A0A077ZHQ1_TRITR Loading...

Transient receptor potential cation channel famil y protein M member 2

AlphaFold DB , UniProt , Accession A0A077ZHQ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 228 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	69.7	Low	87.3	Confident	167 Å²	167	102.6 Å²	102.6	82%	0.823	52%	0.518	S	S	*	.				0	-40.5	0	-62.3	-176.1	-173.2	0	0	113.3	R72	M1-R72 PolarHBondContact O-NH1 2.72Å
2	R	85.5	Confident	87.8	Confident	122 Å²	122	106.7 Å²	106.7	46%	0.46	54%	0.54	S	S	.	.			trans	-67	-47.5	179.5	-69.1	-173.9	177.2	-178	-5.8	114	W4 G71 R72	R2-W4 PolarHBondContact O-N 3.48Å; R2-G71 CarbonylContact O-C 3.48Å; R2-G71 WeakPolarHBondContact O-CA 3.49Å; R2-R72 PolarHBondContact O-N 3.47Å
3	A	89.4	Confident	88.3	Confident	43 Å²	43	99.1 Å²	99.1	36%	0.355	50%	0.503	S	S	.	.	S	Bend	trans	-53.5	133	-180	0	0	0	0	0	111.6	E5 V6 R72	A3-E5 WeakPolarHBondContact CB-OE2 3.41Å; A3-E5 PolarHBondContact O-N 2.96Å; A3-V6 HydrophobicContact CB-CG2 4.19Å; A3-V6 WeakPolarHBondContact O-CB 3.33Å; A3-V6 PolarHBondContact O-N 3.15Å; A3-V6 VanDerWaalsContact O-N 3.14Å; A3-R72 PolarHBondContact O-NH1 2.95Å
4	W	91.6	Very high	88.9	Confident	62 Å²	62	98.3 Å²	98.3	24%	0.235	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.5	-174.5	-69.4	111.7	0	0	0	112.7	R2 V6 Y11 L67 N68 R72 D147	R2-W4 PolarHBondContact O-N 3.48Å; W4-V6 PolarHBondContact O-N 3.5Å; W4-Y11 HydrophobicContact CH2-CE1 4.1Å; W4-Y11 HydrophobicContact CZ3-CD1 4.32Å; W4-Y11 HydrophobicContact CZ3-CE1 4.09Å; W4-L67 HydrophobicContact CD2-CD1 4.11Å; W4-L67 HydrophobicContact CE3-CD1 4.39Å; W4-L67 HydrophobicContact CG-CD1 4.37Å; W4-L67 HydrophobicContact CH2-CD2 4.06Å; W4-L67 HydrophobicContact CZ2-CB 4.26Å; W4-L67 HydrophobicContact CZ2-CD2 3.98Å; W4-L67 HydrophobicContact CZ3-CD2 4.48Å; W4-N68 PolarHBondContact NE1-O 3.44Å; W4-R72 HydrophobicContact CD2-CG 4.19Å; W4-R72 HydrophobicContact CE3-CG 3.71Å; W4-R72 HydrophobicContact CH2-CB 4.47Å; W4-R72 HydrophobicContact CH2-CG 3.62Å; W4-R72 HydrophobicContact CZ2-CG 4.1Å; W4-R72 HydrophobicContact CZ3-CG 3.41Å; W4-R72 VanDerWaalsContact CZ3-CG 3.41Å; W4-R72 PolarHBondContact O-NH2 3.49Å; W4-D147 HydrophobicContact CH2-CB 3.96Å; W4-D147 HydrophobicContact CZ2-CB 4.01Å
5	E	88.9	Confident	89.4	Confident	166 Å²	166	98.5 Å²	98.5	78%	0.776	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.7	178.6	-54	78.8	-173.5	0	0	112.5	A3 D7	A3-E5 WeakPolarHBondContact CB-OE2 3.41Å; A3-E5 PolarHBondContact O-N 2.96Å; E5-D7 PolarHBondContact O-N 3.21Å
6	V	89.4	Confident	89.8	Confident	65 Å²	65	96.6 Å²	96.6	39%	0.394	49%	0.492	S	S	.	.	S	Bend	trans	-76.4	119.2	172.8	179.8	0	0	0	0	107.7	A3 W4 Y8 R72	A3-V6 HydrophobicContact CB-CG2 4.19Å; A3-V6 WeakPolarHBondContact O-CB 3.33Å; A3-V6 PolarHBondContact O-N 3.15Å; A3-V6 VanDerWaalsContact O-N 3.14Å; W4-V6 PolarHBondContact O-N 3.5Å; V6-Y8 PolarHBondContact O-N 2.95Å; V6-R72 PolarHBondContact O-NH1 3.12Å; V6-R72 PolarHBondContact O-NH2 2.99Å; V6-R72 VanDerWaalsContact O-NH2 3.1Å
7	D	88.7	Confident	89.8	Confident	131 Å²	131	102 Å²	102	70%	0.701	51%	0.511	S	S	*	.			trans	-58	126.1	173.6	-176.8	18.4	0	0	0	109.8	E5 S9	E5-D7 PolarHBondContact O-N 3.21Å; D7-S9 PolarHBondContact OD1-N 2.73Å; D7-S9 VanDerWaalsContact OD1-N 3.16Å
8	Y	88.6	Confident	89.9	Confident	99 Å²	99	98.1 Å²	98.1	39%	0.388	49%	0.493	S	S	.	.			trans	-151.6	65.5	174.9	-161.6	-132.9	0	0	0	107.2	V6 N10 Y11	V6-Y8 PolarHBondContact O-N 2.95Å; Y8-N10 WeakPolarHBondContact CD2-OD1 3.48Å; Y8-N10 VanDerWaalsContact CE2-OD1 3.3Å; Y8-N10 WeakPolarHBondContact CE2-OD1 3.43Å; Y8-N10 PolarHBondContact O-N 2.79Å; Y8-N10 VanDerWaalsContact O-N 3.12Å; Y8-Y11 AromaticContact CD1-CD2 3.93Å; Y8-Y11 HydrophobicContact CD1-CD2 3.93Å; Y8-Y11 HydrophobicContact CD1-CG 4.14Å; Y8-Y11 HydrophobicContact CE1-CD2 4.06Å; Y8-Y11 WeakPolarHBondContact O-CB 3.46Å; Y8-Y11 PolarHBondContact O-N 3.42Å
9	S	84.5	Confident	90	Very high	111 Å²	111	97.4 Å²	97.4	78%	0.776	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-25	-171.5	53.4	0	0	0	0	115	D7	D7-S9 PolarHBondContact OD1-N 2.73Å; D7-S9 VanDerWaalsContact OD1-N 3.16Å
10	N	90.6	Very high	90.1	Very high	108 Å²	108	95.8 Å²	95.8	58%	0.578	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	14.9	176.5	65	-28	0	0	0	113.8	Y8 I12	Y8-N10 WeakPolarHBondContact CD2-OD1 3.48Å; Y8-N10 VanDerWaalsContact CE2-OD1 3.3Å; Y8-N10 WeakPolarHBondContact CE2-OD1 3.43Å; Y8-N10 PolarHBondContact O-N 2.79Å; Y8-N10 VanDerWaalsContact O-N 3.12Å; N10-I12 PolarHBondContact O-N 3.15Å; N10-I12 VanDerWaalsContact O-N 3.15Å
11	Y	93.3	Very high	90.1	Very high	55 Å²	55	99.2 Å²	99.2	22%	0.216	50%	0.501	C	S	.	.			trans	-66.3	112.4	177.7	-178.5	-119.4	0	0	0	111.9	W4 Y8 A13 R72 G74 D147	W4-Y11 HydrophobicContact CH2-CE1 4.1Å; W4-Y11 HydrophobicContact CZ3-CD1 4.32Å; W4-Y11 HydrophobicContact CZ3-CE1 4.09Å; Y8-Y11 AromaticContact CD1-CD2 3.93Å; Y8-Y11 HydrophobicContact CD1-CD2 3.93Å; Y8-Y11 HydrophobicContact CD1-CG 4.14Å; Y8-Y11 HydrophobicContact CE1-CD2 4.06Å; Y8-Y11 WeakPolarHBondContact O-CB 3.46Å; Y8-Y11 PolarHBondContact O-N 3.42Å; Y11-A13 HydrophobicContact CE1-CB 3.9Å; Y11-A13 HydrophobicContact CE2-CB 4.41Å; Y11-A13 WeakPolarHBondContact OH-CB 3.38Å; Y11-R72 HydrophobicContact CD1-CG 4.04Å; Y11-R72 HydrophobicContact CE1-CB 4.15Å; Y11-R72 HydrophobicContact CE1-CG 3.66Å; Y11-R72 HydrophobicContact CE2-CB 4.08Å; Y11-R72 HydrophobicContact CE2-CG 4.22Å; Y11-R72 HydrophobicContact CG-CG 4.46Å; Y11-G74 VanDerWaalsContact OH-CA 3.31Å; Y11-G74 WeakPolarHBondContact OH-CA 3.1Å; Y11-G74 PolarHBondContact OH-N 3.02Å; Y11-D147 WeakPolarHBondContact CE1-OD2 3.45Å; Y11-D147 VanDerWaalsContact CZ-OD2 3.25Å; Y11-D147 VanDerWaalsContact OH-CG 3.23Å; Y11-D147 PolarHBondContact OH-OD1 3.21Å; Y11-D147 PolarHBondContact OH-OD2 3.16Å
12	I	92.8	Very high	91.1	Very high	151 Å²	151	96.5 Å²	96.5	77%	0.774	48%	0.482	S	S	*	.			trans	-121.2	102.8	172.5	-56.5	175.7	0	0	0	108.1	N10	N10-I12 PolarHBondContact O-N 3.15Å; N10-I12 VanDerWaalsContact O-N 3.15Å
13	A	94.7	Very high	91.2	Very high	8 Å²	8	95.2 Å²	95.2	7%	0.066	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-73.8	140.9	176.2	0	0	0	0	0	111.7	Y11 L15 G74 R76 D147	Y11-A13 HydrophobicContact CE1-CB 3.9Å; Y11-A13 HydrophobicContact CE2-CB 4.41Å; Y11-A13 WeakPolarHBondContact OH-CB 3.38Å; A13-L15 PolarHBondContact O-N 3.11Å; A13-G74 WeakPolarHBondContact CA-O 3.15Å; A13-R76 HydrophobicContact CB-CB 3.74Å; A13-R76 HydrophobicContact CB-CG 3.9Å; A13-R76 PolarHBondContact O-NE 3.35Å; A13-D147 WeakPolarHBondContact CB-OD2 3.43Å
14	T	97	Very high	91.3	Very high	88 Å²	88	98.8 Å²	98.8	54%	0.54	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	126.5	173.6	-61.9	0	0	0	0	109.2	W16 G74 Y75 R76	T14-W16 PolarHBondContact O-N 3.26Å; T14-G74 PolarHBondContact N-O 3.06Å; T14-Y75 HydrophobicContact CG2-CD1 4.18Å; T14-Y75 HydrophobicContact CG2-CE1 4.17Å; T14-Y75 CarbonylContact O-C 3.5Å; T14-Y75 VanDerWaalsContact O-CA 3.27Å; T14-Y75 WeakPolarHBondContact O-CA 3.28Å; T14-R76 PolarHBondContact O-N 3.5Å
15	L	96.4	Very high	91.5	Very high	102 Å²	102	96.7 Å²	96.7	53%	0.534	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	116.6	176.2	177.6	64.4	0	0	0	109.7	A13 R76	A13-L15 PolarHBondContact O-N 3.11Å; L15-R76 HydrophobicContact CB-CG 4.3Å; L15-R76 HydrophobicContact CD1-CG 4.16Å
16	W	95.4	Very high	91.8	Very high	68 Å²	68	89.1 Å²	89.1	26%	0.258	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	100.8	172.2	-167.9	0.7	0	0	0	110.1	T14 T18 Y75 R76 G79 I80 T146	T14-W16 PolarHBondContact O-N 3.26Å; W16-T18 VanDerWaalsContact CD1-CG2 3.47Å; W16-Y75 HydrophobicContact CB-CD1 4.28Å; W16-Y75 HydrophobicContact CE3-CD1 4.26Å; W16-Y75 HydrophobicContact CE3-CG 4.14Å; W16-R76 PolarHBondContact N-O 3.29Å; W16-G79 WeakPolarHBondContact O-CA 3.04Å; W16-G79 PolarHBondContact O-N 3.43Å; W16-I80 HydrophobicContact CH2-CD1 4.4Å; W16-I80 HydrophobicContact CZ2-CD1 3.76Å; W16-I80 HydrophobicContact CZ2-CG1 4.04Å; W16-T146 HydrophobicContact CE3-CG2 4.17Å
17	K	90.6	Very high	92	Very high	188 Å²	188	91.3 Å²	91.3	82%	0.817	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.3	176.1	-174.4	176.8	179.9	-179	0	109.3
18	T	90.7	Very high	92	Very high	31 Å²	31	86.4 Å²	86.4	19%	0.19	46%	0.462	C	S	.	.			trans	-133.2	157.8	177.1	77.7	0	0	0	0	111.1	W16 G79 I80	W16-T18 VanDerWaalsContact CD1-CG2 3.47Å; T18-G79 PolarHBondContact OG1-O 2.98Å; T18-I80 HydrophobicContact CG2-CG1 4.02Å
19	P	91.4	Very high	92	Very high	86 Å²	86	85.4 Å²	85.4	56%	0.558	46%	0.46	S	S	*	.			trans	-57.9	157.8	167.7	-22	33.7	0	0	0	112.1	Y21	P19-Y21 HydrophobicContact CB-CE2 4.44Å; P19-Y21 WeakPolarHBondContact O-CD2 3.3Å; P19-Y21 PolarHBondContact O-N 3.4Å
20	C	92.6	Very high	92.1	Very high	64 Å²	64	86 Å²	86	43%	0.432	46%	0.464	S	S	.	.			trans	-73.6	116.5	170.6	-175.4	0	0	0	0	109.8	W22 C25	C20-W22 PolarHBondContact SG-O 2.89Å; C20-C25 VanDerWaalsContact CA-SG 3.57Å; C20-C25 HydrophobicContact CB-CB 3.74Å; C20-C25 WeakPolarHBondContact CB-SG 3.23Å; C20-C25 WeakPolarHBondContact SG-CB 3.38Å; C20-C25 CovalentContact SG-SG 2.03Å; C20-C25 PolarHBondContact SG-SG 2.84Å
21	Y	90.7	Very high	92.2	Very high	168 Å²	168	83.3 Å²	83.3	66%	0.659	45%	0.45	S	S	*	.			trans	-99.1	2.1	173	-62.3	-71.7	0	0	0	113.1	P19	P19-Y21 HydrophobicContact CB-CE2 4.44Å; P19-Y21 WeakPolarHBondContact O-CD2 3.3Å; P19-Y21 PolarHBondContact O-N 3.4Å
22	W	89.6	Confident	92	Very high	110 Å²	110	89.3 Å²	89.3	42%	0.417	47%	0.473	S	S	.	.	S	Bend	trans	-101.6	163.1	180	-57.3	86.6	0	0	0	109.8	C20 E24 I80 P82 W144	C20-W22 PolarHBondContact SG-O 2.89Å; W22-E24 PolarHBondContact O-N 3.29Å; W22-I80 PolarHBondContact NE1-O 3.45Å; W22-P82 HydrophobicContact CB-CB 4.08Å; W22-P82 HydrophobicContact CD2-CB 4.39Å; W22-P82 HydrophobicContact CD2-CG 4.08Å; W22-P82 HydrophobicContact CG-CB 3.82Å; W22-P82 HydrophobicContact CG-CG 4.04Å; W22-W144 AromaticContact CZ2-CZ3 3.95Å; W22-W144 HydrophobicContact CZ2-CZ3 3.95Å
23	G	89.2	Confident	92	Very high	95 Å²	95	88.8 Å²	88.8	98%	0.979	47%	0.472	S	S	*	.	S	Bend	trans	-60.3	-28.1	176.2	0	0	0	0	0	113.1
24	E	90.5	Very high	91.9	Very high	118 Å²	118	89.7 Å²	89.7	55%	0.551	48%	0.475	S	S	*	.	S	Bend	trans	-149.1	135.9	175.7	-161.7	-160	125.3	0	0	110	W22 P82 R83	W22-E24 PolarHBondContact O-N 3.29Å; E24-P82 WeakPolarHBondContact O-CB 3.45Å; E24-R83 IonicContact OE1-CZ 3.47Å; E24-R83 IonicContact OE1-NH1 3.14Å; E24-R83 PolarHBondContact OE1-NH1 3.31Å; E24-R83 IonicContact OE1-NH2 2.69Å; E24-R83 PolarHBondContact OE1-NH2 3.42Å; E24-R83 IonicContact OE2-NH2 3.23Å; E24-R83 PolarHBondContact OE2-NH2 2.99Å
25	C	94.9	Very high	91.8	Very high	18 Å²	18	92 Å²	92	12%	0.122	48%	0.478	C	S	.	.			trans	-131.3	153.9	173	-61.2	0	0	0	0	110.8	C20 P82	C20-C25 VanDerWaalsContact CA-SG 3.57Å; C20-C25 HydrophobicContact CB-CB 3.74Å; C20-C25 WeakPolarHBondContact CB-SG 3.23Å; C20-C25 WeakPolarHBondContact SG-CB 3.38Å; C20-C25 CovalentContact SG-SG 2.03Å; C20-C25 PolarHBondContact SG-SG 2.84Å; C25-P82 CarbonylContact C-O 3.59Å; C25-P82 WeakPolarHBondContact CA-O 3.41Å; C25-P82 HydrophobicContact CB-CB 4.43Å
26	D	95.9	Very high	91.8	Very high	8 Å²	8	88.1 Å²	88.1	4%	0.043	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-61.3	144.3	168.5	-76.7	-10.8	0	0	0	111.2	F34 R47 R78 P82 R83 W84	D26-F34 HydrophobicContact CB-CE1 4.48Å; D26-F34 HydrophobicContact CB-CE2 3.8Å; D26-F34 HydrophobicContact CB-CZ 3.62Å; D26-R47 IonicContact OD1-CZ 3.7Å; D26-R47 IonicContact OD1-NH1 2.83Å; D26-R47 IonicContact OD1-NH2 2.73Å; D26-R47 PolarHBondContact OD1-NH2 3.39Å; D26-R47 IonicContact OD2-CZ 3.86Å; D26-R47 IonicContact OD2-NH1 3.85Å; D26-R47 PolarHBondContact OD2-NH1 2.9Å; D26-R47 IonicContact OD2-NH2 3.92Å; D26-R47 PolarHBondContact OD2-NH2 2.87Å; D26-R78 PolarHBondContact O-NE 3.47Å; D26-R78 PolarHBondContact O-NH2 3.43Å; D26-P82 PolarHBondContact N-O 3.02Å; D26-R83 WeakPolarHBondContact OD1-CD 3.35Å; D26-R83 IonicContact OD1-NH1 3.36Å; D26-R83 PolarHBondContact OD1-NH1 2.81Å; D26-R83 WeakPolarHBondContact OD2-CA 3.03Å; D26-W84 PolarHBondContact OD2-N 3.23Å
27	Q	93.1	Very high	91.9	Very high	110 Å²	110	88.7 Å²	88.7	51%	0.514	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-70.1	168.6	174	-59.9	-62.3	-14.9	0	0	111.4	D31 F34 W84	Q27-D31 HydrophobicContact CB-CB 4Å; Q27-F34 HydrophobicContact CB-CB 3.91Å; Q27-F34 HydrophobicContact CB-CD2 4.07Å; Q27-F34 HydrophobicContact CB-CG 3.89Å; Q27-F34 WeakPolarHBondContact O-CE1 3.41Å; Q27-W84 PolarHBondContact O-NE1 3.43Å
28	G	90.5	Very high	92.2	Very high	29 Å²	29	81.2 Å²	81.2	30%	0.299	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-73.4	153.4	168.1	0	0	0	0	0	110.9	S30 D31	G28-S30 PolarHBondContact O-N 3.2Å; G28-D31 WeakPolarHBondContact O-CB 3.28Å; G28-D31 PolarHBondContact O-N 3.25Å
29	F	88.4	Confident	92.5	Very high	77 Å²	77	81.9 Å²	81.9	34%	0.338	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-7.1	175	-76.5	-91.7	0	0	0	114.6	F34 P36 F38 G64 L65 W84	F29-F34 HydrophobicContact CD2-CE1 4.47Å; F29-F34 HydrophobicContact CE1-CE1 4.45Å; F29-F34 HydrophobicContact CE2-CE1 4.27Å; F29-F34 HydrophobicContact CZ-CE1 4.31Å; F29-P36 HydrophobicContact CE1-CG 4.21Å; F29-P36 HydrophobicContact CZ-CG 4.37Å; F29-F38 HydrophobicContact CE1-CE2 4.34Å; F29-F38 HydrophobicContact CE1-CZ 4.32Å; F29-F38 HydrophobicContact CZ-CE2 4.08Å; F29-F38 AromaticContact CZ-CZ 3.73Å; F29-F38 HydrophobicContact CZ-CZ 3.73Å; F29-G64 WeakPolarHBondContact CE1-O 3.44Å; F29-G64 WeakPolarHBondContact CZ-O 3.35Å; F29-L65 HydrophobicContact CD2-CD2 3.36Å; F29-L65 HydrophobicContact CE1-CD2 4.31Å; F29-L65 HydrophobicContact CE2-CD2 3.11Å; F29-L65 HydrophobicContact CG-CD2 4.05Å; F29-L65 HydrophobicContact CZ-CD2 3.6Å; F29-W84 HydrophobicContact CD2-CD2 4.18Å; F29-W84 AromaticContact CD2-CE2 3.65Å; F29-W84 HydrophobicContact CD2-CH2 4.26Å; F29-W84 AromaticContact CD2-CZ2 3.73Å; F29-W84 HydrophobicContact CD2-CZ2 3.73Å; F29-W84 AromaticContact CD2-NE1 3.89Å; F29-W84 AromaticContact CE2-CD1 3.86Å; F29-W84 AromaticContact CE2-CD2 3.47Å; F29-W84 HydrophobicContact CE2-CD2 3.47Å; F29-W84 VanDerWaalsContact CE2-CD2 3.47Å; F29-W84 AromaticContact CE2-CE2 3.43Å; F29-W84 VanDerWaalsContact CE2-CE2 3.43Å; F29-W84 AromaticContact CE2-CE3 3.95Å; F29-W84 HydrophobicContact CE2-CE3 3.95Å; F29-W84 AromaticContact CE2-CG 3.76Å; F29-W84 HydrophobicContact CE2-CG 3.76Å; F29-W84 HydrophobicContact CE2-CH2 4.32Å; F29-W84 AromaticContact CE2-CZ2 3.9Å; F29-W84 HydrophobicContact CE2-CZ2 3.9Å; F29-W84 HydrophobicContact CE2-CZ3 4.34Å; F29-W84 AromaticContact CE2-NE1 3.66Å; F29-W84 HydrophobicContact CZ-CD2 4.45Å; F29-W84 HydrophobicContact CZ-CG 4.39Å
30	S	86.4	Confident	92.7	Very high	124 Å²	124	82.5 Å²	82.5	87%	0.867	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-16.7	168.5	54.8	0	0	0	0	113	G28	G28-S30 PolarHBondContact O-N 3.2Å
31	D	91.3	Very high	92.7	Very high	51 Å²	51	83.3 Å²	83.3	27%	0.273	43%	0.431	S	S	.	.	S	Bend	trans	-80.1	117.4	175	-173	-24.3	0	0	0	109.8	Q27 G28 N33 F34	Q27-D31 HydrophobicContact CB-CB 4Å; G28-D31 WeakPolarHBondContact O-CB 3.28Å; G28-D31 PolarHBondContact O-N 3.25Å; D31-N33 PolarHBondContact O-N 3.18Å; D31-N33 WeakPolarHBondContact OD1-CB 3.49Å; D31-N33 PolarHBondContact OD1-N 3.03Å; D31-F34 HydrophobicContact CB-CB 3.97Å; D31-F34 WeakPolarHBondContact O-CB 3.3Å; D31-F34 PolarHBondContact O-N 3.38Å
32	Y	89.9	Confident	92.9	Very high	181 Å²	181	76.9 Å²	76.9	71%	0.71	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.8	-179.1	-176.5	-95.1	0	0	0	113.4	F34 K35	Y32-F34 VanDerWaalsContact C-N 3.3Å; Y32-K35 VanDerWaalsContact O-CE 3.27Å; Y32-K35 WeakPolarHBondContact O-CE 3.32Å
33	N	92.2	Very high	93.1	Very high	140 Å²	140	74.7 Å²	74.7	75%	0.749	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-14	179.2	-61.3	-43.6	0	0	0	112.1	D31 K35	D31-N33 PolarHBondContact O-N 3.18Å; D31-N33 WeakPolarHBondContact OD1-CB 3.49Å; D31-N33 PolarHBondContact OD1-N 3.03Å; N33-K35 PolarHBondContact O-N 3.19Å; N33-K35 VanDerWaalsContact O-N 3.17Å
34	F	94.3	Very high	93.1	Very high	28 Å²	28	78.3 Å²	78.3	12%	0.123	42%	0.416	C	S	.	.			trans	-86	88.8	179.8	-171.9	-112.9	0	0	0	111.4	D26 Q27 F29 D31 Y32 P36 W84	D26-F34 HydrophobicContact CB-CE1 4.48Å; D26-F34 HydrophobicContact CB-CE2 3.8Å; D26-F34 HydrophobicContact CB-CZ 3.62Å; Q27-F34 HydrophobicContact CB-CB 3.91Å; Q27-F34 HydrophobicContact CB-CD2 4.07Å; Q27-F34 HydrophobicContact CB-CG 3.89Å; Q27-F34 WeakPolarHBondContact O-CE1 3.41Å; F29-F34 HydrophobicContact CD2-CE1 4.47Å; F29-F34 HydrophobicContact CE1-CE1 4.45Å; F29-F34 HydrophobicContact CE2-CE1 4.27Å; F29-F34 HydrophobicContact CZ-CE1 4.31Å; D31-F34 HydrophobicContact CB-CB 3.97Å; D31-F34 WeakPolarHBondContact O-CB 3.3Å; D31-F34 PolarHBondContact O-N 3.38Å; Y32-F34 VanDerWaalsContact C-N 3.3Å; F34-P36 VanDerWaalsContact C-CD 3.49Å; F34-P36 HydrophobicContact CD1-CG 4.33Å; F34-P36 HydrophobicContact CE1-CB 4.36Å; F34-P36 HydrophobicContact CE1-CG 3.66Å; F34-P36 HydrophobicContact CE2-CB 4.2Å; F34-P36 HydrophobicContact CE2-CG 4.34Å; F34-P36 HydrophobicContact CZ-CB 3.82Å; F34-P36 HydrophobicContact CZ-CG 3.65Å; F34-P36 WeakPolarHBondContact O-CD 3.22Å; F34-W84 AromaticContact CE1-CD1 3.45Å; F34-W84 VanDerWaalsContact CE1-CD1 3.45Å; F34-W84 HydrophobicContact CE1-CG 4.5Å; F34-W84 AromaticContact CE1-NE1 3.67Å; F34-W84 AromaticContact CZ-CD1 3.56Å
35	K	94.4	Very high	93.1	Very high	137 Å²	137	73.6 Å²	73.6	60%	0.596	40%	0.396	S	S	*	.			trans	-118.8	73.3	177.2	-64	179.5	-175.7	172.6	0	110.3	Y32 N33	Y32-K35 VanDerWaalsContact O-CE 3.27Å; Y32-K35 WeakPolarHBondContact O-CE 3.32Å; N33-K35 PolarHBondContact O-N 3.19Å; N33-K35 VanDerWaalsContact O-N 3.17Å
36	P	96.3	Very high	93	Very high	19 Å²	19	73.8 Å²	73.8	12%	0.123	40%	0.396	C	S	.	.			trans	-66.9	138	-174.1	28.6	-36.7	0	0	0	112	F29 F34 F38 D42	F29-P36 HydrophobicContact CE1-CG 4.21Å; F29-P36 HydrophobicContact CZ-CG 4.37Å; F34-P36 VanDerWaalsContact C-CD 3.49Å; F34-P36 HydrophobicContact CD1-CG 4.33Å; F34-P36 HydrophobicContact CE1-CB 4.36Å; F34-P36 HydrophobicContact CE1-CG 3.66Å; F34-P36 HydrophobicContact CE2-CB 4.2Å; F34-P36 HydrophobicContact CE2-CG 4.34Å; F34-P36 HydrophobicContact CZ-CB 3.82Å; F34-P36 HydrophobicContact CZ-CG 3.65Å; F34-P36 WeakPolarHBondContact O-CD 3.22Å; P36-F38 HydrophobicContact CB-CD1 4.45Å; P36-F38 HydrophobicContact CB-CE1 3.93Å; P36-F38 HydrophobicContact CB-CE2 4.45Å; P36-F38 HydrophobicContact CB-CZ 3.91Å; P36-F38 HydrophobicContact CG-CE1 3.87Å; P36-F38 HydrophobicContact CG-CE2 3.72Å; P36-F38 HydrophobicContact CG-CZ 3.32Å; P36-F38 PolarHBondContact O-N 2.74Å; P36-D42 WeakPolarHBondContact CA-OD2 3.29Å
37	N	96.8	Very high	93	Very high	80 Å²	80	73.8 Å²	73.8	43%	0.428	40%	0.395	S	S	.	.			trans	-91	93.4	173	-61.9	-65.4	0	0	0	110.8	Q40 D42 R47	N37-Q40 HydrophobicContact CB-CG 3.68Å; N37-Q40 VanDerWaalsContact O-CG 3.25Å; N37-Q40 WeakPolarHBondContact O-CG 3.47Å; N37-D42 HydrophobicContact CB-CB 4.19Å; N37-D42 PolarHBondContact N-OD2 3.38Å; N37-D42 PolarHBondContact ND2-OD1 3.46Å; N37-R47 WeakPolarHBondContact O-CD 3.24Å
38	F	97.3	Very high	93.1	Very high	31 Å²	31	69.5 Å²	69.5	14%	0.136	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	156.9	-178.1	-65.4	-53.9	0	0	0	114	F29 P36 Q40 Y59 I61 G64 P66 W84	F29-F38 HydrophobicContact CE1-CE2 4.34Å; F29-F38 HydrophobicContact CE1-CZ 4.32Å; F29-F38 HydrophobicContact CZ-CE2 4.08Å; F29-F38 AromaticContact CZ-CZ 3.73Å; F29-F38 HydrophobicContact CZ-CZ 3.73Å; P36-F38 HydrophobicContact CB-CD1 4.45Å; P36-F38 HydrophobicContact CB-CE1 3.93Å; P36-F38 HydrophobicContact CB-CE2 4.45Å; P36-F38 HydrophobicContact CB-CZ 3.91Å; P36-F38 HydrophobicContact CG-CE1 3.87Å; P36-F38 HydrophobicContact CG-CE2 3.72Å; P36-F38 HydrophobicContact CG-CZ 3.32Å; P36-F38 PolarHBondContact O-N 2.74Å; F38-Q40 PolarHBondContact O-N 3.36Å; F38-Y59 HydrophobicContact CB-CE2 3.85Å; F38-Y59 WeakPolarHBondContact CB-OH 3.34Å; F38-Y59 HydrophobicContact CD1-CE2 4.14Å; F38-Y59 VanDerWaalsContact CD1-OH 3.28Å; F38-Y59 WeakPolarHBondContact CD1-OH 3.46Å; F38-Y59 HydrophobicContact CG-CE2 4.11Å; F38-I61 HydrophobicContact CB-CD1 3.61Å; F38-I61 HydrophobicContact CB-CG1 4.17Å; F38-I61 HydrophobicContact CD2-CD1 3.41Å; F38-I61 VanDerWaalsContact CD2-CD1 3.41Å; F38-I61 HydrophobicContact CD2-CG1 3.97Å; F38-I61 HydrophobicContact CD2-CG2 4.34Å; F38-I61 HydrophobicContact CE2-CD1 4.23Å; F38-I61 HydrophobicContact CG-CD1 3.59Å; F38-I61 HydrophobicContact CG-CG1 4.39Å; F38-G64 WeakPolarHBondContact CE2-O 3.28Å; F38-P66 HydrophobicContact CE1-CG 4.2Å; F38-P66 HydrophobicContact CZ-CG 4.25Å; F38-W84 HydrophobicContact CE1-CB 4.08Å; F38-W84 HydrophobicContact CZ-CB 4.29Å
39	N	96.9	Very high	93.2	Very high	46 Å²	46	68.8 Å²	68.8	25%	0.246	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	16.3	-179.7	-63.9	-68.3	0	0	0	115	R47 T58 Y59	N39-R47 WeakPolarHBondContact CA-O 3.38Å; N39-R47 PolarHBondContact N-O 3.38Å; N39-R47 VanDerWaalsContact N-O 3.13Å; N39-T58 HydrophobicContact CB-CG2 4.2Å; N39-T58 VanDerWaalsContact OD1-CA 3.28Å; N39-T58 WeakPolarHBondContact OD1-CA 3.21Å; N39-T58 WeakPolarHBondContact OD1-CB 3.43Å; N39-Y59 PolarHBondContact N-OH 2.95Å; N39-Y59 VanDerWaalsContact N-OH 3.16Å; N39-Y59 PolarHBondContact ND2-O 3.44Å; N39-Y59 VanDerWaalsContact OD1-CD1 3.23Å; N39-Y59 WeakPolarHBondContact OD1-CD1 3.33Å; N39-Y59 VanDerWaalsContact OD1-CE1 3.3Å; N39-Y59 WeakPolarHBondContact OD1-CE1 3.46Å; N39-Y59 PolarHBondContact OD1-N 3.28Å
40	Q	95.7	Very high	93.3	Very high	98 Å²	98	65.3 Å²	65.3	46%	0.458	35%	0.348	S	S	.	.	S	Bend	trans	-143.4	175.9	176.8	61.9	-178.8	54.8	0	0	111.9	N37 F38 R47 R48	N37-Q40 HydrophobicContact CB-CG 3.68Å; N37-Q40 VanDerWaalsContact O-CG 3.25Å; N37-Q40 WeakPolarHBondContact O-CG 3.47Å; F38-Q40 PolarHBondContact O-N 3.36Å; Q40-R47 WeakPolarHBondContact O-CA 3.48Å; Q40-R47 WeakPolarHBondContact O-CB 3.11Å; Q40-R47 PolarHBondContact O-N 3.11Å; Q40-R48 VanDerWaalsContact CA-CG 3.45Å
41	I	93.4	Very high	93.3	Very high	81 Å²	81	67.1 Å²	67.1	42%	0.415	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.2	167.3	-61.5	178.2	0	0	0	107.1	G43 R48	I41-G43 WeakPolarHBondContact CG2-O 3.29Å; I41-R48 VanDerWaalsContact CG1-CZ 3.49Å
42	D	94.8	Very high	93	Very high	34 Å²	34	65.8 Å²	65.8	18%	0.182	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	89.2	-176	-172.6	30.8	0	0	0	109.4	P36 N37 N44 V45 R47	P36-D42 WeakPolarHBondContact CA-OD2 3.29Å; N37-D42 HydrophobicContact CB-CB 4.19Å; N37-D42 PolarHBondContact N-OD2 3.38Å; N37-D42 PolarHBondContact ND2-OD1 3.46Å; D42-N44 PolarHBondContact O-N 3.03Å; D42-V45 PolarHBondContact N-O 3.47Å; D42-V45 PolarHBondContact O-N 2.97Å; D42-R47 HydrophobicContact CB-CG 4.11Å; D42-R47 IonicContact OD2-CZ 2.73Å; D42-R47 IonicContact OD2-NE 3.53Å; D42-R47 PolarHBondContact OD2-NE 3.5Å; D42-R47 IonicContact OD2-NH2 3.56Å
43	G	93.1	Very high	92.5	Very high	64 Å²	64	63.2 Å²	63.2	66%	0.66	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	-116.4	-169.8	0	0	0	0	0	111.3	I41	I41-G43 WeakPolarHBondContact CG2-O 3.29Å
44	N	89	Confident	92	Very high	171 Å²	171	58.9 Å²	58.9	91%	0.914	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	1.4	178.3	-65.7	-29.9	0	0	0	113.4	D42	D42-N44 PolarHBondContact O-N 3.03Å
45	V	91.3	Very high	91.4	Very high	19 Å²	19	58.7 Å²	58.7	12%	0.115	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.4	-178.4	-175.2	0	0	0	0	109.4	D42 R47 R83	D42-V45 PolarHBondContact N-O 3.47Å; D42-V45 PolarHBondContact O-N 2.97Å; V45-R47 HydrophobicContact CB-CG 4.48Å; V45-R47 HydrophobicContact CG1-CG 3.86Å; V45-R47 PolarHBondContact O-N 3.24Å; V45-R83 HydrophobicContact CG1-CG 4.17Å
46	D	92.2	Very high	91	Very high	22 Å²	22	56.3 Å²	56.3	12%	0.118	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	108.4	169.3	-168.3	-4.1	0	0	0	109.5	R48 H88 A95	D46-R48 VanDerWaalsContact OD1-CB 3.29Å; D46-R48 WeakPolarHBondContact OD1-CB 3.37Å; D46-R48 VanDerWaalsContact OD1-CG 3.32Å; D46-R48 WeakPolarHBondContact OD1-CG 3.49Å; D46-R48 IonicContact OD1-CZ 3.52Å; D46-R48 PolarHBondContact OD1-N 3.26Å; D46-R48 VanDerWaalsContact OD1-N 3.09Å; D46-R48 IonicContact OD1-NE 2.75Å; D46-R48 PolarHBondContact OD1-NE 2.91Å; D46-R48 IonicContact OD1-NH2 3.48Å; D46-R48 PolarHBondContact OD1-NH2 3.36Å; D46-R48 IonicContact OD2-CZ 3.53Å; D46-R48 IonicContact OD2-NE 3.5Å; D46-R48 PolarHBondContact OD2-NE 3.28Å; D46-R48 IonicContact OD2-NH2 2.71Å; D46-R48 PolarHBondContact OD2-NH2 2.97Å; D46-H88 PolarHBondContact O-NE2 3.47Å; D46-A95 PolarHBondContact OD2-N 3.45Å
47	R	95.6	Very high	90.7	Very high	8 Å²	8	60.4 Å²	60.4	3%	0.03	34%	0.341	C	S	.	.			trans	-102.4	20.5	178.4	-55.8	-176.7	178.4	-74.5	-5	111.8	D26 N37 N39 Q40 D42 V45 Y59	D26-R47 IonicContact OD1-CZ 3.7Å; D26-R47 IonicContact OD1-NH1 2.83Å; D26-R47 IonicContact OD1-NH2 2.73Å; D26-R47 PolarHBondContact OD1-NH2 3.39Å; D26-R47 IonicContact OD2-CZ 3.86Å; D26-R47 IonicContact OD2-NH1 3.85Å; D26-R47 PolarHBondContact OD2-NH1 2.9Å; D26-R47 IonicContact OD2-NH2 3.92Å; D26-R47 PolarHBondContact OD2-NH2 2.87Å; N37-R47 WeakPolarHBondContact O-CD 3.24Å; N39-R47 WeakPolarHBondContact CA-O 3.38Å; N39-R47 PolarHBondContact N-O 3.38Å; N39-R47 VanDerWaalsContact N-O 3.13Å; Q40-R47 WeakPolarHBondContact O-CA 3.48Å; Q40-R47 WeakPolarHBondContact O-CB 3.11Å; Q40-R47 PolarHBondContact O-N 3.11Å; D42-R47 HydrophobicContact CB-CG 4.11Å; D42-R47 IonicContact OD2-CZ 2.73Å; D42-R47 IonicContact OD2-NE 3.53Å; D42-R47 PolarHBondContact OD2-NE 3.5Å; D42-R47 IonicContact OD2-NH2 3.56Å; V45-R47 HydrophobicContact CB-CG 4.48Å; V45-R47 HydrophobicContact CG1-CG 3.86Å; V45-R47 PolarHBondContact O-N 3.24Å; R47-Y59 VanDerWaalsContact O-CE1 3.24Å; R47-Y59 WeakPolarHBondContact O-CE1 3.37Å; R47-Y59 PolarHBondContact O-OH 3.04Å
48	R	95	Very high	90.7	Very high	20 Å²	20	60.5 Å²	60.5	8%	0.075	35%	0.345	C	S	.	.	S	Bend	trans	-89.9	158.3	-179.5	-59.5	170.4	-54.1	177.6	6.4	110.1	Q40 I41 D46 P86 H88 D94 R96	Q40-R48 VanDerWaalsContact CA-CG 3.45Å; I41-R48 VanDerWaalsContact CG1-CZ 3.49Å; D46-R48 VanDerWaalsContact OD1-CB 3.29Å; D46-R48 WeakPolarHBondContact OD1-CB 3.37Å; D46-R48 VanDerWaalsContact OD1-CG 3.32Å; D46-R48 WeakPolarHBondContact OD1-CG 3.49Å; D46-R48 IonicContact OD1-CZ 3.52Å; D46-R48 PolarHBondContact OD1-N 3.26Å; D46-R48 VanDerWaalsContact OD1-N 3.09Å; D46-R48 IonicContact OD1-NE 2.75Å; D46-R48 PolarHBondContact OD1-NE 2.91Å; D46-R48 IonicContact OD1-NH2 3.48Å; D46-R48 PolarHBondContact OD1-NH2 3.36Å; D46-R48 IonicContact OD2-CZ 3.53Å; D46-R48 IonicContact OD2-NE 3.5Å; D46-R48 PolarHBondContact OD2-NE 3.28Å; D46-R48 IonicContact OD2-NH2 2.71Å; D46-R48 PolarHBondContact OD2-NH2 2.97Å; R48-P86 WeakPolarHBondContact O-CG 3.49Å; R48-H88 PolarHBondContact O-CE1 3.29Å; R48-H88 PolarHBondContact O-NE2 3.22Å; R48-H88 VanDerWaalsContact O-NE2 3.07Å; R48-D94 IonicContact CZ-OD1 3.45Å; R48-D94 IonicContact NH2-OD1 2.75Å; R48-D94 PolarHBondContact NH2-OD1 2.96Å; R48-R96 VanDerWaalsContact CZ-NE 3.31Å
49	R	93.6	Very high	90.6	Very high	14 Å²	14	59.4 Å²	59.4	5%	0.053	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-66.6	145	165.9	-66.1	-85.4	-69.6	-91.2	3.9	110	K51 V56 P57 T58 Y59 P69 E152	R49-K51 PolarHBondContact O-N 2.88Å; R49-V56 PolarHBondContact NE-O 2.87Å; R49-V56 PolarHBondContact NH1-O 3.09Å; R49-V56 PolarHBondContact NH2-O 3.48Å; R49-P57 WeakPolarHBondContact CB-O 3.19Å; R49-T58 PolarHBondContact NH1-O 2.86Å; R49-Y59 HydrophobicContact CG-CD1 3.77Å; R49-Y59 HydrophobicContact CG-CE1 4.49Å; R49-P69 VanDerWaalsContact NH1-CB 3.29Å; R49-E152 WeakPolarHBondContact CD-OE1 2.97Å; R49-E152 IonicContact NE-OE1 3.82Å
50	A	89.9	Confident	90.6	Very high	4 Å²	4	61.6 Å²	61.6	3%	0.033	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-55.9	131.9	161.8	0	0	0	0	0	108.7	T52 E152 H154	A50-T52 PolarHBondContact O-N 3.36Å; A50-E152 WeakPolarHBondContact CA-OE2 3.32Å; A50-E152 HydrophobicContact CB-CB 4.13Å; A50-E152 WeakPolarHBondContact CB-OE2 3.34Å; A50-E152 PolarHBondContact N-OE2 3.17Å; A50-H154 WeakPolarHBondContact CB-CE1 3.49Å
51	K	86.2	Confident	90.7	Very high	162 Å²	162	60.1 Å²	60.1	70%	0.704	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-74.5	124	178	-173.4	-179	178.9	-174.4	0	107.7	R49 S137	R49-K51 PolarHBondContact O-N 2.88Å; K51-S137 PolarHBondContact O-OG 3.08Å; K51-S137 VanDerWaalsContact O-OG 3.05Å
52	T	84.8	Confident	90.7	Very high	23 Å²	23	59.5 Å²	59.5	14%	0.141	35%	0.353	C	S	.	.			trans	-131.2	163.6	172.6	95.7	0	0	0	0	109.3	A50 C54 G55 S137 S210 C213	A50-T52 PolarHBondContact O-N 3.36Å; T52-C54 PolarHBondContact O-N 3.47Å; T52-G55 VanDerWaalsContact OG1-CA 3.23Å; T52-G55 WeakPolarHBondContact OG1-CA 3.24Å; T52-G55 PolarHBondContact OG1-N 2.99Å; T52-S137 WeakPolarHBondContact CG2-O 3.47Å; T52-S210 PolarHBondContact OG1-O 3.43Å; T52-C213 PolarHBondContact OG1-SG 3.48Å; T52-C213 VanDerWaalsContact OG1-SG 3.33Å
53	N	78.9	Confident	90.6	Very high	127 Å²	127	61.9 Å²	61.9	68%	0.679	39%	0.385	S	S	*	.	S	Bend	trans	-71.2	-13.2	-174	-70.4	-34.6	0	0	0	114.5	K215	N53-K215 WeakPolarHBondContact O-CE 3.46Å; N53-K215 WeakPolarHBondContact O-CG 3.3Å
54	C	82.3	Confident	90.6	Very high	49 Å²	49	60.6 Å²	60.6	33%	0.331	37%	0.372	S	S	.	.	S	Bend	trans	-150.2	-3.7	-172.1	33.9	0	0	0	0	113.7	T52 C213 K215	T52-C54 PolarHBondContact O-N 3.47Å; C54-C213 VanDerWaalsContact CA-SG 3.54Å; C54-C213 HydrophobicContact CB-CB 3.98Å; C54-C213 WeakPolarHBondContact CB-SG 3.37Å; C54-C213 VanDerWaalsContact SG-CA 3.6Å; C54-C213 WeakPolarHBondContact SG-CB 3.5Å; C54-C213 PolarHBondContact SG-O 3.46Å; C54-C213 CovalentContact SG-SG 2.03Å; C54-C213 PolarHBondContact SG-SG 3.28Å; C54-K215 HydrophobicContact CB-CG 4.3Å
55	G	81.4	Confident	90.9	Very high	23 Å²	23	55 Å²	55	24%	0.237	34%	0.341	C	S	.	.	S	Bend	trans	-74.1	157.1	175.2	0	0	0	0	0	111.2	T52 C213	T52-G55 VanDerWaalsContact OG1-CA 3.23Å; T52-G55 WeakPolarHBondContact OG1-CA 3.24Å; T52-G55 PolarHBondContact OG1-N 2.99Å; G55-C213 PolarHBondContact N-SG 3.41Å; G55-C213 VanDerWaalsContact N-SG 3.38Å
56	V	87	Confident	91.2	Very high	88 Å²	88	54 Å²	54	53%	0.533	34%	0.336	S	S	.	.			trans	-70.2	135.3	174.5	-86	0	0	0	0	110.7	R49 T58	R49-V56 PolarHBondContact NE-O 2.87Å; R49-V56 PolarHBondContact NH1-O 3.09Å; R49-V56 PolarHBondContact NH2-O 3.48Å; V56-T58 VanDerWaalsContact C-N 3.31Å; V56-T58 PolarHBondContact O-N 3.43Å
57	P	90	Very high	91.5	Very high	105 Å²	105	54.2 Å²	54.2	68%	0.682	34%	0.337	S	S	*	.	S	Bend	trans	-77.6	-16.5	-170	29.7	-36	0	0	0	113.8	R49	R49-P57 WeakPolarHBondContact CB-O 3.19Å
58	T	95.3	Very high	91.5	Very high	82 Å²	82	53.9 Å²	53.9	50%	0.503	34%	0.336	S	S	.	.	S	Bend	trans	-137.5	157	-179.2	55.5	0	0	0	0	110	N39 R49 V56	N39-T58 HydrophobicContact CB-CG2 4.2Å; N39-T58 VanDerWaalsContact OD1-CA 3.28Å; N39-T58 WeakPolarHBondContact OD1-CA 3.21Å; N39-T58 WeakPolarHBondContact OD1-CB 3.43Å; R49-T58 PolarHBondContact NH1-O 2.86Å; V56-T58 VanDerWaalsContact C-N 3.31Å; V56-T58 PolarHBondContact O-N 3.43Å
59	Y	96.5	Very high	91.5	Very high	8 Å²	8	54.6 Å²	54.6	3%	0.031	34%	0.343	C	S	.	.			trans	-108.7	152.4	172	53.8	-96	0	0	0	111	F38 N39 R47 R49 I61 P66 P86 W150	F38-Y59 HydrophobicContact CB-CE2 3.85Å; F38-Y59 WeakPolarHBondContact CB-OH 3.34Å; F38-Y59 HydrophobicContact CD1-CE2 4.14Å; F38-Y59 VanDerWaalsContact CD1-OH 3.28Å; F38-Y59 WeakPolarHBondContact CD1-OH 3.46Å; F38-Y59 HydrophobicContact CG-CE2 4.11Å; N39-Y59 PolarHBondContact N-OH 2.95Å; N39-Y59 VanDerWaalsContact N-OH 3.16Å; N39-Y59 PolarHBondContact ND2-O 3.44Å; N39-Y59 VanDerWaalsContact OD1-CD1 3.23Å; N39-Y59 WeakPolarHBondContact OD1-CD1 3.33Å; N39-Y59 VanDerWaalsContact OD1-CE1 3.3Å; N39-Y59 WeakPolarHBondContact OD1-CE1 3.46Å; N39-Y59 PolarHBondContact OD1-N 3.28Å; R47-Y59 VanDerWaalsContact O-CE1 3.24Å; R47-Y59 WeakPolarHBondContact O-CE1 3.37Å; R47-Y59 PolarHBondContact O-OH 3.04Å; R49-Y59 HydrophobicContact CG-CD1 3.77Å; R49-Y59 HydrophobicContact CG-CE1 4.49Å; Y59-I61 HydrophobicContact CD2-CD1 3.72Å; Y59-I61 HydrophobicContact CE2-CD1 3.49Å; Y59-I61 VanDerWaalsContact CE2-CD1 3.49Å; Y59-P66 HydrophobicContact CD2-CB 3.75Å; Y59-P66 HydrophobicContact CE2-CB 3.55Å; Y59-P86 HydrophobicContact CE1-CG 3.92Å; Y59-W150 AromaticContact CD1-CH2 3.89Å; Y59-W150 HydrophobicContact CD1-CH2 3.89Å; Y59-W150 AromaticContact CD1-CZ2 3.6Å; Y59-W150 HydrophobicContact CD1-CZ2 3.6Å; Y59-W150 AromaticContact CD2-CH2 3.83Å; Y59-W150 HydrophobicContact CD2-CH2 3.83Å; Y59-W150 HydrophobicContact CD2-CZ2 4.4Å; Y59-W150 HydrophobicContact CE1-CH2 4.43Å; Y59-W150 HydrophobicContact CE1-CZ2 4.2Å; Y59-W150 HydrophobicContact CE2-CH2 4.34Å; Y59-W150 AromaticContact CG-CH2 3.58Å; Y59-W150 HydrophobicContact CG-CH2 3.58Å; Y59-W150 AromaticContact CG-CZ2 3.74Å; Y59-W150 HydrophobicContact CG-CZ2 3.74Å
60	T	97.3	Very high	91.4	Very high	92 Å²	92	54.8 Å²	54.8	56%	0.564	34%	0.344	S	S	*	.			trans	-73.8	141.3	-178.8	-55.8	0	0	0	0	110.9	L67	T60-L67 HydrophobicContact CG2-CD1 4.26Å; T60-L67 PolarHBondContact O-N 3.44Å
61	I	97	Very high	91.6	Very high	67 Å²	67	54.7 Å²	54.7	34%	0.344	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.2	167.5	-50.3	-53.4	0	0	0	107.9	F38 Y59 L65 P66	F38-I61 HydrophobicContact CB-CD1 3.61Å; F38-I61 HydrophobicContact CB-CG1 4.17Å; F38-I61 HydrophobicContact CD2-CD1 3.41Å; F38-I61 VanDerWaalsContact CD2-CD1 3.41Å; F38-I61 HydrophobicContact CD2-CG1 3.97Å; F38-I61 HydrophobicContact CD2-CG2 4.34Å; F38-I61 HydrophobicContact CE2-CD1 4.23Å; F38-I61 HydrophobicContact CG-CD1 3.59Å; F38-I61 HydrophobicContact CG-CG1 4.39Å; Y59-I61 HydrophobicContact CD2-CD1 3.72Å; Y59-I61 HydrophobicContact CE2-CD1 3.49Å; Y59-I61 VanDerWaalsContact CE2-CD1 3.49Å; I61-L65 CarbonylContact C-O 3.57Å; I61-L65 WeakPolarHBondContact CA-O 3.36Å; I61-P66 HydrophobicContact CD1-CB 4.02Å
62	S	94	Very high	92	Very high	68 Å²	68	48.4 Å²	48.4	48%	0.476	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.7	176.9	-175	0	0	0	0	109.8	G64 L65	S62-G64 PolarHBondContact O-N 3.4Å; S62-L65 PolarHBondContact N-O 2.88Å; S62-L65 PolarHBondContact O-N 3Å
63	G	91.7	Very high	92.4	Very high	83 Å²	83	49.8 Å²	49.8	86%	0.856	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	30	-175.5	0	0	0	0	0	113.7	L65	G63-L65 PolarHBondContact O-N 2.92Å
64	G	93.4	Very high	93.2	Very high	38 Å²	38	45.1 Å²	45.1	39%	0.392	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-4.7	-175.1	0	0	0	0	0	115.1	F29 F38 S62	F29-G64 WeakPolarHBondContact CE1-O 3.44Å; F29-G64 WeakPolarHBondContact CZ-O 3.35Å; F38-G64 WeakPolarHBondContact CE2-O 3.28Å; S62-G64 PolarHBondContact O-N 3.4Å
65	L	95.7	Very high	93.9	Very high	52 Å²	52	48 Å²	48	27%	0.272	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	141.5	179.5	-61.1	176.8	0	0	0	111.3	F29 I61 S62 G63 W84	F29-L65 HydrophobicContact CD2-CD2 3.36Å; F29-L65 HydrophobicContact CE1-CD2 4.31Å; F29-L65 HydrophobicContact CE2-CD2 3.11Å; F29-L65 HydrophobicContact CG-CD2 4.05Å; F29-L65 HydrophobicContact CZ-CD2 3.6Å; I61-L65 CarbonylContact C-O 3.57Å; I61-L65 WeakPolarHBondContact CA-O 3.36Å; S62-L65 PolarHBondContact N-O 2.88Å; S62-L65 PolarHBondContact O-N 3Å; G63-L65 PolarHBondContact O-N 2.92Å; L65-W84 HydrophobicContact CD2-CE3 4.44Å; L65-W84 HydrophobicContact CD2-CH2 4.45Å; L65-W84 HydrophobicContact CD2-CZ3 4.16Å
66	P	97.9	Very high	94.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	144.1	169.3	30.9	-35.5	0	0	0	110.3	F38 Y59 I61 W84 N148 W150	F38-P66 HydrophobicContact CE1-CG 4.2Å; F38-P66 HydrophobicContact CZ-CG 4.25Å; Y59-P66 HydrophobicContact CD2-CB 3.75Å; Y59-P66 HydrophobicContact CE2-CB 3.55Å; I61-P66 HydrophobicContact CD1-CB 4.02Å; P66-W84 HydrophobicContact CG-CB 4.11Å; P66-N148 HydrophobicContact CG-CB 4.49Å; P66-N148 VanDerWaalsContact CG-O 3.27Å; P66-N148 WeakPolarHBondContact CG-O 3.48Å; P66-N148 VanDerWaalsContact O-CA 3.3Å; P66-N148 WeakPolarHBondContact O-CA 3.36Å; P66-N148 PolarHBondContact O-ND2 3.22Å; P66-W150 HydrophobicContact CB-CH2 4.12Å; P66-W150 HydrophobicContact CB-CZ3 4.15Å
67	L	97.1	Very high	95.1	Very high	26 Å²	26	48.9 Å²	48.9	14%	0.136	30%	0.299	C	S	.	.			trans	-105.4	131.4	172.3	-63.4	-173.4	0	0	0	110.2	W4 T60 D147 W150	W4-L67 HydrophobicContact CD2-CD1 4.11Å; W4-L67 HydrophobicContact CE3-CD1 4.39Å; W4-L67 HydrophobicContact CG-CD1 4.37Å; W4-L67 HydrophobicContact CH2-CD2 4.06Å; W4-L67 HydrophobicContact CZ2-CB 4.26Å; W4-L67 HydrophobicContact CZ2-CD2 3.98Å; W4-L67 HydrophobicContact CZ3-CD2 4.48Å; T60-L67 HydrophobicContact CG2-CD1 4.26Å; T60-L67 PolarHBondContact O-N 3.44Å; L67-D147 CarbonylContact C-O 3.5Å; L67-D147 WeakPolarHBondContact CA-O 3.3Å; L67-W150 WeakPolarHBondContact O-CH2 3.24Å
68	N	96.5	Very high	95.4	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	27%	0.273	C	S	.	.			trans	-58	121	177.5	-173.8	-22.8	0	0	0	110.1	W4 E70 G71 T146 D147 W150	W4-N68 PolarHBondContact NE1-O 3.44Å; N68-E70 PolarHBondContact O-N 2.68Å; N68-E70 VanDerWaalsContact OD1-CB 3.27Å; N68-E70 WeakPolarHBondContact OD1-CB 3.2Å; N68-E70 WeakPolarHBondContact OD1-CG 3.12Å; N68-E70 PolarHBondContact OD1-N 2.88Å; N68-G71 PolarHBondContact O-N 3.23Å; N68-T146 WeakPolarHBondContact CB-O 3.42Å; N68-T146 PolarHBondContact ND2-O 3.35Å; N68-D147 PolarHBondContact N-O 3.16Å; N68-W150 VanDerWaalsContact CA-CE3 3.49Å; N68-W150 VanDerWaalsContact CA-CZ3 3.46Å; N68-W150 HydrophobicContact CB-CD2 4.43Å; N68-W150 HydrophobicContact CB-CE3 3.8Å; N68-W150 HydrophobicContact CB-CZ3 4.22Å
69	P	94.6	Very high	95.4	Very high	35 Å²	35	41.9 Å²	41.9	23%	0.227	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16	-177.8	27.4	-36	0	0	0	113.2	R49 G71 W150	R49-P69 VanDerWaalsContact NH1-CB 3.29Å; P69-G71 VanDerWaalsContact C-N 3.28Å; P69-W150 HydrophobicContact CG-CZ2 4.1Å
70	E	92.2	Very high	95.3	Very high	17 Å²	17	43.3 Å²	43.3	8%	0.079	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	0.1	177	-52.7	-52.8	146.4	0	0	113.6	N68 S139 Q208 Y209 S210	N68-E70 PolarHBondContact O-N 2.68Å; N68-E70 VanDerWaalsContact OD1-CB 3.27Å; N68-E70 WeakPolarHBondContact OD1-CB 3.2Å; N68-E70 WeakPolarHBondContact OD1-CG 3.12Å; N68-E70 PolarHBondContact OD1-N 2.88Å; E70-S139 VanDerWaalsContact CD-OG 3.25Å; E70-S139 WeakPolarHBondContact OE1-CB 3.14Å; E70-S139 PolarHBondContact OE1-OG 2.94Å; E70-Q208 HydrophobicContact CB-CG 4.42Å; E70-Q208 PolarHBondContact O-NE2 3.2Å; E70-Q208 WeakPolarHBondContact OE2-CG 3.33Å; E70-Y209 HydrophobicContact CB-CD1 4.46Å; E70-Y209 HydrophobicContact CB-CE1 4.13Å; E70-Y209 HydrophobicContact CG-CD1 3.71Å; E70-Y209 HydrophobicContact CG-CE1 3.77Å; E70-Y209 VanDerWaalsContact OE2-CA 3.25Å; E70-Y209 WeakPolarHBondContact OE2-CA 3.21Å; E70-Y209 PolarHBondContact OE2-N 3.09Å; E70-S210 PolarHBondContact OE1-N 3.14Å
71	G	93	Very high	95.2	Very high	3 Å²	3	39.1 Å²	39.1	3%	0.031	23%	0.232	C	C	.	.			trans	94	-169.9	179.7	0	0	0	0	0	114.4	R2 N68 P69	R2-G71 CarbonylContact O-C 3.48Å; R2-G71 WeakPolarHBondContact O-CA 3.49Å; N68-G71 PolarHBondContact O-N 3.23Å; P69-G71 VanDerWaalsContact C-N 3.28Å
72	R	94.9	Very high	95.1	Very high	30 Å²	30	36.8 Å²	36.8	11%	0.113	22%	0.222	C	C	.	.			trans	-60.7	135.8	177	-62.9	174.8	-174.6	98.4	0.2	111.6	M1 R2 A3 W4 V6 Y11	M1-R72 PolarHBondContact O-NH1 2.72Å; R2-R72 PolarHBondContact O-N 3.47Å; A3-R72 PolarHBondContact O-NH1 2.95Å; W4-R72 HydrophobicContact CD2-CG 4.19Å; W4-R72 HydrophobicContact CE3-CG 3.71Å; W4-R72 HydrophobicContact CH2-CB 4.47Å; W4-R72 HydrophobicContact CH2-CG 3.62Å; W4-R72 HydrophobicContact CZ2-CG 4.1Å; W4-R72 HydrophobicContact CZ3-CG 3.41Å; W4-R72 VanDerWaalsContact CZ3-CG 3.41Å; W4-R72 PolarHBondContact O-NH2 3.49Å; V6-R72 PolarHBondContact O-NH1 3.12Å; V6-R72 PolarHBondContact O-NH2 2.99Å; V6-R72 VanDerWaalsContact O-NH2 3.1Å; Y11-R72 HydrophobicContact CD1-CG 4.04Å; Y11-R72 HydrophobicContact CE1-CB 4.15Å; Y11-R72 HydrophobicContact CE1-CG 3.66Å; Y11-R72 HydrophobicContact CE2-CB 4.08Å; Y11-R72 HydrophobicContact CE2-CG 4.22Å; Y11-R72 HydrophobicContact CG-CG 4.46Å
73	T	94.4	Very high	95.2	Very high	52 Å²	52	35.6 Å²	35.6	32%	0.319	21%	0.207	S	C	.	.			trans	-110	-16.9	179.2	65.8	0	0	0	0	112.9	Y75 T146 D147	T73-Y75 VanDerWaalsContact C-N 3.32Å; T73-Y75 PolarHBondContact OG1-N 2.69Å; T73-Y75 PolarHBondContact OG1-O 2.72Å; T73-T146 VanDerWaalsContact CG2-C 3.47Å; T73-T146 WeakPolarHBondContact CG2-O 3.03Å; T73-T146 VanDerWaalsContact OG1-C 3.26Å; T73-T146 VanDerWaalsContact OG1-CA 3.31Å; T73-T146 WeakPolarHBondContact OG1-CA 3.21Å; T73-D147 WeakPolarHBondContact CB-OD1 3.31Å; T73-D147 PolarHBondContact N-OD1 2.9Å; T73-D147 PolarHBondContact OG1-N 3.25Å; T73-D147 VanDerWaalsContact OG1-N 3.16Å; T73-D147 PolarHBondContact OG1-OD1 3.29Å
74	G	95.3	Very high	95.5	Very high	28 Å²	28	32.9 Å²	32.9	29%	0.289	17%	0.171	S	C	.	.	S	Bend	trans	89.8	-7.9	-170.4	0	0	0	0	0	113.9	Y11 A13 T14	Y11-G74 VanDerWaalsContact OH-CA 3.31Å; Y11-G74 WeakPolarHBondContact OH-CA 3.1Å; Y11-G74 PolarHBondContact OH-N 3.02Å; A13-G74 WeakPolarHBondContact CA-O 3.15Å; T14-G74 PolarHBondContact N-O 3.06Å
75	Y	97.2	Very high	95.7	Very high	110 Å²	110	31.1 Å²	31.1	43%	0.431	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.7	179.2	-64.3	-79.5	0	0	0	111.2	T14 W16 T73 T146 D147	T14-Y75 HydrophobicContact CG2-CD1 4.18Å; T14-Y75 HydrophobicContact CG2-CE1 4.17Å; T14-Y75 CarbonylContact O-C 3.5Å; T14-Y75 VanDerWaalsContact O-CA 3.27Å; T14-Y75 WeakPolarHBondContact O-CA 3.28Å; W16-Y75 HydrophobicContact CB-CD1 4.28Å; W16-Y75 HydrophobicContact CE3-CD1 4.26Å; W16-Y75 HydrophobicContact CE3-CG 4.14Å; T73-Y75 VanDerWaalsContact C-N 3.32Å; T73-Y75 PolarHBondContact OG1-N 2.69Å; T73-Y75 PolarHBondContact OG1-O 2.72Å; Y75-T146 CarbonylContact O-C 3.58Å; Y75-T146 WeakPolarHBondContact O-CA 3.08Å; Y75-T146 WeakPolarHBondContact O-CB 3.33Å; Y75-D147 WeakPolarHBondContact O-CB 3.23Å; Y75-D147 VanDerWaalsContact O-CG 3.22Å; Y75-D147 PolarHBondContact O-N 3.19Å
76	R	96.4	Very high	95.8	Very high	124 Å²	124	28.8 Å²	28.8	47%	0.468	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	165	173	64.9	177.3	-177.4	142.2	1.7	111.7	A13 T14 L15 W16	A13-R76 HydrophobicContact CB-CB 3.74Å; A13-R76 HydrophobicContact CB-CG 3.9Å; A13-R76 PolarHBondContact O-NE 3.35Å; T14-R76 PolarHBondContact O-N 3.5Å; L15-R76 HydrophobicContact CB-CG 4.3Å; L15-R76 HydrophobicContact CD1-CG 4.16Å; W16-R76 PolarHBondContact N-O 3.29Å
77	G	96.2	Very high	95.6	Very high	6 Å²	6	29.1 Å²	29.1	6%	0.062	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.9	-173.6	-171.9	0	0	0	0	0	111.9	W84 T146 N148	G77-W84 VanDerWaalsContact C-CZ3 3.47Å; G77-T146 WeakPolarHBondContact O-CB 3.09Å; G77-T146 PolarHBondContact O-OG1 2.63Å; G77-N148 PolarHBondContact N-OD1 3.01Å
78	R	95.8	Very high	95.2	Very high	38 Å²	38	30 Å²	30	14%	0.143	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-21.2	176.5	-70.5	-167.6	-72	105.1	-2.8	114.1	D26 I80 L81 P82 W84 A149	D26-R78 PolarHBondContact O-NE 3.47Å; D26-R78 PolarHBondContact O-NH2 3.43Å; R78-I80 PolarHBondContact O-N 2.91Å; R78-L81 PolarHBondContact NH1-O 2.79Å; R78-L81 PolarHBondContact O-N 2.98Å; R78-P82 PolarHBondContact NH1-O 3.26Å; R78-W84 VanDerWaalsContact CD-CE2 3.48Å; R78-W84 HydrophobicContact CG-CD2 3.17Å; R78-W84 HydrophobicContact CG-CE3 3.36Å; R78-W84 HydrophobicContact CG-CG 3.74Å; R78-W84 HydrophobicContact CG-CH2 3.85Å; R78-W84 HydrophobicContact CG-CZ2 3.67Å; R78-W84 HydrophobicContact CG-CZ3 3.71Å; R78-A149 HydrophobicContact CB-CB 4.39Å; R78-A149 HydrophobicContact CG-CB 4.45Å
79	G	95.7	Very high	94.5	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.9	-125.8	-166.7	0	0	0	0	0	111.1	W16 T18	W16-G79 WeakPolarHBondContact O-CA 3.04Å; W16-G79 PolarHBondContact O-N 3.43Å; T18-G79 PolarHBondContact OG1-O 2.98Å
80	I	95.5	Very high	93.5	Very high	38 Å²	38	32.6 Å²	32.6	20%	0.195	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-16.5	-178.3	-66.3	171.5	0	0	0	112.3	W16 T18 W22 R78 W144	W16-I80 HydrophobicContact CH2-CD1 4.4Å; W16-I80 HydrophobicContact CZ2-CD1 3.76Å; W16-I80 HydrophobicContact CZ2-CG1 4.04Å; T18-I80 HydrophobicContact CG2-CG1 4.02Å; W22-I80 PolarHBondContact NE1-O 3.45Å; R78-I80 PolarHBondContact O-N 2.91Å; I80-W144 HydrophobicContact CB-CD2 4.19Å; I80-W144 HydrophobicContact CB-CG 4.29Å; I80-W144 HydrophobicContact CD1-CG 4.45Å; I80-W144 HydrophobicContact CG2-CD2 4Å; I80-W144 HydrophobicContact CG2-CE3 4.04Å; I80-W144 HydrophobicContact CG2-CH2 4.43Å; I80-W144 HydrophobicContact CG2-CZ2 4.39Å; I80-W144 HydrophobicContact CG2-CZ3 4.27Å
81	L	95.3	Very high	92.1	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	17%	0.174	C	C	.	.			trans	-71	140.7	-173.2	-66.7	173.7	0	0	0	111.8	R78 R83 N87 W144 A149 V151	R78-L81 PolarHBondContact NH1-O 2.79Å; R78-L81 PolarHBondContact O-N 2.98Å; L81-R83 PolarHBondContact O-N 3.14Å; L81-N87 HydrophobicContact CD2-CB 4.19Å; L81-W144 WeakPolarHBondContact CD1-O 2.99Å; L81-W144 HydrophobicContact CD2-CB 4.26Å; L81-W144 HydrophobicContact CD2-CE3 4.05Å; L81-W144 HydrophobicContact CG-CB 4.16Å; L81-A149 HydrophobicContact CB-CB 4.08Å; L81-A149 HydrophobicContact CD1-CB 3.82Å; L81-V151 HydrophobicContact CD1-CG2 4.42Å; L81-V151 HydrophobicContact CD2-CG2 3.84Å
82	P	94.9	Very high	90.8	Very high	19 Å²	19	35.2 Å²	35.2	12%	0.123	18%	0.179	C	C	.	.	S	Bend	trans	-69.6	-31	-175.3	24.7	-31.3	0	0	0	112.9	W22 E24 C25 D26 R78 N87	W22-P82 HydrophobicContact CB-CB 4.08Å; W22-P82 HydrophobicContact CD2-CB 4.39Å; W22-P82 HydrophobicContact CD2-CG 4.08Å; W22-P82 HydrophobicContact CG-CB 3.82Å; W22-P82 HydrophobicContact CG-CG 4.04Å; E24-P82 WeakPolarHBondContact O-CB 3.45Å; C25-P82 CarbonylContact C-O 3.59Å; C25-P82 WeakPolarHBondContact CA-O 3.41Å; C25-P82 HydrophobicContact CB-CB 4.43Å; D26-P82 PolarHBondContact N-O 3.02Å; R78-P82 PolarHBondContact NH1-O 3.26Å; P82-N87 WeakPolarHBondContact CD-OD1 3.33Å; P82-N87 WeakPolarHBondContact CG-OD1 3.47Å
83	R	96.4	Very high	89.5	Confident	43 Å²	43	38 Å²	38	16%	0.162	20%	0.196	C	C	.	.	S	Bend	trans	-115.2	147.8	-173.7	-50.1	-57.2	178.3	175.6	1.3	112.6	E24 D26 V45 L81 N87 A149	E24-R83 IonicContact OE1-CZ 3.47Å; E24-R83 IonicContact OE1-NH1 3.14Å; E24-R83 PolarHBondContact OE1-NH1 3.31Å; E24-R83 IonicContact OE1-NH2 2.69Å; E24-R83 PolarHBondContact OE1-NH2 3.42Å; E24-R83 IonicContact OE2-NH2 3.23Å; E24-R83 PolarHBondContact OE2-NH2 2.99Å; D26-R83 WeakPolarHBondContact OD1-CD 3.35Å; D26-R83 IonicContact OD1-NH1 3.36Å; D26-R83 PolarHBondContact OD1-NH1 2.81Å; D26-R83 WeakPolarHBondContact OD2-CA 3.03Å; V45-R83 HydrophobicContact CG1-CG 4.17Å; L81-R83 PolarHBondContact O-N 3.14Å; R83-N87 WeakPolarHBondContact CB-OD1 3.39Å; R83-N87 PolarHBondContact N-OD1 2.03Å; R83-N87 PolarHBondContact O-ND2 3.49Å; R83-A149 WeakPolarHBondContact O-CB 3.28Å
84	W	97.4	Very high	88.5	Confident	26 Å²	26	37.4 Å²	37.4	10%	0.098	19%	0.191	C	C	.	.	S	Bend	trans	-73	134.9	164.2	-65.7	101.2	0	0	0	109.8	D26 Q27 F29 F34 F38 L65 P66 G77 R78 N148	D26-W84 PolarHBondContact OD2-N 3.23Å; Q27-W84 PolarHBondContact O-NE1 3.43Å; F29-W84 HydrophobicContact CD2-CD2 4.18Å; F29-W84 AromaticContact CD2-CE2 3.65Å; F29-W84 HydrophobicContact CD2-CH2 4.26Å; F29-W84 AromaticContact CD2-CZ2 3.73Å; F29-W84 HydrophobicContact CD2-CZ2 3.73Å; F29-W84 AromaticContact CD2-NE1 3.89Å; F29-W84 AromaticContact CE2-CD1 3.86Å; F29-W84 AromaticContact CE2-CD2 3.47Å; F29-W84 HydrophobicContact CE2-CD2 3.47Å; F29-W84 VanDerWaalsContact CE2-CD2 3.47Å; F29-W84 AromaticContact CE2-CE2 3.43Å; F29-W84 VanDerWaalsContact CE2-CE2 3.43Å; F29-W84 AromaticContact CE2-CE3 3.95Å; F29-W84 HydrophobicContact CE2-CE3 3.95Å; F29-W84 AromaticContact CE2-CG 3.76Å; F29-W84 HydrophobicContact CE2-CG 3.76Å; F29-W84 HydrophobicContact CE2-CH2 4.32Å; F29-W84 AromaticContact CE2-CZ2 3.9Å; F29-W84 HydrophobicContact CE2-CZ2 3.9Å; F29-W84 HydrophobicContact CE2-CZ3 4.34Å; F29-W84 AromaticContact CE2-NE1 3.66Å; F29-W84 HydrophobicContact CZ-CD2 4.45Å; F29-W84 HydrophobicContact CZ-CG 4.39Å; F34-W84 AromaticContact CE1-CD1 3.45Å; F34-W84 VanDerWaalsContact CE1-CD1 3.45Å; F34-W84 HydrophobicContact CE1-CG 4.5Å; F34-W84 AromaticContact CE1-NE1 3.67Å; F34-W84 AromaticContact CZ-CD1 3.56Å; F38-W84 HydrophobicContact CE1-CB 4.08Å; F38-W84 HydrophobicContact CZ-CB 4.29Å; L65-W84 HydrophobicContact CD2-CE3 4.44Å; L65-W84 HydrophobicContact CD2-CH2 4.45Å; L65-W84 HydrophobicContact CD2-CZ3 4.16Å; P66-W84 HydrophobicContact CG-CB 4.11Å; G77-W84 VanDerWaalsContact C-CZ3 3.47Å; R78-W84 VanDerWaalsContact CD-CE2 3.48Å; R78-W84 HydrophobicContact CG-CD2 3.17Å; R78-W84 HydrophobicContact CG-CE3 3.36Å; R78-W84 HydrophobicContact CG-CG 3.74Å; R78-W84 HydrophobicContact CG-CH2 3.85Å; R78-W84 HydrophobicContact CG-CZ2 3.67Å; R78-W84 HydrophobicContact CG-CZ3 3.71Å; W84-N148 HydrophobicContact CE3-CB 3.69Å; W84-N148 HydrophobicContact CZ3-CB 3.61Å
85	G	97.7	Very high	87.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84	-139.6	-175.3	0	0	0	0	0	112.5	N87 N148 A149 W150	G85-N87 PolarHBondContact O-ND2 3.38Å; G85-N87 VanDerWaalsContact O-ND2 3.08Å; G85-N148 PolarHBondContact N-O 3.13Å; G85-A149 CarbonylContact O-C 3.55Å; G85-A149 VanDerWaalsContact O-CA 3.28Å; G85-A149 WeakPolarHBondContact O-CA 3.29Å; G85-W150 PolarHBondContact O-N 3.31Å
86	P	96.6	Very high	85.8	Confident	3 Å²	3	39 Å²	39	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	140.3	-176.9	29.8	-34.1	0	0	0	111.8	R48 Y59 W150 E152	R48-P86 WeakPolarHBondContact O-CG 3.49Å; Y59-P86 HydrophobicContact CE1-CG 3.92Å; P86-W150 CarbonylContact C-O 3.57Å; P86-W150 HydrophobicContact CB-CZ2 4.38Å; P86-E152 HydrophobicContact CB-CG 4.07Å
87	N	94.2	Very high	84.3	Confident	7 Å²	7	38.1 Å²	38.1	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	104	172.4	-70.4	-102.2	0	0	0	107.4	L81 P82 R83 G85 L89 W150 V151 E152	L81-N87 HydrophobicContact CD2-CB 4.19Å; P82-N87 WeakPolarHBondContact CD-OD1 3.33Å; P82-N87 WeakPolarHBondContact CG-OD1 3.47Å; R83-N87 WeakPolarHBondContact CB-OD1 3.39Å; R83-N87 PolarHBondContact N-OD1 2.03Å; R83-N87 PolarHBondContact O-ND2 3.49Å; G85-N87 PolarHBondContact O-ND2 3.38Å; G85-N87 VanDerWaalsContact O-ND2 3.08Å; N87-L89 PolarHBondContact O-N 3.21Å; N87-W150 WeakPolarHBondContact CB-O 3.42Å; N87-W150 PolarHBondContact N-O 3.32Å; N87-W150 PolarHBondContact ND2-O 2.8Å; N87-V151 WeakPolarHBondContact O-CA 3.3Å; N87-E152 PolarHBondContact O-N 2.64Å
88	H	88.8	Confident	82.8	Confident	45 Å²	45	38.7 Å²	38.7	21%	0.208	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	118.5	-174.3	-60.4	-54.3	0	0	0	111.2	D46 R48 V92 E152 H154	D46-H88 PolarHBondContact O-NE2 3.47Å; R48-H88 PolarHBondContact O-CE1 3.29Å; R48-H88 PolarHBondContact O-NE2 3.22Å; R48-H88 VanDerWaalsContact O-NE2 3.07Å; H88-V92 HydrophobicContact CB-CG2 4.13Å; H88-E152 CarbonylContact C-O 3.57Å; H88-E152 WeakPolarHBondContact CA-O 3.24Å; H88-E152 IonicContact CE1-OE2 3.35Å; H88-E152 PolarHBondContact CE1-OE2 3.04Å; H88-E152 IonicContact ND1-OE2 3.72Å; H88-H154 AromaticContact CE1-NE2 3.78Å; H88-H154 AromaticContact CG-NE2 3.71Å; H88-H154 AromaticContact ND1-CD2 3.8Å; H88-H154 AromaticContact ND1-NE2 3.07Å; H88-H154 PolarHBondContact ND1-NE2 2.9Å
89	L	82	Confident	81.5	Confident	49 Å²	49	38 Å²	38	26%	0.257	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	150.3	175	-59.3	-174.3	0	0	0	110.3	N87 V151 E152 Y153 H154	N87-L89 PolarHBondContact O-N 3.21Å; L89-V151 HydrophobicContact CB-CG1 4.37Å; L89-V151 HydrophobicContact CD1-CB 4.46Å; L89-V151 HydrophobicContact CD1-CG1 3.55Å; L89-V151 HydrophobicContact CD1-CG2 4.03Å; L89-V151 HydrophobicContact CG-CG1 3.92Å; L89-E152 PolarHBondContact N-O 3.19Å; L89-Y153 HydrophobicContact CB-CD1 3.73Å; L89-Y153 HydrophobicContact CB-CE1 3.85Å; L89-Y153 HydrophobicContact CD1-CE1 4.07Å; L89-Y153 CarbonylContact O-C 3.36Å; L89-Y153 WeakPolarHBondContact O-CA 3.25Å; L89-H154 PolarHBondContact O-N 2.04Å
90	G	73	Confident	80.6	Confident	42 Å²	42	38.3 Å²	38.3	43%	0.433	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	113.3	-149.3	177.9	0	0	0	0	0	112.8	V92	G90-V92 VanDerWaalsContact C-N 3.33Å; G90-V92 PolarHBondContact O-N 2.91Å
91	F	64.4	Low	79.9	Confident	54 Å²	54	44.4 Å²	44.4	24%	0.237	22%	0.224	C	C	.	.	S	Bend	trans	-89.7	59.7	-175.2	-71.2	-89.5	0	0	0	111.6	P100 I103 H154 Y155	F91-P100 HydrophobicContact CB-CG 4.23Å; F91-P100 VanDerWaalsContact O-CD 3.29Å; F91-P100 WeakPolarHBondContact O-CD 3.38Å; F91-I103 HydrophobicContact CD1-CD1 4.48Å; F91-I103 HydrophobicContact CD1-CG1 4.24Å; F91-I103 HydrophobicContact CE1-CD1 4.35Å; F91-H154 PolarHBondContact N-O 3.45Å; F91-Y155 HydrophobicContact CD2-CD1 4.04Å; F91-Y155 HydrophobicContact CD2-CE1 4.47Å; F91-Y155 HydrophobicContact CE2-CD1 4.24Å
92	V	64.9	Low	78.9	Confident	20 Å²	20	47.4 Å²	47.4	12%	0.121	25%	0.246	C	C	.	.			trans	-144.2	138.4	176.5	-67.5	0	0	0	0	113.5	H88 G90 H154 Y156	H88-V92 HydrophobicContact CB-CG2 4.13Å; G90-V92 VanDerWaalsContact C-N 3.33Å; G90-V92 PolarHBondContact O-N 2.91Å; V92-H154 HydrophobicContact CB-CB 4.23Å; V92-H154 HydrophobicContact CG1-CB 3.38Å; V92-H154 HydrophobicContact CG2-CB 3.75Å; V92-Y156 HydrophobicContact CG1-CE2 3.83Å
93	D	68.4	Low	78.2	Confident	90 Å²	90	46.7 Å²	46.7	48%	0.481	24%	0.241	S	C	.	.	S	Bend	trans	-98.6	-35.9	158.3	-67.7	-14.8	0	0	0	110.4	K101	D93-K101 WeakPolarHBondContact OD2-CB 3.41Å; D93-K101 VanDerWaalsContact OD2-CG 3.24Å; D93-K101 WeakPolarHBondContact OD2-CG 3.44Å; D93-K101 PolarHBondContact OD2-N 2.85Å
94	D	72.1	Confident	77.6	Confident	38 Å²	38	48.1 Å²	48.1	20%	0.203	25%	0.248	C	C	.	.	S	Bend	trans	-126.4	118.2	170.5	172.3	-7.7	0	0	0	106.4	R48 R96 N97	R48-D94 IonicContact CZ-OD1 3.45Å; R48-D94 IonicContact NH2-OD1 2.75Å; R48-D94 PolarHBondContact NH2-OD1 2.96Å; D94-R96 PolarHBondContact O-N 3.19Å; D94-R96 WeakPolarHBondContact OD1-CB 3.39Å; D94-R96 PolarHBondContact OD1-N 3.08Å; D94-N97 HydrophobicContact CB-CB 4.1Å; D94-N97 PolarHBondContact O-N 3.2Å; D94-N97 PolarHBondContact OD2-ND2 3.18Å
95	A	65.4	Low	77	Confident	9 Å²	9	49.8 Å²	49.8	7%	0.074	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-13.6	-177.4	0	0	0	0	0	113.9	D46 H154	D46-A95 PolarHBondContact OD2-N 3.45Å; A95-H154 WeakPolarHBondContact CB-CE1 3.46Å
96	R	70.4	Confident	76.5	Confident	162 Å²	162	54 Å²	54	61%	0.611	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-12.4	177.4	-61.6	-170.7	-174.4	176.9	-4.5	114.1	R48 D94	R48-R96 VanDerWaalsContact CZ-NE 3.31Å; D94-R96 PolarHBondContact O-N 3.19Å; D94-R96 WeakPolarHBondContact OD1-CB 3.39Å; D94-R96 PolarHBondContact OD1-N 3.08Å
97	N	64.7	Low	76.1	Confident	107 Å²	107	54.3 Å²	54.3	57%	0.572	29%	0.286	S	S	*	.	S	Bend	trans	-127	85	-166.7	-76.3	-36	0	0	0	112.4	D94 Y99	D94-N97 HydrophobicContact CB-CB 4.1Å; D94-N97 PolarHBondContact O-N 3.2Å; D94-N97 PolarHBondContact OD2-ND2 3.18Å; N97-Y99 PolarHBondContact O-N 3.27Å
98	G	65	Low	76	Confident	18 Å²	18	55.7 Å²	55.7	19%	0.186	29%	0.294	C	S	.	.	S	Bend	trans	45.1	-129.2	157.7	0	0	0	0	0	115.9
99	Y	69	Low	76.1	Confident	24 Å²	24	59.2 Å²	59.2	9%	0.094	31%	0.309	C	S	.	.	S	Bend	trans	-74.4	147	-177.9	-61.5	-63.2	0	0	0	112.7	N97 K101 I103 F107 S128 E129 L132 L158	N97-Y99 PolarHBondContact O-N 3.27Å; Y99-K101 PolarHBondContact O-N 2.87Å; Y99-I103 HydrophobicContact CD1-CG2 3.83Å; Y99-I103 HydrophobicContact CG-CG2 4.19Å; Y99-F107 HydrophobicContact CD1-CE2 4.3Å; Y99-F107 AromaticContact CE1-CE2 3.78Å; Y99-F107 HydrophobicContact CE1-CE2 3.78Å; Y99-F107 HydrophobicContact CE1-CZ 4.38Å; Y99-F107 HydrophobicContact CE2-CD2 4.32Å; Y99-F107 HydrophobicContact CE2-CE2 4.1Å; Y99-F107 AromaticContact CZ-CE2 3.69Å; Y99-S128 WeakPolarHBondContact CE2-OG 3.3Å; Y99-S128 WeakPolarHBondContact OH-CB 3.46Å; Y99-E129 HydrophobicContact CD2-CG 3.42Å; Y99-E129 VanDerWaalsContact CD2-CG 3.42Å; Y99-E129 HydrophobicContact CE2-CG 3.58Å; Y99-E129 HydrophobicContact CG-CG 4.49Å; Y99-L132 HydrophobicContact CD1-CD1 4.17Å; Y99-L132 HydrophobicContact CE1-CD1 3.86Å; Y99-L132 HydrophobicContact CE1-CD2 3.75Å; Y99-L132 HydrophobicContact CE1-CG 4.2Å; Y99-L132 HydrophobicContact CE2-CD1 4.32Å; Y99-L158 VanDerWaalsContact OH-CD1 3.24Å; Y99-L158 WeakPolarHBondContact OH-CD1 3.43Å; Y99-L158 WeakPolarHBondContact OH-CD2 3.35Å
100	P	75.5	Confident	76.4	Confident	8 Å²	8	58.1 Å²	58.1	5%	0.052	30%	0.303	C	S	.	.			trans	-52.4	142.5	157.6	-22	33.4	0	0	0	110.1	F91 S102 I103 K104	F91-P100 HydrophobicContact CB-CG 4.23Å; F91-P100 VanDerWaalsContact O-CD 3.29Å; F91-P100 WeakPolarHBondContact O-CD 3.38Å; P100-S102 PolarHBondContact O-N 2.94Å; P100-S102 VanDerWaalsContact O-N 3.12Å; P100-I103 HydrophobicContact CB-CB 4.47Å; P100-I103 HydrophobicContact CB-CG1 4.1Å; P100-I103 HydrophobicContact CG-CG1 3.97Å; P100-I103 PolarHBondContact O-N 3.33Å; P100-K104 PolarHBondContact O-N 3.41Å
101	K	80.7	Confident	77.4	Confident	165 Å²	165	56.1 Å²	56.1	72%	0.717	28%	0.282	S	S	*	.	H	α-helix	trans	-52.3	-37.7	176.2	-68	169.4	-179.1	172.1	0	110.9	D93 Y99 I103 K104 A105	D93-K101 WeakPolarHBondContact OD2-CB 3.41Å; D93-K101 VanDerWaalsContact OD2-CG 3.24Å; D93-K101 WeakPolarHBondContact OD2-CG 3.44Å; D93-K101 PolarHBondContact OD2-N 2.85Å; Y99-K101 PolarHBondContact O-N 2.87Å; K101-I103 PolarHBondContact O-N 3.03Å; K101-K104 PolarHBondContact O-N 3.48Å; K101-A105 VanDerWaalsContact O-CB 3.3Å; K101-A105 WeakPolarHBondContact O-CB 3.29Å; K101-A105 PolarHBondContact O-N 2.93Å
102	S	76.1	Confident	78.8	Confident	67 Å²	67	60.3 Å²	60.3	47%	0.469	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-39.6	177.7	64.3	0	0	0	0	113.2	P100 K106	P100-S102 PolarHBondContact O-N 2.94Å; P100-S102 VanDerWaalsContact O-N 3.12Å; S102-K106 WeakPolarHBondContact O-CG 3.47Å; S102-K106 PolarHBondContact O-N 3.33Å; S102-K106 VanDerWaalsContact O-N 3.11Å
103	I	79.9	Confident	80.1	Confident	4 Å²	4	67 Å²	67	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-71.4	-45.3	175.9	-62.9	-61.2	0	0	0	110.3	F91 Y99 P100 K101 A105 K106 F107 L182 L184	F91-I103 HydrophobicContact CD1-CD1 4.48Å; F91-I103 HydrophobicContact CD1-CG1 4.24Å; F91-I103 HydrophobicContact CE1-CD1 4.35Å; Y99-I103 HydrophobicContact CD1-CG2 3.83Å; Y99-I103 HydrophobicContact CG-CG2 4.19Å; P100-I103 HydrophobicContact CB-CB 4.47Å; P100-I103 HydrophobicContact CB-CG1 4.1Å; P100-I103 HydrophobicContact CG-CG1 3.97Å; P100-I103 PolarHBondContact O-N 3.33Å; K101-I103 PolarHBondContact O-N 3.03Å; I103-A105 VanDerWaalsContact C-N 3.29Å; I103-A105 PolarHBondContact O-N 3.38Å; I103-K106 WeakPolarHBondContact O-CB 3.31Å; I103-K106 PolarHBondContact O-N 3.46Å; I103-K106 VanDerWaalsContact O-N 3.09Å; I103-F107 HydrophobicContact CG2-CD1 4.17Å; I103-F107 HydrophobicContact CG2-CD2 4.41Å; I103-F107 HydrophobicContact CG2-CE1 3.76Å; I103-F107 HydrophobicContact CG2-CE2 4.03Å; I103-F107 HydrophobicContact CG2-CG 4.49Å; I103-F107 HydrophobicContact CG2-CZ 3.68Å; I103-F107 WeakPolarHBondContact O-CD1 3.07Å; I103-F107 PolarHBondContact O-N 2.81Å; I103-L182 HydrophobicContact CD1-CD2 4.09Å; I103-L184 HydrophobicContact CD1-CD1 3.5Å; I103-L184 VanDerWaalsContact CD1-CD1 3.5Å
104	K	83.1	Confident	81.2	Confident	73 Å²	73	64.6 Å²	64.6	32%	0.317	31%	0.312	S	S	.	.	H	α-helix	trans	-59.2	-41.4	177.3	-167.9	172.9	-170.8	155.6	0	111.8	P100 K101 F107 D108 L125 E129	P100-K104 PolarHBondContact O-N 3.41Å; K101-K104 PolarHBondContact O-N 3.48Å; K104-F107 PolarHBondContact O-N 2.74Å; K104-D108 PolarHBondContact O-N 3Å; K104-L125 HydrophobicContact CG-CD1 4.21Å; K104-E129 WeakPolarHBondContact CD-OE1 3.46Å; K104-E129 VanDerWaalsContact CE-OE1 3.22Å; K104-E129 WeakPolarHBondContact CE-OE1 3.17Å; K104-E129 VanDerWaalsContact NZ-CD 3.31Å; K104-E129 IonicContact NZ-OE1 2.97Å; K104-E129 PolarHBondContact NZ-OE1 2.71Å; K104-E129 IonicContact NZ-OE2 3.73Å; K104-E129 PolarHBondContact NZ-OE2 2.88Å; K104-E129 VanDerWaalsContact NZ-OE2 3.14Å
105	A	85.8	Confident	82.3	Confident	60 Å²	60	69.9 Å²	69.9	50%	0.496	34%	0.34	S	S	.	.	H	α-helix	trans	-64.3	-40.2	175	0	0	0	0	0	112.3	K101 I103 D108 K109	K101-A105 VanDerWaalsContact O-CB 3.3Å; K101-A105 WeakPolarHBondContact O-CB 3.29Å; K101-A105 PolarHBondContact O-N 2.93Å; I103-A105 VanDerWaalsContact C-N 3.29Å; I103-A105 PolarHBondContact O-N 3.38Å; A105-D108 PolarHBondContact O-N 3.47Å; A105-K109 WeakPolarHBondContact O-CB 3.13Å; A105-K109 PolarHBondContact O-N 3.25Å
106	K	86.3	Confident	83.8	Confident	89 Å²	89	70.6 Å²	70.6	39%	0.387	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-47.8	172.2	-75.5	175.6	-175.5	-179.8	0	110.7	S102 I103 D108 K109 I110 L184	S102-K106 WeakPolarHBondContact O-CG 3.47Å; S102-K106 PolarHBondContact O-N 3.33Å; S102-K106 VanDerWaalsContact O-N 3.11Å; I103-K106 WeakPolarHBondContact O-CB 3.31Å; I103-K106 PolarHBondContact O-N 3.46Å; I103-K106 VanDerWaalsContact O-N 3.09Å; K106-D108 PolarHBondContact O-N 3.15Å; K106-K109 WeakPolarHBondContact O-CB 3.37Å; K106-K109 PolarHBondContact O-N 3.27Å; K106-I110 VanDerWaalsContact O-CG1 3.23Å; K106-I110 WeakPolarHBondContact O-CG1 3.33Å; K106-I110 PolarHBondContact O-N 2.85Å; K106-L184 VanDerWaalsContact NZ-CD1 3.34Å
107	F	88.6	Confident	85.1	Confident	9 Å²	9	67 Å²	67	4%	0.039	34%	0.338	C	S	.	.	H	α-helix	trans	-61.2	-45	178.9	-70.3	5	0	0	0	111.5	Y99 I103 K104 K109 I110 L111 L125 L158 L166 L170 L182	Y99-F107 HydrophobicContact CD1-CE2 4.3Å; Y99-F107 AromaticContact CE1-CE2 3.78Å; Y99-F107 HydrophobicContact CE1-CE2 3.78Å; Y99-F107 HydrophobicContact CE1-CZ 4.38Å; Y99-F107 HydrophobicContact CE2-CD2 4.32Å; Y99-F107 HydrophobicContact CE2-CE2 4.1Å; Y99-F107 AromaticContact CZ-CE2 3.69Å; I103-F107 HydrophobicContact CG2-CD1 4.17Å; I103-F107 HydrophobicContact CG2-CD2 4.41Å; I103-F107 HydrophobicContact CG2-CE1 3.76Å; I103-F107 HydrophobicContact CG2-CE2 4.03Å; I103-F107 HydrophobicContact CG2-CG 4.49Å; I103-F107 HydrophobicContact CG2-CZ 3.68Å; I103-F107 WeakPolarHBondContact O-CD1 3.07Å; I103-F107 PolarHBondContact O-N 2.81Å; K104-F107 PolarHBondContact O-N 2.74Å; F107-K109 VanDerWaalsContact C-N 3.34Å; F107-K109 PolarHBondContact O-N 3.17Å; F107-I110 WeakPolarHBondContact O-CB 3.48Å; F107-I110 PolarHBondContact O-N 3.37Å; F107-I110 VanDerWaalsContact O-N 3.15Å; F107-L111 VanDerWaalsContact O-CG 3.32Å; F107-L111 WeakPolarHBondContact O-CG 3.36Å; F107-L111 PolarHBondContact O-N 2.89Å; F107-L125 HydrophobicContact CB-CD2 3.5Å; F107-L125 HydrophobicContact CD2-CD2 4.12Å; F107-L125 HydrophobicContact CG-CD2 4.35Å; F107-L158 HydrophobicContact CE2-CD2 4.19Å; F107-L158 HydrophobicContact CZ-CD2 4.49Å; F107-L166 HydrophobicContact CB-CD1 4.34Å; F107-L166 HydrophobicContact CD2-CD1 4.34Å; F107-L166 HydrophobicContact CD2-CD2 4.04Å; F107-L166 HydrophobicContact CE2-CD2 4.26Å; F107-L166 HydrophobicContact CG-CD1 4.39Å; F107-L170 HydrophobicContact CD1-CD1 4.32Å; F107-L170 HydrophobicContact CD1-CD2 3.51Å; F107-L170 HydrophobicContact CE1-CD1 3.84Å; F107-L170 HydrophobicContact CE1-CD2 3.47Å; F107-L170 VanDerWaalsContact CE1-CD2 3.47Å; F107-L170 HydrophobicContact CE1-CG 4.34Å; F107-L170 HydrophobicContact CE2-CD1 4.34Å; F107-L170 HydrophobicContact CG-CD2 4.39Å; F107-L170 HydrophobicContact CZ-CD1 3.86Å; F107-L170 HydrophobicContact CZ-CD2 4.32Å; F107-L182 HydrophobicContact CE1-CD2 3.81Å; F107-L182 HydrophobicContact CZ-CD2 4.29Å
108	D	90.8	Very high	86.6	Confident	36 Å²	36	65 Å²	65	19%	0.193	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-42.4	176	-174.7	58.8	0	0	0	111.8	K104 A105 K106 I110 L111 R112 R121 L125	K104-D108 PolarHBondContact O-N 3Å; A105-D108 PolarHBondContact O-N 3.47Å; K106-D108 PolarHBondContact O-N 3.15Å; D108-I110 VanDerWaalsContact C-N 3.28Å; D108-I110 PolarHBondContact O-N 2.74Å; D108-L111 PolarHBondContact O-N 3.03Å; D108-R112 WeakPolarHBondContact O-CG 3.34Å; D108-R112 PolarHBondContact O-N 2.98Å; D108-R112 IonicContact OD1-NE 3.86Å; D108-R112 IonicContact OD2-CZ 3.29Å; D108-R112 VanDerWaalsContact OD2-CZ 3.29Å; D108-R112 IonicContact OD2-NE 2.73Å; D108-R112 PolarHBondContact OD2-NE 2.79Å; D108-R112 IonicContact OD2-NH2 2.95Å; D108-R112 PolarHBondContact OD2-NH2 2.86Å; D108-R121 WeakPolarHBondContact OD1-CD 3.09Å; D108-R121 IonicContact OD1-CZ 3.85Å; D108-R121 IonicContact OD1-NE 2.84Å; D108-R121 PolarHBondContact OD1-NE 3.05Å; D108-R121 IonicContact OD1-NH2 3.99Å; D108-L125 HydrophobicContact CB-CD1 4.11Å
109	K	91.1	Very high	88.1	Confident	120 Å²	120	68.6 Å²	68.6	52%	0.522	36%	0.359	S	S	.	.	H	α-helix	trans	-59.3	-39.4	175.9	-177.9	175.8	-177.9	175.8	0	112.2	A105 K106 F107 R112 R113	A105-K109 WeakPolarHBondContact O-CB 3.13Å; A105-K109 PolarHBondContact O-N 3.25Å; K106-K109 WeakPolarHBondContact O-CB 3.37Å; K106-K109 PolarHBondContact O-N 3.27Å; F107-K109 VanDerWaalsContact C-N 3.34Å; F107-K109 PolarHBondContact O-N 3.17Å; K109-R112 PolarHBondContact O-N 3.18Å; K109-R113 WeakPolarHBondContact O-CG 3.34Å; K109-R113 PolarHBondContact O-N 2.87Å; K109-R113 VanDerWaalsContact O-N 3.11Å
110	I	89.3	Confident	89.4	Confident	26 Å²	26	71 Å²	71	13%	0.133	37%	0.371	C	S	.	.	H	α-helix	trans	-66.9	-47.2	178.8	-67.7	178	0	0	0	110.6	K106 F107 D108 R112 R113 A114 L169 L170 L173	K106-I110 VanDerWaalsContact O-CG1 3.23Å; K106-I110 WeakPolarHBondContact O-CG1 3.33Å; K106-I110 PolarHBondContact O-N 2.85Å; F107-I110 WeakPolarHBondContact O-CB 3.48Å; F107-I110 PolarHBondContact O-N 3.37Å; F107-I110 VanDerWaalsContact O-N 3.15Å; D108-I110 VanDerWaalsContact C-N 3.28Å; D108-I110 PolarHBondContact O-N 2.74Å; I110-R112 VanDerWaalsContact C-N 3.31Å; I110-R112 PolarHBondContact O-N 2.73Å; I110-R113 PolarHBondContact O-N 2.89Å; I110-A114 PolarHBondContact O-N 2.73Å; I110-A114 VanDerWaalsContact O-N 3.16Å; I110-L169 HydrophobicContact CG2-CB 3.98Å; I110-L170 HydrophobicContact CD1-CD2 3.44Å; I110-L170 VanDerWaalsContact CD1-CD2 3.44Å; I110-L173 HydrophobicContact CB-CD1 3.74Å; I110-L173 HydrophobicContact CD1-CD1 3.5Å; I110-L173 VanDerWaalsContact CD1-CD1 3.5Å; I110-L173 HydrophobicContact CG1-CD1 3.23Å; I110-L173 HydrophobicContact CG2-CD1 3.39Å
111	L	93.6	Very high	90.4	Very high	0 Å²	0	72 Å²	72	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-63.5	-37.2	177.9	-66	173.6	0	0	0	111.9	F107 D108 A114 N115 I116 R121 L124 L125 L166 L169	F107-L111 VanDerWaalsContact O-CG 3.32Å; F107-L111 WeakPolarHBondContact O-CG 3.36Å; F107-L111 PolarHBondContact O-N 2.89Å; D108-L111 PolarHBondContact O-N 3.03Å; L111-A114 PolarHBondContact O-N 3.44Å; L111-N115 PolarHBondContact O-N 2.91Å; L111-I116 HydrophobicContact CB-CB 4.4Å; L111-I116 HydrophobicContact CD2-CG1 4.41Å; L111-I116 WeakPolarHBondContact O-CB 3.43Å; L111-I116 WeakPolarHBondContact O-CG1 3.32Å; L111-I116 PolarHBondContact O-N 2.8Å; L111-I116 VanDerWaalsContact O-N 3.15Å; L111-R121 HydrophobicContact CB-CB 4.47Å; L111-R121 VanDerWaalsContact CB-CD 3.44Å; L111-R121 HydrophobicContact CB-CG 3.68Å; L111-R121 HydrophobicContact CD1-CB 4.13Å; L111-R121 HydrophobicContact CD1-CG 4.19Å; L111-L124 HydrophobicContact CD1-CB 4.33Å; L111-L124 HydrophobicContact CD1-CD1 4.39Å; L111-L124 HydrophobicContact CD2-CD1 3.85Å; L111-L125 HydrophobicContact CD1-CD2 4.19Å; L111-L125 HydrophobicContact CD1-CG 4.1Å; L111-L166 HydrophobicContact CD1-CD1 4.22Å; L111-L166 HydrophobicContact CD2-CD1 3.98Å; L111-L166 HydrophobicContact CG-CD1 4.16Å; L111-L169 HydrophobicContact CD2-CD1 3.63Å
112	R	93.9	Very high	91	Very high	141 Å²	141	70.6 Å²	70.6	53%	0.532	37%	0.368	S	S	.	.	H	α-helix	trans	-61.7	-44.1	172.8	-74.3	178.1	-168	-111.2	1.5	112.5	D108 K109 I110 A114 N115	D108-R112 WeakPolarHBondContact O-CG 3.34Å; D108-R112 PolarHBondContact O-N 2.98Å; D108-R112 IonicContact OD1-NE 3.86Å; D108-R112 IonicContact OD2-CZ 3.29Å; D108-R112 VanDerWaalsContact OD2-CZ 3.29Å; D108-R112 IonicContact OD2-NE 2.73Å; D108-R112 PolarHBondContact OD2-NE 2.79Å; D108-R112 IonicContact OD2-NH2 2.95Å; D108-R112 PolarHBondContact OD2-NH2 2.86Å; K109-R112 PolarHBondContact O-N 3.18Å; I110-R112 VanDerWaalsContact C-N 3.31Å; I110-R112 PolarHBondContact O-N 2.73Å; R112-A114 PolarHBondContact O-N 2.9Å; R112-N115 PolarHBondContact O-N 3.25Å
113	R	92.3	Very high	92	Very high	162 Å²	162	73.5 Å²	73.5	61%	0.611	37%	0.374	S	S	*	.	H	α-helix	trans	-63	-26.6	177.3	-75.7	175.6	171.1	-176.8	-6.2	112.9	K109 I110 N115	K109-R113 WeakPolarHBondContact O-CG 3.34Å; K109-R113 PolarHBondContact O-N 2.87Å; K109-R113 VanDerWaalsContact O-N 3.11Å; I110-R113 PolarHBondContact O-N 2.89Å; R113-N115 PolarHBondContact O-N 3.44Å
114	A	92.3	Very high	92.7	Very high	39 Å²	39	74.5 Å²	74.5	32%	0.322	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	10.5	173.7	0	0	0	0	0	113.5	I110 L111 R112 I116 L169	I110-A114 PolarHBondContact O-N 2.73Å; I110-A114 VanDerWaalsContact O-N 3.16Å; L111-A114 PolarHBondContact O-N 3.44Å; R112-A114 PolarHBondContact O-N 2.9Å; A114-I116 HydrophobicContact CB-CG1 4.04Å; A114-I116 PolarHBondContact O-N 2.73Å; A114-L169 HydrophobicContact CB-CD1 3.79Å; A114-L169 HydrophobicContact CB-CD2 3.65Å; A114-L169 HydrophobicContact CB-CG 4.32Å
115	N	95.1	Very high	93.1	Very high	148 Å²	148	71.6 Å²	71.6	79%	0.791	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	28	-178.7	-63.1	-31.7	0	0	0	114.5	L111 R112 R113	L111-N115 PolarHBondContact O-N 2.91Å; R112-N115 PolarHBondContact O-N 3.25Å; R113-N115 PolarHBondContact O-N 3.44Å
116	I	95.7	Very high	93.4	Very high	25 Å²	25	72.9 Å²	72.9	13%	0.128	36%	0.363	C	S	.	.			trans	-73.6	134.1	176.1	-56.5	-59.9	0	0	0	110.1	L111 A114 E120 R121 L124 L165 L169	L111-I116 HydrophobicContact CB-CB 4.4Å; L111-I116 HydrophobicContact CD2-CG1 4.41Å; L111-I116 WeakPolarHBondContact O-CB 3.43Å; L111-I116 WeakPolarHBondContact O-CG1 3.32Å; L111-I116 PolarHBondContact O-N 2.8Å; L111-I116 VanDerWaalsContact O-N 3.15Å; A114-I116 HydrophobicContact CB-CG1 4.04Å; A114-I116 PolarHBondContact O-N 2.73Å; I116-E120 HydrophobicContact CG2-CB 3.73Å; I116-E120 HydrophobicContact CG2-CG 3.68Å; I116-R121 HydrophobicContact CB-CG 3.88Å; I116-R121 HydrophobicContact CG2-CG 3.66Å; I116-R121 PolarHBondContact O-NH1 3.23Å; I116-L124 HydrophobicContact CG2-CD1 4.16Å; I116-L165 HydrophobicContact CD1-CD2 4.41Å; I116-L169 HydrophobicContact CG1-CD1 4.23Å
117	T	97.2	Very high	93.8	Very high	85 Å²	85	73.4 Å²	73.4	52%	0.521	37%	0.365	S	S	.	.			trans	-63.3	152.9	-176.8	72.1	0	0	0	0	112.2	S119 E120 R121	T117-S119 VanDerWaalsContact C-N 3.29Å; T117-S119 PolarHBondContact O-N 3.41Å; T117-E120 PolarHBondContact O-N 2.94Å; T117-E120 VanDerWaalsContact OG1-CB 3.3Å; T117-E120 WeakPolarHBondContact OG1-CB 3.29Å; T117-E120 PolarHBondContact OG1-N 3.01Å; T117-R121 VanDerWaalsContact O-CG 3.28Å; T117-R121 WeakPolarHBondContact O-CG 3.12Å; T117-R121 PolarHBondContact O-N 3.17Å
118	A	96.8	Very high	93.9	Very high	65 Å²	65	73 Å²	73	54%	0.537	36%	0.363	S	S	.	.	H	α-helix	trans	-58.7	-38.1	-176.6	0	0	0	0	0	113.8	K122	A118-K122 PolarHBondContact O-N 2.95Å
119	S	97.2	Very high	93.8	Very high	94 Å²	94	73.8 Å²	73.8	66%	0.657	37%	0.366	S	S	*	.	H	α-helix	trans	-64.2	-48.9	176.6	-168.8	0	0	0	0	111.2	T117 R121 K122 E123	T117-S119 VanDerWaalsContact C-N 3.29Å; T117-S119 PolarHBondContact O-N 3.41Å; S119-R121 PolarHBondContact O-N 3.23Å; S119-K122 WeakPolarHBondContact O-CB 3.23Å; S119-K122 PolarHBondContact O-N 2.86Å; S119-E123 PolarHBondContact O-N 3.42Å
120	E	96.6	Very high	93.7	Very high	75 Å²	75	76.7 Å²	76.7	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-65.6	-37.2	-179.8	-172.7	179.4	-177.3	0	0	112	I116 T117 K122 E123 L124	I116-E120 HydrophobicContact CG2-CB 3.73Å; I116-E120 HydrophobicContact CG2-CG 3.68Å; T117-E120 PolarHBondContact O-N 2.94Å; T117-E120 VanDerWaalsContact OG1-CB 3.3Å; T117-E120 WeakPolarHBondContact OG1-CB 3.29Å; T117-E120 PolarHBondContact OG1-N 3.01Å; E120-K122 VanDerWaalsContact C-N 3.34Å; E120-K122 PolarHBondContact O-N 2.93Å; E120-E123 PolarHBondContact O-N 2.82Å; E120-L124 HydrophobicContact CG-CD1 4.13Å; E120-L124 HydrophobicContact CG-CG 4.41Å; E120-L124 WeakPolarHBondContact O-CB 3.34Å; E120-L124 VanDerWaalsContact O-CG 3.28Å; E120-L124 WeakPolarHBondContact O-CG 3.46Å; E120-L124 PolarHBondContact O-N 2.75Å
121	R	95.6	Very high	93.8	Very high	29 Å²	29	76.8 Å²	76.8	11%	0.109	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-45.6	173.3	-64.9	-160.8	-51.4	-82	-2.5	111.8	D108 L111 I116 T117 S119 E123 L124 L125	D108-R121 WeakPolarHBondContact OD1-CD 3.09Å; D108-R121 IonicContact OD1-CZ 3.85Å; D108-R121 IonicContact OD1-NE 2.84Å; D108-R121 PolarHBondContact OD1-NE 3.05Å; D108-R121 IonicContact OD1-NH2 3.99Å; L111-R121 HydrophobicContact CB-CB 4.47Å; L111-R121 VanDerWaalsContact CB-CD 3.44Å; L111-R121 HydrophobicContact CB-CG 3.68Å; L111-R121 HydrophobicContact CD1-CB 4.13Å; L111-R121 HydrophobicContact CD1-CG 4.19Å; I116-R121 HydrophobicContact CB-CG 3.88Å; I116-R121 HydrophobicContact CG2-CG 3.66Å; I116-R121 PolarHBondContact O-NH1 3.23Å; T117-R121 VanDerWaalsContact O-CG 3.28Å; T117-R121 WeakPolarHBondContact O-CG 3.12Å; T117-R121 PolarHBondContact O-N 3.17Å; S119-R121 PolarHBondContact O-N 3.23Å; R121-E123 VanDerWaalsContact C-N 3.32Å; R121-E123 PolarHBondContact O-N 3.03Å; R121-L124 PolarHBondContact O-N 2.95Å; R121-L125 WeakPolarHBondContact O-CB 3.37Å; R121-L125 VanDerWaalsContact O-CG 3.29Å; R121-L125 WeakPolarHBondContact O-CG 3.27Å; R121-L125 PolarHBondContact O-N 3.5Å
122	K	94.5	Very high	93.4	Very high	135 Å²	135	78.2 Å²	78.2	59%	0.587	39%	0.388	S	S	*	.	H	α-helix	trans	-60.7	-44.3	178.1	-176.7	-178.2	176.8	-175.9	0	110.6	A118 S119 E120 Q126	A118-K122 PolarHBondContact O-N 2.95Å; S119-K122 WeakPolarHBondContact O-CB 3.23Å; S119-K122 PolarHBondContact O-N 2.86Å; E120-K122 VanDerWaalsContact C-N 3.34Å; E120-K122 PolarHBondContact O-N 2.93Å; K122-Q126 WeakPolarHBondContact O-CB 3.33Å; K122-Q126 VanDerWaalsContact O-CG 3.29Å; K122-Q126 WeakPolarHBondContact O-CG 3.49Å; K122-Q126 PolarHBondContact O-N 2.97Å
123	E	95.6	Very high	92.9	Very high	129 Å²	129	76 Å²	76	60%	0.603	39%	0.386	S	S	*	.	H	α-helix	trans	-63.9	-47.3	178.4	-170.1	-178.4	167.6	0	0	112.1	S119 E120 R121 L125 Q126 K127	S119-E123 PolarHBondContact O-N 3.42Å; E120-E123 PolarHBondContact O-N 2.82Å; R121-E123 VanDerWaalsContact C-N 3.32Å; R121-E123 PolarHBondContact O-N 3.03Å; E123-L125 PolarHBondContact O-N 3.46Å; E123-Q126 PolarHBondContact O-N 3.05Å; E123-K127 VanDerWaalsContact O-CB 3.31Å; E123-K127 WeakPolarHBondContact O-CB 3.38Å; E123-K127 PolarHBondContact O-N 3.01Å
124	L	95.3	Very high	92.3	Very high	25 Å²	25	72.1 Å²	72.1	13%	0.131	37%	0.374	C	S	.	.	H	α-helix	trans	-59.2	-45.6	177.5	-72.9	169	0	0	0	111.8	L111 I116 E120 R121 K127 S128 L165	L111-L124 HydrophobicContact CD1-CB 4.33Å; L111-L124 HydrophobicContact CD1-CD1 4.39Å; L111-L124 HydrophobicContact CD2-CD1 3.85Å; I116-L124 HydrophobicContact CG2-CD1 4.16Å; E120-L124 HydrophobicContact CG-CD1 4.13Å; E120-L124 HydrophobicContact CG-CG 4.41Å; E120-L124 WeakPolarHBondContact O-CB 3.34Å; E120-L124 VanDerWaalsContact O-CG 3.28Å; E120-L124 WeakPolarHBondContact O-CG 3.46Å; E120-L124 PolarHBondContact O-N 2.75Å; R121-L124 PolarHBondContact O-N 2.95Å; L124-K127 PolarHBondContact O-N 2.83Å; L124-S128 WeakPolarHBondContact O-CB 3.32Å; L124-S128 PolarHBondContact O-N 3.09Å; L124-S128 PolarHBondContact O-OG 3.49Å; L124-L165 HydrophobicContact CD1-CD2 3.89Å; L124-L165 HydrophobicContact CD1-CG 4.44Å; L124-L165 HydrophobicContact CD2-CB 4.38Å; L124-L165 HydrophobicContact CD2-CD2 4.29Å
125	L	92.3	Very high	91.7	Very high	11 Å²	11	73.8 Å²	73.8	6%	0.058	38%	0.38	C	S	.	.	H	α-helix	trans	-64.9	-45.5	178	-68.5	174.9	0	0	0	111.4	K104 F107 D108 L111 R121 E123 K127 S128 E129	K104-L125 HydrophobicContact CG-CD1 4.21Å; F107-L125 HydrophobicContact CB-CD2 3.5Å; F107-L125 HydrophobicContact CD2-CD2 4.12Å; F107-L125 HydrophobicContact CG-CD2 4.35Å; D108-L125 HydrophobicContact CB-CD1 4.11Å; L111-L125 HydrophobicContact CD1-CD2 4.19Å; L111-L125 HydrophobicContact CD1-CG 4.1Å; R121-L125 WeakPolarHBondContact O-CB 3.37Å; R121-L125 VanDerWaalsContact O-CG 3.29Å; R121-L125 WeakPolarHBondContact O-CG 3.27Å; R121-L125 PolarHBondContact O-N 3.5Å; E123-L125 PolarHBondContact O-N 3.46Å; L125-K127 PolarHBondContact O-N 3.07Å; L125-S128 WeakPolarHBondContact CA-OG 3.39Å; L125-S128 PolarHBondContact O-N 2.71Å; L125-S128 PolarHBondContact O-OG 3.42Å; L125-E129 WeakPolarHBondContact O-CG 3.26Å; L125-E129 PolarHBondContact O-N 3.5Å
126	Q	92.2	Very high	91.1	Very high	87 Å²	87	67.1 Å²	67.1	41%	0.407	35%	0.345	S	S	.	.	H	α-helix	trans	-62.7	-41.2	176.6	-76.6	-178.6	-13.8	0	0	112.4	K122 E123 E129 K130	K122-Q126 WeakPolarHBondContact O-CB 3.33Å; K122-Q126 VanDerWaalsContact O-CG 3.29Å; K122-Q126 WeakPolarHBondContact O-CG 3.49Å; K122-Q126 PolarHBondContact O-N 2.97Å; E123-Q126 PolarHBondContact O-N 3.05Å; Q126-E129 PolarHBondContact O-N 2.82Å; Q126-K130 WeakPolarHBondContact O-CB 3.35Å; Q126-K130 WeakPolarHBondContact O-CG 3.37Å; Q126-K130 PolarHBondContact O-N 3.46Å
127	K	93.7	Very high	90.6	Very high	101 Å²	101	66.2 Å²	66.2	44%	0.439	34%	0.341	S	S	.	.	H	α-helix	trans	-61.8	-45.4	174.9	-175.2	-173.8	-174.7	-172.2	0	110.8	E123 L124 L125 E129 K130 T131 M162	E123-K127 VanDerWaalsContact O-CB 3.31Å; E123-K127 WeakPolarHBondContact O-CB 3.38Å; E123-K127 PolarHBondContact O-N 3.01Å; L124-K127 PolarHBondContact O-N 2.83Å; L125-K127 PolarHBondContact O-N 3.07Å; K127-E129 VanDerWaalsContact C-N 3.35Å; K127-E129 PolarHBondContact O-N 3.49Å; K127-K130 PolarHBondContact O-N 3.37Å; K127-T131 HydrophobicContact CG-CG2 4.41Å; K127-T131 WeakPolarHBondContact O-CB 3.42Å; K127-T131 WeakPolarHBondContact O-CG2 3.36Å; K127-T131 PolarHBondContact O-N 2.78Å; K127-T131 PolarHBondContact O-OG1 2.81Å; K127-M162 WeakPolarHBondContact CE-O 3.36Å; K127-M162 PolarHBondContact NZ-O 3.03Å
128	S	91	Very high	90.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-41.5	180	66.1	0	0	0	0	112.1	Y99 L124 L125 T131 L132 N163 L166	Y99-S128 WeakPolarHBondContact CE2-OG 3.3Å; Y99-S128 WeakPolarHBondContact OH-CB 3.46Å; L124-S128 WeakPolarHBondContact O-CB 3.32Å; L124-S128 PolarHBondContact O-N 3.09Å; L124-S128 PolarHBondContact O-OG 3.49Å; L125-S128 WeakPolarHBondContact CA-OG 3.39Å; L125-S128 PolarHBondContact O-N 2.71Å; L125-S128 PolarHBondContact O-OG 3.42Å; S128-T131 PolarHBondContact O-N 2.81Å; S128-T131 PolarHBondContact O-OG1 3.48Å; S128-L132 WeakPolarHBondContact O-CG 3.38Å; S128-L132 PolarHBondContact O-N 2.75Å; S128-L132 VanDerWaalsContact O-N 3.15Å; S128-N163 WeakPolarHBondContact CA-OD1 3.25Å; S128-N163 WeakPolarHBondContact CB-OD1 3.29Å; S128-N163 PolarHBondContact N-OD1 2.83Å; S128-L166 VanDerWaalsContact CB-CD2 3.48Å
129	E	88.4	Confident	90	Very high	53 Å²	53	59.1 Å²	59.1	25%	0.248	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-44.8	173.6	-72.8	172.7	172.2	0	0	112.3	Y99 K104 L125 Q126 K127 T131 L132	Y99-E129 HydrophobicContact CD2-CG 3.42Å; Y99-E129 VanDerWaalsContact CD2-CG 3.42Å; Y99-E129 HydrophobicContact CE2-CG 3.58Å; Y99-E129 HydrophobicContact CG-CG 4.49Å; K104-E129 WeakPolarHBondContact CD-OE1 3.46Å; K104-E129 VanDerWaalsContact CE-OE1 3.22Å; K104-E129 WeakPolarHBondContact CE-OE1 3.17Å; K104-E129 VanDerWaalsContact NZ-CD 3.31Å; K104-E129 IonicContact NZ-OE1 2.97Å; K104-E129 PolarHBondContact NZ-OE1 2.71Å; K104-E129 IonicContact NZ-OE2 3.73Å; K104-E129 PolarHBondContact NZ-OE2 2.88Å; K104-E129 VanDerWaalsContact NZ-OE2 3.14Å; L125-E129 WeakPolarHBondContact O-CG 3.26Å; L125-E129 PolarHBondContact O-N 3.5Å; Q126-E129 PolarHBondContact O-N 2.82Å; K127-E129 VanDerWaalsContact C-N 3.35Å; K127-E129 PolarHBondContact O-N 3.49Å; E129-T131 PolarHBondContact O-N 3.18Å; E129-L132 PolarHBondContact O-N 3.3Å
130	K	89.5	Confident	89.5	Confident	180 Å²	180	54.7 Å²	54.7	78%	0.783	26%	0.259	S	S	*	.	H	α-helix	trans	-67.4	-23.4	179.5	-74.5	178.9	-179.5	-178.1	0	114	Q126 K127	Q126-K130 WeakPolarHBondContact O-CB 3.35Å; Q126-K130 WeakPolarHBondContact O-CG 3.37Å; Q126-K130 PolarHBondContact O-N 3.46Å; K127-K130 PolarHBondContact O-N 3.37Å
131	T	90.1	Very high	89	Confident	29 Å²	29	51.9 Å²	51.9	18%	0.178	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	3.3	-177.5	53.6	0	0	0	0	112.7	K127 S128 E129 I133 P159 M162 N163	K127-T131 HydrophobicContact CG-CG2 4.41Å; K127-T131 WeakPolarHBondContact O-CB 3.42Å; K127-T131 WeakPolarHBondContact O-CG2 3.36Å; K127-T131 PolarHBondContact O-N 2.78Å; K127-T131 PolarHBondContact O-OG1 2.81Å; S128-T131 PolarHBondContact O-N 2.81Å; S128-T131 PolarHBondContact O-OG1 3.48Å; E129-T131 PolarHBondContact O-N 3.18Å; T131-I133 PolarHBondContact O-N 3.05Å; T131-P159 WeakPolarHBondContact O-CD 3.43Å; T131-P159 WeakPolarHBondContact O-CG 3.48Å; T131-M162 HydrophobicContact CG2-CB 4.22Å; T131-M162 HydrophobicContact CG2-SD 3.86Å; T131-N163 PolarHBondContact OG1-ND2 3.36Å; T131-N163 PolarHBondContact OG1-OD1 2.9Å
132	L	86.3	Confident	88.7	Confident	30 Å²	30	52.1 Å²	52.1	16%	0.157	25%	0.249	C	C	.	.			trans	-58.6	135.5	172.1	-81.4	175.5	0	0	0	110.6	Y99 S128 E129 Y156 L158	Y99-L132 HydrophobicContact CD1-CD1 4.17Å; Y99-L132 HydrophobicContact CE1-CD1 3.86Å; Y99-L132 HydrophobicContact CE1-CD2 3.75Å; Y99-L132 HydrophobicContact CE1-CG 4.2Å; Y99-L132 HydrophobicContact CE2-CD1 4.32Å; S128-L132 WeakPolarHBondContact O-CG 3.38Å; S128-L132 PolarHBondContact O-N 2.75Å; S128-L132 VanDerWaalsContact O-N 3.15Å; E129-L132 PolarHBondContact O-N 3.3Å; L132-Y156 HydrophobicContact CB-CD1 4.33Å; L132-L158 HydrophobicContact CD2-CB 4.11Å; L132-L158 HydrophobicContact CD2-CD1 4.36Å
133	I	82.3	Confident	88.5	Confident	94 Å²	94	50 Å²	50	48%	0.482	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.3	174.5	-60.2	172.2	0	0	0	107.2	T131 V135 Y156 A157 P159	T131-I133 PolarHBondContact O-N 3.05Å; I133-V135 PolarHBondContact O-N 3.26Å; I133-Y156 CarbonylContact O-C 3.52Å; I133-Y156 VanDerWaalsContact O-CA 3.23Å; I133-Y156 WeakPolarHBondContact O-CA 3.39Å; I133-A157 HydrophobicContact CB-CB 4.49Å; I133-A157 PolarHBondContact N-O 2.82Å; I133-A157 PolarHBondContact O-N 3.27Å; I133-P159 HydrophobicContact CD1-CB 4.24Å; I133-P159 HydrophobicContact CD1-CG 4.13Å; I133-P159 HydrophobicContact CG1-CG 4.34Å
134	E	80.7	Confident	88.4	Confident	80 Å²	80	47.3 Å²	47.3	37%	0.374	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	109.7	170.3	-169.2	172.5	87.3	0	0	108.9	S137 Y156	E134-S137 WeakPolarHBondContact OE1-CB 3.48Å; E134-S137 WeakPolarHBondContact OE2-CB 3.48Å; E134-Y156 HydrophobicContact CB-CD1 3.91Å; E134-Y156 HydrophobicContact CB-CE1 3.63Å; E134-Y156 HydrophobicContact CG-CD1 4.25Å; E134-Y156 HydrophobicContact CG-CE1 3.69Å; E134-Y156 PolarHBondContact OE2-OH 2.86Å; E134-Y156 VanDerWaalsContact OE2-OH 3.05Å
135	V	80.3	Confident	88.4	Confident	74 Å²	74	46.6 Å²	46.6	45%	0.448	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-45.5	179.7	178	0	0	0	0	109.4	I133 Y155 A157	I133-V135 PolarHBondContact O-N 3.26Å; V135-Y155 PolarHBondContact N-O 2.82Å; V135-A157 HydrophobicContact CG2-CB 3.64Å
136	I	81.7	Confident	88.6	Confident	9 Å²	9	46.1 Å²	46.1	5%	0.046	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	136	176.2	-168.9	146.3	0	0	0	110.1	M140 Y155 M192 M196 A211 F212	I136-M140 HydrophobicContact CD1-CE 3.18Å; I136-M140 HydrophobicContact CG1-CE 3.75Å; I136-M140 HydrophobicContact CG2-CE 4.2Å; I136-Y155 HydrophobicContact CG2-CD2 3.75Å; I136-Y155 HydrophobicContact CG2-CG 4.26Å; I136-Y155 PolarHBondContact N-O 2.98Å; I136-Y155 PolarHBondContact O-N 3.22Å; I136-M192 HydrophobicContact CG2-SD 4.27Å; I136-M196 HydrophobicContact CD1-CE 3.95Å; I136-M196 HydrophobicContact CD1-CG 4.42Å; I136-M196 HydrophobicContact CD1-SD 4.35Å; I136-A211 HydrophobicContact CD1-CB 3.93Å; I136-A211 HydrophobicContact CG1-CB 3.74Å; I136-F212 HydrophobicContact CD1-CD1 3.9Å; I136-F212 HydrophobicContact CD1-CE1 3.46Å; I136-F212 VanDerWaalsContact CD1-CE1 3.46Å; I136-F212 HydrophobicContact CD1-CZ 4.01Å
137	S	86	Confident	88.9	Confident	6 Å²	6	42.2 Å²	42.2	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	130.6	176.6	-177.4	0	0	0	0	109.1	K51 T52 E134 Y153 H154 A211	K51-S137 PolarHBondContact O-OG 3.08Å; K51-S137 VanDerWaalsContact O-OG 3.05Å; T52-S137 WeakPolarHBondContact CG2-O 3.47Å; E134-S137 WeakPolarHBondContact OE1-CB 3.48Å; E134-S137 WeakPolarHBondContact OE2-CB 3.48Å; S137-Y153 VanDerWaalsContact CA-O 3.27Å; S137-Y153 WeakPolarHBondContact CA-O 3.31Å; S137-H154 PolarHBondContact OG-ND1 3.14Å; S137-A211 WeakPolarHBondContact O-CA 3.17Å
138	G	90.4	Very high	89.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.8	175.6	-179.4	0	0	0	0	0	114.6	E152 Y153 S210	G138-E152 CarbonylContact O-C 3.56Å; G138-E152 VanDerWaalsContact O-CA 3.29Å; G138-E152 WeakPolarHBondContact O-CA 3.34Å; G138-Y153 PolarHBondContact N-O 3.45Å; G138-Y153 VanDerWaalsContact N-O 3.1Å; G138-Y153 PolarHBondContact O-N 3.14Å; G138-S210 WeakPolarHBondContact CA-OG 3.29Å
139	S	91	Very high	89.4	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	140.3	166.9	54.9	0	0	0	0	111.8	E70 V151 Y209 S210 A211	E70-S139 VanDerWaalsContact CD-OG 3.25Å; E70-S139 WeakPolarHBondContact OE1-CB 3.14Å; E70-S139 PolarHBondContact OE1-OG 2.94Å; S139-V151 WeakPolarHBondContact CA-O 3.35Å; S139-Y209 WeakPolarHBondContact O-CB 3.2Å; S139-S210 PolarHBondContact N-OG 2.97Å; S139-S210 WeakPolarHBondContact OG-CB 3.28Å; S139-S210 PolarHBondContact OG-N 2.91Å; S139-S210 PolarHBondContact OG-OG 2.75Å; S139-A211 WeakPolarHBondContact O-CB 3.39Å; S139-A211 PolarHBondContact O-N 3.43Å
140	M	86.4	Confident	89.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.			trans	-131.8	159.1	175.3	-90.5	-154.5	-173	0	0	111.9	I136 Y142 N145 V151 Y153 M192 M196 Y209 A211 F212	I136-M140 HydrophobicContact CD1-CE 3.18Å; I136-M140 HydrophobicContact CG1-CE 3.75Å; I136-M140 HydrophobicContact CG2-CE 4.2Å; M140-Y142 PolarHBondContact O-N 2.98Å; M140-N145 PolarHBondContact O-ND2 3.1Å; M140-V151 PolarHBondContact N-O 3.31Å; M140-Y153 HydrophobicContact CB-CD2 3.47Å; M140-Y153 VanDerWaalsContact CB-CD2 3.47Å; M140-Y153 HydrophobicContact CB-CE2 3.61Å; M140-Y153 HydrophobicContact CE-CD2 4.22Å; M140-Y153 HydrophobicContact CG-CD2 3.49Å; M140-Y153 VanDerWaalsContact CG-CD2 3.49Å; M140-Y153 HydrophobicContact CG-CE2 3.96Å; M140-Y153 HydrophobicContact SD-CD2 3.29Å; M140-Y153 WeakPolarHBondContact SD-CD2 3.44Å; M140-Y153 HydrophobicContact SD-CE2 3.47Å; M140-Y153 WeakPolarHBondContact SD-CE2 3.37Å; M140-Y153 HydrophobicContact SD-CG 4.28Å; M140-M192 HydrophobicContact CE-CG 4.47Å; M140-M196 HydrophobicContact CE-CG 3.51Å; M140-M196 HydrophobicContact CE-SD 4.27Å; M140-M196 HydrophobicContact SD-CG 4.41Å; M140-Y209 WeakPolarHBondContact O-CE1 3.45Å; M140-A211 HydrophobicContact CE-CB 4.35Å; M140-A211 HydrophobicContact CG-CB 3.77Å; M140-F212 HydrophobicContact CE-CE1 4.13Å; M140-F212 HydrophobicContact CE-CE2 4.31Å; M140-F212 HydrophobicContact CE-CZ 3.58Å; M140-F212 HydrophobicContact CG-CE2 4.03Å; M140-F212 HydrophobicContact CG-CZ 4.2Å; M140-F212 HydrophobicContact SD-CE2 4.44Å; M140-F212 HydrophobicContact SD-CZ 4.07Å
141	P	85.9	Confident	90	Very high	17 Å²	17	26.7 Å²	26.7	11%	0.11	14%	0.143	C	C	.	.			trans	-64.2	119.3	170.8	24.4	-28.8	0	0	0	109.7	Q195 A199 F205 Y209	P141-Q195 VanDerWaalsContact O-CD 3.22Å; P141-Q195 PolarHBondContact O-NE2 3.23Å; P141-Q195 PolarHBondContact O-OE1 3.38Å; P141-Q195 VanDerWaalsContact O-OE1 3.14Å; P141-A199 HydrophobicContact CG-CB 3.73Å; P141-F205 HydrophobicContact CB-CD2 4.47Å; P141-F205 HydrophobicContact CB-CE2 4.43Å; P141-Y209 HydrophobicContact CB-CD2 4.27Å; P141-Y209 HydrophobicContact CB-CE1 4.18Å; P141-Y209 HydrophobicContact CB-CE2 3.61Å; P141-Y209 HydrophobicContact CG-CD2 4.16Å; P141-Y209 HydrophobicContact CG-CE2 3.98Å; P141-Y209 VanDerWaalsContact N-CE1 3.25Å
142	Y	88.7	Confident	90.1	Very high	34 Å²	34	25.3 Å²	25.3	13%	0.133	14%	0.135	C	C	.	.			trans	-140.1	139.8	176.6	-155.4	-86.4	0	0	0	109.1	M140 W144 N145 V151 Y153 Q195	M140-Y142 PolarHBondContact O-N 2.98Å; Y142-W144 HydrophobicContact CD1-CB 3.76Å; Y142-W144 HydrophobicContact CD1-CD2 4.12Å; Y142-W144 HydrophobicContact CD1-CE3 4.26Å; Y142-W144 AromaticContact CD1-CG 3.89Å; Y142-W144 HydrophobicContact CD1-CG 3.89Å; Y142-W144 HydrophobicContact CE1-CB 4.01Å; Y142-W144 AromaticContact CE1-CD2 3.41Å; Y142-W144 HydrophobicContact CE1-CD2 3.41Å; Y142-W144 VanDerWaalsContact CE1-CD2 3.41Å; Y142-W144 AromaticContact CE1-CE2 3.96Å; Y142-W144 AromaticContact CE1-CE3 3.45Å; Y142-W144 HydrophobicContact CE1-CE3 3.45Å; Y142-W144 VanDerWaalsContact CE1-CE3 3.45Å; Y142-W144 AromaticContact CE1-CG 3.65Å; Y142-W144 HydrophobicContact CE1-CG 3.65Å; Y142-W144 HydrophobicContact CE1-CZ3 4.03Å; Y142-W144 PolarHBondContact O-N 2.93Å; Y142-N145 PolarHBondContact N-ND2 3.34Å; Y142-N145 WeakPolarHBondContact O-CB 3.29Å; Y142-N145 PolarHBondContact O-N 2.87Å; Y142-V151 HydrophobicContact CD1-CG2 3.89Å; Y142-V151 HydrophobicContact CD2-CB 4.44Å; Y142-V151 HydrophobicContact CD2-CG1 4.34Å; Y142-V151 HydrophobicContact CD2-CG2 4.18Å; Y142-V151 HydrophobicContact CG-CB 4.16Å; Y142-V151 HydrophobicContact CG-CG2 3.74Å; Y142-Y153 HydrophobicContact CD2-CE2 4.45Å; Y142-Y153 WeakPolarHBondContact CD2-OH 3.39Å; Y142-Y153 VanDerWaalsContact CE2-OH 3.3Å; Y142-Y153 WeakPolarHBondContact CE2-OH 3.31Å; Y142-Q195 VanDerWaalsContact CD2-OE1 3.22Å
143	S	90.8	Very high	90.1	Very high	91 Å²	91	24.2 Å²	24.2	64%	0.636	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.7	-175.3	52.6	0	0	0	0	114.2
144	W	93.9	Very high	90.1	Very high	71 Å²	71	19.8 Å²	19.8	27%	0.269	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	0.8	175.2	-54.2	-16.9	0	0	0	113.5	W22 I80 L81 Y142 T146	W22-W144 AromaticContact CZ2-CZ3 3.95Å; W22-W144 HydrophobicContact CZ2-CZ3 3.95Å; I80-W144 HydrophobicContact CB-CD2 4.19Å; I80-W144 HydrophobicContact CB-CG 4.29Å; I80-W144 HydrophobicContact CD1-CG 4.45Å; I80-W144 HydrophobicContact CG2-CD2 4Å; I80-W144 HydrophobicContact CG2-CE3 4.04Å; I80-W144 HydrophobicContact CG2-CH2 4.43Å; I80-W144 HydrophobicContact CG2-CZ2 4.39Å; I80-W144 HydrophobicContact CG2-CZ3 4.27Å; L81-W144 WeakPolarHBondContact CD1-O 2.99Å; L81-W144 HydrophobicContact CD2-CB 4.26Å; L81-W144 HydrophobicContact CD2-CE3 4.05Å; L81-W144 HydrophobicContact CG-CB 4.16Å; Y142-W144 HydrophobicContact CD1-CB 3.76Å; Y142-W144 HydrophobicContact CD1-CD2 4.12Å; Y142-W144 HydrophobicContact CD1-CE3 4.26Å; Y142-W144 AromaticContact CD1-CG 3.89Å; Y142-W144 HydrophobicContact CD1-CG 3.89Å; Y142-W144 HydrophobicContact CE1-CB 4.01Å; Y142-W144 AromaticContact CE1-CD2 3.41Å; Y142-W144 HydrophobicContact CE1-CD2 3.41Å; Y142-W144 VanDerWaalsContact CE1-CD2 3.41Å; Y142-W144 AromaticContact CE1-CE2 3.96Å; Y142-W144 AromaticContact CE1-CE3 3.45Å; Y142-W144 HydrophobicContact CE1-CE3 3.45Å; Y142-W144 VanDerWaalsContact CE1-CE3 3.45Å; Y142-W144 AromaticContact CE1-CG 3.65Å; Y142-W144 HydrophobicContact CE1-CG 3.65Å; Y142-W144 HydrophobicContact CE1-CZ3 4.03Å; Y142-W144 PolarHBondContact O-N 2.93Å; W144-T146 PolarHBondContact O-N 3.09Å
145	N	95.1	Very high	90	Very high	11 Å²	11	16.4 Å²	16.4	6%	0.059	9%	0.09	C	C	.	.			trans	-65.6	136.9	173.2	-69.4	-10.4	0	0	0	109.7	M140 Y142 W150 V151	M140-N145 PolarHBondContact O-ND2 3.1Å; Y142-N145 PolarHBondContact N-ND2 3.34Å; Y142-N145 WeakPolarHBondContact O-CB 3.29Å; Y142-N145 PolarHBondContact O-N 2.87Å; N145-W150 HydrophobicContact CB-CB 4.37Å; N145-W150 VanDerWaalsContact OD1-CA 3.3Å; N145-W150 WeakPolarHBondContact OD1-CA 3.27Å; N145-V151 PolarHBondContact OD1-N 2.86Å
146	T	97.2	Very high	90	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.			trans	-126.4	-178.4	175.3	62	0	0	0	0	108.4	W16 N68 T73 Y75 G77 W144 N148 A149	W16-T146 HydrophobicContact CE3-CG2 4.17Å; N68-T146 WeakPolarHBondContact CB-O 3.42Å; N68-T146 PolarHBondContact ND2-O 3.35Å; T73-T146 VanDerWaalsContact CG2-C 3.47Å; T73-T146 WeakPolarHBondContact CG2-O 3.03Å; T73-T146 VanDerWaalsContact OG1-C 3.26Å; T73-T146 VanDerWaalsContact OG1-CA 3.31Å; T73-T146 WeakPolarHBondContact OG1-CA 3.21Å; Y75-T146 CarbonylContact O-C 3.58Å; Y75-T146 WeakPolarHBondContact O-CA 3.08Å; Y75-T146 WeakPolarHBondContact O-CB 3.33Å; G77-T146 WeakPolarHBondContact O-CB 3.09Å; G77-T146 PolarHBondContact O-OG1 2.63Å; W144-T146 PolarHBondContact O-N 3.09Å; T146-N148 PolarHBondContact O-N 2.82Å; T146-N148 PolarHBondContact OG1-N 3.32Å; T146-A149 PolarHBondContact N-O 3.07Å; T146-A149 PolarHBondContact OG1-N 3.05Å; T146-A149 PolarHBondContact OG1-O 3.44Å
147	D	97.5	Very high	89.9	Confident	5 Å²	5	16.6 Å²	16.6	3%	0.027	9%	0.091	C	C	.	.	S	Bend	trans	-67.3	-21.6	172.5	-65.6	-4.6	0	0	0	112.3	W4 Y11 A13 L67 N68 T73 Y75	W4-D147 HydrophobicContact CH2-CB 3.96Å; W4-D147 HydrophobicContact CZ2-CB 4.01Å; Y11-D147 WeakPolarHBondContact CE1-OD2 3.45Å; Y11-D147 VanDerWaalsContact CZ-OD2 3.25Å; Y11-D147 VanDerWaalsContact OH-CG 3.23Å; Y11-D147 PolarHBondContact OH-OD1 3.21Å; Y11-D147 PolarHBondContact OH-OD2 3.16Å; A13-D147 WeakPolarHBondContact CB-OD2 3.43Å; L67-D147 CarbonylContact C-O 3.5Å; L67-D147 WeakPolarHBondContact CA-O 3.3Å; N68-D147 PolarHBondContact N-O 3.16Å; T73-D147 WeakPolarHBondContact CB-OD1 3.31Å; T73-D147 PolarHBondContact N-OD1 2.9Å; T73-D147 PolarHBondContact OG1-N 3.25Å; T73-D147 VanDerWaalsContact OG1-N 3.16Å; T73-D147 PolarHBondContact OG1-OD1 3.29Å; Y75-D147 WeakPolarHBondContact O-CB 3.23Å; Y75-D147 VanDerWaalsContact O-CG 3.22Å; Y75-D147 PolarHBondContact O-N 3.19Å
148	N	97.9	Very high	89.8	Confident	8 Å²	8	18.2 Å²	18.2	4%	0.043	10%	0.099	C	C	.	.	S	Bend	trans	-124.5	-0.8	-171.6	-47	118.7	0	0	0	114.7	P66 G77 W84 G85 T146	P66-N148 HydrophobicContact CG-CB 4.49Å; P66-N148 VanDerWaalsContact CG-O 3.27Å; P66-N148 WeakPolarHBondContact CG-O 3.48Å; P66-N148 VanDerWaalsContact O-CA 3.3Å; P66-N148 WeakPolarHBondContact O-CA 3.36Å; P66-N148 PolarHBondContact O-ND2 3.22Å; G77-N148 PolarHBondContact N-OD1 3.01Å; W84-N148 HydrophobicContact CE3-CB 3.69Å; W84-N148 HydrophobicContact CZ3-CB 3.61Å; G85-N148 PolarHBondContact N-O 3.13Å; T146-N148 PolarHBondContact O-N 2.82Å; T146-N148 PolarHBondContact OG1-N 3.32Å
149	A	97.7	Very high	89.4	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	134.6	173.6	0	0	0	0	0	109.8	R78 L81 R83 G85 T146	R78-A149 HydrophobicContact CB-CB 4.39Å; R78-A149 HydrophobicContact CG-CB 4.45Å; L81-A149 HydrophobicContact CB-CB 4.08Å; L81-A149 HydrophobicContact CD1-CB 3.82Å; R83-A149 WeakPolarHBondContact O-CB 3.28Å; G85-A149 CarbonylContact O-C 3.55Å; G85-A149 VanDerWaalsContact O-CA 3.28Å; G85-A149 WeakPolarHBondContact O-CA 3.29Å; T146-A149 PolarHBondContact N-O 3.07Å; T146-A149 PolarHBondContact OG1-N 3.05Å; T146-A149 PolarHBondContact OG1-O 3.44Å
150	W	96.6	Very high	89.1	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	159.9	-178.5	59.8	93	0	0	0	112	Y59 P66 L67 N68 P69 G85 P86 N87 N145 E152	Y59-W150 AromaticContact CD1-CH2 3.89Å; Y59-W150 HydrophobicContact CD1-CH2 3.89Å; Y59-W150 AromaticContact CD1-CZ2 3.6Å; Y59-W150 HydrophobicContact CD1-CZ2 3.6Å; Y59-W150 AromaticContact CD2-CH2 3.83Å; Y59-W150 HydrophobicContact CD2-CH2 3.83Å; Y59-W150 HydrophobicContact CD2-CZ2 4.4Å; Y59-W150 HydrophobicContact CE1-CH2 4.43Å; Y59-W150 HydrophobicContact CE1-CZ2 4.2Å; Y59-W150 HydrophobicContact CE2-CH2 4.34Å; Y59-W150 AromaticContact CG-CH2 3.58Å; Y59-W150 HydrophobicContact CG-CH2 3.58Å; Y59-W150 AromaticContact CG-CZ2 3.74Å; Y59-W150 HydrophobicContact CG-CZ2 3.74Å; P66-W150 HydrophobicContact CB-CH2 4.12Å; P66-W150 HydrophobicContact CB-CZ3 4.15Å; L67-W150 WeakPolarHBondContact O-CH2 3.24Å; N68-W150 VanDerWaalsContact CA-CE3 3.49Å; N68-W150 VanDerWaalsContact CA-CZ3 3.46Å; N68-W150 HydrophobicContact CB-CD2 4.43Å; N68-W150 HydrophobicContact CB-CE3 3.8Å; N68-W150 HydrophobicContact CB-CZ3 4.22Å; P69-W150 HydrophobicContact CG-CZ2 4.1Å; G85-W150 PolarHBondContact O-N 3.31Å; P86-W150 CarbonylContact C-O 3.57Å; P86-W150 HydrophobicContact CB-CZ2 4.38Å; N87-W150 WeakPolarHBondContact CB-O 3.42Å; N87-W150 PolarHBondContact N-O 3.32Å; N87-W150 PolarHBondContact ND2-O 2.8Å; N145-W150 HydrophobicContact CB-CB 4.37Å; N145-W150 VanDerWaalsContact OD1-CA 3.3Å; N145-W150 WeakPolarHBondContact OD1-CA 3.27Å; W150-E152 PolarHBondContact NE1-OE1 3.33Å
151	V	93.3	Very high	89	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	135.6	174.9	171.6	0	0	0	0	110.3	L81 N87 L89 S139 M140 Y142 N145 Y153	L81-V151 HydrophobicContact CD1-CG2 4.42Å; L81-V151 HydrophobicContact CD2-CG2 3.84Å; N87-V151 WeakPolarHBondContact O-CA 3.3Å; L89-V151 HydrophobicContact CB-CG1 4.37Å; L89-V151 HydrophobicContact CD1-CB 4.46Å; L89-V151 HydrophobicContact CD1-CG1 3.55Å; L89-V151 HydrophobicContact CD1-CG2 4.03Å; L89-V151 HydrophobicContact CG-CG1 3.92Å; S139-V151 WeakPolarHBondContact CA-O 3.35Å; M140-V151 PolarHBondContact N-O 3.31Å; Y142-V151 HydrophobicContact CD1-CG2 3.89Å; Y142-V151 HydrophobicContact CD2-CB 4.44Å; Y142-V151 HydrophobicContact CD2-CG1 4.34Å; Y142-V151 HydrophobicContact CD2-CG2 4.18Å; Y142-V151 HydrophobicContact CG-CB 4.16Å; Y142-V151 HydrophobicContact CG-CG2 3.74Å; N145-V151 PolarHBondContact OD1-N 2.86Å; V151-Y153 HydrophobicContact CG1-CD2 4.01Å; V151-Y153 HydrophobicContact CG1-CE1 4.35Å; V151-Y153 HydrophobicContact CG1-CE2 3.8Å; V151-Y153 HydrophobicContact CG1-CG 4.41Å
152	E	91.8	Very high	89.1	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.9	165.2	-58.8	-168.5	167.8	0	0	109.4	R49 A50 P86 N87 H88 L89 G138 W150	R49-E152 WeakPolarHBondContact CD-OE1 2.97Å; R49-E152 IonicContact NE-OE1 3.82Å; A50-E152 WeakPolarHBondContact CA-OE2 3.32Å; A50-E152 HydrophobicContact CB-CB 4.13Å; A50-E152 WeakPolarHBondContact CB-OE2 3.34Å; A50-E152 PolarHBondContact N-OE2 3.17Å; P86-E152 HydrophobicContact CB-CG 4.07Å; N87-E152 PolarHBondContact O-N 2.64Å; H88-E152 CarbonylContact C-O 3.57Å; H88-E152 WeakPolarHBondContact CA-O 3.24Å; H88-E152 IonicContact CE1-OE2 3.35Å; H88-E152 PolarHBondContact CE1-OE2 3.04Å; H88-E152 IonicContact ND1-OE2 3.72Å; L89-E152 PolarHBondContact N-O 3.19Å; G138-E152 CarbonylContact O-C 3.56Å; G138-E152 VanDerWaalsContact O-CA 3.29Å; G138-E152 WeakPolarHBondContact O-CA 3.34Å; W150-E152 PolarHBondContact NE1-OE1 3.33Å
153	Y	86.2	Confident	89.2	Confident	8 Å²	8	30.6 Å²	30.6	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	151.8	-179.9	-74.4	-74.2	0	0	0	111.9	L89 S137 G138 M140 Y142 V151 Y155 Q195	L89-Y153 HydrophobicContact CB-CD1 3.73Å; L89-Y153 HydrophobicContact CB-CE1 3.85Å; L89-Y153 HydrophobicContact CD1-CE1 4.07Å; L89-Y153 CarbonylContact O-C 3.36Å; L89-Y153 WeakPolarHBondContact O-CA 3.25Å; S137-Y153 VanDerWaalsContact CA-O 3.27Å; S137-Y153 WeakPolarHBondContact CA-O 3.31Å; G138-Y153 PolarHBondContact N-O 3.45Å; G138-Y153 VanDerWaalsContact N-O 3.1Å; G138-Y153 PolarHBondContact O-N 3.14Å; M140-Y153 HydrophobicContact CB-CD2 3.47Å; M140-Y153 VanDerWaalsContact CB-CD2 3.47Å; M140-Y153 HydrophobicContact CB-CE2 3.61Å; M140-Y153 HydrophobicContact CE-CD2 4.22Å; M140-Y153 HydrophobicContact CG-CD2 3.49Å; M140-Y153 VanDerWaalsContact CG-CD2 3.49Å; M140-Y153 HydrophobicContact CG-CE2 3.96Å; M140-Y153 HydrophobicContact SD-CD2 3.29Å; M140-Y153 WeakPolarHBondContact SD-CD2 3.44Å; M140-Y153 HydrophobicContact SD-CE2 3.47Å; M140-Y153 WeakPolarHBondContact SD-CE2 3.37Å; M140-Y153 HydrophobicContact SD-CG 4.28Å; Y142-Y153 HydrophobicContact CD2-CE2 4.45Å; Y142-Y153 WeakPolarHBondContact CD2-OH 3.39Å; Y142-Y153 VanDerWaalsContact CE2-OH 3.3Å; Y142-Y153 WeakPolarHBondContact CE2-OH 3.31Å; V151-Y153 HydrophobicContact CG1-CD2 4.01Å; V151-Y153 HydrophobicContact CG1-CE1 4.35Å; V151-Y153 HydrophobicContact CG1-CE2 3.8Å; V151-Y153 HydrophobicContact CG1-CG 4.41Å; Y153-Y155 HydrophobicContact CD1-CD2 4.33Å; Y153-Y155 AromaticContact CD1-CE2 3.29Å; Y153-Y155 HydrophobicContact CD1-CE2 3.29Å; Y153-Y155 AromaticContact CD1-CZ 3.87Å; Y153-Y155 HydrophobicContact CE1-CE2 4.04Å; Y153-Y155 HydrophobicContact CG-CD2 4.42Å; Y153-Y155 AromaticContact CG-CE2 3.71Å; Y153-Y155 HydrophobicContact CG-CE2 3.71Å; Y153-Q195 PolarHBondContact OH-OE1 2.75Å
154	H	82.9	Confident	89.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	105.3	172.4	-61.7	-88.4	0	0	0	109.9	A50 H88 L89 F91 V92 A95 S137 Y156	A50-H154 WeakPolarHBondContact CB-CE1 3.49Å; H88-H154 AromaticContact CE1-NE2 3.78Å; H88-H154 AromaticContact CG-NE2 3.71Å; H88-H154 AromaticContact ND1-CD2 3.8Å; H88-H154 AromaticContact ND1-NE2 3.07Å; H88-H154 PolarHBondContact ND1-NE2 2.9Å; L89-H154 PolarHBondContact O-N 2.04Å; F91-H154 PolarHBondContact N-O 3.45Å; V92-H154 HydrophobicContact CB-CB 4.23Å; V92-H154 HydrophobicContact CG1-CB 3.38Å; V92-H154 HydrophobicContact CG2-CB 3.75Å; A95-H154 WeakPolarHBondContact CB-CE1 3.46Å; S137-H154 PolarHBondContact OG-ND1 3.14Å; H154-Y156 HydrophobicContact CB-CE2 4.06Å
155	Y	79.5	Confident	89.1	Confident	10 Å²	10	33.7 Å²	33.7	4%	0.039	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.3	176.9	-67.9	-90	0	0	0	111.2	F91 V135 I136 Y153 W189 M192	F91-Y155 HydrophobicContact CD2-CD1 4.04Å; F91-Y155 HydrophobicContact CD2-CE1 4.47Å; F91-Y155 HydrophobicContact CE2-CD1 4.24Å; V135-Y155 PolarHBondContact N-O 2.82Å; I136-Y155 HydrophobicContact CG2-CD2 3.75Å; I136-Y155 HydrophobicContact CG2-CG 4.26Å; I136-Y155 PolarHBondContact N-O 2.98Å; I136-Y155 PolarHBondContact O-N 3.22Å; Y153-Y155 HydrophobicContact CD1-CD2 4.33Å; Y153-Y155 AromaticContact CD1-CE2 3.29Å; Y153-Y155 HydrophobicContact CD1-CE2 3.29Å; Y153-Y155 AromaticContact CD1-CZ 3.87Å; Y153-Y155 HydrophobicContact CE1-CE2 4.04Å; Y153-Y155 HydrophobicContact CG-CD2 4.42Å; Y153-Y155 AromaticContact CG-CE2 3.71Å; Y153-Y155 HydrophobicContact CG-CE2 3.71Å; Y155-W189 AromaticContact CD1-CE3 3.93Å; Y155-W189 HydrophobicContact CD1-CE3 3.93Å; Y155-W189 AromaticContact CD1-CZ3 3.8Å; Y155-W189 HydrophobicContact CD1-CZ3 3.8Å; Y155-W189 AromaticContact CE1-CE3 3.99Å; Y155-W189 HydrophobicContact CE1-CE3 3.99Å; Y155-W189 HydrophobicContact CE1-CZ3 4.32Å; Y155-W189 HydrophobicContact CG-CZ3 4.31Å; Y155-M192 HydrophobicContact CD1-SD 3.74Å; Y155-M192 HydrophobicContact CD2-CG 4.01Å; Y155-M192 HydrophobicContact CD2-SD 3.2Å; Y155-M192 WeakPolarHBondContact CD2-SD 3.47Å; Y155-M192 HydrophobicContact CE1-SD 3.73Å; Y155-M192 HydrophobicContact CE2-CB 4.03Å; Y155-M192 HydrophobicContact CE2-CG 3.4Å; Y155-M192 HydrophobicContact CE2-SD 3.14Å; Y155-M192 WeakPolarHBondContact CE2-SD 3.3Å; Y155-M192 HydrophobicContact CG-SD 3.48Å
156	Y	80.2	Confident	88.8	Confident	46 Å²	46	33.2 Å²	33.2	18%	0.18	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.5	-179.4	-60.2	-87.5	0	0	0	110.3	V92 L132 I133 E134 H154	V92-Y156 HydrophobicContact CG1-CE2 3.83Å; L132-Y156 HydrophobicContact CB-CD1 4.33Å; I133-Y156 CarbonylContact O-C 3.52Å; I133-Y156 VanDerWaalsContact O-CA 3.23Å; I133-Y156 WeakPolarHBondContact O-CA 3.39Å; E134-Y156 HydrophobicContact CB-CD1 3.91Å; E134-Y156 HydrophobicContact CB-CE1 3.63Å; E134-Y156 HydrophobicContact CG-CD1 4.25Å; E134-Y156 HydrophobicContact CG-CE1 3.69Å; E134-Y156 PolarHBondContact OE2-OH 2.86Å; E134-Y156 VanDerWaalsContact OE2-OH 3.05Å; H154-Y156 HydrophobicContact CB-CE2 4.06Å
157	A	79.4	Confident	88.4	Confident	41 Å²	41	33.7 Å²	33.7	34%	0.339	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.8	169.5	0	0	0	0	0	109.8	I133 V135 P159	I133-A157 HydrophobicContact CB-CB 4.49Å; I133-A157 PolarHBondContact N-O 2.82Å; I133-A157 PolarHBondContact O-N 3.27Å; V135-A157 HydrophobicContact CG2-CB 3.64Å; A157-P159 VanDerWaalsContact O-CD 3.29Å; A157-P159 WeakPolarHBondContact O-CD 3.3Å
158	L	83.6	Confident	87.9	Confident	40 Å²	40	36.4 Å²	36.4	21%	0.209	19%	0.194	C	C	.	.			trans	-95.5	106.8	172.7	176.6	56.5	0	0	0	109.9	Y99 F107 L132 C160 N163 L166 L170	Y99-L158 VanDerWaalsContact OH-CD1 3.24Å; Y99-L158 WeakPolarHBondContact OH-CD1 3.43Å; Y99-L158 WeakPolarHBondContact OH-CD2 3.35Å; F107-L158 HydrophobicContact CE2-CD2 4.19Å; F107-L158 HydrophobicContact CZ-CD2 4.49Å; L132-L158 HydrophobicContact CD2-CB 4.11Å; L132-L158 HydrophobicContact CD2-CD1 4.36Å; L158-C160 PolarHBondContact O-N 2.88Å; L158-N163 HydrophobicContact CD1-CB 3.98Å; L158-N163 WeakPolarHBondContact CD1-ND2 3.27Å; L158-N163 HydrophobicContact CG-CB 4.4Å; L158-L166 HydrophobicContact CD2-CD2 4.11Å; L158-L170 HydrophobicContact CD2-CD1 4.47Å
159	P	82.7	Confident	87.4	Confident	17 Å²	17	37.2 Å²	37.2	11%	0.11	20%	0.199	C	C	.	.			trans	-71.8	112.4	-179.4	26.8	-33.5	0	0	0	111.5	T131 I133 A157 N161 M162 N163	T131-P159 WeakPolarHBondContact O-CD 3.43Å; T131-P159 WeakPolarHBondContact O-CG 3.48Å; I133-P159 HydrophobicContact CD1-CB 4.24Å; I133-P159 HydrophobicContact CD1-CG 4.13Å; I133-P159 HydrophobicContact CG1-CG 4.34Å; A157-P159 VanDerWaalsContact O-CD 3.29Å; A157-P159 WeakPolarHBondContact O-CD 3.3Å; P159-N161 VanDerWaalsContact C-N 3.35Å; P159-N161 WeakPolarHBondContact CB-OD1 3.48Å; P159-N161 PolarHBondContact O-N 3.48Å; P159-M162 HydrophobicContact CB-CG 4.4Å; P159-M162 HydrophobicContact CG-CB 4.26Å; P159-M162 HydrophobicContact CG-CG 4.29Å; P159-M162 HydrophobicContact CG-SD 3.99Å; P159-M162 PolarHBondContact O-N 2.81Å; P159-N163 PolarHBondContact O-N 2.86Å; P159-N163 VanDerWaalsContact O-N 3.08Å; P159-N163 PolarHBondContact O-ND2 3.36Å
160	C	83.7	Confident	86.6	Confident	66 Å²	66	38.2 Å²	38.2	45%	0.446	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-22.6	-177.2	-69.1	0	0	0	0	114.7	L158 M162 N163 K164 C167	L158-C160 PolarHBondContact O-N 2.88Å; C160-M162 PolarHBondContact O-N 3.18Å; C160-N163 CarbonylContact O-C 3.53Å; C160-N163 PolarHBondContact O-N 2.9Å; C160-K164 WeakPolarHBondContact O-CA 3.08Å; C160-K164 PolarHBondContact O-N 2.86Å; C160-C167 WeakPolarHBondContact CA-SG 3.45Å; C160-C167 HydrophobicContact CB-CB 3.58Å; C160-C167 WeakPolarHBondContact CB-SG 3.36Å; C160-C167 WeakPolarHBondContact SG-CB 3.4Å; C160-C167 CovalentContact SG-SG 2.04Å; C160-C167 PolarHBondContact SG-SG 3.24Å
161	N	84.3	Confident	85.5	Confident	135 Å²	135	42.5 Å²	42.5	72%	0.722	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-35.3	169.6	62.9	-37	0	0	0	111.3	P159	P159-N161 VanDerWaalsContact C-N 3.35Å; P159-N161 WeakPolarHBondContact CB-OD1 3.48Å; P159-N161 PolarHBondContact O-N 3.48Å
162	M	88.1	Confident	84.7	Confident	89 Å²	89	49.7 Å²	49.7	44%	0.438	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-25.9	175.4	-59.8	-174.3	-178.3	0	0	112.6	K127 T131 P159 C160	K127-M162 WeakPolarHBondContact CE-O 3.36Å; K127-M162 PolarHBondContact NZ-O 3.03Å; T131-M162 HydrophobicContact CG2-CB 4.22Å; T131-M162 HydrophobicContact CG2-SD 3.86Å; P159-M162 HydrophobicContact CB-CG 4.4Å; P159-M162 HydrophobicContact CG-CB 4.26Å; P159-M162 HydrophobicContact CG-CG 4.29Å; P159-M162 HydrophobicContact CG-SD 3.99Å; P159-M162 PolarHBondContact O-N 2.81Å; C160-M162 PolarHBondContact O-N 3.18Å
163	N	91.1	Very high	83.4	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.027	28%	0.277	C	S	.	.	S	Bend	trans	-119.7	42.3	-172.7	-63.1	-77.6	0	0	0	112.8	S128 T131 L158 P159 C160 L165 L166 C167	S128-N163 WeakPolarHBondContact CA-OD1 3.25Å; S128-N163 WeakPolarHBondContact CB-OD1 3.29Å; S128-N163 PolarHBondContact N-OD1 2.83Å; T131-N163 PolarHBondContact OG1-ND2 3.36Å; T131-N163 PolarHBondContact OG1-OD1 2.9Å; L158-N163 HydrophobicContact CD1-CB 3.98Å; L158-N163 WeakPolarHBondContact CD1-ND2 3.27Å; L158-N163 HydrophobicContact CG-CB 4.4Å; P159-N163 PolarHBondContact O-N 2.86Å; P159-N163 VanDerWaalsContact O-N 3.08Å; P159-N163 PolarHBondContact O-ND2 3.36Å; C160-N163 CarbonylContact O-C 3.53Å; C160-N163 PolarHBondContact O-N 2.9Å; N163-L165 PolarHBondContact O-N 2.89Å; N163-L166 PolarHBondContact O-N 3.07Å; N163-C167 WeakPolarHBondContact O-CB 3.41Å; N163-C167 PolarHBondContact O-N 2.67Å
164	K	90.1	Very high	82.2	Confident	159 Å²	159	54.8 Å²	54.8	69%	0.691	29%	0.285	S	S	*	.	H	α-helix	trans	-53.3	-49.8	-168.1	-168.6	175.6	-177.1	179.4	0	113.8	C160 T168	C160-K164 WeakPolarHBondContact O-CA 3.08Å; C160-K164 PolarHBondContact O-N 2.86Å; K164-T168 VanDerWaalsContact O-CB 3.28Å; K164-T168 WeakPolarHBondContact O-CB 3.45Å; K164-T168 PolarHBondContact O-N 2.94Å; K164-T168 PolarHBondContact O-OG1 2.85Å
165	L	91.8	Very high	80.7	Confident	67 Å²	67	62.3 Å²	62.3	35%	0.351	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-49.9	-178.8	178.9	57.9	0	0	0	111.6	I116 L124 N163 C167 T168 L169	I116-L165 HydrophobicContact CD1-CD2 4.41Å; L124-L165 HydrophobicContact CD1-CD2 3.89Å; L124-L165 HydrophobicContact CD1-CG 4.44Å; L124-L165 HydrophobicContact CD2-CB 4.38Å; L124-L165 HydrophobicContact CD2-CD2 4.29Å; N163-L165 PolarHBondContact O-N 2.89Å; L165-C167 PolarHBondContact O-N 3.4Å; L165-T168 PolarHBondContact O-N 3.08Å; L165-L169 HydrophobicContact CD1-CD1 3.92Å; L165-L169 HydrophobicContact CD1-CG 4.1Å; L165-L169 HydrophobicContact CG-CD1 4.1Å; L165-L169 WeakPolarHBondContact O-CG 3.43Å; L165-L169 PolarHBondContact O-N 2.95Å
166	L	89.9	Confident	79.1	Confident	1 Å²	1	68 Å²	68	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-50	178.9	178.4	61.1	0	0	0	111.1	F107 L111 S128 L158 N163 T168 L169 L170	F107-L166 HydrophobicContact CB-CD1 4.34Å; F107-L166 HydrophobicContact CD2-CD1 4.34Å; F107-L166 HydrophobicContact CD2-CD2 4.04Å; F107-L166 HydrophobicContact CE2-CD2 4.26Å; F107-L166 HydrophobicContact CG-CD1 4.39Å; L111-L166 HydrophobicContact CD1-CD1 4.22Å; L111-L166 HydrophobicContact CD2-CD1 3.98Å; L111-L166 HydrophobicContact CG-CD1 4.16Å; S128-L166 VanDerWaalsContact CB-CD2 3.48Å; L158-L166 HydrophobicContact CD2-CD2 4.11Å; N163-L166 PolarHBondContact O-N 3.07Å; L166-T168 PolarHBondContact O-N 2.47Å; L166-L169 PolarHBondContact O-N 3.36Å; L166-L170 HydrophobicContact CD1-CD1 4.13Å; L166-L170 HydrophobicContact CD1-CG 4.3Å; L166-L170 HydrophobicContact CG-CD1 3.89Å; L166-L170 HydrophobicContact CG-CG 4.49Å; L166-L170 WeakPolarHBondContact O-CB 3.07Å; L166-L170 VanDerWaalsContact O-CG 3.24Å; L166-L170 WeakPolarHBondContact O-CG 3.23Å; L166-L170 PolarHBondContact O-N 3.39Å
167	C	87.5	Confident	77.2	Confident	11 Å²	11	76.1 Å²	76.1	7%	0.074	39%	0.388	C	S	.	.	H	α-helix	trans	-60.5	-43.3	176.4	-77	0	0	0	0	112.3	C160 N163 L165 L169 L170 M171	C160-C167 WeakPolarHBondContact CA-SG 3.45Å; C160-C167 HydrophobicContact CB-CB 3.58Å; C160-C167 WeakPolarHBondContact CB-SG 3.36Å; C160-C167 WeakPolarHBondContact SG-CB 3.4Å; C160-C167 CovalentContact SG-SG 2.04Å; C160-C167 PolarHBondContact SG-SG 3.24Å; N163-C167 WeakPolarHBondContact O-CB 3.41Å; N163-C167 PolarHBondContact O-N 2.67Å; L165-C167 PolarHBondContact O-N 3.4Å; C167-L169 VanDerWaalsContact C-N 3.29Å; C167-L169 PolarHBondContact O-N 2.85Å; C167-L170 PolarHBondContact O-N 3.22Å; C167-M171 WeakPolarHBondContact O-CB 3.23Å; C167-M171 WeakPolarHBondContact O-CG 3.28Å; C167-M171 PolarHBondContact O-N 3.33Å
168	T	87	Confident	75.1	Confident	61 Å²	61	82.4 Å²	82.4	37%	0.374	41%	0.408	S	S	.	.	H	α-helix	trans	-59.9	-42.3	178.7	-59.3	0	0	0	0	111.3	K164 L165 L166 M171 K172	K164-T168 VanDerWaalsContact O-CB 3.28Å; K164-T168 WeakPolarHBondContact O-CB 3.45Å; K164-T168 PolarHBondContact O-N 2.94Å; K164-T168 PolarHBondContact O-OG1 2.85Å; L165-T168 PolarHBondContact O-N 3.08Å; L166-T168 PolarHBondContact O-N 2.47Å; T168-M171 PolarHBondContact O-N 3.42Å; T168-K172 WeakPolarHBondContact O-CG 3.37Å; T168-K172 PolarHBondContact O-N 3.19Å
169	L	88.4	Confident	72.7	Confident	25 Å²	25	89.9 Å²	89.9	13%	0.131	44%	0.442	C	S	.	.	H	α-helix	trans	-70	-38.6	178.4	-68	175.3	0	0	0	112.3	I110 L111 A114 I116 L165 L166 C167 K172	I110-L169 HydrophobicContact CG2-CB 3.98Å; L111-L169 HydrophobicContact CD2-CD1 3.63Å; A114-L169 HydrophobicContact CB-CD1 3.79Å; A114-L169 HydrophobicContact CB-CD2 3.65Å; A114-L169 HydrophobicContact CB-CG 4.32Å; I116-L169 HydrophobicContact CG1-CD1 4.23Å; L165-L169 HydrophobicContact CD1-CD1 3.92Å; L165-L169 HydrophobicContact CD1-CG 4.1Å; L165-L169 HydrophobicContact CG-CD1 4.1Å; L165-L169 WeakPolarHBondContact O-CG 3.43Å; L165-L169 PolarHBondContact O-N 2.95Å; L166-L169 PolarHBondContact O-N 3.36Å; C167-L169 VanDerWaalsContact C-N 3.29Å; C167-L169 PolarHBondContact O-N 2.85Å; L169-K172 PolarHBondContact O-N 2.95Å
170	L	81.2	Confident	70.6	Confident	21 Å²	21	93.5 Å²	93.5	11%	0.11	45%	0.453	C	S	.	.	H	α-helix	trans	-59	-47.3	172.2	-71.8	166.4	0	0	0	111	F107 I110 L158 L166 C167 K172 L173	F107-L170 HydrophobicContact CD1-CD1 4.32Å; F107-L170 HydrophobicContact CD1-CD2 3.51Å; F107-L170 HydrophobicContact CE1-CD1 3.84Å; F107-L170 HydrophobicContact CE1-CD2 3.47Å; F107-L170 VanDerWaalsContact CE1-CD2 3.47Å; F107-L170 HydrophobicContact CE1-CG 4.34Å; F107-L170 HydrophobicContact CE2-CD1 4.34Å; F107-L170 HydrophobicContact CG-CD2 4.39Å; F107-L170 HydrophobicContact CZ-CD1 3.86Å; F107-L170 HydrophobicContact CZ-CD2 4.32Å; I110-L170 HydrophobicContact CD1-CD2 3.44Å; I110-L170 VanDerWaalsContact CD1-CD2 3.44Å; L158-L170 HydrophobicContact CD2-CD1 4.47Å; L166-L170 HydrophobicContact CD1-CD1 4.13Å; L166-L170 HydrophobicContact CD1-CG 4.3Å; L166-L170 HydrophobicContact CG-CD1 3.89Å; L166-L170 HydrophobicContact CG-CG 4.49Å; L166-L170 WeakPolarHBondContact O-CB 3.07Å; L166-L170 VanDerWaalsContact O-CG 3.24Å; L166-L170 WeakPolarHBondContact O-CG 3.23Å; L166-L170 PolarHBondContact O-N 3.39Å; C167-L170 PolarHBondContact O-N 3.22Å; L170-K172 PolarHBondContact O-N 2.89Å; L170-L173 PolarHBondContact O-N 2.74Å
171	M	73.5	Confident	68.4	Low	90 Å²	90	93.8 Å²	93.8	44%	0.443	45%	0.45	S	S	.	.	H	α-helix	trans	-66	-34.4	-179.5	-69.4	-69.3	-70.5	0	0	113.5	C167 T168 L173 T174 W180	C167-M171 WeakPolarHBondContact O-CB 3.23Å; C167-M171 WeakPolarHBondContact O-CG 3.28Å; C167-M171 PolarHBondContact O-N 3.33Å; T168-M171 PolarHBondContact O-N 3.42Å; M171-L173 VanDerWaalsContact C-N 3.26Å; M171-L173 PolarHBondContact O-N 3.4Å; M171-T174 PolarHBondContact O-N 3.25Å; M171-T174 PolarHBondContact O-OG1 2.79Å; M171-W180 HydrophobicContact CE-CG 4.29Å; M171-W180 HydrophobicContact SD-CB 3.58Å; M171-W180 VanDerWaalsContact SD-CB 3.58Å; M171-W180 HydrophobicContact SD-CG 3.51Å; M171-W180 VanDerWaalsContact SD-CG 3.51Å
172	K	75.4	Confident	66.3	Low	151 Å²	151	90.2 Å²	90.2	66%	0.657	43%	0.43	S	S	*	.	H	α-helix	trans	-65.7	-30.2	178.8	-82.1	-178	177.6	-174.8	0	113	T168 L169 L170 T174	T168-K172 WeakPolarHBondContact O-CG 3.37Å; T168-K172 PolarHBondContact O-N 3.19Å; L169-K172 PolarHBondContact O-N 2.95Å; L170-K172 PolarHBondContact O-N 2.89Å; K172-T174 VanDerWaalsContact C-N 3.31Å
173	L	66	Low	64.4	Low	84 Å²	84	89.2 Å²	89.2	44%	0.44	43%	0.425	S	S	.	.	H	α-helix	trans	-78.7	-20.4	-178.7	-80.8	164.1	0	0	0	113.6	I110 L170 M171	I110-L173 HydrophobicContact CB-CD1 3.74Å; I110-L173 HydrophobicContact CD1-CD1 3.5Å; I110-L173 VanDerWaalsContact CD1-CD1 3.5Å; I110-L173 HydrophobicContact CG1-CD1 3.23Å; I110-L173 HydrophobicContact CG2-CD1 3.39Å; L170-L173 PolarHBondContact O-N 2.74Å; M171-L173 VanDerWaalsContact C-N 3.26Å; M171-L173 PolarHBondContact O-N 3.4Å
174	T	58.9	Low	62	Low	31 Å²	31	94 Å²	94	19%	0.19	45%	0.449	C	S	.	.	H	α-helix	trans	-92	-9.4	-171.8	58.5	0	0	0	0	113.5	M171 K172 E176 W180	M171-T174 PolarHBondContact O-N 3.25Å; M171-T174 PolarHBondContact O-OG1 2.79Å; K172-T174 VanDerWaalsContact C-N 3.31Å; T174-E176 PolarHBondContact O-N 3.23Å; T174-W180 VanDerWaalsContact CB-CH2 3.44Å; T174-W180 HydrophobicContact CG2-CD2 3.82Å; T174-W180 HydrophobicContact CG2-CE3 3.68Å; T174-W180 HydrophobicContact CG2-CH2 3.51Å; T174-W180 HydrophobicContact CG2-CZ2 3.7Å; T174-W180 HydrophobicContact CG2-CZ3 3.49Å; T174-W180 VanDerWaalsContact CG2-CZ3 3.49Å; T174-W180 WeakPolarHBondContact OG1-CZ2 3.43Å; T174-W180 PolarHBondContact OG1-NE1 3.41Å
175	N	51.5	Low	59.9	Low	158 Å²	158	89 Å²	89	85%	0.845	43%	0.434	S	S	*	.			trans	49.3	6.1	174.1	-129.1	16	0	0	0	117.1
176	E	46	Very low	57.7	Low	130 Å²	130	89.7 Å²	89.7	61%	0.607	44%	0.438	S	S	*	.			trans	-107.4	116.8	179.3	-64.3	-178.8	165.9	0	0	110.1	T174 K178 W180	T174-E176 PolarHBondContact O-N 3.23Å; E176-K178 PolarHBondContact O-N 2.82Å; E176-W180 HydrophobicContact CB-CZ2 3.91Å; E176-W180 HydrophobicContact CG-CZ2 4.32Å; E176-W180 PolarHBondContact O-NE1 3.29Å
177	K	42.1	Very low	56.1	Low	217 Å²	217	94 Å²	94	94%	0.943	46%	0.461	S	S	*	.			trans	-62.9	16.4	173.3	-84.5	-177.5	172.4	179	0	114.6
178	K	34.7	Very low	54.8	Low	172 Å²	172	95.7 Å²	95.7	75%	0.748	47%	0.473	S	S	*	.	S	Bend	trans	-122	144.4	-178.6	-68.2	-168.8	177.7	-177.8	0	111.1	E176 W180	E176-K178 PolarHBondContact O-N 2.82Å; K178-W180 PolarHBondContact O-N 2.83Å; K178-W180 PolarHBondContact O-NE1 3.33Å
179	E	32.2	Very low	53.7	Low	198 Å²	198	96.5 Å²	96.5	93%	0.925	47%	0.47	S	S	*	.			trans	-20.6	107.5	-179.8	-68.8	174.2	132	0	0	114.2	I181	E179-I181 PolarHBondContact O-N 3.17Å
180	W	39.9	Very low	52.7	Low	92 Å²	92	101.7 Å²	101.7	35%	0.348	49%	0.491	S	S	.	.			trans	-84.3	115	173	-79.2	79.4	0	0	0	111	M171 T174 E176 K178	M171-W180 HydrophobicContact CE-CG 4.29Å; M171-W180 HydrophobicContact SD-CB 3.58Å; M171-W180 VanDerWaalsContact SD-CB 3.58Å; M171-W180 HydrophobicContact SD-CG 3.51Å; M171-W180 VanDerWaalsContact SD-CG 3.51Å; T174-W180 VanDerWaalsContact CB-CH2 3.44Å; T174-W180 HydrophobicContact CG2-CD2 3.82Å; T174-W180 HydrophobicContact CG2-CE3 3.68Å; T174-W180 HydrophobicContact CG2-CH2 3.51Å; T174-W180 HydrophobicContact CG2-CZ2 3.7Å; T174-W180 HydrophobicContact CG2-CZ3 3.49Å; T174-W180 VanDerWaalsContact CG2-CZ3 3.49Å; T174-W180 WeakPolarHBondContact OG1-CZ2 3.43Å; T174-W180 PolarHBondContact OG1-NE1 3.41Å; E176-W180 HydrophobicContact CB-CZ2 3.91Å; E176-W180 HydrophobicContact CG-CZ2 4.32Å; E176-W180 PolarHBondContact O-NE1 3.29Å; K178-W180 PolarHBondContact O-N 2.83Å; K178-W180 PolarHBondContact O-NE1 3.33Å
181	I	35.9	Very low	52.1	Low	72 Å²	72	107.2 Å²	107.2	37%	0.369	51%	0.51	S	S	.	.			trans	-91.9	133.6	135.4	-58.3	171.3	0	0	0	105.2	E179 E183 W189	E179-I181 PolarHBondContact O-N 3.17Å; I181-E183 HydrophobicContact CB-CG 3.71Å; I181-E183 HydrophobicContact CG2-CG 3.45Å; I181-E183 VanDerWaalsContact CG2-CG 3.45Å; I181-E183 PolarHBondContact O-N 2.85Å; I181-W189 HydrophobicContact CD1-CD2 4.41Å; I181-W189 HydrophobicContact CD1-CG 4.37Å; I181-W189 HydrophobicContact CD1-CZ2 4.42Å
182	L	42.1	Very low	51.9	Low	60 Å²	60	103 Å²	103	31%	0.314	49%	0.489	S	S	.	.			trans	-70.7	77	169.4	-161.9	92.8	0	0	0	108.6	I103 F107 L184	I103-L182 HydrophobicContact CD1-CD2 4.09Å; F107-L182 HydrophobicContact CE1-CD2 3.81Å; F107-L182 HydrophobicContact CZ-CD2 4.29Å; L182-L184 PolarHBondContact O-N 3.28Å
183	E	47.5	Very low	51.8	Low	69 Å²	69	97.8 Å²	97.8	32%	0.322	47%	0.471	S	S	.	.			trans	-86.9	96.9	-173.9	-79.2	-177.6	144	0	0	111.9	I181 S185 L186	I181-E183 HydrophobicContact CB-CG 3.71Å; I181-E183 HydrophobicContact CG2-CG 3.45Å; I181-E183 VanDerWaalsContact CG2-CG 3.45Å; I181-E183 PolarHBondContact O-N 2.85Å; E183-S185 PolarHBondContact O-N 3.36Å; E183-L186 WeakPolarHBondContact OE2-CD1 3.36Å; E183-L186 WeakPolarHBondContact OE2-CG 3.46Å
184	L	40.9	Very low	52.3	Low	104 Å²	104	95.3 Å²	95.3	55%	0.545	47%	0.465	S	S	.	.	S	Bend	trans	-77	-6.6	163.9	-78.9	163.3	0	0	0	113.2	I103 K106 L182	I103-L184 HydrophobicContact CD1-CD1 3.5Å; I103-L184 VanDerWaalsContact CD1-CD1 3.5Å; K106-L184 VanDerWaalsContact NZ-CD1 3.34Å; L182-L184 PolarHBondContact O-N 3.28Å
185	S	45.3	Very low	52.9	Low	54 Å²	54	95.7 Å²	95.7	38%	0.378	47%	0.465	S	S	.	.			trans	-162.7	88.6	172.1	49.3	0	0	0	0	109.7	E183 D187 S188 W189	E183-S185 PolarHBondContact O-N 3.36Å; S185-D187 PolarHBondContact O-N 3.41Å; S185-S188 VanDerWaalsContact CB-OG 3.23Å; S185-S188 WeakPolarHBondContact CB-OG 3.32Å; S185-S188 WeakPolarHBondContact O-CB 3.42Å; S185-S188 PolarHBondContact O-N 3.03Å; S185-S188 WeakPolarHBondContact OG-CB 3.41Å; S185-S188 PolarHBondContact OG-OG 2.86Å; S185-W189 PolarHBondContact O-N 3.17Å
186	L	44.8	Very low	53.9	Low	83 Å²	83	90.4 Å²	90.4	44%	0.435	44%	0.436	S	S	.	.	H	α-helix	trans	-47.6	-31.7	171.4	-148	140.5	0	0	0	111.5	E183 K190	E183-L186 WeakPolarHBondContact OE2-CD1 3.36Å; E183-L186 WeakPolarHBondContact OE2-CG 3.46Å; L186-K190 HydrophobicContact CD2-CD 3.7Å; L186-K190 HydrophobicContact CD2-CG 4.34Å; L186-K190 VanDerWaalsContact O-CB 3.29Å; L186-K190 WeakPolarHBondContact O-CB 3.28Å; L186-K190 VanDerWaalsContact O-CG 3.31Å; L186-K190 WeakPolarHBondContact O-CG 3.42Å; L186-K190 PolarHBondContact O-N 2.9Å
187	D	58.3	Low	55.2	Low	90 Å²	90	91.3 Å²	91.3	48%	0.481	44%	0.438	S	S	.	.	H	α-helix	trans	-63	-42.2	172.1	-111.8	33.7	0	0	0	114	S185 R191	S185-D187 PolarHBondContact O-N 3.41Å; D187-R191 WeakPolarHBondContact O-CB 3.27Å; D187-R191 WeakPolarHBondContact O-CD 3.5Å; D187-R191 WeakPolarHBondContact O-CG 3.44Å; D187-R191 PolarHBondContact O-N 2.76Å; D187-R191 IonicContact OD2-CZ 2.91Å; D187-R191 IonicContact OD2-NE 3.19Å; D187-R191 IonicContact OD2-NH2 2.85Å; D187-R191 PolarHBondContact OD2-NH2 3.38Å
188	S	59.9	Low	56.5	Low	48 Å²	48	84.8 Å²	84.8	34%	0.336	42%	0.416	S	S	.	.	H	α-helix	trans	-71.6	-41.4	-179.4	-52.2	0	0	0	0	111.3	S185 R191 M192	S185-S188 VanDerWaalsContact CB-OG 3.23Å; S185-S188 WeakPolarHBondContact CB-OG 3.32Å; S185-S188 WeakPolarHBondContact O-CB 3.42Å; S185-S188 PolarHBondContact O-N 3.03Å; S185-S188 WeakPolarHBondContact OG-CB 3.41Å; S185-S188 PolarHBondContact OG-OG 2.86Å; S188-R191 PolarHBondContact O-N 2.81Å; S188-M192 VanDerWaalsContact O-CB 3.26Å; S188-M192 WeakPolarHBondContact O-CB 3.49Å; S188-M192 PolarHBondContact O-N 3.42Å
189	W	62.6	Low	57.9	Low	78 Å²	78	77 Å²	77	30%	0.295	38%	0.383	S	S	.	.	H	α-helix	trans	-67.6	-47	176.8	-177.2	-107.5	0	0	0	111.4	Y155 I181 S185 R191 M192 V193	Y155-W189 AromaticContact CD1-CE3 3.93Å; Y155-W189 HydrophobicContact CD1-CE3 3.93Å; Y155-W189 AromaticContact CD1-CZ3 3.8Å; Y155-W189 HydrophobicContact CD1-CZ3 3.8Å; Y155-W189 AromaticContact CE1-CE3 3.99Å; Y155-W189 HydrophobicContact CE1-CE3 3.99Å; Y155-W189 HydrophobicContact CE1-CZ3 4.32Å; Y155-W189 HydrophobicContact CG-CZ3 4.31Å; I181-W189 HydrophobicContact CD1-CD2 4.41Å; I181-W189 HydrophobicContact CD1-CG 4.37Å; I181-W189 HydrophobicContact CD1-CZ2 4.42Å; S185-W189 PolarHBondContact O-N 3.17Å; W189-R191 VanDerWaalsContact C-N 3.34Å; W189-R191 PolarHBondContact O-N 2.95Å; W189-M192 HydrophobicContact CD2-CE 3.64Å; W189-M192 HydrophobicContact CE3-CE 3.24Å; W189-M192 HydrophobicContact CE3-SD 3.86Å; W189-M192 HydrophobicContact CH2-CE 3.42Å; W189-M192 VanDerWaalsContact CH2-CE 3.42Å; W189-M192 HydrophobicContact CH2-SD 4.4Å; W189-M192 HydrophobicContact CZ2-CE 3.79Å; W189-M192 HydrophobicContact CZ3-CE 3.13Å; W189-M192 HydrophobicContact CZ3-SD 3.68Å; W189-M192 PolarHBondContact O-N 3.24Å; W189-V193 HydrophobicContact CD2-CG2 4.23Å; W189-V193 HydrophobicContact CG-CG2 4.4Å; W189-V193 HydrophobicContact CZ2-CG2 4.12Å; W189-V193 WeakPolarHBondContact O-CG2 3.45Å; W189-V193 PolarHBondContact O-N 3.29Å
190	K	67.9	Low	59.4	Low	133 Å²	133	71.3 Å²	71.3	58%	0.578	36%	0.362	S	S	*	.	H	α-helix	trans	-60.1	-42.3	174.6	-77	-179.4	176.1	168.1	0	112.2	L186 V193 G194	L186-K190 HydrophobicContact CD2-CD 3.7Å; L186-K190 HydrophobicContact CD2-CG 4.34Å; L186-K190 VanDerWaalsContact O-CB 3.29Å; L186-K190 WeakPolarHBondContact O-CB 3.28Å; L186-K190 VanDerWaalsContact O-CG 3.31Å; L186-K190 WeakPolarHBondContact O-CG 3.42Å; L186-K190 PolarHBondContact O-N 2.9Å; K190-V193 PolarHBondContact O-N 2.72Å; K190-G194 PolarHBondContact O-N 3.16Å
191	R	68.8	Low	60.7	Low	137 Å²	137	73.8 Å²	73.8	52%	0.517	38%	0.375	S	S	.	.	H	α-helix	trans	-62	-44.6	174	-76.7	170	-154.2	-119.6	5.9	111.2	D187 S188 W189 G194 Q195	D187-R191 WeakPolarHBondContact O-CB 3.27Å; D187-R191 WeakPolarHBondContact O-CD 3.5Å; D187-R191 WeakPolarHBondContact O-CG 3.44Å; D187-R191 PolarHBondContact O-N 2.76Å; D187-R191 IonicContact OD2-CZ 2.91Å; D187-R191 IonicContact OD2-NE 3.19Å; D187-R191 IonicContact OD2-NH2 2.85Å; D187-R191 PolarHBondContact OD2-NH2 3.38Å; S188-R191 PolarHBondContact O-N 2.81Å; W189-R191 VanDerWaalsContact C-N 3.34Å; W189-R191 PolarHBondContact O-N 2.95Å; R191-G194 PolarHBondContact O-N 2.93Å; R191-Q195 WeakPolarHBondContact O-CB 3.4Å; R191-Q195 WeakPolarHBondContact O-CG 3.45Å; R191-Q195 PolarHBondContact O-N 3.06Å
192	M	70.2	Confident	61.5	Low	1 Å²	1	79.4 Å²	79.4	1%	0.005	40%	0.4	C	S	.	.	H	α-helix	trans	-61.5	-51	176.6	-178.1	-145.4	63.2	0	0	110.9	I136 M140 Y155 S188 W189 G194 Q195 M196	I136-M192 HydrophobicContact CG2-SD 4.27Å; M140-M192 HydrophobicContact CE-CG 4.47Å; Y155-M192 HydrophobicContact CD1-SD 3.74Å; Y155-M192 HydrophobicContact CD2-CG 4.01Å; Y155-M192 HydrophobicContact CD2-SD 3.2Å; Y155-M192 WeakPolarHBondContact CD2-SD 3.47Å; Y155-M192 HydrophobicContact CE1-SD 3.73Å; Y155-M192 HydrophobicContact CE2-CB 4.03Å; Y155-M192 HydrophobicContact CE2-CG 3.4Å; Y155-M192 HydrophobicContact CE2-SD 3.14Å; Y155-M192 WeakPolarHBondContact CE2-SD 3.3Å; Y155-M192 HydrophobicContact CG-SD 3.48Å; S188-M192 VanDerWaalsContact O-CB 3.26Å; S188-M192 WeakPolarHBondContact O-CB 3.49Å; S188-M192 PolarHBondContact O-N 3.42Å; W189-M192 HydrophobicContact CD2-CE 3.64Å; W189-M192 HydrophobicContact CE3-CE 3.24Å; W189-M192 HydrophobicContact CE3-SD 3.86Å; W189-M192 HydrophobicContact CH2-CE 3.42Å; W189-M192 VanDerWaalsContact CH2-CE 3.42Å; W189-M192 HydrophobicContact CH2-SD 4.4Å; W189-M192 HydrophobicContact CZ2-CE 3.79Å; W189-M192 HydrophobicContact CZ3-CE 3.13Å; W189-M192 HydrophobicContact CZ3-SD 3.68Å; W189-M192 PolarHBondContact O-N 3.24Å; M192-G194 VanDerWaalsContact C-N 3.26Å; M192-G194 PolarHBondContact O-N 3.37Å; M192-Q195 CarbonylContact O-C 3.5Å; M192-Q195 PolarHBondContact O-N 2.81Å; M192-Q195 VanDerWaalsContact O-N 3.14Å; M192-M196 HydrophobicContact CE-SD 3.67Å; M192-M196 HydrophobicContact CG-CG 4.34Å; M192-M196 HydrophobicContact CG-SD 4.12Å; M192-M196 WeakPolarHBondContact O-CB 3.16Å; M192-M196 VanDerWaalsContact O-CG 3.31Å; M192-M196 WeakPolarHBondContact O-CG 3.36Å; M192-M196 PolarHBondContact O-N 2.03Å; M192-M196 HydrophobicContact SD-SD 3.97Å
193	V	73	Confident	62	Low	43 Å²	43	81.3 Å²	81.3	26%	0.261	42%	0.418	S	S	.	.	H	α-helix	trans	-58.9	-40.9	176.7	172.3	0	0	0	0	110.8	W189 K190 M196 K197	W189-V193 HydrophobicContact CD2-CG2 4.23Å; W189-V193 HydrophobicContact CG-CG2 4.4Å; W189-V193 HydrophobicContact CZ2-CG2 4.12Å; W189-V193 WeakPolarHBondContact O-CG2 3.45Å; W189-V193 PolarHBondContact O-N 3.29Å; K190-V193 PolarHBondContact O-N 2.72Å; V193-M196 PolarHBondContact O-N 3.1Å; V193-K197 HydrophobicContact CG1-CD 4.34Å; V193-K197 WeakPolarHBondContact O-CB 3.12Å; V193-K197 WeakPolarHBondContact O-CG 3.02Å; V193-K197 PolarHBondContact O-N 3.38Å
194	G	76.5	Confident	62.4	Low	32 Å²	32	81.7 Å²	81.7	33%	0.33	42%	0.422	S	S	.	.	H	α-helix	trans	-59.5	-48.9	173.8	0	0	0	0	0	112.3	K190 R191 M192 K197 V198	K190-G194 PolarHBondContact O-N 3.16Å; R191-G194 PolarHBondContact O-N 2.93Å; M192-G194 VanDerWaalsContact C-N 3.26Å; M192-G194 PolarHBondContact O-N 3.37Å; G194-K197 PolarHBondContact O-N 3.49Å; G194-V198 WeakPolarHBondContact O-CG2 3.27Å; G194-V198 PolarHBondContact O-N 2.77Å
195	Q	70.9	Confident	63.2	Low	38 Å²	38	78.6 Å²	78.6	18%	0.178	40%	0.404	C	S	.	.	H	α-helix	trans	-66.9	-37.6	177.7	-74.8	-167.9	-16.6	0	0	112.7	P141 Y142 Y153 R191 M192 V198 A199	P141-Q195 VanDerWaalsContact O-CD 3.22Å; P141-Q195 PolarHBondContact O-NE2 3.23Å; P141-Q195 PolarHBondContact O-OE1 3.38Å; P141-Q195 VanDerWaalsContact O-OE1 3.14Å; Y142-Q195 VanDerWaalsContact CD2-OE1 3.22Å; Y153-Q195 PolarHBondContact OH-OE1 2.75Å; R191-Q195 WeakPolarHBondContact O-CB 3.4Å; R191-Q195 WeakPolarHBondContact O-CG 3.45Å; R191-Q195 PolarHBondContact O-N 3.06Å; M192-Q195 CarbonylContact O-C 3.5Å; M192-Q195 PolarHBondContact O-N 2.81Å; M192-Q195 VanDerWaalsContact O-N 3.14Å; Q195-V198 PolarHBondContact O-N 2.68Å; Q195-A199 VanDerWaalsContact O-CB 3.28Å; Q195-A199 WeakPolarHBondContact O-CB 3.25Å; Q195-A199 PolarHBondContact O-N 2.55Å
196	M	71.8	Confident	64	Low	48 Å²	48	81.1 Å²	81.1	24%	0.236	42%	0.42	C	S	.	.	H	α-helix	trans	-60	-49.2	171.9	-73.6	179.6	72.7	0	0	110.6	I136 M140 M192 V193 V198 A199 T200 F212	I136-M196 HydrophobicContact CD1-CE 3.95Å; I136-M196 HydrophobicContact CD1-CG 4.42Å; I136-M196 HydrophobicContact CD1-SD 4.35Å; M140-M196 HydrophobicContact CE-CG 3.51Å; M140-M196 HydrophobicContact CE-SD 4.27Å; M140-M196 HydrophobicContact SD-CG 4.41Å; M192-M196 HydrophobicContact CE-SD 3.67Å; M192-M196 HydrophobicContact CG-CG 4.34Å; M192-M196 HydrophobicContact CG-SD 4.12Å; M192-M196 WeakPolarHBondContact O-CB 3.16Å; M192-M196 VanDerWaalsContact O-CG 3.31Å; M192-M196 WeakPolarHBondContact O-CG 3.36Å; M192-M196 PolarHBondContact O-N 2.03Å; M192-M196 HydrophobicContact SD-SD 3.97Å; V193-M196 PolarHBondContact O-N 3.1Å; M196-V198 VanDerWaalsContact C-N 3.28Å; M196-V198 PolarHBondContact O-N 2.95Å; M196-A199 PolarHBondContact O-N 3.14Å; M196-A199 VanDerWaalsContact O-N 3.17Å; M196-T200 WeakPolarHBondContact O-CB 3.31Å; M196-T200 WeakPolarHBondContact O-CG2 3.36Å; M196-T200 PolarHBondContact O-N 2.73Å; M196-T200 PolarHBondContact O-OG1 3.04Å; M196-F212 HydrophobicContact CB-CE1 4.44Å; M196-F212 HydrophobicContact CB-CZ 4.49Å; M196-F212 HydrophobicContact CE-CE1 4.49Å; M196-F212 HydrophobicContact CG-CE1 4.09Å; M196-F212 HydrophobicContact CG-CZ 4.11Å
197	K	74.2	Confident	65	Low	149 Å²	149	79.8 Å²	79.8	65%	0.648	43%	0.425	S	S	*	.	H	α-helix	trans	-58.5	-38.7	176.5	-76	177.7	179.4	-176.8	0	112.6	V193 G194 K201	V193-K197 HydrophobicContact CG1-CD 4.34Å; V193-K197 WeakPolarHBondContact O-CB 3.12Å; V193-K197 WeakPolarHBondContact O-CG 3.02Å; V193-K197 PolarHBondContact O-N 3.38Å; G194-K197 PolarHBondContact O-N 3.49Å; K197-K201 PolarHBondContact O-N 3.03Å
198	V	69.4	Low	66	Low	79 Å²	79	78 Å²	78	48%	0.479	42%	0.415	S	S	.	.	H	α-helix	trans	-68	-45.3	175.9	172.3	0	0	0	0	110.8	G194 Q195 M196 K201 L204	G194-V198 WeakPolarHBondContact O-CG2 3.27Å; G194-V198 PolarHBondContact O-N 2.77Å; Q195-V198 PolarHBondContact O-N 2.68Å; M196-V198 VanDerWaalsContact C-N 3.28Å; M196-V198 PolarHBondContact O-N 2.95Å; V198-K201 WeakPolarHBondContact O-CB 3.19Å; V198-K201 PolarHBondContact O-N 2.98Å; V198-L204 HydrophobicContact CG1-CD1 3.96Å; V198-L204 WeakPolarHBondContact O-CD1 3.5Å
199	A	63.3	Low	67.3	Low	8 Å²	8	76.8 Å²	76.8	7%	0.066	40%	0.402	C	S	.	.	H	α-helix	trans	-69.6	-35.5	-178	0	0	0	0	0	113.3	P141 Q195 M196 K201 F212	P141-A199 HydrophobicContact CG-CB 3.73Å; Q195-A199 VanDerWaalsContact O-CB 3.28Å; Q195-A199 WeakPolarHBondContact O-CB 3.25Å; Q195-A199 PolarHBondContact O-N 2.55Å; M196-A199 PolarHBondContact O-N 3.14Å; M196-A199 VanDerWaalsContact O-N 3.17Å; A199-K201 VanDerWaalsContact C-N 3.32Å; A199-F212 HydrophobicContact CB-CD2 3.95Å; A199-F212 HydrophobicContact CB-CE1 4.37Å; A199-F212 HydrophobicContact CB-CE2 3.23Å; A199-F212 HydrophobicContact CB-CZ 3.47Å; A199-F212 VanDerWaalsContact CB-CZ 3.47Å
200	T	64.7	Low	68.5	Low	80 Å²	80	73.3 Å²	73.3	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-83	-8.1	178.7	57.5	0	0	0	0	113.4	M196 H202 F212	M196-T200 WeakPolarHBondContact O-CB 3.31Å; M196-T200 WeakPolarHBondContact O-CG2 3.36Å; M196-T200 PolarHBondContact O-N 2.73Å; M196-T200 PolarHBondContact O-OG1 3.04Å; T200-H202 PolarHBondContact O-N 3.15Å; T200-F212 HydrophobicContact CG2-CD1 4.16Å; T200-F212 HydrophobicContact CG2-CE1 4.09Å
201	K	66.9	Low	69.4	Low	143 Å²	143	67.8 Å²	67.8	62%	0.622	37%	0.369	S	S	*	.	S	Bend	trans	-57.3	111.8	167.5	-145.8	178.5	-173	-177	0	106.6	K197 V198 A199 S203 L204	K197-K201 PolarHBondContact O-N 3.03Å; V198-K201 WeakPolarHBondContact O-CB 3.19Å; V198-K201 PolarHBondContact O-N 2.98Å; A199-K201 VanDerWaalsContact C-N 3.32Å; K201-S203 PolarHBondContact O-N 3.2Å; K201-L204 HydrophobicContact CB-CD1 4.31Å; K201-L204 PolarHBondContact O-N 2.77Å
202	H	53.6	Low	70	Confident	190 Å²	190	63.4 Å²	63.4	88%	0.88	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-11.1	-161.3	-84.2	-56.7	0	0	0	117.2	T200	T200-H202 PolarHBondContact O-N 3.15Å
203	S	51.6	Low	70.5	Confident	100 Å²	100	64.9 Å²	64.9	70%	0.699	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-11.3	-175.3	57.4	0	0	0	0	115.7	K201	K201-S203 PolarHBondContact O-N 3.2Å
204	L	55.2	Low	70.4	Confident	77 Å²	77	71 Å²	71	40%	0.403	39%	0.39	S	S	.	.	S	Bend	trans	-82.9	-55.4	-170	-79.4	167.1	0	0	0	112.1	V198 K201	V198-L204 HydrophobicContact CG1-CD1 3.96Å; V198-L204 WeakPolarHBondContact O-CD1 3.5Å; K201-L204 HydrophobicContact CB-CD1 4.31Å; K201-L204 PolarHBondContact O-N 2.77Å
205	F	58.9	Low	69.9	Low	39 Å²	39	76.9 Å²	76.9	17%	0.171	41%	0.406	C	S	.	.			trans	-148.7	48.1	-171.6	-51.9	-61.9	0	0	0	114.9	P141 G207 Q208 Y209	P141-F205 HydrophobicContact CB-CD2 4.47Å; P141-F205 HydrophobicContact CB-CE2 4.43Å; F205-G207 PolarHBondContact O-N 3.43Å; F205-Q208 HydrophobicContact CB-CB 4.07Å; F205-Q208 PolarHBondContact O-N 2.9Å; F205-Y209 HydrophobicContact CB-CD2 3.68Å; F205-Y209 HydrophobicContact CB-CE2 3.79Å; F205-Y209 HydrophobicContact CD1-CE2 4.15Å; F205-Y209 HydrophobicContact CD2-CD2 4.24Å; F205-Y209 AromaticContact CD2-CE2 3.71Å; F205-Y209 HydrophobicContact CD2-CE2 3.71Å; F205-Y209 HydrophobicContact CE2-CE2 4.37Å; F205-Y209 HydrophobicContact CG-CD2 4.01Å; F205-Y209 AromaticContact CG-CE2 3.58Å; F205-Y209 HydrophobicContact CG-CE2 3.58Å
206	P	61.1	Low	69.3	Low	108 Å²	108	84.6 Å²	84.6	70%	0.701	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	116.1	-176.4	23.9	-31.5	0	0	0	111.3	Q208	P206-Q208 PolarHBondContact O-N 2.97Å
207	G	67.4	Low	68.2	Low	54 Å²	54	87 Å²	87	56%	0.557	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	5.1	177.4	0	0	0	0	0	116.1	F205	F205-G207 PolarHBondContact O-N 3.43Å
208	Q	78.3	Confident	66.8	Low	54 Å²	54	85.6 Å²	85.6	25%	0.252	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-69.5	170	-179.2	177.2	-8.7	0	0	107.6	E70 F205 P206 S210	E70-Q208 HydrophobicContact CB-CG 4.42Å; E70-Q208 PolarHBondContact O-NE2 3.2Å; E70-Q208 WeakPolarHBondContact OE2-CG 3.33Å; F205-Q208 HydrophobicContact CB-CB 4.07Å; F205-Q208 PolarHBondContact O-N 2.9Å; P206-Q208 PolarHBondContact O-N 2.97Å; Q208-S210 PolarHBondContact O-N 2.95Å
209	Y	86.5	Confident	65.5	Low	21 Å²	21	87.9 Å²	87.9	8%	0.082	48%	0.481	C	S	.	.	S	Bend	trans	-68.1	124.2	-175.1	-70.8	-75.3	0	0	0	113	E70 S139 M140 P141 F205 A211 F212 C213	E70-Y209 HydrophobicContact CB-CD1 4.46Å; E70-Y209 HydrophobicContact CB-CE1 4.13Å; E70-Y209 HydrophobicContact CG-CD1 3.71Å; E70-Y209 HydrophobicContact CG-CE1 3.77Å; E70-Y209 VanDerWaalsContact OE2-CA 3.25Å; E70-Y209 WeakPolarHBondContact OE2-CA 3.21Å; E70-Y209 PolarHBondContact OE2-N 3.09Å; S139-Y209 WeakPolarHBondContact O-CB 3.2Å; M140-Y209 WeakPolarHBondContact O-CE1 3.45Å; P141-Y209 HydrophobicContact CB-CD2 4.27Å; P141-Y209 HydrophobicContact CB-CE1 4.18Å; P141-Y209 HydrophobicContact CB-CE2 3.61Å; P141-Y209 HydrophobicContact CG-CD2 4.16Å; P141-Y209 HydrophobicContact CG-CE2 3.98Å; P141-Y209 VanDerWaalsContact N-CE1 3.25Å; F205-Y209 HydrophobicContact CB-CD2 3.68Å; F205-Y209 HydrophobicContact CB-CE2 3.79Å; F205-Y209 HydrophobicContact CD1-CE2 4.15Å; F205-Y209 HydrophobicContact CD2-CD2 4.24Å; F205-Y209 AromaticContact CD2-CE2 3.71Å; F205-Y209 HydrophobicContact CD2-CE2 3.71Å; F205-Y209 HydrophobicContact CE2-CE2 4.37Å; F205-Y209 HydrophobicContact CG-CD2 4.01Å; F205-Y209 AromaticContact CG-CE2 3.58Å; F205-Y209 HydrophobicContact CG-CE2 3.58Å; Y209-A211 PolarHBondContact O-N 3.12Å; Y209-A211 VanDerWaalsContact O-N 3.08Å; Y209-F212 PolarHBondContact O-N 3.02Å; Y209-C213 PolarHBondContact O-N 3.16Å
210	S	88.9	Confident	64.1	Low	6 Å²	6	92.6 Å²	92.6	4%	0.042	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-58.5	-22.9	-179.3	65.2	0	0	0	0	114.7	T52 E70 G138 S139 Q208 F212 C213	T52-S210 PolarHBondContact OG1-O 3.43Å; E70-S210 PolarHBondContact OE1-N 3.14Å; G138-S210 WeakPolarHBondContact CA-OG 3.29Å; S139-S210 PolarHBondContact N-OG 2.97Å; S139-S210 WeakPolarHBondContact OG-CB 3.28Å; S139-S210 PolarHBondContact OG-N 2.91Å; S139-S210 PolarHBondContact OG-OG 2.75Å; Q208-S210 PolarHBondContact O-N 2.95Å; S210-F212 PolarHBondContact O-N 3.03Å; S210-C213 PolarHBondContact O-N 3.1Å; S210-C213 PolarHBondContact O-SG 3.14Å
211	A	86	Confident	62.7	Low	16 Å²	16	98.5 Å²	98.5	13%	0.132	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-64.9	-24.5	173.1	0	0	0	0	0	114	I136 S137 S139 M140 Y209	I136-A211 HydrophobicContact CD1-CB 3.93Å; I136-A211 HydrophobicContact CG1-CB 3.74Å; S137-A211 WeakPolarHBondContact O-CA 3.17Å; S139-A211 WeakPolarHBondContact O-CB 3.39Å; S139-A211 PolarHBondContact O-N 3.43Å; M140-A211 HydrophobicContact CE-CB 4.35Å; M140-A211 HydrophobicContact CG-CB 3.77Å; Y209-A211 PolarHBondContact O-N 3.12Å; Y209-A211 VanDerWaalsContact O-N 3.08Å
212	F	82.6	Confident	61.1	Low	45 Å²	45	99.9 Å²	99.9	20%	0.197	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-115.9	11.3	179.2	-50.1	-73.5	0	0	0	112.2	I136 M140 M196 A199 T200 Y209 S210 Q214	I136-F212 HydrophobicContact CD1-CD1 3.9Å; I136-F212 HydrophobicContact CD1-CE1 3.46Å; I136-F212 VanDerWaalsContact CD1-CE1 3.46Å; I136-F212 HydrophobicContact CD1-CZ 4.01Å; M140-F212 HydrophobicContact CE-CE1 4.13Å; M140-F212 HydrophobicContact CE-CE2 4.31Å; M140-F212 HydrophobicContact CE-CZ 3.58Å; M140-F212 HydrophobicContact CG-CE2 4.03Å; M140-F212 HydrophobicContact CG-CZ 4.2Å; M140-F212 HydrophobicContact SD-CE2 4.44Å; M140-F212 HydrophobicContact SD-CZ 4.07Å; M196-F212 HydrophobicContact CB-CE1 4.44Å; M196-F212 HydrophobicContact CB-CZ 4.49Å; M196-F212 HydrophobicContact CE-CE1 4.49Å; M196-F212 HydrophobicContact CG-CE1 4.09Å; M196-F212 HydrophobicContact CG-CZ 4.11Å; A199-F212 HydrophobicContact CB-CD2 3.95Å; A199-F212 HydrophobicContact CB-CE1 4.37Å; A199-F212 HydrophobicContact CB-CE2 3.23Å; A199-F212 HydrophobicContact CB-CZ 3.47Å; A199-F212 VanDerWaalsContact CB-CZ 3.47Å; T200-F212 HydrophobicContact CG2-CD1 4.16Å; T200-F212 HydrophobicContact CG2-CE1 4.09Å; Y209-F212 PolarHBondContact O-N 3.02Å; S210-F212 PolarHBondContact O-N 3.03Å; F212-Q214 PolarHBondContact O-N 2.85Å
213	C	79.9	Confident	60.4	Low	33 Å²	33	99.8 Å²	99.8	22%	0.223	53%	0.526	C	S	.	.			trans	-63.7	143.1	179.5	76.8	0	0	0	0	109.4	T52 C54 G55 Y209 S210	T52-C213 PolarHBondContact OG1-SG 3.48Å; T52-C213 VanDerWaalsContact OG1-SG 3.33Å; C54-C213 VanDerWaalsContact CA-SG 3.54Å; C54-C213 HydrophobicContact CB-CB 3.98Å; C54-C213 WeakPolarHBondContact CB-SG 3.37Å; C54-C213 VanDerWaalsContact SG-CA 3.6Å; C54-C213 WeakPolarHBondContact SG-CB 3.5Å; C54-C213 PolarHBondContact SG-O 3.46Å; C54-C213 CovalentContact SG-SG 2.03Å; C54-C213 PolarHBondContact SG-SG 3.28Å; G55-C213 PolarHBondContact N-SG 3.41Å; G55-C213 VanDerWaalsContact N-SG 3.38Å; Y209-C213 PolarHBondContact O-N 3.16Å; S210-C213 PolarHBondContact O-N 3.1Å; S210-C213 PolarHBondContact O-SG 3.14Å
214	Q	70.4	Confident	59.6	Low	171 Å²	171	101.3 Å²	101.3	80%	0.799	53%	0.531	S	S	*	.			trans	-109.3	139	170.1	-65.3	-179.5	-4.2	0	0	107.8	F212 K216	F212-Q214 PolarHBondContact O-N 2.85Å; Q214-K216 PolarHBondContact O-N 3.37Å; Q214-K216 VanDerWaalsContact O-N 3.14Å
215	K	66.2	Low	58.8	Low	155 Å²	155	100.9 Å²	100.9	67%	0.674	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-56.3	124.8	167.7	-89.6	-176.3	174.4	177.6	0	107.2	N53 C54 S217	N53-K215 WeakPolarHBondContact O-CE 3.46Å; N53-K215 WeakPolarHBondContact O-CG 3.3Å; C54-K215 HydrophobicContact CB-CG 4.3Å; K215-S217 PolarHBondContact O-N 3.28Å; K215-S217 VanDerWaalsContact O-N 3.09Å
216	K	58.5	Low	57.9	Low	201 Å²	201	104 Å²	104	87%	0.874	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-55.5	120.9	165.1	-71.4	-176.1	177.6	-179.9	0	106.2	Q214	Q214-K216 PolarHBondContact O-N 3.37Å; Q214-K216 VanDerWaalsContact O-N 3.14Å
217	S	48.8	Very low	57.2	Low	99 Å²	99	108.6 Å²	108.6	69%	0.692	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-49.1	136.9	170.9	-82.9	0	0	0	0	107.8	K215 V219	K215-S217 PolarHBondContact O-N 3.28Å; K215-S217 VanDerWaalsContact O-N 3.09Å; S217-V219 PolarHBondContact O-N 2.86Å
218	P	44.9	Very low	56.5	Low	119 Å²	119	116.6 Å²	116.6	77%	0.773	61%	0.611	S	S	*	*			trans	-55.7	113.2	172.1	20.9	-25.7	0	0	0	105.7	T220	P218-T220 VanDerWaalsContact C-N 3.33Å; P218-T220 PolarHBondContact O-N 2.85Å
219	V	41.2	Very low	55.4	Low	127 Å²	127	119.8 Å²	119.8	77%	0.77	63%	0.629	S	S	*	*			trans	-58.9	106.9	174.7	175.8	0	0	0	0	104.6	S217 R221	S217-V219 PolarHBondContact O-N 2.86Å; V219-R221 PolarHBondContact O-N 2.81Å
220	T	34.2	Very low	53.7	Low	106 Å²	106	124.9 Å²	124.9	65%	0.65	66%	0.658	S	S	*	*			trans	-57.6	97.7	162.7	-2.8	0	0	0	0	104.5	P218 F222	P218-T220 VanDerWaalsContact C-N 3.33Å; P218-T220 PolarHBondContact O-N 2.85Å; T220-F222 PolarHBondContact O-N 2.81Å
221	R	34.7	Very low	51.8	Low	204 Å²	204	131.6 Å²	131.6	77%	0.77	69%	0.692	S	S	*	*			trans	-61.9	92.9	161.9	-82.2	-175	-179.4	178.3	0.2	104.7	V219 F223	V219-R221 PolarHBondContact O-N 2.81Å; R221-F223 PolarHBondContact O-N 2.91Å
222	F	34.9	Very low	49.8	Very low	173 Å²	173	138.4 Å²	138.4	76%	0.759	73%	0.725	S	S	*	*			trans	-61.1	99.8	159.1	-74.8	-80.8	0	0	0	105.2	T220 T224	T220-F222 PolarHBondContact O-N 2.81Å; F222-T224 PolarHBondContact O-N 2.91Å
223	F	38.3	Very low	47.7	Very low	187 Å²	187	144.2 Å²	144.2	82%	0.82	76%	0.758	S	S	*	*			trans	-61.6	96.8	160.4	-76.8	-86.5	0	0	0	105.7	R221 G225	R221-F223 PolarHBondContact O-N 2.91Å; F223-G225 PolarHBondContact O-N 2.89Å
224	T	35.7	Very low	45.6	Very low	133 Å²	133	151.6 Å²	151.6	82%	0.816	79%	0.794	S	S	*	*			trans	-67.9	86.8	159.4	50.7	0	0	0	0	105.9	F222 S226	F222-T224 PolarHBondContact O-N 2.91Å; T224-S226 PolarHBondContact O-N 3.06Å
225	G	37.2	Very low	43.8	Very low	67 Å²	67	150.2 Å²	150.2	69%	0.691	79%	0.793	S	S	*	*			trans	-63.4	104	163.4	0	0	0	0	0	107.4	F223 K227	F223-G225 PolarHBondContact O-N 2.89Å; G225-K227 PolarHBondContact O-N 3.16Å; G225-K227 VanDerWaalsContact O-N 3.16Å
226	S	40.8	Very low	42.1	Very low	106 Å²	106	149.8 Å²	149.8	74%	0.741	80%	0.802	S	S	*	*			trans	-64.2	108.8	159.8	-170.9	0	0	0	0	106.4	T224 N228	T224-S226 PolarHBondContact O-N 3.06Å; S226-N228 PolarHBondContact O-N 3.43Å
227	K	46.2	Very low	40.7	Very low	203 Å²	203	145.6 Å²	145.6	88%	0.883	80%	0.796	S	S	*	*			trans	-75.4	115.2	159.6	-78.5	-173.5	175	-177.1	0	106.3	G225	G225-K227 PolarHBondContact O-N 3.16Å; G225-K227 VanDerWaalsContact O-N 3.16Å
228	N	51.9	Low	40	Very low	223 Å²	223	149.8 Å²	149.8	100%	1.193	81%	0.806	S	S	*	*			trans	-60.6	0	159	-70.1	-13.8	0	0	0	110.2	S226	S226-N228 PolarHBondContact O-N 3.43Å

Retrieved 228 of 228 residues in 716.2 ms (Link to these results)

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