G4VDQ1_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession G4VDQ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 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	47	Very low	51.3	Low	190 Å²	190	96.6 Å²	96.6	94%	0.936	53%	0.527	S	S	*	.				0	128	0	-169.7	160.8	66.8	0	0	108	T3 L6	M1-T3 PolarHBondContact O-N 3.3Å; M1-L6 HydrophobicContact CE-CB 4.48Å; M1-L6 HydrophobicContact CE-CD1 3.81Å; M1-L6 HydrophobicContact CE-CD2 4.33Å; M1-L6 HydrophobicContact CE-CG 4.43Å
2	N	59.8	Low	51.5	Low	89 Å²	89	95.7 Å²	95.7	48%	0.476	53%	0.526	S	S	.	.			trans	-69.4	126.9	-177	-178.6	-22.2	0	0	0	109.7	N4 I5 L6	N2-N4 PolarHBondContact O-N 3.49Å; N2-N4 VanDerWaalsContact O-N 3.17Å; N2-N4 WeakPolarHBondContact OD1-CB 3.38Å; N2-N4 PolarHBondContact OD1-N 2.94Å; N2-I5 HydrophobicContact CB-CB 4.3Å; N2-I5 HydrophobicContact CB-CD1 3.87Å; N2-I5 HydrophobicContact CB-CG1 3.94Å; N2-I5 WeakPolarHBondContact O-CA 3.49Å; N2-I5 WeakPolarHBondContact O-CB 3.35Å; N2-I5 PolarHBondContact O-N 3.08Å; N2-L6 PolarHBondContact O-N 2.98Å; N2-L6 VanDerWaalsContact O-N 3.09Å
3	T	48.1	Very low	51.7	Low	93 Å²	93	96.2 Å²	96.2	57%	0.571	53%	0.527	S	S	*	.	H	α-helix	trans	-56.4	-31.7	-177.9	-34	0	0	0	0	112.6	M1 L6 L7	M1-T3 PolarHBondContact O-N 3.3Å; T3-L6 PolarHBondContact O-N 3.03Å; T3-L7 PolarHBondContact O-N 2.8Å
4	N	46.1	Very low	51.8	Low	116 Å²	116	94.1 Å²	94.1	62%	0.62	51%	0.514	S	S	*	.	H	α-helix	trans	-70.4	-35	175.9	-66.7	-18.9	0	0	0	112.3	N2 A8	N2-N4 PolarHBondContact O-N 3.49Å; N2-N4 VanDerWaalsContact O-N 3.17Å; N2-N4 WeakPolarHBondContact OD1-CB 3.38Å; N2-N4 PolarHBondContact OD1-N 2.94Å; N4-A8 VanDerWaalsContact O-CB 3.31Å; N4-A8 WeakPolarHBondContact O-CB 3.11Å; N4-A8 PolarHBondContact O-N 3.08Å
5	I	46.5	Very low	51.9	Low	99 Å²	99	91 Å²	91	51%	0.508	50%	0.502	S	S	.	.	H	α-helix	trans	-65.7	-45.4	174	-65.1	177.3	0	0	0	108.6	N2 L7 A8 T9	N2-I5 HydrophobicContact CB-CB 4.3Å; N2-I5 HydrophobicContact CB-CD1 3.87Å; N2-I5 HydrophobicContact CB-CG1 3.94Å; N2-I5 WeakPolarHBondContact O-CA 3.49Å; N2-I5 WeakPolarHBondContact O-CB 3.35Å; N2-I5 PolarHBondContact O-N 3.08Å; I5-L7 PolarHBondContact O-N 3.38Å; I5-A8 PolarHBondContact O-N 2.9Å; I5-T9 PolarHBondContact O-N 2.97Å; I5-T9 PolarHBondContact O-OG1 2.99Å
6	L	48.6	Very low	51.6	Low	78 Å²	78	92.4 Å²	92.4	41%	0.408	51%	0.507	S	S	.	.	H	α-helix	trans	-59.8	-46.2	178.1	-176.6	60.5	0	0	0	112.3	M1 N2 T3 A8 T9 T10	M1-L6 HydrophobicContact CE-CB 4.48Å; M1-L6 HydrophobicContact CE-CD1 3.81Å; M1-L6 HydrophobicContact CE-CD2 4.33Å; M1-L6 HydrophobicContact CE-CG 4.43Å; N2-L6 PolarHBondContact O-N 2.98Å; N2-L6 VanDerWaalsContact O-N 3.09Å; T3-L6 PolarHBondContact O-N 3.03Å; L6-A8 PolarHBondContact O-N 3.02Å; L6-T9 WeakPolarHBondContact CA-OG1 3.36Å; L6-T9 PolarHBondContact O-N 3.48Å; L6-T9 PolarHBondContact O-OG1 2.98Å; L6-T10 WeakPolarHBondContact O-CB 3.34Å; L6-T10 PolarHBondContact O-N 2.77Å; L6-T10 PolarHBondContact O-OG1 2.97Å
7	L	53.3	Low	51.2	Low	80 Å²	80	94.8 Å²	94.8	42%	0.419	51%	0.514	S	S	.	.	H	α-helix	trans	-63.4	-41.1	177	-81.3	161.5	0	0	0	112.5	T3 I5 T10 F11	T3-L7 PolarHBondContact O-N 2.8Å; I5-L7 PolarHBondContact O-N 3.38Å; L7-T10 PolarHBondContact O-N 2.89Å; L7-F11 VanDerWaalsContact O-CB 3.3Å; L7-F11 WeakPolarHBondContact O-CB 3.17Å; L7-F11 PolarHBondContact O-N 3.42Å
8	A	49.3	Very low	51	Low	56 Å²	56	93.4 Å²	93.4	46%	0.463	51%	0.509	S	S	.	.	H	α-helix	trans	-67.8	-39.1	177.5	0	0	0	0	0	112.3	N4 I5 L6 T12	N4-A8 VanDerWaalsContact O-CB 3.31Å; N4-A8 WeakPolarHBondContact O-CB 3.11Å; N4-A8 PolarHBondContact O-N 3.08Å; I5-A8 PolarHBondContact O-N 2.9Å; L6-A8 PolarHBondContact O-N 3.02Å; A8-T12 WeakPolarHBondContact O-CB 2.97Å; A8-T12 WeakPolarHBondContact O-CG2 3.31Å; A8-T12 PolarHBondContact O-N 2.72Å; A8-T12 PolarHBondContact O-OG1 2.86Å
9	T	49.5	Very low	50.8	Low	64 Å²	64	92.8 Å²	92.8	39%	0.393	51%	0.512	S	S	.	.	H	α-helix	trans	-68.3	-41.6	172.4	23.3	0	0	0	0	111.7	I5 L6 F11 T12 I13	I5-T9 PolarHBondContact O-N 2.97Å; I5-T9 PolarHBondContact O-OG1 2.99Å; L6-T9 WeakPolarHBondContact CA-OG1 3.36Å; L6-T9 PolarHBondContact O-N 3.48Å; L6-T9 PolarHBondContact O-OG1 2.98Å; T9-F11 VanDerWaalsContact C-N 3.35Å; T9-F11 PolarHBondContact O-N 2.93Å; T9-T12 VanDerWaalsContact CA-OG1 3.3Å; T9-T12 WeakPolarHBondContact CA-OG1 3.27Å; T9-T12 PolarHBondContact O-N 3.2Å; T9-T12 PolarHBondContact O-OG1 3.2Å; T9-I13 WeakPolarHBondContact O-CB 3.27Å; T9-I13 WeakPolarHBondContact O-CD1 3.37Å; T9-I13 WeakPolarHBondContact O-CG1 3.35Å; T9-I13 PolarHBondContact O-N 2.54Å
10	T	55	Low	50.3	Low	77 Å²	77	93.3 Å²	93.3	47%	0.472	51%	0.513	S	S	.	.	H	α-helix	trans	-62.6	-43	176.4	-55.5	0	0	0	0	111.1	L6 L7 L14	L6-T10 WeakPolarHBondContact O-CB 3.34Å; L6-T10 PolarHBondContact O-N 2.77Å; L6-T10 PolarHBondContact O-OG1 2.97Å; L7-T10 PolarHBondContact O-N 2.89Å; T10-L14 VanDerWaalsContact O-CB 3.27Å; T10-L14 WeakPolarHBondContact O-CB 3.48Å; T10-L14 PolarHBondContact O-N 2.81Å
11	F	60.9	Low	49.8	Very low	121 Å²	121	90.8 Å²	90.8	53%	0.531	51%	0.505	S	S	.	.	H	α-helix	trans	-65.7	-40.3	177.7	-174.1	-96.4	0	0	0	112.8	L7 T9 L14 S15	L7-F11 VanDerWaalsContact O-CB 3.3Å; L7-F11 WeakPolarHBondContact O-CB 3.17Å; L7-F11 PolarHBondContact O-N 3.42Å; T9-F11 VanDerWaalsContact C-N 3.35Å; T9-F11 PolarHBondContact O-N 2.93Å; F11-L14 PolarHBondContact O-N 3.34Å; F11-S15 WeakPolarHBondContact O-CB 3.05Å; F11-S15 PolarHBondContact O-N 3.26Å; F11-S15 PolarHBondContact O-OG 3.08Å
12	T	53.9	Low	49.5	Very low	85 Å²	85	85 Å²	85	52%	0.521	49%	0.487	S	S	.	.	H	α-helix	trans	-70.1	-40.5	177.2	42.3	0	0	0	0	112.2	A8 T9 L14 S15 L16	A8-T12 WeakPolarHBondContact O-CB 2.97Å; A8-T12 WeakPolarHBondContact O-CG2 3.31Å; A8-T12 PolarHBondContact O-N 2.72Å; A8-T12 PolarHBondContact O-OG1 2.86Å; T9-T12 VanDerWaalsContact CA-OG1 3.3Å; T9-T12 WeakPolarHBondContact CA-OG1 3.27Å; T9-T12 PolarHBondContact O-N 3.2Å; T9-T12 PolarHBondContact O-OG1 3.2Å; T12-L14 VanDerWaalsContact C-N 3.34Å; T12-L14 PolarHBondContact O-N 2.99Å; T12-S15 PolarHBondContact O-N 3.49Å; T12-L16 VanDerWaalsContact O-CB 3.3Å; T12-L16 WeakPolarHBondContact O-CB 3.49Å; T12-L16 PolarHBondContact O-N 3.32Å
13	I	53.7	Low	48.8	Very low	103 Å²	103	88.7 Å²	88.7	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-42.9	173.8	-68.6	165	0	0	0	110.5	T9 L16 H17	T9-I13 WeakPolarHBondContact O-CB 3.27Å; T9-I13 WeakPolarHBondContact O-CD1 3.37Å; T9-I13 WeakPolarHBondContact O-CG1 3.35Å; T9-I13 PolarHBondContact O-N 2.54Å; I13-L16 PolarHBondContact O-N 3.42Å; I13-H17 PolarHBondContact O-N 2.98Å
14	L	53.4	Low	48.5	Very low	66 Å²	66	91.9 Å²	91.9	35%	0.346	51%	0.512	S	S	.	.	H	α-helix	trans	-66.4	-42.7	179.3	-156.7	71.9	0	0	0	111.8	T10 F11 T12 L16 H17 T18 L36 A40	T10-L14 VanDerWaalsContact O-CB 3.27Å; T10-L14 WeakPolarHBondContact O-CB 3.48Å; T10-L14 PolarHBondContact O-N 2.81Å; F11-L14 PolarHBondContact O-N 3.34Å; T12-L14 VanDerWaalsContact C-N 3.34Å; T12-L14 PolarHBondContact O-N 2.99Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 PolarHBondContact O-N 3.39Å; L14-H17 PolarHBondContact O-N 3.47Å; L14-T18 PolarHBondContact O-N 2.96Å; L14-T18 VanDerWaalsContact O-N 3.08Å; L14-T18 PolarHBondContact O-OG1 2.95Å; L14-L36 HydrophobicContact CD1-CD2 3.88Å; L14-A40 HydrophobicContact CD2-CB 4.05Å
15	S	52.9	Low	48.5	Very low	48 Å²	48	91.3 Å²	91.3	34%	0.336	51%	0.509	S	S	.	.	H	α-helix	trans	-64.1	-39.6	176.8	-59.4	0	0	0	0	112.1	F11 T12 T18 S19	F11-S15 WeakPolarHBondContact O-CB 3.05Å; F11-S15 PolarHBondContact O-N 3.26Å; F11-S15 PolarHBondContact O-OG 3.08Å; T12-S15 PolarHBondContact O-N 3.49Å; S15-T18 WeakPolarHBondContact CA-OG1 3.49Å; S15-T18 PolarHBondContact O-N 2.83Å; S15-T18 PolarHBondContact O-OG1 2.95Å; S15-S19 PolarHBondContact O-N 3.27Å; S15-S19 VanDerWaalsContact O-N 3.15Å
16	L	47	Very low	48.6	Very low	113 Å²	113	91.6 Å²	91.6	59%	0.592	52%	0.515	S	S	*	.	H	α-helix	trans	-66.6	-40.8	177.4	-171.1	64.6	0	0	0	111.4	T12 I13 L14 S19 I20	T12-L16 VanDerWaalsContact O-CB 3.3Å; T12-L16 WeakPolarHBondContact O-CB 3.49Å; T12-L16 PolarHBondContact O-N 3.32Å; I13-L16 PolarHBondContact O-N 3.42Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 PolarHBondContact O-N 3.39Å; L16-S19 PolarHBondContact O-N 2.96Å; L16-I20 HydrophobicContact CG-CD1 4.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.33Å; L16-I20 PolarHBondContact O-N 3.05Å
17	H	45.6	Very low	48.4	Very low	134 Å²	134	94.2 Å²	94.2	62%	0.62	53%	0.529	S	S	*	.	H	α-helix	trans	-65.1	-39.9	176.4	-109.9	-67.9	0	0	0	112.9	I13 L14 S19 I20 A21	I13-H17 PolarHBondContact O-N 2.98Å; L14-H17 PolarHBondContact O-N 3.47Å; H17-S19 VanDerWaalsContact C-N 3.3Å; H17-S19 PolarHBondContact O-N 3.44Å; H17-I20 PolarHBondContact O-N 3.14Å; H17-A21 WeakPolarHBondContact O-CB 3.09Å; H17-A21 PolarHBondContact O-N 2.91Å; H17-A21 VanDerWaalsContact O-N 3.08Å
18	T	47.2	Very low	47.6	Very low	69 Å²	69	96.4 Å²	96.4	42%	0.423	54%	0.541	S	S	.	.	H	α-helix	trans	-65.4	-33.5	175.7	48.1	0	0	0	0	112.7	L14 S15 A22	L14-T18 PolarHBondContact O-N 2.96Å; L14-T18 VanDerWaalsContact O-N 3.08Å; L14-T18 PolarHBondContact O-OG1 2.95Å; S15-T18 WeakPolarHBondContact CA-OG1 3.49Å; S15-T18 PolarHBondContact O-N 2.83Å; S15-T18 PolarHBondContact O-OG1 2.95Å; T18-A22 WeakPolarHBondContact O-CB 3.49Å; T18-A22 PolarHBondContact O-N 3.34Å
19	S	46.8	Very low	47.1	Very low	82 Å²	82	95.1 Å²	95.1	57%	0.573	53%	0.527	S	S	*	.	H	α-helix	trans	-70.1	-36.5	177.7	-171.9	0	0	0	0	112.7	S15 L16 H17	S15-S19 PolarHBondContact O-N 3.27Å; S15-S19 VanDerWaalsContact O-N 3.15Å; L16-S19 PolarHBondContact O-N 2.96Å; H17-S19 VanDerWaalsContact C-N 3.3Å; H17-S19 PolarHBondContact O-N 3.44Å
20	I	41.5	Very low	46.4	Very low	103 Å²	103	96 Å²	96	53%	0.528	53%	0.533	S	S	.	.	H	α-helix	trans	-75.8	-38.5	179.6	-64.6	167.9	0	0	0	110.5	L16 H17 H23	L16-I20 HydrophobicContact CG-CD1 4.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.33Å; L16-I20 PolarHBondContact O-N 3.05Å; H17-I20 PolarHBondContact O-N 3.14Å; I20-H23 WeakPolarHBondContact O-CB 3.32Å; I20-H23 PolarHBondContact O-N 2.58Å
21	A	39.2	Very low	45.4	Very low	40 Å²	40	95.9 Å²	95.9	33%	0.331	54%	0.535	S	S	.	.	H	α-helix	trans	-69.3	-32.9	179.4	0	0	0	0	0	113.4	H17 H23 M24	H17-A21 WeakPolarHBondContact O-CB 3.09Å; H17-A21 PolarHBondContact O-N 2.91Å; H17-A21 VanDerWaalsContact O-N 3.08Å; A21-H23 PolarHBondContact O-N 3.38Å; A21-H23 VanDerWaalsContact O-N 3.16Å; A21-M24 PolarHBondContact O-N 3.28Å
22	A	42.2	Very low	44.2	Very low	70 Å²	70	94.9 Å²	94.9	58%	0.579	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.9	174.3	0	0	0	0	0	113.4	T18	T18-A22 WeakPolarHBondContact O-CB 3.49Å; T18-A22 PolarHBondContact O-N 3.34Å
23	H	43.9	Very low	43.4	Very low	165 Å²	165	94 Å²	94	76%	0.764	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-9.9	-178.2	-151.5	-59.8	0	0	0	113.7	I20 A21	I20-H23 WeakPolarHBondContact O-CB 3.32Å; I20-H23 PolarHBondContact O-N 2.58Å; A21-H23 PolarHBondContact O-N 3.38Å; A21-H23 VanDerWaalsContact O-N 3.16Å
24	M	41.2	Very low	42.7	Very low	160 Å²	160	94.2 Å²	94.2	79%	0.788	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-27.5	-165	-71.1	-67.2	-112.3	0	0	117.8	A21	A21-M24 PolarHBondContact O-N 3.28Å
25	N	46	Very low	42	Very low	104 Å²	104	94.4 Å²	94.4	56%	0.556	54%	0.537	S	S	*	.			trans	-176.4	122.6	171.8	-155.8	-24	0	0	0	112.8	N27 T29	N25-N27 PolarHBondContact O-N 3.06Å; N25-T29 PolarHBondContact O-N 3.43Å; N25-T29 PolarHBondContact O-OG1 3.25Å
26	T	49.4	Very low	41.4	Very low	105 Å²	105	96 Å²	96	64%	0.644	54%	0.542	S	S	*	.	H	α-helix	trans	-67.4	-28.5	-166.3	47.5	0	0	0	0	116.4	T29	T26-T29 VanDerWaalsContact CA-OG1 3.24Å; T26-T29 WeakPolarHBondContact CA-OG1 3.32Å; T26-T29 PolarHBondContact O-OG1 3.36Å
27	N	44	Very low	41.1	Very low	133 Å²	133	92.6 Å²	92.6	71%	0.711	53%	0.533	S	S	*	.	H	α-helix	trans	-87.3	-30.2	-173.2	-75.8	-13.7	0	0	0	114.4	N25 T29 T30	N25-N27 PolarHBondContact O-N 3.06Å; N27-T29 VanDerWaalsContact C-N 3.34Å; N27-T30 PolarHBondContact O-OG1 3.08Å
28	L	36.9	Very low	40.9	Very low	127 Å²	127	91.3 Å²	91.3	67%	0.665	53%	0.531	S	S	*	.	H	α-helix	trans	-79.6	-20.9	169.8	-87.8	154.5	0	0	0	111.4	L32	L28-L32 WeakPolarHBondContact O-CB 3.23Å; L28-L32 PolarHBondContact O-N 3.25Å
29	T	38	Very low	40.8	Very low	28 Å²	28	92.4 Å²	92.4	17%	0.172	54%	0.538	C	S	.	.	H	α-helix	trans	-65.5	-43	179.8	-22.6	0	0	0	0	111.7	N25 T26 N27 T33	N25-T29 PolarHBondContact O-N 3.43Å; N25-T29 PolarHBondContact O-OG1 3.25Å; T26-T29 VanDerWaalsContact CA-OG1 3.24Å; T26-T29 WeakPolarHBondContact CA-OG1 3.32Å; T26-T29 PolarHBondContact O-OG1 3.36Å; N27-T29 VanDerWaalsContact C-N 3.34Å; T29-T33 WeakPolarHBondContact O-CB 3.49Å; T29-T33 PolarHBondContact O-N 3.47Å; T29-T33 PolarHBondContact O-OG1 2.78Å
30	T	35.7	Very low	40.7	Very low	84 Å²	84	89.9 Å²	89.9	52%	0.515	52%	0.521	S	S	.	.	H	α-helix	trans	-68.6	-46.3	-174.6	41.4	0	0	0	0	111.8	N27 I34	N27-T30 PolarHBondContact O-OG1 3.08Å; T30-I34 VanDerWaalsContact O-CB 3.32Å; T30-I34 WeakPolarHBondContact O-CB 3.44Å; T30-I34 VanDerWaalsContact O-CD1 3.27Å; T30-I34 WeakPolarHBondContact O-CD1 3.27Å; T30-I34 WeakPolarHBondContact O-CG1 3.18Å; T30-I34 PolarHBondContact O-N 2.84Å
31	S	34.4	Very low	40.9	Very low	74 Å²	74	91.2 Å²	91.2	52%	0.517	52%	0.524	S	S	.	.	H	α-helix	trans	-70.2	-40.2	-178.6	82	0	0	0	0	112.8	S35	S31-S35 VanDerWaalsContact O-CB 3.23Å; S31-S35 WeakPolarHBondContact O-CB 3.24Å; S31-S35 PolarHBondContact O-N 3.2Å
32	L	34.7	Very low	41.3	Very low	100 Å²	100	92.9 Å²	92.9	52%	0.524	53%	0.527	S	S	.	.	H	α-helix	trans	-69.9	-38.4	178.6	-165.5	73.2	0	0	0	111.4	L28 L36	L28-L32 WeakPolarHBondContact O-CB 3.23Å; L28-L32 PolarHBondContact O-N 3.25Å; L32-L36 HydrophobicContact CD1-CD1 3.8Å; L32-L36 HydrophobicContact CG-CD1 3.78Å; L32-L36 WeakPolarHBondContact O-CB 3.43Å; L32-L36 WeakPolarHBondContact O-CD1 3.21Å; L32-L36 PolarHBondContact O-N 3.34Å
33	T	36.9	Very low	41.6	Very low	66 Å²	66	91.8 Å²	91.8	41%	0.405	52%	0.518	S	S	.	.	H	α-helix	trans	-71.1	-38.1	178	-54.5	0	0	0	0	111.9	T29 G37	T29-T33 WeakPolarHBondContact O-CB 3.49Å; T29-T33 PolarHBondContact O-N 3.47Å; T29-T33 PolarHBondContact O-OG1 2.78Å; T33-G37 WeakPolarHBondContact O-CA 3.34Å; T33-G37 PolarHBondContact O-N 2.9Å
34	I	39.8	Very low	41.7	Very low	108 Å²	108	88.5 Å²	88.5	55%	0.554	51%	0.505	S	S	*	.	H	α-helix	trans	-67.2	-45.5	174.8	-68.3	163.9	0	0	0	110.1	T30 G37 L38	T30-I34 VanDerWaalsContact O-CB 3.32Å; T30-I34 WeakPolarHBondContact O-CB 3.44Å; T30-I34 VanDerWaalsContact O-CD1 3.27Å; T30-I34 WeakPolarHBondContact O-CD1 3.27Å; T30-I34 WeakPolarHBondContact O-CG1 3.18Å; T30-I34 PolarHBondContact O-N 2.84Å; I34-G37 PolarHBondContact O-N 2.88Å; I34-L38 HydrophobicContact CG2-CD1 3.97Å; I34-L38 WeakPolarHBondContact O-CB 3.11Å; I34-L38 WeakPolarHBondContact O-CG 3.14Å; I34-L38 PolarHBondContact O-N 2.86Å
35	S	39.3	Very low	42.1	Very low	70 Å²	70	87.8 Å²	87.8	49%	0.49	49%	0.494	S	S	.	.	H	α-helix	trans	-66.8	-47.8	-177.8	-165	0	0	0	0	111.8	S31 G37 L38 T39	S31-S35 VanDerWaalsContact O-CB 3.23Å; S31-S35 WeakPolarHBondContact O-CB 3.24Å; S31-S35 PolarHBondContact O-N 3.2Å; S35-G37 VanDerWaalsContact C-N 3.33Å; S35-G37 PolarHBondContact O-N 3.01Å; S35-L38 PolarHBondContact O-N 3.02Å; S35-T39 PolarHBondContact O-N 3.41Å; S35-T39 PolarHBondContact O-OG1 2.81Å
36	L	40.6	Very low	42.2	Very low	82 Å²	82	89.5 Å²	89.5	43%	0.429	50%	0.498	S	S	.	.	H	α-helix	trans	-66.2	-33.6	173.5	-92.6	102.9	0	0	0	112.9	L14 L32 T39 A40	L14-L36 HydrophobicContact CD1-CD2 3.88Å; L32-L36 HydrophobicContact CD1-CD1 3.8Å; L32-L36 HydrophobicContact CG-CD1 3.78Å; L32-L36 WeakPolarHBondContact O-CB 3.43Å; L32-L36 WeakPolarHBondContact O-CD1 3.21Å; L32-L36 PolarHBondContact O-N 3.34Å; L36-T39 PolarHBondContact O-N 2.73Å; L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 3.38Å
37	G	40	Very low	42.1	Very low	40 Å²	40	89.6 Å²	89.6	41%	0.412	49%	0.491	S	S	.	.	H	α-helix	trans	-62.9	-42.6	175.4	0	0	0	0	0	112.3	T33 I34 S35 F41	T33-G37 WeakPolarHBondContact O-CA 3.34Å; T33-G37 PolarHBondContact O-N 2.9Å; I34-G37 PolarHBondContact O-N 2.88Å; S35-G37 VanDerWaalsContact C-N 3.33Å; S35-G37 PolarHBondContact O-N 3.01Å; G37-F41 WeakPolarHBondContact O-CB 3.44Å; G37-F41 PolarHBondContact O-N 2.88Å
38	L	42	Very low	42	Very low	107 Å²	107	85.7 Å²	85.7	56%	0.56	47%	0.472	S	S	*	.	H	α-helix	trans	-66.1	-45	174.9	-73.5	168.3	0	0	0	111.6	I34 S35 F41 D42	I34-L38 HydrophobicContact CG2-CD1 3.97Å; I34-L38 WeakPolarHBondContact O-CB 3.11Å; I34-L38 WeakPolarHBondContact O-CG 3.14Å; I34-L38 PolarHBondContact O-N 2.86Å; S35-L38 PolarHBondContact O-N 3.02Å; L38-F41 PolarHBondContact O-N 2.9Å; L38-D42 WeakPolarHBondContact O-CB 3.46Å; L38-D42 PolarHBondContact O-N 3.18Å
39	T	44.7	Very low	42.4	Very low	93 Å²	93	82.7 Å²	82.7	57%	0.571	46%	0.459	S	S	*	.	H	α-helix	trans	-68.3	-38.7	179.9	-38	0	0	0	0	112.2	S35 L36 A43	S35-T39 PolarHBondContact O-N 3.41Å; S35-T39 PolarHBondContact O-OG1 2.81Å; L36-T39 PolarHBondContact O-N 2.73Å; T39-A43 VanDerWaalsContact O-CB 3.26Å; T39-A43 WeakPolarHBondContact O-CB 3.48Å; T39-A43 PolarHBondContact O-N 3.16Å
40	A	43.8	Very low	42.7	Very low	28 Å²	28	89 Å²	89	23%	0.231	48%	0.484	C	S	.	.	H	α-helix	trans	-68.3	-40.8	174.9	0	0	0	0	0	111.1	L14 L36 A43 I44	L14-A40 HydrophobicContact CD2-CB 4.05Å; L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 3.38Å; A40-A43 PolarHBondContact O-N 3.35Å; A40-I44 WeakPolarHBondContact O-CB 3.42Å; A40-I44 WeakPolarHBondContact O-CD1 2.99Å; A40-I44 WeakPolarHBondContact O-CG1 3.38Å; A40-I44 PolarHBondContact O-N 3.25Å
41	F	45.7	Very low	42.8	Very low	132 Å²	132	89.8 Å²	89.8	58%	0.579	48%	0.481	S	S	*	.	H	α-helix	trans	-63.2	-44.6	174.2	-177.5	-97	0	0	0	111.5	G37 L38 I44 R45	G37-F41 WeakPolarHBondContact O-CB 3.44Å; G37-F41 PolarHBondContact O-N 2.88Å; L38-F41 PolarHBondContact O-N 2.9Å; F41-I44 PolarHBondContact O-N 2.59Å; F41-R45 WeakPolarHBondContact O-CB 3.48Å; F41-R45 PolarHBondContact O-N 3.27Å
42	D	49.4	Very low	42.9	Very low	75 Å²	75	91.2 Å²	91.2	40%	0.401	48%	0.481	S	S	.	.	H	α-helix	trans	-67.5	-37	176.8	-95.6	-13.8	0	0	0	112.1	L38 R45 Q46	L38-D42 WeakPolarHBondContact O-CB 3.46Å; L38-D42 PolarHBondContact O-N 3.18Å; D42-R45 PolarHBondContact O-N 2.85Å; D42-R45 IonicContact OD1-NH1 3.94Å; D42-Q46 VanDerWaalsContact O-CB 3.25Å; D42-Q46 WeakPolarHBondContact O-CB 3.15Å; D42-Q46 VanDerWaalsContact O-CG 3.28Å; D42-Q46 WeakPolarHBondContact O-CG 3.4Å; D42-Q46 PolarHBondContact O-N 2.83Å
43	A	46.7	Very low	43.2	Very low	47 Å²	47	92.2 Å²	92.2	39%	0.388	49%	0.487	S	S	.	.	H	α-helix	trans	-66.3	-41.9	174.5	0	0	0	0	0	111.9	T39 A40 Q47	T39-A43 VanDerWaalsContact O-CB 3.26Å; T39-A43 WeakPolarHBondContact O-CB 3.48Å; T39-A43 PolarHBondContact O-N 3.16Å; A40-A43 PolarHBondContact O-N 3.35Å; A43-Q47 WeakPolarHBondContact O-CB 3.43Å; A43-Q47 WeakPolarHBondContact O-CG 3.38Å; A43-Q47 PolarHBondContact O-N 3.44Å
44	I	47.6	Very low	43.5	Very low	96 Å²	96	94.3 Å²	94.3	49%	0.492	49%	0.492	S	S	.	.	H	α-helix	trans	-65.9	-45	174.4	-69.2	165.1	0	0	0	109.7	A40 F41 Q47 V48	A40-I44 WeakPolarHBondContact O-CB 3.42Å; A40-I44 WeakPolarHBondContact O-CD1 2.99Å; A40-I44 WeakPolarHBondContact O-CG1 3.38Å; A40-I44 PolarHBondContact O-N 3.25Å; F41-I44 PolarHBondContact O-N 2.59Å; I44-Q47 PolarHBondContact O-N 3.05Å; I44-V48 HydrophobicContact CG2-CG2 4.23Å; I44-V48 WeakPolarHBondContact O-CB 3.33Å; I44-V48 WeakPolarHBondContact O-CG2 3.18Å; I44-V48 PolarHBondContact O-N 3.44Å
45	R	48.8	Very low	43.4	Very low	145 Å²	145	95.2 Å²	95.2	55%	0.547	51%	0.505	S	S	.	.	H	α-helix	trans	-62.8	-46.2	178.1	-177.9	-173.1	172.9	-153	0.1	111.3	F41 D42 Q47 V48 V49	F41-R45 WeakPolarHBondContact O-CB 3.48Å; F41-R45 PolarHBondContact O-N 3.27Å; D42-R45 PolarHBondContact O-N 2.85Å; D42-R45 IonicContact OD1-NH1 3.94Å; R45-Q47 VanDerWaalsContact C-N 3.34Å; R45-V48 PolarHBondContact O-N 2.93Å; R45-V49 HydrophobicContact CG-CG2 4.3Å; R45-V49 WeakPolarHBondContact O-CB 3.4Å; R45-V49 WeakPolarHBondContact O-CG2 3.34Å; R45-V49 PolarHBondContact O-N 3.32Å
46	Q	48	Very low	43.5	Very low	140 Å²	140	98.5 Å²	98.5	65%	0.654	52%	0.517	S	S	*	.	H	α-helix	trans	-64.4	-39.7	177.1	-78.2	-167.2	2.2	0	0	111.5	D42 V49 K50	D42-Q46 VanDerWaalsContact O-CB 3.25Å; D42-Q46 WeakPolarHBondContact O-CB 3.15Å; D42-Q46 VanDerWaalsContact O-CG 3.28Å; D42-Q46 WeakPolarHBondContact O-CG 3.4Å; D42-Q46 PolarHBondContact O-N 2.83Å; Q46-V49 PolarHBondContact O-N 2.98Å; Q46-K50 WeakPolarHBondContact O-CB 3.14Å; Q46-K50 PolarHBondContact O-N 3.04Å
47	Q	47.2	Very low	43.2	Very low	107 Å²	107	105.5 Å²	105.5	50%	0.5	54%	0.538	S	S	.	.	H	α-helix	trans	-65.2	-44.6	173.1	-78	-165.3	63.2	0	0	111.5	A43 I44 R45 V49 K50 F51	A43-Q47 WeakPolarHBondContact O-CB 3.43Å; A43-Q47 WeakPolarHBondContact O-CG 3.38Å; A43-Q47 PolarHBondContact O-N 3.44Å; I44-Q47 PolarHBondContact O-N 3.05Å; R45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-V49 PolarHBondContact O-N 3.43Å; Q47-K50 PolarHBondContact O-N 3.29Å; Q47-F51 WeakPolarHBondContact O-CB 3.39Å; Q47-F51 PolarHBondContact O-N 3.36Å
48	V	42.6	Very low	42.9	Very low	50 Å²	50	106.8 Å²	106.8	30%	0.303	54%	0.539	S	S	.	.	H	α-helix	trans	-61.1	-44.2	176.1	168.4	0	0	0	0	111	I44 R45 F51 I52	I44-V48 HydrophobicContact CG2-CG2 4.23Å; I44-V48 WeakPolarHBondContact O-CB 3.33Å; I44-V48 WeakPolarHBondContact O-CG2 3.18Å; I44-V48 PolarHBondContact O-N 3.44Å; R45-V48 PolarHBondContact O-N 2.93Å; V48-F51 PolarHBondContact O-N 2.92Å; V48-I52 HydrophobicContact CG1-CD1 3.6Å; V48-I52 HydrophobicContact CG1-CG1 4.33Å; V48-I52 WeakPolarHBondContact O-CB 3.13Å; V48-I52 WeakPolarHBondContact O-CD1 3.39Å; V48-I52 WeakPolarHBondContact O-CG1 3.37Å; V48-I52 PolarHBondContact O-N 2.79Å
49	V	44.1	Very low	42.3	Very low	65 Å²	65	108 Å²	108	39%	0.394	55%	0.551	S	S	.	*	H	α-helix	trans	-67.7	-44.5	178.1	170	0	0	0	0	111.6	R45 Q46 Q47 F51 I52 N53	R45-V49 HydrophobicContact CG-CG2 4.3Å; R45-V49 WeakPolarHBondContact O-CB 3.4Å; R45-V49 WeakPolarHBondContact O-CG2 3.34Å; R45-V49 PolarHBondContact O-N 3.32Å; Q46-V49 PolarHBondContact O-N 2.98Å; Q47-V49 PolarHBondContact O-N 3.43Å; V49-F51 PolarHBondContact O-N 3.05Å; V49-I52 PolarHBondContact O-N 2.58Å; V49-N53 PolarHBondContact O-N 3.22Å; V49-N53 PolarHBondContact O-ND2 2.84Å
50	K	45	Very low	41.7	Very low	159 Å²	159	104.4 Å²	104.4	69%	0.691	53%	0.533	S	S	*	.	H	α-helix	trans	-62.6	-32.5	175.6	-171.9	176.7	-179.1	178.9	0	111.7	Q46 Q47	Q46-K50 WeakPolarHBondContact O-CB 3.14Å; Q46-K50 PolarHBondContact O-N 3.04Å; Q47-K50 PolarHBondContact O-N 3.29Å
51	F	38.2	Very low	41.2	Very low	102 Å²	102	107.9 Å²	107.9	45%	0.447	55%	0.553	S	S	.	*	H	α-helix	trans	-79.1	-35.3	176.9	-157.9	-93.5	0	0	0	112.4	Q47 V48 V49 N53 Q54 P58	Q47-F51 WeakPolarHBondContact O-CB 3.39Å; Q47-F51 PolarHBondContact O-N 3.36Å; V48-F51 PolarHBondContact O-N 2.92Å; V49-F51 PolarHBondContact O-N 3.05Å; F51-N53 VanDerWaalsContact C-N 3.3Å; F51-N53 PolarHBondContact O-N 3.03Å; F51-Q54 PolarHBondContact O-N 2.88Å; F51-P58 WeakPolarHBondContact CE1-O 3.15Å
52	I	35.5	Very low	40.8	Very low	103 Å²	103	105.2 Å²	105.2	53%	0.528	55%	0.548	S	S	.	.	H	α-helix	trans	-64.3	-34.5	172.4	-73.5	163.3	0	0	0	111.4	V48 V49 Q54	V48-I52 HydrophobicContact CG1-CD1 3.6Å; V48-I52 HydrophobicContact CG1-CG1 4.33Å; V48-I52 WeakPolarHBondContact O-CB 3.13Å; V48-I52 WeakPolarHBondContact O-CD1 3.39Å; V48-I52 WeakPolarHBondContact O-CG1 3.37Å; V48-I52 PolarHBondContact O-N 2.79Å; V49-I52 PolarHBondContact O-N 2.58Å; I52-Q54 VanDerWaalsContact C-N 3.3Å; I52-Q54 PolarHBondContact O-N 2.97Å
53	N	41.3	Very low	40.2	Very low	121 Å²	121	108.1 Å²	108.1	65%	0.647	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	6.1	-177.6	-68.2	-21.6	0	0	0	114.2	V49 F51	V49-N53 PolarHBondContact O-N 3.22Å; V49-N53 PolarHBondContact O-ND2 2.84Å; F51-N53 VanDerWaalsContact C-N 3.3Å; F51-N53 PolarHBondContact O-N 3.03Å
54	Q	42.9	Very low	39.8	Very low	110 Å²	110	108 Å²	108	51%	0.514	55%	0.553	S	S	.	*			trans	-83.4	125.5	172.5	-78.6	-172.5	-25.9	0	0	110.4	F51 I52 D56	F51-Q54 PolarHBondContact O-N 2.88Å; I52-Q54 VanDerWaalsContact C-N 3.3Å; I52-Q54 PolarHBondContact O-N 2.97Å; Q54-D56 PolarHBondContact O-N 3.18Å
55	P	39.2	Very low	39.5	Very low	128 Å²	128	106.6 Å²	106.6	83%	0.831	55%	0.546	S	S	*	.	S	Bend	trans	-65	-22.7	-172.2	-19.6	30.5	0	0	0	114.2
56	D	39.9	Very low	39.4	Very low	138 Å²	138	100.5 Å²	100.5	74%	0.738	52%	0.524	S	S	*	.	S	Bend	trans	-124.3	116.6	-175.9	-64.5	-47.9	0	0	0	109.9	Q54	Q54-D56 PolarHBondContact O-N 3.18Å
57	R	34.5	Very low	38.9	Very low	229 Å²	229	99 Å²	99	86%	0.864	53%	0.525	S	S	*	.	S	Bend	trans	100.5	156.7	168.3	-88.6	-175.4	169.8	171	-1.9	119.5
58	P	33.4	Very low	38.7	Very low	68 Å²	68	99 Å²	99	44%	0.442	53%	0.525	S	S	.	.			trans	-84.5	156.4	-130.2	35.1	-36.8	0	0	0	114.9	F51 G60	F51-P58 WeakPolarHBondContact CE1-O 3.15Å; P58-G60 PolarHBondContact O-N 3.42Å
59	T	31.1	Very low	38.9	Very low	131 Å²	131	102.9 Å²	102.9	80%	0.804	54%	0.542	S	S	*	.	S	Bend	trans	-51.7	101.3	-175.4	-33.5	0	0	0	0	114
60	G	31.3	Very low	38.8	Very low	19 Å²	19	106 Å²	106	20%	0.196	55%	0.552	C	S	.	*	S	Bend	trans	80.6	168.5	166.1	0	0	0	0	0	116.8	P58 V62	P58-G60 PolarHBondContact O-N 3.42Å; G60-V62 PolarHBondContact O-N 3.27Å
61	P	33.9	Very low	38.8	Very low	101 Å²	101	100.5 Å²	100.5	66%	0.656	53%	0.531	S	S	*	.			trans	-65.3	101.1	177.1	26.5	-31.9	0	0	0	109.6	L63	P61-L63 PolarHBondContact O-N 2.8Å
62	V	35.4	Very low	39.3	Very low	76 Å²	76	100.9 Å²	100.9	46%	0.461	53%	0.532	S	S	.	.			trans	-68.7	98.2	174.9	177.1	0	0	0	0	108	G60 F64 N65	G60-V62 PolarHBondContact O-N 3.27Å; V62-F64 WeakPolarHBondContact CG1-O 3.33Å; V62-F64 PolarHBondContact O-N 3.34Å; V62-N65 HydrophobicContact CG1-CB 3.77Å
63	L	37.3	Very low	39.7	Very low	135 Å²	135	97.6 Å²	97.6	71%	0.707	52%	0.515	S	S	*	.	S	Bend	trans	-60.3	-32.3	176.2	-119.5	96.3	0	0	0	111.6	P61	P61-L63 PolarHBondContact O-N 2.8Å
64	F	39.6	Very low	39.8	Very low	45 Å²	45	96.8 Å²	96.8	20%	0.197	52%	0.518	C	S	.	.	S	Bend	trans	-140.5	117.2	177.3	-59.9	-71.2	0	0	0	110.3	V62 F66 I107 I157	V62-F64 WeakPolarHBondContact CG1-O 3.33Å; V62-F64 PolarHBondContact O-N 3.34Å; F64-F66 HydrophobicContact CB-CD2 4.25Å; F64-F66 HydrophobicContact CB-CE1 4.26Å; F64-F66 HydrophobicContact CB-CE2 3.36Å; F64-F66 HydrophobicContact CB-CZ 3.36Å; F64-F66 HydrophobicContact CG-CE2 4.41Å; F64-F66 HydrophobicContact CG-CZ 4.06Å; F64-I107 HydrophobicContact CD1-CD1 4.19Å; F64-I107 HydrophobicContact CE1-CD1 3.45Å; F64-I107 VanDerWaalsContact CE1-CD1 3.45Å; F64-I107 HydrophobicContact CE1-CG2 4.04Å; F64-I107 HydrophobicContact CZ-CD1 4.34Å; F64-I107 HydrophobicContact CZ-CG2 3.91Å; F64-I157 HydrophobicContact CB-CD1 4.01Å; F64-I157 HydrophobicContact CD2-CD1 3.72Å; F64-I157 HydrophobicContact CG-CD1 4.26Å
65	N	39.7	Very low	40	Very low	66 Å²	66	95.7 Å²	95.7	35%	0.353	51%	0.512	S	S	.	.			trans	-98.2	100.3	178	-175.7	8.8	0	0	0	110.6	V62 T67 N71	V62-N65 HydrophobicContact CG1-CB 3.77Å; N65-T67 VanDerWaalsContact C-N 3.34Å; N65-T67 PolarHBondContact OD1-N 2.77Å; N65-T67 VanDerWaalsContact OD1-N 3.14Å; N65-T67 PolarHBondContact OD1-OG1 3.42Å; N65-N71 WeakPolarHBondContact O-CB 3.28Å; N65-N71 PolarHBondContact O-ND2 3.29Å
66	F	46.8	Very low	40.3	Very low	18 Å²	18	91.4 Å²	91.4	8%	0.079	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	2.2	178.8	-52.4	-86.7	0	0	0	114	F64 E68 N71 L73 W76 I157	F64-F66 HydrophobicContact CB-CD2 4.25Å; F64-F66 HydrophobicContact CB-CE1 4.26Å; F64-F66 HydrophobicContact CB-CE2 3.36Å; F64-F66 HydrophobicContact CB-CZ 3.36Å; F64-F66 HydrophobicContact CG-CE2 4.41Å; F64-F66 HydrophobicContact CG-CZ 4.06Å; F66-E68 VanDerWaalsContact C-N 3.33Å; F66-N71 WeakPolarHBondContact CA-O 3.25Å; F66-N71 WeakPolarHBondContact CB-O 3.17Å; F66-N71 WeakPolarHBondContact CD1-O 3.27Å; F66-L73 HydrophobicContact CD1-CB 4.29Å; F66-L73 HydrophobicContact CD1-CD1 3.41Å; F66-L73 VanDerWaalsContact CD1-CD1 3.41Å; F66-L73 HydrophobicContact CD1-CG 4.48Å; F66-L73 HydrophobicContact CD2-CD1 4.05Å; F66-L73 HydrophobicContact CE1-CD1 3.48Å; F66-L73 VanDerWaalsContact CE1-CD1 3.48Å; F66-L73 HydrophobicContact CE2-CD1 4.08Å; F66-L73 HydrophobicContact CG-CB 4.49Å; F66-L73 HydrophobicContact CG-CD1 3.74Å; F66-L73 HydrophobicContact CZ-CD1 3.82Å; F66-W76 HydrophobicContact CE1-CG 4.45Å; F66-I157 HydrophobicContact CE2-CD1 3.35Å; F66-I157 HydrophobicContact CE2-CG1 3.64Å; F66-I157 HydrophobicContact CZ-CD1 3.71Å; F66-I157 HydrophobicContact CZ-CG1 4.23Å
67	T	38.6	Very low	40.4	Very low	109 Å²	109	88.7 Å²	88.7	67%	0.669	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-21.2	177.3	59.6	0	0	0	0	112.8	N65	N65-T67 VanDerWaalsContact C-N 3.34Å; N65-T67 PolarHBondContact OD1-N 2.77Å; N65-T67 VanDerWaalsContact OD1-N 3.14Å; N65-T67 PolarHBondContact OD1-OG1 3.42Å
68	E	42	Very low	41	Very low	107 Å²	107	83.7 Å²	83.7	50%	0.5	45%	0.45	S	S	.	.	S	Bend	trans	-72.3	133.8	171.4	-72.2	179.6	-178.9	0	0	110.6	F66 Q70 N71 K72	F66-E68 VanDerWaalsContact C-N 3.33Å; E68-Q70 PolarHBondContact O-N 3.15Å; E68-N71 CarbonylContact O-C 3.46Å; E68-N71 WeakPolarHBondContact O-CA 3.44Å; E68-N71 PolarHBondContact O-N 2.94Å; E68-K72 PolarHBondContact O-N 2.77Å
69	I	46.5	Very low	41.4	Very low	130 Å²	130	84.2 Å²	84.2	67%	0.667	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-50.4	-33.5	-178.9	-76.6	169.5	0	0	0	112.6	N71	I69-N71 VanDerWaalsContact C-N 3.33Å
70	Q	43.8	Very low	41.9	Very low	131 Å²	131	80.2 Å²	80.2	61%	0.612	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-67.8	-36.3	178.5	-59.8	-150	23.3	0	0	111.5	E68 R95	E68-Q70 PolarHBondContact O-N 3.15Å; Q70-R95 PolarHBondContact O-NE 3.45Å; Q70-R95 PolarHBondContact O-NH2 3.33Å
71	N	44.7	Very low	42.2	Very low	43 Å²	43	84.5 Å²	84.5	23%	0.23	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-101.1	20.8	-175.9	-63.5	-30.2	0	0	0	112.4	N65 F66 E68 I69 L73	N65-N71 WeakPolarHBondContact O-CB 3.28Å; N65-N71 PolarHBondContact O-ND2 3.29Å; F66-N71 WeakPolarHBondContact CA-O 3.25Å; F66-N71 WeakPolarHBondContact CB-O 3.17Å; F66-N71 WeakPolarHBondContact CD1-O 3.27Å; E68-N71 CarbonylContact O-C 3.46Å; E68-N71 WeakPolarHBondContact O-CA 3.44Å; E68-N71 PolarHBondContact O-N 2.94Å; I69-N71 VanDerWaalsContact C-N 3.33Å; N71-L73 PolarHBondContact O-N 3.24Å
72	K	47.4	Very low	42.3	Very low	110 Å²	110	85.2 Å²	85.2	48%	0.478	45%	0.447	S	S	.	.			trans	-50.7	131.8	176.5	-85	-169.3	176.6	-173.6	0	111.2	E68 C74 K75	E68-K72 PolarHBondContact O-N 2.77Å; K72-C74 VanDerWaalsContact C-N 3.27Å; K72-C74 PolarHBondContact O-N 3.49Å; K72-K75 WeakPolarHBondContact O-CA 3.26Å; K72-K75 VanDerWaalsContact O-CB 3.29Å; K72-K75 WeakPolarHBondContact O-CB 3.29Å; K72-K75 PolarHBondContact O-N 3.46Å
73	L	43.6	Very low	42.3	Very low	34 Å²	34	88.4 Å²	88.4	18%	0.178	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-58.2	-34.9	-174.2	-162.7	77.9	0	0	0	113.7	F66 N71 K75 W76 A141 D143	F66-L73 HydrophobicContact CD1-CB 4.29Å; F66-L73 HydrophobicContact CD1-CD1 3.41Å; F66-L73 VanDerWaalsContact CD1-CD1 3.41Å; F66-L73 HydrophobicContact CD1-CG 4.48Å; F66-L73 HydrophobicContact CD2-CD1 4.05Å; F66-L73 HydrophobicContact CE1-CD1 3.48Å; F66-L73 VanDerWaalsContact CE1-CD1 3.48Å; F66-L73 HydrophobicContact CE2-CD1 4.08Å; F66-L73 HydrophobicContact CG-CB 4.49Å; F66-L73 HydrophobicContact CG-CD1 3.74Å; F66-L73 HydrophobicContact CZ-CD1 3.82Å; N71-L73 PolarHBondContact O-N 3.24Å; L73-K75 PolarHBondContact O-N 2.94Å; L73-W76 PolarHBondContact O-N 3.42Å; L73-A141 HydrophobicContact CD1-CB 3.4Å; L73-A141 VanDerWaalsContact CD1-CB 3.4Å; L73-A141 HydrophobicContact CD2-CB 3.48Å; L73-A141 VanDerWaalsContact CD2-CB 3.48Å; L73-A141 HydrophobicContact CG-CB 3.96Å; L73-D143 HydrophobicContact CD2-CB 4.39Å
74	C	44.7	Very low	42.5	Very low	104 Å²	104	84 Å²	84	70%	0.703	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-62	-11.9	174.1	58	0	0	0	0	113.9	K72	K72-C74 VanDerWaalsContact C-N 3.27Å; K72-C74 PolarHBondContact O-N 3.49Å
75	K	47.6	Very low	42.6	Very low	87 Å²	87	88.7 Å²	88.7	38%	0.378	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-95.4	25.4	170.3	-60.2	-170.5	175.6	-177.8	0	112.2	K72 L73 R95 H96	K72-K75 WeakPolarHBondContact O-CA 3.26Å; K72-K75 VanDerWaalsContact O-CB 3.29Å; K72-K75 WeakPolarHBondContact O-CB 3.29Å; K72-K75 PolarHBondContact O-N 3.46Å; L73-K75 PolarHBondContact O-N 2.94Å; K75-R95 CarbonylContact O-C 3.28Å; K75-R95 VanDerWaalsContact O-C 3.28Å; K75-R95 WeakPolarHBondContact O-CA 3.27Å; K75-R95 WeakPolarHBondContact O-CG 3.41Å; K75-H96 VanDerWaalsContact C-CB 3.44Å; K75-H96 WeakPolarHBondContact O-CA 3.42Å; K75-H96 WeakPolarHBondContact O-CB 3.43Å; K75-H96 PolarHBondContact O-N 2.97Å
76	W	45	Very low	42.4	Very low	38 Å²	38	94.8 Å²	94.8	14%	0.144	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.6	174.7	-64.5	82.1	0	0	0	109.6	F66 L73 L93 V94 R95 I107	F66-W76 HydrophobicContact CE1-CG 4.45Å; L73-W76 PolarHBondContact O-N 3.42Å; W76-L93 HydrophobicContact CE3-CB 4.17Å; W76-V94 CarbonylContact C-O 3.59Å; W76-V94 VanDerWaalsContact CA-O 3.27Å; W76-V94 WeakPolarHBondContact CA-O 3.11Å; W76-R95 HydrophobicContact CD2-CB 3.98Å; W76-R95 HydrophobicContact CD2-CG 4.2Å; W76-R95 HydrophobicContact CE3-CB 3.97Å; W76-R95 HydrophobicContact CH2-CB 3.83Å; W76-R95 HydrophobicContact CH2-CG 4.33Å; W76-R95 HydrophobicContact CZ2-CB 3.85Å; W76-R95 HydrophobicContact CZ2-CG 3.84Å; W76-R95 HydrophobicContact CZ3-CB 3.89Å; W76-I107 HydrophobicContact CH2-CD1 3.88Å; W76-I107 HydrophobicContact CZ3-CD1 4.08Å; W76-I107 HydrophobicContact CZ3-CG1 4.38Å
77	I	41.6	Very low	42	Very low	82 Å²	82	95.3 Å²	95.3	42%	0.421	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.2	175.9	-2.2	169.5	0	0	0	109.3	V94 H96	I77-V94 PolarHBondContact N-O 3.37Å; I77-V94 PolarHBondContact O-N 3.04Å; I77-V94 VanDerWaalsContact O-N 3.16Å; I77-H96 HydrophobicContact CD1-CB 4.4Å; I77-H96 WeakPolarHBondContact CD1-CD2 3.09Å; I77-H96 HydrophobicContact CG1-CB 3.86Å
78	E	47.1	Very low	42	Very low	124 Å²	124	97.8 Å²	97.8	58%	0.579	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	119.8	168.2	-174.4	-175.2	166.2	0	0	108.6
79	L	40.8	Very low	41.9	Very low	79 Å²	79	97.2 Å²	97.2	41%	0.414	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120	170.5	-81.3	158.7	0	0	0	108.3	V92 V94	L79-V92 PolarHBondContact N-O 3.34Å; L79-V92 PolarHBondContact O-N 3.42Å; L79-V94 HydrophobicContact CD1-CB 4.19Å; L79-V94 HydrophobicContact CD1-CG2 3.7Å
80	S	42.1	Very low	41.7	Very low	46 Å²	46	94.8 Å²	94.8	32%	0.322	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	113.9	167.7	86.4	0	0	0	0	108.4	T82	S80-T82 PolarHBondContact O-N 2.83Å
81	D	37.8	Very low	41.5	Very low	109 Å²	109	89.9 Å²	89.9	58%	0.583	50%	0.498	S	S	*	.			trans	-75.6	116.6	174.7	-87.6	-24.2	0	0	0	109.5
82	T	36	Very low	41.5	Very low	117 Å²	117	88.1 Å²	88.1	72%	0.718	49%	0.489	S	S	*	.			trans	65.5	125.9	166.3	55.8	0	0	0	0	119	S80 G84	S80-T82 PolarHBondContact O-N 2.83Å; T82-G84 VanDerWaalsContact C-N 3.26Å; T82-G84 PolarHBondContact O-N 3.48Å
83	V	36.7	Very low	41.3	Very low	142 Å²	142	84.5 Å²	84.5	86%	0.861	47%	0.474	S	S	*	.			trans	-79.9	76.3	166.2	-176	0	0	0	0	107.9
84	G	40.6	Very low	41.4	Very low	44 Å²	44	83.4 Å²	83.4	45%	0.454	47%	0.469	S	S	.	.			trans	-84	150.6	169	0	0	0	0	0	111.8	T82 E86 G87	T82-G84 VanDerWaalsContact C-N 3.26Å; T82-G84 PolarHBondContact O-N 3.48Å; G84-E86 PolarHBondContact O-N 3.5Å; G84-G87 PolarHBondContact O-N 2.76Å
85	V	41.2	Very low	41.3	Very low	142 Å²	142	80.8 Å²	80.8	86%	0.861	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.6	-179.4	-167.7	0	0	0	0	112.7
86	E	36.9	Very low	41	Very low	194 Å²	194	81.6 Å²	81.6	91%	0.907	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.7	-174.6	-60.1	-169.3	158.4	0	0	115.2	G84	G84-E86 PolarHBondContact O-N 3.5Å
87	G	37	Very low	40.8	Very low	29 Å²	29	83.5 Å²	83.5	30%	0.299	47%	0.465	S	S	.	.			trans	94	139.4	177	0	0	0	0	0	114	G84 S89	G84-G87 PolarHBondContact O-N 2.76Å; G87-S89 PolarHBondContact O-N 3.29Å; G87-S89 PolarHBondContact O-OG 2.79Å; G87-S89 VanDerWaalsContact O-OG 3.08Å
88	R	38.9	Very low	40.5	Very low	162 Å²	162	82.7 Å²	82.7	61%	0.611	47%	0.471	S	S	*	.			trans	-44.9	120.8	-177.7	-75	178.5	168.3	169.2	-2.5	112.4
89	S	39	Very low	40	Very low	94 Å²	94	87.5 Å²	87.5	66%	0.657	49%	0.485	S	S	*	.			trans	-124.4	-12.3	-178.7	-61.2	0	0	0	0	115.9	G87	G87-S89 PolarHBondContact O-N 3.29Å; G87-S89 PolarHBondContact O-OG 2.79Å; G87-S89 VanDerWaalsContact O-OG 3.08Å
90	D	42.7	Very low	39.4	Very low	80 Å²	80	89.8 Å²	89.8	43%	0.428	50%	0.496	S	S	.	.			trans	-131.3	113.3	175.7	-81.1	-30.8	0	0	0	111.1
91	A	39.8	Very low	39.2	Very low	28 Å²	28	93.4 Å²	93.4	23%	0.231	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	113.6	164.2	0	0	0	0	0	107.7	F111	A91-F111 HydrophobicContact CB-CE2 4.44Å
92	V	44.2	Very low	39	Very low	6 Å²	6	99 Å²	99	4%	0.036	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.4	179	-174	0	0	0	0	108.6	L79 V94 Q106	L79-V92 PolarHBondContact N-O 3.34Å; L79-V92 PolarHBondContact O-N 3.42Å; V92-V94 HydrophobicContact CB-CG2 4.35Å; V92-V94 HydrophobicContact CG1-CG2 3.64Å; V92-Q106 HydrophobicContact CG1-CG 3.42Å; V92-Q106 VanDerWaalsContact CG1-CG 3.42Å
93	L	44.7	Very low	38.8	Very low	34 Å²	34	96.9 Å²	96.9	18%	0.178	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.4	168.3	-81.6	162	0	0	0	108.4	W76	W76-L93 HydrophobicContact CE3-CB 4.17Å
94	V	44.4	Very low	38.7	Very low	11 Å²	11	99.1 Å²	99.1	7%	0.067	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.3	179.5	-166.1	0	0	0	0	109.3	W76 I77 L79 V92 H96 R104 Q106	W76-V94 CarbonylContact C-O 3.59Å; W76-V94 VanDerWaalsContact CA-O 3.27Å; W76-V94 WeakPolarHBondContact CA-O 3.11Å; I77-V94 PolarHBondContact N-O 3.37Å; I77-V94 PolarHBondContact O-N 3.04Å; I77-V94 VanDerWaalsContact O-N 3.16Å; L79-V94 HydrophobicContact CD1-CB 4.19Å; L79-V94 HydrophobicContact CD1-CG2 3.7Å; V92-V94 HydrophobicContact CB-CG2 4.35Å; V92-V94 HydrophobicContact CG1-CG2 3.64Å; V94-H96 PolarHBondContact O-N 2.74Å; V94-H96 VanDerWaalsContact O-N 3.15Å; V94-R104 HydrophobicContact CG1-CB 4.27Å; V94-Q106 HydrophobicContact CG2-CG 4.41Å
95	R	43.2	Very low	38.5	Very low	48 Å²	48	103 Å²	103	18%	0.181	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	114.9	175	-160.9	173.5	175.7	-143	-0.3	108.7	Q70 K75 W76 V97	Q70-R95 PolarHBondContact O-NE 3.45Å; Q70-R95 PolarHBondContact O-NH2 3.33Å; K75-R95 CarbonylContact O-C 3.28Å; K75-R95 VanDerWaalsContact O-C 3.28Å; K75-R95 WeakPolarHBondContact O-CA 3.27Å; K75-R95 WeakPolarHBondContact O-CG 3.41Å; W76-R95 HydrophobicContact CD2-CB 3.98Å; W76-R95 HydrophobicContact CD2-CG 4.2Å; W76-R95 HydrophobicContact CE3-CB 3.97Å; W76-R95 HydrophobicContact CH2-CB 3.83Å; W76-R95 HydrophobicContact CH2-CG 4.33Å; W76-R95 HydrophobicContact CZ2-CB 3.85Å; W76-R95 HydrophobicContact CZ2-CG 3.84Å; W76-R95 HydrophobicContact CZ3-CB 3.89Å; R95-V97 HydrophobicContact CB-CG2 4.29Å; R95-V97 HydrophobicContact CG-CG2 4.14Å; R95-V97 PolarHBondContact O-N 2.88Å
96	H	40.8	Very low	38.6	Very low	105 Å²	105	101.6 Å²	101.6	49%	0.486	52%	0.519	S	S	.	.			trans	-63.7	77	165.3	-159.7	-120.8	0	0	0	109.4	K75 I77 V94	K75-H96 VanDerWaalsContact C-CB 3.44Å; K75-H96 WeakPolarHBondContact O-CA 3.42Å; K75-H96 WeakPolarHBondContact O-CB 3.43Å; K75-H96 PolarHBondContact O-N 2.97Å; I77-H96 HydrophobicContact CD1-CB 4.4Å; I77-H96 WeakPolarHBondContact CD1-CD2 3.09Å; I77-H96 HydrophobicContact CG1-CB 3.86Å; V94-H96 PolarHBondContact O-N 2.74Å; V94-H96 VanDerWaalsContact O-N 3.15Å
97	V	41.4	Very low	38.9	Very low	78 Å²	78	94.9 Å²	94.9	47%	0.473	49%	0.489	S	S	.	.			trans	-80.8	125.9	161.3	-164.7	0	0	0	0	105.1	R95 Y99	R95-V97 HydrophobicContact CB-CG2 4.29Å; R95-V97 HydrophobicContact CG-CG2 4.14Å; R95-V97 PolarHBondContact O-N 2.88Å; V97-Y99 PolarHBondContact O-N 3.41Å
98	A	34.2	Very low	39.3	Very low	65 Å²	65	100.6 Å²	100.6	54%	0.537	51%	0.506	S	S	.	.			trans	-44.3	144.6	175	0	0	0	0	0	109.9	I100	A98-I100 HydrophobicContact CB-CG1 4.38Å; A98-I100 PolarHBondContact O-N 2.88Å
99	Y	36.6	Very low	39.5	Very low	225 Å²	225	94.3 Å²	94.3	88%	0.882	48%	0.484	S	S	*	.	S	Bend	trans	-57.7	72.4	-172.4	-151.7	-91.1	0	0	0	112.4	V97	V97-Y99 PolarHBondContact O-N 3.41Å
100	I	29.7	Very low	39.6	Very low	126 Å²	126	92.4 Å²	92.4	65%	0.646	47%	0.47	S	S	*	.	S	Bend	trans	-143.9	93.2	-179.7	-24.1	174.9	0	0	0	107.8	A98 R102	A98-I100 HydrophobicContact CB-CG1 4.38Å; A98-I100 PolarHBondContact O-N 2.88Å; I100-R102 PolarHBondContact O-N 3.08Å
101	S	38.5	Very low	39.5	Very low	123 Å²	123	90.9 Å²	90.9	86%	0.86	46%	0.46	S	S	*	.	S	Bend	trans	25.7	11.2	155.4	66.2	0	0	0	0	123.8
102	R	32.1	Very low	39.7	Very low	226 Å²	226	97 Å²	97	85%	0.853	48%	0.483	S	S	*	.	S	Bend	trans	-124	102.1	176.8	-69.5	-166.1	-177.5	-145	2.6	110.9	I100	I100-R102 PolarHBondContact O-N 3.08Å
103	G	33.2	Very low	39.3	Very low	73 Å²	73	100.5 Å²	100.5	75%	0.753	50%	0.504	S	S	*	.			trans	32	105.8	160.5	0	0	0	0	0	117.8	Q105	G103-Q105 PolarHBondContact O-N 3.34Å
104	R	32.7	Very low	39	Very low	188 Å²	188	102 Å²	102	71%	0.709	51%	0.51	S	S	*	.			trans	-67.4	130	169.5	-60.8	177.9	-170.7	170.4	2.8	109.4	V94	V94-R104 HydrophobicContact CG1-CB 4.27Å
105	Q	38.2	Very low	38.7	Very low	127 Å²	127	110.3 Å²	110.3	59%	0.593	55%	0.545	S	S	*	.			trans	-88.5	111.6	171.4	-141.9	171.1	9.1	0	0	108.2	G103	G103-Q105 PolarHBondContact O-N 3.34Å
106	Q	42.6	Very low	38.3	Very low	111 Å²	111	111.5 Å²	111.5	52%	0.519	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.8	128.3	-175.3	-161.3	179.1	24.8	0	0	108.9	V92 V94	V92-Q106 HydrophobicContact CG1-CG 3.42Å; V92-Q106 VanDerWaalsContact CG1-CG 3.42Å; V94-Q106 HydrophobicContact CG2-CG 4.41Å
107	I	42.3	Very low	37.9	Very low	54 Å²	54	112 Å²	112	28%	0.277	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.5	102.2	175.8	-53	-173.3	0	0	0	107.2	F64 W76	F64-I107 HydrophobicContact CD1-CD1 4.19Å; F64-I107 HydrophobicContact CE1-CD1 3.45Å; F64-I107 VanDerWaalsContact CE1-CD1 3.45Å; F64-I107 HydrophobicContact CE1-CG2 4.04Å; F64-I107 HydrophobicContact CZ-CD1 4.34Å; F64-I107 HydrophobicContact CZ-CG2 3.91Å; W76-I107 HydrophobicContact CH2-CD1 3.88Å; W76-I107 HydrophobicContact CZ3-CD1 4.08Å; W76-I107 HydrophobicContact CZ3-CG1 4.38Å
108	K	45.6	Very low	37.4	Very low	148 Å²	148	113.6 Å²	113.6	64%	0.643	57%	0.572	S	S	*	*			trans	-81.2	120.8	171.7	-85.5	-173.7	174.1	-174.2	0	108.7	P110	K108-P110 WeakPolarHBondContact O-CD 3.45Å
109	L	44.5	Very low	37.2	Very low	30 Å²	30	119 Å²	119	16%	0.157	59%	0.586	C	S	.	*			trans	-95.2	108.5	168.5	-67.6	170.7	0	0	0	107.3	F111 I139	L109-F111 VanDerWaalsContact C-N 3.3Å; L109-F111 HydrophobicContact CB-CD2 4.42Å; L109-F111 HydrophobicContact CB-CE1 4.24Å; L109-F111 HydrophobicContact CB-CE2 3.81Å; L109-F111 HydrophobicContact CB-CZ 3.72Å; L109-F111 HydrophobicContact CD1-CZ 3.98Å; L109-F111 WeakPolarHBondContact O-CD2 3.09Å; L109-F111 PolarHBondContact O-N 3.08Å; L109-I139 HydrophobicContact CD1-CD1 3.79Å
110	P	41.4	Very low	36.9	Very low	55 Å²	55	110.6 Å²	110.6	36%	0.357	56%	0.563	S	S	.	*			trans	-75.9	82	-175.8	30.5	-33.9	0	0	0	110	K108 H112 T113 F114	K108-P110 WeakPolarHBondContact O-CD 3.45Å; P110-H112 PolarHBondContact O-N 3.4Å; P110-T113 PolarHBondContact O-N 3.02Å; P110-T113 PolarHBondContact O-OG1 2.87Å; P110-F114 HydrophobicContact CG-CE2 4.34Å; P110-F114 VanDerWaalsContact O-CD2 3.27Å; P110-F114 WeakPolarHBondContact O-CD2 3.3Å
111	F	39.9	Very low	36.8	Very low	48 Å²	48	111 Å²	111	21%	0.211	57%	0.572	C	S	.	*	H	α-helix	trans	-56.8	-25.1	-175.7	-68.6	-70.4	0	0	0	114.2	A91 L109 T113 F114 L137 I139	A91-F111 HydrophobicContact CB-CE2 4.44Å; L109-F111 VanDerWaalsContact C-N 3.3Å; L109-F111 HydrophobicContact CB-CD2 4.42Å; L109-F111 HydrophobicContact CB-CE1 4.24Å; L109-F111 HydrophobicContact CB-CE2 3.81Å; L109-F111 HydrophobicContact CB-CZ 3.72Å; L109-F111 HydrophobicContact CD1-CZ 3.98Å; L109-F111 WeakPolarHBondContact O-CD2 3.09Å; L109-F111 PolarHBondContact O-N 3.08Å; F111-T113 VanDerWaalsContact C-N 3.28Å; F111-T113 PolarHBondContact O-N 3.2Å; F111-F114 HydrophobicContact CD1-CD2 4.48Å; F111-F114 PolarHBondContact O-N 3.22Å; F111-L137 HydrophobicContact CD1-CD1 4.04Å; F111-L137 HydrophobicContact CD1-CD2 4.46Å; F111-L137 HydrophobicContact CE1-CD1 3.84Å; F111-L137 HydrophobicContact CE1-CD2 3.55Å; F111-L137 HydrophobicContact CE1-CG 4.19Å; F111-L137 HydrophobicContact CZ-CD2 3.98Å; F111-I139 HydrophobicContact CZ-CD1 4.23Å
112	H	42.8	Very low	36.5	Very low	156 Å²	156	109.7 Å²	109.7	72%	0.722	55%	0.552	S	S	*	*	H	α-helix	trans	-63.9	-27.8	176.1	67.4	-87.1	0	0	0	113.7	P110	P110-H112 PolarHBondContact O-N 3.4Å
113	T	37.1	Very low	36.3	Very low	79 Å²	79	104.8 Å²	104.8	49%	0.485	55%	0.552	S	S	.	*	H	α-helix	trans	-86.2	-20	175.3	50.7	0	0	0	0	113.2	P110 F111 K115	P110-T113 PolarHBondContact O-N 3.02Å; P110-T113 PolarHBondContact O-OG1 2.87Å; F111-T113 VanDerWaalsContact C-N 3.28Å; F111-T113 PolarHBondContact O-N 3.2Å; T113-K115 VanDerWaalsContact C-N 3.3Å; T113-K115 PolarHBondContact O-N 3.02Å
114	F	37.7	Very low	36.4	Very low	67 Å²	67	103.7 Å²	103.7	29%	0.294	53%	0.533	S	S	.	.	H	α-helix	trans	-76.3	-14.1	-179.7	-76.4	-73.4	0	0	0	114.2	P110 F111 A116 N117 F118	P110-F114 HydrophobicContact CG-CE2 4.34Å; P110-F114 VanDerWaalsContact O-CD2 3.27Å; P110-F114 WeakPolarHBondContact O-CD2 3.3Å; F111-F114 HydrophobicContact CD1-CD2 4.48Å; F111-F114 PolarHBondContact O-N 3.22Å; F114-A116 PolarHBondContact O-N 2.9Å; F114-A116 VanDerWaalsContact O-N 3.14Å; F114-N117 PolarHBondContact O-N 3.16Å; F114-F118 HydrophobicContact CB-CD2 3.91Å; F114-F118 HydrophobicContact CB-CE2 4.11Å; F114-F118 HydrophobicContact CD1-CD2 4.25Å; F114-F118 AromaticContact CD1-CE2 3.8Å; F114-F118 HydrophobicContact CD1-CE2 3.8Å; F114-F118 HydrophobicContact CG-CD2 4.46Å; F114-F118 HydrophobicContact CG-CE2 4.2Å; F114-F118 PolarHBondContact O-N 2.95Å
115	K	38.1	Very low	36.5	Very low	185 Å²	185	102.3 Å²	102.3	80%	0.804	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.1	-177.2	-155.9	-179.8	-175.7	-175.8	0	113.5	T113	T113-K115 VanDerWaalsContact C-N 3.3Å; T113-K115 PolarHBondContact O-N 3.02Å
116	A	35.4	Very low	36.7	Very low	72 Å²	72	102.1 Å²	102.1	60%	0.595	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-27.5	177.5	0	0	0	0	0	113.6	F114	F114-A116 PolarHBondContact O-N 2.9Å; F114-A116 VanDerWaalsContact O-N 3.14Å
117	N	31.8	Very low	37.1	Very low	116 Å²	116	99.4 Å²	99.4	62%	0.62	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-17.3	-172.5	-66.5	-40.2	0	0	0	113.4	F114 Q119	F114-N117 PolarHBondContact O-N 3.16Å; N117-Q119 PolarHBondContact O-N 3.35Å
118	F	32	Very low	37.7	Very low	112 Å²	112	99.3 Å²	99.3	49%	0.491	55%	0.546	S	S	.	.			trans	-93.8	73.4	168.2	-78.7	-92.3	0	0	0	109.8	F114 A120	F114-F118 HydrophobicContact CB-CD2 3.91Å; F114-F118 HydrophobicContact CB-CE2 4.11Å; F114-F118 HydrophobicContact CD1-CD2 4.25Å; F114-F118 AromaticContact CD1-CE2 3.8Å; F114-F118 HydrophobicContact CD1-CE2 3.8Å; F114-F118 HydrophobicContact CG-CD2 4.46Å; F114-F118 HydrophobicContact CG-CE2 4.2Å; F114-F118 PolarHBondContact O-N 2.95Å; F118-A120 PolarHBondContact O-N 3.33Å
119	Q	29.3	Very low	38.6	Very low	177 Å²	177	96.6 Å²	96.6	83%	0.827	54%	0.543	S	S	*	.			trans	-76	70.4	164.2	-66.6	-166.5	29.2	0	0	109.3	N117 T121	N117-Q119 PolarHBondContact O-N 3.35Å; Q119-T121 PolarHBondContact O-N 3.01Å
120	A	30.5	Very low	39.3	Very low	50 Å²	50	101.3 Å²	101.3	41%	0.413	56%	0.563	S	S	.	*			trans	-77.9	111.9	159.2	0	0	0	0	0	106.5	F118 Q122 Y161	F118-A120 PolarHBondContact O-N 3.33Å; A120-Q122 PolarHBondContact O-N 2.91Å; A120-Y161 HydrophobicContact CB-CD1 4.36Å; A120-Y161 HydrophobicContact CB-CE1 4.23Å
121	T	27	Very low	39.5	Very low	135 Å²	135	102.3 Å²	102.3	83%	0.828	56%	0.561	S	S	*	*			trans	-62.2	108.7	174.7	-35.3	0	0	0	0	107.7	Q119 S123	Q119-T121 PolarHBondContact O-N 3.01Å; T121-S123 PolarHBondContact O-N 3.18Å
122	Q	32.2	Very low	40.1	Very low	94 Å²	94	106.1 Å²	106.1	44%	0.439	58%	0.578	S	S	.	*			trans	-71.3	98.3	178	-175.7	-172.7	-54.1	0	0	108.8	A120 S124 I163	A120-Q122 PolarHBondContact O-N 2.91Å; Q122-S124 VanDerWaalsContact C-N 3.26Å; Q122-S124 PolarHBondContact NE2-OG 3.48Å; Q122-S124 PolarHBondContact O-N 3.44Å; Q122-I163 HydrophobicContact CG-CD1 4.36Å
123	S	28.9	Very low	40.3	Very low	123 Å²	123	100.9 Å²	100.9	86%	0.86	55%	0.554	S	S	*	*			trans	-76.9	78.1	167.3	51.1	0	0	0	0	109.3	T121	T121-S123 PolarHBondContact O-N 3.18Å
124	S	35.3	Very low	40.6	Very low	51 Å²	51	98.7 Å²	98.7	36%	0.357	54%	0.54	S	S	.	.			trans	-108.9	109.3	165.3	64.2	0	0	0	0	109.7	Q122 S126	Q122-S124 VanDerWaalsContact C-N 3.26Å; Q122-S124 PolarHBondContact NE2-OG 3.48Å; Q122-S124 PolarHBondContact O-N 3.44Å; S124-S126 PolarHBondContact O-N 3.46Å
125	N	33.4	Very low	40.9	Very low	158 Å²	158	100 Å²	100	85%	0.845	55%	0.554	S	S	*	*			trans	-48.6	137.9	151.6	-65.1	-23.5	0	0	0	107.5	L127	N125-L127 PolarHBondContact O-N 2.87Å; N125-L127 VanDerWaalsContact O-N 3.08Å
126	S	43.7	Very low	41.2	Very low	123 Å²	123	96.4 Å²	96.4	86%	0.86	54%	0.535	S	S	*	.			trans	-31.1	111.9	-172.1	47.4	0	0	0	0	113.3	S124 S128	S124-S126 PolarHBondContact O-N 3.46Å; S126-S128 PolarHBondContact O-N 2.71Å
127	L	50.5	Low	41.8	Very low	55 Å²	55	95.9 Å²	95.9	29%	0.288	52%	0.522	S	S	.	.			trans	-62.9	127.6	176.4	-113.6	89.1	0	0	0	108.9	N125 F131 Q133 L165	N125-L127 PolarHBondContact O-N 2.87Å; N125-L127 VanDerWaalsContact O-N 3.08Å; L127-F131 HydrophobicContact CD2-CB 4.27Å; L127-Q133 HydrophobicContact CD2-CB 3.74Å; L127-Q133 HydrophobicContact CD2-CG 4.42Å; L127-L165 HydrophobicContact CD1-CD2 4.07Å; L127-L165 HydrophobicContact CD2-CD2 3.36Å; L127-L165 HydrophobicContact CG-CD2 3.77Å
128	S	55.5	Low	42.5	Very low	52 Å²	52	96.6 Å²	96.6	36%	0.364	52%	0.516	S	S	.	.			trans	-54.6	136.1	172.4	170.1	0	0	0	0	110.4	S126 F130 F131	S126-S128 PolarHBondContact O-N 2.71Å; S128-F130 PolarHBondContact O-N 3Å; S128-F130 WeakPolarHBondContact OG-CD2 3.47Å; S128-F131 PolarHBondContact O-N 3.43Å
129	P	63.2	Low	43.5	Very low	90 Å²	90	92.9 Å²	92.9	58%	0.584	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.9	-168.9	20.8	-32.4	0	0	0	114.2	F131 K168	P129-F131 VanDerWaalsContact C-N 3.34Å; P129-K168 WeakPolarHBondContact O-CD 3.35Å; P129-K168 WeakPolarHBondContact O-CE 3.37Å; P129-K168 PolarHBondContact O-NZ 3.48Å
130	F	59.8	Low	44.5	Very low	130 Å²	130	87.5 Å²	87.5	57%	0.57	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-17.5	177.4	-56.1	-71	0	0	0	114	S128 L167 K168	S128-F130 PolarHBondContact O-N 3Å; S128-F130 WeakPolarHBondContact OG-CD2 3.47Å; F130-L167 HydrophobicContact CB-CD2 4.45Å; F130-L167 WeakPolarHBondContact O-CA 3.17Å; F130-K168 PolarHBondContact O-N 2.65Å
131	F	46.2	Very low	45.5	Very low	76 Å²	76	86.8 Å²	86.8	33%	0.333	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.2	-178.7	-61.1	-74	0	0	0	111	L127 S128 P129 L165 K166 L167	L127-F131 HydrophobicContact CD2-CB 4.27Å; S128-F131 PolarHBondContact O-N 3.43Å; P129-F131 VanDerWaalsContact C-N 3.34Å; F131-L165 HydrophobicContact CB-CB 4.22Å; F131-L165 HydrophobicContact CB-CD2 4.32Å; F131-L165 HydrophobicContact CD1-CB 4.15Å; F131-L165 HydrophobicContact CG-CB 4.28Å; F131-K166 CarbonylContact C-O 3.49Å; F131-K166 WeakPolarHBondContact CA-O 3.41Å; F131-L167 HydrophobicContact CD1-CG 4.11Å; F131-L167 HydrophobicContact CE1-CD1 4.19Å; F131-L167 HydrophobicContact CE1-CD2 4.43Å; F131-L167 HydrophobicContact CE1-CG 3.75Å
132	K	51.6	Low	46.5	Very low	128 Å²	128	80.6 Å²	80.6	56%	0.557	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.2	160.4	-178.6	175.4	179.8	179.6	0	107.5	V134 K166 K168	K132-V134 PolarHBondContact O-N 2.89Å; K132-K166 PolarHBondContact N-O 2.77Å; K132-K166 PolarHBondContact O-N 2.97Å; K132-K168 HydrophobicContact CB-CG 4.04Å
133	Q	47.9	Very low	47.4	Very low	46 Å²	46	79.5 Å²	79.5	22%	0.215	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.8	169.4	-161.2	170.1	1.3	0	0	109.9	L127 I163 L165	L127-Q133 HydrophobicContact CD2-CB 3.74Å; L127-Q133 HydrophobicContact CD2-CG 4.42Å; Q133-I163 HydrophobicContact CG-CG2 3.37Å; Q133-L165 HydrophobicContact CG-CD2 4.47Å
134	V	42.3	Very low	48.8	Very low	33 Å²	33	81.5 Å²	81.5	20%	0.2	42%	0.418	C	S	.	.			trans	-118.8	119.1	171.5	-176.5	0	0	0	0	106.3	K132 R136 P164 K166	K132-V134 PolarHBondContact O-N 2.89Å; V134-R136 HydrophobicContact CG1-CG 4.29Å; V134-P164 HydrophobicContact CB-CG 4.32Å; V134-P164 PolarHBondContact N-O 2.66Å; V134-P164 WeakPolarHBondContact O-CD 3.3Å; V134-P164 VanDerWaalsContact O-CG 3.27Å; V134-P164 WeakPolarHBondContact O-CG 3.46Å; V134-K166 HydrophobicContact CG2-CB 3.99Å
135	T	44.5	Very low	49.6	Very low	94 Å²	94	86.5 Å²	86.5	58%	0.577	44%	0.435	S	S	*	.			trans	-87.1	129.4	174.8	-42.2	0	0	0	0	108.2
136	R	44.1	Very low	50.5	Low	109 Å²	109	82.8 Å²	82.8	41%	0.411	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.1	176.2	-66.1	-170.9	-179.1	170.6	-1.5	109.6	V134 Y161 I162 P164	V134-R136 HydrophobicContact CG1-CG 4.29Å; R136-Y161 CarbonylContact O-C 3.59Å; R136-Y161 WeakPolarHBondContact O-CA 3.3Å; R136-I162 PolarHBondContact N-O 3.5Å; R136-I162 PolarHBondContact O-N 3.04Å; R136-P164 HydrophobicContact CG-CG 3.9Å
137	L	49.1	Very low	51.1	Low	62 Å²	62	76.9 Å²	76.9	33%	0.325	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.9	171.5	-165	143	0	0	0	107.6	F111 I139 I159	F111-L137 HydrophobicContact CD1-CD1 4.04Å; F111-L137 HydrophobicContact CD1-CD2 4.46Å; F111-L137 HydrophobicContact CE1-CD1 3.84Å; F111-L137 HydrophobicContact CE1-CD2 3.55Å; F111-L137 HydrophobicContact CE1-CG 4.19Å; F111-L137 HydrophobicContact CZ-CD2 3.98Å; L137-I139 HydrophobicContact CD2-CD1 3.96Å; L137-I139 HydrophobicContact CD2-CG1 3.53Å; L137-I159 HydrophobicContact CD1-CG2 4.2Å; L137-I159 HydrophobicContact CD2-CG2 3.79Å; L137-I159 HydrophobicContact CG-CG2 3.97Å
138	R	45.5	Very low	51	Low	130 Å²	130	80.4 Å²	80.4	49%	0.491	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.8	174.6	-167.1	178.6	-167.7	-174.2	5.4	108	I159 H160 I162	R138-I159 WeakPolarHBondContact O-CA 3.29Å; R138-H160 PolarHBondContact N-O 3.49Å; R138-H160 PolarHBondContact O-N 3.37Å; R138-I162 HydrophobicContact CB-CD1 3.77Å; R138-I162 HydrophobicContact CB-CG1 4.32Å; R138-I162 HydrophobicContact CG-CD1 4.39Å
139	I	53.5	Low	51.3	Low	34 Å²	34	85.9 Å²	85.9	17%	0.174	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120	172.2	-56	-176.8	0	0	0	105.9	L109 F111 L137 I157 I159	L109-I139 HydrophobicContact CD1-CD1 3.79Å; F111-I139 HydrophobicContact CZ-CD1 4.23Å; L137-I139 HydrophobicContact CD2-CD1 3.96Å; L137-I139 HydrophobicContact CD2-CG1 3.53Å; I139-I157 HydrophobicContact CG2-CG2 3.35Å; I139-I159 HydrophobicContact CG1-CG1 4.5Å
140	Q	50	Low	51.1	Low	65 Å²	65	87.2 Å²	87.2	30%	0.304	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.7	177.9	-165.2	157.1	3.6	0	0	108.1	Y142 I157 E158	Q140-Y142 HydrophobicContact CG-CE1 4.21Å; Q140-I157 WeakPolarHBondContact O-CA 3.44Å; Q140-E158 PolarHBondContact N-O 3.48Å; Q140-E158 PolarHBondContact O-N 2.94Å
141	A	50.5	Low	51.6	Low	34 Å²	34	90.6 Å²	90.6	28%	0.281	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	138.4	179.6	0	0	0	0	0	109.7	L73 I157	L73-A141 HydrophobicContact CD1-CB 3.4Å; L73-A141 VanDerWaalsContact CD1-CB 3.4Å; L73-A141 HydrophobicContact CD2-CB 3.48Å; L73-A141 VanDerWaalsContact CD2-CB 3.48Å; L73-A141 HydrophobicContact CG-CB 3.96Å; A141-I157 HydrophobicContact CB-CG1 4.1Å
142	Y	48.4	Very low	52.2	Low	6 Å²	6	90.8 Å²	90.8	2%	0.024	43%	0.425	C	S	.	.			trans	-106.1	120.3	-173.4	-62.6	-73	0	0	0	110.2	Q140 N146 K150 F152 G155 S156 E158	Q140-Y142 HydrophobicContact CG-CE1 4.21Å; Y142-N146 HydrophobicContact CD1-CB 4.09Å; Y142-K150 HydrophobicContact CD1-CG 4.41Å; Y142-K150 HydrophobicContact CE1-CB 4.14Å; Y142-K150 HydrophobicContact CE1-CG 3.78Å; Y142-F152 HydrophobicContact CD2-CB 4.14Å; Y142-F152 AromaticContact CD2-CD2 3.8Å; Y142-F152 HydrophobicContact CD2-CD2 3.8Å; Y142-F152 HydrophobicContact CD2-CG 4.15Å; Y142-F152 AromaticContact CE2-CD2 3.42Å; Y142-F152 HydrophobicContact CE2-CD2 3.42Å; Y142-F152 VanDerWaalsContact CE2-CD2 3.42Å; Y142-F152 AromaticContact CE2-CE2 3.79Å; Y142-F152 HydrophobicContact CE2-CE2 3.79Å; Y142-F152 HydrophobicContact CE2-CG 4.16Å; Y142-F152 HydrophobicContact CG-CD2 4.48Å; Y142-F152 AromaticContact CZ-CD2 3.88Å; Y142-G155 WeakPolarHBondContact O-CA 3.43Å; Y142-G155 PolarHBondContact O-N 2.86Å; Y142-S156 PolarHBondContact N-O 2.72Å; Y142-E158 HydrophobicContact CE2-CB 3.63Å; Y142-E158 WeakPolarHBondContact CE2-OE2 3.2Å; Y142-E158 PolarHBondContact OH-OE2 3.4Å
143	D	52.3	Low	52.5	Low	70 Å²	70	93.7 Å²	93.7	37%	0.374	43%	0.432	S	S	.	.			trans	-80.5	-173	167	67.5	15.6	0	0	0	110.9	L73 H145 N146 A147	L73-D143 HydrophobicContact CD2-CB 4.39Å; D143-H145 VanDerWaalsContact C-N 3.26Å; D143-H145 PolarHBondContact O-N 3.15Å; D143-H145 PolarHBondContact OD1-N 2.6Å; D143-N146 PolarHBondContact OD1-N 2.83Å; D143-N146 PolarHBondContact OD1-ND2 3.29Å; D143-A147 WeakPolarHBondContact O-CB 3.41Å; D143-A147 PolarHBondContact O-N 2.59Å
144	Y	57.6	Low	52.7	Low	165 Å²	165	93.8 Å²	93.8	65%	0.647	44%	0.437	S	S	*	.	H	α-helix	trans	-63.8	-30.8	-177.7	-146.1	-82.9	0	0	0	113.5	L148 P154	Y144-L148 HydrophobicContact CE1-CD1 4.42Å; Y144-P154 HydrophobicContact CD1-CG 4.49Å; Y144-P154 HydrophobicContact CD2-CB 3.6Å; Y144-P154 HydrophobicContact CD2-CG 3.45Å; Y144-P154 VanDerWaalsContact CD2-CG 3.45Å; Y144-P154 HydrophobicContact CE2-CB 4.22Å; Y144-P154 HydrophobicContact CE2-CG 3.74Å; Y144-P154 HydrophobicContact CG-CB 4.17Å; Y144-P154 HydrophobicContact CG-CG 3.88Å
145	H	52.3	Low	53.2	Low	156 Å²	156	93.3 Å²	93.3	72%	0.722	44%	0.438	S	S	*	.	H	α-helix	trans	-80.1	-42.4	-175.9	-71.9	25.7	0	0	0	110.8	D143	D143-H145 VanDerWaalsContact C-N 3.26Å; D143-H145 PolarHBondContact O-N 3.15Å; D143-H145 PolarHBondContact OD1-N 2.6Å
146	N	53	Low	53.4	Low	80 Å²	80	90.4 Å²	90.4	43%	0.428	42%	0.422	S	S	.	.	H	α-helix	trans	-88.2	-18.9	-174	-55.4	-25.9	0	0	0	112.9	Y142 D143 K150	Y142-N146 HydrophobicContact CD1-CB 4.09Å; D143-N146 PolarHBondContact OD1-N 2.83Å; D143-N146 PolarHBondContact OD1-ND2 3.29Å; N146-K150 PolarHBondContact O-N 3.27Å
147	A	54.5	Low	53.8	Low	0 Å²	0	87.7 Å²	87.7	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-68.1	-44.3	-179.9	0	0	0	0	0	112.8	D143 E149 K150 K151 F152 P154	D143-A147 WeakPolarHBondContact O-CB 3.41Å; D143-A147 PolarHBondContact O-N 2.59Å; A147-E149 VanDerWaalsContact C-N 3.34Å; A147-E149 PolarHBondContact O-N 3.48Å; A147-K150 CarbonylContact O-C 3.55Å; A147-K150 PolarHBondContact O-N 3.36Å; A147-K151 PolarHBondContact O-N 2.93Å; A147-K151 VanDerWaalsContact O-N 3.08Å; A147-F152 CarbonylContact C-O 3.34Å; A147-F152 WeakPolarHBondContact CB-O 3.17Å; A147-F152 PolarHBondContact O-N 3.14Å; A147-P154 HydrophobicContact CB-CB 4.36Å; A147-P154 HydrophobicContact CB-CG 4.01Å
148	L	49.2	Very low	53.9	Low	128 Å²	128	87.3 Å²	87.3	67%	0.67	41%	0.412	S	S	*	.	H	α-helix	trans	-61.5	-43.2	-178.3	-89.8	157.2	0	0	0	111.9	Y144 K150 K151	Y144-L148 HydrophobicContact CE1-CD1 4.42Å; L148-K150 VanDerWaalsContact C-N 3.27Å; L148-K150 PolarHBondContact O-N 3.46Å; L148-K151 PolarHBondContact O-N 2.97Å
149	E	62.7	Low	54.2	Low	167 Å²	167	85.5 Å²	85.5	78%	0.78	41%	0.411	S	S	*	.	H	α-helix	trans	-66.6	-30.2	-178.9	-146.9	-178.8	-157.1	0	0	112.4	A147	A147-E149 VanDerWaalsContact C-N 3.34Å; A147-E149 PolarHBondContact O-N 3.48Å
150	K	58.1	Low	53.8	Low	119 Å²	119	86.2 Å²	86.2	52%	0.517	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	7.2	179.2	-65.5	-72.9	-178.2	-177.8	0	113.8	Y142 N146 A147 L148 F152	Y142-K150 HydrophobicContact CD1-CG 4.41Å; Y142-K150 HydrophobicContact CE1-CB 4.14Å; Y142-K150 HydrophobicContact CE1-CG 3.78Å; N146-K150 PolarHBondContact O-N 3.27Å; A147-K150 CarbonylContact O-C 3.55Å; A147-K150 PolarHBondContact O-N 3.36Å; L148-K150 VanDerWaalsContact C-N 3.27Å; L148-K150 PolarHBondContact O-N 3.46Å; K150-F152 HydrophobicContact CB-CD2 3.58Å; K150-F152 HydrophobicContact CB-CE2 4.06Å; K150-F152 WeakPolarHBondContact O-CD2 3.43Å; K150-F152 PolarHBondContact O-N 3.09Å
151	K	71.4	Confident	53.7	Low	201 Å²	201	90.5 Å²	90.5	87%	0.874	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	23.1	-175.4	-55	-177.6	179.2	-178.9	0	114.1	A147 L148	A147-K151 PolarHBondContact O-N 2.93Å; A147-K151 VanDerWaalsContact O-N 3.08Å; L148-K151 PolarHBondContact O-N 2.97Å
152	F	58.2	Low	53.3	Low	79 Å²	79	92.3 Å²	92.3	35%	0.346	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-96	164.4	172.3	-68	-64.4	0	0	0	110.5	Y142 A147 K150 E158	Y142-F152 HydrophobicContact CD2-CB 4.14Å; Y142-F152 AromaticContact CD2-CD2 3.8Å; Y142-F152 HydrophobicContact CD2-CD2 3.8Å; Y142-F152 HydrophobicContact CD2-CG 4.15Å; Y142-F152 AromaticContact CE2-CD2 3.42Å; Y142-F152 HydrophobicContact CE2-CD2 3.42Å; Y142-F152 VanDerWaalsContact CE2-CD2 3.42Å; Y142-F152 AromaticContact CE2-CE2 3.79Å; Y142-F152 HydrophobicContact CE2-CE2 3.79Å; Y142-F152 HydrophobicContact CE2-CG 4.16Å; Y142-F152 HydrophobicContact CG-CD2 4.48Å; Y142-F152 AromaticContact CZ-CD2 3.88Å; A147-F152 CarbonylContact C-O 3.34Å; A147-F152 WeakPolarHBondContact CB-O 3.17Å; A147-F152 PolarHBondContact O-N 3.14Å; K150-F152 HydrophobicContact CB-CD2 3.58Å; K150-F152 HydrophobicContact CB-CE2 4.06Å; K150-F152 WeakPolarHBondContact O-CD2 3.43Å; K150-F152 PolarHBondContact O-N 3.09Å; F152-E158 WeakPolarHBondContact CE2-OE2 3.44Å; F152-E158 VanDerWaalsContact CZ-CD 3.47Å; F152-E158 HydrophobicContact CZ-CG 4.24Å; F152-E158 WeakPolarHBondContact CZ-OE1 3.45Å
153	R	57.1	Low	53.2	Low	189 Å²	189	95.2 Å²	95.2	71%	0.713	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-81	145.4	170.5	-103.3	-176.1	171.2	-179.1	-1.9	110.5	G155 S156	R153-G155 PolarHBondContact O-N 3.22Å; R153-S156 PolarHBondContact N-OG 3.03Å; R153-S156 WeakPolarHBondContact O-CB 3.36Å; R153-S156 PolarHBondContact O-N 3.17Å; R153-S156 PolarHBondContact O-OG 2.84Å
154	P	52.4	Low	52.8	Low	48 Å²	48	93.7 Å²	93.7	31%	0.312	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	132.5	169.5	-25.3	34.6	0	0	0	111.2	Y144 A147	Y144-P154 HydrophobicContact CD1-CG 4.49Å; Y144-P154 HydrophobicContact CD2-CB 3.6Å; Y144-P154 HydrophobicContact CD2-CG 3.45Å; Y144-P154 VanDerWaalsContact CD2-CG 3.45Å; Y144-P154 HydrophobicContact CE2-CB 4.22Å; Y144-P154 HydrophobicContact CE2-CG 3.74Å; Y144-P154 HydrophobicContact CG-CB 4.17Å; Y144-P154 HydrophobicContact CG-CG 3.88Å; A147-P154 HydrophobicContact CB-CB 4.36Å; A147-P154 HydrophobicContact CB-CG 4.01Å
155	G	52.7	Low	52.2	Low	23 Å²	23	90.4 Å²	90.4	24%	0.237	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	1.2	-173.3	0	0	0	0	0	114.7	Y142 R153	Y142-G155 WeakPolarHBondContact O-CA 3.43Å; Y142-G155 PolarHBondContact O-N 2.86Å; R153-G155 PolarHBondContact O-N 3.22Å
156	S	49.4	Very low	52.1	Low	34 Å²	34	88.6 Å²	88.6	24%	0.238	43%	0.425	C	S	.	.			trans	-70.8	142.3	173	-55	0	0	0	0	110.6	Y142 R153	Y142-S156 PolarHBondContact N-O 2.72Å; R153-S156 PolarHBondContact N-OG 3.03Å; R153-S156 WeakPolarHBondContact O-CB 3.36Å; R153-S156 PolarHBondContact O-N 3.17Å; R153-S156 PolarHBondContact O-OG 2.84Å
157	I	52.2	Low	52.3	Low	52 Å²	52	90.3 Å²	90.3	27%	0.267	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.4	166.5	-60.2	165	0	0	0	107.7	F64 F66 I139 Q140 A141 I159	F64-I157 HydrophobicContact CB-CD1 4.01Å; F64-I157 HydrophobicContact CD2-CD1 3.72Å; F64-I157 HydrophobicContact CG-CD1 4.26Å; F66-I157 HydrophobicContact CE2-CD1 3.35Å; F66-I157 HydrophobicContact CE2-CG1 3.64Å; F66-I157 HydrophobicContact CZ-CD1 3.71Å; F66-I157 HydrophobicContact CZ-CG1 4.23Å; I139-I157 HydrophobicContact CG2-CG2 3.35Å; Q140-I157 WeakPolarHBondContact O-CA 3.44Å; A141-I157 HydrophobicContact CB-CG1 4.1Å; I157-I159 HydrophobicContact CG2-CG1 4.08Å
158	E	50.1	Low	52.5	Low	53 Å²	53	95.3 Å²	95.3	25%	0.248	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.2	167	-167.6	178.6	-169.3	0	0	109.3	Q140 Y142 F152 H160	Q140-E158 PolarHBondContact N-O 3.48Å; Q140-E158 PolarHBondContact O-N 2.94Å; Y142-E158 HydrophobicContact CE2-CB 3.63Å; Y142-E158 WeakPolarHBondContact CE2-OE2 3.2Å; Y142-E158 PolarHBondContact OH-OE2 3.4Å; F152-E158 WeakPolarHBondContact CE2-OE2 3.44Å; F152-E158 VanDerWaalsContact CZ-CD 3.47Å; F152-E158 HydrophobicContact CZ-CG 4.24Å; F152-E158 WeakPolarHBondContact CZ-OE1 3.45Å; E158-H160 WeakPolarHBondContact CG-CE1 3.31Å; E158-H160 WeakPolarHBondContact CG-NE2 3.48Å; E158-H160 IonicContact OE1-CE1 3.47Å; E158-H160 PolarHBondContact OE1-CE1 2.87Å; E158-H160 VanDerWaalsContact OE1-CE1 3.26Å; E158-H160 IonicContact OE1-ND1 2.96Å; E158-H160 PolarHBondContact OE1-ND1 3.28Å; E158-H160 IonicContact OE2-CE1 3.49Å; E158-H160 PolarHBondContact OE2-CE1 2.88Å; E158-H160 IonicContact OE2-ND1 3.84Å; E158-H160 IonicContact OE2-NE2 3.26Å; E158-H160 PolarHBondContact OE2-NE2 3.49Å
159	I	53	Low	52.7	Low	92 Å²	92	95.3 Å²	95.3	47%	0.472	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116.8	178.7	-56.8	175.7	0	0	0	106.1	L137 R138 I139 I157	L137-I159 HydrophobicContact CD1-CG2 4.2Å; L137-I159 HydrophobicContact CD2-CG2 3.79Å; L137-I159 HydrophobicContact CG-CG2 3.97Å; R138-I159 WeakPolarHBondContact O-CA 3.29Å; I139-I159 HydrophobicContact CG1-CG1 4.5Å; I157-I159 HydrophobicContact CG2-CG1 4.08Å
160	H	45.6	Very low	52.4	Low	49 Å²	49	93 Å²	93	23%	0.227	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.5	-178	-31	-123.2	0	0	0	108.8	R138 E158	R138-H160 PolarHBondContact N-O 3.49Å; R138-H160 PolarHBondContact O-N 3.37Å; E158-H160 WeakPolarHBondContact CG-CE1 3.31Å; E158-H160 WeakPolarHBondContact CG-NE2 3.48Å; E158-H160 IonicContact OE1-CE1 3.47Å; E158-H160 PolarHBondContact OE1-CE1 2.87Å; E158-H160 VanDerWaalsContact OE1-CE1 3.26Å; E158-H160 IonicContact OE1-ND1 2.96Å; E158-H160 PolarHBondContact OE1-ND1 3.28Å; E158-H160 IonicContact OE2-CE1 3.49Å; E158-H160 PolarHBondContact OE2-CE1 2.88Å; E158-H160 IonicContact OE2-ND1 3.84Å; E158-H160 IonicContact OE2-NE2 3.26Å; E158-H160 PolarHBondContact OE2-NE2 3.49Å
161	Y	46.1	Very low	51.7	Low	155 Å²	155	90.6 Å²	90.6	61%	0.608	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.7	161.2	62.6	-87.2	0	0	0	108.1	A120 R136 I163	A120-Y161 HydrophobicContact CB-CD1 4.36Å; A120-Y161 HydrophobicContact CB-CE1 4.23Å; R136-Y161 CarbonylContact O-C 3.59Å; R136-Y161 WeakPolarHBondContact O-CA 3.3Å; Y161-I163 HydrophobicContact CD2-CD1 4.4Å; Y161-I163 HydrophobicContact CD2-CG1 4.36Å
162	I	43.5	Very low	50.4	Low	73 Å²	73	87.4 Å²	87.4	37%	0.374	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.1	174.2	-45.1	179.1	0	0	0	105.9	R136 R138 P164	R136-I162 PolarHBondContact N-O 3.5Å; R136-I162 PolarHBondContact O-N 3.04Å; R138-I162 HydrophobicContact CB-CD1 3.77Å; R138-I162 HydrophobicContact CB-CG1 4.32Å; R138-I162 HydrophobicContact CG-CD1 4.39Å; I162-P164 WeakPolarHBondContact O-CD 3.41Å
163	I	47	Very low	49.5	Very low	67 Å²	67	98.2 Å²	98.2	34%	0.344	50%	0.502	S	S	.	.			trans	-110.3	81.6	176.2	-59.9	174.3	0	0	0	108.1	Q122 Q133 Y161	Q122-I163 HydrophobicContact CG-CD1 4.36Å; Q133-I163 HydrophobicContact CG-CG2 3.37Å; Y161-I163 HydrophobicContact CD2-CD1 4.4Å; Y161-I163 HydrophobicContact CD2-CG1 4.36Å
164	P	43.7	Very low	49.2	Very low	38 Å²	38	93.7 Å²	93.7	25%	0.247	49%	0.492	C	S	.	.			trans	-70.5	130.2	166.4	24.3	-32.9	0	0	0	111.3	V134 R136 I162	V134-P164 HydrophobicContact CB-CG 4.32Å; V134-P164 PolarHBondContact N-O 2.66Å; V134-P164 WeakPolarHBondContact O-CD 3.3Å; V134-P164 VanDerWaalsContact O-CG 3.27Å; V134-P164 WeakPolarHBondContact O-CG 3.46Å; R136-P164 HydrophobicContact CG-CG 3.9Å; I162-P164 WeakPolarHBondContact O-CD 3.41Å
165	L	44.6	Very low	49	Very low	96 Å²	96	96.1 Å²	96.1	50%	0.503	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	120.5	167.6	-63.1	173.9	0	0	0	108.3	L127 F131 Q133	L127-L165 HydrophobicContact CD1-CD2 4.07Å; L127-L165 HydrophobicContact CD2-CD2 3.36Å; L127-L165 HydrophobicContact CG-CD2 3.77Å; F131-L165 HydrophobicContact CB-CB 4.22Å; F131-L165 HydrophobicContact CB-CD2 4.32Å; F131-L165 HydrophobicContact CD1-CB 4.15Å; F131-L165 HydrophobicContact CG-CB 4.28Å; Q133-L165 HydrophobicContact CG-CD2 4.47Å
166	K	48.9	Very low	48.8	Very low	118 Å²	118	100.1 Å²	100.1	51%	0.513	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.5	175.7	-163.7	-179	-178.3	-174	0	108.7	F131 K132 V134 K168	F131-K166 CarbonylContact C-O 3.49Å; F131-K166 WeakPolarHBondContact CA-O 3.41Å; K132-K166 PolarHBondContact N-O 2.77Å; K132-K166 PolarHBondContact O-N 2.97Å; V134-K166 HydrophobicContact CG2-CB 3.99Å; K166-K168 PolarHBondContact O-N 2.99Å
167	L	57.7	Low	48.8	Very low	116 Å²	116	104 Å²	104	61%	0.607	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	133.1	170	-95.4	139.7	0	0	0	109.9	F130 F131	F130-L167 HydrophobicContact CB-CD2 4.45Å; F130-L167 WeakPolarHBondContact O-CA 3.17Å; F131-L167 HydrophobicContact CD1-CG 4.11Å; F131-L167 HydrophobicContact CE1-CD1 4.19Å; F131-L167 HydrophobicContact CE1-CD2 4.43Å; F131-L167 HydrophobicContact CE1-CG 3.75Å
168	K	58	Low	48.5	Very low	104 Å²	104	107.3 Å²	107.3	45%	0.452	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-63.1	140.5	168.2	-76.6	-177.7	-174	162.2	0	108	P129 F130 K132 K166 T170	P129-K168 WeakPolarHBondContact O-CD 3.35Å; P129-K168 WeakPolarHBondContact O-CE 3.37Å; P129-K168 PolarHBondContact O-NZ 3.48Å; F130-K168 PolarHBondContact O-N 2.65Å; K132-K168 HydrophobicContact CB-CG 4.04Å; K166-K168 PolarHBondContact O-N 2.99Å; K168-T170 PolarHBondContact O-N 2.99Å
169	P	55.4	Low	48.4	Very low	128 Å²	128	110.9 Å²	110.9	83%	0.831	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-59.1	116.9	172.2	-10.5	23.4	0	0	0	107.6	G171	P169-G171 VanDerWaalsContact C-N 3.35Å; P169-G171 PolarHBondContact O-N 2.66Å; P169-G171 VanDerWaalsContact O-N 3.08Å
170	T	54.5	Low	48.1	Very low	118 Å²	118	112.2 Å²	112.2	72%	0.724	58%	0.576	S	S	*	*			trans	-72.4	98.2	165.8	42.7	0	0	0	0	105.9	K168 N172	K168-T170 PolarHBondContact O-N 2.99Å; T170-N172 PolarHBondContact O-N 3.46Å
171	G	45	Very low	48.3	Very low	69 Å²	69	117.1 Å²	117.1	71%	0.711	60%	0.602	S	S	*	*			trans	-61.2	106	168.6	0	0	0	0	0	107.9	P169	P169-G171 VanDerWaalsContact C-N 3.35Å; P169-G171 PolarHBondContact O-N 2.66Å; P169-G171 VanDerWaalsContact O-N 3.08Å
172	N	42.3	Very low	48.5	Very low	134 Å²	134	113.9 Å²	113.9	72%	0.717	60%	0.602	S	S	*	*			trans	-163.3	133.8	156.1	-86.9	-24	0	0	0	106.9	T170	T170-N172 PolarHBondContact O-N 3.46Å
173	Y	41.3	Very low	48.9	Very low	306 Å²	306	117.6 Å²	117.6	100%	1.2	62%	0.623	S	S	*	*			trans	89.2	0	-176.1	-45.5	-66	0	0	0	116

Retrieved 173 of 173 residues in 199.9 ms (Link to these results)

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