A0A096N971_PAPAN Loading...

E2 NEDD8-conjugating enzyme

Accepts the ubiquitin-like protein NEDD8 from the UBA3-NAE1 E1 complex and catalyzes its covalent attachment to other proteins. Together with the E3 ubiquitin ligase RNF7/RBX2, specifically neddylates cullin-5 (CUL5). Does not neddylate CUL1, CUL2, CUL3, CUL4A or CUL4B. Mediates neddylation of the CUL9-RBX1 complex.

AlphaFold DB , UniProt , Accession A0A096N971, Species PAPAN (Papio anubis, Olive baboon), Gene UBE2F, Length 185 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	40.3	Very low	54.2	Low	238 Å²	238	96.5 Å²	96.5	100%	1.172	48%	0.482	S	S	*	.				0	129.9	0	-70.4	-172.1	-119.8	0	0	108.4	T3	M1-T3 PolarHBondContact O-N 3.29Å
2	L	42.2	Very low	54	Low	107 Å²	107	101.4 Å²	101.4	56%	0.56	51%	0.511	S	S	*	.			trans	-87.7	103	-174.7	-70.8	163.5	0	0	0	109.7	S6	L2-S6 VanDerWaalsContact C-OG 3.32Å; L2-S6 WeakPolarHBondContact CA-OG 3.36Å
3	T	57.5	Low	53.4	Low	69 Å²	69	98.5 Å²	98.5	42%	0.423	52%	0.522	S	S	.	.			trans	-71.3	160.5	177.6	59.4	0	0	0	0	111.7	M1 A5 S6 K7	M1-T3 PolarHBondContact O-N 3.29Å; T3-A5 PolarHBondContact O-N 3.06Å; T3-S6 PolarHBondContact N-OG 3.46Å; T3-S6 VanDerWaalsContact N-OG 3.14Å; T3-S6 WeakPolarHBondContact O-CA 3.43Å; T3-S6 WeakPolarHBondContact O-CB 3.33Å; T3-S6 PolarHBondContact O-N 3.21Å; T3-S6 PolarHBondContact O-OG 3.28Å; T3-K7 PolarHBondContact O-N 2.86Å
4	L	59.3	Low	53.1	Low	30 Å²	30	102.1 Å²	102.1	16%	0.157	54%	0.541	C	S	.	.	H	α-helix	trans	-56.8	-34.6	178.7	-158.4	127.4	0	0	0	112.4	S6 K7 L8 D34 V38 N60 L62	L4-S6 VanDerWaalsContact C-N 3.3Å; L4-S6 PolarHBondContact O-N 3.17Å; L4-K7 WeakPolarHBondContact O-CB 3.41Å; L4-K7 PolarHBondContact O-N 3.08Å; L4-L8 HydrophobicContact CD2-CD1 4.32Å; L4-L8 PolarHBondContact O-N 3.36Å; L4-L8 VanDerWaalsContact O-N 3.13Å; L4-D34 HydrophobicContact CD2-CB 4.4Å; L4-V38 HydrophobicContact CD2-CG2 3.62Å; L4-N60 WeakPolarHBondContact CD1-O 3.43Å; L4-L62 HydrophobicContact CB-CD1 4.45Å; L4-L62 HydrophobicContact CD2-CD1 4.06Å
5	A	58.8	Low	52.7	Low	47 Å²	47	109.7 Å²	109.7	39%	0.388	57%	0.567	S	S	.	*	H	α-helix	trans	-58.9	-36.5	170.8	0	0	0	0	0	113.5	T3 K7 L8 K9	T3-A5 PolarHBondContact O-N 3.06Å; A5-K7 VanDerWaalsContact C-N 3.3Å; A5-K7 PolarHBondContact O-N 3.14Å; A5-L8 PolarHBondContact O-N 2.6Å; A5-K9 PolarHBondContact O-N 3.48Å
6	S	56.3	Low	52.1	Low	32 Å²	32	107.5 Å²	107.5	22%	0.224	58%	0.58	C	S	.	*	H	α-helix	trans	-74.4	-18.1	175.7	77.6	0	0	0	0	113.7	L2 T3 L4 R10	L2-S6 VanDerWaalsContact C-OG 3.32Å; L2-S6 WeakPolarHBondContact CA-OG 3.36Å; T3-S6 PolarHBondContact N-OG 3.46Å; T3-S6 VanDerWaalsContact N-OG 3.14Å; T3-S6 WeakPolarHBondContact O-CA 3.43Å; T3-S6 WeakPolarHBondContact O-CB 3.33Å; T3-S6 PolarHBondContact O-N 3.21Å; T3-S6 PolarHBondContact O-OG 3.28Å; L4-S6 VanDerWaalsContact C-N 3.3Å; L4-S6 PolarHBondContact O-N 3.17Å; S6-R10 PolarHBondContact O-NE 3.48Å
7	K	57.8	Low	51.2	Low	120 Å²	120	108.6 Å²	108.6	52%	0.522	60%	0.598	S	S	.	*	H	α-helix	trans	-80.8	-39.6	172.2	-68.4	-178.7	177.8	174.8	0	110.8	T3 L4 A5 R10	T3-K7 PolarHBondContact O-N 2.86Å; L4-K7 WeakPolarHBondContact O-CB 3.41Å; L4-K7 PolarHBondContact O-N 3.08Å; A5-K7 VanDerWaalsContact C-N 3.3Å; A5-K7 PolarHBondContact O-N 3.14Å; K7-R10 PolarHBondContact O-N 3.3Å
8	L	59	Low	50.9	Low	32 Å²	32	116.1 Å²	116.1	17%	0.168	62%	0.615	C	S	.	*	H	α-helix	trans	-60.7	-46.8	174	-76.4	160	0	0	0	113	L4 A5 R10 D11 V30 K35 V38	L4-L8 HydrophobicContact CD2-CD1 4.32Å; L4-L8 PolarHBondContact O-N 3.36Å; L4-L8 VanDerWaalsContact O-N 3.13Å; A5-L8 PolarHBondContact O-N 2.6Å; L8-R10 PolarHBondContact O-N 3.05Å; L8-R10 VanDerWaalsContact O-N 3.17Å; L8-D11 PolarHBondContact O-N 3.2Å; L8-D11 VanDerWaalsContact O-N 3.08Å; L8-V30 HydrophobicContact CD2-CB 4.17Å; L8-V30 HydrophobicContact CD2-CG1 3.56Å; L8-V30 HydrophobicContact CD2-CG2 3.98Å; L8-K35 HydrophobicContact CD2-CG 4.28Å; L8-V38 HydrophobicContact CD1-CB 3.66Å; L8-V38 HydrophobicContact CD1-CG1 3.73Å; L8-V38 HydrophobicContact CD1-CG2 3.25Å
9	K	56.8	Low	50.2	Low	177 Å²	177	117.6 Å²	117.6	77%	0.77	63%	0.63	S	S	*	*	H	α-helix	trans	-61.8	-23	178.3	-79.9	-172.7	177.5	-177.6	0	114.2	A5	A5-K9 PolarHBondContact O-N 3.48Å
10	R	55.3	Low	50.2	Low	126 Å²	126	117.1 Å²	117.1	48%	0.475	64%	0.643	S	S	.	*	H	α-helix	trans	-79.2	-26.2	176.7	-84.7	-177.7	-84.7	-179.3	-3.3	112.7	S6 K7 L8 L14	S6-R10 PolarHBondContact O-NE 3.48Å; K7-R10 PolarHBondContact O-N 3.3Å; L8-R10 PolarHBondContact O-N 3.05Å; L8-R10 VanDerWaalsContact O-N 3.17Å; R10-L14 WeakPolarHBondContact O-CD1 3.44Å
11	D	53.3	Low	49.7	Very low	83 Å²	83	116.3 Å²	116.3	44%	0.444	65%	0.652	S	S	.	*	H	α-helix	trans	-75.1	-32.8	-179.5	-145.2	54.7	0	0	0	111.8	L8 G13	L8-D11 PolarHBondContact O-N 3.2Å; L8-D11 VanDerWaalsContact O-N 3.08Å; D11-G13 PolarHBondContact O-N 2.75Å
12	D	51.1	Low	49.9	Very low	156 Å²	156	112 Å²	112	83%	0.834	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-14.1	177.7	-83.8	-25.6	0	0	0	114.2
13	G	46.4	Very low	49.7	Very low	63 Å²	63	111.1 Å²	111.1	65%	0.649	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-9.7	-174.3	0	0	0	0	0	116.3	D11	D11-G13 PolarHBondContact O-N 2.75Å
14	L	49.8	Very low	49.1	Very low	149 Å²	149	113.8 Å²	113.8	78%	0.78	67%	0.669	S	S	*	*			trans	-104.1	76.7	-175.6	-79.5	102.3	0	0	0	112.6	R10	R10-L14 WeakPolarHBondContact O-CD1 3.44Å
15	K	46.7	Very low	48.4	Very low	216 Å²	216	118.7 Å²	118.7	94%	0.939	70%	0.695	S	S	*	*			trans	-118.6	89.4	153.7	-84.5	-175.5	177.4	175.9	0	109.2
16	G	43.5	Very low	47.8	Very low	75 Å²	75	120.8 Å²	120.8	77%	0.773	71%	0.707	S	S	*	*	S	Bend	trans	167.9	115.5	169.9	0	0	0	0	0	115.4
17	S	36.7	Very low	47.7	Very low	126 Å²	126	124.6 Å²	124.6	88%	0.881	73%	0.729	S	S	*	*			trans	83.4	119.6	161.3	-147.8	0	0	0	0	119.1
18	R	45.9	Very low	47.9	Very low	243 Å²	243	129.9 Å²	129.9	92%	0.917	75%	0.746	S	S	*	*			trans	-87.4	130.3	173.5	-77.2	175.5	170.2	174	-3.8	110
19	T	37.7	Very low	48.7	Very low	145 Å²	145	139 Å²	139	89%	0.89	78%	0.778	S	S	*	*			trans	-154.1	138.5	145.2	29.5	0	0	0	0	109.6
20	A	50.1	Low	49.9	Very low	107 Å²	107	132 Å²	132	88%	0.884	75%	0.75	S	S	*	*			trans	-83.2	135.2	-173.4	0	0	0	0	0	112.7
21	A	38.9	Very low	51.6	Low	102 Å²	102	128 Å²	128	84%	0.843	74%	0.741	S	S	*	*			trans	-168.2	148.9	145.3	0	0	0	0	0	109.9
22	T	44.4	Very low	53.6	Low	147 Å²	147	128.9 Å²	128.9	90%	0.902	75%	0.75	S	S	*	*			trans	-64.2	119.8	-169	46.1	0	0	0	0	115.3
23	A	38.9	Very low	55.8	Low	89 Å²	89	122.7 Å²	122.7	74%	0.736	71%	0.714	S	S	*	*			trans	-157.1	140.5	143.3	0	0	0	0	0	106.9	D25	A23-D25 PolarHBondContact O-N 2.96Å
24	S	45.3	Very low	58.1	Low	125 Å²	125	121.3 Å²	121.3	87%	0.874	69%	0.692	S	S	*	*			trans	-67.3	69.7	173.9	163.6	0	0	0	0	110.2
25	D	44.2	Very low	60.2	Low	132 Å²	132	119.6 Å²	119.6	71%	0.706	68%	0.679	S	S	*	*			trans	-105.9	80.4	166.3	-161.4	22.3	0	0	0	107	A23 T27	A23-D25 PolarHBondContact O-N 2.96Å; D25-T27 PolarHBondContact O-N 3.2Å
26	S	46	Very low	62.6	Low	92 Å²	92	111.7 Å²	111.7	64%	0.643	65%	0.646	S	S	*	*			trans	-64.7	95.1	165	49.1	0	0	0	0	106.3	R28	S26-R28 PolarHBondContact O-N 3.41Å
27	T	53.4	Low	65.2	Low	111 Å²	111	108.1 Å²	108.1	68%	0.681	61%	0.61	S	S	*	*			trans	-50.6	94.4	162.9	40.2	0	0	0	0	106.7	D25 R29	D25-T27 PolarHBondContact O-N 3.2Å; T27-R29 PolarHBondContact O-N 3.2Å
28	R	63.1	Low	68	Low	231 Å²	231	104.1 Å²	104.1	87%	0.872	58%	0.58	S	S	*	*			trans	-71.8	96.9	-168	-154.6	176.8	-172.1	175.3	1.6	105.7	S26 V30	S26-R28 PolarHBondContact O-N 3.41Å; R28-V30 PolarHBondContact O-N 3.43Å; R28-V30 VanDerWaalsContact O-N 3.08Å
29	R	76.4	Confident	70.3	Confident	224 Å²	224	99.1 Å²	99.1	85%	0.845	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-46	119.9	-179.9	-168.1	177.7	-174.8	179.2	0.1	108.2	T27 S31	T27-R29 PolarHBondContact O-N 3.2Å; R29-S31 PolarHBondContact O-N 3.33Å
30	V	80.8	Confident	73.2	Confident	29 Å²	29	92.8 Å²	92.8	18%	0.176	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-58.6	127.3	-177	178.5	0	0	0	0	108.9	L8 R28 D34 K35	L8-V30 HydrophobicContact CD2-CB 4.17Å; L8-V30 HydrophobicContact CD2-CG1 3.56Å; L8-V30 HydrophobicContact CD2-CG2 3.98Å; R28-V30 PolarHBondContact O-N 3.43Å; R28-V30 VanDerWaalsContact O-N 3.08Å; V30-D34 HydrophobicContact CG1-CB 3.79Å; V30-K35 HydrophobicContact CB-CG 4.37Å; V30-K35 HydrophobicContact CG1-CG 3.65Å
31	S	92.1	Very high	75.4	Confident	42 Å²	42	88.3 Å²	88.3	29%	0.294	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-63.8	157.2	-179.1	75.4	0	0	0	0	111.6	R29 R33 D34 K35	R29-S31 PolarHBondContact O-N 3.33Å; S31-R33 VanDerWaalsContact C-N 3.29Å; S31-R33 PolarHBondContact O-N 3.13Å; S31-D34 PolarHBondContact O-N 2.88Å; S31-D34 WeakPolarHBondContact OG-CB 2.84Å; S31-D34 PolarHBondContact OG-N 3.06Å; S31-D34 VanDerWaalsContact OG-N 3.1Å; S31-D34 PolarHBondContact OG-OD1 3.01Å; S31-D34 PolarHBondContact OG-OD2 2.87Å; S31-K35 PolarHBondContact O-N 3.03Å
32	V	94.7	Very high	78	Confident	103 Å²	103	86.1 Å²	86.1	62%	0.624	47%	0.469	S	S	*	.	H	α-helix	trans	-58.6	-44.8	176.1	175.1	0	0	0	0	110.3	D34 K35 L36	V32-D34 PolarHBondContact O-N 2.77Å; V32-K35 PolarHBondContact O-N 3.46Å; V32-L36 HydrophobicContact CG1-CD1 4.09Å; V32-L36 HydrophobicContact CG1-CG 4.49Å; V32-L36 WeakPolarHBondContact O-CG 3.37Å; V32-L36 PolarHBondContact O-N 3.01Å; V32-L36 VanDerWaalsContact O-N 3.07Å
33	R	96.5	Very high	80.3	Confident	25 Å²	25	83.1 Å²	83.1	9%	0.094	44%	0.444	C	S	.	.	H	α-helix	trans	-51.1	-53.6	173.5	178.4	-171.3	73.1	-158.6	-20.4	111.4	S31 K35 L36 L37 V87 P88 D89 Y91	S31-R33 VanDerWaalsContact C-N 3.29Å; S31-R33 PolarHBondContact O-N 3.13Å; R33-K35 VanDerWaalsContact C-N 3.25Å; R33-K35 PolarHBondContact O-N 3.11Å; R33-L36 WeakPolarHBondContact O-CB 3.3Å; R33-L36 PolarHBondContact O-N 3.49Å; R33-L36 VanDerWaalsContact O-N 3.08Å; R33-L37 HydrophobicContact CG-CD1 3.59Å; R33-L37 HydrophobicContact CG-CG 3.94Å; R33-L37 VanDerWaalsContact O-CG 3.32Å; R33-L37 WeakPolarHBondContact O-CG 3.49Å; R33-L37 PolarHBondContact O-N 3.27Å; R33-V87 WeakPolarHBondContact CD-O 3.48Å; R33-V87 HydrophobicContact CG-CG1 4.06Å; R33-V87 PolarHBondContact NH1-O 3.34Å; R33-P88 VanDerWaalsContact CD-O 3.26Å; R33-P88 WeakPolarHBondContact CD-O 3.48Å; R33-D89 IonicContact CZ-OD1 3.82Å; R33-D89 IonicContact NH1-OD1 2.84Å; R33-D89 PolarHBondContact NH1-OD1 3.05Å; R33-D89 IonicContact NH2-OD1 3.02Å; R33-D89 PolarHBondContact NH2-OD1 3.39Å; R33-Y91 HydrophobicContact CG-CD1 4.16Å; R33-Y91 HydrophobicContact CG-CG 4.46Å
34	D	94.7	Very high	82.9	Confident	34 Å²	34	78.9 Å²	78.9	18%	0.182	41%	0.409	C	S	.	.	H	α-helix	trans	-65.5	-32	-173	-58.6	-29.3	0	0	0	111.9	L4 V30 S31 V32 V38	L4-D34 HydrophobicContact CD2-CB 4.4Å; V30-D34 HydrophobicContact CG1-CB 3.79Å; S31-D34 PolarHBondContact O-N 2.88Å; S31-D34 WeakPolarHBondContact OG-CB 2.84Å; S31-D34 PolarHBondContact OG-N 3.06Å; S31-D34 VanDerWaalsContact OG-N 3.1Å; S31-D34 PolarHBondContact OG-OD1 3.01Å; S31-D34 PolarHBondContact OG-OD2 2.87Å; V32-D34 PolarHBondContact O-N 2.77Å; D34-V38 PolarHBondContact O-N 3.37Å
35	K	94.9	Very high	85.1	Confident	114 Å²	114	78.4 Å²	78.4	50%	0.496	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-43.3	172.8	-67.1	-176.9	-177	-169	0	112	L8 V30 S31 V32 R33	L8-K35 HydrophobicContact CD2-CG 4.28Å; V30-K35 HydrophobicContact CB-CG 4.37Å; V30-K35 HydrophobicContact CG1-CG 3.65Å; S31-K35 PolarHBondContact O-N 3.03Å; V32-K35 PolarHBondContact O-N 3.46Å; R33-K35 VanDerWaalsContact C-N 3.25Å; R33-K35 PolarHBondContact O-N 3.11Å
36	L	97	Very high	87.5	Confident	49 Å²	49	76 Å²	76	26%	0.257	39%	0.391	S	S	.	.	H	α-helix	trans	-63.9	-48.6	176.5	-67.7	171.8	0	0	0	110.7	V32 R33 V38 K39 E40 Y91 N92	V32-L36 HydrophobicContact CG1-CD1 4.09Å; V32-L36 HydrophobicContact CG1-CG 4.49Å; V32-L36 WeakPolarHBondContact O-CG 3.37Å; V32-L36 PolarHBondContact O-N 3.01Å; V32-L36 VanDerWaalsContact O-N 3.07Å; R33-L36 WeakPolarHBondContact O-CB 3.3Å; R33-L36 PolarHBondContact O-N 3.49Å; R33-L36 VanDerWaalsContact O-N 3.08Å; L36-V38 VanDerWaalsContact C-N 3.31Å; L36-V38 PolarHBondContact O-N 3.46Å; L36-K39 PolarHBondContact O-N 3.08Å; L36-E40 WeakPolarHBondContact O-CG 3.33Å; L36-E40 PolarHBondContact O-N 2.69Å; L36-Y91 HydrophobicContact CB-CD1 4.35Å; L36-Y91 HydrophobicContact CB-CE1 3.96Å; L36-Y91 HydrophobicContact CD1-CD1 3.97Å; L36-Y91 HydrophobicContact CD1-CE1 3.92Å; L36-N92 HydrophobicContact CD1-CB 3.97Å
37	L	97.6	Very high	89.8	Confident	1 Å²	1	75 Å²	75	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-58.9	-37.7	-177.6	-72	179.3	0	0	0	113.4	R33 K39 E40 V41 L62 H63 V87 L136	R33-L37 HydrophobicContact CG-CD1 3.59Å; R33-L37 HydrophobicContact CG-CG 3.94Å; R33-L37 VanDerWaalsContact O-CG 3.32Å; R33-L37 WeakPolarHBondContact O-CG 3.49Å; R33-L37 PolarHBondContact O-N 3.27Å; L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 3.46Å; L37-E40 PolarHBondContact O-N 2.88Å; L37-V41 VanDerWaalsContact O-CB 3.23Å; L37-V41 WeakPolarHBondContact O-CB 3.17Å; L37-V41 WeakPolarHBondContact O-CG2 3.49Å; L37-V41 PolarHBondContact O-N 2.76Å; L37-L62 HydrophobicContact CB-CB 4.18Å; L37-L62 HydrophobicContact CD1-CB 4.28Å; L37-H63 HydrophobicContact CD1-CB 3.71Å; L37-V87 HydrophobicContact CD2-CB 4.35Å; L37-V87 HydrophobicContact CD2-CG1 4.14Å; L37-V87 HydrophobicContact CD2-CG2 4.06Å; L37-L136 HydrophobicContact CD2-CD1 3.65Å; L37-L136 HydrophobicContact CD2-CG 4.43Å
38	V	95	Very high	91.8	Very high	42 Å²	42	71.8 Å²	71.8	26%	0.255	36%	0.357	S	S	.	.	H	α-helix	trans	-64.2	-35.1	177.9	166.8	0	0	0	0	112.7	L4 L8 D34 L36 L62	L4-V38 HydrophobicContact CD2-CG2 3.62Å; L8-V38 HydrophobicContact CD1-CB 3.66Å; L8-V38 HydrophobicContact CD1-CG1 3.73Å; L8-V38 HydrophobicContact CD1-CG2 3.25Å; D34-V38 PolarHBondContact O-N 3.37Å; L36-V38 VanDerWaalsContact C-N 3.31Å; L36-V38 PolarHBondContact O-N 3.46Å; V38-L62 HydrophobicContact CG2-CD1 3.59Å
39	K	95.5	Very high	93.4	Very high	137 Å²	137	61.2 Å²	61.2	60%	0.596	32%	0.319	S	S	*	.	H	α-helix	trans	-76	-50.2	175.1	-176.9	179.9	169.3	-174	0	110.9	L36 L37 V41 A42 E43	L36-K39 PolarHBondContact O-N 3.08Å; L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 3.46Å; K39-V41 PolarHBondContact O-N 2.88Å; K39-A42 PolarHBondContact O-N 2.85Å; K39-E43 WeakPolarHBondContact CE-OE1 3.48Å; K39-E43 IonicContact NZ-OE1 2.89Å; K39-E43 WeakPolarHBondContact O-CG 3.23Å; K39-E43 PolarHBondContact O-N 3.07Å
40	E	97.6	Very high	94.4	Very high	13 Å²	13	56.4 Å²	56.4	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-67.9	-35.2	-173.7	-71.5	-171.8	-130.8	0	0	113.6	L36 L37 E43 L44 Y91 T135 L136	L36-E40 WeakPolarHBondContact O-CG 3.33Å; L36-E40 PolarHBondContact O-N 2.69Å; L37-E40 PolarHBondContact O-N 2.88Å; E40-E43 PolarHBondContact O-N 3.08Å; E40-L44 WeakPolarHBondContact O-CB 3.49Å; E40-L44 PolarHBondContact O-N 3.25Å; E40-Y91 WeakPolarHBondContact OE1-CE1 3.49Å; E40-Y91 PolarHBondContact OE1-OH 2.87Å; E40-Y91 PolarHBondContact OE2-OH 3.29Å; E40-T135 HydrophobicContact CG-CG2 4.45Å; E40-T135 VanDerWaalsContact OE2-CA 3.27Å; E40-T135 WeakPolarHBondContact OE2-CA 3.48Å; E40-T135 WeakPolarHBondContact OE2-CB 3.36Å; E40-L136 PolarHBondContact OE2-N 3.41Å
41	V	95.9	Very high	95.2	Very high	12 Å²	12	55.7 Å²	55.7	7%	0.073	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-41.9	176.3	169	0	0	0	0	111	L37 K39 E43 L44 E45 F56 L62 L136	L37-V41 VanDerWaalsContact O-CB 3.23Å; L37-V41 WeakPolarHBondContact O-CB 3.17Å; L37-V41 WeakPolarHBondContact O-CG2 3.49Å; L37-V41 PolarHBondContact O-N 2.76Å; K39-V41 PolarHBondContact O-N 2.88Å; V41-E43 VanDerWaalsContact C-N 3.33Å; V41-E43 PolarHBondContact O-N 3.27Å; V41-L44 WeakPolarHBondContact O-CB 3.48Å; V41-L44 PolarHBondContact O-N 3.23Å; V41-E45 WeakPolarHBondContact O-CG 3.44Å; V41-E45 PolarHBondContact O-N 3.28Å; V41-F56 HydrophobicContact CB-CZ 4.16Å; V41-F56 HydrophobicContact CG1-CE1 4.24Å; V41-F56 HydrophobicContact CG1-CE2 3.57Å; V41-F56 HydrophobicContact CG1-CZ 3.36Å; V41-F56 HydrophobicContact CG2-CE1 4.05Å; V41-F56 HydrophobicContact CG2-CZ 3.66Å; V41-L62 HydrophobicContact CG2-CB 4.46Å; V41-L136 HydrophobicContact CG2-CD1 4.2Å
42	A	93.5	Very high	95.5	Very high	57 Å²	57	54 Å²	54	47%	0.471	30%	0.302	S	S	.	.	H	α-helix	trans	-64.2	-40.5	176.3	0	0	0	0	0	111.7	K39 A46	K39-A42 PolarHBondContact O-N 2.85Å; A42-A46 PolarHBondContact O-N 3.17Å
43	E	93.7	Very high	95.6	Very high	83 Å²	83	56.4 Å²	56.4	39%	0.388	30%	0.304	S	S	.	.	H	α-helix	trans	-67.3	-39.2	174.2	-72.3	176.6	-179.4	0	0	111.9	K39 E40 V41 A46 N47	K39-E43 WeakPolarHBondContact CE-OE1 3.48Å; K39-E43 IonicContact NZ-OE1 2.89Å; K39-E43 WeakPolarHBondContact O-CG 3.23Å; K39-E43 PolarHBondContact O-N 3.07Å; E40-E43 PolarHBondContact O-N 3.08Å; V41-E43 VanDerWaalsContact C-N 3.33Å; V41-E43 PolarHBondContact O-N 3.27Å; E43-A46 PolarHBondContact O-N 3.39Å; E43-N47 WeakPolarHBondContact O-CB 3.2Å; E43-N47 PolarHBondContact O-N 3.44Å; E43-N47 PolarHBondContact O-ND2 2.73Å
44	L	93.9	Very high	95.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-54.7	178.4	177.3	65.1	0	0	0	110.7	E40 V41 A46 N47 L48 V54 F65 L136 K137 V140	E40-L44 WeakPolarHBondContact O-CB 3.49Å; E40-L44 PolarHBondContact O-N 3.25Å; V41-L44 WeakPolarHBondContact O-CB 3.48Å; V41-L44 PolarHBondContact O-N 3.23Å; L44-A46 PolarHBondContact O-N 3.23Å; L44-N47 CarbonylContact O-C 3.52Å; L44-N47 PolarHBondContact O-N 3.27Å; L44-L48 HydrophobicContact CD1-CD2 3.65Å; L44-L48 HydrophobicContact CG-CD2 3.95Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 2.93Å; L44-L48 VanDerWaalsContact O-N 3.11Å; L44-V54 HydrophobicContact CD2-CG2 4.07Å; L44-V54 HydrophobicContact CG-CG2 4.43Å; L44-F65 HydrophobicContact CD2-CE2 4.49Å; L44-F65 HydrophobicContact CD2-CZ 4.42Å; L44-L136 HydrophobicContact CD2-CB 4.3Å; L44-K137 HydrophobicContact CD1-CB 4.37Å; L44-V140 HydrophobicContact CD1-CB 3.97Å; L44-V140 HydrophobicContact CD1-CG1 4.45Å; L44-V140 HydrophobicContact CD1-CG2 3.68Å; L44-V140 HydrophobicContact CD2-CG2 4.26Å
45	E	91.4	Very high	95.8	Very high	115 Å²	115	59.9 Å²	59.9	54%	0.537	32%	0.322	S	S	.	.	H	α-helix	trans	-58	-33.6	-178.6	-71.6	-178	156.6	0	0	112.7	V41	V41-E45 WeakPolarHBondContact O-CG 3.44Å; V41-E45 PolarHBondContact O-N 3.28Å
46	A	94.1	Very high	95.9	Very high	81 Å²	81	56 Å²	56	67%	0.669	31%	0.305	S	S	*	.	H	α-helix	trans	-77.9	-17.5	177.3	0	0	0	0	0	114.2	A42 E43 L44	A42-A46 PolarHBondContact O-N 3.17Å; E43-A46 PolarHBondContact O-N 3.39Å; L44-A46 PolarHBondContact O-N 3.23Å
47	N	94.8	Very high	95.8	Very high	72 Å²	72	57.2 Å²	57.2	39%	0.385	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	22.1	-170.6	-67.4	-89.3	0	0	0	113.5	E43 L44 K137 W141	E43-N47 WeakPolarHBondContact O-CB 3.2Å; E43-N47 PolarHBondContact O-N 3.44Å; E43-N47 PolarHBondContact O-ND2 2.73Å; L44-N47 CarbonylContact O-C 3.52Å; L44-N47 PolarHBondContact O-N 3.27Å; N47-K137 HydrophobicContact CB-CD 4.05Å; N47-W141 PolarHBondContact O-NE1 2.89Å
48	L	95.4	Very high	95.6	Very high	43 Å²	43	59.6 Å²	59.6	23%	0.225	33%	0.329	C	S	.	.			trans	-66.1	141	175.4	-72.7	177.6	0	0	0	111.1	L44 C52 V54 V140	L44-L48 HydrophobicContact CD1-CD2 3.65Å; L44-L48 HydrophobicContact CG-CD2 3.95Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 2.93Å; L44-L48 VanDerWaalsContact O-N 3.11Å; L48-C52 HydrophobicContact CB-CB 4.48Å; L48-C52 HydrophobicContact CD2-CB 4.34Å; L48-V54 HydrophobicContact CD1-CB 4.12Å; L48-V54 HydrophobicContact CD1-CG2 3.8Å; L48-V54 HydrophobicContact CD2-CG2 3.71Å; L48-V54 HydrophobicContact CG-CG2 4.38Å; L48-V140 HydrophobicContact CD2-CG1 3.77Å
49	P	95.6	Very high	95.5	Very high	10 Å²	10	61.2 Å²	61.2	7%	0.065	34%	0.34	C	S	.	.			trans	-52.9	147.3	160.6	-21.9	31.3	0	0	0	110.7	T51 C52 W141 N144	P49-T51 PolarHBondContact O-N 2.75Å; P49-T51 VanDerWaalsContact O-N 3.16Å; P49-C52 HydrophobicContact CB-CB 4.19Å; P49-C52 HydrophobicContact CG-CB 4.29Å; P49-C52 WeakPolarHBondContact O-CB 3.37Å; P49-C52 PolarHBondContact O-N 2.9Å; P49-W141 HydrophobicContact CB-CH2 4.38Å; P49-W141 HydrophobicContact CB-CZ2 4.47Å; P49-W141 HydrophobicContact CG-CD2 3.83Å; P49-W141 HydrophobicContact CG-CE3 4.03Å; P49-W141 HydrophobicContact CG-CG 4.41Å; P49-W141 HydrophobicContact CG-CH2 4.02Å; P49-W141 HydrophobicContact CG-CZ2 3.81Å; P49-W141 HydrophobicContact CG-CZ3 4.12Å; P49-N144 HydrophobicContact CG-CB 4.44Å
50	C	96.8	Very high	95.3	Very high	123 Å²	123	58.1 Å²	58.1	83%	0.831	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.6	177.2	55.1	0	0	0	0	113.2	C52	C50-C52 VanDerWaalsContact C-N 3.25Å; C50-C52 PolarHBondContact O-N 3.23Å
51	T	98.1	Very high	95.1	Very high	14 Å²	14	62.4 Å²	62.4	9%	0.086	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-5.1	174.5	52.5	0	0	0	0	113.3	P49 V69 T70 D72 N144	P49-T51 PolarHBondContact O-N 2.75Å; P49-T51 VanDerWaalsContact O-N 3.16Å; T51-V69 CarbonylContact O-C 3.47Å; T51-T70 VanDerWaalsContact CB-O 3.24Å; T51-T70 WeakPolarHBondContact CB-O 3.33Å; T51-T70 WeakPolarHBondContact CG2-O 3.32Å; T51-T70 PolarHBondContact O-N 3.16Å; T51-D72 HydrophobicContact CG2-CB 4.25Å; T51-N144 PolarHBondContact OG1-OD1 2.88Å
52	C	98.4	Very high	95.1	Very high	7 Å²	7	63 Å²	63	5%	0.047	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143.9	-173.6	-71.8	0	0	0	0	112.6	L48 P49 C50 L67 T68 V140	L48-C52 HydrophobicContact CB-CB 4.48Å; L48-C52 HydrophobicContact CD2-CB 4.34Å; P49-C52 HydrophobicContact CB-CB 4.19Å; P49-C52 HydrophobicContact CG-CB 4.29Å; P49-C52 WeakPolarHBondContact O-CB 3.37Å; P49-C52 PolarHBondContact O-N 2.9Å; C50-C52 VanDerWaalsContact C-N 3.25Å; C50-C52 PolarHBondContact O-N 3.23Å; C52-L67 HydrophobicContact CB-CD1 4.07Å; C52-T68 CarbonylContact C-O 3.57Å; C52-T68 WeakPolarHBondContact CA-O 3.21Å; C52-V140 HydrophobicContact CB-CG1 4.28Å
53	K	98.1	Very high	95.3	Very high	153 Å²	153	62.6 Å²	62.6	67%	0.665	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	134.5	170.7	-65.7	-173.7	-179.7	-179.4	0	110.5	L67 T68	K53-L67 CarbonylContact O-C 3.59Å; K53-L67 WeakPolarHBondContact O-CA 3.48Å; K53-T68 PolarHBondContact N-O 3.14Å; K53-T68 PolarHBondContact O-N 2.84Å
54	V	97.6	Very high	95.5	Very high	27 Å²	27	60.4 Å²	60.4	16%	0.164	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.2	176.9	173.9	0	0	0	0	109.9	L44 L48 F56 F65 Q66 L67	L44-V54 HydrophobicContact CD2-CG2 4.07Å; L44-V54 HydrophobicContact CG-CG2 4.43Å; L48-V54 HydrophobicContact CD1-CB 4.12Å; L48-V54 HydrophobicContact CD1-CG2 3.8Å; L48-V54 HydrophobicContact CD2-CG2 3.71Å; L48-V54 HydrophobicContact CG-CG2 4.38Å; V54-F56 HydrophobicContact CG1-CD2 4.04Å; V54-F56 HydrophobicContact CG1-CE2 3.45Å; V54-F56 VanDerWaalsContact CG1-CE2 3.45Å; V54-F56 HydrophobicContact CG1-CZ 3.97Å; V54-F65 HydrophobicContact CG1-CB 4.38Å; V54-F65 HydrophobicContact CG1-CD2 3.79Å; V54-F65 HydrophobicContact CG1-CE2 4.44Å; V54-F65 HydrophobicContact CG1-CG 4.32Å; V54-Q66 CarbonylContact C-O 3.55Å; V54-Q66 WeakPolarHBondContact CA-O 3.49Å; V54-L67 HydrophobicContact CG2-CD1 3.81Å
55	H	97.4	Very high	95.7	Very high	105 Å²	105	60.4 Å²	60.4	49%	0.486	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.1	176.2	175.2	-108	0	0	0	110.1	P57 Q66	H55-P57 WeakPolarHBondContact O-CD 3.33Å; H55-Q66 PolarHBondContact N-O 2.97Å; H55-Q66 PolarHBondContact O-N 2.79Å
56	F	96.6	Very high	96.1	Very high	31 Å²	31	57.5 Å²	57.5	14%	0.136	32%	0.319	C	S	.	.			trans	-107.4	102.8	175	-70	-91.5	0	0	0	109.3	V41 V54 D58 L62 F65	V41-F56 HydrophobicContact CB-CZ 4.16Å; V41-F56 HydrophobicContact CG1-CE1 4.24Å; V41-F56 HydrophobicContact CG1-CE2 3.57Å; V41-F56 HydrophobicContact CG1-CZ 3.36Å; V41-F56 HydrophobicContact CG2-CE1 4.05Å; V41-F56 HydrophobicContact CG2-CZ 3.66Å; V54-F56 HydrophobicContact CG1-CD2 4.04Å; V54-F56 HydrophobicContact CG1-CE2 3.45Å; V54-F56 VanDerWaalsContact CG1-CE2 3.45Å; V54-F56 HydrophobicContact CG1-CZ 3.97Å; F56-D58 PolarHBondContact O-N 2.84Å; F56-L62 HydrophobicContact CD1-CD2 4.19Å; F56-L62 HydrophobicContact CE1-CD2 4.22Å; F56-F65 HydrophobicContact CD1-CB 3.59Å; F56-F65 HydrophobicContact CE1-CB 3.44Å; F56-F65 VanDerWaalsContact CE1-CB 3.44Å; F56-F65 HydrophobicContact CE1-CD1 4.1Å; F56-F65 HydrophobicContact CE1-CG 4.02Å; F56-F65 HydrophobicContact CE2-CB 4.44Å; F56-F65 HydrophobicContact CG-CB 4.16Å; F56-F65 HydrophobicContact CZ-CB 3.87Å; F56-F65 HydrophobicContact CZ-CD1 4.37Å; F56-F65 HydrophobicContact CZ-CG 4.16Å
57	P	95.2	Very high	96.3	Very high	76 Å²	76	53.7 Å²	53.7	49%	0.494	29%	0.287	S	S	.	.	S	Bend	trans	-58.6	-33.5	-179.6	-25.4	34.5	0	0	0	113.5	H55 Q66	H55-P57 WeakPolarHBondContact O-CD 3.33Å; P57-Q66 HydrophobicContact CG-CG 4.4Å
58	D	93.4	Very high	96.5	Very high	51 Å²	51	51.8 Å²	51.8	27%	0.273	28%	0.279	S	S	.	.	S	Bend	trans	-124.5	114.6	171.9	-178	-10.4	0	0	0	109.5	F56 N60 K61	F56-D58 PolarHBondContact O-N 2.84Å; D58-N60 PolarHBondContact O-N 3.44Å; D58-N60 VanDerWaalsContact OD1-CB 3.3Å; D58-N60 WeakPolarHBondContact OD1-CB 3.33Å; D58-N60 PolarHBondContact OD1-N 3.07Å; D58-N60 PolarHBondContact OD1-ND2 2.69Å; D58-K61 HydrophobicContact CB-CB 4.12Å; D58-K61 HydrophobicContact CB-CD 4.11Å; D58-K61 HydrophobicContact CB-CG 4.1Å; D58-K61 PolarHBondContact O-N 2.97Å; D58-K61 WeakPolarHBondContact OD2-CE 3.5Å; D58-K61 WeakPolarHBondContact OD2-CG 3.24Å
59	P	91.6	Very high	96.6	Very high	76 Å²	76	49.8 Å²	49.8	49%	0.494	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.4	-179.1	28.4	-36	0	0	0	113.4
60	N	91.6	Very high	96.8	Very high	71 Å²	71	51.6 Å²	51.6	38%	0.38	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-11.7	173.3	-53.9	-70.5	0	0	0	112.9	L4 D58	L4-N60 WeakPolarHBondContact CD1-O 3.43Å; D58-N60 PolarHBondContact O-N 3.44Å; D58-N60 VanDerWaalsContact OD1-CB 3.3Å; D58-N60 WeakPolarHBondContact OD1-CB 3.33Å; D58-N60 PolarHBondContact OD1-N 3.07Å; D58-N60 PolarHBondContact OD1-ND2 2.69Å
61	K	94.2	Very high	96.9	Very high	104 Å²	104	45.9 Å²	45.9	45%	0.452	24%	0.241	S	C	.	.			trans	-111.6	68.4	-179.2	-64.3	-178.1	-174.7	179.8	0	110.7	D58 H63 C64	D58-K61 HydrophobicContact CB-CB 4.12Å; D58-K61 HydrophobicContact CB-CD 4.11Å; D58-K61 HydrophobicContact CB-CG 4.1Å; D58-K61 PolarHBondContact O-N 2.97Å; D58-K61 WeakPolarHBondContact OD2-CE 3.5Å; D58-K61 WeakPolarHBondContact OD2-CG 3.24Å; K61-H63 PolarHBondContact O-N 3.4Å; K61-H63 VanDerWaalsContact O-N 3.07Å; K61-C64 PolarHBondContact O-N 2.84Å
62	L	96.3	Very high	96.9	Very high	25 Å²	25	49.8 Å²	49.8	13%	0.131	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.2	177.4	-58.8	-175.1	0	0	0	113.7	L4 L37 V38 V41 F56 C64	L4-L62 HydrophobicContact CB-CD1 4.45Å; L4-L62 HydrophobicContact CD2-CD1 4.06Å; L37-L62 HydrophobicContact CB-CB 4.18Å; L37-L62 HydrophobicContact CD1-CB 4.28Å; V38-L62 HydrophobicContact CG2-CD1 3.59Å; V41-L62 HydrophobicContact CG2-CB 4.46Å; F56-L62 HydrophobicContact CD1-CD2 4.19Å; F56-L62 HydrophobicContact CE1-CD2 4.22Å; L62-C64 PolarHBondContact O-N 2.7Å
63	H	97.4	Very high	96.8	Very high	47 Å²	47	54.7 Å²	54.7	22%	0.218	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.6	175	62.7	-91.6	0	0	0	113.1	L37 K61 E86 V87	L37-H63 HydrophobicContact CD1-CB 3.71Å; K61-H63 PolarHBondContact O-N 3.4Å; K61-H63 VanDerWaalsContact O-N 3.07Å; H63-E86 CarbonylContact O-C 3.52Å; H63-E86 WeakPolarHBondContact O-CA 3.25Å; H63-V87 HydrophobicContact CB-CB 4.01Å; H63-V87 PolarHBondContact O-N 3.1Å
64	C	97.8	Very high	96.8	Very high	37 Å²	37	50 Å²	50	25%	0.25	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	117.2	179	-176.2	0	0	0	0	109.7	K61 L62 T85	K61-C64 PolarHBondContact O-N 2.84Å; L62-C64 PolarHBondContact O-N 2.7Å; C64-T85 WeakPolarHBondContact CA-O 3.39Å
65	F	98.3	Very high	96.9	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	160.2	179.9	69.3	-90.4	0	0	0	111.9	L44 V54 F56 L67 T85 L136	L44-F65 HydrophobicContact CD2-CE2 4.49Å; L44-F65 HydrophobicContact CD2-CZ 4.42Å; V54-F65 HydrophobicContact CG1-CB 4.38Å; V54-F65 HydrophobicContact CG1-CD2 3.79Å; V54-F65 HydrophobicContact CG1-CE2 4.44Å; V54-F65 HydrophobicContact CG1-CG 4.32Å; F56-F65 HydrophobicContact CD1-CB 3.59Å; F56-F65 HydrophobicContact CE1-CB 3.44Å; F56-F65 VanDerWaalsContact CE1-CB 3.44Å; F56-F65 HydrophobicContact CE1-CD1 4.1Å; F56-F65 HydrophobicContact CE1-CG 4.02Å; F56-F65 HydrophobicContact CE2-CB 4.44Å; F56-F65 HydrophobicContact CG-CB 4.16Å; F56-F65 HydrophobicContact CZ-CB 3.87Å; F56-F65 HydrophobicContact CZ-CD1 4.37Å; F56-F65 HydrophobicContact CZ-CG 4.16Å; F65-L67 HydrophobicContact CE2-CB 4.37Å; F65-T85 HydrophobicContact CD1-CG2 4.32Å; F65-T85 HydrophobicContact CE1-CG2 3.51Å; F65-T85 HydrophobicContact CE2-CG2 4.47Å; F65-T85 HydrophobicContact CZ-CG2 3.61Å; F65-T85 PolarHBondContact N-O 3.47Å; F65-T85 VanDerWaalsContact N-O 3.1Å; F65-T85 PolarHBondContact O-N 2.92Å; F65-L136 HydrophobicContact CE1-CD1 3.99Å; F65-L136 HydrophobicContact CE1-CD2 4.28Å
66	Q	98.5	Very high	96.9	Very high	54 Å²	54	46.3 Å²	46.3	25%	0.252	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.5	173.5	-69.8	175.9	-12.2	0	0	109.7	V54 H55 P57 F83	V54-Q66 CarbonylContact C-O 3.55Å; V54-Q66 WeakPolarHBondContact CA-O 3.49Å; H55-Q66 PolarHBondContact N-O 2.97Å; H55-Q66 PolarHBondContact O-N 2.79Å; P57-Q66 HydrophobicContact CG-CG 4.4Å; Q66-F83 CarbonylContact C-O 3.59Å; Q66-F83 VanDerWaalsContact CA-O 3.25Å; Q66-F83 WeakPolarHBondContact CA-O 3.42Å
67	L	98.7	Very high	97	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.3	170.9	172.3	73.8	0	0	0	108.2	C52 K53 V54 F65 V69 Q82 F83 V140 L143	C52-L67 HydrophobicContact CB-CD1 4.07Å; K53-L67 CarbonylContact O-C 3.59Å; K53-L67 WeakPolarHBondContact O-CA 3.48Å; V54-L67 HydrophobicContact CG2-CD1 3.81Å; F65-L67 HydrophobicContact CE2-CB 4.37Å; L67-V69 HydrophobicContact CD2-CG2 3.82Å; L67-V69 HydrophobicContact CG-CG2 4.03Å; L67-Q82 CarbonylContact O-C 3.53Å; L67-Q82 WeakPolarHBondContact O-CA 3.38Å; L67-F83 HydrophobicContact CB-CB 4.26Å; L67-F83 HydrophobicContact CD2-CD2 4.4Å; L67-F83 PolarHBondContact N-O 2.78Å; L67-F83 PolarHBondContact O-N 2.77Å; L67-V140 HydrophobicContact CD1-CG1 3.72Å; L67-V140 HydrophobicContact CD1-CG2 4.13Å; L67-V140 HydrophobicContact CD2-CB 4.39Å; L67-V140 HydrophobicContact CD2-CG1 4.07Å; L67-V140 HydrophobicContact CD2-CG2 4.08Å; L67-L143 HydrophobicContact CD2-CB 4.15Å; L67-L143 HydrophobicContact CD2-CD1 3.65Å
68	T	98.8	Very high	97.1	Very high	33 Å²	33	49.5 Å²	49.5	20%	0.202	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124	166.6	-57.8	0	0	0	0	108.6	C52 K53 K80 F81	C52-T68 CarbonylContact C-O 3.57Å; C52-T68 WeakPolarHBondContact CA-O 3.21Å; K53-T68 PolarHBondContact N-O 3.14Å; K53-T68 PolarHBondContact O-N 2.84Å; T68-K80 HydrophobicContact CG2-CB 4.43Å; T68-F81 WeakPolarHBondContact CA-O 3.35Å
69	V	98.8	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.1	170.9	-174.8	0	0	0	0	108.3	T51 L67 P71 F81 F83 N144 F147	T51-V69 CarbonylContact O-C 3.47Å; L67-V69 HydrophobicContact CD2-CG2 3.82Å; L67-V69 HydrophobicContact CG-CG2 4.03Å; V69-P71 HydrophobicContact CG1-CG 4.21Å; V69-F81 PolarHBondContact N-O 2.96Å; V69-F81 PolarHBondContact O-N 3.1Å; V69-F83 HydrophobicContact CB-CE2 4.14Å; V69-F83 HydrophobicContact CG2-CD2 4.02Å; V69-F83 HydrophobicContact CG2-CE2 3.73Å; V69-N144 HydrophobicContact CG1-CB 4.48Å; V69-N144 WeakPolarHBondContact CG1-OD1 3.27Å; V69-F147 HydrophobicContact CB-CE2 4.01Å; V69-F147 HydrophobicContact CG1-CD2 3.79Å; V69-F147 HydrophobicContact CG1-CE2 3.79Å; V69-F147 HydrophobicContact CG2-CE2 4.4Å
70	T	98.8	Very high	97.7	Very high	49 Å²	49	48 Å²	48	30%	0.301	26%	0.262	S	S	.	.			trans	-125.9	87.5	175.3	-51.5	0	0	0	0	108.5	T51 G79 K80	T51-T70 VanDerWaalsContact CB-O 3.24Å; T51-T70 WeakPolarHBondContact CB-O 3.33Å; T51-T70 WeakPolarHBondContact CG2-O 3.32Å; T51-T70 PolarHBondContact O-N 3.16Å; T70-G79 WeakPolarHBondContact CA-O 3.47Å; T70-K80 HydrophobicContact CG2-CG 4.21Å
71	P	98.6	Very high	98	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.019	24%	0.244	C	C	.	.			trans	-59.1	140	179.7	-22	34.3	0	0	0	110.9	V69 Q77 G78 G79 F81 F147	V69-P71 HydrophobicContact CG1-CG 4.21Å; P71-Q77 WeakPolarHBondContact O-CA 3.41Å; P71-G78 PolarHBondContact O-N 3.21Å; P71-G79 WeakPolarHBondContact CD-O 3.33Å; P71-F81 HydrophobicContact CG-CD2 4.25Å; P71-F81 HydrophobicContact CG-CE2 4.11Å; P71-F147 HydrophobicContact CB-CB 4.09Å; P71-F147 HydrophobicContact CG-CB 3.62Å; P71-F147 HydrophobicContact CG-CD1 3.79Å; P71-F147 HydrophobicContact CG-CD2 4.05Å; P71-F147 HydrophobicContact CG-CE1 4.44Å; P71-F147 HydrophobicContact CG-CG 3.54Å
72	D	98.2	Very high	98.3	Very high	95 Å²	95	43.8 Å²	43.8	51%	0.508	24%	0.242	S	C	.	.	S	Bend	trans	-105.8	0.1	178.4	58	-8	0	0	0	113.1	T51 Q77	T51-D72 HydrophobicContact CG2-CB 4.25Å; D72-Q77 WeakPolarHBondContact O-CG 3.33Å; D72-Q77 PolarHBondContact O-NE2 3.49Å
73	E	97.6	Very high	98.4	Very high	111 Å²	111	42.6 Å²	42.6	52%	0.519	24%	0.236	S	C	.	.	S	Bend	trans	-143.2	177	175.4	67.9	179.9	159.8	0	0	112.4	T148	E73-T148 HydrophobicContact CG-CG2 3.82Å
74	G	97.9	Very high	98.4	Very high	53 Å²	53	44.1 Å²	44.1	55%	0.546	24%	0.243	S	C	.	.	S	Bend	trans	72.3	-165.3	175.2	0	0	0	0	0	114.6	Y76 Q77	G74-Y76 PolarHBondContact O-N 3.08Å; G74-Q77 PolarHBondContact O-N 3.07Å
75	Y	98.5	Very high	98.5	Very high	55 Å²	55	42.3 Å²	42.3	22%	0.216	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.2	-177.2	-65.9	-60.8	0	0	0	113.8	L151 F153 H165 F172 R173 V176	Y75-L151 HydrophobicContact CD2-CD2 3.68Å; Y75-L151 HydrophobicContact CE2-CD2 4.06Å; Y75-F153 HydrophobicContact CE2-CZ 4.41Å; Y75-H165 AromaticContact CE2-NE2 3.97Å; Y75-H165 AromaticContact CZ-NE2 3.71Å; Y75-H165 PolarHBondContact OH-NE2 3.3Å; Y75-H165 VanDerWaalsContact OH-NE2 3.11Å; Y75-F172 HydrophobicContact CD1-CE1 4.39Å; Y75-F172 HydrophobicContact CD2-CE1 4.12Å; Y75-F172 HydrophobicContact CE2-CE1 4.43Å; Y75-F172 HydrophobicContact CG-CE1 4.11Å; Y75-R173 HydrophobicContact CD1-CG 3.62Å; Y75-R173 HydrophobicContact CE1-CG 3.58Å; Y75-V176 VanDerWaalsContact O-CG1 3.3Å; Y75-V176 WeakPolarHBondContact O-CG1 3.26Å
76	Y	98.7	Very high	98.5	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	12.8	-170.5	-53.4	-80	0	0	0	113	G74 G78 G79 F81 I104 W105 H106 F147 L151 V176	G74-Y76 PolarHBondContact O-N 3.08Å; Y76-G78 PolarHBondContact O-N 3.35Å; Y76-G79 PolarHBondContact O-N 2.86Å; Y76-G79 VanDerWaalsContact O-N 3.1Å; Y76-F81 HydrophobicContact CD1-CZ 4.11Å; Y76-F81 HydrophobicContact CG-CZ 4.44Å; Y76-I104 HydrophobicContact CD1-CD1 3.99Å; Y76-I104 HydrophobicContact CD1-CG1 4.39Å; Y76-I104 HydrophobicContact CE1-CD1 3.96Å; Y76-I104 HydrophobicContact CE1-CG1 4.14Å; Y76-W105 WeakPolarHBondContact CE1-O 3.46Å; Y76-W105 PolarHBondContact OH-O 3.28Å; Y76-W105 VanDerWaalsContact OH-O 3.13Å; Y76-H106 HydrophobicContact CE1-CB 4.41Å; Y76-H106 AromaticContact CE1-CD2 3.85Å; Y76-H106 AromaticContact CE2-CD2 3.42Å; Y76-H106 VanDerWaalsContact CE2-CD2 3.42Å; Y76-H106 WeakPolarHBondContact CE2-CD2 3.33Å; Y76-H106 AromaticContact CE2-NE2 3.79Å; Y76-H106 AromaticContact CZ-CD2 3.22Å; Y76-H106 AromaticContact CZ-CG 3.96Å; Y76-H106 WeakPolarHBondContact OH-CA 3.36Å; Y76-H106 PolarHBondContact OH-CD2 2.77Å; Y76-F147 HydrophobicContact CD1-CD1 4.46Å; Y76-F147 HydrophobicContact CD2-CB 4.38Å; Y76-F147 AromaticContact CD2-CD1 3.74Å; Y76-F147 HydrophobicContact CD2-CD1 3.74Å; Y76-F147 HydrophobicContact CE2-CD1 4.49Å; Y76-F147 AromaticContact CG-CD1 3.72Å; Y76-F147 HydrophobicContact CG-CD1 3.72Å; Y76-F147 HydrophobicContact CG-CE1 4.33Å; Y76-L151 HydrophobicContact CE2-CD1 4.03Å; Y76-L151 HydrophobicContact CE2-CD2 4.2Å; Y76-V176 HydrophobicContact CD1-CG1 3.56Å; Y76-V176 HydrophobicContact CE1-CG1 3.66Å; Y76-V176 HydrophobicContact CE1-CG2 3.98Å; Y76-V176 HydrophobicContact CG-CG1 4.43Å
77	Q	98.4	Very high	98.5	Very high	125 Å²	125	44.5 Å²	44.5	58%	0.584	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	129.1	-178.3	-178.2	175.5	12	0	0	111.5	P71 D72 G74 G79	P71-Q77 WeakPolarHBondContact O-CA 3.41Å; D72-Q77 WeakPolarHBondContact O-CG 3.33Å; D72-Q77 PolarHBondContact O-NE2 3.49Å; G74-Q77 PolarHBondContact O-N 3.07Å; Q77-G79 PolarHBondContact O-N 3.32Å
78	G	97.4	Very high	98.4	Very high	49 Å²	49	45.7 Å²	45.7	51%	0.505	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-6.5	177.6	0	0	0	0	0	115.4	P71 Y76	P71-G78 PolarHBondContact O-N 3.21Å; Y76-G78 PolarHBondContact O-N 3.35Å
79	G	98.6	Very high	98.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.272	C	S	.	.			trans	-74.7	149.4	170.3	0	0	0	0	0	112.3	T70 P71 Y76 Q77	T70-G79 WeakPolarHBondContact CA-O 3.47Å; P71-G79 WeakPolarHBondContact CD-O 3.33Å; Y76-G79 PolarHBondContact O-N 2.86Å; Y76-G79 VanDerWaalsContact O-N 3.1Å; Q77-G79 PolarHBondContact O-N 3.32Å
80	K	98.8	Very high	98.3	Very high	94 Å²	94	52.8 Å²	52.8	41%	0.409	29%	0.293	S	S	.	.			trans	-113	110.6	175.9	-64	178.8	-170.1	147.8	0	110.7	T68 T70 A184 R185	T68-K80 HydrophobicContact CG2-CB 4.43Å; T70-K80 HydrophobicContact CG2-CG 4.21Å; K80-A184 PolarHBondContact N-O 2.71Å; K80-A184 WeakPolarHBondContact O-CB 3.28Å; K80-R185 WeakPolarHBondContact CD-OXT 3.45Å; K80-R185 WeakPolarHBondContact CE-OXT 3.48Å; K80-R185 PolarHBondContact NZ-OXT 3.41Å
81	F	98.9	Very high	98.2	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.7	-175.6	-52	-77.1	0	0	0	110	T68 V69 P71 Y76 F83 T102 I104 F147 I180 A184	T68-F81 WeakPolarHBondContact CA-O 3.35Å; V69-F81 PolarHBondContact N-O 2.96Å; V69-F81 PolarHBondContact O-N 3.1Å; P71-F81 HydrophobicContact CG-CD2 4.25Å; P71-F81 HydrophobicContact CG-CE2 4.11Å; Y76-F81 HydrophobicContact CD1-CZ 4.11Å; Y76-F81 HydrophobicContact CG-CZ 4.44Å; F81-F83 HydrophobicContact CB-CE2 3.84Å; F81-F83 HydrophobicContact CB-CZ 4.31Å; F81-T102 HydrophobicContact CD1-CG2 3.91Å; F81-I104 HydrophobicContact CD1-CB 4.43Å; F81-I104 HydrophobicContact CD1-CD1 3.65Å; F81-I104 HydrophobicContact CD1-CG1 4.17Å; F81-I104 HydrophobicContact CE1-CB 4.34Å; F81-I104 HydrophobicContact CE1-CD1 3.45Å; F81-I104 VanDerWaalsContact CE1-CD1 3.45Å; F81-I104 HydrophobicContact CE1-CG1 3.74Å; F81-I104 HydrophobicContact CG-CD1 4.33Å; F81-I104 HydrophobicContact CZ-CD1 4Å; F81-F147 HydrophobicContact CB-CE1 4.33Å; F81-F147 HydrophobicContact CB-CZ 3.75Å; F81-F147 HydrophobicContact CD1-CE1 4.31Å; F81-F147 HydrophobicContact CD2-CD1 4.16Å; F81-F147 AromaticContact CD2-CE1 3.38Å; F81-F147 HydrophobicContact CD2-CE1 3.38Å; F81-F147 HydrophobicContact CD2-CE2 4.45Å; F81-F147 AromaticContact CD2-CZ 3.56Å; F81-F147 HydrophobicContact CD2-CZ 3.56Å; F81-F147 HydrophobicContact CE2-CD1 4.15Å; F81-F147 AromaticContact CE2-CE1 3.66Å; F81-F147 HydrophobicContact CE2-CE1 3.66Å; F81-F147 HydrophobicContact CE2-CZ 4.31Å; F81-F147 AromaticContact CG-CE1 3.73Å; F81-F147 HydrophobicContact CG-CE1 3.73Å; F81-F147 AromaticContact CG-CZ 3.66Å; F81-F147 HydrophobicContact CG-CZ 3.66Å; F81-F147 HydrophobicContact CZ-CE1 4.22Å; F81-I180 HydrophobicContact CZ-CD1 4.36Å; F81-I180 HydrophobicContact CZ-CG1 4.01Å; F81-A184 HydrophobicContact CD1-CB 4.18Å; F81-A184 HydrophobicContact CE1-CB 3.83Å; F81-A184 HydrophobicContact CZ-CB 4.38Å
82	Q	98.8	Very high	98.1	Very high	86 Å²	86	52 Å²	52	40%	0.402	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	136.4	-178.8	-65.8	-177.5	5.4	0	0	110.4	L67 L101 T102	L67-Q82 CarbonylContact O-C 3.53Å; L67-Q82 WeakPolarHBondContact O-CA 3.38Å; Q82-L101 HydrophobicContact CB-CB 4.2Å; Q82-L101 HydrophobicContact CB-CD1 4.47Å; Q82-L101 PolarHBondContact O-N 3.1Å; Q82-T102 PolarHBondContact N-OG1 3.29Å
83	F	98.9	Very high	98	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.4	177.9	-60.9	-93.5	0	0	0	109.1	Q66 L67 V69 F81 V98 K99 C100 I109 I115 L143 F147	Q66-F83 CarbonylContact C-O 3.59Å; Q66-F83 VanDerWaalsContact CA-O 3.25Å; Q66-F83 WeakPolarHBondContact CA-O 3.42Å; L67-F83 HydrophobicContact CB-CB 4.26Å; L67-F83 HydrophobicContact CD2-CD2 4.4Å; L67-F83 PolarHBondContact N-O 2.78Å; L67-F83 PolarHBondContact O-N 2.77Å; V69-F83 HydrophobicContact CB-CE2 4.14Å; V69-F83 HydrophobicContact CG2-CD2 4.02Å; V69-F83 HydrophobicContact CG2-CE2 3.73Å; F81-F83 HydrophobicContact CB-CE2 3.84Å; F81-F83 HydrophobicContact CB-CZ 4.31Å; F83-V98 HydrophobicContact CB-CG1 4.21Å; F83-V98 HydrophobicContact CD1-CG1 4.22Å; F83-K99 CarbonylContact C-O 3.53Å; F83-K99 VanDerWaalsContact CA-O 3.27Å; F83-K99 WeakPolarHBondContact CA-O 3.43Å; F83-C100 HydrophobicContact CD1-CB 3.87Å; F83-C100 HydrophobicContact CE1-CB 3.73Å; F83-I109 HydrophobicContact CE1-CD1 4.08Å; F83-I109 HydrophobicContact CZ-CD1 4.04Å; F83-I115 HydrophobicContact CD1-CD1 3.6Å; F83-I115 HydrophobicContact CE1-CD1 3.73Å; F83-I115 HydrophobicContact CE1-CG1 4.43Å; F83-L143 HydrophobicContact CD1-CD2 4.2Å; F83-L143 HydrophobicContact CE1-CD2 4.15Å; F83-F147 HydrophobicContact CE2-CE2 4.04Å; F83-F147 HydrophobicContact CE2-CZ 4.09Å; F83-F147 AromaticContact CZ-CE2 3.86Å; F83-F147 HydrophobicContact CZ-CE2 3.86Å; F83-F147 AromaticContact CZ-CZ 3.77Å; F83-F147 HydrophobicContact CZ-CZ 3.77Å
84	E	98.6	Very high	97.9	Very high	78 Å²	78	50 Å²	50	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.3	168.1	-174.3	166.7	-99.3	0	0	109	V98 K99 L101	E84-V98 WeakPolarHBondContact O-CA 3.41Å; E84-K99 PolarHBondContact N-O 2.78Å; E84-K99 PolarHBondContact O-N 2.86Å; E84-L101 HydrophobicContact CB-CD1 4.13Å; E84-L101 HydrophobicContact CB-CD2 3.96Å; E84-L101 HydrophobicContact CB-CG 4.18Å
85	T	98.6	Very high	98	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.7	175.6	-58.8	0	0	0	0	109.9	C64 F65 V87 P96 K97 V98	C64-T85 WeakPolarHBondContact CA-O 3.39Å; F65-T85 HydrophobicContact CD1-CG2 4.32Å; F65-T85 HydrophobicContact CE1-CG2 3.51Å; F65-T85 HydrophobicContact CE2-CG2 4.47Å; F65-T85 HydrophobicContact CZ-CG2 3.61Å; F65-T85 PolarHBondContact N-O 3.47Å; F65-T85 VanDerWaalsContact N-O 3.1Å; F65-T85 PolarHBondContact O-N 2.92Å; T85-V87 HydrophobicContact CG2-CG2 4.47Å; T85-P96 HydrophobicContact CG2-CB 3.68Å; T85-K97 CarbonylContact C-O 3.57Å; T85-K97 WeakPolarHBondContact CA-O 3.44Å; T85-V98 HydrophobicContact CG2-CG2 4.18Å
86	E	98.5	Very high	98	Very high	101 Å²	101	45.5 Å²	45.5	47%	0.472	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.4	174.4	-170.8	-170.6	161.8	0	0	110.2	H63 P96 K97	H63-E86 CarbonylContact O-C 3.52Å; H63-E86 WeakPolarHBondContact O-CA 3.25Å; E86-P96 WeakPolarHBondContact O-CA 3.36Å; E86-K97 PolarHBondContact N-O 2.72Å; E86-K97 PolarHBondContact O-N 3.31Å
87	V	98.4	Very high	97.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.274	C	S	.	.			trans	-94.3	112	-178.8	-173.7	0	0	0	0	109.6	R33 L37 H63 T85 Y91 P96 L136	R33-V87 WeakPolarHBondContact CD-O 3.48Å; R33-V87 HydrophobicContact CG-CG1 4.06Å; R33-V87 PolarHBondContact NH1-O 3.34Å; L37-V87 HydrophobicContact CD2-CB 4.35Å; L37-V87 HydrophobicContact CD2-CG1 4.14Å; L37-V87 HydrophobicContact CD2-CG2 4.06Å; H63-V87 HydrophobicContact CB-CB 4.01Å; H63-V87 PolarHBondContact O-N 3.1Å; T85-V87 HydrophobicContact CG2-CG2 4.47Å; V87-Y91 HydrophobicContact CG1-CD1 3.81Å; V87-Y91 HydrophobicContact CG1-CD2 3.52Å; V87-Y91 HydrophobicContact CG1-CE2 4.25Å; V87-Y91 HydrophobicContact CG1-CG 3.27Å; V87-P96 HydrophobicContact CG2-CB 4.25Å; V87-P96 HydrophobicContact CG2-CG 4.33Å; V87-L136 HydrophobicContact CG2-CD2 3.82Å
88	P	97.9	Very high	97.9	Very high	25 Å²	25	47.3 Å²	47.3	16%	0.162	25%	0.253	C	S	.	.			trans	-69.1	159.3	-174.6	30.2	-36.3	0	0	0	111.9	R33 A90 Y91 V94 P95	R33-P88 VanDerWaalsContact CD-O 3.26Å; R33-P88 WeakPolarHBondContact CD-O 3.48Å; P88-A90 PolarHBondContact O-N 2.89Å; P88-A90 VanDerWaalsContact O-N 3.12Å; P88-Y91 WeakPolarHBondContact O-CB 3.35Å; P88-Y91 PolarHBondContact O-N 2.87Å; P88-V94 HydrophobicContact CG-CB 4.2Å; P88-V94 HydrophobicContact CG-CG1 4.1Å; P88-P95 WeakPolarHBondContact CD-O 3.4Å; P88-P95 WeakPolarHBondContact CG-O 3.48Å
89	D	96.8	Very high	98	Very high	129 Å²	129	49.9 Å²	49.9	69%	0.69	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.5	178.4	-71.8	-20.2	0	0	0	113.1	R33 Y91	R33-D89 IonicContact CZ-OD1 3.82Å; R33-D89 IonicContact NH1-OD1 2.84Å; R33-D89 PolarHBondContact NH1-OD1 3.05Å; R33-D89 IonicContact NH2-OD1 3.02Å; R33-D89 PolarHBondContact NH2-OD1 3.39Å; D89-Y91 PolarHBondContact O-N 2.82Å
90	A	96.8	Very high	98	Very high	53 Å²	53	50 Å²	50	44%	0.438	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	2.2	177.3	0	0	0	0	0	114.1	P88 M93 V94	P88-A90 PolarHBondContact O-N 2.89Å; P88-A90 VanDerWaalsContact O-N 3.12Å; A90-M93 WeakPolarHBondContact O-CB 3.32Å; A90-M93 PolarHBondContact O-N 2.88Å; A90-V94 HydrophobicContact CB-CB 4.17Å; A90-V94 HydrophobicContact CB-CG2 3.73Å; A90-V94 PolarHBondContact O-N 2.84Å
91	Y	97.6	Very high	98	Very high	5 Å²	5	49 Å²	49	2%	0.02	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	136	175.1	-176.9	-96.4	0	0	0	111.5	R33 L36 E40 V87 P88 D89 P96 W130	R33-Y91 HydrophobicContact CG-CD1 4.16Å; R33-Y91 HydrophobicContact CG-CG 4.46Å; L36-Y91 HydrophobicContact CB-CD1 4.35Å; L36-Y91 HydrophobicContact CB-CE1 3.96Å; L36-Y91 HydrophobicContact CD1-CD1 3.97Å; L36-Y91 HydrophobicContact CD1-CE1 3.92Å; E40-Y91 WeakPolarHBondContact OE1-CE1 3.49Å; E40-Y91 PolarHBondContact OE1-OH 2.87Å; E40-Y91 PolarHBondContact OE2-OH 3.29Å; V87-Y91 HydrophobicContact CG1-CD1 3.81Å; V87-Y91 HydrophobicContact CG1-CD2 3.52Å; V87-Y91 HydrophobicContact CG1-CE2 4.25Å; V87-Y91 HydrophobicContact CG1-CG 3.27Å; P88-Y91 WeakPolarHBondContact O-CB 3.35Å; P88-Y91 PolarHBondContact O-N 2.87Å; D89-Y91 PolarHBondContact O-N 2.82Å; Y91-P96 HydrophobicContact CD2-CG 4.36Å; Y91-P96 HydrophobicContact CE2-CG 4.15Å; Y91-W130 HydrophobicContact CD2-CZ2 4.11Å; Y91-W130 AromaticContact CE2-CH2 3.74Å; Y91-W130 HydrophobicContact CE2-CH2 3.74Å; Y91-W130 AromaticContact CE2-CZ2 3.47Å; Y91-W130 HydrophobicContact CE2-CZ2 3.47Å; Y91-W130 VanDerWaalsContact CE2-CZ2 3.47Å
92	N	95.8	Very high	98	Very high	30 Å²	30	49.4 Å²	49.4	16%	0.16	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	cis	-98.6	18.6	10.7	63.8	-21	0	0	0	115.1	L36 W130 P132	L36-N92 HydrophobicContact CD1-CB 3.97Å; N92-W130 HydrophobicContact CB-CZ2 4.47Å; N92-W130 PolarHBondContact O-NE1 2.77Å; N92-P132 PolarHBondContact ND2-O 2.91Å
93	M	96.3	Very high	98	Very high	132 Å²	132	49 Å²	49	65%	0.65	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-32.2	177.2	-59	-61.4	172.4	0	0	112	A90 P132	A90-M93 WeakPolarHBondContact O-CB 3.32Å; A90-M93 PolarHBondContact O-N 2.88Å; M93-P132 HydrophobicContact SD-CG 3.85Å
94	V	96.9	Very high	98	Very high	33 Å²	33	49.1 Å²	49.1	20%	0.2	25%	0.25	C	S	.	.	S	Bend	trans	-112.1	139.7	176.5	-179.4	0	0	0	0	108.9	P88 A90	P88-V94 HydrophobicContact CG-CB 4.2Å; P88-V94 HydrophobicContact CG-CG1 4.1Å; A90-V94 HydrophobicContact CB-CB 4.17Å; A90-V94 HydrophobicContact CB-CG2 3.73Å; A90-V94 PolarHBondContact O-N 2.84Å
95	P	98.1	Very high	98	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.058	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-62.9	157.2	178.6	22.5	-31.4	0	0	0	112.7	P88 L120 E122 W130	P88-P95 WeakPolarHBondContact CD-O 3.4Å; P88-P95 WeakPolarHBondContact CG-O 3.48Å; P95-L120 HydrophobicContact CB-CD2 4.4Å; P95-L120 VanDerWaalsContact CG-O 3.3Å; P95-L120 WeakPolarHBondContact CG-O 3.42Å; P95-E122 HydrophobicContact CG-CB 4.36Å; P95-W130 HydrophobicContact CB-CB 3.84Å; P95-W130 HydrophobicContact CB-CD2 3.54Å; P95-W130 HydrophobicContact CB-CE3 3.73Å; P95-W130 HydrophobicContact CB-CG 3.56Å; P95-W130 HydrophobicContact CG-CB 3.89Å; P95-W130 HydrophobicContact CG-CD2 4.43Å; P95-W130 HydrophobicContact CG-CG 3.95Å
96	P	98.4	Very high	98	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.019	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-58.8	145.2	163.3	-21.3	34.1	0	0	0	111.4	T85 E86 V87 Y91 W130 L136 V139	T85-P96 HydrophobicContact CG2-CB 3.68Å; E86-P96 WeakPolarHBondContact O-CA 3.36Å; V87-P96 HydrophobicContact CG2-CB 4.25Å; V87-P96 HydrophobicContact CG2-CG 4.33Å; Y91-P96 HydrophobicContact CD2-CG 4.36Å; Y91-P96 HydrophobicContact CE2-CG 4.15Å; P96-W130 HydrophobicContact CG-CH2 4.44Å; P96-L136 HydrophobicContact CG-CD2 3.72Å; P96-V139 HydrophobicContact CG-CG2 4.25Å
97	K	98.4	Very high	98	Very high	141 Å²	141	40.9 Å²	40.9	61%	0.613	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	131	168.4	-64.2	179.8	-177.6	176.7	0	108.5	T85 E86	T85-K97 CarbonylContact C-O 3.57Å; T85-K97 WeakPolarHBondContact CA-O 3.44Å; E86-K97 PolarHBondContact N-O 2.72Å; E86-K97 PolarHBondContact O-N 3.31Å
98	V	98.7	Very high	98	Very high	23 Å²	23	41.1 Å²	41.1	14%	0.139	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.3	179.1	-170.4	0	0	0	0	109.5	F83 E84 T85 I115 L120 V139 L143	F83-V98 HydrophobicContact CB-CG1 4.21Å; F83-V98 HydrophobicContact CD1-CG1 4.22Å; E84-V98 WeakPolarHBondContact O-CA 3.41Å; T85-V98 HydrophobicContact CG2-CG2 4.18Å; V98-I115 HydrophobicContact CB-CD1 4.07Å; V98-I115 HydrophobicContact CG1-CD1 3.57Å; V98-L120 HydrophobicContact CB-CD1 3.94Å; V98-L120 HydrophobicContact CG2-CD1 3.73Å; V98-L120 HydrophobicContact CG2-CD2 4.15Å; V98-V139 HydrophobicContact CG2-CG1 3.93Å; V98-L143 HydrophobicContact CG1-CD1 3.8Å; V98-L143 HydrophobicContact CG1-CD2 4.06Å
99	K	98.6	Very high	98.1	Very high	103 Å²	103	40 Å²	40	45%	0.448	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.2	173.8	-172.8	177.3	-179	175.2	0	110.4	F83 E84 T112 G113	F83-K99 CarbonylContact C-O 3.53Å; F83-K99 VanDerWaalsContact CA-O 3.27Å; F83-K99 WeakPolarHBondContact CA-O 3.43Å; E84-K99 PolarHBondContact N-O 2.78Å; E84-K99 PolarHBondContact O-N 2.86Å; K99-T112 WeakPolarHBondContact CE-O 3.49Å; K99-G113 WeakPolarHBondContact CA-O 3.35Å; K99-G113 WeakPolarHBondContact CG-O 3.16Å
100	C	98.8	Very high	98.1	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.02	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	127.9	168.6	-171.6	0	0	0	0	109.1	F83 T102 I109 G113 I115	F83-C100 HydrophobicContact CD1-CB 3.87Å; F83-C100 HydrophobicContact CE1-CB 3.73Å; C100-T102 PolarHBondContact SG-O 3.24Å; C100-I109 HydrophobicContact CB-CG2 3.61Å; C100-G113 PolarHBondContact N-O 2.9Å; C100-G113 WeakPolarHBondContact O-CA 3.3Å; C100-I115 HydrophobicContact CB-CD1 4.35Å; C100-I115 HydrophobicContact CB-CG1 4.39Å
101	L	98.7	Very high	98.2	Very high	72 Å²	72	35.1 Å²	35.1	38%	0.377	17%	0.171	S	C	.	.			trans	-91.8	-22.7	177.8	-54.4	-176.4	0	0	0	111.7	Q82 E84	Q82-L101 HydrophobicContact CB-CB 4.2Å; Q82-L101 HydrophobicContact CB-CD1 4.47Å; Q82-L101 PolarHBondContact O-N 3.1Å; E84-L101 HydrophobicContact CB-CD1 4.13Å; E84-L101 HydrophobicContact CB-CD2 3.96Å; E84-L101 HydrophobicContact CB-CG 4.18Å
102	T	98.7	Very high	98.2	Very high	12 Å²	12	39.5 Å²	39.5	7%	0.074	20%	0.198	C	C	.	.	S	Bend	trans	-88.8	123.8	-179.5	-56.3	0	0	0	0	110.3	F81 Q82 C100 I104 Y183 A184	F81-T102 HydrophobicContact CD1-CG2 3.91Å; Q82-T102 PolarHBondContact N-OG1 3.29Å; C100-T102 PolarHBondContact SG-O 3.24Å; T102-I104 PolarHBondContact O-N 2.98Å; T102-Y183 WeakPolarHBondContact CG2-O 3.21Å; T102-A184 HydrophobicContact CG2-CB 3.75Å
103	K	98.6	Very high	98.3	Very high	76 Å²	76	38.2 Å²	38.2	33%	0.33	19%	0.192	S	C	.	.			trans	-61.5	126.8	171.4	-179	167.7	176.6	148.3	0	110.1	E111 Y179 Y183	K103-E111 WeakPolarHBondContact CE-OE2 3.37Å; K103-E111 HydrophobicContact CG-CB 4.24Å; K103-E111 IonicContact NZ-OE2 2.68Å; K103-E111 PolarHBondContact NZ-OE2 3.25Å; K103-Y179 HydrophobicContact CG-CD1 4.37Å; K103-Y179 HydrophobicContact CG-CE1 4.22Å; K103-Y183 HydrophobicContact CB-CD1 4.49Å; K103-Y183 HydrophobicContact CB-CD2 4.1Å; K103-Y183 HydrophobicContact CB-CG 4.05Å; K103-Y183 HydrophobicContact CD-CD2 4.31Å; K103-Y183 HydrophobicContact CD-CE1 4.41Å; K103-Y183 HydrophobicContact CD-CE2 3.97Å; K103-Y183 HydrophobicContact CG-CD2 4.1Å; K103-Y183 HydrophobicContact CG-CE2 4.2Å
104	I	98.8	Very high	98.4	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.015	18%	0.182	C	C	.	.			trans	-142.8	146.1	-171.8	-168.7	178.4	0	0	0	111.7	Y76 F81 T102 H106 I109 F147	Y76-I104 HydrophobicContact CD1-CD1 3.99Å; Y76-I104 HydrophobicContact CD1-CG1 4.39Å; Y76-I104 HydrophobicContact CE1-CD1 3.96Å; Y76-I104 HydrophobicContact CE1-CG1 4.14Å; F81-I104 HydrophobicContact CD1-CB 4.43Å; F81-I104 HydrophobicContact CD1-CD1 3.65Å; F81-I104 HydrophobicContact CD1-CG1 4.17Å; F81-I104 HydrophobicContact CE1-CB 4.34Å; F81-I104 HydrophobicContact CE1-CD1 3.45Å; F81-I104 VanDerWaalsContact CE1-CD1 3.45Å; F81-I104 HydrophobicContact CE1-CG1 3.74Å; F81-I104 HydrophobicContact CG-CD1 4.33Å; F81-I104 HydrophobicContact CZ-CD1 4Å; T102-I104 PolarHBondContact O-N 2.98Å; I104-H106 HydrophobicContact CD1-CB 3.83Å; I104-H106 HydrophobicContact CG1-CB 3.95Å; I104-H106 HydrophobicContact CG2-CB 4.04Å; I104-I109 HydrophobicContact CG2-CB 3.94Å; I104-I109 HydrophobicContact CG2-CG2 3.67Å; I104-F147 HydrophobicContact CD1-CE1 3.66Å; I104-F147 HydrophobicContact CD1-CZ 4.4Å
105	W	98.8	Very high	98.5	Very high	7 Å²	7	36.2 Å²	36.2	3%	0.027	18%	0.179	C	C	.	.			trans	-94.5	90.3	168.9	-167.9	-109.4	0	0	0	109.7	Y76 E111 E160 A161 H164 F172 K175 V176 Y179	Y76-W105 WeakPolarHBondContact CE1-O 3.46Å; Y76-W105 PolarHBondContact OH-O 3.28Å; Y76-W105 VanDerWaalsContact OH-O 3.13Å; W105-E111 VanDerWaalsContact CZ3-OE1 3.3Å; W105-E111 WeakPolarHBondContact CZ3-OE1 3.46Å; W105-E160 HydrophobicContact CH2-CB 3.7Å; W105-E160 HydrophobicContact CZ2-CB 4.25Å; W105-A161 HydrophobicContact CD2-CB 4.16Å; W105-A161 VanDerWaalsContact CZ2-CA 3.48Å; W105-A161 HydrophobicContact CZ2-CB 4.06Å; W105-H164 AromaticContact CE2-ND1 3.77Å; W105-H164 HydrophobicContact CZ2-CB 4.11Å; W105-H164 AromaticContact CZ2-ND1 3.87Å; W105-H164 AromaticContact NE1-ND1 3.26Å; W105-H164 PolarHBondContact NE1-ND1 3.39Å; W105-F172 AromaticContact CD1-CD2 3.76Å; W105-F172 AromaticContact CD1-CE2 3.49Å; W105-F172 VanDerWaalsContact CD1-CE2 3.49Å; W105-F172 AromaticContact NE1-CD2 3.56Å; W105-F172 AromaticContact NE1-CE2 3.56Å; W105-K175 HydrophobicContact CD2-CD 3.93Å; W105-K175 VanDerWaalsContact CD2-CE 3.48Å; W105-K175 HydrophobicContact CD2-CG 4.37Å; W105-K175 HydrophobicContact CG-CD 4.11Å; W105-K175 HydrophobicContact CG-CG 4.05Å; W105-K175 HydrophobicContact CZ2-CD 4.23Å; W105-V176 HydrophobicContact CB-CG2 4.39Å; W105-Y179 HydrophobicContact CB-CD1 3.86Å; W105-Y179 HydrophobicContact CB-CD2 4.42Å; W105-Y179 HydrophobicContact CB-CE1 4.02Å; W105-Y179 HydrophobicContact CB-CG 4.04Å; W105-Y179 HydrophobicContact CE3-CE1 4.28Å
106	H	98.8	Very high	98.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.			trans	-141	141.3	-171.4	-168.8	-76	0	0	0	111.5	Y76 I104 N108 I109 L146 L151 N158	Y76-H106 HydrophobicContact CE1-CB 4.41Å; Y76-H106 AromaticContact CE1-CD2 3.85Å; Y76-H106 AromaticContact CE2-CD2 3.42Å; Y76-H106 VanDerWaalsContact CE2-CD2 3.42Å; Y76-H106 WeakPolarHBondContact CE2-CD2 3.33Å; Y76-H106 AromaticContact CE2-NE2 3.79Å; Y76-H106 AromaticContact CZ-CD2 3.22Å; Y76-H106 AromaticContact CZ-CG 3.96Å; Y76-H106 WeakPolarHBondContact OH-CA 3.36Å; Y76-H106 PolarHBondContact OH-CD2 2.77Å; I104-H106 HydrophobicContact CD1-CB 3.83Å; I104-H106 HydrophobicContact CG1-CB 3.95Å; I104-H106 HydrophobicContact CG2-CB 4.04Å; H106-N108 PolarHBondContact ND1-N 2.84Å; H106-I109 HydrophobicContact CB-CB 4.03Å; H106-I109 PolarHBondContact ND1-N 2.82Å; H106-L146 PolarHBondContact CE1-O 3.16Å; H106-L146 PolarHBondContact NE2-O 2.89Å; H106-L151 WeakPolarHBondContact NE2-CD1 3.26Å; H106-N158 WeakPolarHBondContact O-CB 3.37Å; H106-N158 PolarHBondContact O-ND2 3.38Å
107	P	98.5	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-69.1	-33.7	-178.7	28.5	-36.8	0	0	0	113.3	L151 N152 F153 P156 L157 N158 A162	P107-L151 HydrophobicContact CG-CD1 3.48Å; P107-L151 VanDerWaalsContact CG-CD1 3.48Å; P107-N152 WeakPolarHBondContact CB-O 3.38Å; P107-F153 HydrophobicContact CB-CD1 3.84Å; P107-F153 HydrophobicContact CB-CE1 4.04Å; P107-F153 HydrophobicContact CG-CD1 3.83Å; P107-F153 HydrophobicContact CG-CE1 3.65Å; P107-F153 HydrophobicContact CG-CG 4.38Å; P107-F153 HydrophobicContact CG-CZ 4.03Å; P107-P156 HydrophobicContact CB-CB 3.97Å; P107-P156 CarbonylContact O-C 3.57Å; P107-L157 PolarHBondContact O-N 3.17Å; P107-N158 PolarHBondContact O-N 3.11Å; P107-A162 HydrophobicContact CB-CB 4.42Å
108	N	98.6	Very high	98.1	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.027	17%	0.172	C	C	.	.	S	Bend	trans	-101.4	1.7	-179.2	-41.6	105.1	0	0	0	114.8	H106 C116 L146 N152	H106-N108 PolarHBondContact ND1-N 2.84Å; N108-C116 HydrophobicContact CB-CB 4.39Å; N108-C116 PolarHBondContact O-N 2.92Å; N108-L146 HydrophobicContact CB-CD2 4.13Å; N108-N152 PolarHBondContact ND2-O 3.19Å; N108-N152 PolarHBondContact OD1-N 3.33Å; N108-N152 PolarHBondContact OD1-O 3.13Å
109	I	98.7	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-133.3	123.2	177.9	-52.9	171.4	0	0	0	107.7	F83 C100 I104 H106 E114 I115 L146 F147	F83-I109 HydrophobicContact CE1-CD1 4.08Å; F83-I109 HydrophobicContact CZ-CD1 4.04Å; C100-I109 HydrophobicContact CB-CG2 3.61Å; I104-I109 HydrophobicContact CG2-CB 3.94Å; I104-I109 HydrophobicContact CG2-CG2 3.67Å; H106-I109 HydrophobicContact CB-CB 4.03Å; H106-I109 PolarHBondContact ND1-N 2.82Å; I109-E114 WeakPolarHBondContact CA-O 3.46Å; I109-I115 HydrophobicContact CG1-CG1 4.4Å; I109-I115 HydrophobicContact CG2-CG1 4.26Å; I109-L146 HydrophobicContact CD1-CD1 4.19Å; I109-L146 HydrophobicContact CG1-CD1 4.24Å; I109-F147 HydrophobicContact CD1-CZ 4.2Å
110	T	98.4	Very high	97.8	Very high	22 Å²	22	28.9 Å²	28.9	14%	0.135	16%	0.155	C	C	.	.			trans	-75.7	161.5	179.1	65.9	0	0	0	0	111.1	T112 G113 E114 L157	T110-T112 PolarHBondContact O-N 2.7Å; T110-T112 PolarHBondContact OG1-N 3.22Å; T110-T112 PolarHBondContact OG1-OG1 3.28Å; T110-G113 PolarHBondContact O-N 3.47Å; T110-G113 VanDerWaalsContact O-N 3.17Å; T110-G113 PolarHBondContact OG1-N 2.93Å; T110-G113 VanDerWaalsContact OG1-N 3.08Å; T110-E114 HydrophobicContact CG2-CB 4.05Å; T110-E114 PolarHBondContact N-O 3.27Å; T110-E114 PolarHBondContact OG1-N 3.16Å; T110-E114 PolarHBondContact OG1-OE2 2.93Å; T110-L157 HydrophobicContact CG2-CD2 3.65Å; T110-L157 HydrophobicContact CG2-CG 3.7Å
111	E	98.2	Very high	97.6	Very high	59 Å²	59	33.3 Å²	33.3	28%	0.276	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.4	173.4	-63.8	-166.7	174.8	0	0	113.4	K103 W105 Y179	K103-E111 WeakPolarHBondContact CE-OE2 3.37Å; K103-E111 HydrophobicContact CG-CB 4.24Å; K103-E111 IonicContact NZ-OE2 2.68Å; K103-E111 PolarHBondContact NZ-OE2 3.25Å; W105-E111 VanDerWaalsContact CZ3-OE1 3.3Å; W105-E111 WeakPolarHBondContact CZ3-OE1 3.46Å; E111-Y179 HydrophobicContact CG-CE1 4.34Å; E111-Y179 VanDerWaalsContact OE1-CE1 3.29Å; E111-Y179 WeakPolarHBondContact OE1-CE1 2.88Å; E111-Y179 PolarHBondContact OE1-OH 3.19Å
112	T	97.8	Very high	97.2	Very high	97 Å²	97	34.8 Å²	34.8	60%	0.595	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-10.2	178.4	38.9	0	0	0	0	113.8	K99 T110 E114	K99-T112 WeakPolarHBondContact CE-O 3.49Å; T110-T112 PolarHBondContact O-N 2.7Å; T110-T112 PolarHBondContact OG1-N 3.22Å; T110-T112 PolarHBondContact OG1-OG1 3.28Å; T112-E114 WeakPolarHBondContact CB-OE2 3.43Å; T112-E114 PolarHBondContact OG1-OE2 2.94Å
113	G	98.1	Very high	96.6	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	107.6	4.8	167.8	0	0	0	0	0	116.1	K99 C100 T110	K99-G113 WeakPolarHBondContact CA-O 3.35Å; K99-G113 WeakPolarHBondContact CG-O 3.16Å; C100-G113 PolarHBondContact N-O 2.9Å; C100-G113 WeakPolarHBondContact O-CA 3.3Å; T110-G113 PolarHBondContact O-N 3.47Å; T110-G113 VanDerWaalsContact O-N 3.17Å; T110-G113 PolarHBondContact OG1-N 2.93Å; T110-G113 VanDerWaalsContact OG1-N 3.08Å
114	E	98.3	Very high	95.8	Very high	95 Å²	95	40.1 Å²	40.1	44%	0.444	21%	0.205	S	C	.	.			trans	-70.5	145.1	171.8	-62.9	78.1	-154.8	0	0	110.7	I109 T110 T112 L157	I109-E114 WeakPolarHBondContact CA-O 3.46Å; T110-E114 HydrophobicContact CG2-CB 4.05Å; T110-E114 PolarHBondContact N-O 3.27Å; T110-E114 PolarHBondContact OG1-N 3.16Å; T110-E114 PolarHBondContact OG1-OE2 2.93Å; T112-E114 WeakPolarHBondContact CB-OE2 3.43Å; T112-E114 PolarHBondContact OG1-OE2 2.94Å; E114-L157 HydrophobicContact CB-CD2 3.99Å
115	I	98.2	Very high	95.1	Very high	29 Å²	29	48.9 Å²	48.9	15%	0.149	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-126.5	130	-172.2	-59.8	165.2	0	0	0	109.2	F83 V98 C100 I109 L117 L143 L146	F83-I115 HydrophobicContact CD1-CD1 3.6Å; F83-I115 HydrophobicContact CE1-CD1 3.73Å; F83-I115 HydrophobicContact CE1-CG1 4.43Å; V98-I115 HydrophobicContact CB-CD1 4.07Å; V98-I115 HydrophobicContact CG1-CD1 3.57Å; C100-I115 HydrophobicContact CB-CD1 4.35Å; C100-I115 HydrophobicContact CB-CG1 4.39Å; I109-I115 HydrophobicContact CG1-CG1 4.4Å; I109-I115 HydrophobicContact CG2-CG1 4.26Å; I115-L117 HydrophobicContact CG2-CB 3.98Å; I115-L143 HydrophobicContact CD1-CD2 3.98Å; I115-L143 HydrophobicContact CG2-CD2 4.18Å; I115-L146 HydrophobicContact CG2-CD1 3.63Å
116	C	96.1	Very high	94.5	Very high	30 Å²	30	53.1 Å²	53.1	20%	0.203	27%	0.274	C	S	.	.			trans	-96.8	97.5	167.2	-173.2	0	0	0	0	109.4	N108 R121 L157	N108-C116 HydrophobicContact CB-CB 4.39Å; N108-C116 PolarHBondContact O-N 2.92Å; C116-R121 PolarHBondContact SG-NH2 3.12Å; C116-R121 VanDerWaalsContact SG-NH2 3.43Å; C116-L157 HydrophobicContact CB-CB 3.87Å; C116-L157 HydrophobicContact CB-CD2 4.09Å; C116-L157 HydrophobicContact CB-CG 4.46Å
117	L	96.3	Very high	93.9	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.031	31%	0.306	C	S	.	.			trans	-132.5	117.1	173.1	-176.1	63.2	0	0	0	107.9	I115 L119 L120 L143 L146 L150	I115-L117 HydrophobicContact CG2-CB 3.98Å; L117-L119 VanDerWaalsContact C-N 3.25Å; L117-L119 HydrophobicContact CD1-CD2 3.97Å; L117-L119 HydrophobicContact CD2-CD1 4.45Å; L117-L119 HydrophobicContact CD2-CD2 3.59Å; L117-L119 HydrophobicContact CD2-CG 3.88Å; L117-L119 HydrophobicContact CG-CD2 3.66Å; L117-L119 HydrophobicContact CG-CG 3.82Å; L117-L119 PolarHBondContact O-N 2.97Å; L117-L120 HydrophobicContact CB-CD1 4.13Å; L117-L120 HydrophobicContact CB-CG 4.33Å; L117-L120 HydrophobicContact CD2-CD1 4.09Å; L117-L120 HydrophobicContact CD2-CG 4.18Å; L117-L120 HydrophobicContact CG-CG 4.49Å; L117-L120 WeakPolarHBondContact O-CB 3.26Å; L117-L120 PolarHBondContact O-N 3.41Å; L117-L143 HydrophobicContact CD2-CD2 4.03Å; L117-L143 HydrophobicContact CD2-CG 4.15Å; L117-L146 HydrophobicContact CD1-CD2 3.99Å; L117-L146 HydrophobicContact CD1-CG 4.18Å; L117-L150 HydrophobicContact CD1-CD1 3.9Å
118	S	94.3	Very high	93.6	Very high	43 Å²	43	58.8 Å²	58.8	30%	0.301	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-56.7	-38.6	-170	55.2	0	0	0	0	113	L120 R121 T128 G129	S118-L120 PolarHBondContact O-N 2.92Å; S118-L120 VanDerWaalsContact O-N 3.07Å; S118-R121 VanDerWaalsContact O-CB 3.25Å; S118-R121 WeakPolarHBondContact O-CB 3.47Å; S118-R121 VanDerWaalsContact O-CG 3.32Å; S118-R121 WeakPolarHBondContact O-CG 3.33Å; S118-R121 PolarHBondContact O-N 3.36Å; S118-T128 WeakPolarHBondContact CB-OG1 3.27Å; S118-G129 WeakPolarHBondContact O-CA 3.44Å
119	L	95.7	Very high	93.4	Very high	15 Å²	15	58.9 Å²	58.9	8%	0.079	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-62.1	-17.8	179.2	77.2	100.4	0	0	0	114.4	L117 W130 V139	L117-L119 VanDerWaalsContact C-N 3.25Å; L117-L119 HydrophobicContact CD1-CD2 3.97Å; L117-L119 HydrophobicContact CD2-CD1 4.45Å; L117-L119 HydrophobicContact CD2-CD2 3.59Å; L117-L119 HydrophobicContact CD2-CG 3.88Å; L117-L119 HydrophobicContact CG-CD2 3.66Å; L117-L119 HydrophobicContact CG-CG 3.82Å; L117-L119 PolarHBondContact O-N 2.97Å; L119-W130 VanDerWaalsContact O-CA 3.3Å; L119-W130 WeakPolarHBondContact O-CA 3.41Å; L119-W130 WeakPolarHBondContact O-CB 3.43Å; L119-W130 PolarHBondContact O-N 2.84Å; L119-V139 HydrophobicContact CD1-CB 4.27Å; L119-V139 HydrophobicContact CD1-CG2 3.7Å
120	L	96.3	Very high	93.3	Very high	31 Å²	31	59.9 Å²	59.9	16%	0.162	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-90	-0.4	176.3	-61.9	178.2	0	0	0	112.9	P95 V98 L117 S118 V139	P95-L120 HydrophobicContact CB-CD2 4.4Å; P95-L120 VanDerWaalsContact CG-O 3.3Å; P95-L120 WeakPolarHBondContact CG-O 3.42Å; V98-L120 HydrophobicContact CB-CD1 3.94Å; V98-L120 HydrophobicContact CG2-CD1 3.73Å; V98-L120 HydrophobicContact CG2-CD2 4.15Å; L117-L120 HydrophobicContact CB-CD1 4.13Å; L117-L120 HydrophobicContact CB-CG 4.33Å; L117-L120 HydrophobicContact CD2-CD1 4.09Å; L117-L120 HydrophobicContact CD2-CG 4.18Å; L117-L120 HydrophobicContact CG-CG 4.49Å; L117-L120 WeakPolarHBondContact O-CB 3.26Å; L117-L120 PolarHBondContact O-N 3.41Å; S118-L120 PolarHBondContact O-N 2.92Å; S118-L120 VanDerWaalsContact O-N 3.07Å; L120-V139 HydrophobicContact CD2-CG1 4.08Å; L120-V139 HydrophobicContact CD2-CG2 4.1Å
121	R	93.9	Very high	93.2	Very high	96 Å²	96	60.4 Å²	60.4	36%	0.362	33%	0.334	S	S	.	.			trans	-79	119.9	176.4	-60.7	175.2	-175.9	177.2	-2	109.5	C116 S118 H123 W130	C116-R121 PolarHBondContact SG-NH2 3.12Å; C116-R121 VanDerWaalsContact SG-NH2 3.43Å; S118-R121 VanDerWaalsContact O-CB 3.25Å; S118-R121 WeakPolarHBondContact O-CB 3.47Å; S118-R121 VanDerWaalsContact O-CG 3.32Å; S118-R121 WeakPolarHBondContact O-CG 3.33Å; S118-R121 PolarHBondContact O-N 3.36Å; R121-H123 VanDerWaalsContact C-N 3.34Å; R121-H123 PolarHBondContact O-N 3.14Å; R121-W130 PolarHBondContact O-N 3.28Å
122	E	90.4	Very high	93	Very high	103 Å²	103	60.7 Å²	60.7	48%	0.481	34%	0.341	S	S	.	.	S	Bend	trans	-64.3	-37	-179.7	-173.5	173.7	-176.4	0	0	112.9	P95	P95-E122 HydrophobicContact CG-CB 4.36Å
123	H	85.7	Confident	92.9	Very high	166 Å²	166	62 Å²	62	77%	0.769	35%	0.349	S	S	*	.	S	Bend	trans	-126.3	111	175.9	-59.1	-41.1	0	0	0	108.8	R121	R121-H123 VanDerWaalsContact C-N 3.34Å; R121-H123 PolarHBondContact O-N 3.14Å
124	S	83.3	Confident	92.8	Very high	34 Å²	34	65.6 Å²	65.6	24%	0.238	36%	0.362	C	S	.	.			trans	-123	128.2	176.3	-151.2	0	0	0	0	110.3	D126 G129	S124-D126 VanDerWaalsContact C-N 3.33Å; S124-D126 VanDerWaalsContact CB-OD1 3.32Å; S124-D126 WeakPolarHBondContact CB-OD1 3.44Å; S124-D126 PolarHBondContact OG-OD1 3.46Å; S124-G129 VanDerWaalsContact CB-CA 3.48Å
125	I	83.2	Confident	92.8	Very high	186 Å²	186	62.9 Å²	62.9	95%	0.954	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-29.3	-176.9	-57.9	172.5	0	0	0	110.8	G127	I125-G127 VanDerWaalsContact C-N 3.32Å; I125-G127 PolarHBondContact O-N 2.95Å
126	D	86.2	Confident	92.8	Very high	97 Å²	97	61.5 Å²	61.5	52%	0.519	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.4	-178.8	66	-4.3	0	0	0	114.1	S124 T128	S124-D126 VanDerWaalsContact C-N 3.33Å; S124-D126 VanDerWaalsContact CB-OD1 3.32Å; S124-D126 WeakPolarHBondContact CB-OD1 3.44Å; S124-D126 PolarHBondContact OG-OD1 3.46Å; D126-T128 HydrophobicContact CB-CG2 4.4Å; D126-T128 PolarHBondContact O-N 3.31Å; D126-T128 PolarHBondContact OD1-N 2.92Å; D126-T128 PolarHBondContact OD1-OG1 3.49Å; D126-T128 WeakPolarHBondContact OD2-CG2 3.5Å; D126-T128 PolarHBondContact OD2-OG1 3.27Å
127	G	86.9	Confident	92.9	Very high	66 Å²	66	63.6 Å²	63.6	68%	0.68	35%	0.35	S	S	*	.	S	Bend	trans	72.9	6.3	-177.3	0	0	0	0	0	115.4	I125 G129	I125-G127 VanDerWaalsContact C-N 3.32Å; I125-G127 PolarHBondContact O-N 2.95Å; G127-G129 VanDerWaalsContact C-N 3.35Å
128	T	90.8	Very high	92.9	Very high	52 Å²	52	66 Å²	66	32%	0.319	36%	0.363	S	S	.	.			trans	-85.8	-11.2	179.8	69.1	0	0	0	0	113.6	S118 D126 R134	S118-T128 WeakPolarHBondContact CB-OG1 3.27Å; D126-T128 HydrophobicContact CB-CG2 4.4Å; D126-T128 PolarHBondContact O-N 3.31Å; D126-T128 PolarHBondContact OD1-N 2.92Å; D126-T128 PolarHBondContact OD1-OG1 3.49Å; D126-T128 WeakPolarHBondContact OD2-CG2 3.5Å; D126-T128 PolarHBondContact OD2-OG1 3.27Å; T128-R134 PolarHBondContact O-NH1 2.92Å
129	G	94.1	Very high	93.1	Very high	7 Å²	7	64 Å²	64	7%	0.072	35%	0.349	C	S	.	.	S	Bend	trans	-62.4	-171	-177.6	0	0	0	0	0	116.3	S118 S124 G127 R134	S118-G129 WeakPolarHBondContact O-CA 3.44Å; S124-G129 VanDerWaalsContact CB-CA 3.48Å; G127-G129 VanDerWaalsContact C-N 3.35Å; G129-R134 PolarHBondContact O-NH1 3.18Å; G129-R134 VanDerWaalsContact O-NH1 3.14Å
130	W	97.6	Very high	93.3	Very high	22 Å²	22	63.3 Å²	63.3	8%	0.083	35%	0.345	C	S	.	.			trans	-65.3	138.9	175	-175.5	-104.3	0	0	0	110.8	Y91 N92 P95 P96 L119 R121 R134 V139	Y91-W130 HydrophobicContact CD2-CZ2 4.11Å; Y91-W130 AromaticContact CE2-CH2 3.74Å; Y91-W130 HydrophobicContact CE2-CH2 3.74Å; Y91-W130 AromaticContact CE2-CZ2 3.47Å; Y91-W130 HydrophobicContact CE2-CZ2 3.47Å; Y91-W130 VanDerWaalsContact CE2-CZ2 3.47Å; N92-W130 HydrophobicContact CB-CZ2 4.47Å; N92-W130 PolarHBondContact O-NE1 2.77Å; P95-W130 HydrophobicContact CB-CB 3.84Å; P95-W130 HydrophobicContact CB-CD2 3.54Å; P95-W130 HydrophobicContact CB-CE3 3.73Å; P95-W130 HydrophobicContact CB-CG 3.56Å; P95-W130 HydrophobicContact CG-CB 3.89Å; P95-W130 HydrophobicContact CG-CD2 4.43Å; P95-W130 HydrophobicContact CG-CG 3.95Å; P96-W130 HydrophobicContact CG-CH2 4.44Å; L119-W130 VanDerWaalsContact O-CA 3.3Å; L119-W130 WeakPolarHBondContact O-CA 3.41Å; L119-W130 WeakPolarHBondContact O-CB 3.43Å; L119-W130 PolarHBondContact O-N 2.84Å; R121-W130 PolarHBondContact O-N 3.28Å; W130-R134 HydrophobicContact CE3-CB 3.97Å; W130-R134 HydrophobicContact CH2-CB 3.9Å; W130-R134 WeakPolarHBondContact CH2-O 3.39Å; W130-R134 HydrophobicContact CZ2-CB 4.46Å; W130-R134 HydrophobicContact CZ3-CB 3.63Å; W130-V139 HydrophobicContact CZ3-CG2 3.9Å
131	A	95.8	Very high	93.3	Very high	33 Å²	33	67.3 Å²	67.3	27%	0.273	36%	0.358	S	S	.	.			trans	-139.9	148.1	171.6	0	0	0	0	0	108.3	T133 R134	A131-T133 PolarHBondContact O-N 2.85Å; A131-R134 WeakPolarHBondContact O-CB 3.32Å; A131-R134 PolarHBondContact O-N 2.84Å
132	P	95.3	Very high	93.5	Very high	65 Å²	65	63 Å²	63	42%	0.422	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-11.5	177	-26.2	35.4	0	0	0	114.8	N92 M93 R134	N92-P132 PolarHBondContact ND2-O 2.91Å; M93-P132 HydrophobicContact SD-CG 3.85Å; P132-R134 VanDerWaalsContact C-N 3.35Å
133	T	94.8	Very high	93.9	Very high	125 Å²	125	58.1 Å²	58.1	77%	0.767	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-14.7	172.8	51.4	0	0	0	0	113.7	A131	A131-T133 PolarHBondContact O-N 2.85Å
134	R	96.7	Very high	94.5	Very high	77 Å²	77	51.1 Å²	51.1	29%	0.291	29%	0.29	S	S	.	.			trans	-83.8	149.6	174.7	-64.7	-88	178.3	73.9	-3.5	110	T128 G129 W130 A131 P132 D138	T128-R134 PolarHBondContact O-NH1 2.92Å; G129-R134 PolarHBondContact O-NH1 3.18Å; G129-R134 VanDerWaalsContact O-NH1 3.14Å; W130-R134 HydrophobicContact CE3-CB 3.97Å; W130-R134 HydrophobicContact CH2-CB 3.9Å; W130-R134 WeakPolarHBondContact CH2-O 3.39Å; W130-R134 HydrophobicContact CZ2-CB 4.46Å; W130-R134 HydrophobicContact CZ3-CB 3.63Å; A131-R134 WeakPolarHBondContact O-CB 3.32Å; A131-R134 PolarHBondContact O-N 2.84Å; P132-R134 VanDerWaalsContact C-N 3.35Å; R134-D138 WeakPolarHBondContact CA-OD2 3.25Å
135	T	97.6	Very high	95.3	Very high	37 Å²	37	50.6 Å²	50.6	23%	0.227	29%	0.286	C	S	.	.			trans	-127.5	172.9	-174.5	61.4	0	0	0	0	111.1	E40 K137 D138 V139	E40-T135 HydrophobicContact CG-CG2 4.45Å; E40-T135 VanDerWaalsContact OE2-CA 3.27Å; E40-T135 WeakPolarHBondContact OE2-CA 3.48Å; E40-T135 WeakPolarHBondContact OE2-CB 3.36Å; T135-K137 PolarHBondContact O-N 3.32Å; T135-K137 PolarHBondContact OG1-N 2.98Å; T135-D138 PolarHBondContact N-OD2 3.07Å; T135-D138 PolarHBondContact O-N 2.83Å; T135-D138 VanDerWaalsContact O-N 3.07Å; T135-D138 PolarHBondContact OG1-OD2 2.99Å; T135-V139 PolarHBondContact O-N 3Å
136	L	98.1	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57.3	-30.8	173	-63.5	-174.4	0	0	0	113	L37 E40 V41 L44 F65 V87 P96 V139 V140	L37-L136 HydrophobicContact CD2-CD1 3.65Å; L37-L136 HydrophobicContact CD2-CG 4.43Å; E40-L136 PolarHBondContact OE2-N 3.41Å; V41-L136 HydrophobicContact CG2-CD1 4.2Å; L44-L136 HydrophobicContact CD2-CB 4.3Å; F65-L136 HydrophobicContact CE1-CD1 3.99Å; F65-L136 HydrophobicContact CE1-CD2 4.28Å; V87-L136 HydrophobicContact CG2-CD2 3.82Å; P96-L136 HydrophobicContact CG-CD2 3.72Å; L136-V139 PolarHBondContact O-N 3.18Å; L136-V140 WeakPolarHBondContact O-CG2 3.43Å; L136-V140 PolarHBondContact O-N 3.19Å; L136-V140 VanDerWaalsContact O-N 3.08Å
137	K	97.6	Very high	96.6	Very high	74 Å²	74	37.4 Å²	37.4	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-58.6	-49.6	173.8	178.8	-178.3	172	-179.3	0	110.7	L44 N47 T135 V139 V140 W141	L44-K137 HydrophobicContact CD1-CB 4.37Å; N47-K137 HydrophobicContact CB-CD 4.05Å; T135-K137 PolarHBondContact O-N 3.32Å; T135-K137 PolarHBondContact OG1-N 2.98Å; K137-V139 PolarHBondContact O-N 3.07Å; K137-V140 PolarHBondContact O-N 2.95Å; K137-V140 VanDerWaalsContact O-N 3.14Å; K137-W141 VanDerWaalsContact O-CD1 3.24Å; K137-W141 PolarHBondContact O-N 2.83Å
138	D	97.5	Very high	97	Very high	57 Å²	57	36 Å²	36	31%	0.305	20%	0.196	S	C	.	.	H	α-helix	trans	-61.9	-36	-178.3	-54.7	-55	0	0	0	111.8	R134 T135 G142	R134-D138 WeakPolarHBondContact CA-OD2 3.25Å; T135-D138 PolarHBondContact N-OD2 3.07Å; T135-D138 PolarHBondContact O-N 2.83Å; T135-D138 VanDerWaalsContact O-N 3.07Å; T135-D138 PolarHBondContact OG1-OD2 2.99Å; D138-G142 PolarHBondContact O-N 2.77Å
139	V	98.3	Very high	97.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-49.4	174.3	178.8	0	0	0	0	111	P96 V98 L119 L120 W130 T135 L136 K137 W141 G142 L143	P96-V139 HydrophobicContact CG-CG2 4.25Å; V98-V139 HydrophobicContact CG2-CG1 3.93Å; L119-V139 HydrophobicContact CD1-CB 4.27Å; L119-V139 HydrophobicContact CD1-CG2 3.7Å; L120-V139 HydrophobicContact CD2-CG1 4.08Å; L120-V139 HydrophobicContact CD2-CG2 4.1Å; W130-V139 HydrophobicContact CZ3-CG2 3.9Å; T135-V139 PolarHBondContact O-N 3Å; L136-V139 PolarHBondContact O-N 3.18Å; K137-V139 PolarHBondContact O-N 3.07Å; V139-W141 PolarHBondContact O-N 3.26Å; V139-G142 PolarHBondContact O-N 2.94Å; V139-L143 HydrophobicContact CG1-CD1 3.98Å; V139-L143 HydrophobicContact CG1-CG 4.43Å; V139-L143 WeakPolarHBondContact O-CG 3.47Å; V139-L143 PolarHBondContact O-N 3.49Å
140	V	98.4	Very high	97.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-42.5	-180	171.4	0	0	0	0	111.8	L44 L48 C52 L67 L136 K137 L143 N144	L44-V140 HydrophobicContact CD1-CB 3.97Å; L44-V140 HydrophobicContact CD1-CG1 4.45Å; L44-V140 HydrophobicContact CD1-CG2 3.68Å; L44-V140 HydrophobicContact CD2-CG2 4.26Å; L48-V140 HydrophobicContact CD2-CG1 3.77Å; C52-V140 HydrophobicContact CB-CG1 4.28Å; L67-V140 HydrophobicContact CD1-CG1 3.72Å; L67-V140 HydrophobicContact CD1-CG2 4.13Å; L67-V140 HydrophobicContact CD2-CB 4.39Å; L67-V140 HydrophobicContact CD2-CG1 4.07Å; L67-V140 HydrophobicContact CD2-CG2 4.08Å; L136-V140 WeakPolarHBondContact O-CG2 3.43Å; L136-V140 PolarHBondContact O-N 3.19Å; L136-V140 VanDerWaalsContact O-N 3.08Å; K137-V140 PolarHBondContact O-N 2.95Å; K137-V140 VanDerWaalsContact O-N 3.14Å; V140-L143 PolarHBondContact O-N 3.46Å; V140-N144 PolarHBondContact O-N 3.48Å
141	W	98.2	Very high	97.3	Very high	115 Å²	115	44.3 Å²	44.3	44%	0.436	24%	0.238	S	C	.	.	H	α-helix	trans	-62.7	-43.7	175.5	-82.7	88	0	0	0	111.7	N47 P49 K137 V139 L143 N144 S145	N47-W141 PolarHBondContact O-NE1 2.89Å; P49-W141 HydrophobicContact CB-CH2 4.38Å; P49-W141 HydrophobicContact CB-CZ2 4.47Å; P49-W141 HydrophobicContact CG-CD2 3.83Å; P49-W141 HydrophobicContact CG-CE3 4.03Å; P49-W141 HydrophobicContact CG-CG 4.41Å; P49-W141 HydrophobicContact CG-CH2 4.02Å; P49-W141 HydrophobicContact CG-CZ2 3.81Å; P49-W141 HydrophobicContact CG-CZ3 4.12Å; K137-W141 VanDerWaalsContact O-CD1 3.24Å; K137-W141 PolarHBondContact O-N 2.83Å; V139-W141 PolarHBondContact O-N 3.26Å; W141-L143 PolarHBondContact O-N 3.32Å; W141-N144 PolarHBondContact O-N 3.49Å; W141-S145 PolarHBondContact O-N 2.91Å; W141-S145 PolarHBondContact O-OG 3.34Å
142	G	98.2	Very high	97.3	Very high	7 Å²	7	45.6 Å²	45.6	7%	0.072	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-42.5	175.7	0	0	0	0	0	113.2	D138 V139 S145 L146	D138-G142 PolarHBondContact O-N 2.77Å; V139-G142 PolarHBondContact O-N 2.94Å; G142-S145 PolarHBondContact O-N 3.27Å; G142-L146 PolarHBondContact O-N 3.33Å; G142-L146 VanDerWaalsContact O-N 3.16Å
143	L	98.6	Very high	97.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-39.9	175.8	-69.3	168.9	0	0	0	112.2	L67 F83 V98 I115 L117 V139 V140 W141 S145 L146 F147	L67-L143 HydrophobicContact CD2-CB 4.15Å; L67-L143 HydrophobicContact CD2-CD1 3.65Å; F83-L143 HydrophobicContact CD1-CD2 4.2Å; F83-L143 HydrophobicContact CE1-CD2 4.15Å; V98-L143 HydrophobicContact CG1-CD1 3.8Å; V98-L143 HydrophobicContact CG1-CD2 4.06Å; I115-L143 HydrophobicContact CD1-CD2 3.98Å; I115-L143 HydrophobicContact CG2-CD2 4.18Å; L117-L143 HydrophobicContact CD2-CD2 4.03Å; L117-L143 HydrophobicContact CD2-CG 4.15Å; V139-L143 HydrophobicContact CG1-CD1 3.98Å; V139-L143 HydrophobicContact CG1-CG 4.43Å; V139-L143 WeakPolarHBondContact O-CG 3.47Å; V139-L143 PolarHBondContact O-N 3.49Å; V140-L143 PolarHBondContact O-N 3.46Å; W141-L143 PolarHBondContact O-N 3.32Å; L143-S145 VanDerWaalsContact C-N 3.35Å; L143-L146 HydrophobicContact CD2-CD1 4.18Å; L143-L146 WeakPolarHBondContact O-CB 3.3Å; L143-L146 PolarHBondContact O-N 2.98Å; L143-F147 WeakPolarHBondContact O-CD2 3.3Å; L143-F147 WeakPolarHBondContact O-CE2 3.42Å
144	N	98.5	Very high	97.3	Very high	19 Å²	19	46.1 Å²	46.1	10%	0.102	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-43.3	174.1	-176.1	70.8	0	0	0	111.4	P49 T51 V69 V140 W141 L146 F147	P49-N144 HydrophobicContact CG-CB 4.44Å; T51-N144 PolarHBondContact OG1-OD1 2.88Å; V69-N144 HydrophobicContact CG1-CB 4.48Å; V69-N144 WeakPolarHBondContact CG1-OD1 3.27Å; V140-N144 PolarHBondContact O-N 3.48Å; W141-N144 PolarHBondContact O-N 3.49Å; N144-L146 PolarHBondContact O-N 3.02Å; N144-F147 PolarHBondContact O-N 3.45Å
145	S	98.2	Very high	97	Very high	23 Å²	23	47.5 Å²	47.5	16%	0.161	25%	0.245	C	C	.	.	H	α-helix	trans	-69.6	-16.2	-179.6	-65.3	0	0	0	0	114.1	W141 G142 L143 F147 T148 D149 L150	W141-S145 PolarHBondContact O-N 2.91Å; W141-S145 PolarHBondContact O-OG 3.34Å; G142-S145 PolarHBondContact O-N 3.27Å; L143-S145 VanDerWaalsContact C-N 3.35Å; S145-F147 PolarHBondContact O-N 3.18Å; S145-T148 CarbonylContact O-C 3.31Å; S145-T148 VanDerWaalsContact O-C 3.31Å; S145-T148 PolarHBondContact O-N 2.97Å; S145-D149 PolarHBondContact O-N 3Å; S145-L150 WeakPolarHBondContact O-CA 3.28Å; S145-L150 WeakPolarHBondContact O-CB 3.5Å; S145-L150 PolarHBondContact O-N 3.47Å
146	L	98.2	Very high	96.9	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25	172.1	-73.4	177	0	0	0	112.6	H106 N108 I109 I115 L117 G142 L143 N144 L150 L151	H106-L146 PolarHBondContact CE1-O 3.16Å; H106-L146 PolarHBondContact NE2-O 2.89Å; N108-L146 HydrophobicContact CB-CD2 4.13Å; I109-L146 HydrophobicContact CD1-CD1 4.19Å; I109-L146 HydrophobicContact CG1-CD1 4.24Å; I115-L146 HydrophobicContact CG2-CD1 3.63Å; L117-L146 HydrophobicContact CD1-CD2 3.99Å; L117-L146 HydrophobicContact CD1-CG 4.18Å; G142-L146 PolarHBondContact O-N 3.33Å; G142-L146 VanDerWaalsContact O-N 3.16Å; L143-L146 HydrophobicContact CD2-CD1 4.18Å; L143-L146 WeakPolarHBondContact O-CB 3.3Å; L143-L146 PolarHBondContact O-N 2.98Å; N144-L146 PolarHBondContact O-N 3.02Å; L146-L150 HydrophobicContact CD2-CB 4.2Å; L146-L151 WeakPolarHBondContact O-CA 3.24Å; L146-L151 WeakPolarHBondContact O-CB 3.46Å
147	F	98.5	Very high	96.9	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-7.1	177.1	-58.7	-83.2	0	0	0	113.3	V69 P71 Y76 F81 F83 I104 I109 L143 N144 S145	V69-F147 HydrophobicContact CB-CE2 4.01Å; V69-F147 HydrophobicContact CG1-CD2 3.79Å; V69-F147 HydrophobicContact CG1-CE2 3.79Å; V69-F147 HydrophobicContact CG2-CE2 4.4Å; P71-F147 HydrophobicContact CB-CB 4.09Å; P71-F147 HydrophobicContact CG-CB 3.62Å; P71-F147 HydrophobicContact CG-CD1 3.79Å; P71-F147 HydrophobicContact CG-CD2 4.05Å; P71-F147 HydrophobicContact CG-CE1 4.44Å; P71-F147 HydrophobicContact CG-CG 3.54Å; Y76-F147 HydrophobicContact CD1-CD1 4.46Å; Y76-F147 HydrophobicContact CD2-CB 4.38Å; Y76-F147 AromaticContact CD2-CD1 3.74Å; Y76-F147 HydrophobicContact CD2-CD1 3.74Å; Y76-F147 HydrophobicContact CE2-CD1 4.49Å; Y76-F147 AromaticContact CG-CD1 3.72Å; Y76-F147 HydrophobicContact CG-CD1 3.72Å; Y76-F147 HydrophobicContact CG-CE1 4.33Å; F81-F147 HydrophobicContact CB-CE1 4.33Å; F81-F147 HydrophobicContact CB-CZ 3.75Å; F81-F147 HydrophobicContact CD1-CE1 4.31Å; F81-F147 HydrophobicContact CD2-CD1 4.16Å; F81-F147 AromaticContact CD2-CE1 3.38Å; F81-F147 HydrophobicContact CD2-CE1 3.38Å; F81-F147 HydrophobicContact CD2-CE2 4.45Å; F81-F147 AromaticContact CD2-CZ 3.56Å; F81-F147 HydrophobicContact CD2-CZ 3.56Å; F81-F147 HydrophobicContact CE2-CD1 4.15Å; F81-F147 AromaticContact CE2-CE1 3.66Å; F81-F147 HydrophobicContact CE2-CE1 3.66Å; F81-F147 HydrophobicContact CE2-CZ 4.31Å; F81-F147 AromaticContact CG-CE1 3.73Å; F81-F147 HydrophobicContact CG-CE1 3.73Å; F81-F147 AromaticContact CG-CZ 3.66Å; F81-F147 HydrophobicContact CG-CZ 3.66Å; F81-F147 HydrophobicContact CZ-CE1 4.22Å; F83-F147 HydrophobicContact CE2-CE2 4.04Å; F83-F147 HydrophobicContact CE2-CZ 4.09Å; F83-F147 AromaticContact CZ-CE2 3.86Å; F83-F147 HydrophobicContact CZ-CE2 3.86Å; F83-F147 AromaticContact CZ-CZ 3.77Å; F83-F147 HydrophobicContact CZ-CZ 3.77Å; I104-F147 HydrophobicContact CD1-CE1 3.66Å; I104-F147 HydrophobicContact CD1-CZ 4.4Å; I109-F147 HydrophobicContact CD1-CZ 4.2Å; L143-F147 WeakPolarHBondContact O-CD2 3.3Å; L143-F147 WeakPolarHBondContact O-CE2 3.42Å; N144-F147 PolarHBondContact O-N 3.45Å; S145-F147 PolarHBondContact O-N 3.18Å
148	T	96.6	Very high	96.9	Very high	36 Å²	36	48.1 Å²	48.1	22%	0.221	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-105.8	-176.5	62.1	0	0	0	0	110.9	E73 S145 L150 L151	E73-T148 HydrophobicContact CG-CG2 3.82Å; S145-T148 CarbonylContact O-C 3.31Å; S145-T148 VanDerWaalsContact O-C 3.31Å; S145-T148 PolarHBondContact O-N 2.97Å; T148-L150 VanDerWaalsContact C-N 3.33Å; T148-L150 PolarHBondContact O-N 3.41Å; T148-L151 VanDerWaalsContact O-CB 3.26Å; T148-L151 WeakPolarHBondContact O-CB 3.31Å; T148-L151 PolarHBondContact O-N 3.34Å
149	D	95.4	Very high	96.9	Very high	142 Å²	142	50.4 Å²	50.4	76%	0.759	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.5	-169.3	-59.8	-43	0	0	0	114	S145	S145-D149 PolarHBondContact O-N 3Å
150	L	96.6	Very high	96.9	Very high	80 Å²	80	56.7 Å²	56.7	42%	0.419	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	6.7	178.9	-60.1	-178.6	0	0	0	112.9	L117 S145 L146 T148 N152	L117-L150 HydrophobicContact CD1-CD1 3.9Å; S145-L150 WeakPolarHBondContact O-CA 3.28Å; S145-L150 WeakPolarHBondContact O-CB 3.5Å; S145-L150 PolarHBondContact O-N 3.47Å; L146-L150 HydrophobicContact CD2-CB 4.2Å; T148-L150 VanDerWaalsContact C-N 3.33Å; T148-L150 PolarHBondContact O-N 3.41Å; L150-N152 PolarHBondContact O-N 2.88Å; L150-N152 VanDerWaalsContact O-N 3.07Å
151	L	97.3	Very high	96.9	Very high	34 Å²	34	56.7 Å²	56.7	18%	0.178	29%	0.292	C	S	.	.			trans	-66	106.9	170.4	179.5	64.2	0	0	0	109.2	Y75 Y76 H106 P107 L146 T148 F153	Y75-L151 HydrophobicContact CD2-CD2 3.68Å; Y75-L151 HydrophobicContact CE2-CD2 4.06Å; Y76-L151 HydrophobicContact CE2-CD1 4.03Å; Y76-L151 HydrophobicContact CE2-CD2 4.2Å; H106-L151 WeakPolarHBondContact NE2-CD1 3.26Å; P107-L151 HydrophobicContact CG-CD1 3.48Å; P107-L151 VanDerWaalsContact CG-CD1 3.48Å; L146-L151 WeakPolarHBondContact O-CA 3.24Å; L146-L151 WeakPolarHBondContact O-CB 3.46Å; T148-L151 VanDerWaalsContact O-CB 3.26Å; T148-L151 WeakPolarHBondContact O-CB 3.31Å; T148-L151 PolarHBondContact O-N 3.34Å; L151-F153 HydrophobicContact CD1-CE2 4.33Å; L151-F153 HydrophobicContact CD1-CZ 4.29Å; L151-F153 HydrophobicContact CD2-CE2 3.89Å; L151-F153 HydrophobicContact CD2-CZ 4.14Å; L151-F153 HydrophobicContact CG-CE2 3.8Å; L151-F153 HydrophobicContact CG-CZ 4.2Å
152	N	94.4	Very high	96.9	Very high	60 Å²	60	51.7 Å²	51.7	32%	0.321	28%	0.276	S	S	.	.			trans	-124.4	130.3	-173.1	-174.9	16	0	0	0	112.4	P107 N108 L150 D154	P107-N152 WeakPolarHBondContact CB-O 3.38Å; N108-N152 PolarHBondContact ND2-O 3.19Å; N108-N152 PolarHBondContact OD1-N 3.33Å; N108-N152 PolarHBondContact OD1-O 3.13Å; L150-N152 PolarHBondContact O-N 2.88Å; L150-N152 VanDerWaalsContact O-N 3.07Å; N152-D154 PolarHBondContact OD1-N 3.08Å
153	F	96.8	Very high	96.9	Very high	46 Å²	46	56.5 Å²	56.5	20%	0.202	30%	0.296	C	S	.	.	S	Bend	trans	-104.1	-9.7	178.9	-64.7	-85.2	0	0	0	113.8	Y75 P107 L151 A162 H165 F172	Y75-F153 HydrophobicContact CE2-CZ 4.41Å; P107-F153 HydrophobicContact CB-CD1 3.84Å; P107-F153 HydrophobicContact CB-CE1 4.04Å; P107-F153 HydrophobicContact CG-CD1 3.83Å; P107-F153 HydrophobicContact CG-CE1 3.65Å; P107-F153 HydrophobicContact CG-CG 4.38Å; P107-F153 HydrophobicContact CG-CZ 4.03Å; L151-F153 HydrophobicContact CD1-CE2 4.33Å; L151-F153 HydrophobicContact CD1-CZ 4.29Å; L151-F153 HydrophobicContact CD2-CE2 3.89Å; L151-F153 HydrophobicContact CD2-CZ 4.14Å; L151-F153 HydrophobicContact CG-CE2 3.8Å; L151-F153 HydrophobicContact CG-CZ 4.2Å; F153-A162 HydrophobicContact CD1-CB 4.13Å; F153-H165 HydrophobicContact CD1-CB 3.81Å; F153-H165 AromaticContact CD1-CG 3.89Å; F153-H165 AromaticContact CD1-ND1 3.99Å; F153-H165 HydrophobicContact CE1-CB 3.49Å; F153-H165 VanDerWaalsContact CE1-CB 3.49Å; F153-H165 AromaticContact CE1-CD2 3.82Å; F153-H165 AromaticContact CE1-CG 3.49Å; F153-H165 VanDerWaalsContact CE1-CG 3.49Å; F153-H165 AromaticContact CE1-ND1 3.97Å; F153-H165 AromaticContact CE2-CE1 3.99Å; F153-H165 HydrophobicContact CZ-CB 4.21Å; F153-H165 AromaticContact CZ-CD2 3.62Å; F153-H165 AromaticContact CZ-CG 3.73Å; F153-H165 AromaticContact CZ-NE2 3.87Å; F153-F172 HydrophobicContact CE1-CE2 4.28Å; F153-F172 HydrophobicContact CE1-CZ 4.06Å; F153-F172 HydrophobicContact CZ-CE1 4.38Å; F153-F172 HydrophobicContact CZ-CZ 4.17Å
154	D	92.9	Very high	96.9	Very high	154 Å²	154	57.3 Å²	57.3	82%	0.824	30%	0.3	S	S	*	.	S	Bend	trans	-80.9	-36.7	-174.2	-64.6	-30.8	0	0	0	113.2	N152 P156	N152-D154 PolarHBondContact OD1-N 3.08Å; D154-P156 VanDerWaalsContact C-CD 3.46Å
155	D	91.2	Very high	96.9	Very high	106 Å²	106	57.3 Å²	57.3	57%	0.567	30%	0.3	S	S	*	.	S	Bend	trans	-127	67.8	174.8	-173.3	31.4	0	0	0	110.1
156	P	96.1	Very high	96.9	Very high	29 Å²	29	63.2 Å²	63.2	19%	0.188	33%	0.329	C	S	.	.			trans	-81.1	145.7	-171.9	35.2	-36.5	0	0	0	111.3	P107 D154 A162	P107-P156 HydrophobicContact CB-CB 3.97Å; P107-P156 CarbonylContact O-C 3.57Å; D154-P156 VanDerWaalsContact C-CD 3.46Å; P156-A162 HydrophobicContact CB-CB 3.7Å; P156-A162 HydrophobicContact CG-CB 3.55Å
157	L	96.8	Very high	96.9	Very high	77 Å²	77	72.1 Å²	72.1	40%	0.403	36%	0.362	S	S	.	.	S	Bend	trans	-76.6	-34.2	167.7	-172.8	63.1	0	0	0	111.2	P107 T110 E114 C116	P107-L157 PolarHBondContact O-N 3.17Å; T110-L157 HydrophobicContact CG2-CD2 3.65Å; T110-L157 HydrophobicContact CG2-CG 3.7Å; E114-L157 HydrophobicContact CB-CD2 3.99Å; C116-L157 HydrophobicContact CB-CB 3.87Å; C116-L157 HydrophobicContact CB-CD2 4.09Å; C116-L157 HydrophobicContact CB-CG 4.46Å
158	N	97.9	Very high	96.9	Very high	19 Å²	19	75.5 Å²	75.5	10%	0.102	38%	0.38	C	S	.	.	S	Bend	trans	-105.1	92.6	174.2	-176.1	-13.3	0	0	0	109.3	H106 P107 E160 A161 A162	H106-N158 WeakPolarHBondContact O-CB 3.37Å; H106-N158 PolarHBondContact O-ND2 3.38Å; P107-N158 PolarHBondContact O-N 3.11Å; N158-E160 VanDerWaalsContact C-N 3.29Å; N158-E160 PolarHBondContact O-N 2.96Å; N158-E160 PolarHBondContact OD1-N 3.29Å; N158-A161 HydrophobicContact CB-CB 4.1Å; N158-A161 PolarHBondContact O-N 3.19Å; N158-A161 PolarHBondContact OD1-N 2.86Å; N158-A161 VanDerWaalsContact OD1-N 3.09Å; N158-A162 PolarHBondContact O-N 3.28Å
159	I	98.2	Very high	97	Very high	105 Å²	105	79.3 Å²	79.3	54%	0.538	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-40.1	-178.5	-60	171.7	0	0	0	110.8	A161 A162 E163	I159-A161 VanDerWaalsContact C-N 3.34Å; I159-A161 PolarHBondContact O-N 2.94Å; I159-A162 PolarHBondContact O-N 2.9Å; I159-A162 VanDerWaalsContact O-N 3.13Å; I159-E163 HydrophobicContact CG2-CG 4.03Å; I159-E163 WeakPolarHBondContact O-CG 3.36Å; I159-E163 PolarHBondContact O-N 3.43Å
160	E	98.3	Very high	97.1	Very high	132 Å²	132	79.1 Å²	79.1	62%	0.617	39%	0.388	S	S	*	.	H	α-helix	trans	-62.9	-40.1	-179.2	-61.3	-174.6	177.1	0	0	112.2	W105 N158 A162 H164	W105-E160 HydrophobicContact CH2-CB 3.7Å; W105-E160 HydrophobicContact CZ2-CB 4.25Å; N158-E160 VanDerWaalsContact C-N 3.29Å; N158-E160 PolarHBondContact O-N 2.96Å; N158-E160 PolarHBondContact OD1-N 3.29Å; E160-A162 VanDerWaalsContact C-N 3.31Å; E160-A162 PolarHBondContact O-N 2.98Å; E160-H164 WeakPolarHBondContact O-CB 3.12Å; E160-H164 PolarHBondContact O-N 2.94Å
161	A	98.4	Very high	97.2	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-63.9	-38.4	175.9	0	0	0	0	0	111.9	W105 N158 I159 H165 F172	W105-A161 HydrophobicContact CD2-CB 4.16Å; W105-A161 VanDerWaalsContact CZ2-CA 3.48Å; W105-A161 HydrophobicContact CZ2-CB 4.06Å; N158-A161 HydrophobicContact CB-CB 4.1Å; N158-A161 PolarHBondContact O-N 3.19Å; N158-A161 PolarHBondContact OD1-N 2.86Å; N158-A161 VanDerWaalsContact OD1-N 3.09Å; I159-A161 VanDerWaalsContact C-N 3.34Å; I159-A161 PolarHBondContact O-N 2.94Å; A161-H165 PolarHBondContact O-N 2.9Å; A161-H165 VanDerWaalsContact O-N 3.1Å; A161-F172 HydrophobicContact CB-CE2 4.42Å; A161-F172 WeakPolarHBondContact O-CE2 3.36Å
162	A	98.4	Very high	97.3	Very high	11 Å²	11	77.7 Å²	77.7	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-72.9	-44.7	178.1	0	0	0	0	0	113.2	P107 F153 P156 N158 I159 E160 H164 H165 L166	P107-A162 HydrophobicContact CB-CB 4.42Å; F153-A162 HydrophobicContact CD1-CB 4.13Å; P156-A162 HydrophobicContact CB-CB 3.7Å; P156-A162 HydrophobicContact CG-CB 3.55Å; N158-A162 PolarHBondContact O-N 3.28Å; I159-A162 PolarHBondContact O-N 2.9Å; I159-A162 VanDerWaalsContact O-N 3.13Å; E160-A162 VanDerWaalsContact C-N 3.31Å; E160-A162 PolarHBondContact O-N 2.98Å; A162-H164 VanDerWaalsContact C-N 3.25Å; A162-H164 PolarHBondContact O-N 2.51Å; A162-H165 PolarHBondContact O-N 3.18Å; A162-L166 WeakPolarHBondContact O-CB 3.12Å; A162-L166 PolarHBondContact O-N 2.86Å
163	E	98.4	Very high	97.5	Very high	108 Å²	108	81 Å²	81	51%	0.505	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-34.8	174.3	-72.5	-177	170.4	0	0	112.1	I159 R167	I159-E163 HydrophobicContact CG2-CG 4.03Å; I159-E163 WeakPolarHBondContact O-CG 3.36Å; I159-E163 PolarHBondContact O-N 3.43Å; E163-R167 VanDerWaalsContact O-CB 3.28Å; E163-R167 WeakPolarHBondContact O-CB 3.39Å; E163-R167 PolarHBondContact O-N 3.31Å
164	H	98.6	Very high	97.6	Very high	17 Å²	17	83 Å²	83	8%	0.079	40%	0.401	C	S	.	.	H	α-helix	trans	-62.4	-50.4	173.1	-174.9	-172.2	0	0	0	110.6	W105 E160 A162 L166 R167 D168 D171 F172	W105-H164 AromaticContact CE2-ND1 3.77Å; W105-H164 HydrophobicContact CZ2-CB 4.11Å; W105-H164 AromaticContact CZ2-ND1 3.87Å; W105-H164 AromaticContact NE1-ND1 3.26Å; W105-H164 PolarHBondContact NE1-ND1 3.39Å; E160-H164 WeakPolarHBondContact O-CB 3.12Å; E160-H164 PolarHBondContact O-N 2.94Å; A162-H164 VanDerWaalsContact C-N 3.25Å; A162-H164 PolarHBondContact O-N 2.51Å; H164-L166 VanDerWaalsContact C-N 3.32Å; H164-L166 PolarHBondContact O-N 2.83Å; H164-R167 PolarHBondContact O-N 2.9Å; H164-D168 PolarHBondContact O-N 3.32Å; H164-D171 IonicContact CE1-OD2 3.61Å; H164-D171 IonicContact NE2-OD2 3.03Å; H164-D171 PolarHBondContact NE2-OD2 2.95Å; H164-F172 HydrophobicContact CB-CD2 4.39Å; H164-F172 PolarHBondContact NE2-N 2.58Å
165	H	98.6	Very high	97.9	Very high	19 Å²	19	78.7 Å²	78.7	9%	0.088	38%	0.376	C	S	.	.	H	α-helix	trans	-59.4	-40.7	176.6	-177.7	-93.3	0	0	0	113.1	Y75 F153 A161 A162 R167 K169 F172	Y75-H165 AromaticContact CE2-NE2 3.97Å; Y75-H165 AromaticContact CZ-NE2 3.71Å; Y75-H165 PolarHBondContact OH-NE2 3.3Å; Y75-H165 VanDerWaalsContact OH-NE2 3.11Å; F153-H165 HydrophobicContact CD1-CB 3.81Å; F153-H165 AromaticContact CD1-CG 3.89Å; F153-H165 AromaticContact CD1-ND1 3.99Å; F153-H165 HydrophobicContact CE1-CB 3.49Å; F153-H165 VanDerWaalsContact CE1-CB 3.49Å; F153-H165 AromaticContact CE1-CD2 3.82Å; F153-H165 AromaticContact CE1-CG 3.49Å; F153-H165 VanDerWaalsContact CE1-CG 3.49Å; F153-H165 AromaticContact CE1-ND1 3.97Å; F153-H165 AromaticContact CE2-CE1 3.99Å; F153-H165 HydrophobicContact CZ-CB 4.21Å; F153-H165 AromaticContact CZ-CD2 3.62Å; F153-H165 AromaticContact CZ-CG 3.73Å; F153-H165 AromaticContact CZ-NE2 3.87Å; A161-H165 PolarHBondContact O-N 2.9Å; A161-H165 VanDerWaalsContact O-N 3.1Å; A162-H165 PolarHBondContact O-N 3.18Å; H165-R167 VanDerWaalsContact C-N 3.33Å; H165-R167 PolarHBondContact O-N 2.89Å; H165-K169 WeakPolarHBondContact O-CG 3.45Å; H165-F172 HydrophobicContact CB-CB 4.46Å; H165-F172 HydrophobicContact CB-CD2 3.82Å; H165-F172 HydrophobicContact CB-CE2 4.19Å; H165-F172 HydrophobicContact CB-CG 4.01Å; H165-F172 AromaticContact CD2-CD1 3.72Å; H165-F172 AromaticContact CD2-CG 3.98Å
166	L	98.1	Very high	98.2	Very high	147 Å²	147	73.8 Å²	73.8	77%	0.77	35%	0.349	S	S	*	.	H	α-helix	trans	-63.7	-40	178.7	-178.2	63.5	0	0	0	112	A162 H164	A162-L166 WeakPolarHBondContact O-CB 3.12Å; A162-L166 PolarHBondContact O-N 2.86Å; H164-L166 VanDerWaalsContact C-N 3.32Å; H164-L166 PolarHBondContact O-N 2.83Å
167	R	98.3	Very high	98.3	Very high	190 Å²	190	75.8 Å²	75.8	72%	0.717	36%	0.359	S	S	*	.	H	α-helix	trans	-76.3	-47.7	-177.8	-174.8	-174.2	-10.1	176.9	3	112.4	E163 H164 H165	E163-R167 VanDerWaalsContact O-CB 3.28Å; E163-R167 WeakPolarHBondContact O-CB 3.39Å; E163-R167 PolarHBondContact O-N 3.31Å; H164-R167 PolarHBondContact O-N 2.9Å; H165-R167 VanDerWaalsContact C-N 3.33Å; H165-R167 PolarHBondContact O-N 2.89Å
168	D	98.1	Very high	98.4	Very high	73 Å²	73	74.8 Å²	74.8	39%	0.39	35%	0.353	S	S	.	.			trans	-150.8	107.3	-176.9	-167.4	-28.6	0	0	0	111	H164 E170 D171 F172	H164-D168 PolarHBondContact O-N 3.32Å; D168-E170 VanDerWaalsContact C-N 3.34Å; D168-E170 WeakPolarHBondContact OD1-CA 3.42Å; D168-E170 PolarHBondContact OD1-N 3.21Å; D168-D171 HydrophobicContact CB-CB 4.04Å; D168-D171 PolarHBondContact OD1-N 3.01Å; D168-F172 VanDerWaalsContact O-CB 3.3Å; D168-F172 WeakPolarHBondContact O-CB 3.44Å; D168-F172 PolarHBondContact O-N 2.68Å; D168-F172 VanDerWaalsContact O-N 3.07Å
169	K	98.2	Very high	98.5	Very high	117 Å²	117	75.2 Å²	75.2	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-74.2	-24.6	-179.7	-65.4	-176.3	-178.6	-178.5	0	113	H165 R173	H165-K169 WeakPolarHBondContact O-CG 3.45Å; K169-R173 VanDerWaalsContact O-CG 3.26Å; K169-R173 WeakPolarHBondContact O-CG 3.41Å; K169-R173 PolarHBondContact O-N 3.39Å
170	E	98.4	Very high	98.5	Very high	138 Å²	138	71.1 Å²	71.1	65%	0.645	33%	0.333	S	S	*	.	H	α-helix	trans	-78.9	-46.3	179	-172.9	175.8	179.4	0	0	109.9	D168 F172 R173 N174	D168-E170 VanDerWaalsContact C-N 3.34Å; D168-E170 WeakPolarHBondContact OD1-CA 3.42Å; D168-E170 PolarHBondContact OD1-N 3.21Å; E170-F172 VanDerWaalsContact C-N 3.3Å; E170-F172 PolarHBondContact O-N 2.87Å; E170-R173 WeakPolarHBondContact O-CB 3.34Å; E170-R173 PolarHBondContact O-N 3.13Å; E170-R173 VanDerWaalsContact O-N 3.13Å; E170-N174 PolarHBondContact O-N 3Å; E170-N174 PolarHBondContact O-ND2 3.22Å
171	D	98.6	Very high	98.5	Very high	84 Å²	84	70.8 Å²	70.8	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-64.8	-36.1	175.5	-164	50.4	0	0	0	112	H164 D168 R173 N174 K175	H164-D171 IonicContact CE1-OD2 3.61Å; H164-D171 IonicContact NE2-OD2 3.03Å; H164-D171 PolarHBondContact NE2-OD2 2.95Å; D168-D171 HydrophobicContact CB-CB 4.04Å; D168-D171 PolarHBondContact OD1-N 3.01Å; D171-R173 VanDerWaalsContact C-N 3.33Å; D171-R173 PolarHBondContact O-N 3.34Å; D171-N174 PolarHBondContact O-N 3.26Å; D171-K175 PolarHBondContact O-N 2.56Å
172	F	98.8	Very high	98.5	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-55.8	-47.3	171	176.5	-90.6	0	0	0	111.8	Y75 W105 F153 A161 H164 H165 D168 E170 K175 V176	Y75-F172 HydrophobicContact CD1-CE1 4.39Å; Y75-F172 HydrophobicContact CD2-CE1 4.12Å; Y75-F172 HydrophobicContact CE2-CE1 4.43Å; Y75-F172 HydrophobicContact CG-CE1 4.11Å; W105-F172 AromaticContact CD1-CD2 3.76Å; W105-F172 AromaticContact CD1-CE2 3.49Å; W105-F172 VanDerWaalsContact CD1-CE2 3.49Å; W105-F172 AromaticContact NE1-CD2 3.56Å; W105-F172 AromaticContact NE1-CE2 3.56Å; F153-F172 HydrophobicContact CE1-CE2 4.28Å; F153-F172 HydrophobicContact CE1-CZ 4.06Å; F153-F172 HydrophobicContact CZ-CE1 4.38Å; F153-F172 HydrophobicContact CZ-CZ 4.17Å; A161-F172 HydrophobicContact CB-CE2 4.42Å; A161-F172 WeakPolarHBondContact O-CE2 3.36Å; H164-F172 HydrophobicContact CB-CD2 4.39Å; H164-F172 PolarHBondContact NE2-N 2.58Å; H165-F172 HydrophobicContact CB-CB 4.46Å; H165-F172 HydrophobicContact CB-CD2 3.82Å; H165-F172 HydrophobicContact CB-CE2 4.19Å; H165-F172 HydrophobicContact CB-CG 4.01Å; H165-F172 AromaticContact CD2-CD1 3.72Å; H165-F172 AromaticContact CD2-CG 3.98Å; D168-F172 VanDerWaalsContact O-CB 3.3Å; D168-F172 WeakPolarHBondContact O-CB 3.44Å; D168-F172 PolarHBondContact O-N 2.68Å; D168-F172 VanDerWaalsContact O-N 3.07Å; E170-F172 VanDerWaalsContact C-N 3.3Å; E170-F172 PolarHBondContact O-N 2.87Å; F172-K175 PolarHBondContact O-N 3.15Å; F172-V176 HydrophobicContact CD1-CG2 4.12Å; F172-V176 HydrophobicContact CE1-CG2 3.65Å; F172-V176 HydrophobicContact CE2-CG2 4.34Å; F172-V176 HydrophobicContact CZ-CG2 3.76Å; F172-V176 WeakPolarHBondContact O-CG2 3.5Å; F172-V176 PolarHBondContact O-N 3.47Å
173	R	98.6	Very high	98.5	Very high	130 Å²	130	82.8 Å²	82.8	49%	0.491	37%	0.373	S	S	.	.	H	α-helix	trans	-60.4	-46.9	176.6	-72.2	170.6	-161.3	-145.6	-4.5	111.3	Y75 K169 E170 D171 K175 V176 D177	Y75-R173 HydrophobicContact CD1-CG 3.62Å; Y75-R173 HydrophobicContact CE1-CG 3.58Å; K169-R173 VanDerWaalsContact O-CG 3.26Å; K169-R173 WeakPolarHBondContact O-CG 3.41Å; K169-R173 PolarHBondContact O-N 3.39Å; E170-R173 WeakPolarHBondContact O-CB 3.34Å; E170-R173 PolarHBondContact O-N 3.13Å; E170-R173 VanDerWaalsContact O-N 3.13Å; D171-R173 VanDerWaalsContact C-N 3.33Å; D171-R173 PolarHBondContact O-N 3.34Å; R173-K175 VanDerWaalsContact C-N 3.27Å; R173-K175 PolarHBondContact O-N 3.41Å; R173-V176 PolarHBondContact O-N 3.25Å; R173-V176 VanDerWaalsContact O-N 3.16Å; R173-D177 PolarHBondContact O-N 3.07Å
174	N	98.6	Very high	98.4	Very high	86 Å²	86	77.8 Å²	77.8	46%	0.46	35%	0.35	S	S	.	.	H	α-helix	trans	-59.9	-39.8	179.7	-68.4	-32.9	0	0	0	111.7	E170 D171 D177 D178	E170-N174 PolarHBondContact O-N 3Å; E170-N174 PolarHBondContact O-ND2 3.22Å; D171-N174 PolarHBondContact O-N 3.26Å; N174-D177 PolarHBondContact O-N 3.1Å; N174-D178 WeakPolarHBondContact O-CB 3.26Å; N174-D178 PolarHBondContact O-N 2.85Å
175	K	98.7	Very high	97.9	Very high	65 Å²	65	87.1 Å²	87.1	28%	0.283	39%	0.385	S	S	.	.	H	α-helix	trans	-67.8	-41.8	175.3	-176.3	164.5	-179.8	159.8	0	112.4	W105 D171 F172 R173 D177 D178 Y179	W105-K175 HydrophobicContact CD2-CD 3.93Å; W105-K175 VanDerWaalsContact CD2-CE 3.48Å; W105-K175 HydrophobicContact CD2-CG 4.37Å; W105-K175 HydrophobicContact CG-CD 4.11Å; W105-K175 HydrophobicContact CG-CG 4.05Å; W105-K175 HydrophobicContact CZ2-CD 4.23Å; D171-K175 PolarHBondContact O-N 2.56Å; F172-K175 PolarHBondContact O-N 3.15Å; R173-K175 VanDerWaalsContact C-N 3.27Å; R173-K175 PolarHBondContact O-N 3.41Å; K175-D177 VanDerWaalsContact C-N 3.34Å; K175-D178 PolarHBondContact O-N 2.55Å; K175-Y179 HydrophobicContact CD-CE2 4.42Å; K175-Y179 HydrophobicContact CG-CD2 4.05Å; K175-Y179 HydrophobicContact CG-CE2 3.92Å; K175-Y179 VanDerWaalsContact O-CD2 3.26Å; K175-Y179 WeakPolarHBondContact O-CD2 3.32Å; K175-Y179 PolarHBondContact O-N 3.38Å
176	V	98.8	Very high	97.8	Very high	2 Å²	2	90.6 Å²	90.6	1%	0.012	40%	0.4	C	S	.	.	H	α-helix	trans	-58.8	-47	173.6	170.7	0	0	0	0	110.5	Y75 Y76 W105 F172 R173 D178 Y179 I180	Y75-V176 VanDerWaalsContact O-CG1 3.3Å; Y75-V176 WeakPolarHBondContact O-CG1 3.26Å; Y76-V176 HydrophobicContact CD1-CG1 3.56Å; Y76-V176 HydrophobicContact CE1-CG1 3.66Å; Y76-V176 HydrophobicContact CE1-CG2 3.98Å; Y76-V176 HydrophobicContact CG-CG1 4.43Å; W105-V176 HydrophobicContact CB-CG2 4.39Å; F172-V176 HydrophobicContact CD1-CG2 4.12Å; F172-V176 HydrophobicContact CE1-CG2 3.65Å; F172-V176 HydrophobicContact CE2-CG2 4.34Å; F172-V176 HydrophobicContact CZ-CG2 3.76Å; F172-V176 WeakPolarHBondContact O-CG2 3.5Å; F172-V176 PolarHBondContact O-N 3.47Å; R173-V176 PolarHBondContact O-N 3.25Å; R173-V176 VanDerWaalsContact O-N 3.16Å; V176-D178 PolarHBondContact O-N 2.84Å; V176-Y179 PolarHBondContact O-N 2.9Å; V176-I180 HydrophobicContact CG1-CD1 3.8Å; V176-I180 HydrophobicContact CG1-CG1 4.42Å; V176-I180 WeakPolarHBondContact O-CG1 3.3Å; V176-I180 PolarHBondContact O-N 3.49Å
177	D	98.6	Very high	97.8	Very high	72 Å²	72	87.6 Å²	87.6	39%	0.385	38%	0.38	S	S	.	.	H	α-helix	trans	-60.8	-41.2	177.8	-80	-4.5	0	0	0	112.8	R173 N174 K175 I180 K181	R173-D177 PolarHBondContact O-N 3.07Å; N174-D177 PolarHBondContact O-N 3.1Å; K175-D177 VanDerWaalsContact C-N 3.34Å; D177-I180 PolarHBondContact O-N 3.46Å; D177-K181 WeakPolarHBondContact O-CB 3.44Å; D177-K181 WeakPolarHBondContact O-CD 3.41Å; D177-K181 VanDerWaalsContact O-CG 3.24Å; D177-K181 WeakPolarHBondContact O-CG 3.2Å; D177-K181 PolarHBondContact O-N 2.92Å
178	D	98.6	Very high	97.8	Very high	55 Å²	55	81.9 Å²	81.9	29%	0.294	36%	0.362	S	S	.	.	H	α-helix	trans	-63.2	-43.8	174.9	179.3	69.2	0	0	0	111.3	N174 K175 V176 I180 K181 R182	N174-D178 WeakPolarHBondContact O-CB 3.26Å; N174-D178 PolarHBondContact O-N 2.85Å; K175-D178 PolarHBondContact O-N 2.55Å; V176-D178 PolarHBondContact O-N 2.84Å; D178-I180 PolarHBondContact O-N 3.03Å; D178-K181 PolarHBondContact O-N 2.84Å; D178-R182 WeakPolarHBondContact O-CB 3.29Å; D178-R182 VanDerWaalsContact O-CG 3.28Å; D178-R182 WeakPolarHBondContact O-CG 3.3Å; D178-R182 PolarHBondContact O-N 2.92Å; D178-R182 IonicContact OD1-CZ 3.3Å; D178-R182 VanDerWaalsContact OD1-CZ 3.3Å; D178-R182 IonicContact OD1-NE 2.83Å; D178-R182 PolarHBondContact OD1-NE 3.23Å; D178-R182 IonicContact OD1-NH2 3.18Å; D178-R182 PolarHBondContact OD1-NH2 3.3Å; D178-R182 IonicContact OD2-CZ 3.22Å; D178-R182 VanDerWaalsContact OD2-CZ 3.22Å; D178-R182 IonicContact OD2-NE 2.86Å; D178-R182 PolarHBondContact OD2-NE 3.04Å; D178-R182 IonicContact OD2-NH2 2.7Å; D178-R182 PolarHBondContact OD2-NH2 3.39Å
179	Y	98.7	Very high	97.8	Very high	29 Å²	29	82.4 Å²	82.4	11%	0.114	36%	0.36	C	S	.	.	H	α-helix	trans	-63.5	-42.5	176.4	-88.5	-126.6	0	0	0	111.6	K103 W105 E111 K175 V176 K181 R182 Y183	K103-Y179 HydrophobicContact CG-CD1 4.37Å; K103-Y179 HydrophobicContact CG-CE1 4.22Å; W105-Y179 HydrophobicContact CB-CD1 3.86Å; W105-Y179 HydrophobicContact CB-CD2 4.42Å; W105-Y179 HydrophobicContact CB-CE1 4.02Å; W105-Y179 HydrophobicContact CB-CG 4.04Å; W105-Y179 HydrophobicContact CE3-CE1 4.28Å; E111-Y179 HydrophobicContact CG-CE1 4.34Å; E111-Y179 VanDerWaalsContact OE1-CE1 3.29Å; E111-Y179 WeakPolarHBondContact OE1-CE1 2.88Å; E111-Y179 PolarHBondContact OE1-OH 3.19Å; K175-Y179 HydrophobicContact CD-CE2 4.42Å; K175-Y179 HydrophobicContact CG-CD2 4.05Å; K175-Y179 HydrophobicContact CG-CE2 3.92Å; K175-Y179 VanDerWaalsContact O-CD2 3.26Å; K175-Y179 WeakPolarHBondContact O-CD2 3.32Å; K175-Y179 PolarHBondContact O-N 3.38Å; V176-Y179 PolarHBondContact O-N 2.9Å; Y179-K181 PolarHBondContact O-N 3.48Å; Y179-R182 PolarHBondContact O-N 3.13Å; Y179-Y183 HydrophobicContact CD1-CD2 4.11Å; Y179-Y183 HydrophobicContact CD1-CE2 4.08Å; Y179-Y183 HydrophobicContact CE1-CE2 4.45Å; Y179-Y183 HydrophobicContact CG-CD2 4.23Å; Y179-Y183 HydrophobicContact CG-CE2 4.16Å; Y179-Y183 VanDerWaalsContact O-CD2 3.31Å; Y179-Y183 WeakPolarHBondContact O-CD2 3.15Å; Y179-Y183 PolarHBondContact O-N 3.09Å
180	I	98.7	Very high	97.7	Very high	19 Å²	19	80.3 Å²	80.3	10%	0.097	35%	0.351	C	S	.	.	H	α-helix	trans	-60.3	-47.5	176.2	-71.1	168.1	0	0	0	110.4	F81 V176 D177 D178 R182 A184 R185	F81-I180 HydrophobicContact CZ-CD1 4.36Å; F81-I180 HydrophobicContact CZ-CG1 4.01Å; V176-I180 HydrophobicContact CG1-CD1 3.8Å; V176-I180 HydrophobicContact CG1-CG1 4.42Å; V176-I180 WeakPolarHBondContact O-CG1 3.3Å; V176-I180 PolarHBondContact O-N 3.49Å; D177-I180 PolarHBondContact O-N 3.46Å; D178-I180 PolarHBondContact O-N 3.03Å; I180-R182 VanDerWaalsContact C-N 3.27Å; I180-R182 PolarHBondContact O-N 3.37Å; I180-A184 HydrophobicContact CG2-CB 4.5Å; I180-A184 CarbonylContact O-C 3.38Å; I180-A184 WeakPolarHBondContact O-CA 3.5Å; I180-A184 PolarHBondContact O-N 3.32Å; I180-R185 PolarHBondContact O-N 3.31Å
181	K	98.3	Very high	97.7	Very high	125 Å²	125	76.4 Å²	76.4	54%	0.543	33%	0.331	S	S	.	.	H	α-helix	trans	-60.5	-35.7	179.2	-74.5	165.8	-172	162.2	0	112.7	D177 D178 Y179	D177-K181 WeakPolarHBondContact O-CB 3.44Å; D177-K181 WeakPolarHBondContact O-CD 3.41Å; D177-K181 VanDerWaalsContact O-CG 3.24Å; D177-K181 WeakPolarHBondContact O-CG 3.2Å; D177-K181 PolarHBondContact O-N 2.92Å; D178-K181 PolarHBondContact O-N 2.84Å; Y179-K181 PolarHBondContact O-N 3.48Å
182	R	98.3	Very high	97.6	Very high	159 Å²	159	75.9 Å²	75.9	60%	0.6	32%	0.323	S	S	*	.	H	α-helix	trans	-83.1	-38	-176.9	-70.6	176.7	-168	-140.2	10.9	113.8	D178 Y179 I180	D178-R182 WeakPolarHBondContact O-CB 3.29Å; D178-R182 VanDerWaalsContact O-CG 3.28Å; D178-R182 WeakPolarHBondContact O-CG 3.3Å; D178-R182 PolarHBondContact O-N 2.92Å; D178-R182 IonicContact OD1-CZ 3.3Å; D178-R182 VanDerWaalsContact OD1-CZ 3.3Å; D178-R182 IonicContact OD1-NE 2.83Å; D178-R182 PolarHBondContact OD1-NE 3.23Å; D178-R182 IonicContact OD1-NH2 3.18Å; D178-R182 PolarHBondContact OD1-NH2 3.3Å; D178-R182 IonicContact OD2-CZ 3.22Å; D178-R182 VanDerWaalsContact OD2-CZ 3.22Å; D178-R182 IonicContact OD2-NE 2.86Å; D178-R182 PolarHBondContact OD2-NE 3.04Å; D178-R182 IonicContact OD2-NH2 2.7Å; D178-R182 PolarHBondContact OD2-NH2 3.39Å; Y179-R182 PolarHBondContact O-N 3.13Å; I180-R182 VanDerWaalsContact C-N 3.27Å; I180-R182 PolarHBondContact O-N 3.37Å
183	Y	98.2	Very high	97.5	Very high	103 Å²	103	81.7 Å²	81.7	40%	0.404	35%	0.347	S	S	.	.	H	α-helix	trans	-125.8	-14.1	-164.2	-48.8	-61.6	0	0	0	114.6	T102 K103 Y179	T102-Y183 WeakPolarHBondContact CG2-O 3.21Å; K103-Y183 HydrophobicContact CB-CD1 4.49Å; K103-Y183 HydrophobicContact CB-CD2 4.1Å; K103-Y183 HydrophobicContact CB-CG 4.05Å; K103-Y183 HydrophobicContact CD-CD2 4.31Å; K103-Y183 HydrophobicContact CD-CE1 4.41Å; K103-Y183 HydrophobicContact CD-CE2 3.97Å; K103-Y183 HydrophobicContact CG-CD2 4.1Å; K103-Y183 HydrophobicContact CG-CE2 4.2Å; Y179-Y183 HydrophobicContact CD1-CD2 4.11Å; Y179-Y183 HydrophobicContact CD1-CE2 4.08Å; Y179-Y183 HydrophobicContact CE1-CE2 4.45Å; Y179-Y183 HydrophobicContact CG-CD2 4.23Å; Y179-Y183 HydrophobicContact CG-CE2 4.16Å; Y179-Y183 VanDerWaalsContact O-CD2 3.31Å; Y179-Y183 WeakPolarHBondContact O-CD2 3.15Å; Y179-Y183 PolarHBondContact O-N 3.09Å
184	A	96.9	Very high	97.5	Very high	3 Å²	3	77.7 Å²	77.7	3%	0.025	34%	0.335	C	S	.	.			trans	-134.6	32.3	-166.7	0	0	0	0	0	113.8	K80 F81 T102 I180	K80-A184 PolarHBondContact N-O 2.71Å; K80-A184 WeakPolarHBondContact O-CB 3.28Å; F81-A184 HydrophobicContact CD1-CB 4.18Å; F81-A184 HydrophobicContact CE1-CB 3.83Å; F81-A184 HydrophobicContact CZ-CB 4.38Å; T102-A184 HydrophobicContact CG2-CB 3.75Å; I180-A184 HydrophobicContact CG2-CB 4.5Å; I180-A184 CarbonylContact O-C 3.38Å; I180-A184 WeakPolarHBondContact O-CA 3.5Å; I180-A184 PolarHBondContact O-N 3.32Å
185	R	87.2	Confident	97.4	Very high	214 Å²	214	76.9 Å²	76.9	81%	0.808	32%	0.324	S	S	*	.			trans	-79.6	0	176.6	-84.7	-90.8	-171.2	175.2	-1.8	113.3	K80 I180	K80-R185 WeakPolarHBondContact CD-OXT 3.45Å; K80-R185 WeakPolarHBondContact CE-OXT 3.48Å; K80-R185 PolarHBondContact NZ-OXT 3.41Å; I180-R185 PolarHBondContact O-N 3.31Å

Retrieved 185 of 185 residues in 342.6 ms (Link to these results)

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