11 Y37	R11-G39 VanDerWaalsContact O-CA 3.32Å; R11-G39 WeakPolarHBondContact O-CA 3.5Å; R11-G39 PolarHBondContact O-N 3.29Å; Y37-G39 VanDerWaalsContact CE1-CA 3.45Å
40	S	90.8	Very high	94	Very high	10 Å²	10	35 Å²	35	7%	0.07	18%	0.176	C	C	.	.	S	Bend	trans	-98.6	161	177.2	76.2	0	0	0	0	112.1	N38 D42 P67	N38-S40 PolarHBondContact O-N 2.58Å; N38-S40 WeakPolarHBondContact OD1-CB 3.46Å; N38-S40 PolarHBondContact OD1-N 2.96Å; N38-S40 PolarHBondContact OD1-OG 2.84Å; S40-D42 PolarHBondContact O-N 2.82Å; S40-D42 PolarHBondContact OG-O 2.91Å; S40-P67 WeakPolarHBondContact O-CA 3.48Å; S40-P67 WeakPolarHBondContact O-CB 3.37Å
41	T	91.8	Very high	94.3	Very high	106 Å²	106	38.9 Å²	38.9	65%	0.65	20%	0.2	S	C	*	.	S	Bend	trans	-77.8	-9.6	174.7	53	0	0	0	0	113.2	P67 F68	T41-P67 WeakPolarHBondContact O-CG 3.27Å; T41-F68 HydrophobicContact CG2-CE2 4.34Å; T41-F68 HydrophobicContact CG2-CZ 3.83Å
42	D	91.4	Very high	94.3	Very high	37 Å²	37	37.1 Å²	37.1	20%	0.198	19%	0.192	C	C	.	.	S	Bend	trans	-106.1	149.8	-179.8	-65	-50.7	0	0	0	110	R8 N38 S40 V97	R8-D42 IonicContact CZ-OD2 3.82Å; R8-D42 VanDerWaalsContact NH1-CG 3.3Å; R8-D42 IonicContact NH1-OD1 2.99Å; R8-D42 PolarHBondContact NH1-OD1 2.83Å; R8-D42 IonicContact NH1-OD2 2.83Å; R8-D42 PolarHBondContact NH1-OD2 2.97Å; N38-D42 PolarHBondContact ND2-O 2.94Å; S40-D42 PolarHBondContact O-N 2.82Å; S40-D42 PolarHBondContact OG-O 2.91Å; D42-V97 HydrophobicContact CB-CG1 3.57Å
43	S	92.1	Very high	94.3	Very high	44 Å²	44	40.7 Å²	40.7	31%	0.308	21%	0.214	S	C	.	.			trans	-65	143.8	169	-63.3	0	0	0	0	109.8	L65 L98	S43-L65 WeakPolarHBondContact CA-O 3.29Å; S43-L98 VanDerWaalsContact O-CB 3.29Å; S43-L98 WeakPolarHBondContact O-CB 3.23Å; S43-L98 PolarHBondContact O-N 2.84Å
44	I	93.2	Very high	94	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.1	174	66.7	176.5	0	0	0	110.5	T10 A12 L36 N38 F64 L65 A95 H96	T10-I44 HydrophobicContact CG2-CB 4.42Å; T10-I44 HydrophobicContact CG2-CG2 3.65Å; A12-I44 HydrophobicContact CB-CD1 3.76Å; L36-I44 HydrophobicContact CD2-CD1 4.45Å; N38-I44 HydrophobicContact CB-CD1 3.89Å; N38-I44 HydrophobicContact CB-CG1 4.18Å; I44-F64 CarbonylContact O-C 3.49Å; I44-F64 WeakPolarHBondContact O-CA 3.21Å; I44-L65 HydrophobicContact CD1-CB 4.28Å; I44-L65 HydrophobicContact CD1-CD2 4.26Å; I44-L65 HydrophobicContact CG1-CB 3.76Å; I44-L65 PolarHBondContact N-O 3.5Å; I44-L65 PolarHBondContact O-N 2.87Å; I44-A95 HydrophobicContact CD1-CB 4.29Å; I44-H96 VanDerWaalsContact CA-O 3.27Å; I44-H96 WeakPolarHBondContact CA-O 3.43Å; I44-H96 WeakPolarHBondContact CB-O 3.32Å
45	A	93.8	Very high	93.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	140.7	162.1	0	0	0	0	0	108.5	G63 F64 A95 H96 L98 Y110 W111	A45-G63 WeakPolarHBondContact CA-O 3.36Å; A45-F64 HydrophobicContact CB-CD1 3.77Å; A45-F64 HydrophobicContact CB-CE1 3.75Å; A45-A95 VanDerWaalsContact O-CA 3.24Å; A45-A95 WeakPolarHBondContact O-CA 3.28Å; A45-H96 PolarHBondContact N-O 2.97Å; A45-H96 PolarHBondContact O-N 3.15Å; A45-H96 VanDerWaalsContact O-N 3.14Å; A45-L98 HydrophobicContact CB-CD1 4.44Å; A45-Y110 HydrophobicContact CB-CD1 4.08Å; A45-Y110 HydrophobicContact CB-CE1 3.37Å; A45-W111 HydrophobicContact CB-CZ2 4.03Å
46	Y	94.8	Very high	93.5	Very high	6 Å²	6	39.7 Å²	39.7	2%	0.024	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	152.3	176	70.4	-91.7	0	0	0	112.1	L36 L48 P60 Y62 G63 L65 I73 V94 W111	L36-Y46 VanDerWaalsContact CD2-CB 3.49Å; L36-Y46 HydrophobicContact CD2-CD1 3.62Å; L36-Y46 HydrophobicContact CD2-CD2 4.05Å; L36-Y46 HydrophobicContact CD2-CE1 4.37Å; L36-Y46 HydrophobicContact CD2-CG 3.43Å; L36-Y46 VanDerWaalsContact CD2-CG 3.43Å; Y46-L48 HydrophobicContact CD2-CD1 3.89Å; Y46-L48 HydrophobicContact CE2-CD1 4.01Å; Y46-P60 VanDerWaalsContact OH-CG 3.23Å; Y46-P60 WeakPolarHBondContact OH-CG 3.26Å; Y46-Y62 VanDerWaalsContact CE2-C 3.43Å; Y46-Y62 CarbonylContact O-C 3.58Å; Y46-Y62 WeakPolarHBondContact O-CA 3.4Å; Y46-Y62 WeakPolarHBondContact O-CB 3.02Å; Y46-Y62 PolarHBondContact OH-O 3.08Å; Y46-G63 VanDerWaalsContact CD1-O 3.28Å; Y46-G63 WeakPolarHBondContact CD1-O 3.43Å; Y46-G63 VanDerWaalsContact CE1-C 3.4Å; Y46-G63 PolarHBondContact N-O 3.14Å; Y46-G63 PolarHBondContact O-N 2.84Å; Y46-L65 HydrophobicContact CD1-CB 4.22Å; Y46-L65 HydrophobicContact CE1-CB 4.37Å; Y46-I73 HydrophobicContact CD2-CD1 4.42Å; Y46-I73 HydrophobicContact CE2-CD1 4.14Å; Y46-I73 HydrophobicContact CE2-CG1 4.4Å; Y46-V94 CarbonylContact C-O 3.54Å; Y46-V94 WeakPolarHBondContact CA-O 3.19Å; Y46-W111 PolarHBondContact O-NE1 3.05Å
47	K	95.3	Very high	93.3	Very high	65 Å²	65	45.2 Å²	45.2	28%	0.283	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	135.3	172.7	175.6	171.9	-177.8	171.7	0	110.4	V94 W111	K47-V94 PolarHBondContact N-O 3.08Å; K47-V94 PolarHBondContact O-N 2.85Å; K47-W111 HydrophobicContact CB-CD2 3.85Å; K47-W111 HydrophobicContact CB-CE3 4.18Å; K47-W111 HydrophobicContact CB-CG 4.47Å; K47-W111 HydrophobicContact CB-CH2 3.88Å; K47-W111 HydrophobicContact CB-CZ2 3.55Å; K47-W111 HydrophobicContact CB-CZ3 4.19Å; K47-W111 HydrophobicContact CD-CD2 3.93Å; K47-W111 HydrophobicContact CD-CE3 3.95Å; K47-W111 HydrophobicContact CD-CG 4.19Å; K47-W111 HydrophobicContact CD-CZ3 4.47Å
48	L	95.9	Very high	93.3	Very high	16 Å²	16	42.6 Å²	42.6	8%	0.084	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	140	174.2	-66.2	91.8	0	0	0	110.3	I34 Y46 F58 G61 I73 T92 V93	I34-L48 HydrophobicContact CD1-CD2 3.66Å; Y46-L48 HydrophobicContact CD2-CD1 3.89Å; Y46-L48 HydrophobicContact CE2-CD1 4.01Å; L48-F58 HydrophobicContact CB-CB 4.11Å; L48-F58 HydrophobicContact CB-CD2 3.52Å; L48-F58 HydrophobicContact CB-CE2 4.06Å; L48-F58 HydrophobicContact CB-CG 3.86Å; L48-F58 HydrophobicContact CD2-CB 4.05Å; L48-F58 HydrophobicContact CD2-CD1 3.54Å; L48-F58 HydrophobicContact CD2-CD2 3.9Å; L48-F58 HydrophobicContact CD2-CE1 3.86Å; L48-F58 HydrophobicContact CD2-CE2 4.18Å; L48-F58 HydrophobicContact CD2-CG 3.55Å; L48-F58 HydrophobicContact CD2-CZ 4.15Å; L48-F58 HydrophobicContact CG-CB 4.46Å; L48-F58 HydrophobicContact CG-CD2 4.34Å; L48-F58 HydrophobicContact CG-CG 4.25Å; L48-G61 WeakPolarHBondContact CD1-O 3.31Å; L48-G61 PolarHBondContact N-O 3.43Å; L48-I73 HydrophobicContact CD1-CD1 3.92Å; L48-I73 HydrophobicContact CD1-CG1 4.34Å; L48-I73 HydrophobicContact CD1-CG2 3.97Å; L48-I73 HydrophobicContact CD2-CD1 4.4Å; L48-I73 HydrophobicContact CD2-CG2 3.68Å; L48-T92 WeakPolarHBondContact CA-O 3.36Å; L48-V93 HydrophobicContact CD2-CG2 4.33Å; L48-V93 HydrophobicContact CG-CG2 4.36Å
49	R	95	Very high	93.2	Very high	129 Å²	129	52 Å²	52	49%	0.487	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153.8	173.4	-59.3	-172.2	-176.9	-164.1	2.5	109	C91 T92	R49-C91 CarbonylContact O-C 3.54Å; R49-C91 VanDerWaalsContact O-CA 3.28Å; R49-C91 WeakPolarHBondContact O-CA 3.3Å; R49-T92 PolarHBondContact N-O 2.77Å; R49-T92 PolarHBondContact O-N 2.75Å
50	T	94.7	Very high	93.3	Very high	30 Å²	30	53.6 Å²	53.6	18%	0.184	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.9	173.9	174.3	0	0	0	0	109	S52 P53 I56 R90	T50-S52 PolarHBondContact OG1-N 2.83Å; T50-P53 HydrophobicContact CG2-CB 4.11Å; T50-I56 HydrophobicContact CG2-CB 4.1Å; T50-I56 HydrophobicContact CG2-CG2 4.32Å; T50-R90 CarbonylContact C-O 3.57Å; T50-R90 VanDerWaalsContact CA-O 3.3Å; T50-R90 WeakPolarHBondContact CA-O 3.28Å
51	T	93.2	Very high	93.5	Very high	85 Å²	85	54 Å²	54	52%	0.521	29%	0.288	S	S	.	.	S	Bend	trans	-70.4	-21.8	168.7	51	0	0	0	0	112.7	P53 E89 R90	T51-P53 VanDerWaalsContact O-CD 3.27Å; T51-P53 WeakPolarHBondContact O-CD 3.46Å; T51-E89 WeakPolarHBondContact OG1-CA 3.39Å; T51-R90 HydrophobicContact CG2-CB 4.01Å; T51-R90 PolarHBondContact N-O 3Å; T51-R90 PolarHBondContact OG1-N 2.96Å; T51-R90 PolarHBondContact OG1-O 2.84Å
52	S	90.9	Very high	93.6	Very high	14 Å²	14	52.7 Å²	52.7	10%	0.098	27%	0.272	C	S	.	.			trans	-120.5	65.7	-176.8	-55.2	0	0	0	0	111.3	T50 A54 E55 I56 E89	T50-S52 PolarHBondContact OG1-N 2.83Å; S52-A54 PolarHBondContact O-N 3.01Å; S52-E55 PolarHBondContact O-N 3.04Å; S52-E55 VanDerWaalsContact O-N 3.14Å; S52-I56 PolarHBondContact O-N 2.88Å; S52-E89 VanDerWaalsContact CB-OE1 3.25Å; S52-E89 WeakPolarHBondContact CB-OE1 3.32Å; S52-E89 PolarHBondContact OG-OE1 2.83Å
53	P	92.5	Very high	93.7	Very high	80 Å²	80	51.1 Å²	51.1	52%	0.519	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-15.3	-175	28.8	-36.5	0	0	0	113.8	T50 T51 K57	T50-P53 HydrophobicContact CG2-CB 4.11Å; T51-P53 VanDerWaalsContact O-CD 3.27Å; T51-P53 WeakPolarHBondContact O-CD 3.46Å; P53-K57 WeakPolarHBondContact O-CE 3.47Å; P53-K57 PolarHBondContact O-NZ 2.84Å
54	A	90.3	Very high	93.8	Very high	80 Å²	80	52 Å²	52	66%	0.661	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-41.1	172.4	0	0	0	0	0	111.2	S52	S52-A54 PolarHBondContact O-N 3.01Å
55	E	89.6	Confident	93.9	Very high	46 Å²	46	52.2 Å²	52.2	22%	0.215	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-37.8	-171.4	-66.7	155.7	-144.7	0	0	112.4	S52 C77 T78 R79	S52-E55 PolarHBondContact O-N 3.04Å; S52-E55 VanDerWaalsContact O-N 3.14Å; E55-C77 VanDerWaalsContact O-CA 3.31Å; E55-C77 WeakPolarHBondContact O-CA 3.35Å; E55-T78 PolarHBondContact O-N 2.75Å; E55-T78 PolarHBondContact O-OG1 3.31Å; E55-R79 HydrophobicContact CB-CB 4.32Å; E55-R79 HydrophobicContact CG-CB 4.3Å; E55-R79 WeakPolarHBondContact OE2-CD 3.38Å; E55-R79 WeakPolarHBondContact OE2-CG 3.2Å; E55-R79 IonicContact OE2-NE 2.77Å; E55-R79 IonicContact OE2-NH1 3.83Å
56	I	92.7	Very high	93.9	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.8	-177.2	-62.4	174.4	0	0	0	110.7	F22 T50 S52 F58 R76 C77 E89 V128	F22-I56 HydrophobicContact CE2-CD1 4.28Å; F22-I56 HydrophobicContact CZ-CD1 4.43Å; F22-I56 HydrophobicContact CZ-CG1 4.43Å; F22-I56 HydrophobicContact CZ-CG2 4.03Å; T50-I56 HydrophobicContact CG2-CB 4.1Å; T50-I56 HydrophobicContact CG2-CG2 4.32Å; S52-I56 PolarHBondContact O-N 2.88Å; I56-F58 HydrophobicContact CG2-CD2 4.38Å; I56-F58 HydrophobicContact CG2-CE1 4.33Å; I56-F58 HydrophobicContact CG2-CE2 3.77Å; I56-F58 HydrophobicContact CG2-CZ 3.75Å; I56-R76 CarbonylContact C-O 3.57Å; I56-R76 WeakPolarHBondContact CA-O 3.12Å; I56-C77 HydrophobicContact CG1-CB 4.11Å; I56-E89 WeakPolarHBondContact CD1-OE2 3.33Å; I56-V128 HydrophobicContact CD1-CG1 4.15Å; I56-V128 HydrophobicContact CD1-CG2 4.22Å
57	K	94.5	Very high	93.9	Very high	116 Å²	116	56.9 Å²	56.9	50%	0.504	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.9	175.7	-58.1	-62.1	-173.8	-177.9	0	111	P53 G75 R76	P53-K57 WeakPolarHBondContact O-CE 3.47Å; P53-K57 PolarHBondContact O-NZ 2.84Å; K57-G75 WeakPolarHBondContact O-CA 3.3Å; K57-R76 PolarHBondContact N-O 2.98Å; K57-R76 PolarHBondContact O-N 2.9Å
58	F	95.9	Very high	93.9	Very high	18 Å²	18	59.4 Å²	59.4	8%	0.079	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	138.8	176	-66.6	-69.2	0	0	0	112	I20 I34 L48 I56 G61 I73 L74 C91	I20-F58 HydrophobicContact CD1-CE1 4.49Å; I34-F58 HydrophobicContact CD1-CD1 4.39Å; I34-F58 HydrophobicContact CD1-CE1 3.71Å; I34-F58 HydrophobicContact CD1-CZ 4.22Å; L48-F58 HydrophobicContact CB-CB 4.11Å; L48-F58 HydrophobicContact CB-CD2 3.52Å; L48-F58 HydrophobicContact CB-CE2 4.06Å; L48-F58 HydrophobicContact CB-CG 3.86Å; L48-F58 HydrophobicContact CD2-CB 4.05Å; L48-F58 HydrophobicContact CD2-CD1 3.54Å; L48-F58 HydrophobicContact CD2-CD2 3.9Å; L48-F58 HydrophobicContact CD2-CE1 3.86Å; L48-F58 HydrophobicContact CD2-CE2 4.18Å; L48-F58 HydrophobicContact CD2-CG 3.55Å; L48-F58 HydrophobicContact CD2-CZ 4.15Å; L48-F58 HydrophobicContact CG-CB 4.46Å; L48-F58 HydrophobicContact CG-CD2 4.34Å; L48-F58 HydrophobicContact CG-CG 4.25Å; I56-F58 HydrophobicContact CG2-CD2 4.38Å; I56-F58 HydrophobicContact CG2-CE1 4.33Å; I56-F58 HydrophobicContact CG2-CE2 3.77Å; I56-F58 HydrophobicContact CG2-CZ 3.75Å; F58-G61 WeakPolarHBondContact O-CA 3.23Å; F58-G61 PolarHBondContact O-N 2.86Å; F58-I73 HydrophobicContact CB-CG2 4.13Å; F58-I73 HydrophobicContact CD1-CG2 4.11Å; F58-L74 CarbonylContact C-O 3.56Å; F58-L74 WeakPolarHBondContact CA-O 3.18Å; F58-C91 HydrophobicContact CE2-CB 4.38Å; F58-C91 HydrophobicContact CZ-CB 3.94Å; F58-C91 WeakPolarHBondContact CZ-SG 3.41Å
59	R	95.3	Very high	94	Very high	197 Å²	197	66.4 Å²	66.4	74%	0.743	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	118.4	175.9	-67.9	-65.2	-175.5	160.4	0.6	110.9	L74	R59-L74 PolarHBondContact N-O 2.99Å; R59-L74 PolarHBondContact O-N 2.87Å
60	P	95.4	Very high	94.1	Very high	44 Å²	44	64.9 Å²	64.9	29%	0.286	33%	0.332	S	S	.	.	S	Bend	cis	-66.5	142.3	-13.5	31.6	-36.2	0	0	0	111.3	Y46 I73	Y46-P60 VanDerWaalsContact OH-CG 3.23Å; Y46-P60 WeakPolarHBondContact OH-CG 3.26Å; P60-I73 HydrophobicContact CG-CG1 4.46Å; P60-I73 WeakPolarHBondContact O-CG2 3.11Å
61	G	94.8	Very high	94.2	Very high	19 Å²	19	67.7 Å²	67.7	20%	0.196	34%	0.341	C	S	.	.	S	Bend	trans	-83.1	-15.7	-179.8	0	0	0	0	0	114.3	L48 F58	L48-G61 WeakPolarHBondContact CD1-O 3.31Å; L48-G61 PolarHBondContact N-O 3.43Å; F58-G61 WeakPolarHBondContact O-CA 3.23Å; F58-G61 PolarHBondContact O-N 2.86Å
62	Y	94.4	Very high	94.4	Very high	78 Å²	78	68.8 Å²	68.8	31%	0.306	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	171.4	175.5	46	-89.5	0	0	0	108.3	Y46 D107 Y108	Y46-Y62 VanDerWaalsContact CE2-C 3.43Å; Y46-Y62 CarbonylContact O-C 3.58Å; Y46-Y62 WeakPolarHBondContact O-CA 3.4Å; Y46-Y62 WeakPolarHBondContact O-CB 3.02Å; Y46-Y62 PolarHBondContact OH-O 3.08Å; Y62-D107 HydrophobicContact CD2-CB 3.7Å; Y62-D107 WeakPolarHBondContact CD2-OD2 3.48Å; Y62-D107 HydrophobicContact CE2-CB 4.09Å; Y62-D107 VanDerWaalsContact CE2-OD1 3.24Å; Y62-D107 WeakPolarHBondContact CE2-OD1 3.44Å; Y62-D107 WeakPolarHBondContact CE2-OD2 3.27Å; Y62-Y108 HydrophobicContact CE1-CD2 4.39Å; Y62-Y108 VanDerWaalsContact CE2-N 3.33Å; Y62-Y108 AromaticContact CZ-CD2 3.96Å
63	G	94.4	Very high	94.7	Very high	3 Å²	3	68.1 Å²	68.1	3%	0.031	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162	-171.5	175.4	0	0	0	0	0	113.4	A45 Y46 D107	A45-G63 WeakPolarHBondContact CA-O 3.36Å; Y46-G63 VanDerWaalsContact CD1-O 3.28Å; Y46-G63 WeakPolarHBondContact CD1-O 3.43Å; Y46-G63 VanDerWaalsContact CE1-C 3.4Å; Y46-G63 PolarHBondContact N-O 3.14Å; Y46-G63 PolarHBondContact O-N 2.84Å; G63-D107 WeakPolarHBondContact CA-OD2 3.15Å
64	F	94	Very high	94.9	Very high	62 Å²	62	67.7 Å²	67.7	27%	0.272	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142.1	173.1	-53.8	-66.8	0	0	0	110.4	I44 A45 L98 A104 D107 Y110	I44-F64 CarbonylContact O-C 3.49Å; I44-F64 WeakPolarHBondContact O-CA 3.21Å; A45-F64 HydrophobicContact CB-CD1 3.77Å; A45-F64 HydrophobicContact CB-CE1 3.75Å; F64-L98 HydrophobicContact CD1-CD1 4Å; F64-L98 HydrophobicContact CD1-CD2 4.3Å; F64-L98 HydrophobicContact CE1-CD1 3.74Å; F64-A104 HydrophobicContact CD2-CB 3.97Å; F64-A104 HydrophobicContact CE1-CB 3.85Å; F64-A104 HydrophobicContact CE2-CB 3.16Å; F64-A104 HydrophobicContact CZ-CB 3.1Å; F64-D107 HydrophobicContact CD2-CB 4.22Å; F64-D107 HydrophobicContact CE2-CB 3.59Å; F64-D107 HydrophobicContact CZ-CB 4Å; F64-Y110 AromaticContact CE1-CD1 3.62Å; F64-Y110 HydrophobicContact CE1-CD1 3.62Å; F64-Y110 HydrophobicContact CE1-CD2 4.33Å; F64-Y110 AromaticContact CE1-CE1 3.96Å; F64-Y110 HydrophobicContact CE1-CE1 3.96Å; F64-Y110 AromaticContact CE1-CG 3.82Å; F64-Y110 HydrophobicContact CE1-CG 3.82Å; F64-Y110 AromaticContact CZ-CD1 3.86Å; F64-Y110 HydrophobicContact CZ-CD1 3.86Å; F64-Y110 HydrophobicContact CZ-CD2 4.31Å; F64-Y110 AromaticContact CZ-CG 3.68Å; F64-Y110 HydrophobicContact CZ-CG 3.68Å
65	L	94.7	Very high	95.1	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	112.5	177.3	-172.9	58.8	0	0	0	109.4	L36 N38 S43 I44 Y46 R69 K71	L36-L65 HydrophobicContact CB-CD2 4.38Å; L36-L65 HydrophobicContact CD2-CD2 3.98Å; L36-L65 HydrophobicContact CG-CD2 3.73Å; L36-L65 WeakPolarHBondContact O-CD2 3.24Å; N38-L65 HydrophobicContact CB-CB 4.48Å; N38-L65 HydrophobicContact CB-CD2 3.73Å; N38-L65 HydrophobicContact CB-CG 3.8Å; N38-L65 PolarHBondContact ND2-O 3.28Å; S43-L65 WeakPolarHBondContact CA-O 3.29Å; I44-L65 HydrophobicContact CD1-CB 4.28Å; I44-L65 HydrophobicContact CD1-CD2 4.26Å; I44-L65 HydrophobicContact CG1-CB 3.76Å; I44-L65 PolarHBondContact N-O 3.5Å; I44-L65 PolarHBondContact O-N 2.87Å; Y46-L65 HydrophobicContact CD1-CB 4.22Å; Y46-L65 HydrophobicContact CE1-CB 4.37Å; L65-R69 HydrophobicContact CD1-CB 3.66Å; L65-R69 HydrophobicContact CG-CB 4.34Å; L65-K71 HydrophobicContact CD1-CB 3.93Å; L65-K71 HydrophobicContact CD2-CB 4.47Å
66	P	94	Very high	95.2	Very high	65 Å²	65	67.9 Å²	67.9	42%	0.422	31%	0.309	S	S	.	.			trans	-61.2	164.8	177.3	-23.4	33.8	0	0	0	112.9	N38 F68 R69	N38-P66 PolarHBondContact ND2-O 2.74Å; N38-P66 VanDerWaalsContact ND2-O 3.08Å; P66-F68 PolarHBondContact O-N 2.87Å; P66-R69 HydrophobicContact CB-CG 3.93Å; P66-R69 HydrophobicContact CG-CG 4.35Å; P66-R69 PolarHBondContact O-N 3.04Å
67	P	94.8	Very high	95	Very high	39 Å²	39	67.7 Å²	67.7	25%	0.253	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	138	173.5	-27.4	36	0	0	0	112.4	S40 T41 R69	S40-P67 WeakPolarHBondContact O-CA 3.48Å; S40-P67 WeakPolarHBondContact O-CB 3.37Å; T41-P67 WeakPolarHBondContact O-CG 3.27Å; P67-R69 PolarHBondContact O-N 2.83Å; P67-R69 VanDerWaalsContact O-N 3.14Å
68	F	95.7	Very high	94.7	Very high	119 Å²	119	65.1 Å²	65.1	52%	0.522	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	27.8	174.3	-45.9	-65	0	0	0	114.6	N38 T41 P66	N38-F68 WeakPolarHBondContact O-CA 3.43Å; N38-F68 PolarHBondContact O-N 3.41Å; T41-F68 HydrophobicContact CG2-CE2 4.34Å; T41-F68 HydrophobicContact CG2-CZ 3.83Å; P66-F68 PolarHBondContact O-N 2.87Å
69	R	97.4	Very high	93.7	Very high	163 Å²	163	65.1 Å²	65.1	62%	0.615	30%	0.302	S	S	*	.			trans	-108.9	153.2	175.2	-64.8	-58.4	-172.4	167.1	0.5	111.4	Y37 N38 L65 P66 P67	Y37-R69 WeakPolarHBondContact CD2-O 3.44Å; N38-R69 PolarHBondContact N-O 2.85Å; L65-R69 HydrophobicContact CD1-CB 3.66Å; L65-R69 HydrophobicContact CG-CB 4.34Å; P66-R69 HydrophobicContact CB-CG 3.93Å; P66-R69 HydrophobicContact CG-CG 4.35Å; P66-R69 PolarHBondContact O-N 3.04Å; P67-R69 PolarHBondContact O-N 2.83Å; P67-R69 VanDerWaalsContact O-N 3.14Å
70	I	96.7	Very high	92.3	Very high	96 Å²	96	59.3 Å²	59.3	49%	0.492	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144.6	172.8	-163	174.4	0	0	0	109.8	W35 L36 Y37	W35-I70 HydrophobicContact CB-CD1 4.22Å; W35-I70 HydrophobicContact CD2-CD1 4.35Å; W35-I70 HydrophobicContact CE3-CD1 3.66Å; W35-I70 HydrophobicContact CE3-CG1 3.92Å; W35-I70 HydrophobicContact CZ3-CD1 4.36Å; L36-I70 CarbonylContact O-C 3.57Å; L36-I70 WeakPolarHBondContact O-CA 3.47Å; Y37-I70 HydrophobicContact CD2-CB 4.28Å
71	K	97.5	Very high	90.7	Very high	90 Å²	90	58.6 Å²	58.6	39%	0.391	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.9	176.9	-171.2	69.6	174.1	-175	0	110.3	W35 L36 L65 I73	W35-K71 WeakPolarHBondContact CA-O 3.38Å; L36-K71 PolarHBondContact N-O 2.97Å; L36-K71 PolarHBondContact O-N 3.46Å; L65-K71 HydrophobicContact CD1-CB 3.93Å; L65-K71 HydrophobicContact CD2-CB 4.47Å; K71-I73 HydrophobicContact CG-CG1 4.41Å
72	K	97.6	Very high	89	Confident	108 Å²	108	64.9 Å²	64.9	47%	0.47	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.7	165.9	-169.7	180	-178	178.6	0	109.5	S33 I34 W35	S33-K72 WeakPolarHBondContact OG-CE 3.2Å; I34-K72 CarbonylContact O-C 3.52Å; W35-K72 HydrophobicContact CD2-CB 4.24Å; W35-K72 HydrophobicContact CD2-CG 4.34Å; W35-K72 HydrophobicContact CE3-CB 3.89Å; W35-K72 HydrophobicContact CE3-CG 4.45Å; W35-K72 HydrophobicContact CH2-CB 3.97Å; W35-K72 HydrophobicContact CH2-CD 3.96Å; W35-K72 HydrophobicContact CH2-CG 4.2Å; W35-K72 HydrophobicContact CZ2-CB 4.28Å; W35-K72 HydrophobicContact CZ2-CD 3.77Å; W35-K72 HydrophobicContact CZ2-CG 4.03Å; W35-K72 HydrophobicContact CZ3-CB 3.76Å; W35-K72 HydrophobicContact CZ3-CG 4.4Å
73	I	97.4	Very high	87.2	Confident	0 Å²	0	67 Å²	67	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.3	175	-63.3	142.7	0	0	0	107.4	S33 I34 L36 Y46 L48 F58 P60 K71	S33-I73 WeakPolarHBondContact CA-O 3.29Å; I34-I73 HydrophobicContact CB-CB 4.38Å; I34-I73 PolarHBondContact N-O 2.9Å; I34-I73 PolarHBondContact O-N 2.85Å; L36-I73 HydrophobicContact CB-CD1 4.08Å; Y46-I73 HydrophobicContact CD2-CD1 4.42Å; Y46-I73 HydrophobicContact CE2-CD1 4.14Å; Y46-I73 HydrophobicContact CE2-CG1 4.4Å; L48-I73 HydrophobicContact CD1-CD1 3.92Å; L48-I73 HydrophobicContact CD1-CG1 4.34Å; L48-I73 HydrophobicContact CD1-CG2 3.97Å; L48-I73 HydrophobicContact CD2-CD1 4.4Å; L48-I73 HydrophobicContact CD2-CG2 3.68Å; F58-I73 HydrophobicContact CB-CG2 4.13Å; F58-I73 HydrophobicContact CD1-CG2 4.11Å; P60-I73 HydrophobicContact CG-CG1 4.46Å; P60-I73 WeakPolarHBondContact O-CG2 3.11Å; K71-I73 HydrophobicContact CG-CG1 4.41Å
74	L	95.2	Very high	85.4	Confident	71 Å²	71	71.5 Å²	71.5	37%	0.372	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.1	177.8	-171.7	71.6	0	0	0	109.5	L31 F58 R59	L31-L74 HydrophobicContact CB-CD1 4.37Å; L31-L74 HydrophobicContact CD1-CD1 4.24Å; L31-L74 HydrophobicContact CD1-CD2 4.43Å; L31-L74 HydrophobicContact CD2-CD2 4.38Å; L31-L74 HydrophobicContact CD2-CG 4.44Å; F58-L74 CarbonylContact C-O 3.56Å; F58-L74 WeakPolarHBondContact CA-O 3.18Å; R59-L74 PolarHBondContact N-O 2.99Å; R59-L74 PolarHBondContact O-N 2.87Å
75	G	94.3	Very high	83.6	Confident	0 Å²	0	77 Å²	77	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133	166.1	0	0	0	0	0	109.7	L31 A32 K57	L31-G75 WeakPolarHBondContact CA-O 3.24Å; A32-G75 PolarHBondContact N-O 2.83Å; A32-G75 PolarHBondContact O-N 2.9Å; K57-G75 WeakPolarHBondContact O-CA 3.3Å
76	R	92.2	Very high	81.9	Confident	129 Å²	129	85.5 Å²	85.5	49%	0.487	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.7	169.5	-174.9	-176.7	175.4	172.9	0.9	108.5	T29 L31 I56 K57	T29-R76 HydrophobicContact CG2-CG 3.4Å; T29-R76 VanDerWaalsContact CG2-CG 3.4Å; T29-R76 PolarHBondContact OG1-NE 2.95Å; T29-R76 PolarHBondContact OG1-NH2 3.35Å; L31-R76 HydrophobicContact CD2-CB 3.94Å; L31-R76 HydrophobicContact CD2-CG 3.94Å; I56-R76 CarbonylContact C-O 3.57Å; I56-R76 WeakPolarHBondContact CA-O 3.12Å; K57-R76 PolarHBondContact N-O 2.98Å; K57-R76 PolarHBondContact O-N 2.9Å
77	C	89.9	Confident	80.5	Confident	0 Å²	0	90 Å²	90	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.9	170.4	-170.2	0	0	0	0	110.1	F22 Q30 E55 I56 R79 F130	F22-C77 HydrophobicContact CD1-CB 3.57Å; F22-C77 HydrophobicContact CE1-CB 3.69Å; F22-C77 HydrophobicContact CG-CB 4.06Å; F22-C77 HydrophobicContact CZ-CB 4.26Å; Q30-C77 HydrophobicContact CB-CB 4.36Å; Q30-C77 PolarHBondContact N-O 2.92Å; Q30-C77 PolarHBondContact O-N 3.33Å; E55-C77 VanDerWaalsContact O-CA 3.31Å; E55-C77 WeakPolarHBondContact O-CA 3.35Å; I56-C77 HydrophobicContact CG1-CB 4.11Å; C77-R79 VanDerWaalsContact SG-CB 3.54Å; C77-R79 PolarHBondContact SG-N 3.28Å; C77-R79 VanDerWaalsContact SG-N 3.41Å; C77-F130 HydrophobicContact CB-CE1 4Å; C77-F130 VanDerWaalsContact SG-CE1 3.53Å
78	T	86.6	Confident	79.7	Confident	62 Å²	62	93.2 Å²	93.2	38%	0.38	44%	0.441	S	S	.	.			trans	-102.5	4.4	175.8	58.6	0	0	0	0	113.3	E55	E55-T78 PolarHBondContact O-N 2.75Å; E55-T78 PolarHBondContact O-OG1 3.31Å
79	R	74.9	Confident	79.1	Confident	18 Å²	18	87.8 Å²	87.8	7%	0.068	42%	0.418	C	S	.	.			trans	-72.4	135.4	178.9	-163.5	-172.1	-177.5	153	-15.7	109.9	Q30 E55 C77 Q83 D84 E89	Q30-R79 PolarHBondContact NE2-O 3.16Å; E55-R79 HydrophobicContact CB-CB 4.32Å; E55-R79 HydrophobicContact CG-CB 4.3Å; E55-R79 WeakPolarHBondContact OE2-CD 3.38Å; E55-R79 WeakPolarHBondContact OE2-CG 3.2Å; E55-R79 IonicContact OE2-NE 2.77Å; E55-R79 IonicContact OE2-NH1 3.83Å; C77-R79 VanDerWaalsContact SG-CB 3.54Å; C77-R79 PolarHBondContact SG-N 3.28Å; C77-R79 VanDerWaalsContact SG-N 3.41Å; R79-Q83 VanDerWaalsContact CZ-O 3.3Å; R79-Q83 PolarHBondContact NE-O 3.07Å; R79-Q83 PolarHBondContact NH2-O 3.17Å; R79-D84 PolarHBondContact NH2-O 2.8Å; R79-E89 IonicContact CZ-OE1 3.83Å; R79-E89 IonicContact NH1-OE1 2.79Å; R79-E89 PolarHBondContact NH1-OE1 2.82Å
80	L	66.2	Low	78.9	Confident	75 Å²	75	87.2 Å²	87.2	39%	0.393	42%	0.415	S	S	.	.			trans	-79.1	133.7	169	-68.5	172.8	0	0	0	109	D82 Q83	L80-D82 PolarHBondContact O-N 3.19Å; L80-D82 VanDerWaalsContact O-N 3.1Å; L80-Q83 PolarHBondContact O-N 3.43Å
81	P	61.2	Low	78.7	Confident	29 Å²	29	82.7 Å²	82.7	19%	0.188	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.2	-174.2	15.6	-26.2	0	0	0	114.8	Q83 L132	P81-Q83 VanDerWaalsContact C-N 3.27Å; P81-Q83 PolarHBondContact O-N 3.21Å; P81-L132 HydrophobicContact CB-CD2 3.14Å; P81-L132 HydrophobicContact CG-CD2 3.97Å
82	D	59.8	Low	78.6	Confident	150 Å²	150	80 Å²	80	80%	0.802	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.6	-175	-60.5	-26.7	0	0	0	114.1	L80	L80-D82 PolarHBondContact O-N 3.19Å; L80-D82 VanDerWaalsContact O-N 3.1Å
83	Q	57.1	Low	78.6	Confident	123 Å²	123	75 Å²	75	58%	0.575	36%	0.362	S	S	*	.	S	Bend	trans	-97.2	105.9	-178.5	-67	-173.7	-3.2	0	0	110	R79 L80 P81	R79-Q83 VanDerWaalsContact CZ-O 3.3Å; R79-Q83 PolarHBondContact NE-O 3.07Å; R79-Q83 PolarHBondContact NH2-O 3.17Å; L80-Q83 PolarHBondContact O-N 3.43Å; P81-Q83 VanDerWaalsContact C-N 3.27Å; P81-Q83 PolarHBondContact O-N 3.21Å
84	D	56	Low	78.4	Confident	98 Å²	98	75 Å²	75	52%	0.524	36%	0.362	S	S	.	.			trans	58.3	84.4	174.3	-49	-33.7	0	0	0	116.9	R79 E86 R87	R79-D84 PolarHBondContact NH2-O 2.8Å; D84-E86 PolarHBondContact O-N 2.81Å; D84-E86 VanDerWaalsContact O-N 3.08Å; D84-R87 HydrophobicContact CB-CG 4.23Å; D84-R87 PolarHBondContact O-N 3.46Å; D84-R87 IonicContact OD2-NE 3.64Å
85	M	55.9	Low	78.3	Confident	177 Å²	177	71.6 Å²	71.6	87%	0.872	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-14.9	167	-73.9	-173.4	72.6	0	0	114.1
86	E	59.5	Low	78.2	Confident	184 Å²	184	71.7 Å²	71.7	86%	0.86	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-13.9	-175.1	-63.3	-173.6	173.2	0	0	114.2	D84 T88	D84-E86 PolarHBondContact O-N 2.81Å; D84-E86 VanDerWaalsContact O-N 3.08Å; E86-T88 PolarHBondContact O-N 3.01Å; E86-T88 VanDerWaalsContact O-N 3.15Å
87	R	64.7	Low	78.2	Confident	158 Å²	158	66.4 Å²	66.4	60%	0.596	33%	0.327	S	S	*	.			trans	-78.4	107.4	-178.5	-75.6	-169.1	172.8	-169	0.5	111	D84 E89	D84-R87 HydrophobicContact CB-CG 4.23Å; D84-R87 PolarHBondContact O-N 3.46Å; D84-R87 IonicContact OD2-NE 3.64Å; R87-E89 PolarHBondContact O-N 3Å
88	T	77	Confident	78.1	Confident	108 Å²	108	67.8 Å²	67.8	66%	0.663	33%	0.334	S	S	*	.			trans	-72.3	90.6	169.9	-52.1	0	0	0	0	110.3	E86 R90	E86-T88 PolarHBondContact O-N 3.01Å; E86-T88 VanDerWaalsContact O-N 3.15Å; T88-R90 HydrophobicContact CG2-CG 4.48Å
89	E	84.7	Confident	78	Confident	5 Å²	5	65.9 Å²	65.9	2%	0.023	32%	0.322	C	S	.	.			trans	-74.3	143.5	172.9	-67.3	-165.7	159.8	0	0	111.6	T51 S52 I56 R79 R87 V128 F130	T51-E89 WeakPolarHBondContact OG1-CA 3.39Å; S52-E89 VanDerWaalsContact CB-OE1 3.25Å; S52-E89 WeakPolarHBondContact CB-OE1 3.32Å; S52-E89 PolarHBondContact OG-OE1 2.83Å; I56-E89 WeakPolarHBondContact CD1-OE2 3.33Å; R79-E89 IonicContact CZ-OE1 3.83Å; R79-E89 IonicContact NH1-OE1 2.79Å; R79-E89 PolarHBondContact NH1-OE1 2.82Å; R87-E89 PolarHBondContact O-N 3Å; E89-V128 HydrophobicContact CB-CB 3.71Å; E89-V128 HydrophobicContact CB-CG1 4.11Å; E89-V128 HydrophobicContact CB-CG2 4.04Å; E89-V128 PolarHBondContact O-N 2.88Å; E89-F130 WeakPolarHBondContact OE2-CZ 3.41Å
90	R	91.8	Very high	78.3	Confident	150 Å²	150	72.8 Å²	72.8	57%	0.566	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	137.8	179.1	-64	-179.3	179.3	161.9	0.3	110.6	T50 T51 T88 L126	T50-R90 CarbonylContact C-O 3.57Å; T50-R90 VanDerWaalsContact CA-O 3.3Å; T50-R90 WeakPolarHBondContact CA-O 3.28Å; T51-R90 HydrophobicContact CG2-CB 4.01Å; T51-R90 PolarHBondContact N-O 3Å; T51-R90 PolarHBondContact OG1-N 2.96Å; T51-R90 PolarHBondContact OG1-O 2.84Å; T88-R90 HydrophobicContact CG2-CG 4.48Å; R90-L126 WeakPolarHBondContact CA-O 3.49Å
91	C	93.6	Very high	78.8	Confident	1 Å²	1	73 Å²	73	1%	0.007	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	154.3	167.1	-65	0	0	0	0	109.3	R49 F58 L126 V128	R49-C91 CarbonylContact O-C 3.54Å; R49-C91 VanDerWaalsContact O-CA 3.28Å; R49-C91 WeakPolarHBondContact O-CA 3.3Å; F58-C91 HydrophobicContact CE2-CB 4.38Å; F58-C91 HydrophobicContact CZ-CB 3.94Å; F58-C91 WeakPolarHBondContact CZ-SG 3.41Å; C91-L126 HydrophobicContact CB-CB 4.26Å; C91-L126 PolarHBondContact N-O 3.28Å; C91-L126 PolarHBondContact O-N 2.88Å; C91-V128 HydrophobicContact CB-CG2 4.3Å; C91-V128 WeakPolarHBondContact SG-CG2 3.35Å
92	T	96.1	Very high	79.6	Confident	35 Å²	35	73.3 Å²	73.3	22%	0.215	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	122.9	176.5	-54.7	0	0	0	0	109.5	L48 R49 V94 K123 Y124	L48-T92 WeakPolarHBondContact CA-O 3.36Å; R49-T92 PolarHBondContact N-O 2.77Å; R49-T92 PolarHBondContact O-N 2.75Å; T92-V94 HydrophobicContact CG2-CG2 4.12Å; T92-K123 HydrophobicContact CG2-CB 4.03Å; T92-K123 HydrophobicContact CG2-CG 4.5Å; T92-Y124 WeakPolarHBondContact CA-O 3.46Å
93	V	95.8	Very high	80.1	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.006	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123	165.5	-173.9	0	0	0	0	107.4	V14 I34 L36 L48 K123 Y124 L126	V14-V93 HydrophobicContact CG1-CG2 3.99Å; V14-V93 HydrophobicContact CG2-CB 4.09Å; V14-V93 HydrophobicContact CG2-CG1 4.22Å; V14-V93 HydrophobicContact CG2-CG2 4.21Å; I34-V93 HydrophobicContact CG2-CG2 4.29Å; L36-V93 HydrophobicContact CD1-CG1 4.27Å; L36-V93 HydrophobicContact CD2-CG1 4.47Å; L48-V93 HydrophobicContact CD2-CG2 4.33Å; L48-V93 HydrophobicContact CG-CG2 4.36Å; V93-K123 WeakPolarHBondContact O-CA 3.01Å; V93-Y124 HydrophobicContact CB-CD2 4.32Å; V93-Y124 PolarHBondContact N-O 2.84Å; V93-Y124 WeakPolarHBondContact O-CD2 3.38Å; V93-Y124 PolarHBondContact O-N 3.28Å; V93-L126 HydrophobicContact CG2-CD1 4.47Å
94	V	94.2	Very high	80.4	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.006	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.7	172.4	-175	0	0	0	0	107.3	Y46 K47 T92 W111 D121 K122 K123	Y46-V94 CarbonylContact C-O 3.54Å; Y46-V94 WeakPolarHBondContact CA-O 3.19Å; K47-V94 PolarHBondContact N-O 3.08Å; K47-V94 PolarHBondContact O-N 2.85Å; T92-V94 HydrophobicContact CG2-CG2 4.12Å; V94-W111 HydrophobicContact CG1-CH2 4.29Å; V94-D121 HydrophobicContact CG1-CB 3.97Å; V94-K122 WeakPolarHBondContact CA-O 3.46Å; V94-K123 HydrophobicContact CG2-CG 4.37Å
95	A	93.8	Very high	81.2	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.5	176.9	0	0	0	0	0	112.3	I44 A45 K122 Y124	I44-A95 HydrophobicContact CD1-CB 4.29Å; A45-A95 VanDerWaalsContact O-CA 3.24Å; A45-A95 WeakPolarHBondContact O-CA 3.28Å; A95-K122 PolarHBondContact N-O 3.06Å; A95-K122 PolarHBondContact O-N 3.49Å; A95-Y124 HydrophobicContact CB-CE2 4.41Å
96	H	91.8	Very high	82.7	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	161.2	175.2	62.2	-86.1	0	0	0	110.4	T10 I44 A45 L98 Y110 W111 M114 D121	T10-H96 VanDerWaalsContact CG2-CA 3.44Å; I44-H96 VanDerWaalsContact CA-O 3.27Å; I44-H96 WeakPolarHBondContact CA-O 3.43Å; I44-H96 WeakPolarHBondContact CB-O 3.32Å; A45-H96 PolarHBondContact N-O 2.97Å; A45-H96 PolarHBondContact O-N 3.15Å; A45-H96 VanDerWaalsContact O-N 3.14Å; H96-L98 PolarHBondContact O-N 3.4Å; H96-Y110 AromaticContact CE1-CE1 3.81Å; H96-Y110 AromaticContact NE2-CE1 3.55Å; H96-Y110 AromaticContact NE2-CZ 3.56Å; H96-Y110 PolarHBondContact NE2-OH 3.07Å; H96-W111 AromaticContact CE1-CH2 3.31Å; H96-W111 WeakPolarHBondContact CE1-CH2 3.38Å; H96-W111 AromaticContact CE1-CZ2 3.67Å; H96-W111 AromaticContact CE1-CZ3 3.81Å; H96-W111 AromaticContact ND1-CH2 3.4Å; H96-W111 WeakPolarHBondContact ND1-CH2 3.48Å; H96-M114 WeakPolarHBondContact CE1-CE 3.24Å; H96-M114 WeakPolarHBondContact NE2-CE 3.36Å; H96-D121 IonicContact CG-OD1 3.87Å; H96-D121 IonicContact ND1-OD1 3.87Å
97	V	90.9	Very high	84	Confident	19 Å²	19	61.9 Å²	61.9	12%	0.115	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.9	178.4	176.7	0	0	0	0	109.3	R8 T10 D42 P99	R8-V97 HydrophobicContact CB-CB 4.44Å; R8-V97 HydrophobicContact CB-CG2 4.08Å; R8-V97 WeakPolarHBondContact O-CG2 3.3Å; T10-V97 HydrophobicContact CG2-CB 4.42Å; T10-V97 HydrophobicContact CG2-CG2 3.56Å; T10-V97 VanDerWaalsContact CG2-N 3.28Å; D42-V97 HydrophobicContact CB-CG1 3.57Å; V97-P99 WeakPolarHBondContact O-CD 2.9Å
98	L	89	Confident	85	Confident	29 Å²	29	60.2 Å²	60.2	15%	0.152	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-66	124	176.4	-169.9	68.2	0	0	0	109.1	S43 A45 F64 H96 V102 Y110	S43-L98 VanDerWaalsContact O-CB 3.29Å; S43-L98 WeakPolarHBondContact O-CB 3.23Å; S43-L98 PolarHBondContact O-N 2.84Å; A45-L98 HydrophobicContact CB-CD1 4.44Å; F64-L98 HydrophobicContact CD1-CD1 4Å; F64-L98 HydrophobicContact CD1-CD2 4.3Å; F64-L98 HydrophobicContact CE1-CD1 3.74Å; H96-L98 PolarHBondContact O-N 3.4Å; L98-V102 HydrophobicContact CD1-CB 4.21Å; L98-V102 HydrophobicContact CD1-CG1 3.93Å; L98-V102 HydrophobicContact CG-CB 4.24Å; L98-V102 HydrophobicContact CG-CG1 4.42Å; L98-Y110 HydrophobicContact CD1-CD2 4.38Å; L98-Y110 HydrophobicContact CD1-CE1 4.25Å; L98-Y110 HydrophobicContact CD1-CE2 3.65Å
99	P	84.8	Confident	85.4	Confident	21 Å²	21	59.6 Å²	59.6	14%	0.136	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-60.1	142.3	179.4	-22.7	32.4	0	0	0	111.9	F3 V97 G101 V102 Y110 L119	F3-P99 HydrophobicContact CD1-CB 3.59Å; F3-P99 HydrophobicContact CD1-CG 4.09Å; F3-P99 HydrophobicContact CE1-CB 4.02Å; F3-P99 HydrophobicContact CE1-CG 4.49Å; F3-P99 HydrophobicContact CG-CB 4.32Å; F3-P99 HydrophobicContact CG-CG 4.41Å; V97-P99 WeakPolarHBondContact O-CD 2.9Å; P99-G101 PolarHBondContact O-N 3.25Å; P99-V102 HydrophobicContact CB-CG2 3.92Å; P99-V102 HydrophobicContact CG-CG2 4.22Å; P99-V102 WeakPolarHBondContact O-CB 3.41Å; P99-V102 WeakPolarHBondContact O-CG2 3.44Å; P99-V102 PolarHBondContact O-N 2.87Å; P99-Y110 WeakPolarHBondContact CD-OH 3.14Å; P99-L119 HydrophobicContact CG-CD1 3.86Å; P99-L119 HydrophobicContact CG-CD2 4.03Å
100	K	80.7	Confident	85.7	Confident	164 Å²	164	60.1 Å²	60.1	71%	0.713	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	136.2	175.5	-69	-173	175.3	-171.8	0	110.1
101	G	77.7	Confident	85.5	Confident	79 Å²	79	54.1 Å²	54.1	81%	0.814	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-9.1	-179.8	0	0	0	0	0	115	P99 K103	P99-G101 PolarHBondContact O-N 3.25Å; G101-K103 PolarHBondContact O-N 3.24Å; G101-K103 VanDerWaalsContact O-N 3.07Å
102	V	77.7	Confident	85	Confident	36 Å²	36	59.9 Å²	59.9	22%	0.218	32%	0.319	C	S	.	.			trans	-72.5	103.6	171.3	178	0	0	0	0	109.1	F3 L98 P99 A104 Y110	F3-V102 HydrophobicContact CE1-CG2 3.84Å; F3-V102 HydrophobicContact CZ-CG2 4.2Å; L98-V102 HydrophobicContact CD1-CB 4.21Å; L98-V102 HydrophobicContact CD1-CG1 3.93Å; L98-V102 HydrophobicContact CG-CB 4.24Å; L98-V102 HydrophobicContact CG-CG1 4.42Å; P99-V102 HydrophobicContact CB-CG2 3.92Å; P99-V102 HydrophobicContact CG-CG2 4.22Å; P99-V102 WeakPolarHBondContact O-CB 3.41Å; P99-V102 WeakPolarHBondContact O-CG2 3.44Å; P99-V102 PolarHBondContact O-N 2.87Å; V102-A104 VanDerWaalsContact C-N 3.33Å; V102-A104 HydrophobicContact CG1-CB 4.05Å; V102-A104 PolarHBondContact O-N 2.81Å; V102-Y110 HydrophobicContact CG1-CD2 4.02Å; V102-Y110 HydrophobicContact CG1-CE2 3.89Å
103	K	69.4	Low	84.4	Confident	194 Å²	194	61.9 Å²	61.9	84%	0.843	34%	0.335	S	S	*	.			trans	-85.1	81.7	163	-65.5	-175.4	-179.4	-178	0	107.2	G101 V105	G101-K103 PolarHBondContact O-N 3.24Å; G101-K103 VanDerWaalsContact O-N 3.07Å; K103-V105 PolarHBondContact O-N 2.94Å; K103-V105 VanDerWaalsContact O-N 3.07Å
104	A	63.7	Low	83.5	Confident	36 Å²	36	62.7 Å²	62.7	30%	0.298	34%	0.339	S	S	.	.			trans	-67.2	111.7	178.6	0	0	0	0	0	109.2	F64 V102	F64-A104 HydrophobicContact CD2-CB 3.97Å; F64-A104 HydrophobicContact CE1-CB 3.85Å; F64-A104 HydrophobicContact CE2-CB 3.16Å; F64-A104 HydrophobicContact CZ-CB 3.1Å; V102-A104 VanDerWaalsContact C-N 3.33Å; V102-A104 HydrophobicContact CG1-CB 4.05Å; V102-A104 PolarHBondContact O-N 2.81Å
105	V	72.9	Confident	82.1	Confident	150 Å²	150	72.4 Å²	72.4	91%	0.909	38%	0.375	S	S	*	.	S	Bend	trans	-78.7	-44.4	175.7	-179	0	0	0	0	109.4	K103	K103-V105 PolarHBondContact O-N 2.94Å; K103-V105 VanDerWaalsContact O-N 3.07Å
106	D	86.6	Confident	80.2	Confident	66 Å²	66	81.4 Å²	81.4	35%	0.353	41%	0.414	S	S	.	.			trans	-133.2	133.6	-177.8	179.3	87.8	0	0	0	109.8	Y108 D109 Y110	D106-Y108 VanDerWaalsContact OD2-CA 3.29Å; D106-Y108 WeakPolarHBondContact OD2-CA 3.29Å; D106-Y108 WeakPolarHBondContact OD2-CB 3.39Å; D106-Y108 PolarHBondContact OD2-N 2.92Å; D106-D109 HydrophobicContact CB-CB 4.32Å; D106-D109 PolarHBondContact OD2-N 2.99Å; D106-Y110 WeakPolarHBondContact O-CB 3.16Å; D106-Y110 PolarHBondContact O-N 2.77Å
107	D	88.2	Confident	79	Confident	46 Å²	46	83.3 Å²	83.3	25%	0.246	43%	0.426	C	S	.	.	H	α-helix	trans	-77.6	-26.5	-176.6	56.1	-15	0	0	0	112.6	Y62 G63 F64 W111	Y62-D107 HydrophobicContact CD2-CB 3.7Å; Y62-D107 WeakPolarHBondContact CD2-OD2 3.48Å; Y62-D107 HydrophobicContact CE2-CB 4.09Å; Y62-D107 VanDerWaalsContact CE2-OD1 3.24Å; Y62-D107 WeakPolarHBondContact CE2-OD1 3.44Å; Y62-D107 WeakPolarHBondContact CE2-OD2 3.27Å; G63-D107 WeakPolarHBondContact CA-OD2 3.15Å; F64-D107 HydrophobicContact CD2-CB 4.22Å; F64-D107 HydrophobicContact CE2-CB 3.59Å; F64-D107 HydrophobicContact CZ-CB 4Å; D107-W111 PolarHBondContact O-N 3.02Å; D107-W111 VanDerWaalsContact O-N 3.16Å
108	Y	85.6	Confident	78.1	Confident	122 Å²	122	91 Å²	91	48%	0.478	46%	0.458	S	S	.	.	H	α-helix	trans	-68.3	-48.9	173.6	177.2	-93	0	0	0	111.2	Y62 D106 Y110 W111 K112	Y62-Y108 HydrophobicContact CE1-CD2 4.39Å; Y62-Y108 VanDerWaalsContact CE2-N 3.33Å; Y62-Y108 AromaticContact CZ-CD2 3.96Å; D106-Y108 VanDerWaalsContact OD2-CA 3.29Å; D106-Y108 WeakPolarHBondContact OD2-CA 3.29Å; D106-Y108 WeakPolarHBondContact OD2-CB 3.39Å; D106-Y108 PolarHBondContact OD2-N 2.92Å; Y108-Y110 VanDerWaalsContact C-N 3.3Å; Y108-Y110 PolarHBondContact O-N 3.17Å; Y108-W111 PolarHBondContact O-N 2.7Å; Y108-K112 HydrophobicContact CE1-CD 4Å; Y108-K112 WeakPolarHBondContact O-CB 3.18Å; Y108-K112 PolarHBondContact O-N 2.71Å
109	D	85.5	Confident	77.8	Confident	95 Å²	95	91.2 Å²	91.2	51%	0.508	46%	0.459	S	S	.	.	H	α-helix	trans	-64.3	-37	178.8	-78.1	-19.7	0	0	0	111.9	D106 K112 S113	D106-D109 HydrophobicContact CB-CB 4.32Å; D106-D109 PolarHBondContact OD2-N 2.99Å; D109-K112 PolarHBondContact O-N 2.64Å; D109-S113 WeakPolarHBondContact O-CB 3.48Å; D109-S113 PolarHBondContact O-N 2.86Å; D109-S113 PolarHBondContact O-OG 3.41Å
110	Y	89.3	Confident	77.6	Confident	16 Å²	16	93.9 Å²	93.9	6%	0.063	47%	0.472	C	S	.	.	H	α-helix	trans	-56.2	-54.8	170.7	179.7	-100.6	0	0	0	111.1	A45 F64 H96 L98 P99 V102 D106 Y108 K112 S113 M114	A45-Y110 HydrophobicContact CB-CD1 4.08Å; A45-Y110 HydrophobicContact CB-CE1 3.37Å; F64-Y110 AromaticContact CE1-CD1 3.62Å; F64-Y110 HydrophobicContact CE1-CD1 3.62Å; F64-Y110 HydrophobicContact CE1-CD2 4.33Å; F64-Y110 AromaticContact CE1-CE1 3.96Å; F64-Y110 HydrophobicContact CE1-CE1 3.96Å; F64-Y110 AromaticContact CE1-CG 3.82Å; F64-Y110 HydrophobicContact CE1-CG 3.82Å; F64-Y110 AromaticContact CZ-CD1 3.86Å; F64-Y110 HydrophobicContact CZ-CD1 3.86Å; F64-Y110 HydrophobicContact CZ-CD2 4.31Å; F64-Y110 AromaticContact CZ-CG 3.68Å; F64-Y110 HydrophobicContact CZ-CG 3.68Å; H96-Y110 AromaticContact CE1-CE1 3.81Å; H96-Y110 AromaticContact NE2-CE1 3.55Å; H96-Y110 AromaticContact NE2-CZ 3.56Å; H96-Y110 PolarHBondContact NE2-OH 3.07Å; L98-Y110 HydrophobicContact CD1-CD2 4.38Å; L98-Y110 HydrophobicContact CD1-CE1 4.25Å; L98-Y110 HydrophobicContact CD1-CE2 3.65Å; P99-Y110 WeakPolarHBondContact CD-OH 3.14Å; V102-Y110 HydrophobicContact CG1-CD2 4.02Å; V102-Y110 HydrophobicContact CG1-CE2 3.89Å; D106-Y110 WeakPolarHBondContact O-CB 3.16Å; D106-Y110 PolarHBondContact O-N 2.77Å; Y108-Y110 VanDerWaalsContact C-N 3.3Å; Y108-Y110 PolarHBondContact O-N 3.17Å; Y110-K112 VanDerWaalsContact C-N 3.26Å; Y110-K112 PolarHBondContact O-N 3.14Å; Y110-S113 PolarHBondContact O-N 2.67Å; Y110-S113 PolarHBondContact O-OG 2.85Å; Y110-M114 HydrophobicContact CD1-CG 4.03Å; Y110-M114 HydrophobicContact CD2-CG 4.33Å; Y110-M114 HydrophobicContact CE1-CE 4.44Å; Y110-M114 HydrophobicContact CE1-CG 3.7Å; Y110-M114 HydrophobicContact CE1-SD 3.99Å; Y110-M114 HydrophobicContact CE2-CG 4.01Å; Y110-M114 HydrophobicContact CE2-SD 4Å; Y110-M114 HydrophobicContact CG-CG 4.33Å; Y110-M114 VanDerWaalsContact CZ-SD 3.51Å; Y110-M114 VanDerWaalsContact O-CB 3.3Å; Y110-M114 WeakPolarHBondContact O-CB 3.46Å; Y110-M114 WeakPolarHBondContact O-CG 3.37Å; Y110-M114 PolarHBondContact O-N 2.85Å; Y110-M114 PolarHBondContact OH-SD 2.82Å
111	W	87.8	Confident	77.9	Confident	24 Å²	24	89.3 Å²	89.3	9%	0.091	46%	0.455	C	S	.	.	H	α-helix	trans	-67.9	-23.5	-179.1	-81.1	108.9	0	0	0	114.1	A45 Y46 K47 V94 H96 D107 Y108	A45-W111 HydrophobicContact CB-CZ2 4.03Å; Y46-W111 PolarHBondContact O-NE1 3.05Å; K47-W111 HydrophobicContact CB-CD2 3.85Å; K47-W111 HydrophobicContact CB-CE3 4.18Å; K47-W111 HydrophobicContact CB-CG 4.47Å; K47-W111 HydrophobicContact CB-CH2 3.88Å; K47-W111 HydrophobicContact CB-CZ2 3.55Å; K47-W111 HydrophobicContact CB-CZ3 4.19Å; K47-W111 HydrophobicContact CD-CD2 3.93Å; K47-W111 HydrophobicContact CD-CE3 3.95Å; K47-W111 HydrophobicContact CD-CG 4.19Å; K47-W111 HydrophobicContact CD-CZ3 4.47Å; V94-W111 HydrophobicContact CG1-CH2 4.29Å; H96-W111 AromaticContact CE1-CH2 3.31Å; H96-W111 WeakPolarHBondContact CE1-CH2 3.38Å; H96-W111 AromaticContact CE1-CZ2 3.67Å; H96-W111 AromaticContact CE1-CZ3 3.81Å; H96-W111 AromaticContact ND1-CH2 3.4Å; H96-W111 WeakPolarHBondContact ND1-CH2 3.48Å; D107-W111 PolarHBondContact O-N 3.02Å; D107-W111 VanDerWaalsContact O-N 3.16Å; Y108-W111 PolarHBondContact O-N 2.7Å
112	K	84.7	Confident	78.6	Confident	123 Å²	123	89.6 Å²	89.6	54%	0.535	43%	0.434	S	S	.	.	H	α-helix	trans	-76	-42.9	175.3	-170.1	176.5	177.6	-177.2	0	112.1	Y108 D109 Y110	Y108-K112 HydrophobicContact CE1-CD 4Å; Y108-K112 WeakPolarHBondContact O-CB 3.18Å; Y108-K112 PolarHBondContact O-N 2.71Å; D109-K112 PolarHBondContact O-N 2.64Å; Y110-K112 VanDerWaalsContact C-N 3.26Å; Y110-K112 PolarHBondContact O-N 3.14Å
113	S	81.7	Confident	79.3	Confident	77 Å²	77	94.6 Å²	94.6	54%	0.538	45%	0.453	S	S	.	.	H	α-helix	trans	-74.2	-28.3	179.4	59.2	0	0	0	0	113.5	D109 Y110 R115	D109-S113 WeakPolarHBondContact O-CB 3.48Å; D109-S113 PolarHBondContact O-N 2.86Å; D109-S113 PolarHBondContact O-OG 3.41Å; Y110-S113 PolarHBondContact O-N 2.67Å; Y110-S113 PolarHBondContact O-OG 2.85Å; S113-R115 PolarHBondContact O-N 3.48Å
114	M	76.9	Confident	80.5	Confident	18 Å²	18	86.7 Å²	86.7	9%	0.089	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-59.4	-13.8	-178.2	-86.8	-80.4	-60.1	0	0	116.2	H96 Y110 F116 T117 L119	H96-M114 WeakPolarHBondContact CE1-CE 3.24Å; H96-M114 WeakPolarHBondContact NE2-CE 3.36Å; Y110-M114 HydrophobicContact CD1-CG 4.03Å; Y110-M114 HydrophobicContact CD2-CG 4.33Å; Y110-M114 HydrophobicContact CE1-CE 4.44Å; Y110-M114 HydrophobicContact CE1-CG 3.7Å; Y110-M114 HydrophobicContact CE1-SD 3.99Å; Y110-M114 HydrophobicContact CE2-CG 4.01Å; Y110-M114 HydrophobicContact CE2-SD 4Å; Y110-M114 HydrophobicContact CG-CG 4.33Å; Y110-M114 VanDerWaalsContact CZ-SD 3.51Å; Y110-M114 VanDerWaalsContact O-CB 3.3Å; Y110-M114 WeakPolarHBondContact O-CB 3.46Å; Y110-M114 WeakPolarHBondContact O-CG 3.37Å; Y110-M114 PolarHBondContact O-N 2.85Å; Y110-M114 PolarHBondContact OH-SD 2.82Å; M114-F116 PolarHBondContact O-N 3.05Å; M114-T117 WeakPolarHBondContact CE-OG1 3.49Å; M114-T117 PolarHBondContact O-N 2.98Å; M114-T117 VanDerWaalsContact O-N 3.1Å; M114-T117 PolarHBondContact O-OG1 3.28Å; M114-T117 HydrophobicContact SD-CG2 4.23Å; M114-T117 PolarHBondContact SD-OG1 3Å; M114-T117 VanDerWaalsContact SD-OG1 3.33Å; M114-L119 HydrophobicContact CE-CB 4.29Å; M114-L119 HydrophobicContact CE-CD1 3.35Å; M114-L119 HydrophobicContact CE-CG 4.37Å; M114-L119 HydrophobicContact SD-CD1 3.38Å; M114-L119 WeakPolarHBondContact SD-CD1 3.36Å
115	R	64.8	Low	82	Confident	205 Å²	205	89 Å²	89	77%	0.774	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-54.3	-17.6	-177.1	-69.2	-173.2	-178.3	-170.7	1.2	114.4	S113	S113-R115 PolarHBondContact O-N 3.48Å
116	F	54.2	Low	83	Confident	188 Å²	188	82 Å²	82	83%	0.825	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-112.6	14	-174.8	-55.4	-74.7	0	0	0	114.3	M114	M114-F116 PolarHBondContact O-N 3.05Å
117	T	67.4	Low	83.3	Confident	42 Å²	42	80.1 Å²	80.1	26%	0.258	38%	0.383	S	S	.	.			trans	-105.3	139.6	-176.6	63.1	0	0	0	0	112.6	F3 M114 L119	F3-T117 HydrophobicContact CD2-CG2 3.96Å; F3-T117 HydrophobicContact CE2-CG2 4.27Å; M114-T117 WeakPolarHBondContact CE-OG1 3.49Å; M114-T117 PolarHBondContact O-N 2.98Å; M114-T117 VanDerWaalsContact O-N 3.1Å; M114-T117 PolarHBondContact O-OG1 3.28Å; M114-T117 HydrophobicContact SD-CG2 4.23Å; M114-T117 PolarHBondContact SD-OG1 3Å; M114-T117 VanDerWaalsContact SD-OG1 3.33Å; T117-L119 PolarHBondContact O-N 3.34Å; T117-L119 VanDerWaalsContact O-N 3.07Å
118	K	72.6	Confident	83.4	Confident	179 Å²	179	78.8 Å²	78.8	78%	0.778	38%	0.377	S	S	*	.			trans	-82.1	47.5	175.4	-64.7	178.7	-179.4	170.5	0	112	S5	S5-K118 VanDerWaalsContact CB-O 3.3Å; S5-K118 WeakPolarHBondContact CB-O 3.35Å; S5-K118 PolarHBondContact OG-O 2.94Å
119	L	80.6	Confident	83.5	Confident	34 Å²	34	77.7 Å²	77.7	18%	0.178	38%	0.377	C	S	.	.			trans	-83.3	148.3	179.9	-69.4	170.4	0	0	0	111.1	P99 M114 T117 D121	P99-L119 HydrophobicContact CG-CD1 3.86Å; P99-L119 HydrophobicContact CG-CD2 4.03Å; M114-L119 HydrophobicContact CE-CB 4.29Å; M114-L119 HydrophobicContact CE-CD1 3.35Å; M114-L119 HydrophobicContact CE-CG 4.37Å; M114-L119 HydrophobicContact SD-CD1 3.38Å; M114-L119 WeakPolarHBondContact SD-CD1 3.36Å; T117-L119 PolarHBondContact O-N 3.34Å; T117-L119 VanDerWaalsContact O-N 3.07Å; L119-D121 PolarHBondContact O-N 3.06Å
120	I	82.3	Confident	83.4	Confident	78 Å²	78	75.4 Å²	75.4	40%	0.4	36%	0.363	S	S	.	.			trans	-88.2	96	-179.8	-57.8	175.2	0	0	0	108
121	D	87	Confident	82.7	Confident	67 Å²	67	77.2 Å²	77.2	36%	0.358	37%	0.374	S	S	.	.			trans	-72.8	129.6	174.3	-74	-0.6	0	0	0	110.7	V94 H96 L119	V94-D121 HydrophobicContact CG1-CB 3.97Å; H96-D121 IonicContact CG-OD1 3.87Å; H96-D121 IonicContact ND1-OD1 3.87Å; L119-D121 PolarHBondContact O-N 3.06Å
122	K	91.4	Very high	81.7	Confident	86 Å²	86	80.1 Å²	80.1	37%	0.374	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.2	163.3	-167.9	165.3	170	-162.7	0	108.9	V94 A95 Y124	V94-K122 WeakPolarHBondContact CA-O 3.46Å; A95-K122 PolarHBondContact N-O 3.06Å; A95-K122 PolarHBondContact O-N 3.49Å; K122-Y124 HydrophobicContact CB-CE2 4.09Å; K122-Y124 HydrophobicContact CD-CE1 4.34Å; K122-Y124 HydrophobicContact CD-CE2 4.18Å; K122-Y124 WeakPolarHBondContact CD-OH 3.15Å; K122-Y124 VanDerWaalsContact CE-CZ 3.48Å; K122-Y124 WeakPolarHBondContact CE-OH 3.46Å; K122-Y124 HydrophobicContact CG-CE1 4.43Å; K122-Y124 HydrophobicContact CG-CE2 3.75Å; K122-Y124 PolarHBondContact NZ-OH 3.34Å; K122-Y124 VanDerWaalsContact NZ-OH 3.14Å
123	K	93.3	Very high	80.4	Confident	140 Å²	140	81 Å²	81	61%	0.609	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.4	-178.6	-60.8	-178	-176.7	173.4	0	109.6	T92 V93 V94	T92-K123 HydrophobicContact CG2-CB 4.03Å; T92-K123 HydrophobicContact CG2-CG 4.5Å; V93-K123 WeakPolarHBondContact O-CA 3.01Å; V94-K123 HydrophobicContact CG2-CG 4.37Å
124	Y	94.5	Very high	78.7	Confident	29 Å²	29	80.5 Å²	80.5	11%	0.114	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	92.7	176.8	-54.9	-97.1	0	0	0	107.3	A12 V14 T92 V93 A95 K122	A12-Y124 WeakPolarHBondContact CA-OH 3.2Å; A12-Y124 HydrophobicContact CB-CE2 4.34Å; A12-Y124 VanDerWaalsContact CB-OH 3.26Å; A12-Y124 WeakPolarHBondContact CB-OH 3.44Å; A12-Y124 WeakPolarHBondContact O-CE1 3.25Å; A12-Y124 VanDerWaalsContact O-CZ 3.3Å; A12-Y124 PolarHBondContact O-OH 3.1Å; V14-Y124 HydrophobicContact CB-CD1 4.22Å; V14-Y124 HydrophobicContact CB-CG 4.26Å; V14-Y124 HydrophobicContact CG2-CD1 3.77Å; V14-Y124 HydrophobicContact CG2-CD2 3.87Å; V14-Y124 HydrophobicContact CG2-CE1 4.27Å; V14-Y124 HydrophobicContact CG2-CE2 4.41Å; V14-Y124 HydrophobicContact CG2-CG 3.53Å; T92-Y124 WeakPolarHBondContact CA-O 3.46Å; V93-Y124 HydrophobicContact CB-CD2 4.32Å; V93-Y124 PolarHBondContact N-O 2.84Å; V93-Y124 WeakPolarHBondContact O-CD2 3.38Å; V93-Y124 PolarHBondContact O-N 3.28Å; A95-Y124 HydrophobicContact CB-CE2 4.41Å; K122-Y124 HydrophobicContact CB-CE2 4.09Å; K122-Y124 HydrophobicContact CD-CE1 4.34Å; K122-Y124 HydrophobicContact CD-CE2 4.18Å; K122-Y124 WeakPolarHBondContact CD-OH 3.15Å; K122-Y124 VanDerWaalsContact CE-CZ 3.48Å; K122-Y124 WeakPolarHBondContact CE-OH 3.46Å; K122-Y124 HydrophobicContact CG-CE1 4.43Å; K122-Y124 HydrophobicContact CG-CE2 3.75Å; K122-Y124 PolarHBondContact NZ-OH 3.34Å; K122-Y124 VanDerWaalsContact NZ-OH 3.14Å
125	P	94.9	Very high	77.1	Confident	85 Å²	85	87.9 Å²	87.9	55%	0.552	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	139.2	176.8	30.5	-32.8	0	0	0	109.9
126	L	94.2	Very high	76	Confident	1 Å²	1	85.8 Å²	85.8	1%	0.005	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.9	174.5	-61.5	171.5	0	0	0	108.4	V14 P16 V17 D18 I34 R90 C91 V93	V14-L126 HydrophobicContact CG1-CD1 4.06Å; V14-L126 HydrophobicContact CG1-CD2 4.41Å; P16-L126 WeakPolarHBondContact O-CD2 3.16Å; V17-L126 VanDerWaalsContact O-CD2 3.29Å; V17-L126 WeakPolarHBondContact O-CD2 3.31Å; D18-L126 CarbonylContact O-C 3.49Å; D18-L126 VanDerWaalsContact O-CA 3.24Å; D18-L126 WeakPolarHBondContact O-CA 3.33Å; I34-L126 HydrophobicContact CD1-CD1 3.81Å; I34-L126 HydrophobicContact CG1-CD1 4.16Å; R90-L126 WeakPolarHBondContact CA-O 3.49Å; C91-L126 HydrophobicContact CB-CB 4.26Å; C91-L126 PolarHBondContact N-O 3.28Å; C91-L126 PolarHBondContact O-N 2.88Å; V93-L126 HydrophobicContact CG2-CD1 4.47Å
127	G	92.6	Very high	75.3	Confident	27 Å²	27	82 Å²	82	28%	0.278	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	150.5	162.7	0	0	0	0	0	110.3	D18 T19 I20	D18-G127 PolarHBondContact O-N 3Å; T19-G127 CarbonylContact C-O 3.59Å; T19-G127 VanDerWaalsContact CA-O 3.32Å; T19-G127 WeakPolarHBondContact CA-O 3.5Å; I20-G127 WeakPolarHBondContact CG2-O 3.49Å; I20-G127 PolarHBondContact N-O 2.85Å
128	V	89.7	Confident	74.4	Confident	19 Å²	19	85.1 Å²	85.1	12%	0.115	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128	174.9	174.4	0	0	0	0	107.9	I20 F22 I56 E89 C91 F130	I20-V128 HydrophobicContact CG2-CB 4.44Å; I20-V128 HydrophobicContact CG2-CG2 3.88Å; F22-V128 HydrophobicContact CD2-CG1 3.78Å; F22-V128 HydrophobicContact CE2-CG1 3.84Å; I56-V128 HydrophobicContact CD1-CG1 4.15Å; I56-V128 HydrophobicContact CD1-CG2 4.22Å; E89-V128 HydrophobicContact CB-CB 3.71Å; E89-V128 HydrophobicContact CB-CG1 4.11Å; E89-V128 HydrophobicContact CB-CG2 4.04Å; E89-V128 PolarHBondContact O-N 2.88Å; C91-V128 HydrophobicContact CB-CG2 4.3Å; C91-V128 WeakPolarHBondContact SG-CG2 3.35Å; V128-F130 HydrophobicContact CG1-CE1 4.26Å; V128-F130 HydrophobicContact CG1-CE2 4.13Å; V128-F130 HydrophobicContact CG1-CZ 3.84Å
129	M	87.7	Confident	73	Confident	98 Å²	98	85 Å²	85	48%	0.483	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.7	172.1	-70.6	-174.2	70.1	0	0	109.8	T19 I20 H21 F22	T19-M129 HydrophobicContact CG2-CB 3.91Å; T19-M129 HydrophobicContact CG2-CG 3.54Å; T19-M129 HydrophobicContact CG2-SD 3.72Å; I20-M129 PolarHBondContact O-N 2.91Å; H21-M129 WeakPolarHBondContact CA-O 3.29Å; F22-M129 PolarHBondContact N-O 3.35Å
130	F	83.2	Confident	71.4	Confident	48 Å²	48	88.6 Å²	88.6	21%	0.211	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.3	176.2	-61.2	-70.4	0	0	0	107.7	F22 Q30 C77 E89 V128 L132	F22-F130 HydrophobicContact CB-CD1 3.7Å; F22-F130 HydrophobicContact CB-CE1 3.98Å; F22-F130 HydrophobicContact CD2-CE1 4.19Å; F22-F130 HydrophobicContact CG-CD1 4.39Å; F22-F130 HydrophobicContact CG-CE1 4.18Å; Q30-F130 VanDerWaalsContact OE1-CD1 3.23Å; C77-F130 HydrophobicContact CB-CE1 4Å; C77-F130 VanDerWaalsContact SG-CE1 3.53Å; E89-F130 WeakPolarHBondContact OE2-CZ 3.41Å; V128-F130 HydrophobicContact CG1-CE1 4.26Å; V128-F130 HydrophobicContact CG1-CE2 4.13Å; V128-F130 HydrophobicContact CG1-CZ 3.84Å; F130-L132 PolarHBondContact O-N 3.26Å
131	D	76.2	Confident	69.1	Low	54 Å²	54	90.8 Å²	90.8	29%	0.289	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	107.1	176.2	-58.4	-30.4	0	0	0	107.5	H21 F22 S23 D133	H21-D131 IonicContact CE1-OD1 3.87Å; H21-D131 IonicContact CG-OD1 3.62Å; H21-D131 IonicContact ND1-OD1 2.71Å; H21-D131 PolarHBondContact ND1-OD1 3.46Å; F22-D131 PolarHBondContact O-N 2.91Å; S23-D131 PolarHBondContact OG-OD2 3.18Å; D131-D133 PolarHBondContact O-N 3.06Å
132	L	65.1	Low	66.8	Low	85 Å²	85	92.7 Å²	92.7	45%	0.445	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.8	179.2	-61.3	178.9	0	0	0	112.5	P81 F130 Y135	P81-L132 HydrophobicContact CB-CD2 3.14Å; P81-L132 HydrophobicContact CG-CD2 3.97Å; F130-L132 PolarHBondContact O-N 3.26Å; L132-Y135 WeakPolarHBondContact O-CD2 3.36Å; L132-Y135 WeakPolarHBondContact O-CE2 3.43Å
133	D	57.9	Low	64.3	Low	141 Å²	141	94.9 Å²	94.9	75%	0.754	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	21.7	-156.9	-59.3	-27.8	0	0	0	115.4	D131 Y135	D131-D133 PolarHBondContact O-N 3.06Å; D133-Y135 PolarHBondContact O-N 2.92Å
134	S	47	Very low	61.8	Low	67 Å²	67	92.2 Å²	92.2	47%	0.469	53%	0.526	S	S	.	.			trans	-81.7	52.4	159.3	79.2	0	0	0	0	110.5	R24 D136	R24-S134 PolarHBondContact O-OG 2.93Å; S134-D136 PolarHBondContact O-N 2.63Å
135	Y	43.1	Very low	59	Low	173 Å²	173	95.4 Å²	95.4	68%	0.678	55%	0.553	S	S	*	*			trans	-76.5	79.9	163	-78.5	-85.9	0	0	0	107.9	L132 D133 V137	L132-Y135 WeakPolarHBondContact O-CD2 3.36Å; L132-Y135 WeakPolarHBondContact O-CE2 3.43Å; D133-Y135 PolarHBondContact O-N 2.92Å; Y135-V137 PolarHBondContact O-N 2.79Å
136	D	41.9	Very low	56.1	Low	160 Å²	160	102 Å²	102	86%	0.856	57%	0.568	S	S	*	*			trans	-70.5	102.4	141.7	-89.8	-30.4	0	0	0	104.8	S134 P138	S134-D136 PolarHBondContact O-N 2.63Å; D136-P138 VanDerWaalsContact O-N 3.16Å
137	V	39.3	Very low	53.4	Low	108 Å²	108	107.1 Å²	107.1	66%	0.655	60%	0.599	S	S	*	*			trans	-38.4	120.7	171.5	176.3	0	0	0	0	108	Y135 E139	Y135-V137 PolarHBondContact O-N 2.79Å; V137-E139 VanDerWaalsContact C-N 3.34Å; V137-E139 PolarHBondContact O-N 2.91Å
138	P	48	Very low	50.5	Low	109 Å²	109	110.7 Å²	110.7	71%	0.708	62%	0.62	S	S	*	*			trans	-63.4	108	163.2	-1.1	15	0	0	0	104.5	D136 P140	D136-P138 VanDerWaalsContact O-N 3.16Å; P138-P140 WeakPolarHBondContact O-CD 3.47Å; P138-P140 VanDerWaalsContact O-N 3.08Å
139	E	43.4	Very low	47.7	Very low	175 Å²	175	117.5 Å²	117.5	82%	0.818	65%	0.654	S	S	*	*			trans	-49.1	124.3	168.8	-100.3	-164.5	164.9	0	0	106.7	V137 V141	V137-E139 VanDerWaalsContact C-N 3.34Å; V137-E139 PolarHBondContact O-N 2.91Å; E139-V141 PolarHBondContact O-N 3.05Å
140	P	46.4	Very low	45.5	Very low	110 Å²	110	123.4 Å²	123.4	71%	0.714	67%	0.671	S	S	*	*			trans	-58.3	122.1	179.8	21.3	-30.4	0	0	0	108.2	P138 S142	P138-P140 WeakPolarHBondContact O-CD 3.47Å; P138-P140 VanDerWaalsContact O-N 3.08Å; P140-S142 PolarHBondContact O-N 3.45Å
141	V	34	Very low	43.3	Very low	125 Å²	125	128.9 Å²	128.9	76%	0.758	70%	0.701	S	S	*	*			trans	-50.5	106.7	174.3	-158.4	0	0	0	0	107.9	E139 T143	E139-V141 PolarHBondContact O-N 3.05Å; V141-T143 HydrophobicContact CG1-CG2 4Å; V141-T143 PolarHBondContact O-N 3.29Å
142	S	39.9	Very low	41.7	Very low	107 Å²	107	133.6 Å²	133.6	75%	0.748	73%	0.725	S	S	*	*			trans	-76.8	81.4	164.4	-77.4	0	0	0	0	107.7	P140 S144	P140-S142 PolarHBondContact O-N 3.45Å; S142-S144 PolarHBondContact O-N 3.33Å
143	T	38.7	Very low	40.4	Very low	132 Å²	132	133.6 Å²	133.6	81%	0.81	74%	0.737	S	S	*	*			trans	-69.9	65.6	156.8	40.1	0	0	0	0	109	V141	V141-T143 HydrophobicContact CG1-CG2 4Å; V141-T143 PolarHBondContact O-N 3.29Å
144	S	39.9	Very low	39.5	Very low	84 Å²	84	132.5 Å²	132.5	59%	0.587	74%	0.741	S	S	*	*			trans	-152.9	119.7	162	74.1	0	0	0	0	110	S142	S142-S144 PolarHBondContact O-N 3.33Å
145	S	36.9	Very low	39.2	Very low	96 Å²	96	135.4 Å²	135.4	67%	0.671	76%	0.756	S	S	*	*			trans	76.7	91.1	152.4	-40	0	0	0	0	115.9	T147	S145-T147 VanDerWaalsContact C-N 3.3Å; S145-T147 PolarHBondContact O-N 2.92Å
146	Y	32.8	Very low	38.9	Very low	224 Å²	224	133 Å²	133	88%	0.878	76%	0.764	S	S	*	*			trans	-45.8	96.7	144.3	179.2	-93.9	0	0	0	109.6
147	T	38.2	Very low	38.8	Very low	107 Å²	107	130.5 Å²	130.5	66%	0.656	76%	0.759	S	S	*	*			trans	-150.1	92	164.3	35.8	0	0	0	0	108.7	S145 I149	S145-T147 VanDerWaalsContact C-N 3.3Å; S145-T147 PolarHBondContact O-N 2.92Å; T147-I149 PolarHBondContact O-N 2.96Å
148	S	31.4	Very low	39	Very low	102 Å²	102	131.1 Å²	131.1	71%	0.713	77%	0.765	S	S	*	*			trans	9.1	96.7	147.4	-43.4	0	0	0	0	116.6	R150	S148-R150 PolarHBondContact O-N 3.13Å
149	I	31.4	Very low	38.6	Very low	162 Å²	162	135.1 Å²	135.1	83%	0.831	78%	0.775	S	S	*	*			trans	-86.9	105.4	162.6	-63.9	173.7	0	0	0	107.7	T147 I151	T147-I149 PolarHBondContact O-N 2.96Å; I149-I151 PolarHBondContact O-N 3.41Å
150	R	41.1	Very low	38.4	Very low	223 Å²	223	136.6 Å²	136.6	84%	0.842	78%	0.778	S	S	*	*			trans	-71	118.3	165.3	-72	-177.6	175.2	-170.2	-1.1	108.1	S148 L152	S148-R150 PolarHBondContact O-N 3.13Å; R150-L152 PolarHBondContact O-N 3.17Å; R150-L152 VanDerWaalsContact O-N 3.13Å
151	I	37.5	Very low	38	Very low	163 Å²	163	138.6 Å²	138.6	84%	0.836	78%	0.782	S	S	*	*			trans	-71.5	103.2	168.2	-59.4	172.7	0	0	0	107.2	I149	I149-I151 PolarHBondContact O-N 3.41Å
152	L	42.2	Very low	38.3	Very low	152 Å²	152	140.4 Å²	140.4	80%	0.796	78%	0.783	S	S	*	*			trans	-88.7	105.4	164.6	-82.4	163.2	0	0	0	108	R150 S154	R150-L152 PolarHBondContact O-N 3.17Å; R150-L152 VanDerWaalsContact O-N 3.13Å; L152-S154 PolarHBondContact O-N 2.9Å; L152-S154 VanDerWaalsContact O-N 3.17Å
153	A	37.7	Very low	38.2	Very low	85 Å²	85	140.5 Å²	140.5	70%	0.702	78%	0.783	S	S	*	*			trans	-64.4	111.2	167.7	0	0	0	0	0	108.9	T155	A153-T155 PolarHBondContact O-N 3.33Å
154	S	37.9	Very low	38.2	Very low	119 Å²	119	144.8 Å²	144.8	83%	0.832	78%	0.784	S	S	*	*			trans	-85.9	94.5	171.5	-60.4	0	0	0	0	108.3	L152 S156	L152-S154 PolarHBondContact O-N 2.9Å; L152-S154 VanDerWaalsContact O-N 3.17Å; S154-S156 PolarHBondContact O-N 3.49Å
155	T	41	Very low	38	Very low	128 Å²	128	146.6 Å²	146.6	79%	0.785	79%	0.792	S	S	*	*			trans	-80.9	110.3	167.1	51.7	0	0	0	0	108.7	A153 S157	A153-T155 PolarHBondContact O-N 3.33Å; T155-S157 PolarHBondContact O-N 3.42Å
156	S	37	Very low	37.9	Very low	121 Å²	121	147.1 Å²	147.1	85%	0.846	80%	0.796	S	S	*	*			trans	-68.6	111.9	166.6	52.3	0	0	0	0	109.6	S154	S154-S156 PolarHBondContact O-N 3.49Å
157	S	39.4	Very low	38.2	Very low	109 Å²	109	141.2 Å²	141.2	76%	0.762	79%	0.787	S	S	*	*			trans	-106.1	133.7	166.5	74.5	0	0	0	0	109.9	T155	T155-S157 PolarHBondContact O-N 3.42Å
158	P	44.8	Very low	38.2	Very low	120 Å²	120	140.9 Å²	140.9	78%	0.779	79%	0.789	S	S	*	*			trans	-84.4	137.5	164.9	29.4	-22.7	0	0	0	110
159	Q	39.2	Very low	38.3	Very low	193 Å²	193	144.8 Å²	144.8	90%	0.902	80%	0.796	S	S	*	*			trans	-10.3	130.4	161	-67	170.9	-18.2	0	0	116.1
160	K	38.7	Very low	38.5	Very low	206 Å²	206	142.2 Å²	142.2	90%	0.896	79%	0.793	S	S	*	*				178.5	121.5	108.6	-159.6	166.5	-178.7	-178.3	0	110.2
161	L	39.4	Very low	38.1	Very low	152 Å²	152	136 Å²	136	80%	0.796	79%	0.789	S	S	*	*			trans	-73.8	151.7	172.8	-115.6	133.9	0	0	0	110.3
162	E	39.2	Very low	37.9	Very low	164 Å²	164	135.5 Å²	135.5	77%	0.766	79%	0.787	S	S	*	*			trans	93.3	89.9	156.6	-64.6	176.6	170.8	0	0	120.4
163	S	38.1	Very low	37.2	Very low	108 Å²	108	134 Å²	134	76%	0.755	78%	0.784	S	S	*	*				102	123.2	110.1	75.8	0	0	0	0	120.5
164	R	39.2	Very low	36.9	Very low	222 Å²	222	134.8 Å²	134.8	84%	0.838	78%	0.784	S	S	*	*			trans	83.9	98.6	139	-77.5	179.1	85.2	169.8	4.8	121.4
165	T	34.3	Very low	36.5	Very low	123 Å²	123	135.5 Å²	135.5	76%	0.755	78%	0.784	S	S	*	*				73	132.9	119.4	41.8	0	0	0	0	123.4
166	S	35.8	Very low	36	Very low	107 Å²	107	140 Å²	140	75%	0.748	79%	0.787	S	S	*	*			trans	92.2	103.5	144.6	-133.2	0	0	0	0	117
167	S	38.8	Very low	35.8	Very low	100 Å²	100	138.6 Å²	138.6	70%	0.699	78%	0.777	S	S	*	*				71.9	131.5	101	73	0	0	0	0	112.5
168	S	38.5	Very low	35.4	Very low	100 Å²	100	138.9 Å²	138.9	70%	0.699	78%	0.779	S	S	*	*			cis	-178.1	153.2	18	27.7	0	0	0	0	107.4
169	E	33.3	Very low	34.9	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	77%	0.774	S	S	*	*			trans	65	137.2	146.9	-93.9	-177.6	126.5	0	0	124.8
170	S	35.1	Very low	34.6	Very low	108 Å²	108	134.8 Å²	134.8	76%	0.755	77%	0.769	S	S	*	*			trans	98.4	93.4	141.1	75.3	0	0	0	0	119.9
171	A	32.4	Very low	34.5	Very low	93 Å²	93	133.9 Å²	133.9	77%	0.769	77%	0.768	S	S	*	*				49	142	114.9	0	0	0	0	0	123.1
172	I	33.6	Very low	34.2	Very low	152 Å²	152	132 Å²	132	78%	0.779	77%	0.767	S	S	*	*			trans	105.3	96.7	151	-47.4	-179.6	0	0	0	117.7
173	T	28.8	Very low	34.1	Very low	119 Å²	119	127.6 Å²	127.6	73%	0.73	77%	0.766	S	S	*	*				38.9	119.3	123.1	-26.5	0	0	0	0	121
174	S	30.8	Very low	34	Very low	103 Å²	103	129.1 Å²	129.1	72%	0.72	77%	0.771	S	S	*	*				157.1	123	111.7	-73.1	0	0	0	0	114.5
175	T	29.4	Very low	33.7	Very low	134 Å²	134	128 Å²	128	82%	0.822	77%	0.768	S	S	*	*			trans	58.1	117.6	142	-10.4	0	0	0	0	121.6
176	R	30.4	Very low	33.6	Very low	223 Å²	223	128.7 Å²	128.7	84%	0.842	77%	0.773	S	S	*	*				140.3	129.8	104.5	-162.7	179.5	156.1	168.3	-5.4	114.3
177	S	31.7	Very low	33.4	Very low	91 Å²	91	129.2 Å²	129.2	64%	0.636	77%	0.771	S	S	*	*			trans	72.2	133.8	148.2	52.6	0	0	0	0	123.2
178	S	32.4	Very low	33	Very low	115 Å²	115	130.8 Å²	130.8	80%	0.804	78%	0.777	S	S	*	*			trans	74.1	138.1	157.8	77.6	0	0	0	0	114.5
179	S	33.7	Very low	32.7	Very low	97 Å²	97	131 Å²	131	68%	0.678	78%	0.778	S	S	*	*			cis	-171.5	158.1	7	41.8	0	0	0	0	106.6
180	T	32.6	Very low	32.6	Very low	129 Å²	129	127.6 Å²	127.6	79%	0.791	78%	0.775	S	S	*	*			trans	58.2	101.5	154.5	-7	0	0	0	0	117.8
181	E	37.1	Very low	33	Very low	187 Å²	187	129.9 Å²	129.9	87%	0.874	78%	0.777	S	S	*	*				-169.9	148.7	127.4	-116.1	175.5	153.4	0	0	112.4
182	S	31.9	Very low	33	Very low	113 Å²	113	132.7 Å²	132.7	79%	0.79	78%	0.779	S	S	*	*			trans	-38	128.6	175.9	48.2	0	0	0	0	115.6
183	G	37.3	Very low	33.2	Very low	72 Å²	72	130.9 Å²	130.9	74%	0.742	78%	0.78	S	S	*	*			trans	-127.7	113.8	171.2	0	0	0	0	0	111.5
184	T	36.7	Very low	33.4	Very low	139 Å²	139	131.6 Å²	131.6	85%	0.853	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-71.7	133.3	167.5	-44.7	0	0	0	0	109.1
185	Y	32.5	Very low	33.7	Very low	198 Å²	198	132.6 Å²	132.6	78%	0.776	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-86.3	136.5	-179.1	47.6	-89.5	0	0	0	111.6
186	T	33.5	Very low	33.8	Very low	139 Å²	139	132 Å²	132	85%	0.853	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-89.6	128.8	167.3	-47.3	0	0	0	0	108.4
187	T	30.2	Very low	34	Very low	118 Å²	118	126.9 Å²	126.9	72%	0.724	78%	0.776	S	S	*	*			trans	-114.4	122.1	169.5	-54.6	0	0	0	0	109.5
188	T	31	Very low	33.9	Very low	132 Å²	132	127.8 Å²	127.8	81%	0.81	78%	0.782	S	S	*	*			trans	-72.3	134.2	173.6	2.7	0	0	0	0	110.4
189	S	32.9	Very low	34	Very low	104 Å²	104	127.5 Å²	127.5	73%	0.727	78%	0.78	S	S	*	*			trans	-122.7	117.4	156.7	76.8	0	0	0	0	109.8
190	S	31.6	Very low	33.9	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	80%	0.795	S	S	*	*			trans	-68.9	125.9	170.4	-37.4	0	0	0	0	109.3
191	I	43.3	Very low	33.9	Very low	156 Å²	156	132.4 Å²	132.4	80%	0.8	79%	0.791	S	S	*	*			trans	-120.4	106.9	159.4	-50	174.2	0	0	0	105.6	S193	I191-S193 PolarHBondContact O-N 3.45Å
192	D	32	Very low	34	Very low	152 Å²	152	129.3 Å²	129.3	81%	0.813	79%	0.79	S	S	*	*			trans	-59.4	116.6	168.5	-83.3	-42.7	0	0	0	109.1
193	S	36.6	Very low	34.2	Very low	114 Å²	114	129 Å²	129	80%	0.797	79%	0.787	S	S	*	*			trans	-174.1	97.2	141.3	-79.5	0	0	0	0	108.1	I191 T195	I191-S193 PolarHBondContact O-N 3.45Å; S193-T195 PolarHBondContact O-N 2.89Å
194	T	33.6	Very low	34.4	Very low	135 Å²	135	133.4 Å²	133.4	83%	0.828	79%	0.794	S	S	*	*			trans	-56.2	122.9	167.4	35.2	0	0	0	0	110.9
195	T	37.2	Very low	34.4	Very low	124 Å²	124	131.7 Å²	131.7	76%	0.761	79%	0.794	S	S	*	*			trans	-144.8	97.9	142.7	-39.5	0	0	0	0	108.8	S193 V197	S193-T195 PolarHBondContact O-N 2.89Å; T195-V197 HydrophobicContact CG2-CG2 3.99Å; T195-V197 PolarHBondContact O-N 3.3Å
196	T	31	Very low	34.6	Very low	121 Å²	121	125.2 Å²	125.2	74%	0.742	79%	0.788	S	S	*	*			trans	-73.7	116.2	165.3	-45.7	0	0	0	0	107.3
197	V	34.6	Very low	34.5	Very low	116 Å²	116	125 Å²	125	70%	0.703	79%	0.789	S	S	*	*			trans	-126.4	103.1	161.6	-173.6	0	0	0	0	108.1	T195	T195-V197 HydrophobicContact CG2-CG2 3.99Å; T195-V197 PolarHBondContact O-N 3.3Å
198	S	29.7	Very low	34.7	Very low	109 Å²	109	124.5 Å²	124.5	76%	0.762	79%	0.79	S	S	*	*			trans	-79.3	124.6	166.8	-55.6	0	0	0	0	108.4
199	S	35.2	Very low	34.8	Very low	109 Å²	109	125 Å²	125	76%	0.762	79%	0.792	S	S	*	*			trans	-143.4	111.2	164.7	55.1	0	0	0	0	111.5
200	R	31.3	Very low	35.1	Very low	261 Å²	261	126.2 Å²	126.2	99%	0.985	80%	0.795	S	S	*	*			trans	-68.7	138.9	159.8	-113.5	175.8	175.9	-166.8	-1	108.8
201	G	33	Very low	35.1	Very low	69 Å²	69	125.9 Å²	125.9	71%	0.711	79%	0.793	S	S	*	*			trans	169.2	100.1	165.3	0	0	0	0	0	108.9
202	S	39.2	Very low	35	Very low	122 Å²	122	125 Å²	125	85%	0.853	80%	0.795	S	S	*	*				54.7	100.8	72.3	-169	0	0	0	0	111.5
203	S	34.7	Very low	35.4	Very low	105 Å²	105	124.1 Å²	124.1	73%	0.734	80%	0.795	S	S	*	*			trans	-56.8	121.7	171.9	45.1	0	0	0	0	111.9
204	D	41.7	Very low	35.2	Very low	165 Å²	165	121.9 Å²	121.9	88%	0.882	79%	0.791	S	S	*	*				-170.8	153.3	126.4	-105.1	-30.1	0	0	0	112.4
205	A	37	Very low	35.4	Very low	104 Å²	104	121.9 Å²	121.9	86%	0.86	79%	0.791	S	S	*	*			trans	-60	145.9	-163.8	0	0	0	0	0	116.6
206	G	36.5	Very low	35.5	Very low	62 Å²	62	120.8 Å²	120.8	64%	0.639	79%	0.788	S	S	*	*			trans	168.9	132.9	161.9	0	0	0	0	0	112.6
207	P	31.5	Very low	35.6	Very low	135 Å²	135	121.4 Å²	121.4	88%	0.877	79%	0.791	S	S	*	*			trans	-75.2	135.1	-173.8	32.7	-32	0	0	0	109.6
208	S	34.7	Very low	35.7	Very low	107 Å²	107	124.3 Å²	124.3	75%	0.748	80%	0.797	S	S	*	*			trans	-137.2	111.8	171.5	-75.5	0	0	0	0	110.7
209	T	34	Very low	35.9	Very low	141 Å²	141	127.9 Å²	127.9	87%	0.865	80%	0.799	S	S	*	*			trans	-48.6	127.7	164.1	32.2	0	0	0	0	111.7
210	V	39.6	Very low	36.1	Very low	130 Å²	130	131.9 Å²	131.9	79%	0.788	80%	0.804	S	S	*	*			trans	-98.8	107.8	170.4	174.6	0	0	0	0	108.7
211	S	31.6	Very low	36.4	Very low	107 Å²	107	125.3 Å²	125.3	75%	0.748	79%	0.793	S	S	*	*			trans	-75.1	123.1	164.2	-68	0	0	0	0	109.3
212	T	40.3	Very low	36.8	Very low	136 Å²	136	132.3 Å²	132.3	83%	0.834	82%	0.821	S	S	*	*			trans	-92.4	107.6	166.9	19.5	0	0	0	0	108.5	G214	T212-G214 PolarHBondContact O-N 3.45Å
213	T	40.1	Very low	36.7	Very low	134 Å²	134	132.8 Å²	132.8	82%	0.822	82%	0.819	S	S	*	*			trans	-82.4	110.6	170.7	-45.3	0	0	0	0	108.2
214	G	33.6	Very low	36.8	Very low	68 Å²	68	134.3 Å²	134.3	70%	0.701	82%	0.824	S	S	*	*			trans	-83.4	145	173.1	0	0	0	0	0	112.6	T212	T212-G214 PolarHBondContact O-N 3.45Å
215	T	37.2	Very low	36.6	Very low	135 Å²	135	132.6 Å²	132.6	83%	0.828	82%	0.82	S	S	*	*			trans	-154.1	137.5	160.5	35.6	0	0	0	0	105.7
216	S	39.1	Very low	36.5	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	82%	0.818	S	S	*	*			cis	-167	130.3	-6.5	46.6	0	0	0	0	106.7
217	V	33	Very low	36.5	Very low	133 Å²	133	138.8 Å²	138.8	81%	0.806	83%	0.829	S	S	*	*			trans	39.7	116.7	142	-155.4	0	0	0	0	119.7
218	E	37	Very low	36.9	Very low	177 Å²	177	139 Å²	139	83%	0.827	83%	0.826	S	S	*	*				-152.4	111.6	128.8	-108.8	-175.7	-172.2	0	0	109.3
219	F	33.1	Very low	37	Very low	184 Å²	184	141.3 Å²	141.3	81%	0.807	83%	0.832	S	S	*	*			trans	-120.7	122.6	164.4	-85.9	-82.7	0	0	0	107.4
220	F	39	Very low	37.3	Very low	194 Å²	194	141.3 Å²	141.3	85%	0.851	83%	0.829	S	S	*	*			trans	-125.5	125	151.9	-75	-80.6	0	0	0	107.5
221	T	38.5	Very low	37.1	Very low	123 Å²	123	142.3 Å²	142.3	76%	0.755	83%	0.832	S	S	*	*			trans	-101.5	130.3	171.7	-48	0	0	0	0	107.3
222	V	42.5	Very low	37.6	Very low	215 Å²	215	145.5 Å²	145.5	100%	1.303	84%	0.84	S	S	*	*			trans	30.9	0	166.5	-170.9	0	0	0	0	117.9

Retrieved 222 of 222 residues in 228.3 ms (Link to these results)

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