A0A5N4CVD4_CAMDR Loading...

Ubiquitin-conjugating enzyme E2 C

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. In vitro catalyzes 'Lys-11'- and 'Lys-48'-linked polyubiquitination. Acts as an essential factor of the anaphase promoting complex/cyclosome (APC/C), a cell cycle-regulated ubiquitin ligase that controls progression through mitosis. Acts by initiating 'Lys-11'-linked polyubiquitin chains on APC/C substrates, leading to the degradation of APC/C substrates by the proteasome and promoting mitotic exit.

AlphaFold DB , UniProt , Accession A0A5N4CVD4, Species CAMDR (Camelus dromedarius, Dromedary), Gene n/a, Length 179 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	39.4	Very low	41	Very low	243 Å²	243	144.3 Å²	144.3	100%	1.197	85%	0.849	S	S	*	*				0	128.8	0	-81.7	176.4	171	0	0	108.1
2	A	38.4	Very low	41	Very low	93 Å²	93	141.6 Å²	141.6	77%	0.769	84%	0.843	S	S	*	*			trans	51	115.2	155.6	0	0	0	0	0	119.1
3	S	41.1	Very low	41	Very low	103 Å²	103	142.5 Å²	142.5	72%	0.72	85%	0.85	S	S	*	*				74.7	127.6	100	-123.6	0	0	0	0	111.9
4	Q	50.2	Low	40.8	Very low	183 Å²	183	138.7 Å²	138.7	86%	0.855	84%	0.842	S	S	*	*			cis	-175.5	152.5	44	-123.2	152.1	19.5	0	0	109.5
5	N	41.7	Very low	40.9	Very low	152 Å²	152	135.7 Å²	135.7	81%	0.813	84%	0.838	S	S	*	*			trans	-56	153.5	170.9	-91.2	-8.7	0	0	0	114.9
6	R	36.6	Very low	40.8	Very low	243 Å²	243	133.6 Å²	133.6	92%	0.917	84%	0.838	S	S	*	*				-169.6	113.1	127.1	-106.2	175.6	179.3	178.7	0.2	111.7
7	D	43.6	Very low	41.2	Very low	148 Å²	148	139.9 Å²	139.9	79%	0.791	84%	0.842	S	S	*	*			trans	-63.7	153.6	154	-69.6	-66.6	0	0	0	109.8
8	P	44.1	Very low	41.2	Very low	121 Å²	121	143.7 Å²	143.7	79%	0.786	85%	0.846	S	S	*	*				-147.2	160.3	98	34.8	-16.6	0	0	0	116.5
9	A	37.2	Very low	40.9	Very low	96 Å²	96	139.5 Å²	139.5	79%	0.793	84%	0.836	S	S	*	*			trans	77.9	94.7	144.7	0	0	0	0	0	119
10	A	42.1	Very low	41.2	Very low	108 Å²	108	137.6 Å²	137.6	89%	0.893	84%	0.836	S	S	*	*			trans	-61.9	126.1	150.2	0	0	0	0	0	110.6
11	A	36.8	Very low	41.4	Very low	97 Å²	97	139.7 Å²	139.7	80%	0.802	84%	0.836	S	S	*	*			trans	-110.8	102.7	165.4	0	0	0	0	0	108.7
12	S	40.4	Very low	41.8	Very low	112 Å²	112	133.4 Å²	133.4	78%	0.783	81%	0.814	S	S	*	*			trans	-76.4	121.9	173.1	52.6	0	0	0	0	110.6	A14	S12-A14 PolarHBondContact O-N 3.1Å; S12-A14 VanDerWaalsContact O-N 3.16Å
13	V	40.8	Very low	42.3	Very low	154 Å²	154	132.9 Å²	132.9	93%	0.933	80%	0.804	S	S	*	*			trans	-80.2	91.1	172.3	-139.8	0	0	0	0	108.4
14	A	38.6	Very low	42.8	Very low	89 Å²	89	129.6 Å²	129.6	74%	0.736	79%	0.787	S	S	*	*			trans	-92.2	109.6	171.1	0	0	0	0	0	109.3	S12 A16	S12-A14 PolarHBondContact O-N 3.1Å; S12-A14 VanDerWaalsContact O-N 3.16Å; A14-A16 PolarHBondContact O-N 3.17Å
15	A	42.4	Very low	43	Very low	94 Å²	94	123.8 Å²	123.8	78%	0.777	78%	0.776	S	S	*	*			trans	-60.1	118.7	170.3	0	0	0	0	0	110.1	R17	A15-R17 PolarHBondContact O-N 3.46Å
16	A	40.2	Very low	43.8	Very low	102 Å²	102	119.2 Å²	119.2	84%	0.843	76%	0.759	S	S	*	*			trans	-69.2	97.2	173.5	0	0	0	0	0	110	A14 K18	A14-A16 PolarHBondContact O-N 3.17Å; A16-K18 PolarHBondContact O-N 3.36Å
17	R	46.5	Very low	45.1	Very low	241 Å²	241	109.2 Å²	109.2	91%	0.909	73%	0.729	S	S	*	*			trans	-75	103.9	156.5	-72.5	-175	173.6	-172.8	-1.6	107.1	A15 G19	A15-R17 PolarHBondContact O-N 3.46Å; R17-G19 PolarHBondContact O-N 3.28Å
18	K	42.1	Very low	46.4	Very low	208 Å²	208	112.8 Å²	112.8	90%	0.904	73%	0.731	S	S	*	*			trans	-59.3	103.1	166.2	-106.5	178.5	173.4	-179.2	0	107.8	A16 A20	A16-K18 PolarHBondContact O-N 3.36Å; K18-A20 PolarHBondContact O-N 3.03Å
19	G	35.2	Very low	48.6	Very low	64 Å²	64	108.2 Å²	108.2	66%	0.66	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-63	129.8	161.2	0	0	0	0	0	108.1	R17 E21	R17-G19 PolarHBondContact O-N 3.28Å; G19-E21 PolarHBondContact O-N 2.77Å
20	A	47	Very low	51.3	Low	101 Å²	101	109.1 Å²	109.1	84%	0.835	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-60.5	124	166.8	0	0	0	0	0	107.9	K18	K18-A20 PolarHBondContact O-N 3.03Å
21	E	45.8	Very low	53.8	Low	181 Å²	181	105.1 Å²	105.1	85%	0.846	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-64.8	138.6	170.4	-65.4	-163.3	131.6	0	0	108.9	G19 S23	G19-E21 PolarHBondContact O-N 2.77Å; E21-S23 PolarHBondContact O-N 3.42Å
22	P	46.1	Very low	56.6	Low	111 Å²	111	100.5 Å²	100.5	72%	0.721	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-63.5	138.8	171.9	22.3	-22	0	0	0	108	G24	P22-G24 PolarHBondContact O-N 3.02Å
23	S	50.3	Low	59.3	Low	82 Å²	82	101.5 Å²	101.5	57%	0.573	62%	0.62	S	S	*	*			trans	-66.5	49	179.8	51.2	0	0	0	0	112.7	E21 G25	E21-S23 PolarHBondContact O-N 3.42Å; S23-G25 PolarHBondContact O-N 3.49Å; S23-G25 VanDerWaalsContact O-N 3.1Å
24	G	50.3	Low	62	Low	35 Å²	35	96.8 Å²	96.8	36%	0.361	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	0.3	-173.8	0	0	0	0	0	115.4	P22 R28	P22-G24 PolarHBondContact O-N 3.02Å; G24-R28 WeakPolarHBondContact O-CG 3.27Å
25	G	56.2	Low	64.8	Low	60 Å²	60	92.5 Å²	92.5	62%	0.619	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-40.2	179.8	0	0	0	0	0	113.3	S23 R28	S23-G25 PolarHBondContact O-N 3.49Å; S23-G25 VanDerWaalsContact O-N 3.1Å; G25-R28 PolarHBondContact O-N 3.39Å
26	A	58.3	Low	67.4	Low	56 Å²	56	92.3 Å²	92.3	46%	0.463	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-72.1	-34.4	-174.4	0	0	0	0	0	112.4	R28 G29 F60	A26-R28 PolarHBondContact O-N 3.21Å; A26-G29 PolarHBondContact O-N 2.92Å; A26-F60 HydrophobicContact CB-CD2 4.17Å; A26-F60 HydrophobicContact CB-CE2 3.42Å; A26-F60 VanDerWaalsContact CB-CE2 3.42Å; A26-F60 HydrophobicContact CB-CZ 4.1Å; A26-F60 WeakPolarHBondContact O-CZ 3.41Å
27	A	63.4	Low	70.1	Confident	34 Å²	34	92.3 Å²	92.3	28%	0.281	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-69.6	-17.7	177.2	0	0	0	0	0	114	L59	A27-L59 HydrophobicContact CB-CD2 4.07Å
28	R	70.6	Confident	72.6	Confident	222 Å²	222	81 Å²	81	84%	0.838	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-89	-8.2	-178.1	-70.6	178	-179.4	-172.6	1.4	114.1	G24 G25 A26	G24-R28 WeakPolarHBondContact O-CG 3.27Å; G25-R28 PolarHBondContact O-N 3.39Å; A26-R28 PolarHBondContact O-N 3.21Å
29	G	89.7	Confident	75.3	Confident	25 Å²	25	72.7 Å²	72.7	26%	0.258	44%	0.439	S	S	.	.	S	Bend	trans	-77	170.4	178	0	0	0	0	0	113.6	A26 V31 G32 K33	A26-G29 PolarHBondContact O-N 2.92Å; G29-V31 PolarHBondContact O-N 2.74Å; G29-G32 PolarHBondContact O-N 3.42Å; G29-K33 PolarHBondContact O-N 3.48Å
30	P	93.9	Very high	78.2	Confident	115 Å²	115	75.7 Å²	75.7	75%	0.747	44%	0.437	S	S	*	.	H	α-helix	trans	-58.5	-35.5	178.2	23.7	-33.4	0	0	0	112.6	K33 R34	P30-K33 PolarHBondContact O-N 3.05Å; P30-R34 WeakPolarHBondContact O-CB 3.39Å; P30-R34 PolarHBondContact O-N 3.07Å
31	V	95.8	Very high	80.7	Confident	25 Å²	25	74.1 Å²	74.1	15%	0.152	42%	0.418	C	S	.	.	H	α-helix	trans	-65.5	-44.6	174.7	-171.1	0	0	0	0	111.2	G29 K33 R34 L35 F60 Y89	G29-V31 PolarHBondContact O-N 2.74Å; V31-K33 VanDerWaalsContact C-N 3.34Å; V31-K33 PolarHBondContact O-N 3.41Å; V31-R34 WeakPolarHBondContact O-CB 3.32Å; V31-R34 PolarHBondContact O-N 2.98Å; V31-L35 HydrophobicContact CG1-CD1 4.19Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 3.37Å; V31-F60 HydrophobicContact CB-CE1 4.1Å; V31-F60 HydrophobicContact CB-CZ 4.48Å; V31-F60 HydrophobicContact CG1-CD1 4.46Å; V31-F60 HydrophobicContact CG1-CE1 3.65Å; V31-F60 HydrophobicContact CG1-CZ 4.42Å; V31-Y89 HydrophobicContact CG1-CD1 3.97Å; V31-Y89 HydrophobicContact CG1-CG 4.44Å; V31-Y89 VanDerWaalsContact CG2-O 3.25Å; V31-Y89 WeakPolarHBondContact CG2-O 3.42Å
32	G	95.6	Very high	83.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-60.4	-43.8	175.4	0	0	0	0	0	112.1	G29 R34 L35 Q36 L59	G29-G32 PolarHBondContact O-N 3.42Å; G32-R34 VanDerWaalsContact C-N 3.33Å; G32-R34 PolarHBondContact O-N 3.37Å; G32-L35 PolarHBondContact O-N 3.28Å; G32-Q36 WeakPolarHBondContact O-CG 3.45Å; G32-Q36 PolarHBondContact O-N 3.27Å; G32-L59 WeakPolarHBondContact O-CD2 3.26Å
33	K	95.9	Very high	85.5	Confident	132 Å²	132	66.6 Å²	66.6	57%	0.574	37%	0.374	S	S	*	.	H	α-helix	trans	-59.8	-42.9	174.2	-173.9	178.4	-180	-178.9	0	112	G29 P30 V31 Q36 Q37	G29-K33 PolarHBondContact O-N 3.48Å; P30-K33 PolarHBondContact O-N 3.05Å; V31-K33 VanDerWaalsContact C-N 3.34Å; V31-K33 PolarHBondContact O-N 3.41Å; K33-Q36 PolarHBondContact O-N 3Å; K33-Q37 WeakPolarHBondContact O-CG 3.37Å; K33-Q37 PolarHBondContact O-N 2.87Å; K33-Q37 VanDerWaalsContact O-N 3.08Å
34	R	97.6	Very high	87.7	Confident	55 Å²	55	70.3 Å²	70.3	21%	0.208	39%	0.385	C	S	.	.	H	α-helix	trans	-60	-48.6	175.4	172	64.4	-171.9	-92.8	-18.7	111.4	P30 V31 G32 Q36 Q37 E38 Y89 A124 Y126	P30-R34 WeakPolarHBondContact O-CB 3.39Å; P30-R34 PolarHBondContact O-N 3.07Å; V31-R34 WeakPolarHBondContact O-CB 3.32Å; V31-R34 PolarHBondContact O-N 2.98Å; G32-R34 VanDerWaalsContact C-N 3.33Å; G32-R34 PolarHBondContact O-N 3.37Å; R34-Q36 VanDerWaalsContact C-N 3.34Å; R34-Q36 PolarHBondContact O-N 3.43Å; R34-Q37 WeakPolarHBondContact O-CB 2.96Å; R34-Q37 PolarHBondContact O-N 2.95Å; R34-Q37 VanDerWaalsContact O-N 3.14Å; R34-E38 IonicContact CZ-OE1 2.78Å; R34-E38 IonicContact NE-OE1 2.73Å; R34-E38 PolarHBondContact NE-OE1 3.45Å; R34-E38 IonicContact NH2-OE1 2.64Å; R34-E38 PolarHBondContact NH2-OE1 2.84Å; R34-E38 PolarHBondContact O-N 3.1Å; R34-Y89 HydrophobicContact CG-CE1 3.96Å; R34-Y89 PolarHBondContact NH2-OH 3.08Å; R34-A124 PolarHBondContact NH1-O 3.49Å; R34-A124 PolarHBondContact NH2-O 3.46Å; R34-Y126 PolarHBondContact NH2-O 3.08Å
35	L	98.1	Very high	89.8	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-64.7	-36.2	179.8	-68	171.6	0	0	0	112.8	V31 G32 E38 L39 L59 F60 W62 F85 Y89	V31-L35 HydrophobicContact CG1-CD1 4.19Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 3.37Å; G32-L35 PolarHBondContact O-N 3.28Å; L35-E38 PolarHBondContact O-N 3.45Å; L35-L39 PolarHBondContact O-N 3.16Å; L35-L59 HydrophobicContact CB-CD1 4.33Å; L35-L59 HydrophobicContact CB-CD2 4.2Å; L35-L59 HydrophobicContact CB-CG 4.02Å; L35-L59 HydrophobicContact CD1-CG 4.29Å; L35-L59 WeakPolarHBondContact CD1-O 3.42Å; L35-F60 HydrophobicContact CD1-CD1 4.03Å; L35-F60 HydrophobicContact CD1-CE1 4.16Å; L35-F60 HydrophobicContact CD1-CG 4.49Å; L35-W62 HydrophobicContact CB-CZ2 4.29Å; L35-F85 HydrophobicContact CD1-CB 4.22Å; L35-F85 HydrophobicContact CD1-CD2 4.31Å; L35-F85 HydrophobicContact CD1-CG 4.12Å; L35-F85 HydrophobicContact CD2-CD1 3.44Å; L35-F85 VanDerWaalsContact CD2-CD1 3.44Å; L35-F85 HydrophobicContact CD2-CD2 4.08Å; L35-F85 HydrophobicContact CD2-CE1 3.5Å; L35-F85 HydrophobicContact CD2-CE2 4.17Å; L35-F85 HydrophobicContact CD2-CG 3.75Å; L35-F85 HydrophobicContact CD2-CZ 3.88Å; L35-Y89 HydrophobicContact CD2-CD1 3.95Å; L35-Y89 HydrophobicContact CD2-CE1 3.66Å; L35-Y89 HydrophobicContact CG-CD1 4.34Å; L35-Y89 HydrophobicContact CG-CE1 4.36Å
36	Q	96.8	Very high	91.5	Very high	90 Å²	90	70.9 Å²	70.9	42%	0.421	38%	0.384	S	S	.	.	H	α-helix	trans	-63.1	-41.1	172.2	-74.6	175.4	-19.2	0	0	112.1	G32 K33 R34 L39 M40 L59	G32-Q36 WeakPolarHBondContact O-CG 3.45Å; G32-Q36 PolarHBondContact O-N 3.27Å; K33-Q36 PolarHBondContact O-N 3Å; R34-Q36 VanDerWaalsContact C-N 3.34Å; R34-Q36 PolarHBondContact O-N 3.43Å; Q36-L39 PolarHBondContact O-N 2.63Å; Q36-M40 WeakPolarHBondContact O-CG 3.29Å; Q36-M40 PolarHBondContact O-N 3.46Å; Q36-M40 VanDerWaalsContact O-N 3.08Å; Q36-L59 HydrophobicContact CG-CD1 4.5Å; Q36-L59 HydrophobicContact CG-CD2 3.98Å
37	Q	97.8	Very high	93.4	Very high	101 Å²	101	70.2 Å²	70.2	47%	0.472	37%	0.373	S	S	.	.	H	α-helix	trans	-63.9	-42.3	175.6	-72.1	173.9	-26.6	0	0	111.3	K33 R34 L39 M40 T41	K33-Q37 WeakPolarHBondContact O-CG 3.37Å; K33-Q37 PolarHBondContact O-N 2.87Å; K33-Q37 VanDerWaalsContact O-N 3.08Å; R34-Q37 WeakPolarHBondContact O-CB 2.96Å; R34-Q37 PolarHBondContact O-N 2.95Å; R34-Q37 VanDerWaalsContact O-N 3.14Å; Q37-L39 VanDerWaalsContact C-N 3.34Å; Q37-L39 PolarHBondContact O-N 3.02Å; Q37-M40 PolarHBondContact O-N 3.13Å; Q37-T41 PolarHBondContact O-N 3.01Å; Q37-T41 PolarHBondContact O-OG1 3.48Å; Q37-T41 VanDerWaalsContact O-OG1 3.08Å
38	E	98.6	Very high	94.9	Very high	5 Å²	5	77.6 Å²	77.6	2%	0.023	40%	0.399	C	S	.	.	H	α-helix	trans	-64.6	-37.7	176.3	-69.6	-174	-149.6	0	0	113.1	R34 L35 M40 T41 L42 Y89 D127 V128	R34-E38 IonicContact CZ-OE1 2.78Å; R34-E38 IonicContact NE-OE1 2.73Å; R34-E38 PolarHBondContact NE-OE1 3.45Å; R34-E38 IonicContact NH2-OE1 2.64Å; R34-E38 PolarHBondContact NH2-OE1 2.84Å; R34-E38 PolarHBondContact O-N 3.1Å; L35-E38 PolarHBondContact O-N 3.45Å; E38-M40 VanDerWaalsContact C-N 3.32Å; E38-M40 PolarHBondContact O-N 3.12Å; E38-T41 PolarHBondContact O-N 3.13Å; E38-L42 WeakPolarHBondContact O-CB 3.44Å; E38-L42 PolarHBondContact O-N 2.81Å; E38-Y89 VanDerWaalsContact CD-OH 3.31Å; E38-Y89 PolarHBondContact OE1-OH 2.88Å; E38-Y89 PolarHBondContact OE2-OH 2.77Å; E38-D127 HydrophobicContact CB-CB 4.44Å; E38-D127 VanDerWaalsContact CD-CB 3.47Å; E38-D127 HydrophobicContact CG-CB 3.69Å; E38-D127 WeakPolarHBondContact OE2-CA 3.4Å; E38-D127 WeakPolarHBondContact OE2-CB 3.46Å; E38-V128 WeakPolarHBondContact OE2-CG2 3.42Å; E38-V128 PolarHBondContact OE2-N 3.24Å
39	L	98.1	Very high	96.2	Very high	32 Å²	32	68.4 Å²	68.4	17%	0.168	37%	0.372	C	S	.	.	H	α-helix	trans	-59.8	-47.1	173.9	-176.5	57.9	0	0	0	110.3	L35 Q36 Q37 L42 M43 F53 P54 W62	L35-L39 PolarHBondContact O-N 3.16Å; Q36-L39 PolarHBondContact O-N 2.63Å; Q37-L39 VanDerWaalsContact C-N 3.34Å; Q37-L39 PolarHBondContact O-N 3.02Å; L39-L42 PolarHBondContact O-N 3.35Å; L39-M43 HydrophobicContact CD1-CG 4.36Å; L39-M43 HydrophobicContact CD1-SD 4.24Å; L39-M43 HydrophobicContact CG-SD 4.06Å; L39-M43 WeakPolarHBondContact O-CB 3.17Å; L39-M43 VanDerWaalsContact O-CG 3.24Å; L39-M43 WeakPolarHBondContact O-CG 3.49Å; L39-M43 PolarHBondContact O-N 3.5Å; L39-F53 HydrophobicContact CD1-CD1 4.11Å; L39-F53 HydrophobicContact CD1-CE1 4.47Å; L39-P54 HydrophobicContact CD2-CG 4.15Å; L39-W62 HydrophobicContact CB-CH2 3.52Å; L39-W62 HydrophobicContact CB-CZ2 4.11Å; L39-W62 HydrophobicContact CB-CZ3 4.31Å; L39-W62 HydrophobicContact CD1-CH2 3.88Å; L39-W62 HydrophobicContact CD1-CZ3 3.85Å; L39-W62 HydrophobicContact CG-CH2 4.23Å
40	M	97.3	Very high	96.6	Very high	128 Å²	128	68 Å²	68	63%	0.631	36%	0.364	S	S	*	.	H	α-helix	trans	-61.8	-45.1	176.7	-68.7	-179.1	-175	0	0	111.7	Q36 Q37 E38 L42 M43 M44	Q36-M40 WeakPolarHBondContact O-CG 3.29Å; Q36-M40 PolarHBondContact O-N 3.46Å; Q36-M40 VanDerWaalsContact O-N 3.08Å; Q37-M40 PolarHBondContact O-N 3.13Å; E38-M40 VanDerWaalsContact C-N 3.32Å; E38-M40 PolarHBondContact O-N 3.12Å; M40-L42 VanDerWaalsContact C-N 3.34Å; M40-L42 PolarHBondContact O-N 3.15Å; M40-M43 PolarHBondContact O-N 3.3Å; M40-M44 WeakPolarHBondContact O-CB 3.22Å; M40-M44 VanDerWaalsContact O-CG 3.23Å; M40-M44 WeakPolarHBondContact O-CG 3.45Å; M40-M44 PolarHBondContact O-N 2.96Å
41	T	98	Very high	96.8	Very high	68 Å²	68	64.7 Å²	64.7	42%	0.417	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-46.3	177	-62.8	0	0	0	0	111.4	Q37 E38 M44 S45	Q37-T41 PolarHBondContact O-N 3.01Å; Q37-T41 PolarHBondContact O-OG1 3.48Å; Q37-T41 VanDerWaalsContact O-OG1 3.08Å; E38-T41 PolarHBondContact O-N 3.13Å; T41-M44 PolarHBondContact O-N 2.98Å; T41-S45 WeakPolarHBondContact O-CB 3.42Å; T41-S45 PolarHBondContact O-N 2.93Å
42	L	98.1	Very high	97	Very high	14 Å²	14	63.6 Å²	63.6	7%	0.073	34%	0.337	C	S	.	.	H	α-helix	trans	-64.5	-41.2	178.2	-179	64	0	0	0	112.2	E38 L39 M40 M44 S45 I50 A52 V128 R129 L132	E38-L42 WeakPolarHBondContact O-CB 3.44Å; E38-L42 PolarHBondContact O-N 2.81Å; L39-L42 PolarHBondContact O-N 3.35Å; M40-L42 VanDerWaalsContact C-N 3.34Å; M40-L42 PolarHBondContact O-N 3.15Å; L42-M44 VanDerWaalsContact C-N 3.29Å; L42-M44 PolarHBondContact O-N 3.32Å; L42-S45 PolarHBondContact O-OG 2.99Å; L42-I50 HydrophobicContact CD1-CD1 4.12Å; L42-A52 HydrophobicContact CD2-CB 3.9Å; L42-V128 HydrophobicContact CD2-CG1 3.97Å; L42-R129 HydrophobicContact CD1-CB 4.02Å; L42-R129 HydrophobicContact CD1-CG 4.3Å; L42-L132 HydrophobicContact CD1-CD1 4.29Å; L42-L132 HydrophobicContact CD2-CD1 4.08Å
43	M	96	Very high	97.1	Very high	119 Å²	119	68.9 Å²	68.9	59%	0.586	36%	0.361	S	S	*	.	H	α-helix	trans	-66.9	-31.8	178.4	-71.3	178.2	71.9	0	0	112.5	L39 M40 F53	L39-M43 HydrophobicContact CD1-CG 4.36Å; L39-M43 HydrophobicContact CD1-SD 4.24Å; L39-M43 HydrophobicContact CG-SD 4.06Å; L39-M43 WeakPolarHBondContact O-CB 3.17Å; L39-M43 VanDerWaalsContact O-CG 3.24Å; L39-M43 WeakPolarHBondContact O-CG 3.49Å; L39-M43 PolarHBondContact O-N 3.5Å; M40-M43 PolarHBondContact O-N 3.3Å; M43-F53 HydrophobicContact CG-CE1 4.43Å; M43-F53 HydrophobicContact SD-CE1 4.28Å
44	M	95.8	Very high	97.2	Very high	160 Å²	160	64.2 Å²	64.2	79%	0.788	34%	0.344	S	S	*	.	H	α-helix	trans	-90.1	-14.6	-177.5	-66.3	-61.9	-62.9	0	0	113.8	M40 T41 L42	M40-M44 WeakPolarHBondContact O-CB 3.22Å; M40-M44 VanDerWaalsContact O-CG 3.23Å; M40-M44 WeakPolarHBondContact O-CG 3.45Å; M40-M44 PolarHBondContact O-N 2.96Å; T41-M44 PolarHBondContact O-N 2.98Å; L42-M44 VanDerWaalsContact C-N 3.29Å; L42-M44 PolarHBondContact O-N 3.32Å
45	S	94.4	Very high	97	Very high	43 Å²	43	65.2 Å²	65.2	30%	0.301	35%	0.351	S	S	.	.	H	α-helix	trans	-73.1	-29.5	-176	66.6	0	0	0	0	113.5	T41 L42 D47	T41-S45 WeakPolarHBondContact O-CB 3.42Å; T41-S45 PolarHBondContact O-N 2.93Å; L42-S45 PolarHBondContact O-OG 2.99Å; S45-D47 WeakPolarHBondContact CB-OD2 3.5Å; S45-D47 PolarHBondContact O-N 2.82Å; S45-D47 PolarHBondContact OG-OD2 3.32Å
46	G	92.2	Very high	96.6	Very high	65 Å²	65	70.7 Å²	70.7	67%	0.67	39%	0.389	S	S	*	.			trans	65.8	23.2	-179.5	0	0	0	0	0	114.1	K48	G46-K48 PolarHBondContact O-N 3.22Å
47	D	97.1	Very high	96.1	Very high	41 Å²	41	72 Å²	72	22%	0.219	40%	0.399	C	S	.	.			trans	-64.6	134.9	179.6	-58.4	-66.5	0	0	0	111	S45 I50 R129 L133	S45-D47 WeakPolarHBondContact CB-OD2 3.5Å; S45-D47 PolarHBondContact O-N 2.82Å; S45-D47 PolarHBondContact OG-OD2 3.32Å; D47-I50 HydrophobicContact CB-CD1 3.79Å; D47-I50 HydrophobicContact CB-CG1 3.65Å; D47-R129 IonicContact OD1-CZ 3.6Å; D47-R129 IonicContact OD1-NE 3.53Å; D47-R129 IonicContact OD1-NH2 2.8Å; D47-R129 PolarHBondContact OD1-NH2 2.85Å; D47-R129 WeakPolarHBondContact OD2-CD 3.48Å; D47-R129 IonicContact OD2-CZ 3.52Å; D47-R129 IonicContact OD2-NE 2.67Å; D47-R129 PolarHBondContact OD2-NE 2.89Å; D47-R129 IonicContact OD2-NH2 3.5Å; D47-L133 HydrophobicContact CB-CD2 4.34Å
48	K	96.1	Very high	95.8	Very high	190 Å²	190	70.5 Å²	70.5	83%	0.826	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	133	-175.7	-67	-175.2	-179.7	-179.2	0	111.5	G46 I50 Q136	G46-K48 PolarHBondContact O-N 3.22Å; K48-I50 VanDerWaalsContact C-N 3.27Å; K48-I50 PolarHBondContact O-N 3.26Å; K48-Q136 PolarHBondContact O-NE2 3.26Å
49	G	97.1	Very high	95.6	Very high	28 Å²	28	71.1 Å²	71.1	29%	0.289	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	7.7	170.6	0	0	0	0	0	114.7	I66 H67	G49-I66 CarbonylContact O-C 3.47Å; G49-I66 WeakPolarHBondContact O-CA 3.44Å; G49-H67 PolarHBondContact O-N 3.47Å
50	I	98.6	Very high	95.6	Very high	16 Å²	16	71.6 Å²	71.6	8%	0.082	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.5	170.9	63.8	161.3	0	0	0	110.8	L42 D47 K48 T65 I66 L132 L133 Q136	L42-I50 HydrophobicContact CD1-CD1 4.12Å; D47-I50 HydrophobicContact CB-CD1 3.79Å; D47-I50 HydrophobicContact CB-CG1 3.65Å; K48-I50 VanDerWaalsContact C-N 3.27Å; K48-I50 PolarHBondContact O-N 3.26Å; I50-T65 WeakPolarHBondContact CA-O 3.42Å; I50-I66 HydrophobicContact CG2-CG1 4.16Å; I50-L132 HydrophobicContact CB-CB 4.07Å; I50-L132 HydrophobicContact CB-CD1 4.32Å; I50-L132 HydrophobicContact CD1-CB 3.85Å; I50-L132 HydrophobicContact CD1-CD1 4.44Å; I50-L132 HydrophobicContact CG2-CB 4.15Å; I50-L133 HydrophobicContact CD1-CD2 3.68Å; I50-L133 HydrophobicContact CD1-CG 3.68Å; I50-L133 HydrophobicContact CG1-CD2 4.4Å; I50-Q136 HydrophobicContact CG2-CB 4.3Å
51	S	98.4	Very high	95.6	Very high	47 Å²	47	68.3 Å²	68.3	33%	0.329	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	156.5	173	62	0	0	0	0	109.6	G64 T65	S51-G64 CarbonylContact O-C 3.54Å; S51-G64 VanDerWaalsContact O-CA 3.25Å; S51-G64 WeakPolarHBondContact O-CA 3.43Å; S51-T65 PolarHBondContact N-O 2.75Å; S51-T65 PolarHBondContact O-N 3.49Å
52	A	98.4	Very high	95.6	Very high	1 Å²	1	65 Å²	65	1%	0.008	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	149.6	169.3	0	0	0	0	0	111.1	L42 W62 V63 V128 L132	L42-A52 HydrophobicContact CD2-CB 3.9Å; A52-W62 HydrophobicContact CB-CE3 3.86Å; A52-W62 HydrophobicContact CB-CZ3 4.43Å; A52-V63 VanDerWaalsContact CA-O 3.28Å; A52-V63 WeakPolarHBondContact CA-O 3.31Å; A52-V128 HydrophobicContact CB-CG1 4.04Å; A52-L132 HydrophobicContact CB-CD1 3.91Å
53	F	97.9	Very high	95.7	Very high	112 Å²	112	66.4 Å²	66.4	49%	0.491	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150.2	177.6	-65.5	-83.8	0	0	0	111.1	L39 M43 W62 V63	L39-F53 HydrophobicContact CD1-CD1 4.11Å; L39-F53 HydrophobicContact CD1-CE1 4.47Å; M43-F53 HydrophobicContact CG-CE1 4.43Å; M43-F53 HydrophobicContact SD-CE1 4.28Å; F53-W62 CarbonylContact O-C 3.49Å; F53-W62 VanDerWaalsContact O-CA 3.23Å; F53-W62 WeakPolarHBondContact O-CA 3.44Å; F53-W62 WeakPolarHBondContact O-CB 3.29Å; F53-V63 PolarHBondContact N-O 3.2Å; F53-V63 PolarHBondContact O-N 2.95Å
54	P	97.6	Very high	95.8	Very high	34 Å²	34	60.7 Å²	60.7	22%	0.221	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	142.8	169.3	-22.3	31.9	0	0	0	112.3	L39 S56 L59 W62	L39-P54 HydrophobicContact CD2-CG 4.15Å; P54-S56 PolarHBondContact O-N 2.81Å; P54-L59 HydrophobicContact CB-CD1 4.42Å; P54-L59 HydrophobicContact CG-CD1 3.81Å; P54-W62 HydrophobicContact CG-CD2 4.23Å; P54-W62 HydrophobicContact CG-CG 4.46Å; P54-W62 HydrophobicContact CG-CZ2 4.18Å
55	E	94.1	Very high	95.9	Very high	75 Å²	75	54.5 Å²	54.5	35%	0.35	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	110.7	174.7	-172.2	176.6	-97.9	0	0	109.2	D57 N58 K61	E55-D57 PolarHBondContact O-N 3.23Å; E55-N58 PolarHBondContact O-N 2.87Å; E55-K61 HydrophobicContact CB-CG 4.42Å; E55-K61 WeakPolarHBondContact CB-O 3.32Å; E55-K61 PolarHBondContact N-O 3.07Å; E55-K61 IonicContact OE1-NZ 3.49Å; E55-K61 PolarHBondContact OE1-NZ 3.22Å; E55-K61 WeakPolarHBondContact OE2-CD 3.3Å; E55-K61 WeakPolarHBondContact OE2-CE 3.35Å; E55-K61 IonicContact OE2-NZ 2.75Å; E55-K61 PolarHBondContact OE2-NZ 3.45Å
56	S	89.4	Confident	96.1	Very high	116 Å²	116	52.5 Å²	52.5	81%	0.811	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	-116.6	179.8	-52.6	0	0	0	0	112.6	P54	P54-S56 PolarHBondContact O-N 2.81Å
57	D	86.4	Confident	96.4	Very high	117 Å²	117	53.5 Å²	53.5	63%	0.626	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	0.8	-179.6	62.4	-20	0	0	0	113.4	E55 L59	E55-D57 PolarHBondContact O-N 3.23Å; D57-L59 PolarHBondContact O-N 2.86Å
58	N	91.9	Very high	96.5	Very high	69 Å²	69	52.1 Å²	52.1	37%	0.369	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	97.7	-179	-173.1	-1	0	0	0	112.1	E55 F60 K61	E55-N58 PolarHBondContact O-N 2.87Å; N58-F60 PolarHBondContact O-N 3.15Å; N58-F60 VanDerWaalsContact O-N 3.08Å; N58-F60 WeakPolarHBondContact OD1-CB 3.31Å; N58-F60 PolarHBondContact OD1-N 3.01Å; N58-K61 PolarHBondContact O-N 3.43Å
59	L	95.1	Very high	96.6	Very high	19 Å²	19	45 Å²	45	10%	0.099	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-16.2	176.8	-168.5	62.3	0	0	0	114	A27 G32 L35 Q36 P54 D57 W62	A27-L59 HydrophobicContact CB-CD2 4.07Å; G32-L59 WeakPolarHBondContact O-CD2 3.26Å; L35-L59 HydrophobicContact CB-CD1 4.33Å; L35-L59 HydrophobicContact CB-CD2 4.2Å; L35-L59 HydrophobicContact CB-CG 4.02Å; L35-L59 HydrophobicContact CD1-CG 4.29Å; L35-L59 WeakPolarHBondContact CD1-O 3.42Å; Q36-L59 HydrophobicContact CG-CD1 4.5Å; Q36-L59 HydrophobicContact CG-CD2 3.98Å; P54-L59 HydrophobicContact CB-CD1 4.42Å; P54-L59 HydrophobicContact CG-CD1 3.81Å; D57-L59 PolarHBondContact O-N 2.86Å; L59-W62 HydrophobicContact CD1-CZ2 4.43Å; L59-W62 PolarHBondContact O-NE1 3.27Å
60	F	96.9	Very high	96.6	Very high	42 Å²	42	47.6 Å²	47.6	18%	0.184	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	3.7	-177.6	-62	-97	0	0	0	113.3	A26 V31 L35 N58 E84 F85	A26-F60 HydrophobicContact CB-CD2 4.17Å; A26-F60 HydrophobicContact CB-CE2 3.42Å; A26-F60 VanDerWaalsContact CB-CE2 3.42Å; A26-F60 HydrophobicContact CB-CZ 4.1Å; A26-F60 WeakPolarHBondContact O-CZ 3.41Å; V31-F60 HydrophobicContact CB-CE1 4.1Å; V31-F60 HydrophobicContact CB-CZ 4.48Å; V31-F60 HydrophobicContact CG1-CD1 4.46Å; V31-F60 HydrophobicContact CG1-CE1 3.65Å; V31-F60 HydrophobicContact CG1-CZ 4.42Å; L35-F60 HydrophobicContact CD1-CD1 4.03Å; L35-F60 HydrophobicContact CD1-CE1 4.16Å; L35-F60 HydrophobicContact CD1-CG 4.49Å; N58-F60 PolarHBondContact O-N 3.15Å; N58-F60 VanDerWaalsContact O-N 3.08Å; N58-F60 WeakPolarHBondContact OD1-CB 3.31Å; N58-F60 PolarHBondContact OD1-N 3.01Å; F60-E84 WeakPolarHBondContact O-CA 3.37Å; F60-F85 HydrophobicContact CB-CB 4.48Å; F60-F85 HydrophobicContact CD1-CB 4.26Å; F60-F85 WeakPolarHBondContact O-CD2 3.44Å; F60-F85 PolarHBondContact O-N 3.47Å
61	K	98.1	Very high	96.5	Very high	58 Å²	58	50.3 Å²	50.3	25%	0.252	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	121.7	173.4	-176	171.8	178.7	-144	0	109.7	E55 N58 L83 E84	E55-K61 HydrophobicContact CB-CG 4.42Å; E55-K61 WeakPolarHBondContact CB-O 3.32Å; E55-K61 PolarHBondContact N-O 3.07Å; E55-K61 IonicContact OE1-NZ 3.49Å; E55-K61 PolarHBondContact OE1-NZ 3.22Å; E55-K61 WeakPolarHBondContact OE2-CD 3.3Å; E55-K61 WeakPolarHBondContact OE2-CE 3.35Å; E55-K61 IonicContact OE2-NZ 2.75Å; E55-K61 PolarHBondContact OE2-NZ 3.45Å; N58-K61 PolarHBondContact O-N 3.43Å; K61-L83 CarbonylContact C-O 3.29Å; K61-L83 WeakPolarHBondContact CA-O 3.38Å; K61-E84 HydrophobicContact CD-CG 4.31Å; K61-E84 HydrophobicContact CG-CG 4Å
62	W	98.6	Very high	96.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	154	-176.8	-67.6	30.3	0	0	0	110.4	L35 L39 A52 F53 P54 L59 S82 L83 F85 V128	L35-W62 HydrophobicContact CB-CZ2 4.29Å; L39-W62 HydrophobicContact CB-CH2 3.52Å; L39-W62 HydrophobicContact CB-CZ2 4.11Å; L39-W62 HydrophobicContact CB-CZ3 4.31Å; L39-W62 HydrophobicContact CD1-CH2 3.88Å; L39-W62 HydrophobicContact CD1-CZ3 3.85Å; L39-W62 HydrophobicContact CG-CH2 4.23Å; A52-W62 HydrophobicContact CB-CE3 3.86Å; A52-W62 HydrophobicContact CB-CZ3 4.43Å; F53-W62 CarbonylContact O-C 3.49Å; F53-W62 VanDerWaalsContact O-CA 3.23Å; F53-W62 WeakPolarHBondContact O-CA 3.44Å; F53-W62 WeakPolarHBondContact O-CB 3.29Å; P54-W62 HydrophobicContact CG-CD2 4.23Å; P54-W62 HydrophobicContact CG-CG 4.46Å; P54-W62 HydrophobicContact CG-CZ2 4.18Å; L59-W62 HydrophobicContact CD1-CZ2 4.43Å; L59-W62 PolarHBondContact O-NE1 3.27Å; W62-S82 WeakPolarHBondContact O-CA 3.32Å; W62-L83 HydrophobicContact CB-CB 4.27Å; W62-L83 HydrophobicContact CB-CD1 4.4Å; W62-L83 PolarHBondContact N-O 3.48Å; W62-L83 PolarHBondContact O-N 3.43Å; W62-F85 HydrophobicContact CB-CE2 4.2Å; W62-F85 AromaticContact CD1-CE2 3.46Å; W62-F85 VanDerWaalsContact CD1-CE2 3.46Å; W62-F85 HydrophobicContact CD2-CE2 4.03Å; W62-F85 HydrophobicContact CD2-CZ 4.29Å; W62-F85 AromaticContact CG-CE2 3.67Å; W62-F85 HydrophobicContact CG-CE2 3.67Å; W62-F85 HydrophobicContact CG-CZ 4.32Å; W62-F85 AromaticContact NE1-CE2 3.68Å; W62-V128 HydrophobicContact CE3-CG1 4.15Å; W62-V128 HydrophobicContact CE3-CG2 4.17Å; W62-V128 HydrophobicContact CH2-CG2 4.18Å; W62-V128 HydrophobicContact CZ3-CB 4.2Å; W62-V128 HydrophobicContact CZ3-CG1 3.98Å; W62-V128 HydrophobicContact CZ3-CG2 3.86Å
63	V	98.7	Very high	96.5	Very high	42 Å²	42	50.4 Å²	50.4	26%	0.255	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.4	166.6	179.5	0	0	0	0	108.5	A52 F53 L81	A52-V63 VanDerWaalsContact CA-O 3.28Å; A52-V63 WeakPolarHBondContact CA-O 3.31Å; F53-V63 PolarHBondContact N-O 3.2Å; F53-V63 PolarHBondContact O-N 2.95Å; V63-L81 CarbonylContact C-O 3.56Å; V63-L81 WeakPolarHBondContact CA-O 3.43Å
64	G	98.5	Very high	96.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	153.3	172.2	0	0	0	0	0	111.8	S51 K80 L81	S51-G64 CarbonylContact O-C 3.54Å; S51-G64 VanDerWaalsContact O-CA 3.25Å; S51-G64 WeakPolarHBondContact O-CA 3.43Å; G64-K80 CarbonylContact O-C 3.48Å; G64-K80 VanDerWaalsContact O-CA 3.29Å; G64-K80 WeakPolarHBondContact O-CA 3.45Å; G64-L81 PolarHBondContact N-O 2.92Å; G64-L81 PolarHBondContact O-N 3.06Å
65	T	98.6	Very high	96.6	Very high	30 Å²	30	46.3 Å²	46.3	18%	0.184	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.4	167.4	-61	0	0	0	0	109.3	I50 S51 Y79	I50-T65 WeakPolarHBondContact CA-O 3.42Å; S51-T65 PolarHBondContact N-O 2.75Å; S51-T65 PolarHBondContact O-N 3.49Å; T65-Y79 VanDerWaalsContact CA-O 3.3Å; T65-Y79 WeakPolarHBondContact CA-O 3.41Å
66	I	98.8	Very high	96.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.1	173.9	-64.2	175.3	0	0	0	108.7	G49 I50 R78 Y79 L81 L132 I135 Q136 L139	G49-I66 CarbonylContact O-C 3.47Å; G49-I66 WeakPolarHBondContact O-CA 3.44Å; I50-I66 HydrophobicContact CG2-CG1 4.16Å; I66-R78 CarbonylContact O-C 3.45Å; I66-R78 WeakPolarHBondContact O-CA 3.42Å; I66-Y79 PolarHBondContact N-O 2.7Å; I66-Y79 PolarHBondContact O-N 2.94Å; I66-L81 HydrophobicContact CB-CD1 4.11Å; I66-L81 HydrophobicContact CD1-CD1 3.68Å; I66-L81 HydrophobicContact CD1-CD2 4.2Å; I66-L81 HydrophobicContact CG1-CD1 3.7Å; I66-L132 HydrophobicContact CD1-CB 4.46Å; I66-L132 HydrophobicContact CD1-CD2 3.98Å; I66-L132 WeakPolarHBondContact CD1-O 3.35Å; I66-L132 HydrophobicContact CG1-CD2 4.06Å; I66-I135 HydrophobicContact CD1-CB 3.72Å; I66-I135 HydrophobicContact CD1-CG2 3.58Å; I66-Q136 HydrophobicContact CG2-CB 3.76Å; I66-Q136 HydrophobicContact CG2-CG 3.89Å; I66-L139 HydrophobicContact CG2-CD1 4.03Å
67	H	98.6	Very high	97.1	Very high	87 Å²	87	44.5 Å²	44.5	40%	0.403	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.9	166.9	-70.5	-122.6	0	0	0	108.8	G49 L77 Q136	G49-H67 PolarHBondContact O-N 3.47Å; H67-L77 WeakPolarHBondContact CA-O 3.38Å; H67-Q136 PolarHBondContact O-NE2 2.87Å
68	G	98.4	Very high	97.7	Very high	11 Å²	11	46.1 Å²	46.1	11%	0.113	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-60.5	139.3	169.7	0	0	0	0	0	110.7	Y74 L77	G68-Y74 WeakPolarHBondContact CA-O 3.28Å; G68-L77 PolarHBondContact N-O 2.74Å
69	A	98.2	Very high	98	Very high	40 Å²	40	42.9 Å²	42.9	33%	0.331	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-68.4	149.2	-179.5	0	0	0	0	0	111.2	T72	A69-T72 HydrophobicContact CB-CG2 3.97Å; A69-T72 WeakPolarHBondContact O-CB 3.45Å; A69-T72 WeakPolarHBondContact O-CG2 3.34Å; A69-T72 PolarHBondContact O-N 3.23Å; A69-T72 PolarHBondContact O-OG1 2.87Å
70	A	97.4	Very high	98.2	Very high	83 Å²	83	47.4 Å²	47.4	69%	0.686	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	142.1	175.3	0	0	0	0	0	111.1	T72	A70-T72 VanDerWaalsContact C-N 3.26Å; A70-T72 PolarHBondContact O-N 2.96Å
71	G	96.6	Very high	98.2	Very high	74 Å²	74	45.4 Å²	45.4	76%	0.763	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-0.1	-176.1	0	0	0	0	0	114.7	E75	G71-E75 PolarHBondContact N-OE2 3.4Å
72	T	98.3	Very high	98.3	Very high	33 Å²	33	43.1 Å²	43.1	20%	0.202	25%	0.251	C	S	.	.	S	Bend	trans	-97.6	165.8	174.3	74.4	0	0	0	0	111.5	A69 A70 Y74 E75	A69-T72 HydrophobicContact CB-CG2 3.97Å; A69-T72 WeakPolarHBondContact O-CB 3.45Å; A69-T72 WeakPolarHBondContact O-CG2 3.34Å; A69-T72 PolarHBondContact O-N 3.23Å; A69-T72 PolarHBondContact O-OG1 2.87Å; A70-T72 VanDerWaalsContact C-N 3.26Å; A70-T72 PolarHBondContact O-N 2.96Å; T72-Y74 PolarHBondContact O-N 3.28Å; T72-Y74 PolarHBondContact OG1-N 3.05Å; T72-E75 VanDerWaalsContact O-CB 3.31Å; T72-E75 WeakPolarHBondContact O-CB 3.4Å; T72-E75 PolarHBondContact O-N 3.33Å; T72-E75 PolarHBondContact OG1-N 3.43Å
73	V	98.4	Very high	98.3	Very high	17 Å²	17	43.1 Å²	43.1	10%	0.103	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.1	172.2	-61.4	0	0	0	0	113	W156 P159 F162 K163 L166	V73-W156 HydrophobicContact CG2-CH2 3.77Å; V73-W156 HydrophobicContact CG2-CZ3 3.52Å; V73-P159 HydrophobicContact CG1-CB 4.17Å; V73-F162 HydrophobicContact CB-CD1 4.15Å; V73-F162 HydrophobicContact CG2-CD1 3.62Å; V73-F162 HydrophobicContact CG2-CE1 3.78Å; V73-K163 HydrophobicContact CB-CB 4.07Å; V73-K163 HydrophobicContact CB-CG 4.39Å; V73-K163 HydrophobicContact CG1-CB 4.08Å; V73-L166 HydrophobicContact CG2-CD2 4.38Å; V73-L166 WeakPolarHBondContact O-CD2 3.28Å
74	Y	98.6	Very high	98.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-0.4	177.3	-63.1	-88	0	0	0	113.4	G68 T72 D76 L77 Y79 Y103 H104 L139 W156 F162 L166	G68-Y74 WeakPolarHBondContact CA-O 3.28Å; T72-Y74 PolarHBondContact O-N 3.28Å; T72-Y74 PolarHBondContact OG1-N 3.05Å; Y74-D76 PolarHBondContact O-N 3.05Å; Y74-L77 HydrophobicContact CD1-CD1 4.49Å; Y74-L77 VanDerWaalsContact O-CB 3.31Å; Y74-L77 WeakPolarHBondContact O-CB 3.36Å; Y74-L77 PolarHBondContact O-N 2.77Å; Y74-Y79 AromaticContact CD1-CE2 3.97Å; Y74-Y79 HydrophobicContact CD1-CE2 3.97Å; Y74-Y103 PolarHBondContact OH-O 3.49Å; Y74-H104 AromaticContact CZ-CD2 3.68Å; Y74-H104 PolarHBondContact OH-CD2 2.93Å; Y74-L139 HydrophobicContact CD1-CD2 4.24Å; Y74-L139 HydrophobicContact CD2-CB 3.88Å; Y74-L139 WeakPolarHBondContact CD2-O 3.25Å; Y74-L139 HydrophobicContact CE1-CD2 4.14Å; Y74-L139 HydrophobicContact CE2-CB 4.23Å; Y74-L139 WeakPolarHBondContact CE2-O 3.23Å; Y74-L139 HydrophobicContact CG-CB 4.17Å; Y74-L139 HydrophobicContact CG-CD2 4.5Å; Y74-W156 HydrophobicContact CE2-CH2 4.02Å; Y74-W156 AromaticContact CE2-CZ3 3.78Å; Y74-W156 HydrophobicContact CE2-CZ3 3.78Å; Y74-F162 HydrophobicContact CE2-CE1 4.2Å; Y74-F162 AromaticContact CZ-CE1 3.86Å; Y74-F162 WeakPolarHBondContact OH-CE1 3.49Å; Y74-F162 WeakPolarHBondContact OH-CZ 3.43Å; Y74-L166 HydrophobicContact CD1-CD1 4.27Å; Y74-L166 HydrophobicContact CD1-CD2 3.56Å; Y74-L166 HydrophobicContact CE1-CD1 3.85Å; Y74-L166 HydrophobicContact CE1-CD2 3.62Å; Y74-L166 HydrophobicContact CE1-CG 4.4Å; Y74-L166 HydrophobicContact CG-CD2 4.06Å
75	E	98.3	Very high	98.3	Very high	60 Å²	60	46 Å²	46	28%	0.28	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-49.6	141.7	173.3	-176.3	171.3	-170.9	0	0	110.8	G71 T72 L77	G71-E75 PolarHBondContact N-OE2 3.4Å; T72-E75 VanDerWaalsContact O-CB 3.31Å; T72-E75 WeakPolarHBondContact O-CB 3.4Å; T72-E75 PolarHBondContact O-N 3.33Å; T72-E75 PolarHBondContact OG1-N 3.43Å; E75-L77 PolarHBondContact O-N 2.98Å; E75-L77 VanDerWaalsContact O-N 3.13Å
76	D	97.1	Very high	98.2	Very high	139 Å²	139	46.6 Å²	46.6	74%	0.743	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	-4.5	-174.2	-51.7	-47.7	0	0	0	116.2	Y74	Y74-D76 PolarHBondContact O-N 3.05Å
77	L	98.3	Very high	97.9	Very high	13 Å²	13	52.4 Å²	52.4	7%	0.068	31%	0.306	C	S	.	.			trans	-92.9	147.1	173.7	-50.5	-175	0	0	0	111	H67 G68 Y74 E75 Y79 L166 Y170	H67-L77 WeakPolarHBondContact CA-O 3.38Å; G68-L77 PolarHBondContact N-O 2.74Å; Y74-L77 HydrophobicContact CD1-CD1 4.49Å; Y74-L77 VanDerWaalsContact O-CB 3.31Å; Y74-L77 WeakPolarHBondContact O-CB 3.36Å; Y74-L77 PolarHBondContact O-N 2.77Å; E75-L77 PolarHBondContact O-N 2.98Å; E75-L77 VanDerWaalsContact O-N 3.13Å; L77-Y79 HydrophobicContact CB-CE2 3.93Å; L77-L166 HydrophobicContact CD1-CD1 4.09Å; L77-L166 HydrophobicContact CD1-CD2 3.64Å; L77-L166 HydrophobicContact CD1-CG 3.64Å; L77-Y170 HydrophobicContact CB-CE2 4.4Å; L77-Y170 HydrophobicContact CD1-CD2 4.42Å; L77-Y170 HydrophobicContact CD1-CG 4.38Å; L77-Y170 HydrophobicContact CD2-CD1 3.8Å; L77-Y170 HydrophobicContact CD2-CE1 4Å; L77-Y170 HydrophobicContact CD2-CG 4.11Å
78	R	97.9	Very high	97.7	Very high	152 Å²	152	49.3 Å²	49.3	57%	0.574	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.3	176.2	72.6	-179	-166	-141.5	-1	111.4	I66 Y170	I66-R78 CarbonylContact O-C 3.45Å; I66-R78 WeakPolarHBondContact O-CA 3.42Å; R78-Y170 PolarHBondContact N-OH 3.45Å; R78-Y170 WeakPolarHBondContact O-CE2 3.31Å; R78-Y170 PolarHBondContact O-OH 3.26Å
79	Y	98.6	Very high	97.7	Very high	1 Å²	1	49 Å²	49	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.2	-178	-64	-85.8	0	0	0	110.8	T65 I66 Y74 L77 F98 T100 P101 C102 L139 Y170	T65-Y79 VanDerWaalsContact CA-O 3.3Å; T65-Y79 WeakPolarHBondContact CA-O 3.41Å; I66-Y79 PolarHBondContact N-O 2.7Å; I66-Y79 PolarHBondContact O-N 2.94Å; Y74-Y79 AromaticContact CD1-CE2 3.97Å; Y74-Y79 HydrophobicContact CD1-CE2 3.97Å; L77-Y79 HydrophobicContact CB-CE2 3.93Å; Y79-F98 HydrophobicContact CD1-CD1 4.12Å; Y79-F98 HydrophobicContact CD1-CE1 4.17Å; Y79-F98 HydrophobicContact CD2-CE1 4.49Å; Y79-F98 HydrophobicContact CG-CD1 4.13Å; Y79-F98 AromaticContact CG-CE1 3.83Å; Y79-F98 HydrophobicContact CG-CE1 3.83Å; Y79-T100 HydrophobicContact CD1-CG2 3.72Å; Y79-T100 HydrophobicContact CE1-CG2 4.22Å; Y79-P101 WeakPolarHBondContact CE1-O 3.27Å; Y79-C102 HydrophobicContact CD1-CB 4.03Å; Y79-C102 HydrophobicContact CE1-CB 3.94Å; Y79-L139 HydrophobicContact CD2-CD1 4.44Å; Y79-Y170 HydrophobicContact CD1-CE2 4.32Å; Y79-Y170 AromaticContact CE1-CD2 3.91Å; Y79-Y170 HydrophobicContact CE1-CD2 3.91Å; Y79-Y170 AromaticContact CE1-CE2 3.78Å; Y79-Y170 HydrophobicContact CE1-CE2 3.78Å; Y79-Y170 AromaticContact CZ-CE2 3.95Å
80	K	98.5	Very high	97.7	Very high	113 Å²	113	48.1 Å²	48.1	49%	0.491	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	142.8	167.3	-67.7	-174.5	178.6	-179.2	0	110.2	G64 L99 T100	G64-K80 CarbonylContact O-C 3.48Å; G64-K80 VanDerWaalsContact O-CA 3.29Å; G64-K80 WeakPolarHBondContact O-CA 3.45Å; K80-L99 HydrophobicContact CB-CB 4.11Å; K80-L99 HydrophobicContact CB-CD1 4.42Å; K80-L99 PolarHBondContact O-N 3.02Å; K80-T100 PolarHBondContact N-OG1 3.23Å; K80-T100 PolarHBondContact O-N 2.99Å
81	L	98.8	Very high	97.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.5	176.1	-57.4	95	0	0	0	110.2	V63 G64 I66 L83 V96 K97 F98 I113 I135	V63-L81 CarbonylContact C-O 3.56Å; V63-L81 WeakPolarHBondContact CA-O 3.43Å; G64-L81 PolarHBondContact N-O 2.92Å; G64-L81 PolarHBondContact O-N 3.06Å; I66-L81 HydrophobicContact CB-CD1 4.11Å; I66-L81 HydrophobicContact CD1-CD1 3.68Å; I66-L81 HydrophobicContact CD1-CD2 4.2Å; I66-L81 HydrophobicContact CG1-CD1 3.7Å; L81-L83 HydrophobicContact CB-CD1 4.49Å; L81-V96 HydrophobicContact CD2-CG1 4.06Å; L81-K97 CarbonylContact C-O 3.55Å; L81-K97 WeakPolarHBondContact CA-O 3.48Å; L81-K97 WeakPolarHBondContact CB-O 3.43Å; L81-F98 HydrophobicContact CD1-CE1 4.4Å; L81-F98 HydrophobicContact CD2-CD1 4.18Å; L81-F98 HydrophobicContact CD2-CD2 4.4Å; L81-F98 HydrophobicContact CD2-CE1 4.02Å; L81-F98 HydrophobicContact CD2-CE2 4.24Å; L81-F98 HydrophobicContact CD2-CG 4.37Å; L81-F98 HydrophobicContact CD2-CZ 4.05Å; L81-F98 HydrophobicContact CG-CD1 4.05Å; L81-F98 HydrophobicContact CG-CE1 4.16Å; L81-F98 HydrophobicContact CG-CG 4.5Å; L81-I113 HydrophobicContact CD2-CD1 4.13Å; L81-I135 HydrophobicContact CD2-CD1 3.96Å; L81-I135 HydrophobicContact CD2-CG2 4.11Å
82	S	98.7	Very high	97.8	Very high	11 Å²	11	54.1 Å²	54.1	8%	0.077	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.8	164.8	56	0	0	0	0	109.5	W62 V96 K97	W62-S82 WeakPolarHBondContact O-CA 3.32Å; S82-V96 VanDerWaalsContact O-CA 3.31Å; S82-V96 WeakPolarHBondContact O-CA 3.23Å; S82-K97 PolarHBondContact N-O 2.9Å; S82-K97 PolarHBondContact O-N 3.45Å
83	L	98.8	Very high	97.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.8	170.1	-56.4	84.7	0	0	0	108.3	K61 W62 L81 F85 T95 V96 V128 I131	K61-L83 CarbonylContact C-O 3.29Å; K61-L83 WeakPolarHBondContact CA-O 3.38Å; W62-L83 HydrophobicContact CB-CB 4.27Å; W62-L83 HydrophobicContact CB-CD1 4.4Å; W62-L83 PolarHBondContact N-O 3.48Å; W62-L83 PolarHBondContact O-N 3.43Å; L81-L83 HydrophobicContact CB-CD1 4.49Å; L83-F85 HydrophobicContact CB-CE2 4.12Å; L83-F85 HydrophobicContact CB-CZ 4.13Å; L83-T95 WeakPolarHBondContact CA-O 3.34Å; L83-V96 HydrophobicContact CB-CG2 4.48Å; L83-V96 HydrophobicContact CD2-CG2 4.3Å; L83-V96 HydrophobicContact CG-CG1 4.21Å; L83-V96 HydrophobicContact CG-CG2 4.12Å; L83-V128 HydrophobicContact CD2-CG1 4.05Å; L83-V128 HydrophobicContact CD2-CG2 4.46Å; L83-I131 HydrophobicContact CD2-CG2 4.49Å
84	E	98.6	Very high	97.8	Very high	91 Å²	91	53.1 Å²	53.1	43%	0.425	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.3	179.3	-69.5	-178.3	-172.4	0	0	110	F60 K61 P94 T95	F60-E84 WeakPolarHBondContact O-CA 3.37Å; K61-E84 HydrophobicContact CD-CG 4.31Å; K61-E84 HydrophobicContact CG-CG 4Å; E84-P94 CarbonylContact O-C 3.53Å; E84-P94 VanDerWaalsContact O-CA 3.28Å; E84-P94 WeakPolarHBondContact O-CA 3.5Å; E84-P94 WeakPolarHBondContact O-CB 3.31Å; E84-T95 PolarHBondContact N-O 3.03Å; E84-T95 PolarHBondContact O-N 2.83Å
85	F	98.4	Very high	97.8	Very high	12 Å²	12	56.6 Å²	56.6	5%	0.053	29%	0.293	C	S	.	.			trans	-95.3	120.1	-174.2	-57.9	-89.2	0	0	0	109.9	L35 F60 W62 L83 Y89 P94 V128	L35-F85 HydrophobicContact CD1-CB 4.22Å; L35-F85 HydrophobicContact CD1-CD2 4.31Å; L35-F85 HydrophobicContact CD1-CG 4.12Å; L35-F85 HydrophobicContact CD2-CD1 3.44Å; L35-F85 VanDerWaalsContact CD2-CD1 3.44Å; L35-F85 HydrophobicContact CD2-CD2 4.08Å; L35-F85 HydrophobicContact CD2-CE1 3.5Å; L35-F85 HydrophobicContact CD2-CE2 4.17Å; L35-F85 HydrophobicContact CD2-CG 3.75Å; L35-F85 HydrophobicContact CD2-CZ 3.88Å; F60-F85 HydrophobicContact CB-CB 4.48Å; F60-F85 HydrophobicContact CD1-CB 4.26Å; F60-F85 WeakPolarHBondContact O-CD2 3.44Å; F60-F85 PolarHBondContact O-N 3.47Å; W62-F85 HydrophobicContact CB-CE2 4.2Å; W62-F85 AromaticContact CD1-CE2 3.46Å; W62-F85 VanDerWaalsContact CD1-CE2 3.46Å; W62-F85 HydrophobicContact CD2-CE2 4.03Å; W62-F85 HydrophobicContact CD2-CZ 4.29Å; W62-F85 AromaticContact CG-CE2 3.67Å; W62-F85 HydrophobicContact CG-CE2 3.67Å; W62-F85 HydrophobicContact CG-CZ 4.32Å; W62-F85 AromaticContact NE1-CE2 3.68Å; L83-F85 HydrophobicContact CB-CE2 4.12Å; L83-F85 HydrophobicContact CB-CZ 4.13Å; F85-Y89 HydrophobicContact CB-CG 4.44Å; F85-Y89 HydrophobicContact CD1-CD1 4.26Å; F85-Y89 AromaticContact CD1-CD2 3.88Å; F85-Y89 HydrophobicContact CD1-CD2 3.88Å; F85-Y89 HydrophobicContact CD1-CE1 4.24Å; F85-Y89 AromaticContact CD1-CE2 3.88Å; F85-Y89 HydrophobicContact CD1-CE2 3.88Å; F85-Y89 HydrophobicContact CD1-CG 4.1Å; F85-Y89 HydrophobicContact CE1-CE2 4.28Å; F85-P94 HydrophobicContact CD1-CB 3.81Å; F85-P94 HydrophobicContact CD1-CG 4.47Å; F85-P94 HydrophobicContact CE1-CB 4.04Å; F85-P94 HydrophobicContact CE1-CG 4.38Å; F85-P94 HydrophobicContact CG-CB 4.43Å; F85-V128 HydrophobicContact CE1-CG2 3.88Å; F85-V128 HydrophobicContact CZ-CG2 3.55Å
86	P	97.3	Very high	97.8	Very high	42 Å²	42	54.2 Å²	54.2	27%	0.273	28%	0.282	S	S	.	.			trans	-71.7	164.1	179.1	31.2	-37	0	0	0	111.4	G88 Y89 N92 A93	P86-G88 PolarHBondContact O-N 3.18Å; P86-G88 VanDerWaalsContact O-N 3.13Å; P86-Y89 VanDerWaalsContact O-CB 3.27Å; P86-Y89 WeakPolarHBondContact O-CB 3.35Å; P86-Y89 PolarHBondContact O-N 2.77Å; P86-N92 HydrophobicContact CG-CB 3.79Å; P86-A93 WeakPolarHBondContact CG-O 3.18Å
87	S	92.4	Very high	97.9	Very high	121 Å²	121	51.2 Å²	51.2	85%	0.846	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.5	175.8	55.6	0	0	0	0	113.9
88	G	95.1	Very high	97.9	Very high	23 Å²	23	51.1 Å²	51.1	24%	0.237	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	6.8	176.7	0	0	0	0	0	115.3	P86 Y91 N92	P86-G88 PolarHBondContact O-N 3.18Å; P86-G88 VanDerWaalsContact O-N 3.13Å; G88-Y91 PolarHBondContact O-N 2.85Å; G88-N92 PolarHBondContact O-N 3.21Å; G88-N92 VanDerWaalsContact O-N 3.14Å
89	Y	98.1	Very high	97.9	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.016	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	137.2	175.7	-172	-97.7	0	0	0	110.7	V31 R34 L35 E38 F85 P86 N92 P94 W122 Y126	V31-Y89 HydrophobicContact CG1-CD1 3.97Å; V31-Y89 HydrophobicContact CG1-CG 4.44Å; V31-Y89 VanDerWaalsContact CG2-O 3.25Å; V31-Y89 WeakPolarHBondContact CG2-O 3.42Å; R34-Y89 HydrophobicContact CG-CE1 3.96Å; R34-Y89 PolarHBondContact NH2-OH 3.08Å; L35-Y89 HydrophobicContact CD2-CD1 3.95Å; L35-Y89 HydrophobicContact CD2-CE1 3.66Å; L35-Y89 HydrophobicContact CG-CD1 4.34Å; L35-Y89 HydrophobicContact CG-CE1 4.36Å; E38-Y89 VanDerWaalsContact CD-OH 3.31Å; E38-Y89 PolarHBondContact OE1-OH 2.88Å; E38-Y89 PolarHBondContact OE2-OH 2.77Å; F85-Y89 HydrophobicContact CB-CG 4.44Å; F85-Y89 HydrophobicContact CD1-CD1 4.26Å; F85-Y89 AromaticContact CD1-CD2 3.88Å; F85-Y89 HydrophobicContact CD1-CD2 3.88Å; F85-Y89 HydrophobicContact CD1-CE1 4.24Å; F85-Y89 AromaticContact CD1-CE2 3.88Å; F85-Y89 HydrophobicContact CD1-CE2 3.88Å; F85-Y89 HydrophobicContact CD1-CG 4.1Å; F85-Y89 HydrophobicContact CE1-CE2 4.28Å; P86-Y89 VanDerWaalsContact O-CB 3.27Å; P86-Y89 WeakPolarHBondContact O-CB 3.35Å; P86-Y89 PolarHBondContact O-N 2.77Å; Y89-N92 WeakPolarHBondContact CD2-O 3.47Å; Y89-P94 HydrophobicContact CE2-CG 4.43Å; Y89-W122 HydrophobicContact CD2-CZ2 4.25Å; Y89-W122 AromaticContact CE2-CH2 3.74Å; Y89-W122 HydrophobicContact CE2-CH2 3.74Å; Y89-W122 AromaticContact CE2-CZ2 3.57Å; Y89-W122 HydrophobicContact CE2-CZ2 3.57Å; Y89-Y126 PolarHBondContact OH-O 2.81Å
90	P	97.9	Very high	97.9	Very high	22 Å²	22	48.8 Å²	48.8	14%	0.143	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	cis	-93.3	6.7	8.3	37.8	-37.2	0	0	0	115.4	W122 A124	P90-W122 PolarHBondContact O-NE1 2.9Å; P90-A124 HydrophobicContact CB-CB 4.1Å; P90-A124 HydrophobicContact CG-CB 4.11Å; P90-A124 VanDerWaalsContact O-CA 3.31Å; P90-A124 WeakPolarHBondContact O-CA 3.36Å; P90-A124 WeakPolarHBondContact O-CB 3.12Å
91	Y	97.7	Very high	97.8	Very high	191 Å²	191	45.4 Å²	45.4	75%	0.749	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-31	179.8	-60.1	-71.5	0	0	0	112.5	G88 A124	G88-Y91 PolarHBondContact O-N 2.85Å; Y91-A124 HydrophobicContact CD1-CB 4.3Å
92	N	97.9	Very high	97.8	Very high	92 Å²	92	46 Å²	46	49%	0.492	26%	0.255	S	S	.	.	S	Bend	trans	-100.5	136.8	170	-62.6	-25	0	0	0	110.1	P86 G88 Y89	P86-N92 HydrophobicContact CG-CB 3.79Å; G88-N92 PolarHBondContact O-N 3.21Å; G88-N92 VanDerWaalsContact O-N 3.14Å; Y89-N92 WeakPolarHBondContact CD2-O 3.47Å
93	A	98.4	Very high	97.8	Very high	25 Å²	25	46.6 Å²	46.6	21%	0.207	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-61.3	148	176.9	0	0	0	0	0	111.9	P86 W122	P86-A93 WeakPolarHBondContact CG-O 3.18Å; A93-W122 HydrophobicContact CB-CB 3.95Å; A93-W122 HydrophobicContact CB-CD2 3.58Å; A93-W122 HydrophobicContact CB-CE3 3.94Å; A93-W122 HydrophobicContact CB-CG 3.56Å
94	P	98.6	Very high	97.8	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.026	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-70.4	152	169	31.3	-32.6	0	0	0	110.6	E84 F85 Y89 V96 W122 I131	E84-P94 CarbonylContact O-C 3.53Å; E84-P94 VanDerWaalsContact O-CA 3.28Å; E84-P94 WeakPolarHBondContact O-CA 3.5Å; E84-P94 WeakPolarHBondContact O-CB 3.31Å; F85-P94 HydrophobicContact CD1-CB 3.81Å; F85-P94 HydrophobicContact CD1-CG 4.47Å; F85-P94 HydrophobicContact CE1-CB 4.04Å; F85-P94 HydrophobicContact CE1-CG 4.38Å; F85-P94 HydrophobicContact CG-CB 4.43Å; Y89-P94 HydrophobicContact CE2-CG 4.43Å; P94-V96 HydrophobicContact CB-CG2 4.47Å; P94-V96 HydrophobicContact CG-CG2 4.23Å; P94-W122 HydrophobicContact CG-CH2 4.48Å; P94-I131 HydrophobicContact CG-CD1 3.47Å; P94-I131 VanDerWaalsContact CG-CD1 3.47Å
95	T	98.7	Very high	97.8	Very high	73 Å²	73	42.3 Å²	42.3	45%	0.448	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121.4	168.3	-62.4	0	0	0	0	108.7	L83 E84 K97	L83-T95 WeakPolarHBondContact CA-O 3.34Å; E84-T95 PolarHBondContact N-O 3.03Å; E84-T95 PolarHBondContact O-N 2.83Å; T95-K97 HydrophobicContact CG2-CG 4.33Å
96	V	98.8	Very high	97.8	Very high	10 Å²	10	41.7 Å²	41.7	6%	0.061	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.3	-179.9	-173.4	0	0	0	0	110	L81 S82 L83 P94 I113 L118 I131 I135	L81-V96 HydrophobicContact CD2-CG1 4.06Å; S82-V96 VanDerWaalsContact O-CA 3.31Å; S82-V96 WeakPolarHBondContact O-CA 3.23Å; L83-V96 HydrophobicContact CB-CG2 4.48Å; L83-V96 HydrophobicContact CD2-CG2 4.3Å; L83-V96 HydrophobicContact CG-CG1 4.21Å; L83-V96 HydrophobicContact CG-CG2 4.12Å; P94-V96 HydrophobicContact CB-CG2 4.47Å; P94-V96 HydrophobicContact CG-CG2 4.23Å; V96-I113 HydrophobicContact CG1-CD1 4.15Å; V96-L118 HydrophobicContact CB-CD1 3.97Å; V96-L118 HydrophobicContact CB-CD2 4.48Å; V96-L118 HydrophobicContact CG2-CD1 4.31Å; V96-L118 HydrophobicContact CG2-CD2 3.92Å; V96-I131 HydrophobicContact CG2-CG2 4.06Å; V96-I135 HydrophobicContact CG1-CD1 3.72Å
97	K	98.8	Very high	97.9	Very high	75 Å²	75	39.8 Å²	39.8	33%	0.326	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.2	179.9	-58.7	-172.2	-176.4	-164.4	0	111.6	L81 S82 T95 G111 N112	L81-K97 CarbonylContact C-O 3.55Å; L81-K97 WeakPolarHBondContact CA-O 3.48Å; L81-K97 WeakPolarHBondContact CB-O 3.43Å; S82-K97 PolarHBondContact N-O 2.9Å; S82-K97 PolarHBondContact O-N 3.45Å; T95-K97 HydrophobicContact CG2-CG 4.33Å; K97-G111 CarbonylContact C-O 3.53Å; K97-G111 VanDerWaalsContact CA-O 3.27Å; K97-G111 WeakPolarHBondContact CA-O 2.93Å; K97-N112 WeakPolarHBondContact CD-OD1 3.46Å; K97-N112 WeakPolarHBondContact CE-OD1 3.36Å; K97-N112 PolarHBondContact NZ-OD1 3.28Å; K97-N112 VanDerWaalsContact NZ-OD1 3.15Å
98	F	98.7	Very high	98.2	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.048	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	127.3	165.9	-80.2	-83.9	0	0	0	110.4	Y79 L81 C102 V107 G111 I113 I135 L139	Y79-F98 HydrophobicContact CD1-CD1 4.12Å; Y79-F98 HydrophobicContact CD1-CE1 4.17Å; Y79-F98 HydrophobicContact CD2-CE1 4.49Å; Y79-F98 HydrophobicContact CG-CD1 4.13Å; Y79-F98 AromaticContact CG-CE1 3.83Å; Y79-F98 HydrophobicContact CG-CE1 3.83Å; L81-F98 HydrophobicContact CD1-CE1 4.4Å; L81-F98 HydrophobicContact CD2-CD1 4.18Å; L81-F98 HydrophobicContact CD2-CD2 4.4Å; L81-F98 HydrophobicContact CD2-CE1 4.02Å; L81-F98 HydrophobicContact CD2-CE2 4.24Å; L81-F98 HydrophobicContact CD2-CG 4.37Å; L81-F98 HydrophobicContact CD2-CZ 4.05Å; L81-F98 HydrophobicContact CG-CD1 4.05Å; L81-F98 HydrophobicContact CG-CE1 4.16Å; L81-F98 HydrophobicContact CG-CG 4.5Å; F98-C102 HydrophobicContact CB-CB 4.22Å; F98-C102 HydrophobicContact CD1-CB 3.75Å; F98-C102 HydrophobicContact CD2-CB 4.13Å; F98-C102 HydrophobicContact CE1-CB 4.09Å; F98-C102 HydrophobicContact CE2-CB 4.45Å; F98-C102 HydrophobicContact CG-CB 3.77Å; F98-C102 HydrophobicContact CZ-CB 4.43Å; F98-V107 HydrophobicContact CD2-CB 4.48Å; F98-V107 HydrophobicContact CD2-CG1 3.75Å; F98-V107 HydrophobicContact CD2-CG2 3.82Å; F98-V107 HydrophobicContact CE2-CG1 4.39Å; F98-V107 HydrophobicContact CE2-CG2 3.59Å; F98-V107 HydrophobicContact CG-CG1 4.43Å; F98-G111 PolarHBondContact N-O 2.85Å; F98-I113 HydrophobicContact CD2-CD1 3.72Å; F98-I113 HydrophobicContact CD2-CG1 3.71Å; F98-I113 HydrophobicContact CE2-CD1 3.56Å; F98-I113 HydrophobicContact CE2-CG1 3.79Å; F98-I135 HydrophobicContact CE2-CG2 4.15Å; F98-I135 HydrophobicContact CZ-CG2 3.77Å; F98-L139 HydrophobicContact CZ-CD2 4.27Å
99	L	97.8	Very high	98.2	Very high	89 Å²	89	41.6 Å²	41.6	47%	0.466	22%	0.22	S	C	.	.	S	Bend	trans	-89.9	-41.8	169.1	-63.9	174.2	0	0	0	110.5	K80	K80-L99 HydrophobicContact CB-CB 4.11Å; K80-L99 HydrophobicContact CB-CD1 4.42Å; K80-L99 PolarHBondContact O-N 3.02Å
100	T	97.6	Very high	98.2	Very high	16 Å²	16	48 Å²	48	10%	0.098	25%	0.25	C	S	.	.	S	Bend	trans	-74.2	124.4	168.2	-56.8	0	0	0	0	108.2	Y79 K80 C102 Y170	Y79-T100 HydrophobicContact CD1-CG2 3.72Å; Y79-T100 HydrophobicContact CE1-CG2 4.22Å; K80-T100 PolarHBondContact N-OG1 3.23Å; K80-T100 PolarHBondContact O-N 2.99Å; T100-C102 PolarHBondContact O-N 3.13Å; T100-Y170 HydrophobicContact CG2-CE2 3.96Å
101	P	97.6	Very high	98.3	Very high	42 Å²	42	47.3 Å²	47.3	27%	0.273	25%	0.246	S	C	.	.			trans	-51.8	128.2	176.8	-27.8	35.7	0	0	0	111.3	Y79	Y79-P101 WeakPolarHBondContact CE1-O 3.27Å
102	C	98.3	Very high	98.3	Very high	13 Å²	13	40.7 Å²	40.7	9%	0.088	22%	0.224	C	C	.	.			trans	-121.4	110.6	-173.3	-172.3	0	0	0	0	109.8	Y79 F98 T100 H104 V107	Y79-C102 HydrophobicContact CD1-CB 4.03Å; Y79-C102 HydrophobicContact CE1-CB 3.94Å; F98-C102 HydrophobicContact CB-CB 4.22Å; F98-C102 HydrophobicContact CD1-CB 3.75Å; F98-C102 HydrophobicContact CD2-CB 4.13Å; F98-C102 HydrophobicContact CE1-CB 4.09Å; F98-C102 HydrophobicContact CE2-CB 4.45Å; F98-C102 HydrophobicContact CG-CB 3.77Å; F98-C102 HydrophobicContact CZ-CB 4.43Å; T100-C102 PolarHBondContact O-N 3.13Å; C102-H104 PolarHBondContact O-N 2.98Å; C102-V107 HydrophobicContact CB-CG1 4.15Å
103	Y	98.5	Very high	98.3	Very high	22 Å²	22	36.9 Å²	36.9	9%	0.086	20%	0.204	C	C	.	.			trans	-79.8	98.1	171.9	178.5	-103.3	0	0	0	109.2	Y74 H151 A152 L155 F162 Y165 L166	Y74-Y103 PolarHBondContact OH-O 3.49Å; Y103-H151 AromaticContact CE2-ND1 3.59Å; Y103-H151 AromaticContact CZ-ND1 3.67Å; Y103-H151 PolarHBondContact OH-CE1 3.1Å; Y103-H151 VanDerWaalsContact OH-CE1 3.27Å; Y103-H151 PolarHBondContact OH-ND1 2.88Å; Y103-H151 PolarHBondContact OH-O 3.14Å; Y103-A152 HydrophobicContact CD1-CB 4.47Å; Y103-A152 HydrophobicContact CD2-CB 4.31Å; Y103-A152 HydrophobicContact CE1-CB 4Å; Y103-A152 HydrophobicContact CE2-CB 3.8Å; Y103-A152 VanDerWaalsContact OH-CA 3.28Å; Y103-A152 WeakPolarHBondContact OH-CA 3.4Å; Y103-A152 PolarHBondContact OH-N 3.18Å; Y103-L155 HydrophobicContact CE1-CD2 4.36Å; Y103-L155 WeakPolarHBondContact OH-CD2 3.44Å; Y103-F162 HydrophobicContact CD1-CE1 4.32Å; Y103-F162 HydrophobicContact CD1-CE2 4.04Å; Y103-F162 AromaticContact CD1-CZ 3.74Å; Y103-F162 HydrophobicContact CD1-CZ 3.74Å; Y103-F162 HydrophobicContact CE1-CD2 4.01Å; Y103-F162 HydrophobicContact CE1-CE1 4.39Å; Y103-F162 AromaticContact CE1-CE2 3.45Å; Y103-F162 HydrophobicContact CE1-CE2 3.45Å; Y103-F162 VanDerWaalsContact CE1-CE2 3.45Å; Y103-F162 AromaticContact CE1-CZ 3.67Å; Y103-F162 HydrophobicContact CE1-CZ 3.67Å; Y103-Y165 HydrophobicContact CD1-CD1 4.01Å; Y103-Y165 HydrophobicContact CD1-CE1 4.36Å; Y103-Y165 HydrophobicContact CD2-CD1 4.41Å; Y103-Y165 AromaticContact CD2-CE1 3.95Å; Y103-Y165 HydrophobicContact CD2-CE1 3.95Å; Y103-Y165 AromaticContact CE1-CD1 3.6Å; Y103-Y165 HydrophobicContact CE1-CD1 3.6Å; Y103-Y165 HydrophobicContact CE1-CE1 4.04Å; Y103-Y165 HydrophobicContact CE2-CD1 4.07Å; Y103-Y165 AromaticContact CE2-CE1 3.62Å; Y103-Y165 HydrophobicContact CE2-CE1 3.62Å; Y103-Y165 HydrophobicContact CG-CD1 4.38Å; Y103-Y165 HydrophobicContact CG-CE1 4.3Å; Y103-Y165 AromaticContact CZ-CD1 3.62Å; Y103-Y165 AromaticContact CZ-CE1 3.65Å; Y103-L166 HydrophobicContact CD1-CB 4.46Å; Y103-L166 HydrophobicContact CD1-CD1 4.3Å
104	H	98.8	Very high	98.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.205	C	C	.	.			trans	-150.7	144.8	-174.2	-178.9	-84.2	0	0	0	111.2	Y74 C102 N106 V107 L138 N149	Y74-H104 AromaticContact CZ-CD2 3.68Å; Y74-H104 PolarHBondContact OH-CD2 2.93Å; C102-H104 PolarHBondContact O-N 2.98Å; H104-N106 VanDerWaalsContact C-N 3.3Å; H104-N106 PolarHBondContact CE1-OD1 3.23Å; H104-N106 PolarHBondContact ND1-N 3.39Å; H104-N106 PolarHBondContact O-N 2.94Å; H104-V107 HydrophobicContact CB-CB 4.05Å; H104-V107 HydrophobicContact CB-CG2 3.84Å; H104-V107 PolarHBondContact O-N 3.15Å; H104-L138 PolarHBondContact NE2-O 3.35Å; H104-N149 WeakPolarHBondContact O-CB 3.35Å
105	P	98.8	Very high	98.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-40.4	-179.7	-29.1	36.5	0	0	0	114.8	P142 I144 P147 L148 N149 A152 A153	P105-P142 HydrophobicContact CB-CB 3.98Å; P105-P142 HydrophobicContact CG-CB 3.79Å; P105-P142 HydrophobicContact CG-CG 4.07Å; P105-I144 HydrophobicContact CB-CD1 3.81Å; P105-I144 HydrophobicContact CG-CD1 3.75Å; P105-P147 CarbonylContact O-C 3.55Å; P105-P147 WeakPolarHBondContact O-CA 3.36Å; P105-L148 PolarHBondContact O-N 3.14Å; P105-N149 PolarHBondContact O-N 3.08Å; P105-A152 HydrophobicContact CG-CB 4.13Å; P105-A153 HydrophobicContact CB-CB 4.07Å
106	N	98.8	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	16.9	-178	-52.9	108.1	0	0	0	114.9	H104 C114 L138 P142 N143 S146 L148	H104-N106 VanDerWaalsContact C-N 3.3Å; H104-N106 PolarHBondContact CE1-OD1 3.23Å; H104-N106 PolarHBondContact ND1-N 3.39Å; H104-N106 PolarHBondContact O-N 2.94Å; N106-C114 HydrophobicContact CB-CB 4.19Å; N106-C114 PolarHBondContact O-N 3.02Å; N106-L138 HydrophobicContact CB-CD2 4.16Å; N106-P142 WeakPolarHBondContact OD1-CA 3.4Å; N106-P142 WeakPolarHBondContact OD1-CB 3.44Å; N106-N143 PolarHBondContact ND2-O 2.88Å; N106-N143 PolarHBondContact OD1-N 3.34Å; N106-S146 PolarHBondContact ND2-O 3.41Å; N106-L148 WeakPolarHBondContact O-CD1 3.44Å
107	V	98.8	Very high	97.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-125	133.2	177.2	-175.3	0	0	0	0	109.8	F98 C102 H104 N112 I113	F98-V107 HydrophobicContact CD2-CB 4.48Å; F98-V107 HydrophobicContact CD2-CG1 3.75Å; F98-V107 HydrophobicContact CD2-CG2 3.82Å; F98-V107 HydrophobicContact CE2-CG1 4.39Å; F98-V107 HydrophobicContact CE2-CG2 3.59Å; F98-V107 HydrophobicContact CG-CG1 4.43Å; C102-V107 HydrophobicContact CB-CG1 4.15Å; H104-V107 HydrophobicContact CB-CB 4.05Å; H104-V107 HydrophobicContact CB-CG2 3.84Å; H104-V107 PolarHBondContact O-N 3.15Å; V107-N112 WeakPolarHBondContact CA-O 3.35Å; V107-I113 HydrophobicContact CG2-CG1 4.47Å
108	D	98.3	Very high	97.8	Very high	46 Å²	46	35.2 Å²	35.2	25%	0.246	19%	0.194	C	C	.	.			trans	-89.8	178	176.4	74.4	15.9	0	0	0	113.1	Q110 G111 N112 L148	D108-Q110 PolarHBondContact O-N 2.77Å; D108-Q110 WeakPolarHBondContact OD1-CA 3.45Å; D108-Q110 WeakPolarHBondContact OD1-CB 3.04Å; D108-Q110 PolarHBondContact OD1-N 3.34Å; D108-G111 PolarHBondContact O-N 3.01Å; D108-G111 PolarHBondContact OD1-N 2.94Å; D108-N112 PolarHBondContact N-O 2.88Å; D108-N112 VanDerWaalsContact N-O 3.1Å; D108-N112 PolarHBondContact OD1-N 2.78Å; D108-N112 PolarHBondContact OD1-ND2 3.2Å; D108-N112 WeakPolarHBondContact OD2-CB 3.37Å; D108-N112 PolarHBondContact OD2-ND2 3.5Å; D108-L148 HydrophobicContact CB-CB 4.18Å; D108-L148 HydrophobicContact CB-CD1 4.18Å
109	T	96.6	Very high	97.6	Very high	137 Å²	137	41.2 Å²	41.2	84%	0.84	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.8	-179.2	57.5	0	0	0	0	114.2
110	Q	97.7	Very high	97.4	Very high	139 Å²	139	43.2 Å²	43.2	65%	0.65	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	3.9	175.4	-57.6	-58.4	-58.5	0	0	111.9	D108 N112	D108-Q110 PolarHBondContact O-N 2.77Å; D108-Q110 WeakPolarHBondContact OD1-CA 3.45Å; D108-Q110 WeakPolarHBondContact OD1-CB 3.04Å; D108-Q110 PolarHBondContact OD1-N 3.34Å; Q110-N112 VanDerWaalsContact C-N 3.3Å; Q110-N112 PolarHBondContact O-N 2.86Å
111	G	98.3	Very high	97.4	Very high	6 Å²	6	48 Å²	48	6%	0.062	25%	0.25	C	S	.	.			trans	77.6	10.1	-179.1	0	0	0	0	0	114.2	K97 F98 D108	K97-G111 CarbonylContact C-O 3.53Å; K97-G111 VanDerWaalsContact CA-O 3.27Å; K97-G111 WeakPolarHBondContact CA-O 2.93Å; F98-G111 PolarHBondContact N-O 2.85Å; D108-G111 PolarHBondContact O-N 3.01Å; D108-G111 PolarHBondContact OD1-N 2.94Å
112	N	98.6	Very high	97.4	Very high	52 Å²	52	47.9 Å²	47.9	28%	0.278	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-70.8	142.8	174.8	-52.4	-60.1	0	0	0	109.9	K97 V107 D108 Q110	K97-N112 WeakPolarHBondContact CD-OD1 3.46Å; K97-N112 WeakPolarHBondContact CE-OD1 3.36Å; K97-N112 PolarHBondContact NZ-OD1 3.28Å; K97-N112 VanDerWaalsContact NZ-OD1 3.15Å; V107-N112 WeakPolarHBondContact CA-O 3.35Å; D108-N112 PolarHBondContact N-O 2.88Å; D108-N112 VanDerWaalsContact N-O 3.1Å; D108-N112 PolarHBondContact OD1-N 2.78Å; D108-N112 PolarHBondContact OD1-ND2 3.2Å; D108-N112 WeakPolarHBondContact OD2-CB 3.37Å; D108-N112 PolarHBondContact OD2-ND2 3.5Å; Q110-N112 VanDerWaalsContact C-N 3.3Å; Q110-N112 PolarHBondContact O-N 2.86Å
113	I	98.6	Very high	97.4	Very high	12 Å²	12	49.1 Å²	49.1	6%	0.062	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-109.8	130.8	-173.9	-50.1	173.9	0	0	0	109.3	L81 V96 F98 V107 L115 I135 L138	L81-I113 HydrophobicContact CD2-CD1 4.13Å; V96-I113 HydrophobicContact CG1-CD1 4.15Å; F98-I113 HydrophobicContact CD2-CD1 3.72Å; F98-I113 HydrophobicContact CD2-CG1 3.71Å; F98-I113 HydrophobicContact CE2-CD1 3.56Å; F98-I113 HydrophobicContact CE2-CG1 3.79Å; V107-I113 HydrophobicContact CG2-CG1 4.47Å; I113-L115 HydrophobicContact CG2-CB 3.94Å; I113-L115 PolarHBondContact O-N 2.95Å; I113-I135 HydrophobicContact CD1-CD1 3.78Å; I113-I135 HydrophobicContact CD1-CG1 4.23Å; I113-I135 HydrophobicContact CD1-CG2 4.37Å; I113-L138 HydrophobicContact CG2-CD2 3.81Å
114	C	97.6	Very high	97.4	Very high	35 Å²	35	49.5 Å²	49.5	24%	0.236	26%	0.261	C	S	.	.			trans	-87.4	95.4	165	-172.1	0	0	0	0	109.1	N106 L148	N106-C114 HydrophobicContact CB-CB 4.19Å; N106-C114 PolarHBondContact O-N 3.02Å; C114-L148 HydrophobicContact CB-CD1 3.81Å; C114-L148 HydrophobicContact CB-CD2 4.29Å; C114-L148 HydrophobicContact CB-CG 3.82Å
115	L	97	Very high	97.4	Very high	20 Å²	20	56.7 Å²	56.7	11%	0.105	30%	0.299	C	S	.	.			trans	-141	127.4	176.1	-179.1	62.6	0	0	0	108.7	I113 I117 L118 I135 L138	I113-L115 HydrophobicContact CG2-CB 3.94Å; I113-L115 PolarHBondContact O-N 2.95Å; L115-I117 HydrophobicContact CD1-CG1 4.4Å; L115-I117 HydrophobicContact CD2-CD1 4.16Å; L115-I117 HydrophobicContact CD2-CG1 3.71Å; L115-I117 HydrophobicContact CG-CG1 3.74Å; L115-I117 PolarHBondContact O-N 3.43Å; L115-L118 HydrophobicContact CB-CD1 4.24Å; L115-L118 HydrophobicContact CB-CG 4.42Å; L115-L118 HydrophobicContact CD2-CD1 4.17Å; L115-L118 HydrophobicContact CD2-CG 4.21Å; L115-L118 PolarHBondContact O-N 3.37Å; L115-L118 VanDerWaalsContact O-N 3.12Å; L115-I135 HydrophobicContact CD2-CG1 3.86Å; L115-L138 HydrophobicContact CB-CD2 4.4Å; L115-L138 HydrophobicContact CD1-CD2 4.37Å
116	D	94.8	Very high	97.4	Very high	59 Å²	59	60.1 Å²	60.1	32%	0.316	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-65.2	-36.9	-171.5	59.1	-7.8	0	0	0	113.1	L118 K119 D120 K121	D116-L118 PolarHBondContact O-N 3.1Å; D116-K119 CarbonylContact O-C 3.54Å; D116-K119 PolarHBondContact O-N 2.71Å; D116-D120 PolarHBondContact O-N 3.39Å; D116-K121 HydrophobicContact CB-CB 4.31Å; D116-K121 HydrophobicContact CB-CD 4.17Å; D116-K121 HydrophobicContact CB-CG 4.15Å; D116-K121 PolarHBondContact O-N 2.76Å; D116-K121 VanDerWaalsContact OD2-CD 3.26Å; D116-K121 WeakPolarHBondContact OD2-CD 3.49Å; D116-K121 VanDerWaalsContact OD2-CE 3.3Å; D116-K121 WeakPolarHBondContact OD2-CE 3.24Å; D116-K121 IonicContact OD2-NZ 3.12Å; D116-K121 PolarHBondContact OD2-NZ 3.43Å
117	I	97.1	Very high	97.4	Very high	15 Å²	15	61.2 Å²	61.2	8%	0.077	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-65.5	-17.4	176	68.7	159.1	0	0	0	112.9	L115 K119 W122 Y126 S134	L115-I117 HydrophobicContact CD1-CG1 4.4Å; L115-I117 HydrophobicContact CD2-CD1 4.16Å; L115-I117 HydrophobicContact CD2-CG1 3.71Å; L115-I117 HydrophobicContact CG-CG1 3.74Å; L115-I117 PolarHBondContact O-N 3.43Å; I117-K119 VanDerWaalsContact C-N 3.33Å; I117-W122 VanDerWaalsContact O-CA 3.25Å; I117-W122 WeakPolarHBondContact O-CA 3.48Å; I117-W122 WeakPolarHBondContact O-CB 3.39Å; I117-W122 VanDerWaalsContact O-CE3 3.29Å; I117-Y126 HydrophobicContact CB-CD2 4.21Å; I117-Y126 HydrophobicContact CB-CE2 3.83Å; I117-Y126 HydrophobicContact CG2-CE2 3.8Å; I117-S134 WeakPolarHBondContact CD1-OG 3.28Å
118	L	96.6	Very high	97.4	Very high	24 Å²	24	61.2 Å²	61.2	13%	0.126	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-91.6	3.3	173.1	-64.3	177.6	0	0	0	112.7	V96 L115 D116 I131	V96-L118 HydrophobicContact CB-CD1 3.97Å; V96-L118 HydrophobicContact CB-CD2 4.48Å; V96-L118 HydrophobicContact CG2-CD1 4.31Å; V96-L118 HydrophobicContact CG2-CD2 3.92Å; L115-L118 HydrophobicContact CB-CD1 4.24Å; L115-L118 HydrophobicContact CB-CG 4.42Å; L115-L118 HydrophobicContact CD2-CD1 4.17Å; L115-L118 HydrophobicContact CD2-CG 4.21Å; L115-L118 PolarHBondContact O-N 3.37Å; L115-L118 VanDerWaalsContact O-N 3.12Å; D116-L118 PolarHBondContact O-N 3.1Å; L118-I131 HydrophobicContact CD2-CD1 4.39Å; L118-I131 HydrophobicContact CD2-CG1 4.31Å; L118-I131 HydrophobicContact CD2-CG2 4.17Å
119	K	93.4	Very high	97.4	Very high	137 Å²	137	62.9 Å²	62.9	60%	0.596	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.3	-107.9	-177.9	-65.1	-172.5	179.1	-175.6	0	110.8	D116 I117	D116-K119 CarbonylContact O-C 3.54Å; D116-K119 PolarHBondContact O-N 2.71Å; I117-K119 VanDerWaalsContact C-N 3.33Å
120	D	94.2	Very high	97.5	Very high	131 Å²	131	58.2 Å²	58.2	70%	0.701	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-22.6	-169.8	57.8	-60.6	0	0	0	113.4	D116	D116-D120 PolarHBondContact O-N 3.39Å
121	K	97.3	Very high	97.6	Very high	117 Å²	117	51.6 Å²	51.6	51%	0.509	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	15.5	175.3	-60.1	-165.2	-162.8	153.7	0	113.6	D116 S123 Y126	D116-K121 HydrophobicContact CB-CB 4.31Å; D116-K121 HydrophobicContact CB-CD 4.17Å; D116-K121 HydrophobicContact CB-CG 4.15Å; D116-K121 PolarHBondContact O-N 2.76Å; D116-K121 VanDerWaalsContact OD2-CD 3.26Å; D116-K121 WeakPolarHBondContact OD2-CD 3.49Å; D116-K121 VanDerWaalsContact OD2-CE 3.3Å; D116-K121 WeakPolarHBondContact OD2-CE 3.24Å; D116-K121 IonicContact OD2-NZ 3.12Å; D116-K121 PolarHBondContact OD2-NZ 3.43Å; K121-S123 PolarHBondContact O-N 3.43Å; K121-Y126 WeakPolarHBondContact O-CE2 3.32Å
122	W	98.5	Very high	97.6	Very high	38 Å²	38	51.3 Å²	51.3	14%	0.144	26%	0.259	C	S	.	.			trans	-59.3	135.7	173.4	173.5	-106.7	0	0	0	111	Y89 P90 A93 P94 I117 Y126 I131	Y89-W122 HydrophobicContact CD2-CZ2 4.25Å; Y89-W122 AromaticContact CE2-CH2 3.74Å; Y89-W122 HydrophobicContact CE2-CH2 3.74Å; Y89-W122 AromaticContact CE2-CZ2 3.57Å; Y89-W122 HydrophobicContact CE2-CZ2 3.57Å; P90-W122 PolarHBondContact O-NE1 2.9Å; A93-W122 HydrophobicContact CB-CB 3.95Å; A93-W122 HydrophobicContact CB-CD2 3.58Å; A93-W122 HydrophobicContact CB-CE3 3.94Å; A93-W122 HydrophobicContact CB-CG 3.56Å; P94-W122 HydrophobicContact CG-CH2 4.48Å; I117-W122 VanDerWaalsContact O-CA 3.25Å; I117-W122 WeakPolarHBondContact O-CA 3.48Å; I117-W122 WeakPolarHBondContact O-CB 3.39Å; I117-W122 VanDerWaalsContact O-CE3 3.29Å; W122-Y126 AromaticContact CE3-CD2 3.99Å; W122-Y126 HydrophobicContact CE3-CD2 3.99Å; W122-Y126 HydrophobicContact CZ3-CD2 4.2Å; W122-Y126 HydrophobicContact CZ3-CG 4.46Å; W122-I131 HydrophobicContact CH2-CD1 4.29Å; W122-I131 HydrophobicContact CZ3-CD1 3.91Å; W122-I131 HydrophobicContact CZ3-CG1 4.23Å
123	S	98.4	Very high	97.6	Very high	39 Å²	39	50.9 Å²	50.9	27%	0.273	26%	0.256	S	S	.	.			trans	-125.5	136.3	173	176.8	0	0	0	0	109.4	K121 L125 Y126	K121-S123 PolarHBondContact O-N 3.43Å; S123-L125 PolarHBondContact O-N 3.47Å; S123-L125 PolarHBondContact OG-N 2.98Å; S123-Y126 WeakPolarHBondContact O-CB 3.49Å; S123-Y126 PolarHBondContact O-N 3.33Å
124	A	98.1	Very high	97.6	Very high	31 Å²	31	52.1 Å²	52.1	26%	0.256	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-9.1	174.9	0	0	0	0	0	113.7	R34 P90 Y91	R34-A124 PolarHBondContact NH1-O 3.49Å; R34-A124 PolarHBondContact NH2-O 3.46Å; P90-A124 HydrophobicContact CB-CB 4.1Å; P90-A124 HydrophobicContact CG-CB 4.11Å; P90-A124 VanDerWaalsContact O-CA 3.31Å; P90-A124 WeakPolarHBondContact O-CA 3.36Å; P90-A124 WeakPolarHBondContact O-CB 3.12Å; Y91-A124 HydrophobicContact CD1-CB 4.3Å
125	L	98.2	Very high	97.7	Very high	151 Å²	151	50.5 Å²	50.5	79%	0.791	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-20.5	171.7	-61.3	178.9	0	0	0	113.2	S123	S123-L125 PolarHBondContact O-N 3.47Å; S123-L125 PolarHBondContact OG-N 2.98Å
126	Y	98.7	Very high	97.7	Very high	72 Å²	72	51 Å²	51	28%	0.282	26%	0.256	S	S	.	.			trans	-71.6	142.3	177.2	-61.3	-28.9	0	0	0	110.9	R34 Y89 I117 K121 W122 S123 T130	R34-Y126 PolarHBondContact NH2-O 3.08Å; Y89-Y126 PolarHBondContact OH-O 2.81Å; I117-Y126 HydrophobicContact CB-CD2 4.21Å; I117-Y126 HydrophobicContact CB-CE2 3.83Å; I117-Y126 HydrophobicContact CG2-CE2 3.8Å; K121-Y126 WeakPolarHBondContact O-CE2 3.32Å; W122-Y126 AromaticContact CE3-CD2 3.99Å; W122-Y126 HydrophobicContact CE3-CD2 3.99Å; W122-Y126 HydrophobicContact CZ3-CD2 4.2Å; W122-Y126 HydrophobicContact CZ3-CG 4.46Å; S123-Y126 WeakPolarHBondContact O-CB 3.49Å; S123-Y126 PolarHBondContact O-N 3.33Å; Y126-T130 HydrophobicContact CD1-CG2 3.74Å; Y126-T130 HydrophobicContact CE1-CG2 4.27Å; Y126-T130 HydrophobicContact CG-CG2 4.08Å
127	D	98.6	Very high	97.9	Very high	24 Å²	24	51.6 Å²	51.6	13%	0.128	27%	0.265	C	S	.	.			trans	-118.8	173.8	178	62	2.6	0	0	0	111.1	E38 R129 T130 I131	E38-D127 HydrophobicContact CB-CB 4.44Å; E38-D127 VanDerWaalsContact CD-CB 3.47Å; E38-D127 HydrophobicContact CG-CB 3.69Å; E38-D127 WeakPolarHBondContact OE2-CA 3.4Å; E38-D127 WeakPolarHBondContact OE2-CB 3.46Å; D127-R129 PolarHBondContact O-N 2.95Å; D127-R129 PolarHBondContact OD1-N 3.37Å; D127-T130 WeakPolarHBondContact O-CB 3.39Å; D127-T130 PolarHBondContact O-N 2.97Å; D127-T130 VanDerWaalsContact O-N 3.13Å; D127-T130 VanDerWaalsContact OD1-CB 3.29Å; D127-T130 WeakPolarHBondContact OD1-CB 3.44Å; D127-T130 PolarHBondContact OD1-N 3.37Å; D127-T130 PolarHBondContact OD1-OG1 3.22Å; D127-I131 WeakPolarHBondContact O-CG1 3.34Å; D127-I131 PolarHBondContact O-N 2.86Å; D127-I131 VanDerWaalsContact O-N 3.09Å
128	V	98.7	Very high	98	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-52.9	-41	175.7	174.4	0	0	0	0	111.5	E38 L42 A52 W62 L83 F85 T130 I131 L132	E38-V128 WeakPolarHBondContact OE2-CG2 3.42Å; E38-V128 PolarHBondContact OE2-N 3.24Å; L42-V128 HydrophobicContact CD2-CG1 3.97Å; A52-V128 HydrophobicContact CB-CG1 4.04Å; W62-V128 HydrophobicContact CE3-CG1 4.15Å; W62-V128 HydrophobicContact CE3-CG2 4.17Å; W62-V128 HydrophobicContact CH2-CG2 4.18Å; W62-V128 HydrophobicContact CZ3-CB 4.2Å; W62-V128 HydrophobicContact CZ3-CG1 3.98Å; W62-V128 HydrophobicContact CZ3-CG2 3.86Å; L83-V128 HydrophobicContact CD2-CG1 4.05Å; L83-V128 HydrophobicContact CD2-CG2 4.46Å; F85-V128 HydrophobicContact CE1-CG2 3.88Å; F85-V128 HydrophobicContact CZ-CG2 3.55Å; V128-T130 PolarHBondContact O-N 3.43Å; V128-I131 PolarHBondContact O-N 3.24Å; V128-L132 HydrophobicContact CG1-CD1 3.88Å; V128-L132 HydrophobicContact CG1-CG 4.18Å; V128-L132 VanDerWaalsContact O-CG 3.32Å; V128-L132 WeakPolarHBondContact O-CG 3.36Å; V128-L132 PolarHBondContact O-N 3.26Å
129	R	98.6	Very high	98.1	Very high	81 Å²	81	50.7 Å²	50.7	31%	0.306	26%	0.26	S	S	.	.	H	α-helix	trans	-57.2	-50.6	177.1	178.7	-175.7	178.2	-100.8	-8.3	111.5	L42 D47 D127 I131 L132 L133	L42-R129 HydrophobicContact CD1-CB 4.02Å; L42-R129 HydrophobicContact CD1-CG 4.3Å; D47-R129 IonicContact OD1-CZ 3.6Å; D47-R129 IonicContact OD1-NE 3.53Å; D47-R129 IonicContact OD1-NH2 2.8Å; D47-R129 PolarHBondContact OD1-NH2 2.85Å; D47-R129 WeakPolarHBondContact OD2-CD 3.48Å; D47-R129 IonicContact OD2-CZ 3.52Å; D47-R129 IonicContact OD2-NE 2.67Å; D47-R129 PolarHBondContact OD2-NE 2.89Å; D47-R129 IonicContact OD2-NH2 3.5Å; D127-R129 PolarHBondContact O-N 2.95Å; D127-R129 PolarHBondContact OD1-N 3.37Å; R129-I131 VanDerWaalsContact C-N 3.32Å; R129-I131 PolarHBondContact O-N 2.94Å; R129-L132 PolarHBondContact O-N 3.21Å; R129-L133 HydrophobicContact CG-CD1 3.98Å; R129-L133 WeakPolarHBondContact O-CG 3.4Å; R129-L133 PolarHBondContact O-N 2.94Å
130	T	98.7	Very high	98.3	Very high	40 Å²	40	45.4 Å²	45.4	25%	0.245	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-46.4	178.6	-56.9	0	0	0	0	110.8	Y126 D127 V128 L132 L133 S134	Y126-T130 HydrophobicContact CD1-CG2 3.74Å; Y126-T130 HydrophobicContact CE1-CG2 4.27Å; Y126-T130 HydrophobicContact CG-CG2 4.08Å; D127-T130 WeakPolarHBondContact O-CB 3.39Å; D127-T130 PolarHBondContact O-N 2.97Å; D127-T130 VanDerWaalsContact O-N 3.13Å; D127-T130 VanDerWaalsContact OD1-CB 3.29Å; D127-T130 WeakPolarHBondContact OD1-CB 3.44Å; D127-T130 PolarHBondContact OD1-N 3.37Å; D127-T130 PolarHBondContact OD1-OG1 3.22Å; V128-T130 PolarHBondContact O-N 3.43Å; T130-L132 PolarHBondContact O-N 2.84Å; T130-L133 PolarHBondContact O-N 2.77Å; T130-S134 WeakPolarHBondContact O-CB 3.5Å; T130-S134 PolarHBondContact O-N 3.26Å; T130-S134 PolarHBondContact O-OG 3.46Å
131	I	98.8	Very high	98.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.4	-50	178.3	-66.5	168.8	0	0	0	111.4	L83 P94 V96 L118 W122 D127 V128 R129 S134 I135	L83-I131 HydrophobicContact CD2-CG2 4.49Å; P94-I131 HydrophobicContact CG-CD1 3.47Å; P94-I131 VanDerWaalsContact CG-CD1 3.47Å; V96-I131 HydrophobicContact CG2-CG2 4.06Å; L118-I131 HydrophobicContact CD2-CD1 4.39Å; L118-I131 HydrophobicContact CD2-CG1 4.31Å; L118-I131 HydrophobicContact CD2-CG2 4.17Å; W122-I131 HydrophobicContact CH2-CD1 4.29Å; W122-I131 HydrophobicContact CZ3-CD1 3.91Å; W122-I131 HydrophobicContact CZ3-CG1 4.23Å; D127-I131 WeakPolarHBondContact O-CG1 3.34Å; D127-I131 PolarHBondContact O-N 2.86Å; D127-I131 VanDerWaalsContact O-N 3.09Å; V128-I131 PolarHBondContact O-N 3.24Å; R129-I131 VanDerWaalsContact C-N 3.32Å; R129-I131 PolarHBondContact O-N 2.94Å; I131-S134 PolarHBondContact O-N 2.93Å; I131-I135 HydrophobicContact CG2-CD1 3.76Å; I131-I135 WeakPolarHBondContact O-CG1 3.44Å; I131-I135 PolarHBondContact O-N 3.16Å
132	L	98.9	Very high	98.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.8	-41.7	-177.1	-66.7	175.4	0	0	0	111.9	L42 I50 A52 I66 V128 R129 T130 I135 Q136	L42-L132 HydrophobicContact CD1-CD1 4.29Å; L42-L132 HydrophobicContact CD2-CD1 4.08Å; I50-L132 HydrophobicContact CB-CB 4.07Å; I50-L132 HydrophobicContact CB-CD1 4.32Å; I50-L132 HydrophobicContact CD1-CB 3.85Å; I50-L132 HydrophobicContact CD1-CD1 4.44Å; I50-L132 HydrophobicContact CG2-CB 4.15Å; A52-L132 HydrophobicContact CB-CD1 3.91Å; I66-L132 HydrophobicContact CD1-CB 4.46Å; I66-L132 HydrophobicContact CD1-CD2 3.98Å; I66-L132 WeakPolarHBondContact CD1-O 3.35Å; I66-L132 HydrophobicContact CG1-CD2 4.06Å; V128-L132 HydrophobicContact CG1-CD1 3.88Å; V128-L132 HydrophobicContact CG1-CG 4.18Å; V128-L132 VanDerWaalsContact O-CG 3.32Å; V128-L132 WeakPolarHBondContact O-CG 3.36Å; V128-L132 PolarHBondContact O-N 3.26Å; R129-L132 PolarHBondContact O-N 3.21Å; T130-L132 PolarHBondContact O-N 2.84Å; L132-I135 PolarHBondContact O-N 3.41Å; L132-Q136 WeakPolarHBondContact O-CB 3.45Å; L132-Q136 PolarHBondContact O-N 2.87Å
133	L	98.7	Very high	98.4	Very high	43 Å²	43	43.8 Å²	43.8	23%	0.225	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-44.2	175.7	-71	171.6	0	0	0	111.2	D47 I50 R129 T130 I135 Q136 S137	D47-L133 HydrophobicContact CB-CD2 4.34Å; I50-L133 HydrophobicContact CD1-CD2 3.68Å; I50-L133 HydrophobicContact CD1-CG 3.68Å; I50-L133 HydrophobicContact CG1-CD2 4.4Å; R129-L133 HydrophobicContact CG-CD1 3.98Å; R129-L133 WeakPolarHBondContact O-CG 3.4Å; R129-L133 PolarHBondContact O-N 2.94Å; T130-L133 PolarHBondContact O-N 2.77Å; L133-I135 VanDerWaalsContact C-N 3.34Å; L133-I135 PolarHBondContact O-N 3.43Å; L133-Q136 PolarHBondContact O-N 3.34Å; L133-S137 PolarHBondContact O-N 2.99Å; L133-S137 PolarHBondContact O-OG 2.87Å
134	S	98.8	Very high	98.3	Very high	38 Å²	38	44.7 Å²	44.7	27%	0.266	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-39.2	177.9	-63.7	0	0	0	0	112.7	I117 T130 I131 L138	I117-S134 WeakPolarHBondContact CD1-OG 3.28Å; T130-S134 WeakPolarHBondContact O-CB 3.5Å; T130-S134 PolarHBondContact O-N 3.26Å; T130-S134 PolarHBondContact O-OG 3.46Å; I131-S134 PolarHBondContact O-N 2.93Å; S134-L138 WeakPolarHBondContact O-CB 3.46Å; S134-L138 PolarHBondContact O-N 3.25Å
135	I	98.8	Very high	98.1	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-68.9	-39.8	174.9	-64.5	166.4	0	0	0	110.8	I66 L81 V96 F98 I113 L115 I131 L132 L133 L138 L139	I66-I135 HydrophobicContact CD1-CB 3.72Å; I66-I135 HydrophobicContact CD1-CG2 3.58Å; L81-I135 HydrophobicContact CD2-CD1 3.96Å; L81-I135 HydrophobicContact CD2-CG2 4.11Å; V96-I135 HydrophobicContact CG1-CD1 3.72Å; F98-I135 HydrophobicContact CE2-CG2 4.15Å; F98-I135 HydrophobicContact CZ-CG2 3.77Å; I113-I135 HydrophobicContact CD1-CD1 3.78Å; I113-I135 HydrophobicContact CD1-CG1 4.23Å; I113-I135 HydrophobicContact CD1-CG2 4.37Å; L115-I135 HydrophobicContact CD2-CG1 3.86Å; I131-I135 HydrophobicContact CG2-CD1 3.76Å; I131-I135 WeakPolarHBondContact O-CG1 3.44Å; I131-I135 PolarHBondContact O-N 3.16Å; L132-I135 PolarHBondContact O-N 3.41Å; L133-I135 VanDerWaalsContact C-N 3.34Å; L133-I135 PolarHBondContact O-N 3.43Å; I135-L138 WeakPolarHBondContact O-CB 3.39Å; I135-L138 PolarHBondContact O-N 3.08Å; I135-L139 PolarHBondContact O-N 2.96Å; I135-L139 VanDerWaalsContact O-N 3.16Å
136	Q	98.8	Very high	97.9	Very high	30 Å²	30	46.4 Å²	46.4	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-61.5	-43.3	175.2	-173.8	-177	51.9	0	0	111.7	K48 I50 I66 H67 L132 L133 L139	K48-Q136 PolarHBondContact O-NE2 3.26Å; I50-Q136 HydrophobicContact CG2-CB 4.3Å; I66-Q136 HydrophobicContact CG2-CB 3.76Å; I66-Q136 HydrophobicContact CG2-CG 3.89Å; H67-Q136 PolarHBondContact O-NE2 2.87Å; L132-Q136 WeakPolarHBondContact O-CB 3.45Å; L132-Q136 PolarHBondContact O-N 2.87Å; L133-Q136 PolarHBondContact O-N 3.34Å; Q136-L139 WeakPolarHBondContact O-CB 3.48Å; Q136-L139 PolarHBondContact O-N 3.31Å
137	S	98.4	Very high	97.8	Very high	71 Å²	71	45 Å²	45	50%	0.497	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-43.2	173.5	-67	0	0	0	0	111.7	L133 L139 G140 E141	L133-S137 PolarHBondContact O-N 2.99Å; L133-S137 PolarHBondContact O-OG 2.87Å; S137-L139 PolarHBondContact O-N 3.44Å; S137-G140 PolarHBondContact O-N 3.37Å; S137-E141 PolarHBondContact O-N 3.49Å
138	L	98.5	Very high	97.8	Very high	17 Å²	17	47.7 Å²	47.7	9%	0.089	27%	0.266	C	S	.	.	H	α-helix	trans	-56.7	-36	178.4	-175.2	68.4	0	0	0	112.2	H104 N106 I113 L115 S134 I135 G140 E141	H104-L138 PolarHBondContact NE2-O 3.35Å; N106-L138 HydrophobicContact CB-CD2 4.16Å; I113-L138 HydrophobicContact CG2-CD2 3.81Å; L115-L138 HydrophobicContact CB-CD2 4.4Å; L115-L138 HydrophobicContact CD1-CD2 4.37Å; S134-L138 WeakPolarHBondContact O-CB 3.46Å; S134-L138 PolarHBondContact O-N 3.25Å; I135-L138 WeakPolarHBondContact O-CB 3.39Å; I135-L138 PolarHBondContact O-N 3.08Å; L138-G140 VanDerWaalsContact C-N 3.28Å; L138-G140 PolarHBondContact O-N 2.55Å; L138-E141 CarbonylContact O-C 3.42Å; L138-E141 VanDerWaalsContact O-C 3.29Å; L138-E141 PolarHBondContact O-N 3.02Å
139	L	98.6	Very high	97.7	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-40.7	174.6	-66.1	176	0	0	0	112.2	I66 Y74 Y79 F98 I135 Q136 S137 W156	I66-L139 HydrophobicContact CG2-CD1 4.03Å; Y74-L139 HydrophobicContact CD1-CD2 4.24Å; Y74-L139 HydrophobicContact CD2-CB 3.88Å; Y74-L139 WeakPolarHBondContact CD2-O 3.25Å; Y74-L139 HydrophobicContact CE1-CD2 4.14Å; Y74-L139 HydrophobicContact CE2-CB 4.23Å; Y74-L139 WeakPolarHBondContact CE2-O 3.23Å; Y74-L139 HydrophobicContact CG-CB 4.17Å; Y74-L139 HydrophobicContact CG-CD2 4.5Å; Y79-L139 HydrophobicContact CD2-CD1 4.44Å; F98-L139 HydrophobicContact CZ-CD2 4.27Å; I135-L139 PolarHBondContact O-N 2.96Å; I135-L139 VanDerWaalsContact O-N 3.16Å; Q136-L139 WeakPolarHBondContact O-CB 3.48Å; Q136-L139 PolarHBondContact O-N 3.31Å; S137-L139 PolarHBondContact O-N 3.44Å; L139-W156 WeakPolarHBondContact O-CH2 3.39Å
140	G	97.8	Very high	97.7	Very high	26 Å²	26	50 Å²	50	27%	0.268	29%	0.288	S	S	.	.	H	α-helix	trans	-81.8	-27.3	178.5	0	0	0	0	0	113.7	S137 L138 W156	S137-G140 PolarHBondContact O-N 3.37Å; L138-G140 VanDerWaalsContact C-N 3.28Å; L138-G140 PolarHBondContact O-N 2.55Å; G140-W156 WeakPolarHBondContact O-CZ2 3.37Å
141	E	97.9	Very high	97.7	Very high	161 Å²	161	52.2 Å²	52.2	75%	0.752	30%	0.296	S	S	*	.	S	Bend	trans	-133.2	70.4	-170	-63.2	177.3	-176.7	0	0	110.6	S137 L138	S137-E141 PolarHBondContact O-N 3.49Å; L138-E141 CarbonylContact O-C 3.42Å; L138-E141 VanDerWaalsContact O-C 3.29Å; L138-E141 PolarHBondContact O-N 3.02Å
142	P	97.9	Very high	97.7	Very high	19 Å²	19	52.2 Å²	52.2	12%	0.123	30%	0.296	C	S	.	.			trans	-70.4	151.2	-177.9	28.6	-34.9	0	0	0	112	P105 N106 I144 W156	P105-P142 HydrophobicContact CB-CB 3.98Å; P105-P142 HydrophobicContact CG-CB 3.79Å; P105-P142 HydrophobicContact CG-CG 4.07Å; N106-P142 WeakPolarHBondContact OD1-CA 3.4Å; N106-P142 WeakPolarHBondContact OD1-CB 3.44Å; P142-I144 HydrophobicContact CB-CD1 4.21Å; P142-I144 HydrophobicContact CG-CD1 3.99Å; P142-I144 HydrophobicContact CG-CG1 4.45Å; P142-I144 PolarHBondContact O-N 2.8Å; P142-W156 VanDerWaalsContact CD-CE2 3.47Å; P142-W156 HydrophobicContact CG-CD2 3.64Å; P142-W156 HydrophobicContact CG-CE3 4.2Å; P142-W156 HydrophobicContact CG-CG 4.06Å; P142-W156 HydrophobicContact CG-CH2 4.08Å; P142-W156 HydrophobicContact CG-CZ2 3.53Å; P142-W156 HydrophobicContact CG-CZ3 4.39Å
143	N	96.2	Very high	97.6	Very high	73 Å²	73	52.5 Å²	52.5	39%	0.39	30%	0.298	S	S	.	.			trans	-84.6	105.4	167	179.7	-4.7	0	0	0	110.1	N106 D145	N106-N143 PolarHBondContact ND2-O 2.88Å; N106-N143 PolarHBondContact OD1-N 3.34Å; N143-D145 WeakPolarHBondContact OD1-CB 3.12Å; N143-D145 PolarHBondContact OD1-N 2.67Å
144	I	96.9	Very high	97.6	Very high	57 Å²	57	56.7 Å²	56.7	29%	0.292	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-13.3	-178.2	-58.9	-62	0	0	0	112.9	P105 P142 S146 P147 A153 W156	P105-I144 HydrophobicContact CB-CD1 3.81Å; P105-I144 HydrophobicContact CG-CD1 3.75Å; P142-I144 HydrophobicContact CB-CD1 4.21Å; P142-I144 HydrophobicContact CG-CD1 3.99Å; P142-I144 HydrophobicContact CG-CG1 4.45Å; P142-I144 PolarHBondContact O-N 2.8Å; I144-S146 VanDerWaalsContact C-N 3.34Å; I144-P147 WeakPolarHBondContact O-CD 3.4Å; I144-A153 HydrophobicContact CD1-CB 4.05Å; I144-A153 HydrophobicContact CG2-CB 4.37Å; I144-W156 HydrophobicContact CD1-CB 3.95Å; I144-W156 HydrophobicContact CD1-CG 3.95Å
145	D	94.3	Very high	97.6	Very high	151 Å²	151	56.9 Å²	56.9	81%	0.807	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-18.8	-177.9	-60.9	-32.8	0	0	0	112.9	N143	N143-D145 WeakPolarHBondContact OD1-CB 3.12Å; N143-D145 PolarHBondContact OD1-N 2.67Å
146	S	92.4	Very high	97.6	Very high	68 Å²	68	59.6 Å²	59.6	48%	0.476	32%	0.324	S	S	.	.	S	Bend	trans	-140.5	67.9	178.5	-66.9	0	0	0	0	111.5	N106 I144	N106-S146 PolarHBondContact ND2-O 3.41Å; I144-S146 VanDerWaalsContact C-N 3.34Å
147	P	97.1	Very high	97.5	Very high	43 Å²	43	66.4 Å²	66.4	28%	0.279	35%	0.353	S	S	.	.			trans	-79.5	142.2	-175.4	33.4	-34.2	0	0	0	111.7	P105 I144 T150 A153	P105-P147 CarbonylContact O-C 3.55Å; P105-P147 WeakPolarHBondContact O-CA 3.36Å; I144-P147 WeakPolarHBondContact O-CD 3.4Å; P147-T150 HydrophobicContact CG-CG2 4.27Å; P147-A153 HydrophobicContact CB-CB 3.6Å; P147-A153 HydrophobicContact CG-CB 4.01Å
148	L	98.1	Very high	97.4	Very high	79 Å²	79	67 Å²	67	41%	0.414	35%	0.351	S	S	.	.	S	Bend	trans	-84.4	-24.4	164	-62.3	-174.4	0	0	0	111.6	P105 N106 D108 C114	P105-L148 PolarHBondContact O-N 3.14Å; N106-L148 WeakPolarHBondContact O-CD1 3.44Å; D108-L148 HydrophobicContact CB-CB 4.18Å; D108-L148 HydrophobicContact CB-CD1 4.18Å; C114-L148 HydrophobicContact CB-CD1 3.81Å; C114-L148 HydrophobicContact CB-CD2 4.29Å; C114-L148 HydrophobicContact CB-CG 3.82Å
149	N	98.4	Very high	97.3	Very high	39 Å²	39	69.9 Å²	69.9	21%	0.209	37%	0.371	C	S	.	.			trans	-124	96.6	177.4	-176.3	-20	0	0	0	109.4	H104 P105 H151 A152 A153	H104-N149 WeakPolarHBondContact O-CB 3.35Å; P105-N149 PolarHBondContact O-N 3.08Å; N149-H151 VanDerWaalsContact C-N 3.31Å; N149-H151 PolarHBondContact O-N 2.94Å; N149-H151 PolarHBondContact OD1-N 3.43Å; N149-A152 HydrophobicContact CB-CB 4Å; N149-A152 PolarHBondContact O-N 2.96Å; N149-A152 PolarHBondContact OD1-N 3.45Å; N149-A153 PolarHBondContact O-N 3.39Å
150	T	98.1	Very high	97.3	Very high	91 Å²	91	75.2 Å²	75.2	56%	0.558	40%	0.404	S	S	*	.	H	α-helix	trans	-63.1	-37.4	-178.5	51.3	0	0	0	0	112.3	P147 A152 A153 E154	P147-T150 HydrophobicContact CG-CG2 4.27Å; T150-A152 PolarHBondContact O-N 3.36Å; T150-A153 WeakPolarHBondContact O-CB 3.38Å; T150-A153 PolarHBondContact O-N 2.99Å; T150-E154 WeakPolarHBondContact O-CG 3.41Å; T150-E154 PolarHBondContact O-N 3.47Å
151	H	98.1	Very high	97.3	Very high	87 Å²	87	75.6 Å²	75.6	40%	0.403	41%	0.405	S	S	.	.	H	α-helix	trans	-62.7	-44.7	177.2	-179.8	-111.8	0	0	0	111.8	Y103 N149 A153 L155 Y165	Y103-H151 AromaticContact CE2-ND1 3.59Å; Y103-H151 AromaticContact CZ-ND1 3.67Å; Y103-H151 PolarHBondContact OH-CE1 3.1Å; Y103-H151 VanDerWaalsContact OH-CE1 3.27Å; Y103-H151 PolarHBondContact OH-ND1 2.88Å; Y103-H151 PolarHBondContact OH-O 3.14Å; N149-H151 VanDerWaalsContact C-N 3.31Å; N149-H151 PolarHBondContact O-N 2.94Å; N149-H151 PolarHBondContact OD1-N 3.43Å; H151-A153 VanDerWaalsContact C-N 3.34Å; H151-L155 WeakPolarHBondContact O-CB 3.43Å; H151-L155 PolarHBondContact O-N 3.25Å; H151-Y165 AromaticContact CE1-CZ 3.86Å
152	A	98.4	Very high	97.4	Very high	0 Å²	0	68 Å²	68	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63.3	-41.2	173.9	0	0	0	0	0	111.8	Y103 P105 N149 T150 L155 W156 F162	Y103-A152 HydrophobicContact CD1-CB 4.47Å; Y103-A152 HydrophobicContact CD2-CB 4.31Å; Y103-A152 HydrophobicContact CE1-CB 4Å; Y103-A152 HydrophobicContact CE2-CB 3.8Å; Y103-A152 VanDerWaalsContact OH-CA 3.28Å; Y103-A152 WeakPolarHBondContact OH-CA 3.4Å; Y103-A152 PolarHBondContact OH-N 3.18Å; P105-A152 HydrophobicContact CG-CB 4.13Å; N149-A152 HydrophobicContact CB-CB 4Å; N149-A152 PolarHBondContact O-N 2.96Å; N149-A152 PolarHBondContact OD1-N 3.45Å; T150-A152 PolarHBondContact O-N 3.36Å; A152-L155 PolarHBondContact O-N 3.48Å; A152-W156 WeakPolarHBondContact O-CB 3.39Å; A152-W156 PolarHBondContact O-N 3.01Å; A152-F162 HydrophobicContact CB-CE2 4.06Å; A152-F162 WeakPolarHBondContact O-CE2 3.37Å
153	A	98.4	Very high	97.4	Very high	6 Å²	6	70.2 Å²	70.2	5%	0.05	38%	0.376	C	S	.	.	H	α-helix	trans	-64	-40.8	179.1	0	0	0	0	0	113	P105 I144 P147 N149 T150 H151 W156	P105-A153 HydrophobicContact CB-CB 4.07Å; I144-A153 HydrophobicContact CD1-CB 4.05Å; I144-A153 HydrophobicContact CG2-CB 4.37Å; P147-A153 HydrophobicContact CB-CB 3.6Å; P147-A153 HydrophobicContact CG-CB 4.01Å; N149-A153 PolarHBondContact O-N 3.39Å; T150-A153 WeakPolarHBondContact O-CB 3.38Å; T150-A153 PolarHBondContact O-N 2.99Å; H151-A153 VanDerWaalsContact C-N 3.34Å; A153-W156 WeakPolarHBondContact O-CB 3.43Å
154	E	98	Very high	97.5	Very high	131 Å²	131	73 Å²	73	61%	0.612	39%	0.385	S	S	*	.	H	α-helix	trans	-66.4	-45.8	175.4	-73.8	170.8	-165.5	0	0	111.6	T150 W156	T150-E154 WeakPolarHBondContact O-CG 3.41Å; T150-E154 PolarHBondContact O-N 3.47Å; E154-W156 VanDerWaalsContact C-N 3.27Å; E154-W156 PolarHBondContact O-N 3.31Å
155	L	98.1	Very high	97.5	Very high	41 Å²	41	74.8 Å²	74.8	22%	0.215	39%	0.389	C	S	.	.	H	α-helix	trans	-69.6	-24.9	-178.5	-167.9	63.2	0	0	0	112.6	Y103 H151 A152 K157 N158 A161 F162 Y165	Y103-L155 HydrophobicContact CE1-CD2 4.36Å; Y103-L155 WeakPolarHBondContact OH-CD2 3.44Å; H151-L155 WeakPolarHBondContact O-CB 3.43Å; H151-L155 PolarHBondContact O-N 3.25Å; A152-L155 PolarHBondContact O-N 3.48Å; L155-K157 PolarHBondContact O-N 3.43Å; L155-N158 PolarHBondContact O-N 3.34Å; L155-A161 HydrophobicContact CD1-CB 3.84Å; L155-F162 HydrophobicContact CB-CD2 4Å; L155-F162 HydrophobicContact CD2-CB 4.47Å; L155-F162 HydrophobicContact CD2-CD2 4.24Å; L155-F162 HydrophobicContact CG-CB 4.16Å; L155-F162 HydrophobicContact CG-CD2 4.05Å; L155-Y165 HydrophobicContact CD2-CD1 4.41Å; L155-Y165 HydrophobicContact CD2-CG 4.11Å
156	W	98.3	Very high	97.7	Very high	58 Å²	58	67.6 Å²	67.6	22%	0.22	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.6	179.7	-170.2	-107.7	0	0	0	113.5	V73 Y74 L139 G140 P142 I144 A152 A153 E154 N158 F162	V73-W156 HydrophobicContact CG2-CH2 3.77Å; V73-W156 HydrophobicContact CG2-CZ3 3.52Å; Y74-W156 HydrophobicContact CE2-CH2 4.02Å; Y74-W156 AromaticContact CE2-CZ3 3.78Å; Y74-W156 HydrophobicContact CE2-CZ3 3.78Å; L139-W156 WeakPolarHBondContact O-CH2 3.39Å; G140-W156 WeakPolarHBondContact O-CZ2 3.37Å; P142-W156 VanDerWaalsContact CD-CE2 3.47Å; P142-W156 HydrophobicContact CG-CD2 3.64Å; P142-W156 HydrophobicContact CG-CE3 4.2Å; P142-W156 HydrophobicContact CG-CG 4.06Å; P142-W156 HydrophobicContact CG-CH2 4.08Å; P142-W156 HydrophobicContact CG-CZ2 3.53Å; P142-W156 HydrophobicContact CG-CZ3 4.39Å; I144-W156 HydrophobicContact CD1-CB 3.95Å; I144-W156 HydrophobicContact CD1-CG 3.95Å; A152-W156 WeakPolarHBondContact O-CB 3.39Å; A152-W156 PolarHBondContact O-N 3.01Å; A153-W156 WeakPolarHBondContact O-CB 3.43Å; E154-W156 VanDerWaalsContact C-N 3.27Å; E154-W156 PolarHBondContact O-N 3.31Å; W156-N158 PolarHBondContact O-N 3.32Å; W156-N158 VanDerWaalsContact O-N 3.14Å; W156-F162 HydrophobicContact CB-CD2 4.48Å; W156-F162 HydrophobicContact CE3-CD1 4Å; W156-F162 AromaticContact CE3-CD2 3.87Å; W156-F162 HydrophobicContact CE3-CD2 3.87Å; W156-F162 AromaticContact CE3-CE1 3.83Å; W156-F162 HydrophobicContact CE3-CE1 3.83Å; W156-F162 AromaticContact CE3-CE2 3.7Å; W156-F162 HydrophobicContact CE3-CE2 3.7Å; W156-F162 HydrophobicContact CE3-CG 4.03Å; W156-F162 AromaticContact CE3-CZ 3.68Å; W156-F162 HydrophobicContact CE3-CZ 3.68Å; W156-F162 AromaticContact CZ3-CD1 3.97Å; W156-F162 HydrophobicContact CZ3-CD1 3.97Å; W156-F162 AromaticContact CZ3-CE1 3.64Å; W156-F162 HydrophobicContact CZ3-CE1 3.64Å; W156-F162 HydrophobicContact CZ3-CE2 4.34Å; W156-F162 HydrophobicContact CZ3-CG 4.45Å; W156-F162 AromaticContact CZ3-CZ 3.86Å; W156-F162 HydrophobicContact CZ3-CZ 3.86Å
157	K	96.8	Very high	98	Very high	173 Å²	173	68 Å²	68	75%	0.752	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.6	176.9	-62	174.1	-177	173.9	0	113.4	L155	L155-K157 PolarHBondContact O-N 3.43Å
158	N	98	Very high	97.9	Very high	83 Å²	83	70.1 Å²	70.1	44%	0.444	35%	0.351	S	S	.	.			trans	-122.5	88.2	176.6	-174.7	-20.5	0	0	0	110	L155 W156 T160 A161 F162	L155-N158 PolarHBondContact O-N 3.34Å; W156-N158 PolarHBondContact O-N 3.32Å; W156-N158 VanDerWaalsContact O-N 3.14Å; N158-T160 PolarHBondContact O-N 3.5Å; N158-T160 VanDerWaalsContact O-N 3.15Å; N158-T160 PolarHBondContact OD1-N 3.42Å; N158-A161 HydrophobicContact CB-CB 4.06Å; N158-A161 PolarHBondContact O-N 3.27Å; N158-A161 VanDerWaalsContact O-N 3.12Å; N158-A161 PolarHBondContact OD1-N 3.06Å; N158-A161 VanDerWaalsContact OD1-N 3.15Å; N158-F162 WeakPolarHBondContact O-CB 3.45Å; N158-F162 PolarHBondContact O-N 2.92Å
159	P	96.3	Very high	97.7	Very high	78 Å²	78	67.5 Å²	67.5	51%	0.506	34%	0.339	S	S	.	.	H	α-helix	trans	-56.6	-34.4	-175	-28.1	35.7	0	0	0	114.1	V73 K163	V73-P159 HydrophobicContact CG1-CB 4.17Å; P159-K163 VanDerWaalsContact O-CB 3.26Å; P159-K163 WeakPolarHBondContact O-CB 3.45Å; P159-K163 PolarHBondContact O-N 3.2Å
160	T	97.8	Very high	97.6	Very high	116 Å²	116	67 Å²	67	71%	0.712	33%	0.334	S	S	*	.	H	α-helix	trans	-66.6	-48.3	178.1	-54.7	0	0	0	0	111.4	N158 K164	N158-T160 PolarHBondContact O-N 3.5Å; N158-T160 VanDerWaalsContact O-N 3.15Å; N158-T160 PolarHBondContact OD1-N 3.42Å; T160-K164 WeakPolarHBondContact O-CB 3.48Å; T160-K164 PolarHBondContact O-N 2.79Å; T160-K164 VanDerWaalsContact O-N 3.13Å
161	A	98.3	Very high	97.4	Very high	34 Å²	34	65.9 Å²	65.9	28%	0.281	33%	0.33	S	S	.	.	H	α-helix	trans	-67	-39.8	177.5	0	0	0	0	0	111.4	L155 N158 K164 Y165	L155-A161 HydrophobicContact CD1-CB 3.84Å; N158-A161 HydrophobicContact CB-CB 4.06Å; N158-A161 PolarHBondContact O-N 3.27Å; N158-A161 VanDerWaalsContact O-N 3.12Å; N158-A161 PolarHBondContact OD1-N 3.06Å; N158-A161 VanDerWaalsContact OD1-N 3.15Å; A161-K164 PolarHBondContact O-N 3.3Å; A161-Y165 WeakPolarHBondContact O-CB 3.16Å; A161-Y165 PolarHBondContact O-N 3.03Å
162	F	98.6	Very high	97	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-52.8	175.8	-168.5	-82.1	0	0	0	111.5	V73 Y74 Y103 A152 L155 W156 N158 K164 Y165 L166	V73-F162 HydrophobicContact CB-CD1 4.15Å; V73-F162 HydrophobicContact CG2-CD1 3.62Å; V73-F162 HydrophobicContact CG2-CE1 3.78Å; Y74-F162 HydrophobicContact CE2-CE1 4.2Å; Y74-F162 AromaticContact CZ-CE1 3.86Å; Y74-F162 WeakPolarHBondContact OH-CE1 3.49Å; Y74-F162 WeakPolarHBondContact OH-CZ 3.43Å; Y103-F162 HydrophobicContact CD1-CE1 4.32Å; Y103-F162 HydrophobicContact CD1-CE2 4.04Å; Y103-F162 AromaticContact CD1-CZ 3.74Å; Y103-F162 HydrophobicContact CD1-CZ 3.74Å; Y103-F162 HydrophobicContact CE1-CD2 4.01Å; Y103-F162 HydrophobicContact CE1-CE1 4.39Å; Y103-F162 AromaticContact CE1-CE2 3.45Å; Y103-F162 HydrophobicContact CE1-CE2 3.45Å; Y103-F162 VanDerWaalsContact CE1-CE2 3.45Å; Y103-F162 AromaticContact CE1-CZ 3.67Å; Y103-F162 HydrophobicContact CE1-CZ 3.67Å; A152-F162 HydrophobicContact CB-CE2 4.06Å; A152-F162 WeakPolarHBondContact O-CE2 3.37Å; L155-F162 HydrophobicContact CB-CD2 4Å; L155-F162 HydrophobicContact CD2-CB 4.47Å; L155-F162 HydrophobicContact CD2-CD2 4.24Å; L155-F162 HydrophobicContact CG-CB 4.16Å; L155-F162 HydrophobicContact CG-CD2 4.05Å; W156-F162 HydrophobicContact CB-CD2 4.48Å; W156-F162 HydrophobicContact CE3-CD1 4Å; W156-F162 AromaticContact CE3-CD2 3.87Å; W156-F162 HydrophobicContact CE3-CD2 3.87Å; W156-F162 AromaticContact CE3-CE1 3.83Å; W156-F162 HydrophobicContact CE3-CE1 3.83Å; W156-F162 AromaticContact CE3-CE2 3.7Å; W156-F162 HydrophobicContact CE3-CE2 3.7Å; W156-F162 HydrophobicContact CE3-CG 4.03Å; W156-F162 AromaticContact CE3-CZ 3.68Å; W156-F162 HydrophobicContact CE3-CZ 3.68Å; W156-F162 AromaticContact CZ3-CD1 3.97Å; W156-F162 HydrophobicContact CZ3-CD1 3.97Å; W156-F162 AromaticContact CZ3-CE1 3.64Å; W156-F162 HydrophobicContact CZ3-CE1 3.64Å; W156-F162 HydrophobicContact CZ3-CE2 4.34Å; W156-F162 HydrophobicContact CZ3-CG 4.45Å; W156-F162 AromaticContact CZ3-CZ 3.86Å; W156-F162 HydrophobicContact CZ3-CZ 3.86Å; N158-F162 WeakPolarHBondContact O-CB 3.45Å; N158-F162 PolarHBondContact O-N 2.92Å; F162-K164 VanDerWaalsContact C-N 3.31Å; F162-K164 PolarHBondContact O-N 3.48Å; F162-Y165 PolarHBondContact O-N 2.94Å; F162-L166 HydrophobicContact CD1-CB 4.38Å; F162-L166 HydrophobicContact CD1-CD2 4.43Å; F162-L166 HydrophobicContact CE1-CB 4.3Å; F162-L166 HydrophobicContact CE1-CD2 4.04Å; F162-L166 WeakPolarHBondContact O-CB 3.36Å; F162-L166 PolarHBondContact O-N 3.13Å
163	K	98.4	Very high	96.5	Very high	66 Å²	66	71.8 Å²	71.8	29%	0.287	36%	0.355	S	S	.	.	H	α-helix	trans	-57.9	-44.1	179.9	-173.2	170.2	-173.1	167.9	0	111.5	V73 P159 L166 Q167	V73-K163 HydrophobicContact CB-CB 4.07Å; V73-K163 HydrophobicContact CB-CG 4.39Å; V73-K163 HydrophobicContact CG1-CB 4.08Å; P159-K163 VanDerWaalsContact O-CB 3.26Å; P159-K163 WeakPolarHBondContact O-CB 3.45Å; P159-K163 PolarHBondContact O-N 3.2Å; K163-L166 PolarHBondContact O-N 2.93Å; K163-Q167 HydrophobicContact CG-CG 4.43Å; K163-Q167 WeakPolarHBondContact O-CB 3.42Å; K163-Q167 VanDerWaalsContact O-CG 3.29Å; K163-Q167 WeakPolarHBondContact O-CG 3.29Å; K163-Q167 PolarHBondContact O-N 3.18Å
164	K	98.2	Very high	95.7	Very high	133 Å²	133	73.7 Å²	73.7	58%	0.578	37%	0.366	S	S	*	.	H	α-helix	trans	-59.1	-52.7	176.7	-179.3	178.2	176.2	179.5	0	111.7	T160 A161 F162 L166 Q167 E168	T160-K164 WeakPolarHBondContact O-CB 3.48Å; T160-K164 PolarHBondContact O-N 2.79Å; T160-K164 VanDerWaalsContact O-N 3.13Å; A161-K164 PolarHBondContact O-N 3.3Å; F162-K164 VanDerWaalsContact C-N 3.31Å; F162-K164 PolarHBondContact O-N 3.48Å; K164-L166 VanDerWaalsContact C-N 3.34Å; K164-L166 PolarHBondContact O-N 3.09Å; K164-Q167 PolarHBondContact O-N 3.13Å; K164-E168 WeakPolarHBondContact CE-OE1 3.25Å; K164-E168 WeakPolarHBondContact CG-OE1 3.4Å; K164-E168 WeakPolarHBondContact O-CG 3.42Å; K164-E168 PolarHBondContact O-N 3.45Å; K164-E168 VanDerWaalsContact O-N 3.08Å
165	Y	98.1	Very high	94.9	Very high	93 Å²	93	71.7 Å²	71.7	37%	0.365	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-42.4	-179.2	-173.9	-87.8	0	0	0	112	Y103 H151 L155 A161 F162 E168 T169	Y103-Y165 HydrophobicContact CD1-CD1 4.01Å; Y103-Y165 HydrophobicContact CD1-CE1 4.36Å; Y103-Y165 HydrophobicContact CD2-CD1 4.41Å; Y103-Y165 AromaticContact CD2-CE1 3.95Å; Y103-Y165 HydrophobicContact CD2-CE1 3.95Å; Y103-Y165 AromaticContact CE1-CD1 3.6Å; Y103-Y165 HydrophobicContact CE1-CD1 3.6Å; Y103-Y165 HydrophobicContact CE1-CE1 4.04Å; Y103-Y165 HydrophobicContact CE2-CD1 4.07Å; Y103-Y165 AromaticContact CE2-CE1 3.62Å; Y103-Y165 HydrophobicContact CE2-CE1 3.62Å; Y103-Y165 HydrophobicContact CG-CD1 4.38Å; Y103-Y165 HydrophobicContact CG-CE1 4.3Å; Y103-Y165 AromaticContact CZ-CD1 3.62Å; Y103-Y165 AromaticContact CZ-CE1 3.65Å; H151-Y165 AromaticContact CE1-CZ 3.86Å; L155-Y165 HydrophobicContact CD2-CD1 4.41Å; L155-Y165 HydrophobicContact CD2-CG 4.11Å; A161-Y165 WeakPolarHBondContact O-CB 3.16Å; A161-Y165 PolarHBondContact O-N 3.03Å; F162-Y165 PolarHBondContact O-N 2.94Å; Y165-E168 PolarHBondContact O-N 3.08Å; Y165-T169 HydrophobicContact CD1-CG2 3.99Å; Y165-T169 HydrophobicContact CE1-CG2 3.55Å; Y165-T169 HydrophobicContact CE2-CG2 4.34Å; Y165-T169 WeakPolarHBondContact O-CB 3.47Å; Y165-T169 WeakPolarHBondContact O-CG2 3.44Å; Y165-T169 PolarHBondContact O-N 2.79Å; Y165-T169 PolarHBondContact O-OG1 3.02Å
166	L	98.3	Very high	93.7	Very high	1 Å²	1	74.5 Å²	74.5	1%	0.005	39%	0.39	C	S	.	.	H	α-helix	trans	-58.5	-50	176.8	173.4	65.2	0	0	0	111.4	V73 Y74 L77 Y103 F162 K163 K164 E168 T169 Y170	V73-L166 HydrophobicContact CG2-CD2 4.38Å; V73-L166 WeakPolarHBondContact O-CD2 3.28Å; Y74-L166 HydrophobicContact CD1-CD1 4.27Å; Y74-L166 HydrophobicContact CD1-CD2 3.56Å; Y74-L166 HydrophobicContact CE1-CD1 3.85Å; Y74-L166 HydrophobicContact CE1-CD2 3.62Å; Y74-L166 HydrophobicContact CE1-CG 4.4Å; Y74-L166 HydrophobicContact CG-CD2 4.06Å; L77-L166 HydrophobicContact CD1-CD1 4.09Å; L77-L166 HydrophobicContact CD1-CD2 3.64Å; L77-L166 HydrophobicContact CD1-CG 3.64Å; Y103-L166 HydrophobicContact CD1-CB 4.46Å; Y103-L166 HydrophobicContact CD1-CD1 4.3Å; F162-L166 HydrophobicContact CD1-CB 4.38Å; F162-L166 HydrophobicContact CD1-CD2 4.43Å; F162-L166 HydrophobicContact CE1-CB 4.3Å; F162-L166 HydrophobicContact CE1-CD2 4.04Å; F162-L166 WeakPolarHBondContact O-CB 3.36Å; F162-L166 PolarHBondContact O-N 3.13Å; K163-L166 PolarHBondContact O-N 2.93Å; K164-L166 VanDerWaalsContact C-N 3.34Å; K164-L166 PolarHBondContact O-N 3.09Å; L166-E168 PolarHBondContact O-N 2.64Å; L166-T169 PolarHBondContact O-N 3.43Å; L166-T169 PolarHBondContact O-OG1 3.12Å; L166-T169 VanDerWaalsContact O-OG1 3.1Å; L166-Y170 WeakPolarHBondContact O-CB 3.34Å; L166-Y170 PolarHBondContact O-N 2.95Å
167	Q	97.2	Very high	91.9	Very high	76 Å²	76	77.2 Å²	77.2	36%	0.355	41%	0.405	S	S	.	.	H	α-helix	trans	-64.4	-42	-179.1	-73.3	178.6	-27.6	0	0	112.3	K163 K164 S171	K163-Q167 HydrophobicContact CG-CG 4.43Å; K163-Q167 WeakPolarHBondContact O-CB 3.42Å; K163-Q167 VanDerWaalsContact O-CG 3.29Å; K163-Q167 WeakPolarHBondContact O-CG 3.29Å; K163-Q167 PolarHBondContact O-N 3.18Å; K164-Q167 PolarHBondContact O-N 3.13Å; Q167-S171 WeakPolarHBondContact O-CB 3.38Å; Q167-S171 PolarHBondContact O-N 2.97Å; Q167-S171 PolarHBondContact O-OG 2.71Å
168	E	95.9	Very high	89.7	Confident	87 Å²	87	76.3 Å²	76.3	41%	0.407	40%	0.403	S	S	.	.	H	α-helix	trans	-63.7	-43.8	177.5	-73.4	176.8	-167.1	0	0	112.1	K164 Y165 L166 K172	K164-E168 WeakPolarHBondContact CE-OE1 3.25Å; K164-E168 WeakPolarHBondContact CG-OE1 3.4Å; K164-E168 WeakPolarHBondContact O-CG 3.42Å; K164-E168 PolarHBondContact O-N 3.45Å; K164-E168 VanDerWaalsContact O-N 3.08Å; Y165-E168 PolarHBondContact O-N 3.08Å; L166-E168 PolarHBondContact O-N 2.64Å; E168-K172 WeakPolarHBondContact O-CD 3.49Å; E168-K172 VanDerWaalsContact O-CG 3.27Å; E168-K172 WeakPolarHBondContact O-CG 3.38Å; E168-K172 PolarHBondContact O-N 3.46Å
169	T	94.4	Very high	87.3	Confident	25 Å²	25	82 Å²	82	15%	0.153	44%	0.444	C	S	.	.	H	α-helix	trans	-73.3	-41.2	-179.4	50.2	0	0	0	0	112.3	Y165 L166 S171 K172 Q173	Y165-T169 HydrophobicContact CD1-CG2 3.99Å; Y165-T169 HydrophobicContact CE1-CG2 3.55Å; Y165-T169 HydrophobicContact CE2-CG2 4.34Å; Y165-T169 WeakPolarHBondContact O-CB 3.47Å; Y165-T169 WeakPolarHBondContact O-CG2 3.44Å; Y165-T169 PolarHBondContact O-N 2.79Å; Y165-T169 PolarHBondContact O-OG1 3.02Å; L166-T169 PolarHBondContact O-N 3.43Å; L166-T169 PolarHBondContact O-OG1 3.12Å; L166-T169 VanDerWaalsContact O-OG1 3.1Å; T169-S171 PolarHBondContact O-N 3.19Å; T169-K172 PolarHBondContact O-N 3.41Å; T169-Q173 VanDerWaalsContact O-CG 3.32Å; T169-Q173 WeakPolarHBondContact O-CG 3.27Å; T169-Q173 PolarHBondContact O-N 3.24Å; T169-Q173 VanDerWaalsContact O-N 3.07Å
170	Y	96	Very high	86.9	Confident	29 Å²	29	82.2 Å²	82.2	11%	0.114	44%	0.441	C	S	.	.	H	α-helix	trans	-58.1	-48.4	174.8	-176.9	-90.6	0	0	0	111.4	L77 R78 Y79 T100 L166 K172 Q173 V174	L77-Y170 HydrophobicContact CB-CE2 4.4Å; L77-Y170 HydrophobicContact CD1-CD2 4.42Å; L77-Y170 HydrophobicContact CD1-CG 4.38Å; L77-Y170 HydrophobicContact CD2-CD1 3.8Å; L77-Y170 HydrophobicContact CD2-CE1 4Å; L77-Y170 HydrophobicContact CD2-CG 4.11Å; R78-Y170 PolarHBondContact N-OH 3.45Å; R78-Y170 WeakPolarHBondContact O-CE2 3.31Å; R78-Y170 PolarHBondContact O-OH 3.26Å; Y79-Y170 HydrophobicContact CD1-CE2 4.32Å; Y79-Y170 AromaticContact CE1-CD2 3.91Å; Y79-Y170 HydrophobicContact CE1-CD2 3.91Å; Y79-Y170 AromaticContact CE1-CE2 3.78Å; Y79-Y170 HydrophobicContact CE1-CE2 3.78Å; Y79-Y170 AromaticContact CZ-CE2 3.95Å; T100-Y170 HydrophobicContact CG2-CE2 3.96Å; L166-Y170 WeakPolarHBondContact O-CB 3.34Å; L166-Y170 PolarHBondContact O-N 2.95Å; Y170-K172 PolarHBondContact O-N 2.78Å; Y170-Q173 PolarHBondContact O-N 2.89Å; Y170-V174 HydrophobicContact CD1-CG2 3.98Å; Y170-V174 HydrophobicContact CD2-CG2 4.41Å; Y170-V174 HydrophobicContact CE1-CG2 3.62Å; Y170-V174 HydrophobicContact CE2-CG2 4.1Å; Y170-V174 HydrophobicContact CG-CG2 4.37Å; Y170-V174 WeakPolarHBondContact O-CG2 3.25Å; Y170-V174 PolarHBondContact O-N 2.9Å
171	S	93.3	Very high	86.3	Confident	67 Å²	67	80.4 Å²	80.4	47%	0.469	43%	0.427	S	S	.	.	H	α-helix	trans	-60.5	-45	-179.7	-56.9	0	0	0	0	111.8	Q167 T169 Q173 V174 S175	Q167-S171 WeakPolarHBondContact O-CB 3.38Å; Q167-S171 PolarHBondContact O-N 2.97Å; Q167-S171 PolarHBondContact O-OG 2.71Å; T169-S171 PolarHBondContact O-N 3.19Å; S171-Q173 VanDerWaalsContact C-N 3.32Å; S171-Q173 PolarHBondContact O-N 2.83Å; S171-V174 PolarHBondContact O-N 2.8Å; S171-S175 WeakPolarHBondContact O-CB 3.3Å; S171-S175 PolarHBondContact O-N 2.92Å; S171-S175 PolarHBondContact O-OG 3.43Å; S171-S175 VanDerWaalsContact O-OG 3.1Å
172	K	91.3	Very high	85.7	Confident	138 Å²	138	82.9 Å²	82.9	60%	0.6	44%	0.435	S	S	*	.	H	α-helix	trans	-59.3	-42.8	176.9	-72.4	169.4	-174.8	173.4	0	112.1	E168 T169 Y170 S176	E168-K172 WeakPolarHBondContact O-CD 3.49Å; E168-K172 VanDerWaalsContact O-CG 3.27Å; E168-K172 WeakPolarHBondContact O-CG 3.38Å; E168-K172 PolarHBondContact O-N 3.46Å; T169-K172 PolarHBondContact O-N 3.41Å; Y170-K172 PolarHBondContact O-N 2.78Å; K172-S176 PolarHBondContact O-N 3.14Å; K172-S176 PolarHBondContact O-OG 2.64Å
173	Q	86.8	Confident	84.9	Confident	73 Å²	73	87.8 Å²	87.8	34%	0.341	46%	0.461	S	S	.	.	H	α-helix	trans	-71.9	-42.8	-177.7	-71.7	169.5	-24.4	0	0	112.4	T169 Y170 S171 S176 Q177	T169-Q173 VanDerWaalsContact O-CG 3.32Å; T169-Q173 WeakPolarHBondContact O-CG 3.27Å; T169-Q173 PolarHBondContact O-N 3.24Å; T169-Q173 VanDerWaalsContact O-N 3.07Å; Y170-Q173 PolarHBondContact O-N 2.89Å; S171-Q173 VanDerWaalsContact C-N 3.32Å; S171-Q173 PolarHBondContact O-N 2.83Å; Q173-S176 PolarHBondContact O-N 2.98Å; Q173-Q177 WeakPolarHBondContact O-CG 3.26Å; Q173-Q177 PolarHBondContact O-N 2.73Å
174	V	82.5	Confident	84	Confident	46 Å²	46	89.2 Å²	89.2	28%	0.279	47%	0.472	S	S	.	.	H	α-helix	trans	-68.6	-42.6	179.4	176.2	0	0	0	0	111.4	Y170 S171 S176 Q177 E178	Y170-V174 HydrophobicContact CD1-CG2 3.98Å; Y170-V174 HydrophobicContact CD2-CG2 4.41Å; Y170-V174 HydrophobicContact CE1-CG2 3.62Å; Y170-V174 HydrophobicContact CE2-CG2 4.1Å; Y170-V174 HydrophobicContact CG-CG2 4.37Å; Y170-V174 WeakPolarHBondContact O-CG2 3.25Å; Y170-V174 PolarHBondContact O-N 2.9Å; S171-V174 PolarHBondContact O-N 2.8Å; V174-S176 PolarHBondContact O-N 3.3Å; V174-Q177 PolarHBondContact O-N 3.32Å; V174-E178 PolarHBondContact O-N 2.99Å
175	S	79.6	Confident	83.1	Confident	88 Å²	88	86.3 Å²	86.3	62%	0.615	47%	0.465	S	S	*	.	H	α-helix	trans	-61.9	-23.5	175	-64	0	0	0	0	113.6	S171	S171-S175 WeakPolarHBondContact O-CB 3.3Å; S171-S175 PolarHBondContact O-N 2.92Å; S171-S175 PolarHBondContact O-OG 3.43Å; S171-S175 VanDerWaalsContact O-OG 3.1Å
176	S	73.1	Confident	82	Confident	100 Å²	100	85.8 Å²	85.8	70%	0.699	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.9	178	-55.1	0	0	0	0	113.2	K172 Q173 V174	K172-S176 PolarHBondContact O-N 3.14Å; K172-S176 PolarHBondContact O-OG 2.64Å; Q173-S176 PolarHBondContact O-N 2.98Å; V174-S176 PolarHBondContact O-N 3.3Å
177	Q	61.4	Low	80.8	Confident	116 Å²	116	92.3 Å²	92.3	54%	0.542	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-3.8	-178.2	-71.6	-177.9	12.3	0	0	113.3	Q173 V174	Q173-Q177 WeakPolarHBondContact O-CG 3.26Å; Q173-Q177 PolarHBondContact O-N 2.73Å; V174-Q177 PolarHBondContact O-N 3.32Å
178	E	50.6	Low	79.4	Confident	154 Å²	154	93.7 Å²	93.7	72%	0.72	52%	0.52	S	S	*	.			trans	-77.9	129.4	167.5	-69.4	-164.8	136.1	0	0	109.6	V174	V174-E178 PolarHBondContact O-N 2.99Å
179	P	48.1	Very low	77.9	Confident	201 Å²	201	94.3 Å²	94.3	100%	1.305	53%	0.531	S	S	*	.			trans	-69.2	0	178	28.9	-33.7	0	0	0	113.4

Retrieved 179 of 179 residues in 766.3 ms (Link to these results)

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