X6RJD6_HUMAN Loading...

Prostaglandin-endoperoxide synthase 1

AlphaFold DB , UniProt , Accession X6RJD6, Species HUMAN (Homo sapiens, Human), Gene PTGS1, Length 171 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	53.9	Low	55.2	Low	236 Å²	236	138.3 Å²	138.3	100%	1.163	68%	0.681	S	S	*	*				0	65.8	0	-163.6	166.8	104	0	0	110.4
2	S	55.4	Low	55.7	Low	96 Å²	96	137.9 Å²	137.9	67%	0.671	67%	0.673	S	S	*	*			trans	-172	51.4	-178.1	-163.1	0	0	0	0	115.3
3	R	51.8	Low	55.5	Low	222 Å²	222	135 Å²	135	84%	0.838	66%	0.662	S	S	*	*	S	Bend	trans	-140.7	-31.1	166.1	-70.3	-168.7	175	179.2	-2.4	112.6
4	S	52.2	Low	55.5	Low	84 Å²	84	134.1 Å²	134.1	59%	0.587	66%	0.66	S	S	*	*	H	α-helix	trans	-73.2	-34.8	175.6	-165.5	0	0	0	0	113.9	L6 W8	S4-L6 VanDerWaalsContact C-N 3.35Å; S4-L6 PolarHBondContact O-N 3.03Å; S4-W8 PolarHBondContact O-N 2.93Å; S4-W8 VanDerWaalsContact O-N 3.14Å
5	L	55.5	Low	55.6	Low	134 Å²	134	132.4 Å²	132.4	70%	0.702	65%	0.654	S	S	*	*	H	α-helix	trans	-68.9	-33.2	179.8	-106.5	101	0	0	0	112.6	W8 F9	L5-W8 PolarHBondContact O-N 2.83Å; L5-F9 WeakPolarHBondContact O-CB 3.28Å; L5-F9 PolarHBondContact O-N 3.26Å
6	L	58	Low	55.2	Low	104 Å²	104	130.1 Å²	130.1	55%	0.545	65%	0.645	S	S	.	*	H	α-helix	trans	-73.1	-38.4	-177.4	-129.5	159.5	0	0	0	111.4	S4 F9 L10	S4-L6 VanDerWaalsContact C-N 3.35Å; S4-L6 PolarHBondContact O-N 3.03Å; L6-F9 PolarHBondContact O-N 3.46Å; L6-L10 HydrophobicContact CD2-CD1 4.06Å; L6-L10 HydrophobicContact CD2-CG 4.41Å; L6-L10 WeakPolarHBondContact O-CB 3.48Å; L6-L10 WeakPolarHBondContact O-CG 3.29Å; L6-L10 PolarHBondContact O-N 2.8Å
7	L	57.9	Low	54.6	Low	125 Å²	125	128.4 Å²	128.4	65%	0.654	65%	0.645	S	S	*	*	H	α-helix	trans	-65.6	-41.8	171.3	-89.1	155.7	0	0	0	111.8	L11	L7-L11 WeakPolarHBondContact O-CB 3.46Å; L7-L11 PolarHBondContact O-N 2.96Å
8	W	50.6	Low	54.6	Low	194 Å²	194	127.3 Å²	127.3	74%	0.735	65%	0.649	S	S	*	*	H	α-helix	trans	-66.9	-36.2	174.6	-89	58.6	0	0	0	112.6	S4 L5 F12	S4-W8 PolarHBondContact O-N 2.93Å; S4-W8 VanDerWaalsContact O-N 3.14Å; L5-W8 PolarHBondContact O-N 2.83Å; W8-F12 WeakPolarHBondContact O-CB 3.39Å; W8-F12 PolarHBondContact O-N 2.88Å
9	F	58.4	Low	54.3	Low	129 Å²	129	128.4 Å²	128.4	57%	0.566	66%	0.655	S	S	*	*	H	α-helix	trans	-69.3	-40.6	177.2	-167.5	-97.5	0	0	0	112.1	L5 L6 F12 L13	L5-F9 WeakPolarHBondContact O-CB 3.28Å; L5-F9 PolarHBondContact O-N 3.26Å; L6-F9 PolarHBondContact O-N 3.46Å; F9-F12 PolarHBondContact O-N 2.97Å; F9-L13 HydrophobicContact CD1-CD1 4.09Å; F9-L13 HydrophobicContact CE1-CD1 3.62Å; F9-L13 HydrophobicContact CZ-CD1 4.15Å; F9-L13 WeakPolarHBondContact O-CB 3.42Å; F9-L13 PolarHBondContact O-N 2.83Å
10	L	57	Low	53.8	Low	103 Å²	103	127.6 Å²	127.6	54%	0.539	66%	0.659	S	S	.	*	H	α-helix	trans	-67.9	-38.7	174.7	-74.9	166.5	0	0	0	112.2	L6 F12 L13 L14	L6-L10 HydrophobicContact CD2-CD1 4.06Å; L6-L10 HydrophobicContact CD2-CG 4.41Å; L6-L10 WeakPolarHBondContact O-CB 3.48Å; L6-L10 WeakPolarHBondContact O-CG 3.29Å; L6-L10 PolarHBondContact O-N 2.8Å; L10-F12 VanDerWaalsContact C-N 3.35Å; L10-L13 PolarHBondContact O-N 2.94Å; L10-L14 PolarHBondContact O-N 3.27Å; L10-L14 VanDerWaalsContact O-N 3.12Å
11	L	56.9	Low	53.6	Low	94 Å²	94	127.9 Å²	127.9	49%	0.492	67%	0.666	S	S	.	*	H	α-helix	trans	-66.6	-38	174.6	-159.7	83.6	0	0	0	111.4	L7 L14 L15	L7-L11 WeakPolarHBondContact O-CB 3.46Å; L7-L11 PolarHBondContact O-N 2.96Å; L11-L14 PolarHBondContact O-N 3.1Å; L11-L15 PolarHBondContact O-N 2.86Å
12	F	60.3	Low	53.5	Low	134 Å²	134	124.3 Å²	124.3	59%	0.588	65%	0.651	S	S	*	*	H	α-helix	trans	-66.5	-37	174.6	-173.8	-101	0	0	0	112.2	W8 F9 L10 L14 L15 L16	W8-F12 WeakPolarHBondContact O-CB 3.39Å; W8-F12 PolarHBondContact O-N 2.88Å; F9-F12 PolarHBondContact O-N 2.97Å; L10-F12 VanDerWaalsContact C-N 3.35Å; F12-L14 VanDerWaalsContact C-N 3.29Å; F12-L14 PolarHBondContact O-N 2.84Å; F12-L15 PolarHBondContact O-N 2.96Å; F12-L16 HydrophobicContact CD1-CD1 4.09Å; F12-L16 HydrophobicContact CE1-CD1 3.6Å; F12-L16 HydrophobicContact CE2-CD1 4.32Å; F12-L16 HydrophobicContact CZ-CD1 3.73Å; F12-L16 PolarHBondContact O-N 3.22Å
13	L	53.2	Low	53.2	Low	100 Å²	100	128.3 Å²	128.3	52%	0.524	66%	0.664	S	S	.	*	H	α-helix	trans	-67.8	-29.3	174.5	-128.3	111.2	0	0	0	112.8	F9 L10	F9-L13 HydrophobicContact CD1-CD1 4.09Å; F9-L13 HydrophobicContact CE1-CD1 3.62Å; F9-L13 HydrophobicContact CZ-CD1 4.15Å; F9-L13 WeakPolarHBondContact O-CB 3.42Å; F9-L13 PolarHBondContact O-N 2.83Å; L10-L13 PolarHBondContact O-N 2.94Å
14	L	55.7	Low	53	Low	122 Å²	122	121.1 Å²	121.1	64%	0.639	65%	0.652	S	S	*	*	H	α-helix	trans	-81.5	-18	178.6	-147.7	125	0	0	0	112.7	L10 L11 F12	L10-L14 PolarHBondContact O-N 3.27Å; L10-L14 VanDerWaalsContact O-N 3.12Å; L11-L14 PolarHBondContact O-N 3.1Å; F12-L14 VanDerWaalsContact C-N 3.29Å; F12-L14 PolarHBondContact O-N 2.84Å
15	L	57.5	Low	52.6	Low	109 Å²	109	124.3 Å²	124.3	57%	0.571	66%	0.663	S	S	*	*	H	α-helix	trans	-102	-6.6	-178.8	-106.1	84.2	0	0	0	114.8	L11 F12	L11-L15 PolarHBondContact O-N 2.86Å; F12-L15 PolarHBondContact O-N 2.96Å
16	L	48.8	Very low	52.3	Low	96 Å²	96	124.4 Å²	124.4	50%	0.503	67%	0.671	S	S	.	*	S	Bend	trans	-70.9	128	177.5	-125.3	81	0	0	0	109.9	F12	F12-L16 HydrophobicContact CD1-CD1 4.09Å; F12-L16 HydrophobicContact CE1-CD1 3.6Å; F12-L16 HydrophobicContact CE2-CD1 4.32Å; F12-L16 HydrophobicContact CZ-CD1 3.73Å; F12-L16 PolarHBondContact O-N 3.22Å
17	P	45.2	Very low	52.1	Low	101 Å²	101	123 Å²	123	66%	0.656	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-60	147.5	169.9	26.4	-32.8	0	0	0	109.5	L19	P17-L19 PolarHBondContact O-N 2.7Å
18	P	54.5	Low	51.8	Low	109 Å²	109	120.4 Å²	120.4	71%	0.708	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-57.1	129.4	179	24	-32.1	0	0	0	109.5
19	L	48.1	Very low	51.9	Low	147 Å²	147	117.6 Å²	117.6	77%	0.77	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-49.3	137.8	174	-89.4	141.6	0	0	0	109.8	P17 V21	P17-L19 PolarHBondContact O-N 2.7Å; L19-V21 PolarHBondContact O-N 2.98Å
20	P	44.4	Very low	52.1	Low	113 Å²	113	114.4 Å²	114.4	73%	0.734	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-58.5	127.3	177.4	23.2	-29.9	0	0	0	108.7	L22	P20-L22 PolarHBondContact O-N 3.16Å
21	V	51	Low	52.3	Low	133 Å²	133	114.6 Å²	114.6	81%	0.806	68%	0.684	S	S	*	*			trans	-66.7	95	178.7	-179.9	0	0	0	0	107.6	L19 L23	L19-V21 PolarHBondContact O-N 2.98Å; V21-L23 PolarHBondContact O-N 3.28Å
22	L	50.5	Low	52.6	Low	162 Å²	162	113 Å²	113	85%	0.848	68%	0.684	S	S	*	*			trans	-67.6	126.1	160.6	-76.6	172.3	0	0	0	107.3	P20 A24	P20-L22 PolarHBondContact O-N 3.16Å; L22-A24 PolarHBondContact O-N 2.94Å; L22-A24 VanDerWaalsContact O-N 3.07Å
23	L	49.8	Very low	53.2	Low	179 Å²	179	108.6 Å²	108.6	94%	0.937	68%	0.676	S	S	*	*			trans	-14.2	99.9	175.1	-82.4	156.1	0	0	0	113.4	V21	V21-L23 PolarHBondContact O-N 3.28Å
24	A	48.6	Very low	54.5	Low	72 Å²	72	110.1 Å²	110.1	60%	0.595	68%	0.684	S	S	*	*			trans	-82.2	123.9	177.4	0	0	0	0	0	110.3	L22	L22-A24 PolarHBondContact O-N 2.94Å; L22-A24 VanDerWaalsContact O-N 3.07Å
25	D	43.8	Very low	55.6	Low	151 Å²	151	110 Å²	110	81%	0.807	68%	0.675	S	S	*	*			trans	-55.4	142.1	164.9	-88.4	-35.6	0	0	0	111.5	G27	D25-G27 PolarHBondContact O-N 2.94Å; D25-G27 VanDerWaalsContact O-N 3.09Å
26	P	47.9	Very low	56.6	Low	135 Å²	135	107.4 Å²	107.4	88%	0.877	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	89.9	-179.5	33.8	-31	0	0	0	109.6
27	G	54.8	Low	58.3	Low	74 Å²	74	110.9 Å²	110.9	76%	0.763	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	169.5	-13.9	170.9	0	0	0	0	0	119.3	D25	D25-G27 PolarHBondContact O-N 2.94Å; D25-G27 VanDerWaalsContact O-N 3.09Å
28	A	50.5	Low	60.2	Low	71 Å²	71	109 Å²	109	59%	0.587	66%	0.655	S	S	*	*	S	Bend	trans	-89.6	138.7	177.4	0	0	0	0	0	111.6	T30	A28-T30 HydrophobicContact CB-CG2 4.44Å; A28-T30 PolarHBondContact O-N 3.17Å
29	P	53	Low	61.4	Low	135 Å²	135	109.8 Å²	109.8	88%	0.877	64%	0.644	S	S	*	*			trans	-67.4	90.5	162.9	27.8	-30.4	0	0	0	107.6
30	T	62.4	Low	62.9	Low	62 Å²	62	107.7 Å²	107.7	38%	0.38	63%	0.634	S	S	.	*			trans	-67.8	145.2	-174.1	50.9	0	0	0	0	110.2	A28 A32 G33	A28-T30 HydrophobicContact CB-CG2 4.44Å; A28-T30 PolarHBondContact O-N 3.17Å; T30-A32 PolarHBondContact O-N 3.2Å; T30-G33 PolarHBondContact O-N 3.32Å
31	P	61.3	Low	64.7	Low	108 Å²	108	105.9 Å²	105.9	70%	0.701	62%	0.623	S	S	*	*	H	α-helix	trans	-50.8	-24.4	169.5	-26.7	33.6	0	0	0	113.3	G33 L34 W35	P31-G33 VanDerWaalsContact C-N 3.3Å; P31-G33 PolarHBondContact O-N 2.97Å; P31-L34 PolarHBondContact O-N 2.89Å; P31-W35 WeakPolarHBondContact O-CB 3.33Å; P31-W35 PolarHBondContact O-N 3.09Å
32	A	63.4	Low	66.3	Low	59 Å²	59	105.7 Å²	105.7	49%	0.488	62%	0.617	S	S	.	*	H	α-helix	trans	-59.8	-34.5	172.7	0	0	0	0	0	113.4	T30 T36	T30-A32 PolarHBondContact O-N 3.2Å; A32-T36 VanDerWaalsContact O-CB 3.25Å; A32-T36 WeakPolarHBondContact O-CB 3.49Å; A32-T36 PolarHBondContact O-N 3.46Å; A32-T36 PolarHBondContact O-OG1 2.89Å
33	G	73.6	Confident	67.7	Low	42 Å²	42	106.4 Å²	106.4	43%	0.433	61%	0.609	S	S	.	*	H	α-helix	trans	-68.3	-47.7	176.9	0	0	0	0	0	112.6	T30 P31 W35 T36 W37	T30-G33 PolarHBondContact O-N 3.32Å; P31-G33 VanDerWaalsContact C-N 3.3Å; P31-G33 PolarHBondContact O-N 2.97Å; G33-W35 VanDerWaalsContact C-N 3.35Å; G33-W35 PolarHBondContact O-N 3.3Å; G33-T36 PolarHBondContact O-N 2.96Å; G33-W37 PolarHBondContact O-N 3.4Å
34	L	79.9	Confident	69.4	Low	132 Å²	132	101 Å²	101	69%	0.691	58%	0.584	S	S	*	*	H	α-helix	trans	-61.3	-43.2	175.3	-69.6	174.2	0	0	0	111.5	P31 T36 W37 L38	P31-L34 PolarHBondContact O-N 2.89Å; L34-T36 VanDerWaalsContact C-N 3.32Å; L34-T36 PolarHBondContact O-N 3.33Å; L34-W37 PolarHBondContact O-N 3.4Å; L34-L38 WeakPolarHBondContact O-CB 3.41Å; L34-L38 PolarHBondContact O-N 2.89Å
35	W	77.9	Confident	71.2	Confident	119 Å²	119	100.6 Å²	100.6	45%	0.451	58%	0.577	S	S	.	*	H	α-helix	trans	-66.3	-34.1	176.9	-173.3	-121.7	0	0	0	113	P31 G33 L38 R39	P31-W35 WeakPolarHBondContact O-CB 3.33Å; P31-W35 PolarHBondContact O-N 3.09Å; G33-W35 VanDerWaalsContact C-N 3.35Å; G33-W35 PolarHBondContact O-N 3.3Å; W35-L38 HydrophobicContact CE3-CD2 3.98Å; W35-L38 HydrophobicContact CZ3-CD2 3.82Å; W35-R39 HydrophobicContact CD2-CG 4.44Å; W35-R39 HydrophobicContact CZ2-CG 4.39Å; W35-R39 WeakPolarHBondContact O-CB 3.39Å; W35-R39 VanDerWaalsContact O-CG 3.28Å; W35-R39 WeakPolarHBondContact O-CG 3.27Å; W35-R39 PolarHBondContact O-N 3.37Å; W35-R39 PolarHBondContact O-NE 2.87Å
36	T	79	Confident	73.3	Confident	56 Å²	56	98.3 Å²	98.3	34%	0.344	57%	0.571	S	S	.	*	H	α-helix	trans	-73.2	-41.3	176.8	-59.2	0	0	0	0	111.5	A32 G33 L34 R39 N40	A32-T36 VanDerWaalsContact O-CB 3.25Å; A32-T36 WeakPolarHBondContact O-CB 3.49Å; A32-T36 PolarHBondContact O-N 3.46Å; A32-T36 PolarHBondContact O-OG1 2.89Å; G33-T36 PolarHBondContact O-N 2.96Å; L34-T36 VanDerWaalsContact C-N 3.32Å; L34-T36 PolarHBondContact O-N 3.33Å; T36-R39 PolarHBondContact O-N 2.79Å; T36-R39 PolarHBondContact OG1-NH2 3.3Å; T36-R39 VanDerWaalsContact OG1-NH2 3.13Å; T36-N40 WeakPolarHBondContact O-CB 3.37Å; T36-N40 PolarHBondContact O-N 2.84Å; T36-N40 PolarHBondContact O-ND2 3.18Å
37	W	85.3	Confident	75.1	Confident	168 Å²	168	96.3 Å²	96.3	64%	0.636	56%	0.56	S	S	*	*	H	α-helix	trans	-57.3	-52.2	170.9	170.3	83.7	0	0	0	111.1	G33 L34 R39 N40 S41	G33-W37 PolarHBondContact O-N 3.4Å; L34-W37 PolarHBondContact O-N 3.4Å; W37-R39 VanDerWaalsContact C-N 3.35Å; W37-R39 PolarHBondContact O-N 2.75Å; W37-N40 PolarHBondContact O-N 3.3Å; W37-N40 VanDerWaalsContact O-N 3.11Å; W37-S41 PolarHBondContact O-N 3.21Å; W37-S41 PolarHBondContact O-OG 3.12Å
38	L	83.7	Confident	76.7	Confident	63 Å²	63	98.1 Å²	98.1	33%	0.33	55%	0.547	S	S	.	.	H	α-helix	trans	-59.4	-45.2	-178.7	-178.3	63.7	0	0	0	111.8	L34 W35 N40 S41 L42	L34-L38 WeakPolarHBondContact O-CB 3.41Å; L34-L38 PolarHBondContact O-N 2.89Å; W35-L38 HydrophobicContact CE3-CD2 3.98Å; W35-L38 HydrophobicContact CZ3-CD2 3.82Å; L38-N40 VanDerWaalsContact C-N 3.34Å; L38-N40 PolarHBondContact O-N 3.13Å; L38-S41 PolarHBondContact O-N 2.79Å; L38-L42 HydrophobicContact CD1-CD1 3.77Å; L38-L42 HydrophobicContact CD1-CG 4.21Å; L38-L42 HydrophobicContact CG-CD1 3.98Å; L38-L42 WeakPolarHBondContact O-CB 3.4Å; L38-L42 WeakPolarHBondContact O-CG 3.37Å; L38-L42 PolarHBondContact O-N 3.03Å
39	R	79.9	Confident	78.3	Confident	125 Å²	125	97.3 Å²	97.3	47%	0.472	54%	0.535	S	S	.	.	H	α-helix	trans	-61.3	-41.2	176.2	-79.3	-174.5	-67.4	156.3	-0.8	112.3	W35 T36 W37 R43	W35-R39 HydrophobicContact CD2-CG 4.44Å; W35-R39 HydrophobicContact CZ2-CG 4.39Å; W35-R39 WeakPolarHBondContact O-CB 3.39Å; W35-R39 VanDerWaalsContact O-CG 3.28Å; W35-R39 WeakPolarHBondContact O-CG 3.27Å; W35-R39 PolarHBondContact O-N 3.37Å; W35-R39 PolarHBondContact O-NE 2.87Å; T36-R39 PolarHBondContact O-N 2.79Å; T36-R39 PolarHBondContact OG1-NH2 3.3Å; T36-R39 VanDerWaalsContact OG1-NH2 3.13Å; W37-R39 VanDerWaalsContact C-N 3.35Å; W37-R39 PolarHBondContact O-N 2.75Å; R39-R43 WeakPolarHBondContact O-CB 3.27Å; R39-R43 PolarHBondContact O-N 3.33Å
40	N	80.1	Confident	79.9	Confident	103 Å²	103	96.8 Å²	96.8	55%	0.551	52%	0.52	S	S	*	.	H	α-helix	trans	-70.4	-36.3	178.9	-71.2	-21.1	0	0	0	111.9	T36 W37 L38	T36-N40 WeakPolarHBondContact O-CB 3.37Å; T36-N40 PolarHBondContact O-N 2.84Å; T36-N40 PolarHBondContact O-ND2 3.18Å; W37-N40 PolarHBondContact O-N 3.3Å; W37-N40 VanDerWaalsContact O-N 3.11Å; L38-N40 VanDerWaalsContact C-N 3.34Å; L38-N40 PolarHBondContact O-N 3.13Å
41	S	82.6	Confident	81.2	Confident	74 Å²	74	99 Å²	99	52%	0.517	53%	0.525	S	S	.	.	H	α-helix	trans	-69.8	-34.7	176.6	-64.6	0	0	0	0	113.3	W37 L38	W37-S41 PolarHBondContact O-N 3.21Å; W37-S41 PolarHBondContact O-OG 3.12Å; L38-S41 PolarHBondContact O-N 2.79Å
42	L	84.5	Confident	82.4	Confident	129 Å²	129	98.1 Å²	98.1	68%	0.675	51%	0.514	S	S	*	.	H	α-helix	trans	-88.2	-8.4	178.2	-68.5	173.9	0	0	0	113.7	L38 P44	L38-L42 HydrophobicContact CD1-CD1 3.77Å; L38-L42 HydrophobicContact CD1-CG 4.21Å; L38-L42 HydrophobicContact CG-CD1 3.98Å; L38-L42 WeakPolarHBondContact O-CB 3.4Å; L38-L42 WeakPolarHBondContact O-CG 3.37Å; L38-L42 PolarHBondContact O-N 3.03Å; L42-P44 VanDerWaalsContact O-CD 3.25Å; L42-P44 WeakPolarHBondContact O-CD 3.19Å
43	R	79.4	Confident	83.5	Confident	177 Å²	177	100.8 Å²	100.8	67%	0.668	52%	0.519	S	S	*	.			trans	-69.2	116	-179.3	-175	176.2	-177.4	178.6	0.7	109.5	R39	R39-R43 WeakPolarHBondContact O-CB 3.27Å; R39-R43 PolarHBondContact O-N 3.33Å
44	P	85.6	Confident	84	Confident	66 Å²	66	102.5 Å²	102.5	43%	0.429	52%	0.521	S	S	.	.			trans	-63.5	152.9	176.7	24.9	-32.9	0	0	0	111.3	L42 F48 T49	L42-P44 VanDerWaalsContact O-CD 3.25Å; L42-P44 WeakPolarHBondContact O-CD 3.19Å; P44-F48 HydrophobicContact CB-CD1 3.74Å; P44-T49 HydrophobicContact CB-CG2 3.94Å; P44-T49 HydrophobicContact CG-CG2 3.55Å
45	S	87.5	Confident	84.5	Confident	63 Å²	63	100.9 Å²	100.9	44%	0.441	51%	0.51	S	S	.	.			trans	-64.5	149.3	175.7	72.8	0	0	0	0	111	S47 F48 T49	S45-S47 PolarHBondContact O-N 3.35Å; S45-F48 PolarHBondContact O-N 3.41Å; S45-F48 WeakPolarHBondContact OG-CB 3.37Å; S45-F48 PolarHBondContact OG-N 2.88Å; S45-T49 PolarHBondContact O-N 3.25Å
46	P	85.9	Confident	84.9	Confident	104 Å²	104	96.9 Å²	96.9	68%	0.675	51%	0.506	S	S	*	.	H	α-helix	trans	-52.2	-40.7	176.6	-28.1	35.6	0	0	0	112.8	F48 T49 H50	P46-F48 PolarHBondContact O-N 3.3Å; P46-T49 WeakPolarHBondContact CA-OG1 3.39Å; P46-T49 PolarHBondContact O-N 3.28Å; P46-T49 PolarHBondContact O-OG1 3.39Å; P46-H50 PolarHBondContact O-N 3.09Å
47	S	86.8	Confident	85.3	Confident	93 Å²	93	103.5 Å²	103.5	65%	0.65	52%	0.524	S	S	*	.	H	α-helix	trans	-63	-42	177.4	-47.2	0	0	0	0	112.6	S45 H50 F51	S45-S47 PolarHBondContact O-N 3.35Å; S47-H50 PolarHBondContact O-N 2.9Å; S47-F51 WeakPolarHBondContact O-CB 3.49Å; S47-F51 PolarHBondContact O-N 3.24Å
48	F	87.4	Confident	85.6	Confident	112 Å²	112	104.8 Å²	104.8	49%	0.491	53%	0.529	S	S	.	.	H	α-helix	trans	-67.5	-39.3	176.4	-175.5	-103.7	0	0	0	111.8	P44 S45 P46 H50 F51 L52	P44-F48 HydrophobicContact CB-CD1 3.74Å; S45-F48 PolarHBondContact O-N 3.41Å; S45-F48 WeakPolarHBondContact OG-CB 3.37Å; S45-F48 PolarHBondContact OG-N 2.88Å; P46-F48 PolarHBondContact O-N 3.3Å; F48-H50 VanDerWaalsContact C-N 3.32Å; F48-H50 PolarHBondContact O-N 3.46Å; F48-F51 PolarHBondContact O-N 3.12Å; F48-L52 WeakPolarHBondContact O-CB 3.26Å; F48-L52 PolarHBondContact O-N 3.44Å
49	T	85.1	Confident	85.9	Confident	53 Å²	53	105.9 Å²	105.9	33%	0.325	53%	0.532	S	S	.	.	H	α-helix	trans	-62.2	-40.8	174.4	60.7	0	0	0	0	112	P44 S45 P46 L52 L53	P44-T49 HydrophobicContact CB-CG2 3.94Å; P44-T49 HydrophobicContact CG-CG2 3.55Å; S45-T49 PolarHBondContact O-N 3.25Å; P46-T49 WeakPolarHBondContact CA-OG1 3.39Å; P46-T49 PolarHBondContact O-N 3.28Å; P46-T49 PolarHBondContact O-OG1 3.39Å; T49-L52 PolarHBondContact O-N 2.83Å; T49-L53 WeakPolarHBondContact O-CB 3.4Å; T49-L53 VanDerWaalsContact O-CG 3.23Å; T49-L53 WeakPolarHBondContact O-CG 3.2Å; T49-L53 PolarHBondContact O-N 2.8Å
50	H	85.4	Confident	86.3	Confident	124 Å²	124	102.2 Å²	102.2	57%	0.574	52%	0.518	S	S	*	.	H	α-helix	trans	-65.4	-44.1	176.5	-178.1	62.2	0	0	0	111.8	P46 S47 F48 L52 L53 T54	P46-H50 PolarHBondContact O-N 3.09Å; S47-H50 PolarHBondContact O-N 2.9Å; F48-H50 VanDerWaalsContact C-N 3.32Å; F48-H50 PolarHBondContact O-N 3.46Å; H50-L52 PolarHBondContact O-N 2.97Å; H50-L53 PolarHBondContact O-N 3.11Å; H50-T54 VanDerWaalsContact CE1-CG2 3.45Å; H50-T54 WeakPolarHBondContact CE1-CG2 3.48Å; H50-T54 WeakPolarHBondContact O-CB 3.48Å; H50-T54 WeakPolarHBondContact O-CG2 3.24Å; H50-T54 PolarHBondContact O-N 3.09Å; H50-T54 PolarHBondContact O-OG1 3.17Å
51	F	90.2	Very high	86.9	Confident	109 Å²	109	102.2 Å²	102.2	48%	0.478	52%	0.515	S	S	.	.	H	α-helix	trans	-56.1	-50.2	174.1	178.2	-96.1	0	0	0	111.4	S47 F48 L53 T54 H55	S47-F51 WeakPolarHBondContact O-CB 3.49Å; S47-F51 PolarHBondContact O-N 3.24Å; F48-F51 PolarHBondContact O-N 3.12Å; F51-L53 VanDerWaalsContact C-N 3.33Å; F51-L53 PolarHBondContact O-N 3.16Å; F51-T54 PolarHBondContact O-N 3.18Å; F51-T54 PolarHBondContact O-OG1 3.34Å; F51-H55 AromaticContact CD2-CD2 3.96Å; F51-H55 AromaticContact CD2-CE1 3.3Å; F51-H55 WeakPolarHBondContact CD2-CE1 3.49Å; F51-H55 AromaticContact CD2-CG 3.78Å; F51-H55 AromaticContact CD2-ND1 3.36Å; F51-H55 WeakPolarHBondContact CD2-ND1 3.49Å; F51-H55 AromaticContact CD2-NE2 3.67Å; F51-H55 HydrophobicContact CE2-CB 4.4Å; F51-H55 AromaticContact CE2-CD2 3.4Å; F51-H55 VanDerWaalsContact CE2-CD2 3.4Å; F51-H55 WeakPolarHBondContact CE2-CD2 3.47Å; F51-H55 AromaticContact CE2-CE1 3.54Å; F51-H55 AromaticContact CE2-CG 3.57Å; F51-H55 AromaticContact CE2-ND1 3.63Å; F51-H55 AromaticContact CE2-NE2 3.39Å; F51-H55 WeakPolarHBondContact CE2-NE2 3.42Å; F51-H55 AromaticContact CG-ND1 3.87Å; F51-H55 HydrophobicContact CZ-CB 4.31Å; F51-H55 AromaticContact CZ-CD2 3.93Å; F51-H55 AromaticContact CZ-CG 3.94Å; F51-H55 WeakPolarHBondContact O-CB 3.12Å; F51-H55 PolarHBondContact O-N 3.04Å; F51-H55 PolarHBondContact O-ND1 3.13Å
52	L	87.8	Confident	87.4	Confident	90 Å²	90	104.5 Å²	104.5	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-59.5	-42.9	179.2	-172.7	68.1	0	0	0	112.1	F48 T49 H50 T54 W60	F48-L52 WeakPolarHBondContact O-CB 3.26Å; F48-L52 PolarHBondContact O-N 3.44Å; T49-L52 PolarHBondContact O-N 2.83Å; H50-L52 PolarHBondContact O-N 2.97Å; L52-T54 VanDerWaalsContact C-N 3.33Å; L52-T54 PolarHBondContact O-N 2.83Å; L52-W60 HydrophobicContact CG-CZ2 4.26Å; L52-W60 VanDerWaalsContact O-CZ2 3.25Å; L52-W60 WeakPolarHBondContact O-CZ2 3.47Å; L52-W60 PolarHBondContact O-NE1 2.84Å
53	L	84.9	Confident	87.7	Confident	114 Å²	114	98.6 Å²	98.6	60%	0.597	48%	0.484	S	S	*	.	H	α-helix	trans	-71.9	-21.6	-179.3	-70.5	170.6	0	0	0	114.2	T49 H50 F51 W60	T49-L53 WeakPolarHBondContact O-CB 3.4Å; T49-L53 VanDerWaalsContact O-CG 3.23Å; T49-L53 WeakPolarHBondContact O-CG 3.2Å; T49-L53 PolarHBondContact O-N 2.8Å; H50-L53 PolarHBondContact O-N 3.11Å; F51-L53 VanDerWaalsContact C-N 3.33Å; F51-L53 PolarHBondContact O-N 3.16Å; L53-W60 HydrophobicContact CD2-CH2 3.87Å; L53-W60 HydrophobicContact CD2-CZ2 3.99Å
54	T	86	Confident	88.2	Confident	78 Å²	78	94.5 Å²	94.5	48%	0.479	48%	0.476	S	S	.	.	H	α-helix	trans	-105.6	-18.8	-175.6	51.7	0	0	0	0	113.8	H50 F51 L52	H50-T54 VanDerWaalsContact CE1-CG2 3.45Å; H50-T54 WeakPolarHBondContact CE1-CG2 3.48Å; H50-T54 WeakPolarHBondContact O-CB 3.48Å; H50-T54 WeakPolarHBondContact O-CG2 3.24Å; H50-T54 PolarHBondContact O-N 3.09Å; H50-T54 PolarHBondContact O-OG1 3.17Å; F51-T54 PolarHBondContact O-N 3.18Å; F51-T54 PolarHBondContact O-OG1 3.34Å; L52-T54 VanDerWaalsContact C-N 3.33Å; L52-T54 PolarHBondContact O-N 2.83Å
55	H	88.8	Confident	88.6	Confident	99 Å²	99	95.5 Å²	95.5	46%	0.458	49%	0.49	S	S	.	.	S	Bend	trans	-104.1	155.1	-179	-64.5	68	0	0	0	111.5	F51 W60	F51-H55 AromaticContact CD2-CD2 3.96Å; F51-H55 AromaticContact CD2-CE1 3.3Å; F51-H55 WeakPolarHBondContact CD2-CE1 3.49Å; F51-H55 AromaticContact CD2-CG 3.78Å; F51-H55 AromaticContact CD2-ND1 3.36Å; F51-H55 WeakPolarHBondContact CD2-ND1 3.49Å; F51-H55 AromaticContact CD2-NE2 3.67Å; F51-H55 HydrophobicContact CE2-CB 4.4Å; F51-H55 AromaticContact CE2-CD2 3.4Å; F51-H55 VanDerWaalsContact CE2-CD2 3.4Å; F51-H55 WeakPolarHBondContact CE2-CD2 3.47Å; F51-H55 AromaticContact CE2-CE1 3.54Å; F51-H55 AromaticContact CE2-CG 3.57Å; F51-H55 AromaticContact CE2-ND1 3.63Å; F51-H55 AromaticContact CE2-NE2 3.39Å; F51-H55 WeakPolarHBondContact CE2-NE2 3.42Å; F51-H55 AromaticContact CG-ND1 3.87Å; F51-H55 HydrophobicContact CZ-CB 4.31Å; F51-H55 AromaticContact CZ-CD2 3.93Å; F51-H55 AromaticContact CZ-CG 3.94Å; F51-H55 WeakPolarHBondContact O-CB 3.12Å; F51-H55 PolarHBondContact O-N 3.04Å; F51-H55 PolarHBondContact O-ND1 3.13Å; H55-W60 VanDerWaalsContact O-CD1 3.27Å; H55-W60 PolarHBondContact O-NE1 3.33Å; H55-W60 VanDerWaalsContact O-NE1 3.08Å
56	G	86.4	Confident	88.8	Confident	35 Å²	35	94.6 Å²	94.6	36%	0.361	48%	0.482	S	S	.	.			trans	78.3	53	173.9	0	0	0	0	0	114.5	W58 F59 W60	G56-W58 VanDerWaalsContact C-N 3.29Å; G56-W58 PolarHBondContact O-N 3.36Å; G56-F59 WeakPolarHBondContact O-CB 3.17Å; G56-F59 PolarHBondContact O-N 3.06Å; G56-W60 PolarHBondContact O-N 2.78Å
57	R	87.7	Confident	89.1	Confident	195 Å²	195	97 Å²	97	74%	0.736	48%	0.482	S	S	*	.	H	α-helix	trans	-49	-44.1	-177.7	-175.9	175.9	174.8	160.5	4	114.2	F59 W60 E61	R57-F59 VanDerWaalsContact C-N 3.28Å; R57-F59 PolarHBondContact O-N 3.25Å; R57-W60 PolarHBondContact O-N 2.69Å; R57-W60 VanDerWaalsContact O-N 3.17Å; R57-E61 HydrophobicContact CG-CG 4.31Å; R57-E61 WeakPolarHBondContact CG-OE1 3.31Å; R57-E61 IonicContact CZ-OE1 3.7Å; R57-E61 IonicContact NE-OE1 2.84Å; R57-E61 PolarHBondContact NE-OE1 3.29Å; R57-E61 IonicContact NH2-OE1 3.72Å; R57-E61 WeakPolarHBondContact O-CG 3.34Å; R57-E61 PolarHBondContact O-N 2.86Å
58	W	91.5	Very high	89.2	Confident	194 Å²	194	94.9 Å²	94.9	74%	0.735	46%	0.463	S	S	*	.	H	α-helix	trans	-60.6	-36.9	179.7	72.5	-92.5	0	0	0	112.8	G56 F62	G56-W58 VanDerWaalsContact C-N 3.29Å; G56-W58 PolarHBondContact O-N 3.36Å; W58-F62 PolarHBondContact O-N 2.91Å; W58-F62 VanDerWaalsContact O-N 3.16Å
59	F	90	Very high	89.4	Confident	87 Å²	87	95.9 Å²	95.9	38%	0.382	46%	0.463	S	S	.	.	H	α-helix	trans	-68.5	-43.8	176.8	167.9	-97.7	0	0	0	110.1	G56 R57 F62 V63	G56-F59 WeakPolarHBondContact O-CB 3.17Å; G56-F59 PolarHBondContact O-N 3.06Å; R57-F59 VanDerWaalsContact C-N 3.28Å; R57-F59 PolarHBondContact O-N 3.25Å; F59-F62 WeakPolarHBondContact O-CB 3.49Å; F59-F62 PolarHBondContact O-N 3Å; F59-V63 HydrophobicContact CD1-CG2 4.29Å; F59-V63 HydrophobicContact CD2-CG2 4.45Å; F59-V63 HydrophobicContact CE1-CG2 3.84Å; F59-V63 HydrophobicContact CE2-CG2 4.02Å; F59-V63 HydrophobicContact CZ-CG2 3.69Å; F59-V63 WeakPolarHBondContact O-CG2 3.5Å; F59-V63 PolarHBondContact O-N 3.11Å
60	W	89.8	Confident	89.6	Confident	47 Å²	47	99 Å²	99	18%	0.178	47%	0.474	C	S	.	.	H	α-helix	trans	-67.7	-33.8	176.4	-69.5	114.1	0	0	0	113.2	L52 L53 H55 G56 R57 F62 V63 N64 L72	L52-W60 HydrophobicContact CG-CZ2 4.26Å; L52-W60 VanDerWaalsContact O-CZ2 3.25Å; L52-W60 WeakPolarHBondContact O-CZ2 3.47Å; L52-W60 PolarHBondContact O-NE1 2.84Å; L53-W60 HydrophobicContact CD2-CH2 3.87Å; L53-W60 HydrophobicContact CD2-CZ2 3.99Å; H55-W60 VanDerWaalsContact O-CD1 3.27Å; H55-W60 PolarHBondContact O-NE1 3.33Å; H55-W60 VanDerWaalsContact O-NE1 3.08Å; G56-W60 PolarHBondContact O-N 2.78Å; R57-W60 PolarHBondContact O-N 2.69Å; R57-W60 VanDerWaalsContact O-N 3.17Å; W60-F62 VanDerWaalsContact C-N 3.35Å; W60-V63 HydrophobicContact CE3-CB 4.21Å; W60-V63 HydrophobicContact CE3-CG1 4.11Å; W60-V63 HydrophobicContact CZ3-CG1 4.17Å; W60-V63 PolarHBondContact O-N 3.32Å; W60-N64 WeakPolarHBondContact O-CB 3.41Å; W60-N64 PolarHBondContact O-N 3.11Å; W60-N64 PolarHBondContact O-ND2 3.31Å; W60-N64 VanDerWaalsContact O-ND2 3.11Å; W60-L72 HydrophobicContact CZ3-CD1 4.05Å
61	E	92	Very high	89.8	Confident	104 Å²	104	96.2 Å²	96.2	49%	0.486	46%	0.462	S	S	.	.	H	α-helix	trans	-62.3	-42.8	172.8	-76.5	173.5	-178.3	0	0	111.2	R57 N64 A65	R57-E61 HydrophobicContact CG-CG 4.31Å; R57-E61 WeakPolarHBondContact CG-OE1 3.31Å; R57-E61 IonicContact CZ-OE1 3.7Å; R57-E61 IonicContact NE-OE1 2.84Å; R57-E61 PolarHBondContact NE-OE1 3.29Å; R57-E61 IonicContact NH2-OE1 3.72Å; R57-E61 WeakPolarHBondContact O-CG 3.34Å; R57-E61 PolarHBondContact O-N 2.86Å; E61-N64 PolarHBondContact O-N 3Å; E61-A65 WeakPolarHBondContact O-CB 3.41Å; E61-A65 PolarHBondContact O-N 3.16Å; E61-A65 VanDerWaalsContact O-N 3.11Å
62	F	93.1	Very high	89.7	Confident	122 Å²	122	93.6 Å²	93.6	54%	0.535	45%	0.453	S	S	.	.	H	α-helix	trans	-62.5	-49	171.8	171.2	-97.9	0	0	0	112.4	W58 F59 W60 N64 A65 T66	W58-F62 PolarHBondContact O-N 2.91Å; W58-F62 VanDerWaalsContact O-N 3.16Å; F59-F62 WeakPolarHBondContact O-CB 3.49Å; F59-F62 PolarHBondContact O-N 3Å; W60-F62 VanDerWaalsContact C-N 3.35Å; F62-N64 VanDerWaalsContact C-N 3.3Å; F62-N64 PolarHBondContact O-N 3.21Å; F62-A65 PolarHBondContact O-N 2.92Å; F62-T66 HydrophobicContact CE2-CG2 4.25Å; F62-T66 HydrophobicContact CZ-CG2 4.26Å; F62-T66 WeakPolarHBondContact O-CG2 3.4Å; F62-T66 PolarHBondContact O-N 3.49Å; F62-T66 PolarHBondContact O-OG1 2.86Å
63	V	89.9	Confident	89.7	Confident	4 Å²	4	94 Å²	94	2%	0.024	45%	0.454	C	S	.	.	H	α-helix	trans	-59.9	-41.8	178.7	168.5	0	0	0	0	111.3	F59 W60 A65 T66 I68 R69 L72	F59-V63 HydrophobicContact CD1-CG2 4.29Å; F59-V63 HydrophobicContact CD2-CG2 4.45Å; F59-V63 HydrophobicContact CE1-CG2 3.84Å; F59-V63 HydrophobicContact CE2-CG2 4.02Å; F59-V63 HydrophobicContact CZ-CG2 3.69Å; F59-V63 WeakPolarHBondContact O-CG2 3.5Å; F59-V63 PolarHBondContact O-N 3.11Å; W60-V63 HydrophobicContact CE3-CB 4.21Å; W60-V63 HydrophobicContact CE3-CG1 4.11Å; W60-V63 HydrophobicContact CZ3-CG1 4.17Å; W60-V63 PolarHBondContact O-N 3.32Å; V63-A65 VanDerWaalsContact C-N 3.29Å; V63-A65 PolarHBondContact O-N 3.11Å; V63-T66 PolarHBondContact O-N 2.8Å; V63-T66 PolarHBondContact O-OG1 3.2Å; V63-I68 HydrophobicContact CG1-CB 4.16Å; V63-I68 HydrophobicContact CG1-CG2 3.82Å; V63-R69 PolarHBondContact O-N 3.41Å; V63-L72 HydrophobicContact CG1-CD1 3.79Å
64	N	90.9	Very high	89.7	Confident	91 Å²	91	97 Å²	97	49%	0.487	46%	0.457	S	S	.	.	H	α-helix	trans	-68.4	-27.2	-179.8	-74.8	-27.7	0	0	0	113.3	W60 E61 F62 T66	W60-N64 WeakPolarHBondContact O-CB 3.41Å; W60-N64 PolarHBondContact O-N 3.11Å; W60-N64 PolarHBondContact O-ND2 3.31Å; W60-N64 VanDerWaalsContact O-ND2 3.11Å; E61-N64 PolarHBondContact O-N 3Å; F62-N64 VanDerWaalsContact C-N 3.3Å; F62-N64 PolarHBondContact O-N 3.21Å; N64-T66 VanDerWaalsContact C-N 3.29Å
65	A	92.7	Very high	89.7	Confident	88 Å²	88	97 Å²	97	73%	0.727	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-4.4	176.7	0	0	0	0	0	113.7	E61 F62 V63	E61-A65 WeakPolarHBondContact O-CB 3.41Å; E61-A65 PolarHBondContact O-N 3.16Å; E61-A65 VanDerWaalsContact O-N 3.11Å; F62-A65 PolarHBondContact O-N 2.92Å; V63-A65 VanDerWaalsContact C-N 3.29Å; V63-A65 PolarHBondContact O-N 3.11Å
66	T	93.5	Very high	89.4	Confident	43 Å²	43	96 Å²	96	26%	0.264	45%	0.454	S	S	.	.	S	Bend	trans	-120.8	172.2	-176.5	64.2	0	0	0	0	112.1	F62 V63 N64 I68 R69	F62-T66 HydrophobicContact CE2-CG2 4.25Å; F62-T66 HydrophobicContact CZ-CG2 4.26Å; F62-T66 WeakPolarHBondContact O-CG2 3.4Å; F62-T66 PolarHBondContact O-N 3.49Å; F62-T66 PolarHBondContact O-OG1 2.86Å; V63-T66 PolarHBondContact O-N 2.8Å; V63-T66 PolarHBondContact O-OG1 3.2Å; N64-T66 VanDerWaalsContact C-N 3.29Å; T66-I68 PolarHBondContact O-N 3.36Å; T66-I68 VanDerWaalsContact O-N 3.11Å; T66-R69 PolarHBondContact O-N 3.08Å
67	F	91.9	Very high	89.2	Confident	156 Å²	156	99.7 Å²	99.7	68%	0.684	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.1	175.1	74.8	-87.4	0	0	0	113.5	R69 E70 M71	F67-R69 PolarHBondContact O-N 3.22Å; F67-E70 PolarHBondContact O-N 3.38Å; F67-M71 PolarHBondContact O-N 3.43Å; F67-M71 VanDerWaalsContact O-N 3.15Å
68	I	89.3	Confident	88.8	Confident	47 Å²	47	93.8 Å²	93.8	24%	0.241	45%	0.451	C	S	.	.	H	α-helix	trans	-59.3	-34.2	179	-57.9	175.1	0	0	0	110	V63 T66 E70 M71 L72	V63-I68 HydrophobicContact CG1-CB 4.16Å; V63-I68 HydrophobicContact CG1-CG2 3.82Å; T66-I68 PolarHBondContact O-N 3.36Å; T66-I68 VanDerWaalsContact O-N 3.11Å; I68-E70 VanDerWaalsContact C-N 3.35Å; I68-E70 PolarHBondContact O-N 3.3Å; I68-M71 HydrophobicContact CG2-CE 4.22Å; I68-M71 PolarHBondContact O-N 2.96Å; I68-L72 HydrophobicContact CG2-CD1 3.89Å; I68-L72 HydrophobicContact CG2-CG 4.03Å; I68-L72 WeakPolarHBondContact O-CB 3.39Å; I68-L72 WeakPolarHBondContact O-CG 3.3Å; I68-L72 PolarHBondContact O-N 3.47Å
69	R	90	Very high	88.4	Confident	134 Å²	134	88.4 Å²	88.4	51%	0.506	44%	0.439	S	S	.	.	H	α-helix	trans	-53.1	-50.3	172.2	-179.1	179.8	167.8	-112.9	-0.8	112.2	V63 T66 F67 L72 M73	V63-R69 PolarHBondContact O-N 3.41Å; T66-R69 PolarHBondContact O-N 3.08Å; F67-R69 PolarHBondContact O-N 3.22Å; R69-L72 PolarHBondContact O-N 3.05Å; R69-M73 WeakPolarHBondContact O-CB 3.4Å; R69-M73 VanDerWaalsContact O-CG 3.26Å; R69-M73 WeakPolarHBondContact O-CG 3.4Å; R69-M73 PolarHBondContact O-N 3.02Å
70	E	89.9	Confident	87.7	Confident	118 Å²	118	92.6 Å²	92.6	55%	0.551	45%	0.452	S	S	*	.	H	α-helix	trans	-67.4	-39.8	-178.6	-64	-175.4	-176.2	0	0	111.6	F67 I68 M73 R74	F67-E70 PolarHBondContact O-N 3.38Å; I68-E70 VanDerWaalsContact C-N 3.35Å; I68-E70 PolarHBondContact O-N 3.3Å; E70-M73 PolarHBondContact O-N 2.91Å; E70-R74 WeakPolarHBondContact O-CB 3.45Å; E70-R74 VanDerWaalsContact O-CG 3.31Å; E70-R74 WeakPolarHBondContact O-CG 3.45Å; E70-R74 PolarHBondContact O-N 3.47Å
71	M	90.3	Very high	87	Confident	65 Å²	65	93.2 Å²	93.2	32%	0.32	46%	0.464	S	S	.	.	H	α-helix	trans	-60.9	-48.4	175.7	-174.2	-164.7	74.2	0	0	111.4	F67 I68 R74 L75	F67-M71 PolarHBondContact O-N 3.43Å; F67-M71 VanDerWaalsContact O-N 3.15Å; I68-M71 HydrophobicContact CG2-CE 4.22Å; I68-M71 PolarHBondContact O-N 2.96Å; M71-R74 PolarHBondContact O-N 2.94Å; M71-L75 PolarHBondContact O-N 3.34Å
72	L	87	Confident	86.3	Confident	55 Å²	55	94 Å²	94	29%	0.288	47%	0.472	S	S	.	.	H	α-helix	trans	-65.3	-41.8	178.2	-70.2	177.9	0	0	0	111.7	W60 V63 I68 R69 R74 L75 V76	W60-L72 HydrophobicContact CZ3-CD1 4.05Å; V63-L72 HydrophobicContact CG1-CD1 3.79Å; I68-L72 HydrophobicContact CG2-CD1 3.89Å; I68-L72 HydrophobicContact CG2-CG 4.03Å; I68-L72 WeakPolarHBondContact O-CB 3.39Å; I68-L72 WeakPolarHBondContact O-CG 3.3Å; I68-L72 PolarHBondContact O-N 3.47Å; R69-L72 PolarHBondContact O-N 3.05Å; L72-R74 PolarHBondContact O-N 2.95Å; L72-L75 WeakPolarHBondContact O-CB 3.34Å; L72-L75 PolarHBondContact O-N 3.45Å; L72-V76 VanDerWaalsContact O-CG2 3.31Å; L72-V76 WeakPolarHBondContact O-CG2 3.13Å; L72-V76 PolarHBondContact O-N 3.36Å
73	M	87.6	Confident	85.5	Confident	99 Å²	99	93.8 Å²	93.8	49%	0.488	48%	0.476	S	S	.	.	H	α-helix	trans	-62.5	-43.4	176.4	-75.3	-58.6	-56.3	0	0	112	R69 E70 L75 V76 L77	R69-M73 WeakPolarHBondContact O-CB 3.4Å; R69-M73 VanDerWaalsContact O-CG 3.26Å; R69-M73 WeakPolarHBondContact O-CG 3.4Å; R69-M73 PolarHBondContact O-N 3.02Å; E70-M73 PolarHBondContact O-N 2.91Å; M73-L75 VanDerWaalsContact C-N 3.33Å; M73-L75 PolarHBondContact O-N 2.96Å; M73-V76 PolarHBondContact O-N 3.01Å; M73-L77 WeakPolarHBondContact O-CB 3.07Å; M73-L77 VanDerWaalsContact O-CG 3.26Å; M73-L77 WeakPolarHBondContact O-CG 3.43Å; M73-L77 PolarHBondContact O-N 3.34Å
74	R	86.6	Confident	84.4	Confident	175 Å²	175	98.4 Å²	98.4	66%	0.66	50%	0.499	S	S	*	.	H	α-helix	trans	-60.7	-43	174.5	-74.2	175.5	-172.9	-103.9	3.1	111.5	E70 M71 L72 L77 T78	E70-R74 WeakPolarHBondContact O-CB 3.45Å; E70-R74 VanDerWaalsContact O-CG 3.31Å; E70-R74 WeakPolarHBondContact O-CG 3.45Å; E70-R74 PolarHBondContact O-N 3.47Å; M71-R74 PolarHBondContact O-N 2.94Å; L72-R74 PolarHBondContact O-N 2.95Å; R74-L77 PolarHBondContact O-N 3.23Å; R74-T78 WeakPolarHBondContact O-CG2 3.47Å; R74-T78 PolarHBondContact O-N 3.47Å; R74-T78 PolarHBondContact O-OG1 3.41Å; R74-T78 VanDerWaalsContact O-OG1 3.1Å
75	L	84.8	Confident	83.3	Confident	79 Å²	79	97.2 Å²	97.2	41%	0.414	50%	0.496	S	S	.	.	H	α-helix	trans	-61.5	-45.9	176.1	-177.5	71.5	0	0	0	112	M71 L72 M73 L77 T78 V79	M71-L75 PolarHBondContact O-N 3.34Å; L72-L75 WeakPolarHBondContact O-CB 3.34Å; L72-L75 PolarHBondContact O-N 3.45Å; M73-L75 VanDerWaalsContact C-N 3.33Å; M73-L75 PolarHBondContact O-N 2.96Å; L75-L77 VanDerWaalsContact C-N 3.34Å; L75-L77 PolarHBondContact O-N 3.1Å; L75-T78 PolarHBondContact O-N 3.23Å; L75-T78 PolarHBondContact O-OG1 3.05Å; L75-T78 VanDerWaalsContact O-OG1 3.06Å; L75-V79 HydrophobicContact CD1-CG2 4.18Å; L75-V79 HydrophobicContact CG-CG2 4.41Å; L75-V79 WeakPolarHBondContact O-CB 3.2Å; L75-V79 VanDerWaalsContact O-CG2 3.26Å; L75-V79 WeakPolarHBondContact O-CG2 3.23Å; L75-V79 PolarHBondContact O-N 3.45Å
76	V	83.4	Confident	82	Confident	78 Å²	78	98.3 Å²	98.3	47%	0.473	50%	0.499	S	S	.	.	H	α-helix	trans	-61.2	-45.7	178.4	168.9	0	0	0	0	110.6	L72 M73 R80	L72-V76 VanDerWaalsContact O-CG2 3.31Å; L72-V76 WeakPolarHBondContact O-CG2 3.13Å; L72-V76 PolarHBondContact O-N 3.36Å; M73-V76 PolarHBondContact O-N 3.01Å; V76-R80 HydrophobicContact CG1-CG 4.4Å; V76-R80 VanDerWaalsContact O-CB 3.3Å; V76-R80 WeakPolarHBondContact O-CB 3.33Å; V76-R80 WeakPolarHBondContact O-CG 3.34Å; V76-R80 PolarHBondContact O-N 3.35Å
77	L	80.7	Confident	81	Confident	112 Å²	112	101.5 Å²	101.5	59%	0.586	52%	0.52	S	S	*	.	H	α-helix	trans	-62.6	-46.2	179.8	-71.1	172.4	0	0	0	111.8	M73 R74 L75 R80 S81	M73-L77 WeakPolarHBondContact O-CB 3.07Å; M73-L77 VanDerWaalsContact O-CG 3.26Å; M73-L77 WeakPolarHBondContact O-CG 3.43Å; M73-L77 PolarHBondContact O-N 3.34Å; R74-L77 PolarHBondContact O-N 3.23Å; L75-L77 VanDerWaalsContact C-N 3.34Å; L75-L77 PolarHBondContact O-N 3.1Å; L77-R80 PolarHBondContact O-N 3.5Å; L77-S81 VanDerWaalsContact O-CB 3.29Å; L77-S81 WeakPolarHBondContact O-CB 3.34Å; L77-S81 PolarHBondContact O-N 3.48Å; L77-S81 PolarHBondContact O-OG 3.02Å; L77-S81 VanDerWaalsContact O-OG 3.14Å
78	T	80.8	Confident	79.8	Confident	72 Å²	72	99.2 Å²	99.2	44%	0.442	52%	0.521	S	S	.	.	H	α-helix	trans	-68.7	-42.5	-178.9	54.4	0	0	0	0	112.7	R74 L75 R80 S81 N82	R74-T78 WeakPolarHBondContact O-CG2 3.47Å; R74-T78 PolarHBondContact O-N 3.47Å; R74-T78 PolarHBondContact O-OG1 3.41Å; R74-T78 VanDerWaalsContact O-OG1 3.1Å; L75-T78 PolarHBondContact O-N 3.23Å; L75-T78 PolarHBondContact O-OG1 3.05Å; L75-T78 VanDerWaalsContact O-OG1 3.06Å; T78-R80 VanDerWaalsContact C-N 3.3Å; T78-R80 PolarHBondContact O-N 2.9Å; T78-S81 PolarHBondContact O-N 3.38Å; T78-S81 PolarHBondContact O-OG 3.28Å; T78-S81 VanDerWaalsContact O-OG 3.11Å; T78-N82 WeakPolarHBondContact O-CB 3.43Å; T78-N82 PolarHBondContact O-N 3.11Å; T78-N82 VanDerWaalsContact O-N 3.15Å; T78-N82 PolarHBondContact O-ND2 3.42Å; T78-N82 VanDerWaalsContact O-ND2 3.08Å
79	V	81.6	Confident	78.4	Confident	80 Å²	80	101.2 Å²	101.2	49%	0.485	54%	0.535	S	S	.	.	H	α-helix	trans	-64.2	-38.6	178.2	172	0	0	0	0	110.9	L75	L75-V79 HydrophobicContact CD1-CG2 4.18Å; L75-V79 HydrophobicContact CG-CG2 4.41Å; L75-V79 WeakPolarHBondContact O-CB 3.2Å; L75-V79 VanDerWaalsContact O-CG2 3.26Å; L75-V79 WeakPolarHBondContact O-CG2 3.23Å; L75-V79 PolarHBondContact O-N 3.45Å
80	R	75.6	Confident	76.6	Confident	175 Å²	175	104.4 Å²	104.4	66%	0.66	55%	0.549	S	S	*	.	H	α-helix	trans	-75.7	-40	179	-69.4	-71.8	-174.3	168.5	2.2	112.5	V76 L77 T78 N82 L83	V76-R80 HydrophobicContact CG1-CG 4.4Å; V76-R80 VanDerWaalsContact O-CB 3.3Å; V76-R80 WeakPolarHBondContact O-CB 3.33Å; V76-R80 WeakPolarHBondContact O-CG 3.34Å; V76-R80 PolarHBondContact O-N 3.35Å; L77-R80 PolarHBondContact O-N 3.5Å; T78-R80 VanDerWaalsContact C-N 3.3Å; T78-R80 PolarHBondContact O-N 2.9Å; R80-N82 VanDerWaalsContact C-N 3.32Å; R80-N82 PolarHBondContact O-N 2.86Å; R80-L83 WeakPolarHBondContact O-CB 3.35Å; R80-L83 PolarHBondContact O-N 3.26Å
81	S	75.6	Confident	74.7	Confident	61 Å²	61	106 Å²	106	43%	0.427	56%	0.561	S	S	.	*	H	α-helix	trans	-65.6	-36.1	179.9	66.2	0	0	0	0	112.2	L77 T78 L83 I84	L77-S81 VanDerWaalsContact O-CB 3.29Å; L77-S81 WeakPolarHBondContact O-CB 3.34Å; L77-S81 PolarHBondContact O-N 3.48Å; L77-S81 PolarHBondContact O-OG 3.02Å; L77-S81 VanDerWaalsContact O-OG 3.14Å; T78-S81 PolarHBondContact O-N 3.38Å; T78-S81 PolarHBondContact O-OG 3.28Å; T78-S81 VanDerWaalsContact O-OG 3.11Å; S81-L83 PolarHBondContact O-N 3.28Å; S81-L83 VanDerWaalsContact O-N 3.17Å; S81-I84 PolarHBondContact O-N 2.86Å
82	N	77.1	Confident	72.6	Confident	120 Å²	120	107 Å²	107	64%	0.642	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-13.2	179.1	-71.6	-23	0	0	0	114	T78 R80 I84	T78-N82 WeakPolarHBondContact O-CB 3.43Å; T78-N82 PolarHBondContact O-N 3.11Å; T78-N82 VanDerWaalsContact O-N 3.15Å; T78-N82 PolarHBondContact O-ND2 3.42Å; T78-N82 VanDerWaalsContact O-ND2 3.08Å; R80-N82 VanDerWaalsContact C-N 3.32Å; R80-N82 PolarHBondContact O-N 2.86Å; N82-I84 VanDerWaalsContact C-N 3.32Å
83	L	75.7	Confident	70.9	Confident	118 Å²	118	108.2 Å²	108.2	62%	0.618	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-18.3	172.7	-63.4	174	0	0	0	112.3	R80 S81	R80-L83 WeakPolarHBondContact O-CB 3.35Å; R80-L83 PolarHBondContact O-N 3.26Å; S81-L83 PolarHBondContact O-N 3.28Å; S81-L83 VanDerWaalsContact O-N 3.17Å
84	I	67.1	Low	69.3	Low	101 Å²	101	108 Å²	108	52%	0.518	59%	0.59	S	S	.	*	S	Bend	trans	-97.9	117.6	179.7	-57.1	176.1	0	0	0	107.9	S81 N82 S86	S81-I84 PolarHBondContact O-N 2.86Å; N82-I84 VanDerWaalsContact C-N 3.32Å; I84-S86 PolarHBondContact O-N 3.25Å
85	P	67.3	Low	67.6	Low	66 Å²	66	107.7 Å²	107.7	43%	0.429	60%	0.602	S	S	.	*			trans	-64.5	126.5	178.6	26.1	-32	0	0	0	110.1	P87 T89	P85-P87 CarbonylContact C-O 3.45Å; P85-P87 CarbonylContact O-C 3.12Å; P85-T89 HydrophobicContact CB-CG2 4.01Å; P85-T89 HydrophobicContact CG-CG2 4.5Å; P85-T89 VanDerWaalsContact CG-OG1 3.25Å; P85-T89 WeakPolarHBondContact CG-OG1 3.17Å
86	S	65.9	Low	66.1	Low	111 Å²	111	107.4 Å²	107.4	78%	0.776	60%	0.596	S	S	*	*	S	Bend	trans	-127.4	113.4	174.3	-63.8	0	0	0	0	107.9	I84	I84-S86 PolarHBondContact O-N 3.25Å
87	P	73.9	Confident	65	Low	110 Å²	110	112.3 Å²	112.3	71%	0.714	62%	0.617	S	S	*	*	S	Bend	cis	-70.2	156.1	7.6	29.3	-35	0	0	0	113.9	P85 T89	P85-P87 CarbonylContact C-O 3.45Å; P85-P87 CarbonylContact O-C 3.12Å; P87-T89 PolarHBondContact O-N 3.5Å
88	P	65.4	Low	64.5	Low	107 Å²	107	109.4 Å²	109.4	70%	0.695	61%	0.607	S	S	*	*			trans	-61.1	126.1	-175.8	24.4	-33.5	0	0	0	111.2
89	T	60.3	Low	63.9	Low	89 Å²	89	115.4 Å²	115.4	55%	0.546	62%	0.621	S	S	.	*			trans	-93.9	-29.8	-178.9	50.4	0	0	0	0	113.1	P85 P87	P85-T89 HydrophobicContact CB-CG2 4.01Å; P85-T89 HydrophobicContact CG-CG2 4.5Å; P85-T89 VanDerWaalsContact CG-OG1 3.25Å; P85-T89 WeakPolarHBondContact CG-OG1 3.17Å; P87-T89 PolarHBondContact O-N 3.5Å
90	Y	53	Low	63.2	Low	201 Å²	201	118 Å²	118	79%	0.788	63%	0.628	S	S	*	*	S	Bend	trans	-144	145.9	179.6	-59.5	-72.9	0	0	0	110
91	N	48.8	Very low	62.7	Low	151 Å²	151	112.4 Å²	112.4	81%	0.807	62%	0.616	S	S	*	*			trans	-91.9	104.5	176.9	-64.5	-26.1	0	0	0	108.7
92	S	45.8	Very low	62.4	Low	86 Å²	86	112.7 Å²	112.7	60%	0.601	61%	0.609	S	S	*	*			trans	-128.8	145.2	175	58.5	0	0	0	0	112.7	H94	S92-H94 PolarHBondContact O-N 3.46Å
93	A	51.5	Low	62	Low	82 Å²	82	108.5 Å²	108.5	68%	0.678	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-60.5	129.2	-178.9	0	0	0	0	0	111.1	F106	A93-F106 HydrophobicContact CB-CE1 4.15Å; A93-F106 HydrophobicContact CB-CZ 4.35Å
94	H	54.9	Low	61.8	Low	94 Å²	94	103.2 Å²	103.2	44%	0.435	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-101.2	148.2	175.2	-69.5	-57.1	0	0	0	109.9	S92 Y96 F106	S92-H94 PolarHBondContact O-N 3.46Å; H94-Y96 HydrophobicContact CB-CE2 3.79Å; H94-Y96 VanDerWaalsContact O-CD2 3.23Å; H94-Y96 WeakPolarHBondContact O-CD2 3.38Å; H94-Y96 WeakPolarHBondContact O-CE2 3.33Å; H94-F106 HydrophobicContact CB-CE2 4.37Å
95	D	50.2	Low	61.9	Low	169 Å²	169	100.6 Å²	100.6	90%	0.904	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-87.3	134.1	174.2	-62.8	-37.7	0	0	0	110.1
96	Y	52.8	Low	62	Low	72 Å²	72	99.8 Å²	99.8	28%	0.282	54%	0.536	S	S	.	.			trans	-116	148.9	-178.2	-67.5	-101.2	0	0	0	111.1	H94 S101 F102 F105 F106	H94-Y96 HydrophobicContact CB-CE2 3.79Å; H94-Y96 VanDerWaalsContact O-CD2 3.23Å; H94-Y96 WeakPolarHBondContact O-CD2 3.38Å; H94-Y96 WeakPolarHBondContact O-CE2 3.33Å; Y96-S101 WeakPolarHBondContact CD1-O 3.31Å; Y96-F102 HydrophobicContact CD2-CB 4.37Å; Y96-F102 AromaticContact CD2-CD2 3.63Å; Y96-F102 HydrophobicContact CD2-CD2 3.63Å; Y96-F102 HydrophobicContact CD2-CE2 4.46Å; Y96-F102 HydrophobicContact CD2-CG 4.47Å; Y96-F102 HydrophobicContact CE2-CD2 4.3Å; Y96-F102 HydrophobicContact CG-CB 4.2Å; Y96-F102 HydrophobicContact CG-CD2 4.27Å; Y96-F105 HydrophobicContact CE1-CB 4.1Å; Y96-F105 AromaticContact CZ-CG 3.98Å; Y96-F105 WeakPolarHBondContact OH-CB 3.25Å; Y96-F105 WeakPolarHBondContact OH-CD1 3.44Å; Y96-F105 WeakPolarHBondContact OH-CG 3.23Å; Y96-F106 HydrophobicContact CD2-CD2 4.08Å; Y96-F106 HydrophobicContact CD2-CE2 4.23Å; Y96-F106 AromaticContact CE2-CD2 3.29Å; Y96-F106 HydrophobicContact CE2-CD2 3.29Å; Y96-F106 AromaticContact CE2-CE2 3.16Å; Y96-F106 HydrophobicContact CE2-CE2 3.16Å; Y96-F106 HydrophobicContact CE2-CZ 4.36Å; Y96-F106 AromaticContact CZ-CD2 3.8Å; Y96-F106 AromaticContact CZ-CE2 3.64Å; Y96-F106 WeakPolarHBondContact OH-CE2 3.42Å
97	I	61.3	Low	62.3	Low	181 Å²	181	96.9 Å²	96.9	93%	0.928	51%	0.51	S	S	*	.	S	Bend	trans	-74.7	-27.4	-175.3	-60	169.3	0	0	0	111.9
98	S	70.3	Confident	62.4	Low	52 Å²	52	96 Å²	96	36%	0.364	50%	0.503	S	S	.	.	S	Bend	trans	-138.9	155	-180	70.2	0	0	0	0	112.4	E100 S101 F102	S98-E100 VanDerWaalsContact C-N 3.29Å; S98-E100 PolarHBondContact O-N 2.98Å; S98-S101 PolarHBondContact O-N 3.04Å; S98-S101 WeakPolarHBondContact OG-CB 3.36Å; S98-S101 PolarHBondContact OG-N 3.32Å; S98-S101 PolarHBondContact OG-OG 3.48Å; S98-F102 PolarHBondContact O-N 2.94Å
99	W	67.3	Low	62.9	Low	198 Å²	198	91.1 Å²	91.1	75%	0.75	47%	0.471	S	S	*	.	H	α-helix	trans	-59.8	-38.3	176.5	-175.8	-110.7	0	0	0	112.6	F102 S103	W99-F102 HydrophobicContact CE3-CD1 4.07Å; W99-F102 HydrophobicContact CH2-CD1 4.33Å; W99-F102 HydrophobicContact CH2-CE1 4.42Å; W99-F102 AromaticContact CZ3-CD1 3.79Å; W99-F102 HydrophobicContact CZ3-CD1 3.79Å; W99-F102 HydrophobicContact CZ3-CE1 4.08Å; W99-F102 WeakPolarHBondContact O-CB 3.49Å; W99-F102 PolarHBondContact O-N 3.41Å; W99-S103 WeakPolarHBondContact O-CB 3.25Å; W99-S103 PolarHBondContact O-N 3.05Å; W99-S103 PolarHBondContact O-OG 3.15Å
100	E	68.1	Low	63.9	Low	135 Å²	135	90.4 Å²	90.4	63%	0.631	48%	0.482	S	S	*	.	H	α-helix	trans	-61.6	-47.6	175.7	-66.8	-175.1	160.9	0	0	111.6	S98 F102 S103 N104	S98-E100 VanDerWaalsContact C-N 3.29Å; S98-E100 PolarHBondContact O-N 2.98Å; E100-F102 VanDerWaalsContact C-N 3.29Å; E100-F102 PolarHBondContact O-N 3.29Å; E100-S103 PolarHBondContact O-N 2.68Å; E100-S103 PolarHBondContact O-OG 2.93Å; E100-N104 PolarHBondContact O-N 3.23Å; E100-N104 VanDerWaalsContact O-N 3.09Å
101	S	64.6	Low	65.4	Low	57 Å²	57	90.4 Å²	90.4	40%	0.399	49%	0.486	S	S	.	.	H	α-helix	trans	-62.1	-38.6	177	-58	0	0	0	0	111.9	Y96 S98 N104	Y96-S101 WeakPolarHBondContact CD1-O 3.31Å; S98-S101 PolarHBondContact O-N 3.04Å; S98-S101 WeakPolarHBondContact OG-CB 3.36Å; S98-S101 PolarHBondContact OG-N 3.32Å; S98-S101 PolarHBondContact OG-OG 3.48Å; S101-N104 WeakPolarHBondContact O-CB 3.28Å
102	F	68.7	Low	66.9	Low	67 Å²	67	88.4 Å²	88.4	29%	0.294	47%	0.473	S	S	.	.	H	α-helix	trans	-63.7	-50.2	175.3	-177.4	-100.6	0	0	0	111.5	Y96 S98 W99 E100 N104 F105 F106	Y96-F102 HydrophobicContact CD2-CB 4.37Å; Y96-F102 AromaticContact CD2-CD2 3.63Å; Y96-F102 HydrophobicContact CD2-CD2 3.63Å; Y96-F102 HydrophobicContact CD2-CE2 4.46Å; Y96-F102 HydrophobicContact CD2-CG 4.47Å; Y96-F102 HydrophobicContact CE2-CD2 4.3Å; Y96-F102 HydrophobicContact CG-CB 4.2Å; Y96-F102 HydrophobicContact CG-CD2 4.27Å; S98-F102 PolarHBondContact O-N 2.94Å; W99-F102 HydrophobicContact CE3-CD1 4.07Å; W99-F102 HydrophobicContact CH2-CD1 4.33Å; W99-F102 HydrophobicContact CH2-CE1 4.42Å; W99-F102 AromaticContact CZ3-CD1 3.79Å; W99-F102 HydrophobicContact CZ3-CD1 3.79Å; W99-F102 HydrophobicContact CZ3-CE1 4.08Å; W99-F102 WeakPolarHBondContact O-CB 3.49Å; W99-F102 PolarHBondContact O-N 3.41Å; E100-F102 VanDerWaalsContact C-N 3.29Å; E100-F102 PolarHBondContact O-N 3.29Å; F102-N104 PolarHBondContact O-N 3.44Å; F102-F105 PolarHBondContact O-N 3.48Å; F102-F105 VanDerWaalsContact O-N 3.11Å; F102-F106 HydrophobicContact CD1-CB 4.19Å; F102-F106 HydrophobicContact CD2-CB 4.03Å; F102-F106 HydrophobicContact CD2-CD2 4.01Å; F102-F106 HydrophobicContact CD2-CG 4.12Å; F102-F106 HydrophobicContact CE1-CB 3.79Å; F102-F106 HydrophobicContact CE2-CB 3.61Å; F102-F106 HydrophobicContact CE2-CD1 4.22Å; F102-F106 AromaticContact CE2-CD2 3.83Å; F102-F106 HydrophobicContact CE2-CD2 3.83Å; F102-F106 AromaticContact CE2-CG 3.57Å; F102-F106 HydrophobicContact CE2-CG 3.57Å; F102-F106 HydrophobicContact CG-CB 4.3Å; F102-F106 HydrophobicContact CZ-CB 3.48Å; F102-F106 VanDerWaalsContact CZ-CB 3.48Å; F102-F106 HydrophobicContact CZ-CD1 4.36Å; F102-F106 AromaticContact CZ-CG 3.86Å; F102-F106 HydrophobicContact CZ-CG 3.86Å; F102-F106 WeakPolarHBondContact O-CB 3.41Å; F102-F106 PolarHBondContact O-N 3.2Å
103	S	69	Low	68.6	Low	32 Å²	32	85.3 Å²	85.3	22%	0.224	45%	0.454	C	S	.	.	H	α-helix	trans	-66.7	-21.4	-176.7	73.5	0	0	0	0	114.2	W99 E100 K107	W99-S103 WeakPolarHBondContact O-CB 3.25Å; W99-S103 PolarHBondContact O-N 3.05Å; W99-S103 PolarHBondContact O-OG 3.15Å; E100-S103 PolarHBondContact O-N 2.68Å; E100-S103 PolarHBondContact O-OG 2.93Å; S103-K107 VanDerWaalsContact O-CE 3.31Å; S103-K107 WeakPolarHBondContact O-CE 3.26Å
104	N	72.2	Confident	70.1	Confident	6 Å²	6	87.3 Å²	87.3	3%	0.032	46%	0.46	C	S	.	.	H	α-helix	trans	-62.4	-47.6	171.4	-175.6	-74	0	0	0	111	E100 S101 F102 G123 D125 L126 H128	E100-N104 PolarHBondContact O-N 3.23Å; E100-N104 VanDerWaalsContact O-N 3.09Å; S101-N104 WeakPolarHBondContact O-CB 3.28Å; F102-N104 PolarHBondContact O-N 3.44Å; N104-G123 PolarHBondContact OD1-O 3.26Å; N104-D125 PolarHBondContact ND2-OD1 3Å; N104-D125 PolarHBondContact OD1-OD1 3.41Å; N104-L126 WeakPolarHBondContact ND2-CA 3.19Å; N104-L126 PolarHBondContact ND2-N 3.31Å; N104-H128 WeakPolarHBondContact CB-ND1 3.31Å; N104-H128 PolarHBondContact ND2-CE1 3.37Å; N104-H128 VanDerWaalsContact ND2-CE1 3.3Å; N104-H128 PolarHBondContact ND2-ND1 2.89Å
105	F	68.8	Low	71.2	Confident	46 Å²	46	86 Å²	86	20%	0.202	47%	0.472	C	S	.	.	H	α-helix	trans	-100	-38.7	-170.1	-167.6	-79.8	0	0	0	113.7	Y96 F102 K107 A119 H122	Y96-F105 HydrophobicContact CE1-CB 4.1Å; Y96-F105 AromaticContact CZ-CG 3.98Å; Y96-F105 WeakPolarHBondContact OH-CB 3.25Å; Y96-F105 WeakPolarHBondContact OH-CD1 3.44Å; Y96-F105 WeakPolarHBondContact OH-CG 3.23Å; F102-F105 PolarHBondContact O-N 3.48Å; F102-F105 VanDerWaalsContact O-N 3.11Å; F105-K107 PolarHBondContact O-N 3Å; F105-A119 WeakPolarHBondContact O-CB 3.38Å; F105-H122 HydrophobicContact CE2-CB 4.39Å; F105-H122 VanDerWaalsContact CE2-O 3.25Å; F105-H122 WeakPolarHBondContact CE2-O 3.46Å
106	F	68.7	Low	72.5	Confident	49 Å²	49	83.2 Å²	83.2	22%	0.215	45%	0.452	C	S	.	.			trans	-95.9	88.4	-174	-83.8	-89	0	0	0	111.2	A93 H94 Y96 F102	A93-F106 HydrophobicContact CB-CE1 4.15Å; A93-F106 HydrophobicContact CB-CZ 4.35Å; H94-F106 HydrophobicContact CB-CE2 4.37Å; Y96-F106 HydrophobicContact CD2-CD2 4.08Å; Y96-F106 HydrophobicContact CD2-CE2 4.23Å; Y96-F106 AromaticContact CE2-CD2 3.29Å; Y96-F106 HydrophobicContact CE2-CD2 3.29Å; Y96-F106 AromaticContact CE2-CE2 3.16Å; Y96-F106 HydrophobicContact CE2-CE2 3.16Å; Y96-F106 HydrophobicContact CE2-CZ 4.36Å; Y96-F106 AromaticContact CZ-CD2 3.8Å; Y96-F106 AromaticContact CZ-CE2 3.64Å; Y96-F106 WeakPolarHBondContact OH-CE2 3.42Å; F102-F106 HydrophobicContact CD1-CB 4.19Å; F102-F106 HydrophobicContact CD2-CB 4.03Å; F102-F106 HydrophobicContact CD2-CD2 4.01Å; F102-F106 HydrophobicContact CD2-CG 4.12Å; F102-F106 HydrophobicContact CE1-CB 3.79Å; F102-F106 HydrophobicContact CE2-CB 3.61Å; F102-F106 HydrophobicContact CE2-CD1 4.22Å; F102-F106 AromaticContact CE2-CD2 3.83Å; F102-F106 HydrophobicContact CE2-CD2 3.83Å; F102-F106 AromaticContact CE2-CG 3.57Å; F102-F106 HydrophobicContact CE2-CG 3.57Å; F102-F106 HydrophobicContact CG-CB 4.3Å; F102-F106 HydrophobicContact CZ-CB 3.48Å; F102-F106 VanDerWaalsContact CZ-CB 3.48Å; F102-F106 HydrophobicContact CZ-CD1 4.36Å; F102-F106 AromaticContact CZ-CG 3.86Å; F102-F106 HydrophobicContact CZ-CG 3.86Å; F102-F106 WeakPolarHBondContact O-CB 3.41Å; F102-F106 PolarHBondContact O-N 3.2Å
107	K	72.9	Confident	73.9	Confident	50 Å²	50	81.4 Å²	81.4	22%	0.217	45%	0.449	C	S	.	.			trans	-119.1	77.6	170.6	-64.4	-176.6	-178.6	174.9	0	110.4	S103 F105 S109 T117 K118 A119 G127 D132	S103-K107 VanDerWaalsContact O-CE 3.31Å; S103-K107 WeakPolarHBondContact O-CE 3.26Å; F105-K107 PolarHBondContact O-N 3Å; K107-S109 PolarHBondContact O-N 3.1Å; K107-T117 CarbonylContact O-C 3.52Å; K107-T117 WeakPolarHBondContact O-CA 3.26Å; K107-T117 PolarHBondContact O-OG1 2.87Å; K107-K118 HydrophobicContact CB-CB 4.12Å; K107-K118 PolarHBondContact O-N 3.43Å; K107-A119 HydrophobicContact CB-CB 4.14Å; K107-A119 HydrophobicContact CD-CB 4.2Å; K107-A119 HydrophobicContact CG-CB 4.2Å; K107-G127 PolarHBondContact NZ-O 2.99Å; K107-G127 VanDerWaalsContact NZ-O 3.12Å; K107-D132 IonicContact NZ-OD2 3.83Å
108	T	74.9	Confident	74.8	Confident	92 Å²	92	77.8 Å²	77.8	56%	0.564	43%	0.426	S	S	*	.	B	Isolated β-bridge	trans	-57.3	130.4	179.5	-52.6	0	0	0	0	111.2	G110 F116	T108-G110 PolarHBondContact O-N 3.06Å; T108-G110 VanDerWaalsContact O-N 3.16Å; T108-F116 CarbonylContact C-O 3.51Å; T108-F116 WeakPolarHBondContact CA-O 3.32Å
109	S	77.1	Confident	75.3	Confident	5 Å²	5	75.4 Å²	75.4	4%	0.035	41%	0.41	C	S	.	.			trans	-80.1	98.9	178.2	-176.2	0	0	0	0	110.5	K107 K111 M112 G113 F116	K107-S109 PolarHBondContact O-N 3.1Å; S109-K111 PolarHBondContact O-N 3.46Å; S109-K111 VanDerWaalsContact O-N 3.09Å; S109-M112 PolarHBondContact O-N 3.45Å; S109-M112 WeakPolarHBondContact OG-CE 3.47Å; S109-G113 PolarHBondContact O-N 3Å; S109-F116 PolarHBondContact N-O 3.14Å
110	G	81.6	Confident	76	Confident	74 Å²	74	72.2 Å²	72.2	76%	0.763	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-26	176.5	0	0	0	0	0	114.4	T108	T108-G110 PolarHBondContact O-N 3.06Å; T108-G110 VanDerWaalsContact O-N 3.16Å
111	K	83.6	Confident	76.5	Confident	201 Å²	201	68 Å²	68	87%	0.874	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-29.5	176.1	-66.1	-172.1	178.5	-176.6	0	113.4	S109	S109-K111 PolarHBondContact O-N 3.46Å; S109-K111 VanDerWaalsContact O-N 3.09Å
112	M	80	Confident	77	Confident	108 Å²	108	70.9 Å²	70.9	53%	0.532	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-14.8	-177.7	-63.9	-171.1	-80.1	0	0	112.8	S109 F116	S109-M112 PolarHBondContact O-N 3.45Å; S109-M112 WeakPolarHBondContact OG-CE 3.47Å; M112-F116 HydrophobicContact CB-CB 3.64Å; M112-F116 HydrophobicContact CB-CD1 4.28Å; M112-F116 HydrophobicContact CB-CD2 3.77Å; M112-F116 HydrophobicContact CB-CG 3.63Å; M112-F116 HydrophobicContact CE-CB 4.08Å; M112-F116 VanDerWaalsContact O-CD2 3.28Å; M112-F116 WeakPolarHBondContact O-CD2 3.31Å; M112-F116 HydrophobicContact SD-CB 4.4Å; M112-F116 HydrophobicContact SD-CD1 4.19Å; M112-F116 HydrophobicContact SD-CG 4.39Å
113	G	81.6	Confident	77.4	Confident	21 Å²	21	69 Å²	69	22%	0.216	41%	0.406	C	S	.	.			trans	90.9	-177.9	179.6	0	0	0	0	0	113.7	S109	S109-G113 PolarHBondContact O-N 3Å
114	P	82.8	Confident	78	Confident	124 Å²	124	74 Å²	74	81%	0.805	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	144.4	178.3	-23.2	34	0	0	0	112.4
115	G	78.3	Confident	78.5	Confident	66 Å²	66	77 Å²	77	68%	0.68	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-8.2	180	0	0	0	0	0	115.2
116	F	78.8	Confident	79.1	Confident	111 Å²	111	78.3 Å²	78.3	49%	0.487	46%	0.459	S	S	.	.			trans	-107.9	136.4	174.4	-63.6	-85.7	0	0	0	111.4	T108 S109 M112	T108-F116 CarbonylContact C-O 3.51Å; T108-F116 WeakPolarHBondContact CA-O 3.32Å; S109-F116 PolarHBondContact N-O 3.14Å; M112-F116 HydrophobicContact CB-CB 3.64Å; M112-F116 HydrophobicContact CB-CD1 4.28Å; M112-F116 HydrophobicContact CB-CD2 3.77Å; M112-F116 HydrophobicContact CB-CG 3.63Å; M112-F116 HydrophobicContact CE-CB 4.08Å; M112-F116 VanDerWaalsContact O-CD2 3.28Å; M112-F116 WeakPolarHBondContact O-CD2 3.31Å; M112-F116 HydrophobicContact SD-CB 4.4Å; M112-F116 HydrophobicContact SD-CD1 4.19Å; M112-F116 HydrophobicContact SD-CG 4.39Å
117	T	80.5	Confident	79.7	Confident	34 Å²	34	76.1 Å²	76.1	21%	0.209	45%	0.451	C	S	.	.	B	Isolated β-bridge	trans	-116.7	148.1	178.6	-172.6	0	0	0	0	111.9	K107 A119 H122	K107-T117 CarbonylContact O-C 3.52Å; K107-T117 WeakPolarHBondContact O-CA 3.26Å; K107-T117 PolarHBondContact O-OG1 2.87Å; T117-A119 PolarHBondContact OG1-N 3.08Å; T117-A119 VanDerWaalsContact OG1-N 3.11Å; T117-H122 WeakPolarHBondContact CG2-CE1 3.48Å
118	K	81.5	Confident	80.2	Confident	105 Å²	105	76.9 Å²	76.9	46%	0.457	46%	0.455	S	S	.	.	S	Bend	trans	-88.7	-17.6	167.6	-66.7	-176.5	175.2	178.7	0	112.4	K107 L120	K107-K118 HydrophobicContact CB-CB 4.12Å; K107-K118 PolarHBondContact O-N 3.43Å; K118-L120 VanDerWaalsContact C-N 3.32Å; K118-L120 PolarHBondContact O-N 3.15Å
119	A	80.9	Confident	80.6	Confident	3 Å²	3	76.3 Å²	76.3	3%	0.025	45%	0.447	C	S	.	.			trans	-82.2	78.6	176.9	0	0	0	0	0	109.9	F105 K107 T117 G121 H122	F105-A119 WeakPolarHBondContact O-CB 3.38Å; K107-A119 HydrophobicContact CB-CB 4.14Å; K107-A119 HydrophobicContact CD-CB 4.2Å; K107-A119 HydrophobicContact CG-CB 4.2Å; T117-A119 PolarHBondContact OG1-N 3.08Å; T117-A119 VanDerWaalsContact OG1-N 3.11Å; A119-G121 PolarHBondContact O-N 3.5Å; A119-H122 PolarHBondContact O-N 3.45Å
120	L	81.1	Confident	81	Confident	131 Å²	131	80.7 Å²	80.7	69%	0.686	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.5	-174.5	-59.7	178.7	0	0	0	113.7	K118 H122	K118-L120 VanDerWaalsContact C-N 3.32Å; K118-L120 PolarHBondContact O-N 3.15Å; L120-H122 PolarHBondContact O-CD2 3.11Å; L120-H122 PolarHBondContact O-N 3.01Å
121	G	78.5	Confident	81.2	Confident	46 Å²	46	77.6 Å²	77.6	47%	0.474	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.3	176	0	0	0	0	0	113.8	A119 G123	A119-G121 PolarHBondContact O-N 3.5Å; G121-G123 PolarHBondContact O-N 3.17Å
122	H	76.6	Confident	81.4	Confident	117 Å²	117	70.6 Å²	70.6	54%	0.542	41%	0.405	S	S	.	.			trans	43.6	40.4	178.7	-64.8	-73.8	0	0	0	113.3	F105 T117 A119 L120	F105-H122 HydrophobicContact CE2-CB 4.39Å; F105-H122 VanDerWaalsContact CE2-O 3.25Å; F105-H122 WeakPolarHBondContact CE2-O 3.46Å; T117-H122 WeakPolarHBondContact CG2-CE1 3.48Å; A119-H122 PolarHBondContact O-N 3.45Å; L120-H122 PolarHBondContact O-CD2 3.11Å; L120-H122 PolarHBondContact O-N 3.01Å
123	G	76.6	Confident	81.6	Confident	27 Å²	27	68.9 Å²	68.9	28%	0.278	40%	0.398	S	S	.	.	S	Bend	trans	-176.5	-170.5	-175.1	0	0	0	0	0	111.3	N104 G121 D125	N104-G123 PolarHBondContact OD1-O 3.26Å; G121-G123 PolarHBondContact O-N 3.17Å; G123-D125 PolarHBondContact O-N 3.29Å; G123-D125 VanDerWaalsContact O-N 3.13Å
124	V	80.6	Confident	82	Confident	137 Å²	137	72.8 Å²	72.8	83%	0.83	41%	0.413	S	S	*	.			trans	-83.5	87.4	177.8	-175.6	0	0	0	0	109.1
125	D	82.8	Confident	82.4	Confident	71 Å²	71	73.5 Å²	73.5	38%	0.38	41%	0.405	S	S	.	.			trans	-106.9	1.2	-178.1	66.3	-1.3	0	0	0	113.6	N104 G123 G127	N104-D125 PolarHBondContact ND2-OD1 3Å; N104-D125 PolarHBondContact OD1-OD1 3.41Å; G123-D125 PolarHBondContact O-N 3.29Å; G123-D125 VanDerWaalsContact O-N 3.13Å; D125-G127 PolarHBondContact O-N 3.06Å; D125-G127 WeakPolarHBondContact OD1-CA 3.3Å; D125-G127 PolarHBondContact OD1-N 3.43Å
126	L	81.5	Confident	82.9	Confident	72 Å²	72	73.1 Å²	73.1	38%	0.377	38%	0.383	S	S	.	.			trans	54	26.3	-170.9	-58.8	175.2	0	0	0	114.3	N104 H128 I129 Y130	N104-L126 WeakPolarHBondContact ND2-CA 3.19Å; N104-L126 PolarHBondContact ND2-N 3.31Å; L126-H128 PolarHBondContact O-N 2.98Å; L126-H128 VanDerWaalsContact O-N 3.12Å; L126-I129 HydrophobicContact CD2-CD1 4.26Å; L126-I129 PolarHBondContact O-N 3.12Å; L126-Y130 HydrophobicContact CB-CD2 3.66Å; L126-Y130 HydrophobicContact CB-CE2 3.81Å; L126-Y130 HydrophobicContact CD1-CE2 3.98Å; L126-Y130 WeakPolarHBondContact O-CD2 3.45Å; L126-Y130 PolarHBondContact O-N 3.33Å
127	G	82.6	Confident	83.4	Confident	3 Å²	3	70.8 Å²	70.8	3%	0.031	37%	0.374	C	S	.	.	H	α-helix	trans	-68.1	-8.1	-179.9	0	0	0	0	0	115.1	K107 D125 G131	K107-G127 PolarHBondContact NZ-O 2.99Å; K107-G127 VanDerWaalsContact NZ-O 3.12Å; D125-G127 PolarHBondContact O-N 3.06Å; D125-G127 WeakPolarHBondContact OD1-CA 3.3Å; D125-G127 PolarHBondContact OD1-N 3.43Å; G127-G131 WeakPolarHBondContact CA-O 3.45Å; G127-G131 CarbonylContact O-C 3.51Å; G127-G131 WeakPolarHBondContact O-CA 3.43Å; G127-G131 PolarHBondContact O-N 3.21Å; G127-G131 VanDerWaalsContact O-N 3.13Å
128	H	82.6	Confident	83.9	Confident	66 Å²	66	74.5 Å²	74.5	31%	0.306	39%	0.385	S	S	.	.	H	α-helix	trans	-77.4	-23.5	166.5	63.3	-72.4	0	0	0	112.5	N104 L126	N104-H128 WeakPolarHBondContact CB-ND1 3.31Å; N104-H128 PolarHBondContact ND2-CE1 3.37Å; N104-H128 VanDerWaalsContact ND2-CE1 3.3Å; N104-H128 PolarHBondContact ND2-ND1 2.89Å; L126-H128 PolarHBondContact O-N 2.98Å; L126-H128 VanDerWaalsContact O-N 3.12Å
129	I	83.9	Confident	84.4	Confident	80 Å²	80	72.2 Å²	72.2	41%	0.41	38%	0.376	S	S	.	.	H	α-helix	trans	-94.8	-50.6	175.8	-57.7	177.4	0	0	0	110.2	L126 L148	L126-I129 HydrophobicContact CD2-CD1 4.26Å; L126-I129 PolarHBondContact O-N 3.12Å; I129-L148 HydrophobicContact CG2-CD1 4.06Å
130	Y	85.4	Confident	84.9	Confident	97 Å²	97	72.8 Å²	72.8	38%	0.38	38%	0.379	S	S	.	.	H	α-helix	trans	-89.9	-10.2	-173.3	-63.8	-71.6	0	0	0	113.9	L126 Q137 L148	L126-Y130 HydrophobicContact CB-CD2 3.66Å; L126-Y130 HydrophobicContact CB-CE2 3.81Å; L126-Y130 HydrophobicContact CD1-CE2 3.98Å; L126-Y130 WeakPolarHBondContact O-CD2 3.45Å; L126-Y130 PolarHBondContact O-N 3.33Å; Y130-Q137 WeakPolarHBondContact O-CA 3.29Å; Y130-Q137 VanDerWaalsContact O-CB 3.24Å; Y130-Q137 WeakPolarHBondContact O-CB 3.4Å; Y130-L148 HydrophobicContact CD1-CD1 4.23Å; Y130-L148 HydrophobicContact CD1-CD2 4.04Å; Y130-L148 HydrophobicContact CE1-CD1 3.95Å; Y130-L148 HydrophobicContact CE1-CD2 4.15Å; Y130-L148 HydrophobicContact CE1-CG 4.25Å
131	G	86.1	Confident	85.5	Confident	10 Å²	10	70.2 Å²	70.2	10%	0.103	36%	0.36	C	S	.	.			trans	94.2	155.7	-172.3	0	0	0	0	0	113	G127 N133	G127-G131 WeakPolarHBondContact CA-O 3.45Å; G127-G131 CarbonylContact O-C 3.51Å; G127-G131 WeakPolarHBondContact O-CA 3.43Å; G127-G131 PolarHBondContact O-N 3.21Å; G127-G131 VanDerWaalsContact O-N 3.13Å; G131-N133 VanDerWaalsContact C-N 3.33Å
132	D	86.1	Confident	86.1	Confident	54 Å²	54	71.3 Å²	71.3	29%	0.289	35%	0.354	S	S	.	.	S	Bend	trans	-87.7	-1	-179.5	53.9	9.5	0	0	0	113.6	K107	K107-D132 IonicContact NZ-OD2 3.83Å
133	N	85.8	Confident	86.9	Confident	72 Å²	72	71.8 Å²	71.8	39%	0.385	36%	0.355	S	S	.	.	S	Bend	trans	-148	158.2	179.3	65.8	71.6	0	0	0	111.1	G131 E135 R136 Q137	G131-N133 VanDerWaalsContact C-N 3.33Å; N133-E135 VanDerWaalsContact C-N 3.34Å; N133-E135 PolarHBondContact O-N 3.31Å; N133-E135 PolarHBondContact OD1-N 3.27Å; N133-R136 PolarHBondContact O-N 3.46Å; N133-R136 VanDerWaalsContact OD1-CB 3.26Å; N133-R136 WeakPolarHBondContact OD1-CB 3.35Å; N133-R136 PolarHBondContact OD1-N 3.24Å; N133-Q137 PolarHBondContact O-N 3.11Å
134	L	89.6	Confident	87.6	Confident	102 Å²	102	76.8 Å²	76.8	53%	0.534	37%	0.369	S	S	.	.	H	α-helix	trans	-65.6	-35	-173.5	-170.8	66	0	0	0	113	Q137 Y138	L134-Q137 WeakPolarHBondContact O-CB 3.26Å; L134-Q137 PolarHBondContact O-N 2.98Å; L134-Y138 HydrophobicContact CD1-CD1 4.09Å; L134-Y138 HydrophobicContact CD1-CE1 3.48Å; L134-Y138 VanDerWaalsContact CD1-CE1 3.48Å; L134-Y138 HydrophobicContact CD1-CE2 4.44Å; L134-Y138 HydrophobicContact CD2-CE2 4.17Å; L134-Y138 HydrophobicContact CG-CD1 4.35Å; L134-Y138 HydrophobicContact CG-CD2 4.44Å; L134-Y138 HydrophobicContact CG-CE1 3.94Å; L134-Y138 HydrophobicContact CG-CE2 4.03Å; L134-Y138 WeakPolarHBondContact O-CB 3.25Å; L134-Y138 PolarHBondContact O-N 3.48Å
135	E	90.8	Very high	88	Confident	139 Å²	139	76 Å²	76	65%	0.65	36%	0.361	S	S	*	.	H	α-helix	trans	-63.5	-50.2	179	-177.9	179.5	-173.7	0	0	110.9	N133 Q137 Y138 Q139	N133-E135 VanDerWaalsContact C-N 3.34Å; N133-E135 PolarHBondContact O-N 3.31Å; N133-E135 PolarHBondContact OD1-N 3.27Å; E135-Q137 VanDerWaalsContact C-N 3.29Å; E135-Q137 PolarHBondContact O-N 3.39Å; E135-Y138 PolarHBondContact O-N 3.03Å; E135-Q139 WeakPolarHBondContact O-CG 3.44Å; E135-Q139 PolarHBondContact O-N 3.44Å
136	R	89.1	Confident	88.3	Confident	58 Å²	58	75.8 Å²	75.8	22%	0.219	37%	0.374	C	S	.	.	H	α-helix	trans	-58.9	-42.8	174.3	-175.2	177.5	-175.1	97.5	3.9	111.2	N133 Y138 Q139 L140 V167 L168	N133-R136 PolarHBondContact O-N 3.46Å; N133-R136 VanDerWaalsContact OD1-CB 3.26Å; N133-R136 WeakPolarHBondContact OD1-CB 3.35Å; N133-R136 PolarHBondContact OD1-N 3.24Å; R136-Y138 VanDerWaalsContact C-N 3.33Å; R136-Y138 PolarHBondContact O-N 3.32Å; R136-Q139 PolarHBondContact O-N 3.16Å; R136-L140 HydrophobicContact CG-CD1 4.16Å; R136-L140 WeakPolarHBondContact O-CG 3.48Å; R136-L140 PolarHBondContact O-N 3.34Å; R136-L140 VanDerWaalsContact O-N 3.09Å; R136-V167 HydrophobicContact CG-CB 4.37Å; R136-V167 HydrophobicContact CG-CG1 3.77Å; R136-L168 VanDerWaalsContact CZ-O 3.22Å; R136-L168 PolarHBondContact NH1-O 2.86Å; R136-L168 PolarHBondContact NH2-O 3.46Å
137	Q	88.8	Confident	88.6	Confident	62 Å²	62	77.5 Å²	77.5	29%	0.29	38%	0.379	S	S	.	.	H	α-helix	trans	-60.2	-43.9	176.9	-172.9	-177.8	2.5	0	0	111.7	Y130 N133 L134 E135 L140 R141	Y130-Q137 WeakPolarHBondContact O-CA 3.29Å; Y130-Q137 VanDerWaalsContact O-CB 3.24Å; Y130-Q137 WeakPolarHBondContact O-CB 3.4Å; N133-Q137 PolarHBondContact O-N 3.11Å; L134-Q137 WeakPolarHBondContact O-CB 3.26Å; L134-Q137 PolarHBondContact O-N 2.98Å; E135-Q137 VanDerWaalsContact C-N 3.29Å; E135-Q137 PolarHBondContact O-N 3.39Å; Q137-L140 PolarHBondContact O-N 3.37Å; Q137-R141 VanDerWaalsContact O-CG 3.27Å; Q137-R141 WeakPolarHBondContact O-CG 3.25Å; Q137-R141 PolarHBondContact O-N 2.9Å
138	Y	91.7	Very high	89	Confident	113 Å²	113	79.9 Å²	79.9	44%	0.443	39%	0.391	S	S	.	.	H	α-helix	trans	-66.2	-39.7	177.6	-75.4	1.3	0	0	0	112.2	L134 E135 R136 L140 R141 F143	L134-Y138 HydrophobicContact CD1-CD1 4.09Å; L134-Y138 HydrophobicContact CD1-CE1 3.48Å; L134-Y138 VanDerWaalsContact CD1-CE1 3.48Å; L134-Y138 HydrophobicContact CD1-CE2 4.44Å; L134-Y138 HydrophobicContact CD2-CE2 4.17Å; L134-Y138 HydrophobicContact CG-CD1 4.35Å; L134-Y138 HydrophobicContact CG-CD2 4.44Å; L134-Y138 HydrophobicContact CG-CE1 3.94Å; L134-Y138 HydrophobicContact CG-CE2 4.03Å; L134-Y138 WeakPolarHBondContact O-CB 3.25Å; L134-Y138 PolarHBondContact O-N 3.48Å; E135-Y138 PolarHBondContact O-N 3.03Å; R136-Y138 VanDerWaalsContact C-N 3.33Å; R136-Y138 PolarHBondContact O-N 3.32Å; Y138-L140 VanDerWaalsContact C-N 3.25Å; Y138-L140 PolarHBondContact O-N 2.93Å; Y138-R141 PolarHBondContact O-N 3.13Å; Y138-F143 HydrophobicContact CD1-CE1 4.27Å; Y138-F143 AromaticContact CD1-CZ 3.94Å; Y138-F143 HydrophobicContact CD1-CZ 3.94Å; Y138-F143 AromaticContact CG-CZ 3.85Å; Y138-F143 HydrophobicContact CG-CZ 3.85Å; Y138-F143 WeakPolarHBondContact O-CE2 3.35Å
139	Q	92.3	Very high	89.4	Confident	56 Å²	56	79.4 Å²	79.4	26%	0.262	39%	0.388	S	S	.	.	H	α-helix	trans	-63.6	-30.7	176.5	-71.1	175.2	-13.5	0	0	113.1	E135 R136 K149 P166 V167	E135-Q139 WeakPolarHBondContact O-CG 3.44Å; E135-Q139 PolarHBondContact O-N 3.44Å; R136-Q139 PolarHBondContact O-N 3.16Å; Q139-K149 WeakPolarHBondContact O-CD 3.47Å; Q139-K149 VanDerWaalsContact O-CE 3.27Å; Q139-K149 WeakPolarHBondContact O-CE 3.28Å; Q139-K149 PolarHBondContact O-NZ 2.95Å; Q139-P166 PolarHBondContact OE1-O 3.07Å; Q139-V167 HydrophobicContact CB-CG1 3.63Å
140	L	91.4	Very high	89.8	Confident	16 Å²	16	80.6 Å²	80.6	8%	0.084	39%	0.388	C	S	.	.	H	α-helix	trans	-81.9	-18.6	176.8	-71.3	170.2	0	0	0	114	R136 Q137 Y138 L148 K149 A165 V167	R136-L140 HydrophobicContact CG-CD1 4.16Å; R136-L140 WeakPolarHBondContact O-CG 3.48Å; R136-L140 PolarHBondContact O-N 3.34Å; R136-L140 VanDerWaalsContact O-N 3.09Å; Q137-L140 PolarHBondContact O-N 3.37Å; Y138-L140 VanDerWaalsContact C-N 3.25Å; Y138-L140 PolarHBondContact O-N 2.93Å; L140-L148 HydrophobicContact CB-CD2 4.29Å; L140-K149 PolarHBondContact O-N 2.81Å; L140-A165 HydrophobicContact CD2-CB 4.31Å; L140-V167 HydrophobicContact CD2-CG1 4.39Å; L140-V167 HydrophobicContact CD2-CG2 3.83Å; L140-V167 HydrophobicContact CG-CG1 4.16Å; L140-V167 HydrophobicContact CG-CG2 4.45Å
141	R	92.2	Very high	90.1	Very high	77 Å²	77	78.4 Å²	78.4	29%	0.291	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-81.3	142.3	-177	-77.7	176.1	80.3	-170.5	4	111.8	Q137 Y138 F143 L148 K149	Q137-R141 VanDerWaalsContact O-CG 3.27Å; Q137-R141 WeakPolarHBondContact O-CG 3.25Å; Q137-R141 PolarHBondContact O-N 2.9Å; Y138-R141 PolarHBondContact O-N 3.13Å; R141-F143 VanDerWaalsContact C-N 3.31Å; R141-F143 HydrophobicContact CB-CD1 4.49Å; R141-F143 HydrophobicContact CB-CD2 4.08Å; R141-F143 HydrophobicContact CB-CE1 4.33Å; R141-F143 HydrophobicContact CB-CE2 3.91Å; R141-F143 HydrophobicContact CB-CG 4.38Å; R141-F143 HydrophobicContact CB-CZ 4.04Å; R141-L148 HydrophobicContact CG-CD2 4.06Å; R141-K149 WeakPolarHBondContact O-CE 3.36Å
142	L	91.1	Very high	90.4	Very high	68 Å²	68	82 Å²	82	36%	0.356	40%	0.401	S	S	.	.			trans	-79.8	-18.6	171.4	-170.7	63.6	0	0	0	111.9	K144 K147 K149 Y150	L142-K144 HydrophobicContact CD2-CB 4.24Å; L142-K144 HydrophobicContact CG-CB 4.13Å; L142-K144 PolarHBondContact O-N 2.66Å; L142-K144 VanDerWaalsContact O-N 3.1Å; L142-K147 HydrophobicContact CB-CB 4.45Å; L142-K147 WeakPolarHBondContact CB-O 3.47Å; L142-K147 HydrophobicContact CD2-CB 4.26Å; L142-K147 PolarHBondContact N-O 3.41Å; L142-K149 HydrophobicContact CB-CG 4.43Å; L142-K149 HydrophobicContact CD1-CG 4.31Å; L142-Y150 HydrophobicContact CD2-CE1 4.14Å
143	F	93.3	Very high	90.5	Very high	127 Å²	127	83.3 Å²	83.3	56%	0.557	41%	0.408	S	S	*	.	S	Bend	trans	56.6	18.9	-172.9	-64.3	-79.6	0	0	0	114.9	Y138 R141	Y138-F143 HydrophobicContact CD1-CE1 4.27Å; Y138-F143 AromaticContact CD1-CZ 3.94Å; Y138-F143 HydrophobicContact CD1-CZ 3.94Å; Y138-F143 AromaticContact CG-CZ 3.85Å; Y138-F143 HydrophobicContact CG-CZ 3.85Å; Y138-F143 WeakPolarHBondContact O-CE2 3.35Å; R141-F143 VanDerWaalsContact C-N 3.31Å; R141-F143 HydrophobicContact CB-CD1 4.49Å; R141-F143 HydrophobicContact CB-CD2 4.08Å; R141-F143 HydrophobicContact CB-CE1 4.33Å; R141-F143 HydrophobicContact CB-CE2 3.91Å; R141-F143 HydrophobicContact CB-CG 4.38Å; R141-F143 HydrophobicContact CB-CZ 4.04Å
144	K	92.3	Very high	90.8	Very high	132 Å²	132	88.2 Å²	88.2	57%	0.574	43%	0.434	S	S	*	.	S	Bend	trans	-126.6	130.9	175.3	-170.9	179.2	177.1	179.3	0	109	L142 G146 K147	L142-K144 HydrophobicContact CD2-CB 4.24Å; L142-K144 HydrophobicContact CG-CB 4.13Å; L142-K144 PolarHBondContact O-N 2.66Å; L142-K144 VanDerWaalsContact O-N 3.1Å; K144-G146 PolarHBondContact O-N 3.5Å; K144-K147 WeakPolarHBondContact O-CB 3.33Å; K144-K147 PolarHBondContact O-N 3.14Å
145	D	89.9	Confident	91	Very high	122 Å²	122	86.7 Å²	86.7	65%	0.652	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	22.2	177.9	-47.6	-34	0	0	0	114.6	K147	D145-K147 HydrophobicContact CB-CD 4.25Å; D145-K147 HydrophobicContact CB-CG 4.21Å; D145-K147 PolarHBondContact O-N 3.26Å
146	G	88.8	Confident	90.9	Very high	65 Å²	65	85.7 Å²	85.7	67%	0.67	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	10	-174.5	0	0	0	0	0	115.1	K144	K144-G146 PolarHBondContact O-N 3.5Å
147	K	87.6	Confident	90.7	Very high	108 Å²	108	90 Å²	90	47%	0.47	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-81.9	157.9	-174.1	-64.6	178.3	-179.3	175.2	0	113.5	L142 K144 D145	L142-K147 HydrophobicContact CB-CB 4.45Å; L142-K147 WeakPolarHBondContact CB-O 3.47Å; L142-K147 HydrophobicContact CD2-CB 4.26Å; L142-K147 PolarHBondContact N-O 3.41Å; K144-K147 WeakPolarHBondContact O-CB 3.33Å; K144-K147 PolarHBondContact O-N 3.14Å; D145-K147 HydrophobicContact CB-CD 4.25Å; D145-K147 HydrophobicContact CB-CG 4.21Å; D145-K147 PolarHBondContact O-N 3.26Å
148	L	91.1	Very high	90.7	Very high	54 Å²	54	91.8 Å²	91.8	28%	0.283	47%	0.467	S	S	.	.	B	Isolated β-bridge	trans	-82.6	159.4	164.6	-65	176.9	0	0	0	110.3	I129 Y130 L140 R141 Y150	I129-L148 HydrophobicContact CG2-CD1 4.06Å; Y130-L148 HydrophobicContact CD1-CD1 4.23Å; Y130-L148 HydrophobicContact CD1-CD2 4.04Å; Y130-L148 HydrophobicContact CE1-CD1 3.95Å; Y130-L148 HydrophobicContact CE1-CD2 4.15Å; Y130-L148 HydrophobicContact CE1-CG 4.25Å; L140-L148 HydrophobicContact CB-CD2 4.29Å; R141-L148 HydrophobicContact CG-CD2 4.06Å; L148-Y150 WeakPolarHBondContact O-CD1 3.38Å
149	K	91.3	Very high	90.6	Very high	56 Å²	56	90.5 Å²	90.5	24%	0.243	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-64.9	149	168.3	-67.8	176.6	178.4	175.4	0	109.5	Q139 L140 R141 L142 P160 E164 A165	Q139-K149 WeakPolarHBondContact O-CD 3.47Å; Q139-K149 VanDerWaalsContact O-CE 3.27Å; Q139-K149 WeakPolarHBondContact O-CE 3.28Å; Q139-K149 PolarHBondContact O-NZ 2.95Å; L140-K149 PolarHBondContact O-N 2.81Å; R141-K149 WeakPolarHBondContact O-CE 3.36Å; L142-K149 HydrophobicContact CB-CG 4.43Å; L142-K149 HydrophobicContact CD1-CG 4.31Å; K149-P160 HydrophobicContact CB-CB 3.86Å; K149-P160 HydrophobicContact CB-CG 3.93Å; K149-P160 WeakPolarHBondContact O-CD 3.18Å; K149-E164 PolarHBondContact NZ-O 2.97Å; K149-A165 HydrophobicContact CD-CB 4.12Å
150	Y	91.1	Very high	90.5	Very high	105 Å²	105	88.3 Å²	88.3	41%	0.412	46%	0.463	S	S	.	.			trans	-154.5	157.8	179.7	60.9	-86.1	0	0	0	108.4	L142 L148 V152 M157 Y158	L142-Y150 HydrophobicContact CD2-CE1 4.14Å; L148-Y150 WeakPolarHBondContact O-CD1 3.38Å; Y150-V152 HydrophobicContact CD2-CG2 4.13Å; Y150-V152 HydrophobicContact CE2-CG2 4.05Å; Y150-M157 HydrophobicContact CD2-CG 4.01Å; Y150-M157 HydrophobicContact CD2-SD 4Å; Y150-M157 HydrophobicContact CE2-CG 4.45Å; Y150-M157 HydrophobicContact CE2-SD 4.18Å; Y150-M157 HydrophobicContact CG-SD 4.37Å; Y150-Y158 WeakPolarHBondContact CA-O 3.33Å
151	Q	91.6	Very high	90.4	Very high	50 Å²	50	88.8 Å²	88.8	23%	0.234	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	155.4	168.9	66.3	-172.1	-11.2	0	0	109.3	L153 Y158 P159	Q151-L153 HydrophobicContact CG-CD1 4.39Å; Q151-L153 HydrophobicContact CG-CG 4.26Å; Q151-Y158 PolarHBondContact N-O 3.47Å; Q151-Y158 PolarHBondContact O-N 2.93Å; Q151-P159 VanDerWaalsContact CD-O 3.25Å; Q151-P159 VanDerWaalsContact CG-O 3.28Å; Q151-P159 WeakPolarHBondContact CG-O 3.25Å; Q151-P159 PolarHBondContact NE2-O 3.21Å
152	V	91.9	Very high	90.2	Very high	87 Å²	87	88.3 Å²	88.3	53%	0.527	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118	176.1	-178.8	0	0	0	0	108.4	Y150 E156 M157	Y150-V152 HydrophobicContact CD2-CG2 4.13Å; Y150-V152 HydrophobicContact CE2-CG2 4.05Å; V152-E156 CarbonylContact C-O 3.59Å; V152-E156 VanDerWaalsContact CA-O 3.29Å; V152-E156 WeakPolarHBondContact CA-O 3.19Å; V152-M157 HydrophobicContact CG2-CG 4.32Å
153	L	89.4	Confident	90	Very high	81 Å²	81	94 Å²	94	42%	0.424	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128	177	-56.9	173.3	0	0	0	107.7	Q151 G155 E156 Y158	Q151-L153 HydrophobicContact CG-CD1 4.39Å; Q151-L153 HydrophobicContact CG-CG 4.26Å; L153-G155 PolarHBondContact O-N 3.47Å; L153-E156 PolarHBondContact N-O 3.23Å; L153-E156 PolarHBondContact O-N 2.9Å; L153-Y158 HydrophobicContact CB-CD2 3.76Å; L153-Y158 HydrophobicContact CB-CE2 4.02Å; L153-Y158 HydrophobicContact CD1-CD2 4.11Å; L153-Y158 HydrophobicContact CD1-CG 4.33Å; L153-Y158 HydrophobicContact CG-CD2 4.14Å
154	D	92.4	Very high	89.7	Confident	175 Å²	175	92.7 Å²	92.7	94%	0.936	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	28.4	-179.4	-57.2	-35.8	0	0	0	115	E156	D154-E156 VanDerWaalsContact C-N 3.34Å
155	G	93.4	Very high	89.5	Confident	70 Å²	70	86.4 Å²	86.4	72%	0.722	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-1.8	-178.9	0	0	0	0	0	115	L153	L153-G155 PolarHBondContact O-N 3.47Å
156	E	88.8	Confident	89.4	Confident	118 Å²	118	84.5 Å²	84.5	55%	0.551	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	151.6	176.8	-61.5	-173.5	150.8	0	0	111.8	V152 L153 D154 Y158	V152-E156 CarbonylContact C-O 3.59Å; V152-E156 VanDerWaalsContact CA-O 3.29Å; V152-E156 WeakPolarHBondContact CA-O 3.19Å; L153-E156 PolarHBondContact N-O 3.23Å; L153-E156 PolarHBondContact O-N 2.9Å; D154-E156 VanDerWaalsContact C-N 3.34Å; E156-Y158 HydrophobicContact CB-CD2 4.39Å; E156-Y158 HydrophobicContact CB-CE2 3.67Å; E156-Y158 WeakPolarHBondContact O-CD2 3.45Å; E156-Y158 PolarHBondContact OE2-OH 2.94Å
157	M	85.1	Confident	89.3	Confident	147 Å²	147	81.7 Å²	81.7	72%	0.724	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.4	178.8	-76.6	-171.5	-73.3	0	0	111.4	Y150 V152	Y150-M157 HydrophobicContact CD2-CG 4.01Å; Y150-M157 HydrophobicContact CD2-SD 4Å; Y150-M157 HydrophobicContact CE2-CG 4.45Å; Y150-M157 HydrophobicContact CE2-SD 4.18Å; Y150-M157 HydrophobicContact CG-SD 4.37Å; V152-M157 HydrophobicContact CG2-CG 4.32Å
158	Y	87.8	Confident	89.1	Confident	100 Å²	100	82.3 Å²	82.3	39%	0.392	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	160.6	177.9	-72.3	-83.6	0	0	0	111.6	Y150 Q151 L153 E156	Y150-Y158 WeakPolarHBondContact CA-O 3.33Å; Q151-Y158 PolarHBondContact N-O 3.47Å; Q151-Y158 PolarHBondContact O-N 2.93Å; L153-Y158 HydrophobicContact CB-CD2 3.76Å; L153-Y158 HydrophobicContact CB-CE2 4.02Å; L153-Y158 HydrophobicContact CD1-CD2 4.11Å; L153-Y158 HydrophobicContact CD1-CG 4.33Å; L153-Y158 HydrophobicContact CG-CD2 4.14Å; E156-Y158 HydrophobicContact CB-CD2 4.39Å; E156-Y158 HydrophobicContact CB-CE2 3.67Å; E156-Y158 WeakPolarHBondContact O-CD2 3.45Å; E156-Y158 PolarHBondContact OE2-OH 2.94Å
159	P	89.6	Confident	88.1	Confident	87 Å²	87	82 Å²	82	57%	0.565	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-53.8	147.9	170.4	-25	34.8	0	0	0	111.8	Q151	Q151-P159 VanDerWaalsContact CD-O 3.25Å; Q151-P159 VanDerWaalsContact CG-O 3.28Å; Q151-P159 WeakPolarHBondContact CG-O 3.25Å; Q151-P159 PolarHBondContact NE2-O 3.21Å
160	P	90.6	Very high	86.9	Confident	9 Å²	9	87.6 Å²	87.6	6%	0.058	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-66	153.5	-177.4	31.5	-35.9	0	0	0	110.8	K149 E164 A165	K149-P160 HydrophobicContact CB-CB 3.86Å; K149-P160 HydrophobicContact CB-CG 3.93Å; K149-P160 WeakPolarHBondContact O-CD 3.18Å; P160-E164 HydrophobicContact CB-CB 4.41Å; P160-A165 HydrophobicContact CB-CB 4.18Å; P160-A165 HydrophobicContact CG-CB 3.9Å
161	S	88.6	Confident	85.1	Confident	27 Å²	27	93.7 Å²	93.7	19%	0.189	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-68.5	161.1	172.8	75.8	0	0	0	0	111.3	E163 E164 A165	S161-E163 PolarHBondContact O-N 3.03Å; S161-E163 PolarHBondContact OG-N 2.85Å; S161-E164 PolarHBondContact O-N 3.45Å; S161-E164 PolarHBondContact OG-N 3.48Å; S161-A165 PolarHBondContact O-N 3.42Å
162	V	88.5	Confident	84.8	Confident	67 Å²	67	95.9 Å²	95.9	41%	0.406	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23	175.5	-177.1	0	0	0	0	111.4	A165 P166 M169 Y171	V162-A165 CarbonylContact C-O 3.59Å; V162-A165 WeakPolarHBondContact CA-O 3.49Å; V162-A165 CarbonylContact O-C 3.26Å; V162-A165 VanDerWaalsContact O-C 3.26Å; V162-A165 VanDerWaalsContact O-O 3.06Å; V162-P166 WeakPolarHBondContact O-CA 3.44Å; V162-M169 HydrophobicContact CG2-CB 4.04Å; V162-M169 HydrophobicContact CG2-CG 3.84Å; V162-Y171 HydrophobicContact CG2-CE2 4.05Å
163	E	86.9	Confident	84.4	Confident	187 Å²	187	96.3 Å²	96.3	87%	0.874	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-41.3	175.1	-60.8	-176	173	0	0	111.5	S161	S161-E163 PolarHBondContact O-N 3.03Å; S161-E163 PolarHBondContact OG-N 2.85Å
164	E	86	Confident	84.1	Confident	100 Å²	100	97.2 Å²	97.2	47%	0.467	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-33.4	179.5	-69.7	-178.7	170	0	0	113.1	K149 P160 S161	K149-E164 PolarHBondContact NZ-O 2.97Å; P160-E164 HydrophobicContact CB-CB 4.41Å; S161-E164 PolarHBondContact O-N 3.45Å; S161-E164 PolarHBondContact OG-N 3.48Å
165	A	88.9	Confident	83.7	Confident	0 Å²	0	92.6 Å²	92.6	0%	0	48%	0.476	C	S	.	.	S	Bend	trans	-125.9	98.7	175	0	0	0	0	0	108.2	L140 K149 P160 S161 V162 V167	L140-A165 HydrophobicContact CD2-CB 4.31Å; K149-A165 HydrophobicContact CD-CB 4.12Å; P160-A165 HydrophobicContact CB-CB 4.18Å; P160-A165 HydrophobicContact CG-CB 3.9Å; S161-A165 PolarHBondContact O-N 3.42Å; V162-A165 CarbonylContact C-O 3.59Å; V162-A165 WeakPolarHBondContact CA-O 3.49Å; V162-A165 CarbonylContact O-C 3.26Å; V162-A165 VanDerWaalsContact O-C 3.26Å; V162-A165 VanDerWaalsContact O-O 3.06Å; A165-V167 HydrophobicContact CB-CG2 4.2Å; A165-V167 WeakPolarHBondContact O-CG2 3.38Å; A165-V167 PolarHBondContact O-N 2.83Å
166	P	88.2	Confident	83	Confident	82 Å²	82	94 Å²	94	53%	0.532	46%	0.461	S	S	.	.			trans	-75	57.5	-174.9	32.6	-37.1	0	0	0	111.9	Q139 V162	Q139-P166 PolarHBondContact OE1-O 3.07Å; V162-P166 WeakPolarHBondContact O-CA 3.44Å
167	V	87.2	Confident	82.7	Confident	5 Å²	5	92.4 Å²	92.4	3%	0.03	46%	0.455	C	S	.	.			trans	-105.1	142.3	176.9	-70.7	0	0	0	0	109.3	R136 Q139 L140 A165 M169	R136-V167 HydrophobicContact CG-CB 4.37Å; R136-V167 HydrophobicContact CG-CG1 3.77Å; Q139-V167 HydrophobicContact CB-CG1 3.63Å; L140-V167 HydrophobicContact CD2-CG1 4.39Å; L140-V167 HydrophobicContact CD2-CG2 3.83Å; L140-V167 HydrophobicContact CG-CG1 4.16Å; L140-V167 HydrophobicContact CG-CG2 4.45Å; A165-V167 HydrophobicContact CB-CG2 4.2Å; A165-V167 WeakPolarHBondContact O-CG2 3.38Å; A165-V167 PolarHBondContact O-N 2.83Å; V167-M169 HydrophobicContact CG2-CE 4.09Å; V167-M169 HydrophobicContact CG2-CG 4.02Å; V167-M169 HydrophobicContact CG2-SD 3.98Å; V167-M169 PolarHBondContact O-N 3.09Å
168	L	82.9	Confident	82.5	Confident	122 Å²	122	88.5 Å²	88.5	64%	0.639	44%	0.436	S	S	*	.			trans	-63.4	105	171.7	179.3	67.1	0	0	0	109.5	R136	R136-L168 VanDerWaalsContact CZ-O 3.22Å; R136-L168 PolarHBondContact NH1-O 2.86Å; R136-L168 PolarHBondContact NH2-O 3.46Å
169	M	70.1	Confident	82.1	Confident	48 Å²	48	87.6 Å²	87.6	24%	0.236	44%	0.439	C	S	.	.			trans	-98.4	132.9	173.7	-63.1	-77.8	-139.2	0	0	108.7	V162 V167 Y171	V162-M169 HydrophobicContact CG2-CB 4.04Å; V162-M169 HydrophobicContact CG2-CG 3.84Å; V167-M169 HydrophobicContact CG2-CE 4.09Å; V167-M169 HydrophobicContact CG2-CG 4.02Å; V167-M169 HydrophobicContact CG2-SD 3.98Å; V167-M169 PolarHBondContact O-N 3.09Å; M169-Y171 HydrophobicContact CB-CD2 4.16Å; M169-Y171 HydrophobicContact CB-CE2 3.68Å; M169-Y171 HydrophobicContact CG-CE2 4.39Å
170	H	65.3	Low	81.4	Confident	172 Å²	172	87.7 Å²	87.7	80%	0.796	43%	0.429	S	S	*	.			trans	-102.7	108.8	164.5	-72.7	-71.2	0	0	0	106.2
171	Y	54.2	Low	80.6	Confident	233 Å²	233	94.8 Å²	94.8	91%	0.914	46%	0.462	S	S	*	.			trans	-86	0	171.7	-67.2	-79.8	0	0	0	110.1	V162 M169	V162-Y171 HydrophobicContact CG2-CE2 4.05Å; M169-Y171 HydrophobicContact CB-CD2 4.16Å; M169-Y171 HydrophobicContact CB-CE2 3.68Å; M169-Y171 HydrophobicContact CG-CE2 4.39Å

Retrieved 171 of 171 residues in 76.2 ms (Link to these results)

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