A0A3Q0KJP9_SCHMA Loading...

DUF5746 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KJP9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 215 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	32.3	Very low	28.5	Very low	210 Å²	210	119.8 Å²	119.8	100%	1.034	61%	0.608	S	S	*	*				0	110.5	0	-106.5	179.1	-105.7	0	0	107.3
2	S	24.6	Very low	29	Very low	53 Å²	53	128.1 Å²	128.1	37%	0.371	63%	0.626	S	S	.	*			trans	-74.5	147.4	-175.2	57.7	0	0	0	0	110.8	S4 Q5 V6	S2-S4 WeakPolarHBondContact CB-OG 3.4Å; S2-S4 PolarHBondContact O-N 3.26Å; S2-S4 PolarHBondContact OG-OG 3.47Å; S2-Q5 PolarHBondContact O-N 3.21Å; S2-Q5 WeakPolarHBondContact OG-CG 3.38Å; S2-V6 PolarHBondContact O-N 3.2Å
3	L	24.7	Very low	29.3	Very low	157 Å²	157	134.3 Å²	134.3	82%	0.822	64%	0.639	S	S	*	*	H	α-helix	trans	-54.2	-23.8	172.4	-80.7	157.4	0	0	0	112.7	S7	L3-S7 WeakPolarHBondContact O-CB 3.13Å; L3-S7 PolarHBondContact O-N 3.33Å; L3-S7 PolarHBondContact O-OG 3.26Å
4	S	29	Very low	30.2	Very low	70 Å²	70	135.6 Å²	135.6	49%	0.49	63%	0.634	S	S	.	*	H	α-helix	trans	-67.8	-37.5	172.3	56.5	0	0	0	0	113.6	S2 V6 S7 E8	S2-S4 WeakPolarHBondContact CB-OG 3.4Å; S2-S4 PolarHBondContact O-N 3.26Å; S2-S4 PolarHBondContact OG-OG 3.47Å; S4-V6 VanDerWaalsContact C-N 3.33Å; S4-V6 PolarHBondContact O-N 2.95Å; S4-S7 PolarHBondContact O-N 2.85Å; S4-S7 PolarHBondContact O-OG 3.1Å; S4-E8 VanDerWaalsContact O-CB 3.3Å; S4-E8 WeakPolarHBondContact O-CB 3.15Å; S4-E8 PolarHBondContact O-N 3Å
5	Q	27.9	Very low	30.7	Very low	106 Å²	106	129.5 Å²	129.5	50%	0.495	62%	0.617	S	S	.	*	H	α-helix	trans	-73.5	-28.7	179	-71.7	174.4	-27.9	0	0	112.1	S2 R9	S2-Q5 PolarHBondContact O-N 3.21Å; S2-Q5 WeakPolarHBondContact OG-CG 3.38Å; Q5-R9 PolarHBondContact O-N 2.79Å
6	V	28	Very low	31.2	Very low	87 Å²	87	125.1 Å²	125.1	53%	0.527	60%	0.601	S	S	.	*	H	α-helix	trans	-76.5	-37	174.7	-177.9	0	0	0	0	110.8	S2 S4 A10	S2-V6 PolarHBondContact O-N 3.2Å; S4-V6 VanDerWaalsContact C-N 3.33Å; S4-V6 PolarHBondContact O-N 2.95Å; V6-A10 WeakPolarHBondContact O-CB 3.45Å; V6-A10 PolarHBondContact O-N 2.8Å
7	S	28.5	Very low	32	Very low	60 Å²	60	121.8 Å²	121.8	42%	0.42	59%	0.59	S	S	.	*	H	α-helix	trans	-72.1	-32.7	176.5	73.7	0	0	0	0	113	L3 S4 A10 R11	L3-S7 WeakPolarHBondContact O-CB 3.13Å; L3-S7 PolarHBondContact O-N 3.33Å; L3-S7 PolarHBondContact O-OG 3.26Å; S4-S7 PolarHBondContact O-N 2.85Å; S4-S7 PolarHBondContact O-OG 3.1Å; S7-A10 CarbonylContact O-C 3.5Å; S7-A10 PolarHBondContact O-N 3.36Å; S7-R11 WeakPolarHBondContact O-CB 3.45Å; S7-R11 PolarHBondContact O-N 2.86Å
8	E	28.7	Very low	33.2	Very low	134 Å²	134	118.2 Å²	118.2	63%	0.626	57%	0.574	S	S	*	*	H	α-helix	trans	-71.8	-36.8	176.4	-158	162	-148.9	0	0	111.8	S4 A10 R11	S4-E8 VanDerWaalsContact O-CB 3.3Å; S4-E8 WeakPolarHBondContact O-CB 3.15Å; S4-E8 PolarHBondContact O-N 3Å; E8-A10 VanDerWaalsContact C-N 3.34Å; E8-R11 PolarHBondContact O-N 2.79Å
9	R	27	Very low	34.3	Very low	215 Å²	215	112.1 Å²	112.1	81%	0.811	54%	0.544	S	S	*	.	H	α-helix	trans	-68.4	-30.3	168.4	-81.3	-179.2	172.5	-178.1	-1.8	113	Q5	Q5-R9 PolarHBondContact O-N 2.79Å
10	A	28.8	Very low	35.2	Very low	53 Å²	53	109.1 Å²	109.1	44%	0.438	54%	0.535	S	S	.	.	H	α-helix	trans	-80.4	-23.5	176.5	0	0	0	0	0	113.9	V6 S7 E8 R13	V6-A10 WeakPolarHBondContact O-CB 3.45Å; V6-A10 PolarHBondContact O-N 2.8Å; S7-A10 CarbonylContact O-C 3.5Å; S7-A10 PolarHBondContact O-N 3.36Å; E8-A10 VanDerWaalsContact C-N 3.34Å; A10-R13 WeakPolarHBondContact O-CG 3.38Å
11	R	34	Very low	36.2	Very low	173 Å²	173	112.3 Å²	112.3	65%	0.653	54%	0.541	S	S	*	.	H	α-helix	trans	-75.2	-29.1	177.5	-96.9	-178.7	170.8	167.9	-4.7	113.5	S7 E8 R13	S7-R11 WeakPolarHBondContact O-CB 3.45Å; S7-R11 PolarHBondContact O-N 2.86Å; E8-R11 PolarHBondContact O-N 2.79Å; R11-R13 VanDerWaalsContact C-N 3.27Å; R11-R13 PolarHBondContact O-N 2.8Å; R11-R13 VanDerWaalsContact O-N 3.13Å
12	R	34.5	Very low	37.4	Very low	219 Å²	219	102.7 Å²	102.7	83%	0.826	50%	0.495	S	S	*	.			trans	-85.7	59.5	171.6	-68.8	-176.7	177.9	-177.7	-0.2	111.4	R14	R12-R14 VanDerWaalsContact C-N 3.28Å; R12-R14 PolarHBondContact O-N 3.42Å
13	R	33.4	Very low	38.9	Very low	209 Å²	209	101 Å²	101	79%	0.789	48%	0.481	S	S	*	.			trans	-76.6	85.7	167	-78.6	-179	-174.9	-158.8	1.7	108.8	A10 R11 A15	A10-R13 WeakPolarHBondContact O-CG 3.38Å; R11-R13 VanDerWaalsContact C-N 3.27Å; R11-R13 PolarHBondContact O-N 2.8Å; R11-R13 VanDerWaalsContact O-N 3.13Å; R13-A15 PolarHBondContact O-N 3.27Å
14	R	41.5	Very low	40	Very low	152 Å²	152	94.7 Å²	94.7	57%	0.574	45%	0.454	S	S	*	.			trans	-61.3	103.9	155.7	-80.9	-174.6	-161.1	-168.4	4	106.9	R12 T16 D109	R12-R14 VanDerWaalsContact C-N 3.28Å; R12-R14 PolarHBondContact O-N 3.42Å; R14-T16 VanDerWaalsContact C-N 3.26Å; R14-T16 PolarHBondContact O-N 2.9Å; R14-D109 IonicContact CZ-OD2 3.78Å; R14-D109 IonicContact NH1-OD1 3.55Å; R14-D109 IonicContact NH1-OD2 2.72Å; R14-D109 PolarHBondContact NH1-OD2 2.55Å
15	A	37.7	Very low	40.5	Very low	45 Å²	45	96.3 Å²	96.3	37%	0.372	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	70.5	161.1	0	0	0	0	0	107.5	R13 V17 I93	R13-A15 PolarHBondContact O-N 3.27Å; A15-V17 PolarHBondContact O-N 2.96Å; A15-I93 HydrophobicContact CB-CG2 3.96Å; A15-I93 PolarHBondContact O-N 3.43Å
16	T	38.4	Very low	40.9	Very low	59 Å²	59	96.3 Å²	96.3	36%	0.362	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	102.1	162.3	5.9	0	0	0	0	106.4	R14 N18 D109	R14-T16 VanDerWaalsContact C-N 3.26Å; R14-T16 PolarHBondContact O-N 2.9Å; T16-N18 PolarHBondContact O-N 3.48Å; T16-D109 HydrophobicContact CG2-CB 4.21Å
17	V	44.9	Very low	41.4	Very low	69 Å²	69	104 Å²	104	42%	0.418	48%	0.484	S	S	.	.			trans	-80.4	103.3	169.1	-168.2	0	0	0	0	105.4	A15 L19 V22 I91	A15-V17 PolarHBondContact O-N 2.96Å; V17-L19 PolarHBondContact O-N 3.31Å; V17-L19 VanDerWaalsContact O-N 3.16Å; V17-V22 HydrophobicContact CB-CG2 3.94Å; V17-V22 HydrophobicContact CG1-CG2 3.43Å; V17-V22 VanDerWaalsContact CG1-CG2 3.43Å; V17-I91 CarbonylContact C-O 3.58Å; V17-I91 VanDerWaalsContact CB-O 3.31Å; V17-I91 WeakPolarHBondContact CB-O 3.32Å; V17-I91 PolarHBondContact N-O 3.39Å
18	N	53	Low	41.9	Very low	57 Å²	57	105.6 Å²	105.6	31%	0.305	50%	0.495	S	S	.	.			trans	-45.1	125.2	-179.6	-178.6	-55.3	0	0	0	110	T16 S20 R21 V22	T16-N18 PolarHBondContact O-N 3.48Å; N18-S20 PolarHBondContact O-N 3.49Å; N18-S20 VanDerWaalsContact O-N 3.17Å; N18-S20 WeakPolarHBondContact OD1-CA 3.26Å; N18-S20 WeakPolarHBondContact OD1-CB 3.13Å; N18-S20 PolarHBondContact OD1-N 2.97Å; N18-S20 PolarHBondContact OD1-OG 2.9Å; N18-R21 HydrophobicContact CB-CB 4.27Å; N18-R21 HydrophobicContact CB-CG 4.04Å; N18-R21 WeakPolarHBondContact O-CA 2.63Å; N18-R21 VanDerWaalsContact O-CB 3.28Å; N18-R21 WeakPolarHBondContact O-CB 3.49Å; N18-R21 PolarHBondContact O-N 2.96Å; N18-V22 PolarHBondContact O-N 3.08Å
19	L	55.6	Low	42.6	Very low	2 Å²	2	103.6 Å²	103.6	1%	0.01	49%	0.492	C	S	.	.	H	α-helix	trans	-60.8	-32.2	-171.9	-158.3	83.1	0	0	0	111.5	V17 R21 V22 L23 F50 F89 I91 E113 I114 M117	V17-L19 PolarHBondContact O-N 3.31Å; V17-L19 VanDerWaalsContact O-N 3.16Å; L19-R21 VanDerWaalsContact C-N 3.28Å; L19-R21 PolarHBondContact O-N 3.34Å; L19-V22 PolarHBondContact O-N 3.43Å; L19-L23 HydrophobicContact CD2-CD1 4.28Å; L19-L23 HydrophobicContact CG-CD1 4.27Å; L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 WeakPolarHBondContact O-CG 3.14Å; L19-L23 PolarHBondContact O-N 3.08Å; L19-F50 HydrophobicContact CD1-CE1 3.95Å; L19-F50 HydrophobicContact CD1-CZ 3.94Å; L19-F50 HydrophobicContact CD2-CD1 4.34Å; L19-F50 HydrophobicContact CD2-CE1 3.64Å; L19-F50 HydrophobicContact CD2-CZ 4.28Å; L19-F50 HydrophobicContact CG-CE1 4.42Å; L19-F89 HydrophobicContact CD1-CE2 4.44Å; L19-I91 HydrophobicContact CD1-CB 3.93Å; L19-I91 HydrophobicContact CD1-CD1 3.63Å; L19-I91 HydrophobicContact CD1-CG1 3.5Å; L19-I91 VanDerWaalsContact CD1-CG1 3.5Å; L19-I91 HydrophobicContact CD1-CG2 3.35Å; L19-E113 PolarHBondContact N-OE2 3.13Å; L19-I114 HydrophobicContact CD2-CG1 4.18Å; L19-M117 HydrophobicContact CB-CE 4.32Å; L19-M117 HydrophobicContact CB-SD 3.71Å; L19-M117 HydrophobicContact CD2-CE 3.59Å; L19-M117 HydrophobicContact CD2-SD 3.61Å; L19-M117 HydrophobicContact CG-CE 4.19Å; L19-M117 HydrophobicContact CG-SD 4.11Å
20	S	52.4	Low	43.4	Very low	51 Å²	51	96.2 Å²	96.2	36%	0.357	47%	0.465	S	S	.	.	H	α-helix	trans	-65.6	-29.2	172.6	81.5	0	0	0	0	112.5	N18 G24	N18-S20 PolarHBondContact O-N 3.49Å; N18-S20 VanDerWaalsContact O-N 3.17Å; N18-S20 WeakPolarHBondContact OD1-CA 3.26Å; N18-S20 WeakPolarHBondContact OD1-CB 3.13Å; N18-S20 PolarHBondContact OD1-N 2.97Å; N18-S20 PolarHBondContact OD1-OG 2.9Å; S20-G24 WeakPolarHBondContact O-CA 3.43Å; S20-G24 PolarHBondContact O-N 2.78Å
21	R	55.5	Low	44.6	Very low	177 Å²	177	99 Å²	99	67%	0.668	47%	0.472	S	S	*	.	H	α-helix	trans	-74.9	-40.5	172.6	-71.2	-179.6	132.8	165.1	-1.5	111.6	N18 L19 G24 C25	N18-R21 HydrophobicContact CB-CB 4.27Å; N18-R21 HydrophobicContact CB-CG 4.04Å; N18-R21 WeakPolarHBondContact O-CA 2.63Å; N18-R21 VanDerWaalsContact O-CB 3.28Å; N18-R21 WeakPolarHBondContact O-CB 3.49Å; N18-R21 PolarHBondContact O-N 2.96Å; L19-R21 VanDerWaalsContact C-N 3.28Å; L19-R21 PolarHBondContact O-N 3.34Å; R21-G24 PolarHBondContact O-N 3.48Å; R21-C25 CarbonylContact O-C 3.57Å; R21-C25 PolarHBondContact O-N 2.81Å
22	V	57.1	Low	45.6	Very low	9 Å²	9	101.3 Å²	101.3	6%	0.055	48%	0.481	C	S	.	.	H	α-helix	trans	-61.9	-46.9	174.9	-177.8	0	0	0	0	110.5	V17 N18 L19 G24 Y30 F89	V17-V22 HydrophobicContact CB-CG2 3.94Å; V17-V22 HydrophobicContact CG1-CG2 3.43Å; V17-V22 VanDerWaalsContact CG1-CG2 3.43Å; N18-V22 PolarHBondContact O-N 3.08Å; L19-V22 PolarHBondContact O-N 3.43Å; V22-G24 VanDerWaalsContact C-N 3.35Å; V22-Y30 WeakPolarHBondContact CG1-OH 3.35Å; V22-F89 HydrophobicContact CG1-CD2 3.5Å; V22-F89 HydrophobicContact CG1-CE2 3.64Å; V22-F89 HydrophobicContact CG1-CG 4.29Å
23	L	56.4	Low	46.6	Very low	17 Å²	17	99.5 Å²	99.5	9%	0.089	47%	0.474	C	S	.	.	H	α-helix	trans	-82	-10.9	178.8	-65.5	179.3	0	0	0	113.7	L19 R38 I80 F89 M117 L122 I133	L19-L23 HydrophobicContact CD2-CD1 4.28Å; L19-L23 HydrophobicContact CG-CD1 4.27Å; L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 WeakPolarHBondContact O-CG 3.14Å; L19-L23 PolarHBondContact O-N 3.08Å; L23-R38 PolarHBondContact O-NE 3.19Å; L23-R38 VanDerWaalsContact O-NE 3.1Å; L23-R38 PolarHBondContact O-NH2 2.84Å; L23-I80 HydrophobicContact CD2-CD1 3.98Å; L23-F89 HydrophobicContact CD2-CZ 3.95Å; L23-M117 HydrophobicContact CD1-CE 3.8Å; L23-L122 HydrophobicContact CB-CD1 4.01Å; L23-L122 HydrophobicContact CD1-CD1 3.82Å; L23-I133 HydrophobicContact CD1-CD1 4.39Å
24	G	46.9	Very low	47.7	Very low	25 Å²	25	90.7 Å²	90.7	26%	0.258	44%	0.441	S	S	.	.	H	α-helix	trans	-109.9	-55.4	-171.1	0	0	0	0	0	114.2	S20 R21 V22 R38	S20-G24 WeakPolarHBondContact O-CA 3.43Å; S20-G24 PolarHBondContact O-N 2.78Å; R21-G24 PolarHBondContact O-N 3.48Å; V22-G24 VanDerWaalsContact C-N 3.35Å; G24-R38 VanDerWaalsContact C-NH2 3.3Å; G24-R38 PolarHBondContact O-NH1 2.89Å; G24-R38 PolarHBondContact O-NH2 2.88Å
25	C	40.5	Very low	48.5	Very low	104 Å²	104	85.9 Å²	85.9	70%	0.703	43%	0.427	S	S	*	.			trans	-158.9	90.1	-164.5	-74.9	0	0	0	0	112.7	R21	R21-C25 CarbonylContact O-C 3.57Å; R21-C25 PolarHBondContact O-N 2.81Å
26	H	35.6	Very low	49.8	Very low	106 Å²	106	90.7 Å²	90.7	49%	0.491	44%	0.439	S	S	.	.			trans	-139.9	107.8	145.5	-146.5	-106	0	0	0	109.1	S28 T29	H26-S28 PolarHBondContact CE1-OG 2.96Å; H26-S28 PolarHBondContact ND1-OG 3.31Å; H26-S28 PolarHBondContact O-N 3.08Å; H26-S28 VanDerWaalsContact O-N 3.17Å; H26-T29 PolarHBondContact ND1-OG1 3.27Å
27	R	38.5	Very low	50.8	Low	247 Å²	247	90.8 Å²	90.8	93%	0.932	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.8	-175.3	-99.6	-175.6	-173.7	-153.4	2.8	113.8
28	S	39.2	Very low	51.7	Low	94 Å²	94	90 Å²	90	66%	0.657	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-3.4	-164.9	56.4	0	0	0	0	116.1	H26	H26-S28 PolarHBondContact CE1-OG 2.96Å; H26-S28 PolarHBondContact ND1-OG 3.31Å; H26-S28 PolarHBondContact O-N 3.08Å; H26-S28 VanDerWaalsContact O-N 3.17Å
29	T	43.8	Very low	52.2	Low	92 Å²	92	88.7 Å²	88.7	56%	0.564	42%	0.421	S	S	*	.	S	Bend	trans	-116.6	-4.2	-172.1	35.8	0	0	0	0	115.7	H26	H26-T29 PolarHBondContact ND1-OG1 3.27Å
30	Y	43.5	Very low	52.7	Low	61 Å²	61	91.3 Å²	91.3	24%	0.239	43%	0.434	C	S	.	.	S	Bend	trans	-125.7	137.4	179.5	-63.1	-77.6	0	0	0	111.8	V22 W34 N35 F89	V22-Y30 WeakPolarHBondContact CG1-OH 3.35Å; Y30-W34 VanDerWaalsContact CB-CE3 3.43Å; Y30-W34 HydrophobicContact CD1-CD2 4.18Å; Y30-W34 HydrophobicContact CD1-CG 4.36Å; Y30-W34 HydrophobicContact CD2-CD2 4.5Å; Y30-W34 HydrophobicContact CD2-CE3 4.08Å; Y30-W34 HydrophobicContact CD2-CH2 4.1Å; Y30-W34 AromaticContact CD2-CZ3 3.85Å; Y30-W34 HydrophobicContact CD2-CZ3 3.85Å; Y30-W34 HydrophobicContact CE2-CH2 4.4Å; Y30-W34 AromaticContact CG-CD2 3.89Å; Y30-W34 HydrophobicContact CG-CD2 3.89Å; Y30-W34 AromaticContact CG-CE3 3.77Å; Y30-W34 HydrophobicContact CG-CE3 3.77Å; Y30-W34 HydrophobicContact CG-CG 4.36Å; Y30-W34 HydrophobicContact CG-CH2 4.42Å; Y30-W34 HydrophobicContact CG-CZ3 4.03Å; Y30-N35 PolarHBondContact O-ND2 3.32Å; Y30-F89 HydrophobicContact CE1-CB 4.32Å; Y30-F89 WeakPolarHBondContact OH-CB 3.42Å
31	D	53.4	Low	53.2	Low	112 Å²	112	89.4 Å²	89.4	60%	0.599	42%	0.42	S	S	*	.			trans	-47.3	145.2	178.7	-175.5	-4	0	0	0	111.2	R33 W34 N35	D31-R33 HydrophobicContact CB-CB 4.42Å; D31-R33 PolarHBondContact O-N 3.16Å; D31-R33 PolarHBondContact OD1-N 3.06Å; D31-R33 VanDerWaalsContact OD1-N 3.17Å; D31-R33 WeakPolarHBondContact OD2-CB 3.38Å; D31-W34 WeakPolarHBondContact O-CA 3.42Å; D31-W34 WeakPolarHBondContact O-CB 3.44Å; D31-W34 PolarHBondContact O-N 2.92Å; D31-N35 PolarHBondContact O-N 2.78Å; D31-N35 VanDerWaalsContact O-N 3.14Å
32	R	55.8	Low	53.7	Low	221 Å²	221	81.9 Å²	81.9	83%	0.834	39%	0.393	S	S	*	.	H	α-helix	trans	-48.1	-35.1	171	-70	-176.4	178.8	179.8	0.6	111.1	N35 K36	R32-N35 PolarHBondContact O-N 3.29Å; R32-K36 WeakPolarHBondContact O-CB 3.34Å; R32-K36 PolarHBondContact O-N 3.17Å
33	R	56	Low	54.1	Low	181 Å²	181	90 Å²	90	68%	0.683	42%	0.422	S	S	*	.	H	α-helix	trans	-58.3	-46.7	173.7	-169.5	178.7	-179	-176.8	0.2	112.4	D31 K36 L37	D31-R33 HydrophobicContact CB-CB 4.42Å; D31-R33 PolarHBondContact O-N 3.16Å; D31-R33 PolarHBondContact OD1-N 3.06Å; D31-R33 VanDerWaalsContact OD1-N 3.17Å; D31-R33 WeakPolarHBondContact OD2-CB 3.38Å; R33-K36 PolarHBondContact O-N 2.84Å; R33-L37 HydrophobicContact CG-CD1 3.85Å; R33-L37 HydrophobicContact CG-CG 4.43Å; R33-L37 WeakPolarHBondContact O-CB 3.36Å; R33-L37 VanDerWaalsContact O-CG 3.27Å; R33-L37 WeakPolarHBondContact O-CG 3.45Å; R33-L37 PolarHBondContact O-N 2.76Å
34	W	55.5	Low	54.3	Low	24 Å²	24	97.8 Å²	97.8	9%	0.091	45%	0.451	C	S	.	.	H	α-helix	trans	-63.9	-44.8	177.4	-174.5	87.6	0	0	0	111.4	Y30 D31 K36 L37 R38	Y30-W34 VanDerWaalsContact CB-CE3 3.43Å; Y30-W34 HydrophobicContact CD1-CD2 4.18Å; Y30-W34 HydrophobicContact CD1-CG 4.36Å; Y30-W34 HydrophobicContact CD2-CD2 4.5Å; Y30-W34 HydrophobicContact CD2-CE3 4.08Å; Y30-W34 HydrophobicContact CD2-CH2 4.1Å; Y30-W34 AromaticContact CD2-CZ3 3.85Å; Y30-W34 HydrophobicContact CD2-CZ3 3.85Å; Y30-W34 HydrophobicContact CE2-CH2 4.4Å; Y30-W34 AromaticContact CG-CD2 3.89Å; Y30-W34 HydrophobicContact CG-CD2 3.89Å; Y30-W34 AromaticContact CG-CE3 3.77Å; Y30-W34 HydrophobicContact CG-CE3 3.77Å; Y30-W34 HydrophobicContact CG-CG 4.36Å; Y30-W34 HydrophobicContact CG-CH2 4.42Å; Y30-W34 HydrophobicContact CG-CZ3 4.03Å; D31-W34 WeakPolarHBondContact O-CA 3.42Å; D31-W34 WeakPolarHBondContact O-CB 3.44Å; D31-W34 PolarHBondContact O-N 2.92Å; W34-K36 VanDerWaalsContact C-N 3.33Å; W34-K36 PolarHBondContact O-N 3.43Å; W34-L37 PolarHBondContact O-N 3.21Å; W34-R38 HydrophobicContact CE3-CB 4.48Å; W34-R38 WeakPolarHBondContact O-CB 3.45Å; W34-R38 PolarHBondContact O-N 2.96Å
35	N	58.9	Low	55	Low	51 Å²	51	101.2 Å²	101.2	27%	0.273	46%	0.46	S	S	.	.	H	α-helix	trans	-62.2	-39.5	178.5	-75.1	-49.4	0	0	0	112.6	Y30 D31 R32 T39	Y30-N35 PolarHBondContact O-ND2 3.32Å; D31-N35 PolarHBondContact O-N 2.78Å; D31-N35 VanDerWaalsContact O-N 3.14Å; R32-N35 PolarHBondContact O-N 3.29Å; N35-T39 WeakPolarHBondContact O-CB 3.21Å; N35-T39 PolarHBondContact O-N 3.32Å; N35-T39 PolarHBondContact O-OG1 3.35Å
36	K	64.1	Low	56.1	Low	146 Å²	146	100.7 Å²	100.7	64%	0.635	45%	0.45	S	S	*	.	H	α-helix	trans	-67.3	-51.8	175.5	-173.3	178.5	179.1	-178.3	0	111.4	R32 R33 W34 R38 T39 D40	R32-K36 WeakPolarHBondContact O-CB 3.34Å; R32-K36 PolarHBondContact O-N 3.17Å; R33-K36 PolarHBondContact O-N 2.84Å; W34-K36 VanDerWaalsContact C-N 3.33Å; W34-K36 PolarHBondContact O-N 3.43Å; K36-R38 VanDerWaalsContact C-N 3.35Å; K36-R38 PolarHBondContact O-N 3.45Å; K36-T39 WeakPolarHBondContact O-CB 3.28Å; K36-T39 PolarHBondContact O-N 2.78Å; K36-T39 VanDerWaalsContact O-N 3.14Å; K36-D40 PolarHBondContact O-N 2.86Å
37	L	59.6	Low	57	Low	61 Å²	61	99.7 Å²	99.7	32%	0.319	45%	0.448	S	S	.	.	H	α-helix	trans	-61.2	-42.2	179.1	-73.5	173	0	0	0	112.2	R33 W34 D40 F41 L85	R33-L37 HydrophobicContact CG-CD1 3.85Å; R33-L37 HydrophobicContact CG-CG 4.43Å; R33-L37 WeakPolarHBondContact O-CB 3.36Å; R33-L37 VanDerWaalsContact O-CG 3.27Å; R33-L37 WeakPolarHBondContact O-CG 3.45Å; R33-L37 PolarHBondContact O-N 2.76Å; W34-L37 PolarHBondContact O-N 3.21Å; L37-D40 PolarHBondContact O-N 2.76Å; L37-F41 WeakPolarHBondContact O-CB 3.45Å; L37-F41 PolarHBondContact O-N 2.68Å; L37-L85 HydrophobicContact CB-CD1 4.49Å; L37-L85 HydrophobicContact CB-CD2 4.19Å; L37-L85 HydrophobicContact CD1-CD2 4.21Å; L37-L85 HydrophobicContact CD2-CD2 4.28Å; L37-L85 HydrophobicContact CG-CD2 4.47Å
38	R	64.3	Low	58	Low	53 Å²	53	88.6 Å²	88.6	20%	0.2	41%	0.407	C	S	.	.	H	α-helix	trans	-58.7	-48.1	173	175.9	173.9	170	-140.2	-16.2	110.8	L23 G24 W34 K36 F41 L42	L23-R38 PolarHBondContact O-NE 3.19Å; L23-R38 VanDerWaalsContact O-NE 3.1Å; L23-R38 PolarHBondContact O-NH2 2.84Å; G24-R38 VanDerWaalsContact C-NH2 3.3Å; G24-R38 PolarHBondContact O-NH1 2.89Å; G24-R38 PolarHBondContact O-NH2 2.88Å; W34-R38 HydrophobicContact CE3-CB 4.48Å; W34-R38 WeakPolarHBondContact O-CB 3.45Å; W34-R38 PolarHBondContact O-N 2.96Å; K36-R38 VanDerWaalsContact C-N 3.35Å; K36-R38 PolarHBondContact O-N 3.45Å; R38-F41 PolarHBondContact O-N 3.35Å; R38-L42 HydrophobicContact CG-CD1 3.65Å; R38-L42 HydrophobicContact CG-CG 4.15Å; R38-L42 WeakPolarHBondContact O-CB 3.17Å; R38-L42 WeakPolarHBondContact O-CG 3.49Å; R38-L42 PolarHBondContact O-N 2.86Å
39	T	64	Low	58.9	Low	29 Å²	29	84.6 Å²	84.6	18%	0.178	38%	0.379	C	S	.	.	H	α-helix	trans	-60.1	-48.4	178.2	-60	0	0	0	0	111.4	N35 K36 F41 R43 R126 F127	N35-T39 WeakPolarHBondContact O-CB 3.21Å; N35-T39 PolarHBondContact O-N 3.32Å; N35-T39 PolarHBondContact O-OG1 3.35Å; K36-T39 WeakPolarHBondContact O-CB 3.28Å; K36-T39 PolarHBondContact O-N 2.78Å; K36-T39 VanDerWaalsContact O-N 3.14Å; T39-F41 VanDerWaalsContact C-N 3.29Å; T39-F41 PolarHBondContact O-N 3.42Å; T39-R43 WeakPolarHBondContact O-CB 3.34Å; T39-R43 PolarHBondContact O-N 2.95Å; T39-R126 VanDerWaalsContact CG2-CZ 3.42Å; T39-R126 PolarHBondContact OG1-NH1 3.34Å; T39-F127 HydrophobicContact CG2-CE2 4.33Å; T39-F127 HydrophobicContact CG2-CZ 3.71Å; T39-F127 WeakPolarHBondContact O-CE2 3.49Å; T39-F127 WeakPolarHBondContact O-CZ 3.49Å
40	D	64.8	Low	59.7	Low	56 Å²	56	80.5 Å²	80.5	30%	0.299	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-35.6	179.8	-73	-23.6	0	0	0	111.9	K36 L37 R44	K36-D40 PolarHBondContact O-N 2.86Å; L37-D40 PolarHBondContact O-N 2.76Å; D40-R44 WeakPolarHBondContact O-CG 3.38Å; D40-R44 PolarHBondContact O-N 2.67Å
41	F	63.7	Low	60.4	Low	12 Å²	12	78.1 Å²	78.1	5%	0.053	35%	0.345	C	S	.	.	H	α-helix	trans	-68.9	-53.8	177.5	170.9	-96.8	0	0	0	112.6	L37 R38 T39 R43 R44 H45 L47 L48 P83 L85	L37-F41 WeakPolarHBondContact O-CB 3.45Å; L37-F41 PolarHBondContact O-N 2.68Å; R38-F41 PolarHBondContact O-N 3.35Å; T39-F41 VanDerWaalsContact C-N 3.29Å; T39-F41 PolarHBondContact O-N 3.42Å; F41-R43 PolarHBondContact O-N 3.1Å; F41-R43 VanDerWaalsContact O-N 3.08Å; F41-R44 PolarHBondContact O-N 2.9Å; F41-H45 HydrophobicContact CD2-CB 3.76Å; F41-H45 AromaticContact CD2-CD2 3.35Å; F41-H45 WeakPolarHBondContact CD2-CD2 3.48Å; F41-H45 AromaticContact CD2-CG 3.78Å; F41-H45 HydrophobicContact CE1-CB 4.39Å; F41-H45 HydrophobicContact CE2-CB 3.15Å; F41-H45 AromaticContact CE2-CD2 3.51Å; F41-H45 AromaticContact CE2-CG 3.43Å; F41-H45 VanDerWaalsContact CE2-CG 3.43Å; F41-H45 HydrophobicContact CZ-CB 3.54Å; F41-H45 PolarHBondContact O-N 2.9Å; F41-L47 VanDerWaalsContact CZ-O 3.32Å; F41-L47 WeakPolarHBondContact CZ-O 3.31Å; F41-L48 HydrophobicContact CD1-CD2 3.95Å; F41-L48 HydrophobicContact CE1-CD1 4.17Å; F41-L48 HydrophobicContact CE1-CD2 3.15Å; F41-L48 HydrophobicContact CE1-CG 3.47Å; F41-L48 VanDerWaalsContact CE1-CG 3.47Å; F41-L48 HydrophobicContact CZ-CD2 3.49Å; F41-L48 VanDerWaalsContact CZ-CD2 3.49Å; F41-L48 HydrophobicContact CZ-CG 3.84Å; F41-P83 HydrophobicContact CD2-CG 3.17Å; F41-P83 HydrophobicContact CE2-CG 3.24Å; F41-P83 HydrophobicContact CG-CG 4.05Å; F41-P83 HydrophobicContact CZ-CG 4.2Å; F41-L85 HydrophobicContact CB-CD1 3.49Å; F41-L85 VanDerWaalsContact CB-CD1 3.49Å; F41-L85 HydrophobicContact CD2-CD1 3.97Å; F41-L85 HydrophobicContact CG-CD1 3.7Å
42	L	65.8	Low	60.7	Low	18 Å²	18	73 Å²	73	9%	0.094	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-22.3	-179.7	-61.8	170.8	0	0	0	111.3	R38 L48 F127 I131	R38-L42 HydrophobicContact CG-CD1 3.65Å; R38-L42 HydrophobicContact CG-CG 4.15Å; R38-L42 WeakPolarHBondContact O-CB 3.17Å; R38-L42 WeakPolarHBondContact O-CG 3.49Å; R38-L42 PolarHBondContact O-N 2.86Å; L42-L48 HydrophobicContact CD2-CD1 4.46Å; L42-F127 HydrophobicContact CB-CD2 3.75Å; L42-F127 HydrophobicContact CB-CE2 3.71Å; L42-I131 HydrophobicContact CB-CD1 4.4Å; L42-I131 HydrophobicContact CD2-CD1 3.19Å; L42-I131 HydrophobicContact CD2-CG1 4.25Å; L42-I131 HydrophobicContact CG-CD1 4.28Å
43	R	65.7	Low	60.7	Low	179 Å²	179	63.4 Å²	63.4	68%	0.675	28%	0.282	S	S	*	.	H	α-helix	trans	-74.3	-37.1	171.4	-173.5	179.9	178.3	-173.6	0.5	113.2	T39 F41 F127	T39-R43 WeakPolarHBondContact O-CB 3.34Å; T39-R43 PolarHBondContact O-N 2.95Å; F41-R43 PolarHBondContact O-N 3.1Å; F41-R43 VanDerWaalsContact O-N 3.08Å; R43-F127 HydrophobicContact CB-CD1 4.43Å; R43-F127 HydrophobicContact CB-CE1 3.94Å; R43-F127 HydrophobicContact CB-CE2 4.35Å; R43-F127 HydrophobicContact CB-CZ 3.88Å; R43-F127 HydrophobicContact CG-CE1 4.16Å
44	R	61.7	Low	60.5	Low	182 Å²	182	56.4 Å²	56.4	69%	0.687	26%	0.263	S	S	*	.	H	α-helix	trans	-100.4	-25.5	-169.4	-70	-177.9	-164.1	-170.9	4.3	114.9	D40 F41	D40-R44 WeakPolarHBondContact O-CG 3.38Å; D40-R44 PolarHBondContact O-N 2.67Å; F41-R44 PolarHBondContact O-N 2.9Å
45	H	61.5	Low	60.4	Low	96 Å²	96	56.2 Å²	56.2	44%	0.444	26%	0.264	S	S	.	.			trans	-125.2	147.8	-168.6	-66.1	-79	0	0	0	112.1	F41 K129	F41-H45 HydrophobicContact CD2-CB 3.76Å; F41-H45 AromaticContact CD2-CD2 3.35Å; F41-H45 WeakPolarHBondContact CD2-CD2 3.48Å; F41-H45 AromaticContact CD2-CG 3.78Å; F41-H45 HydrophobicContact CE1-CB 4.39Å; F41-H45 HydrophobicContact CE2-CB 3.15Å; F41-H45 AromaticContact CE2-CD2 3.51Å; F41-H45 AromaticContact CE2-CG 3.43Å; F41-H45 VanDerWaalsContact CE2-CG 3.43Å; F41-H45 HydrophobicContact CZ-CB 3.54Å; F41-H45 PolarHBondContact O-N 2.9Å; H45-K129 PolarHBondContact O-NZ 3.13Å
46	D	61.8	Low	60.1	Low	94 Å²	94	59.7 Å²	59.7	50%	0.503	28%	0.278	S	S	.	.	S	Bend	trans	-100.9	-4.2	-178.7	-68.8	-86.6	0	0	0	112.8	K129 I131 A132	D46-K129 WeakPolarHBondContact OD1-CE 3.38Å; D46-K129 IonicContact OD1-NZ 2.86Å; D46-K129 PolarHBondContact OD1-NZ 2.95Å; D46-K129 IonicContact OD2-NZ 2.8Å; D46-K129 PolarHBondContact OD2-NZ 3.29Å; D46-I131 CarbonylContact O-C 3.01Å; D46-A132 WeakPolarHBondContact O-CB 3.39Å; D46-A132 PolarHBondContact O-N 3.04Å
47	L	56	Low	59.5	Low	85 Å²	85	56.5 Å²	56.5	45%	0.445	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	123	-168.6	-173.3	83	0	0	0	112.2	F41 A132 K134	F41-L47 VanDerWaalsContact CZ-O 3.32Å; F41-L47 WeakPolarHBondContact CZ-O 3.31Å; L47-A132 CarbonylContact C-O 3.57Å; L47-A132 WeakPolarHBondContact CA-O 3.38Å; L47-A132 HydrophobicContact CD1-CB 3.87Å; L47-K134 HydrophobicContact CD1-CB 4.37Å
48	L	58.7	Low	59	Low	14 Å²	14	55.9 Å²	55.9	7%	0.073	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.7	168.2	-79.7	168.6	0	0	0	110.5	F41 L42 I80 I131 A132 I133 K134	F41-L48 HydrophobicContact CD1-CD2 3.95Å; F41-L48 HydrophobicContact CE1-CD1 4.17Å; F41-L48 HydrophobicContact CE1-CD2 3.15Å; F41-L48 HydrophobicContact CE1-CG 3.47Å; F41-L48 VanDerWaalsContact CE1-CG 3.47Å; F41-L48 HydrophobicContact CZ-CD2 3.49Å; F41-L48 VanDerWaalsContact CZ-CD2 3.49Å; F41-L48 HydrophobicContact CZ-CG 3.84Å; L42-L48 HydrophobicContact CD2-CD1 4.46Å; L48-I80 HydrophobicContact CD2-CD1 4.25Å; L48-I80 HydrophobicContact CD2-CG2 3.7Å; L48-I131 HydrophobicContact CB-CG2 4.25Å; L48-I131 HydrophobicContact CD1-CG2 3.75Å; L48-I131 HydrophobicContact CG-CG2 3.81Å; L48-A132 PolarHBondContact N-O 3.43Å; L48-I133 HydrophobicContact CB-CG1 4.28Å; L48-I133 CarbonylContact O-C 3.59Å; L48-I133 WeakPolarHBondContact O-CA 3.44Å; L48-K134 PolarHBondContact O-N 2.78Å
49	S	59.3	Low	58.2	Low	9 Å²	9	56.6 Å²	56.6	6%	0.063	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129	169.6	-66.4	0	0	0	0	110.6	I80 V81 T82 K134	S49-I80 CarbonylContact O-C 3.45Å; S49-I80 WeakPolarHBondContact O-CA 3.42Å; S49-V81 PolarHBondContact O-N 3.17Å; S49-T82 PolarHBondContact N-O 3.4Å; S49-T82 VanDerWaalsContact N-O 3.09Å; S49-K134 CarbonylContact C-O 3.56Å; S49-K134 WeakPolarHBondContact CA-O 3.3Å
50	F	59.9	Low	57.4	Low	7 Å²	7	55.8 Å²	55.8	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.7	-177.6	-164.9	-141.7	0	0	0	111.3	L19 N52 R79 F89 I91 K134 L135 T136	L19-F50 HydrophobicContact CD1-CE1 3.95Å; L19-F50 HydrophobicContact CD1-CZ 3.94Å; L19-F50 HydrophobicContact CD2-CD1 4.34Å; L19-F50 HydrophobicContact CD2-CE1 3.64Å; L19-F50 HydrophobicContact CD2-CZ 4.28Å; L19-F50 HydrophobicContact CG-CE1 4.42Å; F50-N52 WeakPolarHBondContact CD1-ND2 3.35Å; F50-N52 WeakPolarHBondContact CD1-OD1 3.32Å; F50-N52 HydrophobicContact CE1-CB 4.49Å; F50-N52 WeakPolarHBondContact CE1-ND2 3.03Å; F50-N52 WeakPolarHBondContact CE1-OD1 3.32Å; F50-N52 VanDerWaalsContact CE2-OD1 3.31Å; F50-N52 WeakPolarHBondContact CE2-OD1 3.06Å; F50-N52 WeakPolarHBondContact CZ-OD1 3.44Å; F50-R79 WeakPolarHBondContact CD2-O 3.42Å; F50-R79 VanDerWaalsContact CE2-N 3.3Å; F50-F89 HydrophobicContact CD2-CZ 4.21Å; F50-F89 AromaticContact CE2-CE1 3.8Å; F50-F89 HydrophobicContact CE2-CE1 3.8Å; F50-F89 AromaticContact CE2-CE2 3.84Å; F50-F89 HydrophobicContact CE2-CE2 3.84Å; F50-F89 AromaticContact CE2-CZ 3.17Å; F50-F89 HydrophobicContact CE2-CZ 3.17Å; F50-F89 AromaticContact CZ-CE2 3.77Å; F50-F89 HydrophobicContact CZ-CE2 3.77Å; F50-F89 AromaticContact CZ-CZ 3.57Å; F50-F89 HydrophobicContact CZ-CZ 3.57Å; F50-I91 HydrophobicContact CE1-CD1 3.79Å; F50-I91 HydrophobicContact CZ-CD1 3.49Å; F50-I91 VanDerWaalsContact CZ-CD1 3.49Å; F50-I91 HydrophobicContact CZ-CG1 4.15Å; F50-K134 PolarHBondContact N-O 3.24Å; F50-L135 CarbonylContact O-C 3.54Å; F50-T136 VanDerWaalsContact C-OG1 3.31Å; F50-T136 PolarHBondContact N-OG1 2.71Å; F50-T136 PolarHBondContact O-N 3.14Å; F50-T136 PolarHBondContact O-OG1 3.02Å
51	S	59	Low	56.5	Low	10 Å²	10	59.5 Å²	59.5	7%	0.07	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.6	167.1	59.5	0	0	0	0	109.2	G78 R79 V81 A137	S51-G78 WeakPolarHBondContact O-CA 3.1Å; S51-R79 PolarHBondContact N-O 3.2Å; S51-R79 PolarHBondContact O-N 3.41Å; S51-R79 PolarHBondContact OG-O 3.08Å; S51-V81 VanDerWaalsContact CB-CG2 3.49Å; S51-V81 VanDerWaalsContact OG-CG2 3.23Å; S51-V81 WeakPolarHBondContact OG-CG2 3.37Å; S51-A137 VanDerWaalsContact CA-O 3.27Å; S51-A137 WeakPolarHBondContact CA-O 3.33Å
52	N	58.6	Low	55.3	Low	5 Å²	5	62.4 Å²	62.4	3%	0.027	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	118.8	179.4	-86.2	5.7	0	0	0	109.5	F50 L77 G78 I91 I114 L135 A137 V138	F50-N52 WeakPolarHBondContact CD1-ND2 3.35Å; F50-N52 WeakPolarHBondContact CD1-OD1 3.32Å; F50-N52 HydrophobicContact CE1-CB 4.49Å; F50-N52 WeakPolarHBondContact CE1-ND2 3.03Å; F50-N52 WeakPolarHBondContact CE1-OD1 3.32Å; F50-N52 VanDerWaalsContact CE2-OD1 3.31Å; F50-N52 WeakPolarHBondContact CE2-OD1 3.06Å; F50-N52 WeakPolarHBondContact CZ-OD1 3.44Å; N52-L77 PolarHBondContact OD1-O 3.33Å; N52-G78 WeakPolarHBondContact OD1-CA 3.35Å; N52-I91 VanDerWaalsContact CG-CD1 3.42Å; N52-I91 WeakPolarHBondContact ND2-CD1 3.48Å; N52-I91 WeakPolarHBondContact OD1-CD1 3.47Å; N52-I114 WeakPolarHBondContact ND2-CD1 3.49Å; N52-L135 HydrophobicContact CB-CD1 4.25Å; N52-A137 PolarHBondContact N-O 3.41Å; N52-V138 WeakPolarHBondContact O-CA 3.46Å; N52-V138 WeakPolarHBondContact O-CG1 3.17Å
53	F	55.9	Low	54.4	Low	20 Å²	20	65.8 Å²	65.8	9%	0.088	35%	0.349	C	S	.	.				174.7	147.3	117.6	-151.2	-102.4	0	0	0	107.2	I55 V76 F103 V138 I139 V148	F53-I55 HydrophobicContact CD1-CD1 4.47Å; F53-I55 HydrophobicContact CD1-CG1 4.17Å; F53-I55 HydrophobicContact CE1-CB 3.94Å; F53-I55 HydrophobicContact CE1-CD1 3.24Å; F53-I55 HydrophobicContact CE1-CG1 3.18Å; F53-I55 HydrophobicContact CZ-CD1 3.46Å; F53-I55 VanDerWaalsContact CZ-CD1 3.46Å; F53-I55 HydrophobicContact CZ-CG1 3.52Å; F53-V76 HydrophobicContact CD2-CG1 4.01Å; F53-V76 HydrophobicContact CE2-CG1 3.85Å; F53-V76 HydrophobicContact CE2-CG2 4.21Å; F53-V76 HydrophobicContact CZ-CG2 4.46Å; F53-F103 HydrophobicContact CD1-CE2 4.28Å; F53-F103 HydrophobicContact CD1-CZ 4.38Å; F53-F103 HydrophobicContact CD2-CZ 4.35Å; F53-F103 HydrophobicContact CE1-CD2 4.43Å; F53-F103 AromaticContact CE1-CE2 3.21Å; F53-F103 HydrophobicContact CE1-CE2 3.21Å; F53-F103 AromaticContact CE1-CZ 3.56Å; F53-F103 HydrophobicContact CE1-CZ 3.56Å; F53-F103 AromaticContact CE2-CE2 3.97Å; F53-F103 HydrophobicContact CE2-CE2 3.97Å; F53-F103 AromaticContact CE2-CZ 3.55Å; F53-F103 HydrophobicContact CE2-CZ 3.55Å; F53-F103 HydrophobicContact CZ-CD2 4.29Å; F53-F103 HydrophobicContact CZ-CE1 4.45Å; F53-F103 AromaticContact CZ-CE2 3.04Å; F53-F103 HydrophobicContact CZ-CE2 3.04Å; F53-F103 AromaticContact CZ-CZ 3.12Å; F53-F103 HydrophobicContact CZ-CZ 3.12Å; F53-V138 HydrophobicContact CB-CG1 3.75Å; F53-V138 HydrophobicContact CG-CG1 4.49Å; F53-I139 CarbonylContact C-O 3.44Å; F53-I139 WeakPolarHBondContact CA-O 3.34Å; F53-I139 WeakPolarHBondContact CB-O 3.32Å; F53-I139 CarbonylContact O-C 3.59Å; F53-V148 HydrophobicContact CD1-CG2 4.1Å; F53-V148 HydrophobicContact CE1-CG2 4.08Å
54	A	51.7	Low	53	Low	33 Å²	33	63.4 Å²	63.4	27%	0.273	36%	0.361	S	S	.	.			trans	-165.7	84.7	170.1	0	0	0	0	0	105.9	E56 L77	A54-E56 PolarHBondContact O-N 2.9Å; A54-L77 HydrophobicContact CB-CB 4.2Å; A54-L77 HydrophobicContact CB-CD1 3.96Å; A54-L77 HydrophobicContact CB-CG 4.25Å
55	I	52.8	Low	52.1	Low	21 Å²	21	62.5 Å²	62.5	11%	0.108	37%	0.366	C	S	.	.			trans	-75.4	104.6	164.1	-80.9	175.2	0	0	0	105.4	F53 W74 F103 I106 A144	F53-I55 HydrophobicContact CD1-CD1 4.47Å; F53-I55 HydrophobicContact CD1-CG1 4.17Å; F53-I55 HydrophobicContact CE1-CB 3.94Å; F53-I55 HydrophobicContact CE1-CD1 3.24Å; F53-I55 HydrophobicContact CE1-CG1 3.18Å; F53-I55 HydrophobicContact CZ-CD1 3.46Å; F53-I55 VanDerWaalsContact CZ-CD1 3.46Å; F53-I55 HydrophobicContact CZ-CG1 3.52Å; I55-W74 HydrophobicContact CG1-CB 4.44Å; I55-W74 HydrophobicContact CG2-CB 4.21Å; I55-W74 HydrophobicContact CG2-CG 4.06Å; I55-F103 HydrophobicContact CD1-CD2 3.8Å; I55-F103 HydrophobicContact CD1-CE2 3.52Å; I55-I106 HydrophobicContact CD1-CD1 3.31Å; I55-I106 HydrophobicContact CD1-CG1 4.49Å; I55-I106 HydrophobicContact CG1-CD1 4.11Å; I55-A144 HydrophobicContact CB-CB 4.22Å
56	E	52.9	Low	51.3	Low	124 Å²	124	62 Å²	62	58%	0.579	37%	0.366	S	S	*	.			trans	-110.9	117.3	167.8	-171.6	172.1	-174.5	0	0	107.2	A54 T58 P75	A54-E56 PolarHBondContact O-N 2.9Å; E56-T58 VanDerWaalsContact C-N 3.33Å; E56-T58 HydrophobicContact CG-CG2 4.19Å; E56-T58 PolarHBondContact O-N 3.43Å; E56-P75 WeakPolarHBondContact O-CD 3.34Å
57	S	52.6	Low	50.3	Low	78 Å²	78	69.2 Å²	69.2	55%	0.545	39%	0.386	S	S	.	.			trans	-69.6	96	171.4	57.7	0	0	0	0	108.1	L73	S57-L73 WeakPolarHBondContact CA-O 3.09Å
58	T	48.8	Very low	50	Low	48 Å²	48	71.3 Å²	71.3	29%	0.294	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117.7	169.1	46	0	0	0	0	107.2	E56 L73	E56-T58 VanDerWaalsContact C-N 3.33Å; E56-T58 HydrophobicContact CG-CG2 4.19Å; E56-T58 PolarHBondContact O-N 3.43Å; T58-L73 PolarHBondContact N-O 3.4Å; T58-L73 VanDerWaalsContact N-O 3.13Å; T58-L73 PolarHBondContact O-N 3.23Å; T58-L73 VanDerWaalsContact O-N 3.08Å
59	T	47.3	Very low	49.7	Very low	69 Å²	69	72.5 Å²	72.5	42%	0.423	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.8	164.7	43.9	0	0	0	0	107.1	D61	T59-D61 PolarHBondContact O-N 3.4Å
60	T	47.7	Very low	49.6	Very low	12 Å²	12	76 Å²	76	7%	0.074	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-66.4	8.5	177.6	42	0	0	0	0	114.2	G62 L63 Q71 L73	T60-G62 PolarHBondContact O-N 2.77Å; T60-L63 HydrophobicContact CG2-CB 4.28Å; T60-L63 PolarHBondContact O-N 3.39Å; T60-Q71 PolarHBondContact N-O 2.82Å; T60-Q71 VanDerWaalsContact N-O 3.14Å; T60-Q71 PolarHBondContact OG1-N 3.09Å; T60-Q71 PolarHBondContact OG1-O 2.72Å; T60-L73 HydrophobicContact CG2-CD1 3.46Å; T60-L73 VanDerWaalsContact CG2-CD1 3.46Å; T60-L73 HydrophobicContact CG2-CG 3.81Å
61	D	44.6	Very low	49.8	Very low	133 Å²	133	77.4 Å²	77.4	71%	0.711	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-61.7	-14.6	178.3	-60	-24.6	0	0	0	112.7	T59	T59-D61 PolarHBondContact O-N 3.4Å
62	G	39.4	Very low	50.4	Low	74 Å²	74	79.6 Å²	79.6	76%	0.763	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-108	-7.2	169.7	0	0	0	0	0	116.1	T60	T60-G62 PolarHBondContact O-N 2.77Å
63	L	45.9	Very low	51.1	Low	88 Å²	88	80.5 Å²	80.5	46%	0.461	46%	0.462	S	S	.	.			trans	-102.8	94.8	179	-95.3	144.1	0	0	0	108.8	T60 M65 L73	T60-L63 HydrophobicContact CG2-CB 4.28Å; T60-L63 PolarHBondContact O-N 3.39Å; L63-M65 PolarHBondContact O-N 2.83Å; L63-L73 HydrophobicContact CD1-CD1 4.18Å
64	S	36.3	Very low	52	Low	130 Å²	130	80 Å²	80	91%	0.909	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	36.6	-179.7	-171	0	0	0	0	115.8
65	M	44.6	Very low	53.1	Low	163 Å²	163	78.9 Å²	78.9	80%	0.803	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-11.7	178.3	-64.6	-145	-45.7	0	0	114.5	L63	L63-M65 PolarHBondContact O-N 2.83Å
66	L	43	Very low	54.3	Low	84 Å²	84	78.1 Å²	78.1	44%	0.44	45%	0.446	S	S	.	.			trans	-132.2	85.5	-179.7	-71.3	160.8	0	0	0	109.9	S68	L66-S68 PolarHBondContact O-N 3.21Å; L66-S68 VanDerWaalsContact O-N 3.09Å
67	R	41.7	Very low	55.6	Low	247 Å²	247	74 Å²	74	93%	0.932	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	113.5	170.1	-65.8	180	177.9	-173.5	-1.4	108.1
68	S	49.2	Very low	56.9	Low	129 Å²	129	70.4 Å²	70.4	90%	0.902	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	25.1	165.8	89.4	0	0	0	0	121	L66	L66-S68 PolarHBondContact O-N 3.21Å; L66-S68 VanDerWaalsContact O-N 3.09Å
69	S	53.3	Low	58.4	Low	39 Å²	39	72.4 Å²	72.4	27%	0.273	41%	0.405	S	S	.	.			trans	-135.6	126.2	166.2	59.8	0	0	0	0	111.7	Q71	S69-Q71 PolarHBondContact O-N 2.83Å
70	S	57.7	Low	59.9	Low	82 Å²	82	69.8 Å²	69.8	57%	0.573	39%	0.388	S	S	*	.			trans	-68.8	78.6	170.7	55.5	0	0	0	0	109.4
71	Q	63.7	Low	61.2	Low	36 Å²	36	70.4 Å²	70.4	17%	0.168	39%	0.392	C	S	.	.			trans	-92.1	134.4	174.6	-69.1	-165.4	-23.5	0	0	109.2	T60 S69	T60-Q71 PolarHBondContact N-O 2.82Å; T60-Q71 VanDerWaalsContact N-O 3.14Å; T60-Q71 PolarHBondContact OG1-N 3.09Å; T60-Q71 PolarHBondContact OG1-O 2.72Å; S69-Q71 PolarHBondContact O-N 2.83Å
72	H	70.5	Confident	62.6	Low	56 Å²	56	67.7 Å²	67.7	26%	0.259	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.2	171	-64.8	-78.4	0	0	0	107.8	W74 G95 G96	H72-W74 HydrophobicContact CB-CE3 4.45Å; H72-W74 HydrophobicContact CB-CH2 3.25Å; H72-W74 HydrophobicContact CB-CZ2 3.39Å; H72-W74 HydrophobicContact CB-CZ3 3.83Å; H72-W74 WeakPolarHBondContact O-CZ3 3.35Å; H72-G95 WeakPolarHBondContact O-CA 3.09Å; H72-G96 PolarHBondContact N-O 2.98Å; H72-G96 PolarHBondContact O-N 3.37Å
73	L	74	Confident	63.9	Low	25 Å²	25	65.9 Å²	65.9	13%	0.131	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.2	174.5	-60.2	175.5	0	0	0	109	S57 T58 T60 L63 I93 Y94	S57-L73 WeakPolarHBondContact CA-O 3.09Å; T58-L73 PolarHBondContact N-O 3.4Å; T58-L73 VanDerWaalsContact N-O 3.13Å; T58-L73 PolarHBondContact O-N 3.23Å; T58-L73 VanDerWaalsContact O-N 3.08Å; T60-L73 HydrophobicContact CG2-CD1 3.46Å; T60-L73 VanDerWaalsContact CG2-CD1 3.46Å; T60-L73 HydrophobicContact CG2-CG 3.81Å; L63-L73 HydrophobicContact CD1-CD1 4.18Å; L73-I93 HydrophobicContact CB-CD1 4.04Å; L73-I93 HydrophobicContact CB-CG1 4.24Å; L73-I93 HydrophobicContact CD1-CD1 3.82Å; L73-I93 HydrophobicContact CD2-CD1 4.2Å; L73-I93 HydrophobicContact CD2-CG1 4.33Å; L73-I93 HydrophobicContact CG-CD1 4.24Å; L73-Y94 CarbonylContact C-O 3.56Å; L73-Y94 WeakPolarHBondContact CA-O 3.47Å
74	W	75.1	Confident	65.1	Low	8 Å²	8	68.7 Å²	68.7	3%	0.03	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	92.4	173.2	-60.3	-77.5	0	0	0	107.5	I55 H72 Y94 T98 K99 I106	I55-W74 HydrophobicContact CG1-CB 4.44Å; I55-W74 HydrophobicContact CG2-CB 4.21Å; I55-W74 HydrophobicContact CG2-CG 4.06Å; H72-W74 HydrophobicContact CB-CE3 4.45Å; H72-W74 HydrophobicContact CB-CH2 3.25Å; H72-W74 HydrophobicContact CB-CZ2 3.39Å; H72-W74 HydrophobicContact CB-CZ3 3.83Å; H72-W74 WeakPolarHBondContact O-CZ3 3.35Å; W74-Y94 HydrophobicContact CD2-CD1 4.38Å; W74-Y94 AromaticContact CE3-CD1 3.45Å; W74-Y94 HydrophobicContact CE3-CD1 3.45Å; W74-Y94 VanDerWaalsContact CE3-CD1 3.45Å; W74-Y94 HydrophobicContact CE3-CE1 4.02Å; W74-Y94 AromaticContact CZ3-CD1 3.83Å; W74-Y94 HydrophobicContact CZ3-CD1 3.83Å; W74-Y94 AromaticContact CZ3-CE1 3.93Å; W74-Y94 HydrophobicContact CZ3-CE1 3.93Å; W74-Y94 PolarHBondContact N-O 2.98Å; W74-Y94 PolarHBondContact O-N 3.17Å; W74-T98 WeakPolarHBondContact CH2-O 2.85Å; W74-K99 HydrophobicContact CZ2-CB 3.94Å; W74-K99 HydrophobicContact CZ2-CG 4.27Å; W74-I106 HydrophobicContact CB-CD1 4.39Å
75	P	74.8	Confident	66.5	Low	11 Å²	11	64.8 Å²	64.8	7%	0.071	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	147.1	173.9	30.3	-31.3	0	0	0	109.3	E56 L77 M90 G92	E56-P75 WeakPolarHBondContact O-CD 3.34Å; P75-L77 HydrophobicContact CB-CD2 3.93Å; P75-L77 HydrophobicContact CB-CG 4.24Å; P75-M90 HydrophobicContact CB-CE 4.39Å; P75-G92 CarbonylContact C-O 3.6Å; P75-G92 WeakPolarHBondContact CA-O 3.37Å
76	V	76.8	Confident	67.6	Low	5 Å²	5	57.3 Å²	57.3	3%	0.03	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.3	162.6	-175.3	0	0	0	0	105.9	F53 I91 G92 T110	F53-V76 HydrophobicContact CD2-CG1 4.01Å; F53-V76 HydrophobicContact CE2-CG1 3.85Å; F53-V76 HydrophobicContact CE2-CG2 4.21Å; F53-V76 HydrophobicContact CZ-CG2 4.46Å; V76-I91 HydrophobicContact CB-CB 4.43Å; V76-I91 HydrophobicContact CG1-CB 4.37Å; V76-I91 HydrophobicContact CG1-CD1 4.24Å; V76-I91 WeakPolarHBondContact O-CB 3.01Å; V76-I91 PolarHBondContact O-N 3.06Å; V76-G92 PolarHBondContact N-O 3.06Å; V76-G92 PolarHBondContact O-N 2.85Å; V76-T110 HydrophobicContact CG1-CG2 4.06Å
77	L	80.9	Confident	69.2	Low	38 Å²	38	59.9 Å²	59.9	20%	0.199	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	150.8	-176.7	-57.2	-177.7	0	0	0	111.1	N52 A54 P75 V88 F89 M90	N52-L77 PolarHBondContact OD1-O 3.33Å; A54-L77 HydrophobicContact CB-CB 4.2Å; A54-L77 HydrophobicContact CB-CD1 3.96Å; A54-L77 HydrophobicContact CB-CG 4.25Å; P75-L77 HydrophobicContact CB-CD2 3.93Å; P75-L77 HydrophobicContact CB-CG 4.24Å; L77-V88 HydrophobicContact CB-CG1 3.67Å; L77-V88 HydrophobicContact CD1-CG1 3.85Å; L77-V88 HydrophobicContact CD2-CG1 4.42Å; L77-V88 HydrophobicContact CG-CG1 4.19Å; L77-F89 WeakPolarHBondContact CA-O 3.28Å; L77-M90 HydrophobicContact CD2-CB 4.15Å; L77-M90 HydrophobicContact CD2-CG 4.26Å
78	G	79.8	Confident	70.9	Confident	2 Å²	2	52.1 Å²	52.1	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.6	175.8	0	0	0	0	0	113.9	S51 N52 V88 F89	S51-G78 WeakPolarHBondContact O-CA 3.1Å; N52-G78 WeakPolarHBondContact OD1-CA 3.35Å; G78-V88 CarbonylContact O-C 3.59Å; G78-V88 WeakPolarHBondContact O-CA 3.31Å; G78-F89 PolarHBondContact N-O 3.14Å; G78-F89 WeakPolarHBondContact O-CD1 3.32Å; G78-F89 PolarHBondContact O-N 3Å
79	R	79.2	Confident	72.3	Confident	89 Å²	89	46.5 Å²	46.5	34%	0.336	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	134.7	176	-174.4	176.7	-176.4	-173.8	3.4	111	F50 S51 V81 S86 V88	F50-R79 WeakPolarHBondContact CD2-O 3.42Å; F50-R79 VanDerWaalsContact CE2-N 3.3Å; S51-R79 PolarHBondContact N-O 3.2Å; S51-R79 PolarHBondContact O-N 3.41Å; S51-R79 PolarHBondContact OG-O 3.08Å; R79-V81 PolarHBondContact O-N 3.21Å; R79-S86 PolarHBondContact NE-O 3.08Å; R79-V88 HydrophobicContact CB-CG2 4.43Å
80	I	80.1	Confident	73.4	Confident	14 Å²	14	49.2 Å²	49.2	7%	0.072	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	112.7	168.3	-58.6	169.2	0	0	0	107.7	L23 L48 S49 P83 S86 F89	L23-I80 HydrophobicContact CD2-CD1 3.98Å; L48-I80 HydrophobicContact CD2-CD1 4.25Å; L48-I80 HydrophobicContact CD2-CG2 3.7Å; S49-I80 CarbonylContact O-C 3.45Å; S49-I80 WeakPolarHBondContact O-CA 3.42Å; I80-P83 WeakPolarHBondContact CG2-O 3Å; I80-S86 PolarHBondContact N-OG 3.23Å; I80-F89 HydrophobicContact CG1-CE1 4.12Å
81	V	74.7	Confident	74.4	Confident	25 Å²	25	45.4 Å²	45.4	15%	0.152	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-42.5	-176.9	177.4	0	0	0	0	110.8	S49 S51 R79 P83 R84	S49-V81 PolarHBondContact O-N 3.17Å; S51-V81 VanDerWaalsContact CB-CG2 3.49Å; S51-V81 VanDerWaalsContact OG-CG2 3.23Å; S51-V81 WeakPolarHBondContact OG-CG2 3.37Å; R79-V81 PolarHBondContact O-N 3.21Å; V81-P83 CarbonylContact O-C 3.43Å; V81-R84 WeakPolarHBondContact O-CD 3.5Å; V81-R84 WeakPolarHBondContact O-CG 3.18Å; V81-R84 PolarHBondContact O-N 2.88Å; V81-R84 PolarHBondContact O-NE 3.15Å
82	T	73	Confident	74.8	Confident	76 Å²	76	43.9 Å²	43.9	47%	0.466	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	120.7	-178.6	-52.6	0	0	0	0	109.8	S49	S49-T82 PolarHBondContact N-O 3.4Å; S49-T82 VanDerWaalsContact N-O 3.09Å
83	P	68.1	Low	75.1	Confident	36 Å²	36	43.7 Å²	43.7	23%	0.234	22%	0.223	C	C	.	.	S	Bend	cis	-67.1	154.4	-16.3	24.9	-30.4	0	0	0	111.5	F41 I80 V81 L85	F41-P83 HydrophobicContact CD2-CG 3.17Å; F41-P83 HydrophobicContact CE2-CG 3.24Å; F41-P83 HydrophobicContact CG-CG 4.05Å; F41-P83 HydrophobicContact CZ-CG 4.2Å; I80-P83 WeakPolarHBondContact CG2-O 3Å; V81-P83 CarbonylContact O-C 3.43Å; P83-L85 HydrophobicContact CB-CD1 4.21Å; P83-L85 HydrophobicContact CB-CD2 4.33Å; P83-L85 HydrophobicContact CB-CG 3.85Å; P83-L85 HydrophobicContact CG-CD1 3.46Å; P83-L85 VanDerWaalsContact CG-CD1 3.46Å; P83-L85 HydrophobicContact CG-CD2 4.44Å; P83-L85 HydrophobicContact CG-CG 3.63Å; P83-L85 PolarHBondContact O-N 2.75Å
84	R	70.6	Confident	75.1	Confident	148 Å²	148	45.6 Å²	45.6	56%	0.558	23%	0.229	S	C	*	.			trans	-69.1	71.8	176	-69	-68.7	-174.4	169.6	6.6	110.8	V81	V81-R84 WeakPolarHBondContact O-CD 3.5Å; V81-R84 WeakPolarHBondContact O-CG 3.18Å; V81-R84 PolarHBondContact O-N 2.88Å; V81-R84 PolarHBondContact O-NE 3.15Å
85	L	65.3	Low	75.2	Confident	48 Å²	48	46.5 Å²	46.5	25%	0.251	24%	0.24	S	C	.	.			trans	-106.3	-13.2	-176.9	-62.6	-178.5	0	0	0	113.4	L37 F41 P83	L37-L85 HydrophobicContact CB-CD1 4.49Å; L37-L85 HydrophobicContact CB-CD2 4.19Å; L37-L85 HydrophobicContact CD1-CD2 4.21Å; L37-L85 HydrophobicContact CD2-CD2 4.28Å; L37-L85 HydrophobicContact CG-CD2 4.47Å; F41-L85 HydrophobicContact CB-CD1 3.49Å; F41-L85 VanDerWaalsContact CB-CD1 3.49Å; F41-L85 HydrophobicContact CD2-CD1 3.97Å; F41-L85 HydrophobicContact CG-CD1 3.7Å; P83-L85 HydrophobicContact CB-CD1 4.21Å; P83-L85 HydrophobicContact CB-CD2 4.33Å; P83-L85 HydrophobicContact CB-CG 3.85Å; P83-L85 HydrophobicContact CG-CD1 3.46Å; P83-L85 VanDerWaalsContact CG-CD1 3.46Å; P83-L85 HydrophobicContact CG-CD2 4.44Å; P83-L85 HydrophobicContact CG-CG 3.63Å; P83-L85 PolarHBondContact O-N 2.75Å
86	S	68.6	Low	75.2	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.042	24%	0.243	C	C	.	.			trans	-118.9	143.6	179.9	86.1	0	0	0	0	111.3	R79 I80	R79-S86 PolarHBondContact NE-O 3.08Å; I80-S86 PolarHBondContact N-OG 3.23Å
87	D	76.5	Confident	74.9	Confident	137 Å²	137	50.3 Å²	50.3	73%	0.733	26%	0.263	S	S	*	.			trans	-67.6	174.9	154.5	-63	-44.5	0	0	0	109.8	F89	D87-F89 PolarHBondContact O-N 3.27Å
88	V	76.5	Confident	74.5	Confident	85 Å²	85	53.6 Å²	53.6	52%	0.515	29%	0.285	S	S	.	.			trans	-64	129.7	171.1	-179.2	0	0	0	0	108.1	L77 G78 R79	L77-V88 HydrophobicContact CB-CG1 3.67Å; L77-V88 HydrophobicContact CD1-CG1 3.85Å; L77-V88 HydrophobicContact CD2-CG1 4.42Å; L77-V88 HydrophobicContact CG-CG1 4.19Å; G78-V88 CarbonylContact O-C 3.59Å; G78-V88 WeakPolarHBondContact O-CA 3.31Å; R79-V88 HydrophobicContact CB-CG2 4.43Å
89	F	78.3	Confident	74.1	Confident	10 Å²	10	58.7 Å²	58.7	4%	0.044	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.1	176.2	58.1	-95.3	0	0	0	110.9	L19 V22 L23 Y30 F50 L77 G78 I80 D87 I91	L19-F89 HydrophobicContact CD1-CE2 4.44Å; V22-F89 HydrophobicContact CG1-CD2 3.5Å; V22-F89 HydrophobicContact CG1-CE2 3.64Å; V22-F89 HydrophobicContact CG1-CG 4.29Å; L23-F89 HydrophobicContact CD2-CZ 3.95Å; Y30-F89 HydrophobicContact CE1-CB 4.32Å; Y30-F89 WeakPolarHBondContact OH-CB 3.42Å; F50-F89 HydrophobicContact CD2-CZ 4.21Å; F50-F89 AromaticContact CE2-CE1 3.8Å; F50-F89 HydrophobicContact CE2-CE1 3.8Å; F50-F89 AromaticContact CE2-CE2 3.84Å; F50-F89 HydrophobicContact CE2-CE2 3.84Å; F50-F89 AromaticContact CE2-CZ 3.17Å; F50-F89 HydrophobicContact CE2-CZ 3.17Å; F50-F89 AromaticContact CZ-CE2 3.77Å; F50-F89 HydrophobicContact CZ-CE2 3.77Å; F50-F89 AromaticContact CZ-CZ 3.57Å; F50-F89 HydrophobicContact CZ-CZ 3.57Å; L77-F89 WeakPolarHBondContact CA-O 3.28Å; G78-F89 PolarHBondContact N-O 3.14Å; G78-F89 WeakPolarHBondContact O-CD1 3.32Å; G78-F89 PolarHBondContact O-N 3Å; I80-F89 HydrophobicContact CG1-CE1 4.12Å; D87-F89 PolarHBondContact O-N 3.27Å; F89-I91 HydrophobicContact CD2-CG1 4.23Å; F89-I91 HydrophobicContact CE2-CG1 4.04Å
90	M	78.1	Confident	73.8	Confident	97 Å²	97	55.3 Å²	55.3	48%	0.478	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.8	176.9	-166.5	176.9	-64.6	0	0	110.1	P75 L77 G92 I93	P75-M90 HydrophobicContact CB-CE 4.39Å; L77-M90 HydrophobicContact CD2-CB 4.15Å; L77-M90 HydrophobicContact CD2-CG 4.26Å; M90-G92 WeakPolarHBondContact CG-O 3.46Å; M90-I93 HydrophobicContact CE-CD1 4.47Å; M90-I93 HydrophobicContact SD-CB 3.92Å; M90-I93 HydrophobicContact SD-CD1 4.25Å; M90-I93 HydrophobicContact SD-CG2 4.4Å
91	I	76.9	Confident	73.3	Confident	1 Å²	1	59 Å²	59	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-46.5	174.8	-59.3	175.1	0	0	0	109.6	V17 L19 F50 N52 V76 F89 T110	V17-I91 CarbonylContact C-O 3.58Å; V17-I91 VanDerWaalsContact CB-O 3.31Å; V17-I91 WeakPolarHBondContact CB-O 3.32Å; V17-I91 PolarHBondContact N-O 3.39Å; L19-I91 HydrophobicContact CD1-CB 3.93Å; L19-I91 HydrophobicContact CD1-CD1 3.63Å; L19-I91 HydrophobicContact CD1-CG1 3.5Å; L19-I91 VanDerWaalsContact CD1-CG1 3.5Å; L19-I91 HydrophobicContact CD1-CG2 3.35Å; F50-I91 HydrophobicContact CE1-CD1 3.79Å; F50-I91 HydrophobicContact CZ-CD1 3.49Å; F50-I91 VanDerWaalsContact CZ-CD1 3.49Å; F50-I91 HydrophobicContact CZ-CG1 4.15Å; N52-I91 VanDerWaalsContact CG-CD1 3.42Å; N52-I91 WeakPolarHBondContact ND2-CD1 3.48Å; N52-I91 WeakPolarHBondContact OD1-CD1 3.47Å; V76-I91 HydrophobicContact CB-CB 4.43Å; V76-I91 HydrophobicContact CG1-CB 4.37Å; V76-I91 HydrophobicContact CG1-CD1 4.24Å; V76-I91 WeakPolarHBondContact O-CB 3.01Å; V76-I91 PolarHBondContact O-N 3.06Å; F89-I91 HydrophobicContact CD2-CG1 4.23Å; F89-I91 HydrophobicContact CE2-CG1 4.04Å; I91-T110 HydrophobicContact CG2-CG2 3.68Å
92	G	73.7	Confident	73.2	Confident	4 Å²	4	63 Å²	63	4%	0.041	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	160.6	179.9	0	0	0	0	0	109.4	P75 V76 M90	P75-G92 CarbonylContact C-O 3.6Å; P75-G92 WeakPolarHBondContact CA-O 3.37Å; V76-G92 PolarHBondContact N-O 3.06Å; V76-G92 PolarHBondContact O-N 2.85Å; M90-G92 WeakPolarHBondContact CG-O 3.46Å
93	I	75.8	Confident	73.3	Confident	52 Å²	52	60.1 Å²	60.1	27%	0.267	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.9	167.4	-166.8	167	0	0	0	108.3	A15 L73 M90	A15-I93 HydrophobicContact CB-CG2 3.96Å; A15-I93 PolarHBondContact O-N 3.43Å; L73-I93 HydrophobicContact CB-CD1 4.04Å; L73-I93 HydrophobicContact CB-CG1 4.24Å; L73-I93 HydrophobicContact CD1-CD1 3.82Å; L73-I93 HydrophobicContact CD2-CD1 4.2Å; L73-I93 HydrophobicContact CD2-CG1 4.33Å; L73-I93 HydrophobicContact CG-CD1 4.24Å; M90-I93 HydrophobicContact CE-CD1 4.47Å; M90-I93 HydrophobicContact SD-CB 3.92Å; M90-I93 HydrophobicContact SD-CD1 4.25Å; M90-I93 HydrophobicContact SD-CG2 4.4Å
94	Y	75.3	Confident	73.7	Confident	65 Å²	65	61.8 Å²	61.8	26%	0.255	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139	168.6	-175.9	-97.3	0	0	0	108.7	L73 W74 P100 I106	L73-Y94 CarbonylContact C-O 3.56Å; L73-Y94 WeakPolarHBondContact CA-O 3.47Å; W74-Y94 HydrophobicContact CD2-CD1 4.38Å; W74-Y94 AromaticContact CE3-CD1 3.45Å; W74-Y94 HydrophobicContact CE3-CD1 3.45Å; W74-Y94 VanDerWaalsContact CE3-CD1 3.45Å; W74-Y94 HydrophobicContact CE3-CE1 4.02Å; W74-Y94 AromaticContact CZ3-CD1 3.83Å; W74-Y94 HydrophobicContact CZ3-CD1 3.83Å; W74-Y94 AromaticContact CZ3-CE1 3.93Å; W74-Y94 HydrophobicContact CZ3-CE1 3.93Å; W74-Y94 PolarHBondContact N-O 2.98Å; W74-Y94 PolarHBondContact O-N 3.17Å; Y94-P100 HydrophobicContact CD1-CG 3.97Å; Y94-P100 HydrophobicContact CE1-CG 3.64Å; Y94-I106 HydrophobicContact CD1-CB 4.29Å; Y94-I106 HydrophobicContact CD1-CG2 3.24Å; Y94-I106 HydrophobicContact CD2-CB 4.21Å; Y94-I106 HydrophobicContact CD2-CG2 3.55Å; Y94-I106 HydrophobicContact CE1-CG2 3.55Å; Y94-I106 HydrophobicContact CE2-CG2 3.79Å; Y94-I106 HydrophobicContact CG-CB 3.91Å; Y94-I106 HydrophobicContact CG-CG2 3.24Å
95	G	75.7	Confident	73.8	Confident	27 Å²	27	59 Å²	59	28%	0.278	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.9	178	0	0	0	0	0	110.7	H72	H72-G95 WeakPolarHBondContact O-CA 3.09Å
96	G	74.9	Confident	74.1	Confident	13 Å²	13	57.8 Å²	57.8	13%	0.134	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	162.7	-179.2	0	0	0	0	0	112	H72 T98	H72-G96 PolarHBondContact N-O 2.98Å; H72-G96 PolarHBondContact O-N 3.37Å; G96-T98 VanDerWaalsContact C-N 3.26Å; G96-T98 PolarHBondContact O-N 3.39Å
97	D	71.9	Confident	74.4	Confident	84 Å²	84	57.5 Å²	57.5	45%	0.449	32%	0.318	S	S	.	.	S	Bend	trans	-76.5	-18.2	-179.5	-55.6	-31.7	0	0	0	111.6
98	T	72.3	Confident	74.5	Confident	106 Å²	106	53.1 Å²	53.1	65%	0.65	30%	0.301	S	S	*	.	S	Bend	trans	-141.1	154	179.1	54.8	0	0	0	0	111.1	W74 G96	W74-T98 WeakPolarHBondContact CH2-O 2.85Å; G96-T98 VanDerWaalsContact C-N 3.26Å; G96-T98 PolarHBondContact O-N 3.39Å
99	K	71.2	Confident	74.5	Confident	110 Å²	110	52.2 Å²	52.2	48%	0.478	29%	0.293	S	S	.	.			trans	-53.3	130	173.3	-170.1	-175.6	176.7	-171	0	109.3	W74 A101 D147	W74-K99 HydrophobicContact CZ2-CB 3.94Å; W74-K99 HydrophobicContact CZ2-CG 4.27Å; K99-A101 PolarHBondContact O-N 2.87Å; K99-D147 WeakPolarHBondContact CE-OD2 3.46Å; K99-D147 IonicContact NZ-OD1 2.63Å; K99-D147 PolarHBondContact NZ-OD1 2.9Å; K99-D147 IonicContact NZ-OD2 3.37Å; K99-D147 PolarHBondContact NZ-OD2 3.02Å
100	P	72	Confident	74.5	Confident	17 Å²	17	51.9 Å²	51.9	11%	0.11	29%	0.292	C	S	.	.			trans	-49.6	139.5	174.1	-19.6	24.5	0	0	0	110.3	Y94 Q102 E105 I106	Y94-P100 HydrophobicContact CD1-CG 3.97Å; Y94-P100 HydrophobicContact CE1-CG 3.64Å; P100-Q102 PolarHBondContact O-N 3.41Å; P100-E105 HydrophobicContact CB-CB 4.38Å; P100-I106 HydrophobicContact CB-CG2 3.83Å; P100-I106 HydrophobicContact CG-CB 4.47Å; P100-I106 HydrophobicContact CG-CD1 4.22Å; P100-I106 HydrophobicContact CG-CG1 4.48Å; P100-I106 HydrophobicContact CG-CG2 3.23Å
101	A	70.8	Confident	74.6	Confident	91 Å²	91	49.7 Å²	49.7	75%	0.752	28%	0.282	S	S	*	.	S	Bend	trans	-63.6	-30.7	179.1	0	0	0	0	0	111	K99	K99-A101 PolarHBondContact O-N 2.87Å
102	Q	72.4	Confident	74.8	Confident	109 Å²	109	53 Å²	53	51%	0.509	31%	0.306	S	S	.	.	S	Bend	trans	-134.7	141.7	178.5	-56.3	-177	8.8	0	0	111.5	P100 N104 E105	P100-Q102 PolarHBondContact O-N 3.41Å; Q102-N104 PolarHBondContact O-N 3.28Å; Q102-E105 HydrophobicContact CB-CG 4.24Å; Q102-E105 WeakPolarHBondContact O-CB 2.87Å; Q102-E105 PolarHBondContact O-N 3.46Å; Q102-E105 VanDerWaalsContact O-N 3.1Å
103	F	74.4	Confident	75.1	Confident	16 Å²	16	54.7 Å²	54.7	7%	0.07	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-39.2	173.4	-178.9	-106.8	0	0	0	114.2	F53 I55 E105 I106 S107 I111 D147 V148	F53-F103 HydrophobicContact CD1-CE2 4.28Å; F53-F103 HydrophobicContact CD1-CZ 4.38Å; F53-F103 HydrophobicContact CD2-CZ 4.35Å; F53-F103 HydrophobicContact CE1-CD2 4.43Å; F53-F103 AromaticContact CE1-CE2 3.21Å; F53-F103 HydrophobicContact CE1-CE2 3.21Å; F53-F103 AromaticContact CE1-CZ 3.56Å; F53-F103 HydrophobicContact CE1-CZ 3.56Å; F53-F103 AromaticContact CE2-CE2 3.97Å; F53-F103 HydrophobicContact CE2-CE2 3.97Å; F53-F103 AromaticContact CE2-CZ 3.55Å; F53-F103 HydrophobicContact CE2-CZ 3.55Å; F53-F103 HydrophobicContact CZ-CD2 4.29Å; F53-F103 HydrophobicContact CZ-CE1 4.45Å; F53-F103 AromaticContact CZ-CE2 3.04Å; F53-F103 HydrophobicContact CZ-CE2 3.04Å; F53-F103 AromaticContact CZ-CZ 3.12Å; F53-F103 HydrophobicContact CZ-CZ 3.12Å; I55-F103 HydrophobicContact CD1-CD2 3.8Å; I55-F103 HydrophobicContact CD1-CE2 3.52Å; F103-E105 PolarHBondContact O-N 2.81Å; F103-I106 WeakPolarHBondContact O-CG1 2.82Å; F103-I106 PolarHBondContact O-N 2.74Å; F103-S107 WeakPolarHBondContact CD1-OG 2.91Å; F103-S107 WeakPolarHBondContact CE1-OG 3.21Å; F103-S107 WeakPolarHBondContact CZ-OG 3.35Å; F103-S107 PolarHBondContact O-N 3.32Å; F103-S107 PolarHBondContact O-OG 3.32Å; F103-I111 HydrophobicContact CE1-CD1 3.8Å; F103-D147 HydrophobicContact CB-CB 4.21Å; F103-D147 HydrophobicContact CD2-CB 4.22Å; F103-V148 HydrophobicContact CD2-CG2 4.09Å; F103-V148 HydrophobicContact CE1-CB 4.33Å; F103-V148 HydrophobicContact CE1-CG1 4.46Å; F103-V148 HydrophobicContact CE1-CG2 3.93Å; F103-V148 HydrophobicContact CE2-CB 4.46Å; F103-V148 HydrophobicContact CE2-CG2 3.41Å; F103-V148 VanDerWaalsContact CE2-CG2 3.41Å; F103-V148 HydrophobicContact CZ-CB 4.22Å; F103-V148 HydrophobicContact CZ-CG2 3.35Å
104	N	76.3	Confident	75.3	Confident	71 Å²	71	53 Å²	53	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-65.2	-23.5	-179	-82	-4.2	0	0	0	113.1	Q102 I106 A108 Y150	Q102-N104 PolarHBondContact O-N 3.28Å; N104-I106 PolarHBondContact O-N 2.77Å; N104-A108 WeakPolarHBondContact O-CB 3.31Å; N104-A108 PolarHBondContact O-N 2.75Å; N104-A108 VanDerWaalsContact O-N 3.08Å; N104-Y150 WeakPolarHBondContact CB-OH 3.4Å; N104-Y150 PolarHBondContact ND2-OH 3.48Å; N104-Y150 PolarHBondContact OD1-OH 2.94Å
105	E	72.2	Confident	75.6	Confident	90 Å²	90	55 Å²	55	42%	0.421	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-27.5	179.1	-69.2	174.5	-164.2	0	0	112.7	P100 Q102 F103	P100-E105 HydrophobicContact CB-CB 4.38Å; Q102-E105 HydrophobicContact CB-CG 4.24Å; Q102-E105 WeakPolarHBondContact O-CB 2.87Å; Q102-E105 PolarHBondContact O-N 3.46Å; Q102-E105 VanDerWaalsContact O-N 3.1Å; F103-E105 PolarHBondContact O-N 2.81Å
106	I	72.5	Confident	75.9	Confident	22 Å²	22	59.2 Å²	59.2	11%	0.113	33%	0.326	C	S	.	.	H	α-helix	trans	-105.9	-25.2	-176.6	60.3	170.4	0	0	0	113.4	I55 W74 Y94 P100 F103 N104	I55-I106 HydrophobicContact CD1-CD1 3.31Å; I55-I106 HydrophobicContact CD1-CG1 4.49Å; I55-I106 HydrophobicContact CG1-CD1 4.11Å; W74-I106 HydrophobicContact CB-CD1 4.39Å; Y94-I106 HydrophobicContact CD1-CB 4.29Å; Y94-I106 HydrophobicContact CD1-CG2 3.24Å; Y94-I106 HydrophobicContact CD2-CB 4.21Å; Y94-I106 HydrophobicContact CD2-CG2 3.55Å; Y94-I106 HydrophobicContact CE1-CG2 3.55Å; Y94-I106 HydrophobicContact CE2-CG2 3.79Å; Y94-I106 HydrophobicContact CG-CB 3.91Å; Y94-I106 HydrophobicContact CG-CG2 3.24Å; P100-I106 HydrophobicContact CB-CG2 3.83Å; P100-I106 HydrophobicContact CG-CB 4.47Å; P100-I106 HydrophobicContact CG-CD1 4.22Å; P100-I106 HydrophobicContact CG-CG1 4.48Å; P100-I106 HydrophobicContact CG-CG2 3.23Å; F103-I106 WeakPolarHBondContact O-CG1 2.82Å; F103-I106 PolarHBondContact O-N 2.74Å; N104-I106 PolarHBondContact O-N 2.77Å
107	S	74.7	Confident	76.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-112.5	-16.3	-168	64.3	0	0	0	0	113.9	F103 D109 T110 I111	F103-S107 WeakPolarHBondContact CD1-OG 2.91Å; F103-S107 WeakPolarHBondContact CE1-OG 3.21Å; F103-S107 WeakPolarHBondContact CZ-OG 3.35Å; F103-S107 PolarHBondContact O-N 3.32Å; F103-S107 PolarHBondContact O-OG 3.32Å; S107-D109 PolarHBondContact O-N 3.07Å; S107-T110 CarbonylContact O-C 3.57Å; S107-T110 PolarHBondContact O-N 3.45Å; S107-T110 VanDerWaalsContact O-N 3.08Å; S107-I111 WeakPolarHBondContact O-CB 3.42Å; S107-I111 VanDerWaalsContact O-CG1 3.28Å; S107-I111 WeakPolarHBondContact O-CG1 3.35Å; S107-I111 PolarHBondContact O-N 2.93Å; S107-I111 WeakPolarHBondContact OG-CD1 3.34Å
108	A	78.5	Confident	76.6	Confident	45 Å²	45	57.8 Å²	57.8	37%	0.372	32%	0.317	S	S	.	.	H	α-helix	trans	-54.8	-48.9	-173.3	0	0	0	0	0	113	N104 T110 I111 S112	N104-A108 WeakPolarHBondContact O-CB 3.31Å; N104-A108 PolarHBondContact O-N 2.75Å; N104-A108 VanDerWaalsContact O-N 3.08Å; A108-T110 VanDerWaalsContact C-N 3.33Å; A108-T110 PolarHBondContact O-N 2.74Å; A108-I111 PolarHBondContact O-N 3.5Å; A108-S112 WeakPolarHBondContact O-CB 3.1Å; A108-S112 PolarHBondContact O-N 3.28Å
109	D	77.5	Confident	77.1	Confident	66 Å²	66	60.5 Å²	60.5	35%	0.353	32%	0.323	S	S	.	.	H	α-helix	trans	-59.8	-45.5	178.6	-62.5	-8.2	0	0	0	110.8	R14 T16 S107 S112 E113	R14-D109 IonicContact CZ-OD2 3.78Å; R14-D109 IonicContact NH1-OD1 3.55Å; R14-D109 IonicContact NH1-OD2 2.72Å; R14-D109 PolarHBondContact NH1-OD2 2.55Å; T16-D109 HydrophobicContact CG2-CB 4.21Å; S107-D109 PolarHBondContact O-N 3.07Å; D109-S112 PolarHBondContact O-N 3Å; D109-E113 WeakPolarHBondContact O-CG 3.27Å; D109-E113 PolarHBondContact O-N 3.06Å
110	T	77.8	Confident	77.7	Confident	4 Å²	4	59.2 Å²	59.2	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-67.6	-39.6	-179.7	-57.7	0	0	0	0	112.1	V76 I91 S107 A108 S112 E113 I114	V76-T110 HydrophobicContact CG1-CG2 4.06Å; I91-T110 HydrophobicContact CG2-CG2 3.68Å; S107-T110 CarbonylContact O-C 3.57Å; S107-T110 PolarHBondContact O-N 3.45Å; S107-T110 VanDerWaalsContact O-N 3.08Å; A108-T110 VanDerWaalsContact C-N 3.33Å; A108-T110 PolarHBondContact O-N 2.74Å; T110-S112 VanDerWaalsContact C-N 3.35Å; T110-E113 PolarHBondContact O-N 3Å; T110-I114 HydrophobicContact CG2-CD1 3.79Å; T110-I114 HydrophobicContact CG2-CG1 4.49Å; T110-I114 WeakPolarHBondContact O-CB 3.27Å; T110-I114 VanDerWaalsContact O-CD1 3.31Å; T110-I114 WeakPolarHBondContact O-CD1 3.32Å; T110-I114 WeakPolarHBondContact O-CG1 3.23Å; T110-I114 PolarHBondContact O-N 2.98Å
111	I	79.1	Confident	78.1	Confident	50 Å²	50	58.9 Å²	58.9	26%	0.256	32%	0.324	S	S	.	.	H	α-helix	trans	-66.1	-41.4	176.6	-69.3	166.8	0	0	0	110.1	F103 S107 A108 I114 K115	F103-I111 HydrophobicContact CE1-CD1 3.8Å; S107-I111 WeakPolarHBondContact O-CB 3.42Å; S107-I111 VanDerWaalsContact O-CG1 3.28Å; S107-I111 WeakPolarHBondContact O-CG1 3.35Å; S107-I111 PolarHBondContact O-N 2.93Å; S107-I111 WeakPolarHBondContact OG-CD1 3.34Å; A108-I111 PolarHBondContact O-N 3.5Å; I111-I114 PolarHBondContact O-N 3.34Å; I111-K115 HydrophobicContact CG2-CD 4.2Å; I111-K115 HydrophobicContact CG2-CG 4.44Å; I111-K115 WeakPolarHBondContact O-CB 3.35Å; I111-K115 WeakPolarHBondContact O-CG 3.46Å; I111-K115 PolarHBondContact O-N 3.06Å
112	S	81.1	Confident	78.6	Confident	72 Å²	72	56.1 Å²	56.1	50%	0.503	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-47.9	175.8	-165	0	0	0	0	111.1	A108 D109 T110 I114 K115 E116	A108-S112 WeakPolarHBondContact O-CB 3.1Å; A108-S112 PolarHBondContact O-N 3.28Å; D109-S112 PolarHBondContact O-N 3Å; T110-S112 VanDerWaalsContact C-N 3.35Å; S112-I114 VanDerWaalsContact C-N 3.35Å; S112-I114 PolarHBondContact O-N 3Å; S112-K115 PolarHBondContact O-N 3.42Å; S112-E116 WeakPolarHBondContact O-CB 3.2Å; S112-E116 PolarHBondContact O-N 3.45Å
113	E	80.7	Confident	78.8	Confident	39 Å²	39	54.6 Å²	54.6	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-43.9	175.7	-74.8	-173.6	-173.1	0	0	111.7	L19 D109 T110 K115 E116 M117	L19-E113 PolarHBondContact N-OE2 3.13Å; D109-E113 WeakPolarHBondContact O-CG 3.27Å; D109-E113 PolarHBondContact O-N 3.06Å; T110-E113 PolarHBondContact O-N 3Å; E113-K115 PolarHBondContact O-N 3.49Å; E113-E116 PolarHBondContact O-N 2.88Å; E113-M117 VanDerWaalsContact O-CB 3.26Å; E113-M117 WeakPolarHBondContact O-CB 3.44Å; E113-M117 WeakPolarHBondContact O-CG 3.42Å; E113-M117 PolarHBondContact O-N 3.26Å
114	I	79.5	Confident	79	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.082	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-40.8	178.9	-68.5	160.1	0	0	0	111.5	L19 N52 T110 I111 S112 M117 T118 L135	L19-I114 HydrophobicContact CD2-CG1 4.18Å; N52-I114 WeakPolarHBondContact ND2-CD1 3.49Å; T110-I114 HydrophobicContact CG2-CD1 3.79Å; T110-I114 HydrophobicContact CG2-CG1 4.49Å; T110-I114 WeakPolarHBondContact O-CB 3.27Å; T110-I114 VanDerWaalsContact O-CD1 3.31Å; T110-I114 WeakPolarHBondContact O-CD1 3.32Å; T110-I114 WeakPolarHBondContact O-CG1 3.23Å; T110-I114 PolarHBondContact O-N 2.98Å; I111-I114 PolarHBondContact O-N 3.34Å; S112-I114 VanDerWaalsContact C-N 3.35Å; S112-I114 PolarHBondContact O-N 3Å; I114-M117 PolarHBondContact O-N 3.28Å; I114-T118 VanDerWaalsContact O-CB 3.32Å; I114-T118 WeakPolarHBondContact O-CB 3.3Å; I114-T118 PolarHBondContact O-N 3.26Å; I114-T118 PolarHBondContact O-OG1 3.24Å; I114-L135 HydrophobicContact CG2-CD1 4.48Å; I114-L135 HydrophobicContact CG2-CD2 4.28Å
115	K	82.5	Confident	79	Confident	107 Å²	107	57.2 Å²	57.2	47%	0.465	31%	0.311	S	S	.	.	H	α-helix	trans	-61.8	-53.1	177	-78.1	178.5	178.2	-176.5	0	110.5	I111 S112 E113 M117 T118 E119	I111-K115 HydrophobicContact CG2-CD 4.2Å; I111-K115 HydrophobicContact CG2-CG 4.44Å; I111-K115 WeakPolarHBondContact O-CB 3.35Å; I111-K115 WeakPolarHBondContact O-CG 3.46Å; I111-K115 PolarHBondContact O-N 3.06Å; S112-K115 PolarHBondContact O-N 3.42Å; E113-K115 PolarHBondContact O-N 3.49Å; K115-M117 VanDerWaalsContact C-N 3.3Å; K115-M117 PolarHBondContact O-N 3.29Å; K115-T118 PolarHBondContact O-N 3.1Å; K115-T118 VanDerWaalsContact O-N 3.08Å; K115-E119 WeakPolarHBondContact O-CG 3.38Å; K115-E119 PolarHBondContact O-N 2.79Å
116	E	81.6	Confident	79.2	Confident	115 Å²	115	61.6 Å²	61.6	54%	0.537	32%	0.324	S	S	.	.	H	α-helix	trans	-54	-49.4	176.7	-176.4	-177.2	172.1	0	0	110.6	S112 E113 T118 E119 T120	S112-E116 WeakPolarHBondContact O-CB 3.2Å; S112-E116 PolarHBondContact O-N 3.45Å; E113-E116 PolarHBondContact O-N 2.88Å; E116-T118 VanDerWaalsContact C-N 3.31Å; E116-T118 PolarHBondContact O-N 2.99Å; E116-E119 PolarHBondContact O-N 3.32Å; E116-E119 VanDerWaalsContact O-N 3.08Å; E116-T120 HydrophobicContact CG-CG2 4.27Å; E116-T120 PolarHBondContact O-N 3.25Å; E116-T120 PolarHBondContact O-OG1 2.81Å
117	M	79.7	Confident	79.5	Confident	12 Å²	12	63.6 Å²	63.6	6%	0.059	33%	0.332	C	S	.	.	H	α-helix	trans	-64.5	-31.8	179.6	-74.1	177.5	61.1	0	0	114.3	L19 L23 E113 I114 K115 E119 G121 L122 I133	L19-M117 HydrophobicContact CB-CE 4.32Å; L19-M117 HydrophobicContact CB-SD 3.71Å; L19-M117 HydrophobicContact CD2-CE 3.59Å; L19-M117 HydrophobicContact CD2-SD 3.61Å; L19-M117 HydrophobicContact CG-CE 4.19Å; L19-M117 HydrophobicContact CG-SD 4.11Å; L23-M117 HydrophobicContact CD1-CE 3.8Å; E113-M117 VanDerWaalsContact O-CB 3.26Å; E113-M117 WeakPolarHBondContact O-CB 3.44Å; E113-M117 WeakPolarHBondContact O-CG 3.42Å; E113-M117 PolarHBondContact O-N 3.26Å; I114-M117 PolarHBondContact O-N 3.28Å; K115-M117 VanDerWaalsContact C-N 3.3Å; K115-M117 PolarHBondContact O-N 3.29Å; M117-E119 VanDerWaalsContact C-N 3.34Å; M117-G121 WeakPolarHBondContact O-CA 3.47Å; M117-G121 PolarHBondContact O-N 2.84Å; M117-L122 HydrophobicContact CE-CD1 3.72Å; M117-L122 HydrophobicContact CE-CD2 3.67Å; M117-L122 HydrophobicContact CE-CG 3.77Å; M117-L122 HydrophobicContact CG-CD2 4.36Å; M117-L122 HydrophobicContact SD-CD2 4.47Å; M117-I133 HydrophobicContact CB-CD1 4.2Å; M117-I133 HydrophobicContact CE-CD1 3.31Å
118	T	81.7	Confident	79.8	Confident	56 Å²	56	70.3 Å²	70.3	34%	0.344	37%	0.368	S	S	.	.	H	α-helix	trans	-73.1	-31.6	175.8	-56.1	0	0	0	0	110.7	I114 K115 E116 I133	I114-T118 VanDerWaalsContact O-CB 3.32Å; I114-T118 WeakPolarHBondContact O-CB 3.3Å; I114-T118 PolarHBondContact O-N 3.26Å; I114-T118 PolarHBondContact O-OG1 3.24Å; K115-T118 PolarHBondContact O-N 3.1Å; K115-T118 VanDerWaalsContact O-N 3.08Å; E116-T118 VanDerWaalsContact C-N 3.31Å; E116-T118 PolarHBondContact O-N 2.99Å; T118-I133 WeakPolarHBondContact CG2-O 3.48Å
119	E	83.4	Confident	79.8	Confident	163 Å²	163	70.3 Å²	70.3	76%	0.762	36%	0.359	S	S	*	.	H	α-helix	trans	-81	-46.6	178.6	-70.7	170.7	-169	0	0	112.6	K115 E116 M117	K115-E119 WeakPolarHBondContact O-CG 3.38Å; K115-E119 PolarHBondContact O-N 2.79Å; E116-E119 PolarHBondContact O-N 3.32Å; E116-E119 VanDerWaalsContact O-N 3.08Å; M117-E119 VanDerWaalsContact C-N 3.34Å
120	T	83.5	Confident	79.9	Confident	83 Å²	83	74.5 Å²	74.5	51%	0.509	37%	0.371	S	S	.	.	H	α-helix	trans	-91.2	-21.5	-175.5	65.9	0	0	0	0	113.5	E116	E116-T120 HydrophobicContact CG-CG2 4.27Å; E116-T120 PolarHBondContact O-N 3.25Å; E116-T120 PolarHBondContact O-OG1 2.81Å
121	G	80.8	Confident	80	Confident	10 Å²	10	74.4 Å²	74.4	10%	0.103	37%	0.371	C	S	.	.			trans	68.8	-172.6	-164	0	0	0	0	0	112.8	M117 I131	M117-G121 WeakPolarHBondContact O-CA 3.47Å; M117-G121 PolarHBondContact O-N 2.84Å; G121-I131 CarbonylContact C-O 3.59Å; G121-I131 WeakPolarHBondContact CA-O 3.5Å
122	L	79.7	Confident	80.1	Confident	32 Å²	32	74.3 Å²	74.3	17%	0.168	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.2	173.7	-76.7	-179.5	0	0	0	111.5	L23 M117 S124 Y130 I131 I133	L23-L122 HydrophobicContact CB-CD1 4.01Å; L23-L122 HydrophobicContact CD1-CD1 3.82Å; M117-L122 HydrophobicContact CE-CD1 3.72Å; M117-L122 HydrophobicContact CE-CD2 3.67Å; M117-L122 HydrophobicContact CE-CG 3.77Å; M117-L122 HydrophobicContact CG-CD2 4.36Å; M117-L122 HydrophobicContact SD-CD2 4.47Å; L122-S124 PolarHBondContact O-N 3.5Å; L122-Y130 CarbonylContact O-C 3.45Å; L122-Y130 WeakPolarHBondContact O-CA 3.18Å; L122-I131 PolarHBondContact N-O 2.85Å; L122-I131 PolarHBondContact O-N 3.02Å; L122-I133 HydrophobicContact CB-CD1 4.36Å; L122-I133 HydrophobicContact CD1-CD1 3.5Å; L122-I133 VanDerWaalsContact CD1-CD1 3.5Å; L122-I133 HydrophobicContact CG-CD1 3.48Å; L122-I133 VanDerWaalsContact CG-CD1 3.48Å; L122-I133 HydrophobicContact CG-CG1 4.41Å
123	L	78.4	Confident	80.1	Confident	78 Å²	78	71.5 Å²	71.5	41%	0.408	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	112.2	169.1	-179.2	61.4	0	0	0	110.5	V125 Y130	L123-V125 PolarHBondContact O-N 3.5Å; L123-Y130 HydrophobicContact CB-CD1 4.21Å; L123-Y130 HydrophobicContact CB-CE1 3.86Å; L123-Y130 HydrophobicContact CD1-CD2 4.02Å; L123-Y130 HydrophobicContact CD1-CE1 4.33Å; L123-Y130 HydrophobicContact CD1-CE2 3.82Å; L123-Y130 HydrophobicContact CD1-CG 4.36Å
124	S	77.3	Confident	80.1	Confident	14 Å²	14	75.2 Å²	75.2	10%	0.098	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	96.7	166.2	-177.9	0	0	0	0	109.9	L122 R126 F127 N128 K129	L122-S124 PolarHBondContact O-N 3.5Å; S124-R126 PolarHBondContact O-N 2.97Å; S124-F127 CarbonylContact O-C 3.56Å; S124-F127 PolarHBondContact O-N 3.47Å; S124-F127 VanDerWaalsContact O-N 3.1Å; S124-F127 WeakPolarHBondContact OG-CD2 3.43Å; S124-N128 WeakPolarHBondContact O-CA 3.09Å; S124-N128 PolarHBondContact O-N 2.95Å; S124-K129 WeakPolarHBondContact CB-O 3.04Å; S124-K129 PolarHBondContact N-O 3.05Å; S124-K129 PolarHBondContact O-N 2.83Å
125	V	77.1	Confident	80.3	Confident	128 Å²	128	77.2 Å²	77.2	78%	0.776	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-37.2	176.9	-179.3	0	0	0	0	111.6	L123 F127 N128	L123-V125 PolarHBondContact O-N 3.5Å; V125-F127 VanDerWaalsContact C-N 3.29Å; V125-F127 PolarHBondContact O-N 3.41Å; V125-N128 PolarHBondContact O-N 3.38Å
126	R	76.5	Confident	80.2	Confident	181 Å²	181	74.4 Å²	74.4	68%	0.683	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.6	-179.3	-176	174.4	-176.3	-179.8	-1.2	113.4	T39 S124	T39-R126 VanDerWaalsContact CG2-CZ 3.42Å; T39-R126 PolarHBondContact OG1-NH1 3.34Å; S124-R126 PolarHBondContact O-N 2.97Å
127	F	77.7	Confident	80	Confident	65 Å²	65	69.5 Å²	69.5	29%	0.285	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	3.4	-176.5	-62.1	-63.8	0	0	0	112.8	T39 L42 R43 S124 V125 K129	T39-F127 HydrophobicContact CG2-CE2 4.33Å; T39-F127 HydrophobicContact CG2-CZ 3.71Å; T39-F127 WeakPolarHBondContact O-CE2 3.49Å; T39-F127 WeakPolarHBondContact O-CZ 3.49Å; L42-F127 HydrophobicContact CB-CD2 3.75Å; L42-F127 HydrophobicContact CB-CE2 3.71Å; R43-F127 HydrophobicContact CB-CD1 4.43Å; R43-F127 HydrophobicContact CB-CE1 3.94Å; R43-F127 HydrophobicContact CB-CE2 4.35Å; R43-F127 HydrophobicContact CB-CZ 3.88Å; R43-F127 HydrophobicContact CG-CE1 4.16Å; S124-F127 CarbonylContact O-C 3.56Å; S124-F127 PolarHBondContact O-N 3.47Å; S124-F127 VanDerWaalsContact O-N 3.1Å; S124-F127 WeakPolarHBondContact OG-CD2 3.43Å; V125-F127 VanDerWaalsContact C-N 3.29Å; V125-F127 PolarHBondContact O-N 3.41Å; F127-K129 HydrophobicContact CB-CB 4.19Å; F127-K129 PolarHBondContact O-N 3.5Å
128	N	80.8	Confident	80.1	Confident	140 Å²	140	70.1 Å²	70.1	75%	0.749	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.6	47.4	-172	-165.2	38.8	0	0	0	112.9	S124 V125	S124-N128 WeakPolarHBondContact O-CA 3.09Å; S124-N128 PolarHBondContact O-N 2.95Å; V125-N128 PolarHBondContact O-N 3.38Å
129	K	79.1	Confident	79.9	Confident	46 Å²	46	69.5 Å²	69.5	20%	0.2	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.2	-169	-175	179.3	-177.6	-174.9	0	111.1	H45 D46 S124 F127	H45-K129 PolarHBondContact O-NZ 3.13Å; D46-K129 WeakPolarHBondContact OD1-CE 3.38Å; D46-K129 IonicContact OD1-NZ 2.86Å; D46-K129 PolarHBondContact OD1-NZ 2.95Å; D46-K129 IonicContact OD2-NZ 2.8Å; D46-K129 PolarHBondContact OD2-NZ 3.29Å; S124-K129 WeakPolarHBondContact CB-O 3.04Å; S124-K129 PolarHBondContact N-O 3.05Å; S124-K129 PolarHBondContact O-N 2.83Å; F127-K129 HydrophobicContact CB-CB 4.19Å; F127-K129 PolarHBondContact O-N 3.5Å
130	Y	79.2	Confident	79.4	Confident	153 Å²	153	62.8 Å²	62.8	60%	0.6	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	134.6	169.3	-76.8	-87.5	0	0	0	110.6	L122 L123	L122-Y130 CarbonylContact O-C 3.45Å; L122-Y130 WeakPolarHBondContact O-CA 3.18Å; L123-Y130 HydrophobicContact CB-CD1 4.21Å; L123-Y130 HydrophobicContact CB-CE1 3.86Å; L123-Y130 HydrophobicContact CD1-CD2 4.02Å; L123-Y130 HydrophobicContact CD1-CE1 4.33Å; L123-Y130 HydrophobicContact CD1-CE2 3.82Å; L123-Y130 HydrophobicContact CD1-CG 4.36Å
131	I	79.5	Confident	79	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.015	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.5	177.3	-61.9	144.1	0	0	0	107.2	L42 D46 L48 G121 L122	L42-I131 HydrophobicContact CB-CD1 4.4Å; L42-I131 HydrophobicContact CD2-CD1 3.19Å; L42-I131 HydrophobicContact CD2-CG1 4.25Å; L42-I131 HydrophobicContact CG-CD1 4.28Å; D46-I131 CarbonylContact O-C 3.01Å; L48-I131 HydrophobicContact CB-CG2 4.25Å; L48-I131 HydrophobicContact CD1-CG2 3.75Å; L48-I131 HydrophobicContact CG-CG2 3.81Å; G121-I131 CarbonylContact C-O 3.59Å; G121-I131 WeakPolarHBondContact CA-O 3.5Å; L122-I131 PolarHBondContact N-O 2.85Å; L122-I131 PolarHBondContact O-N 3.02Å
132	A	82	Confident	78.5	Confident	48 Å²	48	64 Å²	64	40%	0.397	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	135.8	172.9	0	0	0	0	0	109.7	D46 L47 L48	D46-A132 WeakPolarHBondContact O-CB 3.39Å; D46-A132 PolarHBondContact O-N 3.04Å; L47-A132 CarbonylContact C-O 3.57Å; L47-A132 WeakPolarHBondContact CA-O 3.38Å; L47-A132 HydrophobicContact CD1-CB 3.87Å; L48-A132 PolarHBondContact N-O 3.43Å
133	I	80.3	Confident	78.2	Confident	12 Å²	12	64.6 Å²	64.6	6%	0.062	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.8	173.3	-65.6	-173.2	0	0	0	108.3	L23 L48 M117 T118 L122	L23-I133 HydrophobicContact CD1-CD1 4.39Å; L48-I133 HydrophobicContact CB-CG1 4.28Å; L48-I133 CarbonylContact O-C 3.59Å; L48-I133 WeakPolarHBondContact O-CA 3.44Å; M117-I133 HydrophobicContact CB-CD1 4.2Å; M117-I133 HydrophobicContact CE-CD1 3.31Å; T118-I133 WeakPolarHBondContact CG2-O 3.48Å; L122-I133 HydrophobicContact CB-CD1 4.36Å; L122-I133 HydrophobicContact CD1-CD1 3.5Å; L122-I133 VanDerWaalsContact CD1-CD1 3.5Å; L122-I133 HydrophobicContact CG-CD1 3.48Å; L122-I133 VanDerWaalsContact CG-CD1 3.48Å; L122-I133 HydrophobicContact CG-CG1 4.41Å
134	K	81.9	Confident	78	Confident	118 Å²	118	61 Å²	61	51%	0.513	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.9	174	-176.3	172.3	-178	171.3	0	109.8	L47 L48 S49 F50 T136	L47-K134 HydrophobicContact CD1-CB 4.37Å; L48-K134 PolarHBondContact O-N 2.78Å; S49-K134 CarbonylContact C-O 3.56Å; S49-K134 WeakPolarHBondContact CA-O 3.3Å; F50-K134 PolarHBondContact N-O 3.24Å; K134-T136 PolarHBondContact O-N 3.19Å
135	L	82.7	Confident	78.1	Confident	57 Å²	57	62.4 Å²	62.4	30%	0.298	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	110.7	165.3	-176	65.7	0	0	0	108.8	F50 N52 I114 V138	F50-L135 CarbonylContact O-C 3.54Å; N52-L135 HydrophobicContact CB-CD1 4.25Å; I114-L135 HydrophobicContact CG2-CD1 4.48Å; I114-L135 HydrophobicContact CG2-CD2 4.28Å; L135-V138 HydrophobicContact CD2-CG2 4.03Å
136	T	81.1	Confident	78	Confident	49 Å²	49	56.7 Å²	56.7	30%	0.301	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-35.7	-176.6	18.4	0	0	0	0	114	F50 K134	F50-T136 VanDerWaalsContact C-OG1 3.31Å; F50-T136 PolarHBondContact N-OG1 2.71Å; F50-T136 PolarHBondContact O-N 3.14Å; F50-T136 PolarHBondContact O-OG1 3.02Å; K134-T136 PolarHBondContact O-N 3.19Å
137	A	78.3	Confident	77.9	Confident	11 Å²	11	50.3 Å²	50.3	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	142.3	-177.1	0	0	0	0	0	110.6	S51 N52 I139 T195	S51-A137 VanDerWaalsContact CA-O 3.27Å; S51-A137 WeakPolarHBondContact CA-O 3.33Å; N52-A137 PolarHBondContact N-O 3.41Å; A137-I139 HydrophobicContact CB-CG1 4.39Å; A137-T195 HydrophobicContact CB-CG2 3.6Å
138	V	80.4	Confident	77.8	Confident	25 Å²	25	49 Å²	49	15%	0.152	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-100.2	124	160	179.8	0	0	0	0	108.2	N52 F53 L135 V148 V196	N52-V138 WeakPolarHBondContact O-CA 3.46Å; N52-V138 WeakPolarHBondContact O-CG1 3.17Å; F53-V138 HydrophobicContact CB-CG1 3.75Å; F53-V138 HydrophobicContact CG-CG1 4.49Å; L135-V138 HydrophobicContact CD2-CG2 4.03Å; V138-V148 HydrophobicContact CG1-CG1 4.37Å; V138-V196 HydrophobicContact CB-CB 4.24Å; V138-V196 WeakPolarHBondContact O-CB 3.3Å; V138-V196 VanDerWaalsContact O-CG2 3.3Å; V138-V196 WeakPolarHBondContact O-CG2 3.45Å; V138-V196 PolarHBondContact O-N 2.76Å
139	I	77.7	Confident	77.5	Confident	44 Å²	44	46.8 Å²	46.8	23%	0.226	24%	0.242	C	C	.	.			trans	-109.6	130.2	-177.3	-62.3	177.6	0	0	0	107	F53 A137 F193	F53-I139 CarbonylContact C-O 3.44Å; F53-I139 WeakPolarHBondContact CA-O 3.34Å; F53-I139 WeakPolarHBondContact CB-O 3.32Å; F53-I139 CarbonylContact O-C 3.59Å; A137-I139 HydrophobicContact CB-CG1 4.39Å; I139-F193 HydrophobicContact CD1-CD1 4.38Å; I139-F193 HydrophobicContact CG2-CD1 3.67Å; I139-F193 HydrophobicContact CG2-CE1 4.42Å
140	C	74	Confident	77.3	Confident	21 Å²	21	51 Å²	51	14%	0.142	26%	0.258	C	S	.	.			trans	-156.2	149.8	177.2	33.2	0	0	0	0	108.9	A144 R145	C140-A144 HydrophobicContact CB-CB 3.87Å; C140-R145 HydrophobicContact CB-CB 4.11Å; C140-R145 WeakPolarHBondContact SG-CA 3.39Å; C140-R145 WeakPolarHBondContact SG-CB 3.34Å
141	D	74.9	Confident	77.1	Confident	90 Å²	90	46.9 Å²	46.9	48%	0.481	25%	0.249	S	C	.	.			trans	-69.2	174.8	166.8	70.3	-7.6	0	0	0	110.1	A144 R145	D141-A144 PolarHBondContact O-N 3.43Å; D141-A144 WeakPolarHBondContact OD1-CB 3.04Å; D141-A144 PolarHBondContact OD1-N 3.4Å; D141-R145 WeakPolarHBondContact O-CB 3.14Å; D141-R145 PolarHBondContact O-N 3.21Å
142	A	70.1	Confident	77	Confident	30 Å²	30	50.6 Å²	50.6	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-42.9	-174.1	0	0	0	0	0	113.9	S146 H154	A142-S146 PolarHBondContact O-N 2.86Å; A142-S146 PolarHBondContact O-OG 3.47Å; A142-H154 HydrophobicContact CB-CB 3.76Å
143	P	74.1	Confident	76.7	Confident	44 Å²	44	51.1 Å²	51.1	29%	0.286	27%	0.267	S	S	.	.	H	α-helix	trans	-65	-45.7	173.3	-19	29.2	0	0	0	114.3	R145 S146 D147	P143-R145 PolarHBondContact O-N 2.98Å; P143-S146 PolarHBondContact O-N 2.98Å; P143-S146 PolarHBondContact O-OG 3.22Å; P143-D147 PolarHBondContact O-N 3.35Å
144	A	74.5	Confident	76.3	Confident	3 Å²	3	53.7 Å²	53.7	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-68.4	-29.7	179.2	0	0	0	0	0	111.1	I55 C140 D141 D147 V148	I55-A144 HydrophobicContact CB-CB 4.22Å; C140-A144 HydrophobicContact CB-CB 3.87Å; D141-A144 PolarHBondContact O-N 3.43Å; D141-A144 WeakPolarHBondContact OD1-CB 3.04Å; D141-A144 PolarHBondContact OD1-N 3.4Å; A144-D147 PolarHBondContact O-N 3.35Å; A144-V148 WeakPolarHBondContact O-CB 3.05Å; A144-V148 WeakPolarHBondContact O-CG2 3.42Å; A144-V148 PolarHBondContact O-N 3.12Å
145	R	77.9	Confident	76.1	Confident	42 Å²	42	51.8 Å²	51.8	16%	0.158	28%	0.275	C	S	.	.	H	α-helix	trans	-67	-39.6	176.9	-177.2	166.9	42.9	150.5	2.1	112.7	C140 D141 P143 D147 V148 R149 D161	C140-R145 HydrophobicContact CB-CB 4.11Å; C140-R145 WeakPolarHBondContact SG-CA 3.39Å; C140-R145 WeakPolarHBondContact SG-CB 3.34Å; D141-R145 WeakPolarHBondContact O-CB 3.14Å; D141-R145 PolarHBondContact O-N 3.21Å; P143-R145 PolarHBondContact O-N 2.98Å; R145-D147 VanDerWaalsContact C-N 3.34Å; R145-V148 PolarHBondContact O-N 3.43Å; R145-R149 HydrophobicContact CG-CG 4.48Å; R145-R149 VanDerWaalsContact O-CB 3.3Å; R145-R149 WeakPolarHBondContact O-CB 3.09Å; R145-R149 WeakPolarHBondContact O-CG 3.44Å; R145-R149 PolarHBondContact O-N 3.19Å; R145-D161 WeakPolarHBondContact CD-OD2 3.21Å; R145-D161 IonicContact CZ-OD1 3.84Å; R145-D161 IonicContact CZ-OD2 3.65Å; R145-D161 IonicContact NE-OD2 2.8Å; R145-D161 IonicContact NH1-OD1 2.66Å; R145-D161 PolarHBondContact NH1-OD1 2.98Å; R145-D161 IonicContact NH1-OD2 3.48Å; R145-D161 PolarHBondContact NH1-OD2 3.32Å; R145-D161 IonicContact NH2-OD1 3.45Å
146	S	74.6	Confident	75.7	Confident	8 Å²	8	49.9 Å²	49.9	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-40.6	174.7	51.1	0	0	0	0	111	A142 P143 R149 Y150 T151 D153	A142-S146 PolarHBondContact O-N 2.86Å; A142-S146 PolarHBondContact O-OG 3.47Å; P143-S146 PolarHBondContact O-N 2.98Å; P143-S146 PolarHBondContact O-OG 3.22Å; S146-R149 PolarHBondContact O-N 3.46Å; S146-Y150 WeakPolarHBondContact O-CA 3.5Å; S146-Y150 PolarHBondContact O-N 3.38Å; S146-T151 WeakPolarHBondContact CA-OG1 3.43Å; S146-T151 PolarHBondContact O-N 3.36Å; S146-D153 PolarHBondContact OG-OD1 2.9Å
147	D	74.8	Confident	75.6	Confident	47 Å²	47	54.9 Å²	54.9	25%	0.251	29%	0.286	S	S	.	.	H	α-helix	trans	-61.1	-47.3	173.6	-68.5	-26	0	0	0	112.3	K99 F103 P143 A144 R145 R149 Y150	K99-D147 WeakPolarHBondContact CE-OD2 3.46Å; K99-D147 IonicContact NZ-OD1 2.63Å; K99-D147 PolarHBondContact NZ-OD1 2.9Å; K99-D147 IonicContact NZ-OD2 3.37Å; K99-D147 PolarHBondContact NZ-OD2 3.02Å; F103-D147 HydrophobicContact CB-CB 4.21Å; F103-D147 HydrophobicContact CD2-CB 4.22Å; P143-D147 PolarHBondContact O-N 3.35Å; A144-D147 PolarHBondContact O-N 3.35Å; R145-D147 VanDerWaalsContact C-N 3.34Å; D147-R149 PolarHBondContact O-N 2.63Å; D147-Y150 PolarHBondContact O-N 2.8Å
148	V	75.4	Confident	75.6	Confident	38 Å²	38	57.2 Å²	57.2	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-41.6	178.8	170.6	0	0	0	0	111.4	F53 F103 V138 A144 R145	F53-V148 HydrophobicContact CD1-CG2 4.1Å; F53-V148 HydrophobicContact CE1-CG2 4.08Å; F103-V148 HydrophobicContact CD2-CG2 4.09Å; F103-V148 HydrophobicContact CE1-CB 4.33Å; F103-V148 HydrophobicContact CE1-CG1 4.46Å; F103-V148 HydrophobicContact CE1-CG2 3.93Å; F103-V148 HydrophobicContact CE2-CB 4.46Å; F103-V148 HydrophobicContact CE2-CG2 3.41Å; F103-V148 VanDerWaalsContact CE2-CG2 3.41Å; F103-V148 HydrophobicContact CZ-CB 4.22Å; F103-V148 HydrophobicContact CZ-CG2 3.35Å; V138-V148 HydrophobicContact CG1-CG1 4.37Å; A144-V148 WeakPolarHBondContact O-CB 3.05Å; A144-V148 WeakPolarHBondContact O-CG2 3.42Å; A144-V148 PolarHBondContact O-N 3.12Å; R145-V148 PolarHBondContact O-N 3.43Å
149	R	75.9	Confident	75.3	Confident	93 Å²	93	56.6 Å²	56.6	35%	0.351	30%	0.303	S	S	.	.	H	α-helix	trans	-86.6	-5.9	-175.6	-69.6	-174.8	174.8	-171.3	2.1	113.9	R145 S146 D147 T151 D161	R145-R149 HydrophobicContact CG-CG 4.48Å; R145-R149 VanDerWaalsContact O-CB 3.3Å; R145-R149 WeakPolarHBondContact O-CB 3.09Å; R145-R149 WeakPolarHBondContact O-CG 3.44Å; R145-R149 PolarHBondContact O-N 3.19Å; S146-R149 PolarHBondContact O-N 3.46Å; D147-R149 PolarHBondContact O-N 2.63Å; R149-T151 HydrophobicContact CB-CG2 3.76Å; R149-T151 PolarHBondContact O-N 3.01Å; R149-D161 IonicContact CZ-OD2 3.53Å; R149-D161 PolarHBondContact NH1-O 3.44Å; R149-D161 VanDerWaalsContact NH1-O 3.13Å; R149-D161 IonicContact NH1-OD2 3.05Å; R149-D161 PolarHBondContact NH1-OD2 2.71Å; R149-D161 IonicContact NH2-OD2 3.72Å
150	Y	74.6	Confident	75	Confident	134 Å²	134	55.5 Å²	55.5	53%	0.525	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	38.2	-169.7	-70.1	-89.8	0	0	0	112.7	N104 S146 D147	N104-Y150 WeakPolarHBondContact CB-OH 3.4Å; N104-Y150 PolarHBondContact ND2-OH 3.48Å; N104-Y150 PolarHBondContact OD1-OH 2.94Å; S146-Y150 WeakPolarHBondContact O-CA 3.5Å; S146-Y150 PolarHBondContact O-N 3.38Å; D147-Y150 PolarHBondContact O-N 2.8Å
151	T	75.2	Confident	74.7	Confident	67 Å²	67	56.6 Å²	56.6	41%	0.411	30%	0.304	S	S	.	.			trans	-105.9	164.1	178.3	61.4	0	0	0	0	111.2	S146 R149 D153	S146-T151 WeakPolarHBondContact CA-OG1 3.43Å; S146-T151 PolarHBondContact O-N 3.36Å; R149-T151 HydrophobicContact CB-CG2 3.76Å; R149-T151 PolarHBondContact O-N 3.01Å; T151-D153 PolarHBondContact O-N 3.14Å
152	V	77.1	Confident	74.4	Confident	81 Å²	81	58.1 Å²	58.1	49%	0.491	30%	0.303	S	S	.	.			trans	-56.2	141.4	170.4	-171.4	0	0	0	0	109.2	A158	V152-A158 HydrophobicContact CG2-CB 4.47Å
153	D	75.6	Confident	74.3	Confident	59 Å²	59	58.8 Å²	58.8	32%	0.316	31%	0.306	S	S	.	.			trans	-56.5	157	177.3	-172.8	35.3	0	0	0	111.9	S146 T151 N155 G156 G159	S146-D153 PolarHBondContact OG-OD1 2.9Å; T151-D153 PolarHBondContact O-N 3.14Å; D153-N155 PolarHBondContact O-N 3.08Å; D153-N155 PolarHBondContact OD2-ND2 3.13Å; D153-G156 PolarHBondContact O-N 2.94Å; D153-G159 WeakPolarHBondContact O-CA 3.16Å
154	H	71.2	Confident	74.3	Confident	67 Å²	67	63.9 Å²	63.9	31%	0.31	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-17.9	179.9	68.6	-75.3	0	0	0	114	A142	A142-H154 HydrophobicContact CB-CB 3.76Å
155	N	77.6	Confident	74.2	Confident	78 Å²	78	65.4 Å²	65.4	42%	0.417	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.9	174.7	-66.5	-49.4	0	0	0	114.7	D153 M174	D153-N155 PolarHBondContact O-N 3.08Å; D153-N155 PolarHBondContact OD2-ND2 3.13Å; N155-M174 HydrophobicContact CB-CG 4.39Å; N155-M174 VanDerWaalsContact O-CG 3.29Å; N155-M174 WeakPolarHBondContact O-CG 3.12Å
156	G	75.3	Confident	74.2	Confident	16 Å²	16	68.7 Å²	68.7	17%	0.165	37%	0.365	C	S	.	.	S	Bend	trans	-79.5	158	177	0	0	0	0	0	112.8	D153 A158 G159	D153-G156 PolarHBondContact O-N 2.94Å; G156-A158 PolarHBondContact O-N 3.45Å; G156-G159 PolarHBondContact O-N 3.36Å
157	K	78.7	Confident	74.3	Confident	155 Å²	155	68.5 Å²	68.5	67%	0.674	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.6	172.8	-66.4	-176.8	-179.9	177.5	0	111.5	N166 G167 F176	K157-N166 CarbonylContact O-C 3.54Å; K157-N166 WeakPolarHBondContact O-CA 3.39Å; K157-G167 PolarHBondContact O-N 2.66Å; K157-F176 WeakPolarHBondContact O-CE1 3.18Å
158	A	79.2	Confident	74.5	Confident	60 Å²	60	74.4 Å²	74.4	50%	0.496	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	34.2	172.5	0	0	0	0	0	112.3	V152 G156	V152-A158 HydrophobicContact CG2-CB 4.47Å; G156-A158 PolarHBondContact O-N 3.45Å
159	G	72.2	Confident	74.7	Confident	11 Å²	11	81.5 Å²	81.5	11%	0.113	41%	0.406	C	S	.	.			trans	-83.1	-5	-174.5	0	0	0	0	0	115.5	D153 G156 D161	D153-G159 WeakPolarHBondContact O-CA 3.16Å; G156-G159 PolarHBondContact O-N 3.36Å; G159-D161 PolarHBondContact O-N 2.94Å
160	C	71.5	Confident	74.7	Confident	21 Å²	21	81.3 Å²	81.3	14%	0.142	41%	0.411	C	S	.	.			trans	-74.3	116.3	178	-174.6	0	0	0	0	109.9	R162 C163 F176	C160-R162 PolarHBondContact O-N 2.8Å; C160-C163 HydrophobicContact CB-CB 4.31Å; C160-C163 WeakPolarHBondContact CB-O 3.48Å; C160-C163 WeakPolarHBondContact CB-SG 3.32Å; C160-C163 WeakPolarHBondContact SG-CB 3.36Å; C160-C163 PolarHBondContact SG-N 3.35Å; C160-C163 CovalentContact SG-SG 2.06Å; C160-C163 PolarHBondContact SG-SG 3.45Å; C160-F176 HydrophobicContact CB-CD1 3.89Å; C160-F176 HydrophobicContact CB-CE1 3.76Å; C160-F176 HydrophobicContact CB-CG 4.34Å; C160-F176 HydrophobicContact CB-CZ 4.11Å
161	D	68.2	Low	74.9	Confident	45 Å²	45	82.8 Å²	82.8	24%	0.241	43%	0.428	C	S	.	.	S	Bend	trans	-84.2	2.1	-178.9	81	-58.3	0	0	0	113.6	R145 R149 G159	R145-D161 WeakPolarHBondContact CD-OD2 3.21Å; R145-D161 IonicContact CZ-OD1 3.84Å; R145-D161 IonicContact CZ-OD2 3.65Å; R145-D161 IonicContact NE-OD2 2.8Å; R145-D161 IonicContact NH1-OD1 2.66Å; R145-D161 PolarHBondContact NH1-OD1 2.98Å; R145-D161 IonicContact NH1-OD2 3.48Å; R145-D161 PolarHBondContact NH1-OD2 3.32Å; R145-D161 IonicContact NH2-OD1 3.45Å; R149-D161 IonicContact CZ-OD2 3.53Å; R149-D161 PolarHBondContact NH1-O 3.44Å; R149-D161 VanDerWaalsContact NH1-O 3.13Å; R149-D161 IonicContact NH1-OD2 3.05Å; R149-D161 PolarHBondContact NH1-OD2 2.71Å; R149-D161 IonicContact NH2-OD2 3.72Å; G159-D161 PolarHBondContact O-N 2.94Å
162	R	68.6	Low	74.9	Confident	121 Å²	121	83.2 Å²	83.2	46%	0.457	45%	0.446	S	S	.	.	S	Bend	trans	-121.1	-15.7	-178.2	-61.2	-177	-173.1	-169.7	-0.4	113.4	C160 L184	C160-R162 PolarHBondContact O-N 2.8Å; R162-L184 PolarHBondContact NH1-O 2.7Å
163	C	68.4	Low	74.9	Confident	45 Å²	45	86.6 Å²	86.6	30%	0.304	45%	0.454	S	S	.	.			trans	-145.3	150.5	-168.8	69.5	0	0	0	0	111.2	C160 V165	C160-C163 HydrophobicContact CB-CB 4.31Å; C160-C163 WeakPolarHBondContact CB-O 3.48Å; C160-C163 WeakPolarHBondContact CB-SG 3.32Å; C160-C163 WeakPolarHBondContact SG-CB 3.36Å; C160-C163 PolarHBondContact SG-N 3.35Å; C160-C163 CovalentContact SG-SG 2.06Å; C160-C163 PolarHBondContact SG-SG 3.45Å; C163-V165 HydrophobicContact CB-CG2 4.33Å; C163-V165 PolarHBondContact O-N 2.06Å
164	V	73.5	Confident	74.8	Confident	150 Å²	150	85.1 Å²	85.1	91%	0.909	45%	0.446	S	S	*	.			trans	-87.2	10.9	177.1	-64.1	0	0	0	0	113
165	V	73.3	Confident	74.9	Confident	35 Å²	35	84 Å²	84	21%	0.212	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-72.8	131.3	-176.6	178.9	0	0	0	0	109.7	C163 G167 F176	C163-V165 HydrophobicContact CB-CG2 4.33Å; C163-V165 PolarHBondContact O-N 2.06Å; V165-G167 PolarHBondContact O-N 2.99Å; V165-F176 HydrophobicContact CG1-CB 4.39Å; V165-F176 WeakPolarHBondContact O-CD1 3.02Å
166	N	78	Confident	74.6	Confident	111 Å²	111	83 Å²	83	59%	0.594	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-73.9	117.8	171.5	-76	-45.5	0	0	0	110.6	K157	K157-N166 CarbonylContact O-C 3.54Å; K157-N166 WeakPolarHBondContact O-CA 3.39Å
167	G	76.5	Confident	73.9	Confident	5 Å²	5	84.2 Å²	84.2	5%	0.052	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-64.7	146	174.1	0	0	0	0	0	112.5	K157 V165 T175 F176	K157-G167 PolarHBondContact O-N 2.66Å; V165-G167 PolarHBondContact O-N 2.99Å; G167-T175 CarbonylContact C-O 3.53Å; G167-T175 WeakPolarHBondContact CA-O 3.33Å; G167-F176 VanDerWaalsContact CA-CE1 3.49Å
168	R	78.5	Confident	72.9	Confident	170 Å²	170	83.4 Å²	83.4	64%	0.642	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.4	175.8	-59.7	-176.3	-176.5	-176.6	0	108.6	T175 P177	R168-T175 PolarHBondContact N-O 3.37Å; R168-T175 PolarHBondContact O-N 2.93Å; R168-T175 VanDerWaalsContact O-O 3.13Å; R168-T175 PolarHBondContact O-OG1 2.97Å; R168-P177 HydrophobicContact CB-CG 4.41Å; R168-P177 HydrophobicContact CG-CG 4.35Å
169	R	79.3	Confident	71.3	Confident	188 Å²	188	82.8 Å²	82.8	71%	0.709	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	118	169.1	-74.7	-170.2	177.3	-178.9	-1.2	108.8	K173 M174	R169-K173 CarbonylContact C-O 3.6Å; R169-K173 WeakPolarHBondContact CA-O 3.29Å; R169-M174 HydrophobicContact CB-SD 4.42Å; R169-M174 HydrophobicContact CG-CG 4.32Å; R169-M174 HydrophobicContact CG-SD 3.19Å; R169-M174 WeakPolarHBondContact CG-SD 3.13Å
170	L	75.7	Confident	69.8	Low	88 Å²	88	90.1 Å²	90.1	46%	0.461	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.1	169.4	-60.9	177.7	0	0	0	106.9	G172 K173 T175	L170-G172 VanDerWaalsContact C-N 3.28Å; L170-G172 PolarHBondContact O-N 2.84Å; L170-K173 PolarHBondContact N-O 3.09Å; L170-K173 PolarHBondContact O-N 3.41Å; L170-K173 VanDerWaalsContact O-O 3.06Å; L170-T175 HydrophobicContact CB-CG2 4.1Å; L170-T175 HydrophobicContact CD1-CG2 4.34Å; L170-T175 VanDerWaalsContact CD1-OG1 3.28Å; L170-T175 WeakPolarHBondContact CD1-OG1 3.21Å; L170-T175 HydrophobicContact CG-CG2 4.49Å; L170-T175 WeakPolarHBondContact CG-OG1 3.19Å
171	D	79.4	Confident	68.1	Low	165 Å²	165	97.4 Å²	97.4	88%	0.882	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	42.4	178.9	-52.6	-31	0	0	0	114.5	K173	D171-K173 PolarHBondContact O-N 2.91Å
172	G	75.7	Confident	66.4	Low	76 Å²	76	104.1 Å²	104.1	78%	0.784	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	1.8	-179.1	0	0	0	0	0	114.9	L170	L170-G172 VanDerWaalsContact C-N 3.28Å; L170-G172 PolarHBondContact O-N 2.84Å
173	K	75.5	Confident	64.9	Low	153 Å²	153	102.3 Å²	102.3	67%	0.665	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.4	179.1	-64.8	175.1	-176.7	171.7	0	110.7	R169 L170 D171 T175	R169-K173 CarbonylContact C-O 3.6Å; R169-K173 WeakPolarHBondContact CA-O 3.29Å; L170-K173 PolarHBondContact N-O 3.09Å; L170-K173 PolarHBondContact O-N 3.41Å; L170-K173 VanDerWaalsContact O-O 3.06Å; D171-K173 PolarHBondContact O-N 2.91Å; K173-T175 PolarHBondContact O-N 3.01Å
174	M	74.4	Confident	63.6	Low	28 Å²	28	105.5 Å²	105.5	14%	0.138	56%	0.562	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.1	119.6	168.6	-70.3	-63	-54.7	0	0	109.4	N155 R169	N155-M174 HydrophobicContact CB-CG 4.39Å; N155-M174 VanDerWaalsContact O-CG 3.29Å; N155-M174 WeakPolarHBondContact O-CG 3.12Å; R169-M174 HydrophobicContact CB-SD 4.42Å; R169-M174 HydrophobicContact CG-CG 4.32Å; R169-M174 HydrophobicContact CG-SD 3.19Å; R169-M174 WeakPolarHBondContact CG-SD 3.13Å
175	T	73.6	Confident	61.9	Low	43 Å²	43	101.8 Å²	101.8	26%	0.264	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	152	175.4	63.9	0	0	0	0	109	G167 R168 L170 K173 P177	G167-T175 CarbonylContact C-O 3.53Å; G167-T175 WeakPolarHBondContact CA-O 3.33Å; R168-T175 PolarHBondContact N-O 3.37Å; R168-T175 PolarHBondContact O-N 2.93Å; R168-T175 VanDerWaalsContact O-O 3.13Å; R168-T175 PolarHBondContact O-OG1 2.97Å; L170-T175 HydrophobicContact CB-CG2 4.1Å; L170-T175 HydrophobicContact CD1-CG2 4.34Å; L170-T175 VanDerWaalsContact CD1-OG1 3.28Å; L170-T175 WeakPolarHBondContact CD1-OG1 3.21Å; L170-T175 HydrophobicContact CG-CG2 4.49Å; L170-T175 WeakPolarHBondContact CG-OG1 3.19Å; K173-T175 PolarHBondContact O-N 3.01Å; T175-P177 WeakPolarHBondContact O-CD 3.28Å
176	F	70.2	Confident	60.1	Low	56 Å²	56	104.8 Å²	104.8	25%	0.246	57%	0.571	C	S	.	*			trans	-116.8	73.6	175.3	-64.1	-89.7	0	0	0	108.6	K157 C160 V165 G167 N178	K157-F176 WeakPolarHBondContact O-CE1 3.18Å; C160-F176 HydrophobicContact CB-CD1 3.89Å; C160-F176 HydrophobicContact CB-CE1 3.76Å; C160-F176 HydrophobicContact CB-CG 4.34Å; C160-F176 HydrophobicContact CB-CZ 4.11Å; V165-F176 HydrophobicContact CG1-CB 4.39Å; V165-F176 WeakPolarHBondContact O-CD1 3.02Å; G167-F176 VanDerWaalsContact CA-CE1 3.49Å; F176-N178 PolarHBondContact O-N 2.82Å
177	P	60.5	Low	58	Low	43 Å²	43	108.3 Å²	108.3	28%	0.279	58%	0.577	S	S	.	*			trans	-76.8	121.1	-175.7	29.9	-32.5	0	0	0	111.3	R168 T175	R168-P177 HydrophobicContact CB-CG 4.41Å; R168-P177 HydrophobicContact CG-CG 4.35Å; T175-P177 WeakPolarHBondContact O-CD 3.28Å
178	N	58.5	Low	56.1	Low	137 Å²	137	112.8 Å²	112.8	73%	0.733	60%	0.596	S	S	*	*			trans	66.8	127.2	160.9	-59.9	-0.4	0	0	0	120.1	F176	F176-N178 PolarHBondContact O-N 2.82Å
179	G	45	Very low	54.1	Low	47 Å²	47	113.7 Å²	113.7	49%	0.485	61%	0.605	S	S	.	*	S	Bend	trans	174.1	62.4	164.1	0	0	0	0	0	111.7	F181	G179-F181 VanDerWaalsContact C-N 3.28Å; G179-F181 PolarHBondContact O-N 2.78Å
180	I	40.5	Very low	51.8	Low	166 Å²	166	111 Å²	111	85%	0.851	61%	0.61	S	S	*	*	S	Bend	trans	54.5	29.7	163.8	-35.2	179.2	0	0	0	116.4
181	F	37.4	Very low	49.6	Very low	174 Å²	174	109.8 Å²	109.8	76%	0.763	61%	0.608	S	S	*	*			trans	-135.1	68.1	158.6	-79.9	-81.5	0	0	0	109.4	G179 A183	G179-F181 VanDerWaalsContact C-N 3.28Å; G179-F181 PolarHBondContact O-N 2.78Å; F181-A183 PolarHBondContact O-N 3.46Å
182	E	32.5	Very low	47.3	Very low	185 Å²	185	109.7 Å²	109.7	86%	0.864	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	21.2	-178.9	-77.4	-176.4	148.2	0	0	115.4
183	A	36.8	Very low	45.3	Very low	83 Å²	83	112.6 Å²	112.6	69%	0.686	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.3	-8.9	-178.1	0	0	0	0	0	117.2	F181	F181-A183 PolarHBondContact O-N 3.46Å
184	L	39.9	Very low	43.4	Very low	113 Å²	113	107.2 Å²	107.2	59%	0.592	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-17.2	-168.5	-77	164.1	0	0	0	116.6	R162	R162-L184 PolarHBondContact NH1-O 2.7Å
185	C	38	Very low	41.5	Very low	72 Å²	72	110.2 Å²	110.2	49%	0.486	60%	0.598	S	S	.	*	S	Bend	trans	-98.7	-22.9	-174.9	-157.3	0	0	0	0	114.4
186	A	36.3	Very low	39.9	Very low	98 Å²	98	109.6 Å²	109.6	81%	0.81	59%	0.594	S	S	*	*	S	Bend	trans	-93	-22	-176.7	0	0	0	0	0	114.3
187	Y	33.6	Very low	38	Very low	185 Å²	185	114 Å²	114	73%	0.725	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-2.8	-169.8	-145.3	-95.2	0	0	0	115.3
188	H	36.9	Very low	36.7	Very low	98 Å²	98	120.2 Å²	120.2	45%	0.454	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.4	12.4	-171.3	-93.3	-120.6	0	0	0	115.4	T190	H188-T190 PolarHBondContact O-N 2.92Å
189	K	36.8	Very low	35.3	Very low	189 Å²	189	122.4 Å²	122.4	82%	0.822	63%	0.631	S	S	*	*	S	Bend	trans	-77.8	-3.7	170.3	-79.4	-172.8	178	-178.4	0	113.4
190	T	30.7	Very low	34.7	Very low	133 Å²	133	126.6 Å²	126.6	82%	0.816	65%	0.648	S	S	*	*	S	Bend	trans	-123.2	3.4	-172.5	45.7	0	0	0	0	114.9	H188	H188-T190 PolarHBondContact O-N 2.92Å
191	S	29.2	Very low	34.2	Very low	61 Å²	61	125.5 Å²	125.5	43%	0.427	64%	0.639	S	S	.	*	S	Bend	trans	-133.7	96.6	171.8	54.6	0	0	0	0	111.5
192	E	30.8	Very low	33.9	Very low	164 Å²	164	125.5 Å²	125.5	77%	0.766	64%	0.639	S	S	*	*	S	Bend	trans	23.9	112.9	136.5	-86.2	-177.9	135.3	0	0	117.8
193	F	33.2	Very low	33.8	Very low	137 Å²	137	125.7 Å²	125.7	60%	0.601	64%	0.64	S	S	*	*			trans	69	78.6	161.9	-45	-70.6	0	0	0	116.6	I139 T195	I139-F193 HydrophobicContact CD1-CD1 4.38Å; I139-F193 HydrophobicContact CG2-CD1 3.67Å; I139-F193 HydrophobicContact CG2-CE1 4.42Å; F193-T195 PolarHBondContact O-N 3.19Å; F193-T195 VanDerWaalsContact O-N 3.12Å
194	A	35.8	Very low	33.4	Very low	40 Å²	40	129.5 Å²	129.5	33%	0.331	65%	0.649	S	S	.	*			trans	-69	107	164.4	0	0	0	0	0	110.5	V196	A194-V196 PolarHBondContact O-N 3.19Å
195	T	35.5	Very low	33	Very low	90 Å²	90	127.6 Å²	127.6	55%	0.552	65%	0.649	S	S	*	*			trans	-58.9	115.5	171.8	-27	0	0	0	0	110.4	A137 F193 K197	A137-T195 HydrophobicContact CB-CG2 3.6Å; F193-T195 PolarHBondContact O-N 3.19Å; F193-T195 VanDerWaalsContact O-N 3.12Å; T195-K197 HydrophobicContact CG2-CG 4.44Å; T195-K197 PolarHBondContact O-N 2.92Å
196	V	39.4	Very low	32.5	Very low	31 Å²	31	130.4 Å²	130.4	19%	0.188	67%	0.668	C	S	.	*	B	Isolated β-bridge	trans	-73.5	85.5	159.1	-176.8	0	0	0	0	107.1	V138 A194	V138-V196 HydrophobicContact CB-CB 4.24Å; V138-V196 WeakPolarHBondContact O-CB 3.3Å; V138-V196 VanDerWaalsContact O-CG2 3.3Å; V138-V196 WeakPolarHBondContact O-CG2 3.45Å; V138-V196 PolarHBondContact O-N 2.76Å; A194-V196 PolarHBondContact O-N 3.19Å
197	K	31.4	Very low	32.1	Very low	147 Å²	147	130.6 Å²	130.6	64%	0.639	66%	0.661	S	S	*	*			trans	-69.7	157.7	148.6	-77.3	-175.2	175.1	-179	0	107.1	T195	T195-K197 HydrophobicContact CG2-CG 4.44Å; T195-K197 PolarHBondContact O-N 2.92Å
198	Y	33.2	Very low	31.9	Very low	174 Å²	174	126.5 Å²	126.5	68%	0.682	66%	0.659	S	S	*	*			trans	93	77.2	179.3	-45.7	-72.1	0	0	0	116
199	Y	29.1	Very low	31.7	Very low	183 Å²	183	127.7 Å²	127.7	72%	0.718	67%	0.674	S	S	*	*	S	Bend	trans	-101.9	142.2	132.3	-102.2	-101.2	0	0	0	106.1
200	T	31.6	Very low	31.4	Very low	136 Å²	136	126.2 Å²	126.2	83%	0.834	68%	0.675	S	S	*	*	S	Bend	trans	107	-2.2	165.1	76.3	0	0	0	0	122.9
201	E	29.5	Very low	31.7	Very low	143 Å²	143	130.3 Å²	130.3	67%	0.668	68%	0.677	S	S	*	*	S	Bend	trans	-117.8	-4.5	-178.7	-71.8	180	-176.3	0	0	117.4
202	F	32.3	Very low	31.8	Very low	174 Å²	174	133.9 Å²	133.9	76%	0.763	70%	0.7	S	S	*	*	S	Bend	trans	-107	8	-170.1	-89.9	-82.3	0	0	0	117.9
203	H	30.7	Very low	31.6	Very low	188 Å²	188	135.9 Å²	135.9	87%	0.87	71%	0.706	S	S	*	*	S	Bend	trans	-96.8	-1.2	172.6	-82.3	-99.2	0	0	0	114.8
204	N	28.6	Very low	31.3	Very low	164 Å²	164	134 Å²	134	88%	0.877	72%	0.717	S	S	*	*	S	Bend	trans	-128	14.8	-175.4	-71.3	-29.3	0	0	0	115.4
205	A	30	Very low	31.5	Very low	73 Å²	73	142 Å²	142	60%	0.603	77%	0.765	S	S	*	*			trans	-122.7	60.9	173.8	0	0	0	0	0	110.6	P207	A205-P207 WeakPolarHBondContact O-CD 3.41Å
206	C	28.2	Very low	31.3	Very low	131 Å²	131	144.7 Å²	144.7	89%	0.885	78%	0.776	S	S	*	*			trans	-97.5	96.9	156	-175.5	0	0	0	0	108
207	P	27.6	Very low	30.9	Very low	101 Å²	101	150.6 Å²	150.6	66%	0.656	81%	0.807	S	S	*	*			trans	-115.7	113.8	149.3	31.8	-20.7	0	0	0	108.8	A205	A205-P207 WeakPolarHBondContact O-CD 3.41Å
208	S	30.3	Very low	30.8	Very low	99 Å²	99	150.8 Å²	150.8	69%	0.692	82%	0.816	S	S	*	*			trans	52.4	108.5	150.5	58.8	0	0	0	0	118.1
209	T	32.1	Very low	30.7	Very low	124 Å²	124	149.5 Å²	149.5	76%	0.761	82%	0.824	S	S	*	*				174.5	92.7	126.4	31.8	0	0	0	0	111.7	Y211	T209-Y211 PolarHBondContact O-N 3.2Å
210	D	29.6	Very low	30.8	Very low	157 Å²	157	147.4 Å²	147.4	84%	0.84	83%	0.831	S	S	*	*				47.2	33.1	126.8	-67.5	-25.1	0	0	0	123.2
211	Y	37.5	Very low	30.7	Very low	219 Å²	219	148.1 Å²	148.1	86%	0.859	83%	0.831	S	S	*	*			trans	-132	10.6	169.8	-76.2	-78.6	0	0	0	117.7	T209	T209-Y211 PolarHBondContact O-N 3.2Å
212	C	30.9	Very low	30.8	Very low	136 Å²	136	148.5 Å²	148.5	92%	0.919	84%	0.842	S	S	*	*			trans	-104.2	69.4	167.6	-67.7	0	0	0	0	110.8
213	K	26.5	Very low	30.7	Very low	206 Å²	206	146.5 Å²	146.5	90%	0.896	85%	0.848	S	S	*	*			trans	-138	134.3	160.2	-79.9	-168.1	178.3	179.4	0	110.9
214	A	27.7	Very low	30.7	Very low	99 Å²	99	143.1 Å²	143.1	82%	0.818	85%	0.846	S	S	*	*			trans	107.3	136.2	157.7	0	0	0	0	0	116.5
215	P	39.5	Very low	30.9	Very low	208 Å²	208	141.2 Å²	141.2	100%	1.351	84%	0.844	S	S	*	*			cis	-92.2	0	-39.3	6.9	14.5	0	0	0	112.6

Retrieved 215 of 215 residues in 53.5 ms (Link to these results)

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