A0A096NJY5_PAPAN Loading...

Creatine kinase B-type

Reversibly catalyzes the transfer of phosphate between ATP and various phosphogens (e.g. creatine phosphate). Creatine kinase isoenzymes play a central role in energy transduction in tissues with large, fluctuating energy demands, such as skeletal muscle, heart, brain and spermatozoa. Acts as a key regulator of adaptive thermogenesis as part of the futile creatine cycle: localizes to the mitochondria of thermogenic fat cells and acts by mediating phosphorylation of creatine to initiate a futile cycle of creatine phosphorylation and dephosphorylation. During the futile creatine cycle, creatine and N-phosphocreatine are in a futile cycle, which dissipates the high energy charge of N-phosphocreatine as heat without performing any mechanical or chemical work.

AlphaFold DB (A0A1D5RHN0), UniProt , Accession A0A096NJY5, Species PAPAN (Papio anubis, Olive baboon), Gene CKB, Length 393 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	38.8	Very low	239 Å²	239	146.2 Å²	146.2	100%	1.177	87%	0.866	S	S	*	*				0	115.9	0	-70.8	-151.4	-91.6	0	0	107.6
2	P	36.8	Very low	39.3	Very low	133 Å²	133	141.6 Å²	141.6	86%	0.864	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-77.9	136	-176.2	32	-30.6	0	0	0	109.7	G4	P2-G4 PolarHBondContact O-N 2.58Å
3	A	38.4	Very low	39.9	Very low	103 Å²	103	141.5 Å²	141.5	85%	0.851	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-70.8	116	173	0	0	0	0	0	108.8	T5	A3-T5 PolarHBondContact O-N 3.49Å
4	G	35.3	Very low	40.3	Very low	71 Å²	71	139.2 Å²	139.2	73%	0.732	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-67.4	123.8	178.1	0	0	0	0	0	111.4	P2 L6	P2-G4 PolarHBondContact O-N 2.58Å; G4-L6 PolarHBondContact O-N 2.99Å
5	T	38.6	Very low	40.8	Very low	141 Å²	141	142.3 Å²	142.3	87%	0.865	83%	0.833	S	S	*	*			trans	-65.6	108.7	165.3	1	0	0	0	0	108.6	A3 R7	A3-T5 PolarHBondContact O-N 3.49Å; T5-R7 PolarHBondContact O-N 3.04Å
6	L	37.8	Very low	41.9	Very low	170 Å²	170	139.3 Å²	139.3	89%	0.89	82%	0.822	S	S	*	*			trans	-64.8	97.6	168.3	-84.8	153.2	0	0	0	108.7	G4 K8	G4-L6 PolarHBondContact O-N 2.99Å; L6-K8 PolarHBondContact O-N 2.77Å; L6-K8 VanDerWaalsContact O-N 3.15Å
7	R	43.5	Very low	43.7	Very low	239 Å²	239	134.9 Å²	134.9	90%	0.902	79%	0.794	S	S	*	*			trans	-60.3	112.9	161.8	-86.3	-176.4	173	-176.8	-2.7	107.4	T5	T5-R7 PolarHBondContact O-N 3.04Å
8	K	36.8	Very low	46	Very low	199 Å²	199	132.9 Å²	132.9	87%	0.865	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-59.6	130.2	163.3	-80.9	-177.7	175	179.4	0	107.6	L6 A10	L6-K8 PolarHBondContact O-N 2.77Å; L6-K8 VanDerWaalsContact O-N 3.15Å; K8-A10 PolarHBondContact O-N 3.29Å
9	P	38.1	Very low	48.3	Very low	118 Å²	118	131.9 Å²	131.9	77%	0.766	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-62.9	134.6	171	24.6	-28.4	0	0	0	108.5	A11	P9-A11 PolarHBondContact O-N 2.82Å; P9-A11 VanDerWaalsContact O-N 3.12Å
10	A	43.8	Very low	50.5	Low	102 Å²	102	125.8 Å²	125.8	84%	0.843	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-56.1	117.7	169.1	0	0	0	0	0	107.6	K8 A12	K8-A10 PolarHBondContact O-N 3.29Å; A10-A12 PolarHBondContact O-N 3.47Å; A10-A12 VanDerWaalsContact O-N 3.12Å
11	A	39.5	Very low	52.5	Low	93 Å²	93	121.7 Å²	121.7	77%	0.769	72%	0.719	S	S	*	*			trans	-63.9	114.9	172.3	0	0	0	0	0	107.2	P9 M13	P9-A11 PolarHBondContact O-N 2.82Å; P9-A11 VanDerWaalsContact O-N 3.12Å; A11-M13 PolarHBondContact O-N 3.47Å; A11-M13 VanDerWaalsContact O-N 3.11Å
12	A	44.3	Very low	55.2	Low	91 Å²	91	114 Å²	114	75%	0.752	68%	0.682	S	S	*	*			trans	-55.8	118.3	167.5	0	0	0	0	0	107.6	A10 P14	A10-A12 PolarHBondContact O-N 3.47Å; A10-A12 VanDerWaalsContact O-N 3.12Å; A12-P14 VanDerWaalsContact O-CD 3.26Å; A12-P14 WeakPolarHBondContact O-CD 3.35Å; A12-P14 VanDerWaalsContact O-N 3.11Å
13	M	47.8	Very low	58	Low	141 Å²	141	108.7 Å²	108.7	70%	0.695	65%	0.646	S	S	*	*			trans	-56.7	114.3	177.9	-74.8	-95.4	-88.8	0	0	108.3	A11 F15	A11-M13 PolarHBondContact O-N 3.47Å; A11-M13 VanDerWaalsContact O-N 3.11Å; M13-F15 PolarHBondContact O-N 3.36Å; M13-F15 VanDerWaalsContact O-N 3.11Å
14	P	44.7	Very low	60.7	Low	109 Å²	109	107.4 Å²	107.4	71%	0.708	62%	0.624	S	S	*	*	S	Bend	trans	-76.2	1.6	-167.9	27.5	-32.3	0	0	0	114.2	A12	A12-P14 VanDerWaalsContact O-CD 3.26Å; A12-P14 WeakPolarHBondContact O-CD 3.35Å; A12-P14 VanDerWaalsContact O-N 3.11Å
15	F	48.9	Very low	63.6	Low	185 Å²	185	113.3 Å²	113.3	81%	0.811	62%	0.624	S	S	*	*			trans	-128.6	100.4	177.8	-59.8	-74.7	0	0	0	109.5	M13	M13-F15 PolarHBondContact O-N 3.36Å; M13-F15 VanDerWaalsContact O-N 3.11Å
16	S	57.2	Low	66.4	Low	95 Å²	95	111.4 Å²	111.4	66%	0.664	60%	0.604	S	S	*	*			trans	-59.4	147.6	166.2	58	0	0	0	0	110	S18	S16-S18 PolarHBondContact O-N 3.27Å
17	N	73.8	Confident	69.2	Low	64 Å²	64	106.1 Å²	106.1	34%	0.342	58%	0.58	S	S	.	*			trans	-52.4	99.6	170.6	-177.2	-20.3	0	0	0	109.6	H19 N20 A21 G62	N17-H19 PolarHBondContact O-N 2.89Å; N17-H19 PolarHBondContact OD1-N 2.89Å; N17-N20 HydrophobicContact CB-CB 4.14Å; N17-N20 PolarHBondContact O-N 3.02Å; N17-N20 VanDerWaalsContact O-N 3.08Å; N17-N20 PolarHBondContact OD1-N 3.25Å; N17-A21 PolarHBondContact O-N 3.12Å; N17-G62 PolarHBondContact ND2-O 3.23Å
18	S	84.7	Confident	71.8	Confident	100 Å²	100	95.8 Å²	95.8	70%	0.699	55%	0.545	S	S	*	.	H	α-helix	trans	-66.8	-25.5	-168.5	54	0	0	0	0	112.4	S16 L22	S16-S18 PolarHBondContact O-N 3.27Å; S18-L22 PolarHBondContact O-N 3.11Å
19	H	90.1	Very high	74.7	Confident	113 Å²	113	93 Å²	93	52%	0.523	54%	0.536	S	S	.	.	H	α-helix	trans	-73	-41.1	173.5	-167.9	-114.7	0	0	0	111.4	N17 A21 L22 K23	N17-H19 PolarHBondContact O-N 2.89Å; N17-H19 PolarHBondContact OD1-N 2.89Å; H19-A21 VanDerWaalsContact C-N 3.3Å; H19-A21 PolarHBondContact O-N 3.07Å; H19-L22 WeakPolarHBondContact O-CB 3.5Å; H19-L22 PolarHBondContact O-N 3.47Å; H19-K23 PolarHBondContact O-N 2.96Å; H19-K23 VanDerWaalsContact O-N 3.07Å
20	N	91.8	Very high	77.6	Confident	9 Å²	9	92.6 Å²	92.6	5%	0.048	53%	0.527	C	S	.	.	H	α-helix	trans	-64.3	-38.3	173.9	-158.2	32	0	0	0	111.6	N17 L22 K23 L24 R55 T64	N17-N20 HydrophobicContact CB-CB 4.14Å; N17-N20 PolarHBondContact O-N 3.02Å; N17-N20 VanDerWaalsContact O-N 3.08Å; N17-N20 PolarHBondContact OD1-N 3.25Å; N20-L22 PolarHBondContact O-N 3.33Å; N20-K23 PolarHBondContact O-N 3.26Å; N20-K23 VanDerWaalsContact O-N 3.16Å; N20-L24 WeakPolarHBondContact O-CG 3.41Å; N20-L24 PolarHBondContact O-N 3.25Å; N20-R55 PolarHBondContact ND2-O 2.65Å; N20-T64 HydrophobicContact CB-CG2 4.27Å
21	A	92.4	Very high	80.2	Confident	41 Å²	41	90.7 Å²	90.7	34%	0.339	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-24.4	173.5	0	0	0	0	0	113.7	N17 H19 R25	N17-A21 PolarHBondContact O-N 3.12Å; H19-A21 VanDerWaalsContact C-N 3.3Å; H19-A21 PolarHBondContact O-N 3.07Å; A21-R25 WeakPolarHBondContact O-CG 3.48Å
22	L	94.7	Very high	83	Confident	76 Å²	76	88.9 Å²	88.9	40%	0.398	48%	0.475	S	S	.	.	H	α-helix	trans	-75.8	-47.3	171.5	-179.6	66.9	0	0	0	111	S18 H19 N20 L24 R25	S18-L22 PolarHBondContact O-N 3.11Å; H19-L22 WeakPolarHBondContact O-CB 3.5Å; H19-L22 PolarHBondContact O-N 3.47Å; N20-L22 PolarHBondContact O-N 3.33Å; L22-L24 VanDerWaalsContact C-N 3.26Å; L22-L24 PolarHBondContact O-N 2.93Å; L22-R25 VanDerWaalsContact O-CB 3.25Å; L22-R25 WeakPolarHBondContact O-CB 3.47Å; L22-R25 WeakPolarHBondContact O-CG 2.92Å; L22-R25 PolarHBondContact O-N 3.36Å
23	K	95.2	Very high	85.6	Confident	23 Å²	23	85.3 Å²	85.3	10%	0.1	45%	0.445	C	S	.	.	H	α-helix	trans	-58.1	-37.6	178	-68.2	-171.9	-84.4	179.9	0	112.5	H19 N20 R25 F26 E31 R55 D66	H19-K23 PolarHBondContact O-N 2.96Å; H19-K23 VanDerWaalsContact O-N 3.07Å; N20-K23 PolarHBondContact O-N 3.26Å; N20-K23 VanDerWaalsContact O-N 3.16Å; K23-R25 PolarHBondContact O-N 3.41Å; K23-R25 VanDerWaalsContact O-N 3.17Å; K23-F26 PolarHBondContact O-N 3.04Å; K23-E31 WeakPolarHBondContact CA-OE1 2.99Å; K23-E31 WeakPolarHBondContact CG-OE1 3.38Å; K23-R55 PolarHBondContact O-NH2 3.4Å; K23-D66 WeakPolarHBondContact CD-OD2 3.34Å; K23-D66 WeakPolarHBondContact CE-OD2 3.48Å; K23-D66 IonicContact NZ-OD2 3.67Å; K23-D66 PolarHBondContact NZ-OD2 3.46Å
24	L	94.8	Very high	88	Confident	75 Å²	75	84.4 Å²	84.4	39%	0.393	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-7.6	175.8	-67.4	174.9	0	0	0	114.5	N20 L22 F26 R55 A56	N20-L24 WeakPolarHBondContact O-CG 3.41Å; N20-L24 PolarHBondContact O-N 3.25Å; L22-L24 VanDerWaalsContact C-N 3.26Å; L22-L24 PolarHBondContact O-N 2.93Å; L24-F26 VanDerWaalsContact C-N 3.27Å; L24-R55 HydrophobicContact CD2-CG 4.14Å; L24-A56 HydrophobicContact CD1-CB 4.16Å; L24-A56 HydrophobicContact CD2-CB 3.91Å
25	R	96.9	Very high	90.5	Very high	195 Å²	195	80.5 Å²	80.5	74%	0.736	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.9	170.1	-56.8	-176.7	-172.9	178.9	-3.4	112.4	A21 L22 K23	A21-R25 WeakPolarHBondContact O-CG 3.48Å; L22-R25 VanDerWaalsContact O-CB 3.25Å; L22-R25 WeakPolarHBondContact O-CB 3.47Å; L22-R25 WeakPolarHBondContact O-CG 2.92Å; L22-R25 PolarHBondContact O-N 3.36Å; K23-R25 PolarHBondContact O-N 3.41Å; K23-R25 VanDerWaalsContact O-N 3.17Å
26	F	97.6	Very high	92.8	Very high	102 Å²	102	76.8 Å²	76.8	45%	0.447	41%	0.413	S	S	.	.	S	Bend	trans	-98.1	145.7	176.3	-61.8	-87.6	0	0	0	110.1	K23 L24 D30 E31 R55	K23-F26 PolarHBondContact O-N 3.04Å; L24-F26 VanDerWaalsContact C-N 3.27Å; F26-D30 HydrophobicContact CB-CB 4.25Å; F26-E31 HydrophobicContact CB-CG 4.11Å; F26-R55 PolarHBondContact O-NH1 3.34Å
27	P	97.6	Very high	94.6	Very high	59 Å²	59	76.1 Å²	76.1	38%	0.383	41%	0.413	S	S	.	.			trans	-48.2	155.5	168.9	-24.9	31.7	0	0	0	113	E29 D30 R55	P27-E29 VanDerWaalsContact C-N 3.28Å; P27-E29 HydrophobicContact CB-CG 4.01Å; P27-E29 WeakPolarHBondContact CB-OE1 3.48Å; P27-E29 WeakPolarHBondContact CB-OE2 3.33Å; P27-E29 PolarHBondContact O-N 2.89Å; P27-D30 WeakPolarHBondContact CD-OD2 3.32Å; P27-D30 PolarHBondContact O-N 3.14Å; P27-R55 PolarHBondContact O-NH1 3.39Å
28	A	97.9	Very high	95.8	Very high	21 Å²	21	75.2 Å²	75.2	17%	0.174	41%	0.407	C	S	.	.	H	α-helix	trans	-65.4	-35.6	-177.9	0	0	0	0	0	112.1	D30 E31 F32 A52 R55	A28-D30 VanDerWaalsContact C-N 3.29Å; A28-D30 PolarHBondContact O-N 2.91Å; A28-E31 PolarHBondContact O-N 3.43Å; A28-F32 PolarHBondContact O-N 3.37Å; A28-A52 HydrophobicContact CB-CB 3.65Å; A28-R55 VanDerWaalsContact CA-NH1 3.3Å
29	E	97.7	Very high	96.3	Very high	142 Å²	142	74.7 Å²	74.7	66%	0.664	40%	0.396	S	S	*	.	H	α-helix	trans	-63.6	-29.7	177.1	61.4	-90.6	-148	0	0	113.8	P27 E31	P27-E29 VanDerWaalsContact C-N 3.28Å; P27-E29 HydrophobicContact CB-CG 4.01Å; P27-E29 WeakPolarHBondContact CB-OE1 3.48Å; P27-E29 WeakPolarHBondContact CB-OE2 3.33Å; P27-E29 PolarHBondContact O-N 2.89Å; E29-E31 VanDerWaalsContact C-N 3.28Å; E29-E31 PolarHBondContact O-N 3.4Å
30	D	98.1	Very high	96.6	Very high	108 Å²	108	69.3 Å²	69.3	58%	0.578	37%	0.371	S	S	*	.	H	α-helix	trans	-74.4	-22.4	-179.4	-75.4	-7.9	0	0	0	112.2	F26 P27 A28	F26-D30 HydrophobicContact CB-CB 4.25Å; P27-D30 WeakPolarHBondContact CD-OD2 3.32Å; P27-D30 PolarHBondContact O-N 3.14Å; A28-D30 VanDerWaalsContact C-N 3.29Å; A28-D30 PolarHBondContact O-N 2.91Å
31	E	98.4	Very high	96.9	Very high	62 Å²	62	69.5 Å²	69.5	29%	0.29	37%	0.372	S	S	.	.	H	α-helix	trans	-112.5	-4.9	-176	-65.7	-94.7	-158.2	0	0	111.8	K23 F26 A28 E29 Y51 R55	K23-E31 WeakPolarHBondContact CA-OE1 2.99Å; K23-E31 WeakPolarHBondContact CG-OE1 3.38Å; F26-E31 HydrophobicContact CB-CG 4.11Å; A28-E31 PolarHBondContact O-N 3.43Å; E29-E31 VanDerWaalsContact C-N 3.28Å; E29-E31 PolarHBondContact O-N 3.4Å; E31-Y51 HydrophobicContact CB-CE1 4.18Å; E31-Y51 PolarHBondContact O-OH 3.43Å; E31-R55 VanDerWaalsContact CB-NH2 3.26Å
32	F	98.6	Very high	97.2	Very high	55 Å²	55	67.5 Å²	67.5	24%	0.241	36%	0.356	C	S	.	.	S	Bend	trans	-66.1	131.4	174.7	-173.2	-97.7	0	0	0	110.3	A28 L46 T47 P48 Y51	A28-F32 PolarHBondContact O-N 3.37Å; F32-L46 HydrophobicContact CE2-CD2 4.09Å; F32-L46 HydrophobicContact CE2-CG 4.03Å; F32-L46 HydrophobicContact CZ-CG 4.48Å; F32-T47 VanDerWaalsContact CE2-C 3.42Å; F32-T47 WeakPolarHBondContact CE2-O 3.45Å; F32-P48 HydrophobicContact CD2-CB 4.46Å; F32-P48 HydrophobicContact CE1-CG 4.22Å; F32-P48 HydrophobicContact CE2-CB 4.45Å; F32-P48 HydrophobicContact CE2-CG 4.23Å; F32-P48 HydrophobicContact CZ-CG 4.05Å; F32-Y51 HydrophobicContact CB-CD1 4.28Å; F32-Y51 AromaticContact CD2-CD1 3.93Å; F32-Y51 HydrophobicContact CD2-CD1 3.93Å; F32-Y51 HydrophobicContact CD2-CD2 4.34Å; F32-Y51 AromaticContact CD2-CG 3.68Å; F32-Y51 HydrophobicContact CD2-CG 3.68Å; F32-Y51 HydrophobicContact CE2-CG 4.3Å
33	P	98.4	Very high	97.4	Very high	17 Å²	17	65 Å²	65	11%	0.11	35%	0.345	C	S	.	.			trans	-71.1	144.3	-177	29	-35.9	0	0	0	112.5	L35 L46 I69 V73	P33-L35 HydrophobicContact CB-CD2 3.95Å; P33-L35 HydrophobicContact CB-CG 4.15Å; P33-L35 HydrophobicContact CG-CD1 4.06Å; P33-L35 HydrophobicContact CG-CD2 4.14Å; P33-L35 HydrophobicContact CG-CG 4.01Å; P33-L35 PolarHBondContact O-N 3.31Å; P33-L46 HydrophobicContact CG-CD2 3.85Å; P33-I69 HydrophobicContact CG-CD1 4.17Å; P33-V73 HydrophobicContact CB-CG1 4.1Å; P33-V73 HydrophobicContact CB-CG2 3.75Å; P33-V73 HydrophobicContact CG-CG2 4.15Å
34	D	98.4	Very high	97.6	Very high	121 Å²	121	69.2 Å²	69.2	65%	0.647	36%	0.364	S	S	*	.			trans	-76.1	108.4	166.2	-179	3.4	0	0	0	109.9	S36 H38	D34-S36 WeakPolarHBondContact OD1-CB 3.23Å; D34-S36 PolarHBondContact OD1-N 3.37Å; D34-S36 PolarHBondContact OD1-OG 3.08Å; D34-H38 PolarHBondContact O-CE1 3.27Å; D34-H38 VanDerWaalsContact O-CE1 3.31Å
35	L	98.1	Very high	97.7	Very high	27 Å²	27	67 Å²	67	14%	0.141	35%	0.353	C	S	.	.			trans	-110.6	16.8	-179.5	-55.5	-178.7	0	0	0	112.8	P33 A37 H38 M42 A43 L46 V73	P33-L35 HydrophobicContact CB-CD2 3.95Å; P33-L35 HydrophobicContact CB-CG 4.15Å; P33-L35 HydrophobicContact CG-CD1 4.06Å; P33-L35 HydrophobicContact CG-CD2 4.14Å; P33-L35 HydrophobicContact CG-CG 4.01Å; P33-L35 PolarHBondContact O-N 3.31Å; L35-A37 PolarHBondContact O-N 3.07Å; L35-A37 VanDerWaalsContact O-N 3.16Å; L35-H38 WeakPolarHBondContact CA-ND1 3.4Å; L35-H38 HydrophobicContact CB-CB 4.27Å; L35-H38 WeakPolarHBondContact O-CB 3.32Å; L35-H38 PolarHBondContact O-N 2.82Å; L35-H38 VanDerWaalsContact O-N 3.12Å; L35-M42 HydrophobicContact CD1-CE 4.4Å; L35-M42 HydrophobicContact CD1-SD 4.17Å; L35-M42 HydrophobicContact CD2-CE 4.36Å; L35-A43 HydrophobicContact CB-CB 4.22Å; L35-A43 HydrophobicContact CD1-CB 3.98Å; L35-L46 HydrophobicContact CD1-CB 4.41Å; L35-L46 HydrophobicContact CD1-CD2 4.11Å; L35-V73 HydrophobicContact CD2-CG2 4.23Å
36	S	96.5	Very high	97.8	Very high	107 Å²	107	58.2 Å²	58.2	75%	0.748	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.4	-171.7	58.4	0	0	0	0	114.8	D34	D34-S36 WeakPolarHBondContact OD1-CB 3.23Å; D34-S36 PolarHBondContact OD1-N 3.37Å; D34-S36 PolarHBondContact OD1-OG 3.08Å
37	A	95.6	Very high	97.9	Very high	82 Å²	82	56.1 Å²	56.1	68%	0.678	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	14.2	179.5	0	0	0	0	0	113.2	L35	L35-A37 PolarHBondContact O-N 3.07Å; L35-A37 VanDerWaalsContact O-N 3.16Å
38	H	97.7	Very high	97.9	Very high	44 Å²	44	56.7 Å²	56.7	20%	0.204	32%	0.32	C	S	.	.			trans	-99.7	144.3	-169	-66.1	54	0	0	0	113	D34 L35 A43 G72 V73 P76	D34-H38 PolarHBondContact O-CE1 3.27Å; D34-H38 VanDerWaalsContact O-CE1 3.31Å; L35-H38 WeakPolarHBondContact CA-ND1 3.4Å; L35-H38 HydrophobicContact CB-CB 4.27Å; L35-H38 WeakPolarHBondContact O-CB 3.32Å; L35-H38 PolarHBondContact O-N 2.82Å; L35-H38 VanDerWaalsContact O-N 3.12Å; H38-A43 HydrophobicContact CB-CB 3.67Å; H38-G72 PolarHBondContact CD2-O 3.49Å; H38-V73 PolarHBondContact NE2-O 2.96Å; H38-P76 CarbonylContact C-O 3.55Å; H38-P76 WeakPolarHBondContact CA-O 3.16Å; H38-P76 HydrophobicContact CB-CB 4.46Å
39	N	96.1	Very high	98	Very high	90 Å²	90	62.1 Å²	62.1	48%	0.481	34%	0.342	S	S	.	.			trans	-141	72.3	178.2	-174.8	33.3	0	0	0	109.6	P76 M82	N39-P76 CarbonylContact C-O 3.51Å; N39-P76 PolarHBondContact N-O 2.71Å; N39-M82 VanDerWaalsContact OD1-CE 3.29Å; N39-M82 WeakPolarHBondContact OD1-CE 3.39Å
40	N	97.4	Very high	98	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-138	163.5	170.1	62.2	59.6	0	0	0	109.1	M42 A43 K44 G72 N75 T83	N40-M42 VanDerWaalsContact C-N 3.34Å; N40-M42 PolarHBondContact O-N 3.44Å; N40-M42 PolarHBondContact OD1-N 2.79Å; N40-A43 PolarHBondContact O-N 3.08Å; N40-A43 WeakPolarHBondContact OD1-CB 3.44Å; N40-A43 PolarHBondContact OD1-N 3.11Å; N40-K44 PolarHBondContact O-N 3.45Å; N40-G72 PolarHBondContact ND2-O 3.03Å; N40-N75 PolarHBondContact ND2-O 2.87Å; N40-T83 WeakPolarHBondContact CA-O 3.5Å; N40-T83 WeakPolarHBondContact CB-O 3.31Å; N40-T83 WeakPolarHBondContact CB-OG1 3.31Å
41	H	98.1	Very high	98	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.056	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-39.3	-174.9	-69.5	-82.4	0	0	0	112.9	A43 K44 V45 M82 T83 V84 I104 D107 R108	H41-A43 PolarHBondContact O-N 2.97Å; H41-K44 PolarHBondContact O-N 3.29Å; H41-V45 WeakPolarHBondContact O-CG2 3.38Å; H41-V45 PolarHBondContact O-N 3.47Å; H41-M82 WeakPolarHBondContact NE2-CG 3.41Å; H41-T83 PolarHBondContact CD2-O 3.44Å; H41-T83 VanDerWaalsContact CD2-O 3.23Å; H41-T83 PolarHBondContact N-O 3.3Å; H41-V84 CarbonylContact C-O 3.09Å; H41-V84 WeakPolarHBondContact CB-O 3.37Å; H41-V84 PolarHBondContact N-O 2.95Å; H41-I104 HydrophobicContact CB-CG2 3.97Å; H41-D107 IonicContact CE1-OD2 2.87Å; H41-D107 PolarHBondContact CE1-OD2 2.92Å; H41-D107 VanDerWaalsContact CE1-OD2 3.25Å; H41-D107 IonicContact CG-OD2 3.45Å; H41-D107 IonicContact ND1-OD2 3.83Å; H41-D107 PolarHBondContact ND1-OD2 3.34Å; H41-R108 WeakPolarHBondContact NE2-CD 3.09Å
42	M	98.7	Very high	98	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.4	-47.8	177	-179.6	-77.1	-67.2	0	0	111.7	L35 N40 K44 V45 L46 I69 V73 V84 G85 C86 I104	L35-M42 HydrophobicContact CD1-CE 4.4Å; L35-M42 HydrophobicContact CD1-SD 4.17Å; L35-M42 HydrophobicContact CD2-CE 4.36Å; N40-M42 VanDerWaalsContact C-N 3.34Å; N40-M42 PolarHBondContact O-N 3.44Å; N40-M42 PolarHBondContact OD1-N 2.79Å; M42-K44 PolarHBondContact O-N 3.29Å; M42-V45 PolarHBondContact O-N 3Å; M42-L46 PolarHBondContact O-N 2.89Å; M42-L46 HydrophobicContact SD-CB 4Å; M42-L46 HydrophobicContact SD-CD2 3.97Å; M42-I69 HydrophobicContact CE-CB 3.97Å; M42-I69 HydrophobicContact CG-CB 4.07Å; M42-I69 HydrophobicContact CG-CG2 3.73Å; M42-I69 HydrophobicContact SD-CB 3.91Å; M42-I69 HydrophobicContact SD-CG2 3.92Å; M42-V73 HydrophobicContact CE-CG2 4.16Å; M42-V84 PolarHBondContact N-O 3.24Å; M42-G85 WeakPolarHBondContact CB-O 3.32Å; M42-C86 HydrophobicContact CB-CB 4.2Å; M42-C86 HydrophobicContact CG-CB 4.13Å; M42-I104 HydrophobicContact CB-CD1 3.99Å; M42-I104 HydrophobicContact CG-CD1 4.35Å
43	A	98.4	Very high	98	Very high	22 Å²	22	53.8 Å²	53.8	18%	0.182	31%	0.309	C	S	.	.	H	α-helix	trans	-66.4	-21.7	-179	0	0	0	0	0	114.2	L35 H38 N40 H41	L35-A43 HydrophobicContact CB-CB 4.22Å; L35-A43 HydrophobicContact CD1-CB 3.98Å; H38-A43 HydrophobicContact CB-CB 3.67Å; N40-A43 PolarHBondContact O-N 3.08Å; N40-A43 WeakPolarHBondContact OD1-CB 3.44Å; N40-A43 PolarHBondContact OD1-N 3.11Å; H41-A43 PolarHBondContact O-N 2.97Å
44	K	97.9	Very high	98	Very high	113 Å²	113	53 Å²	53	49%	0.491	30%	0.304	S	S	.	.	H	α-helix	trans	-77.4	-22.8	173.1	-65.9	175.2	-175.9	175.8	0	113.2	N40 H41 M42 D107	N40-K44 PolarHBondContact O-N 3.45Å; H41-K44 PolarHBondContact O-N 3.29Å; M42-K44 PolarHBondContact O-N 3.29Å; K44-D107 IonicContact NZ-OD2 3.23Å
45	V	98.6	Very high	98	Very high	27 Å²	27	47.8 Å²	47.8	16%	0.164	28%	0.275	C	S	.	.	H	α-helix	trans	-103.3	-38.6	-172.5	175.5	0	0	0	0	111.6	H41 M42 T47 L50 L100 P103 I104	H41-V45 WeakPolarHBondContact O-CG2 3.38Å; H41-V45 PolarHBondContact O-N 3.47Å; M42-V45 PolarHBondContact O-N 3Å; V45-T47 PolarHBondContact O-N 3.33Å; V45-L50 HydrophobicContact CG1-CD2 4.39Å; V45-L100 HydrophobicContact CB-CD1 4.31Å; V45-L100 HydrophobicContact CG1-CD1 3.91Å; V45-P103 HydrophobicContact CG1-CB 3.74Å; V45-P103 HydrophobicContact CG1-CG 3.97Å; V45-P103 HydrophobicContact CG2-CB 3.94Å; V45-I104 HydrophobicContact CB-CG1 3.99Å; V45-I104 HydrophobicContact CG1-CG1 4.33Å; V45-I104 HydrophobicContact CG2-CG1 3.75Å
46	L	98.8	Very high	97.9	Very high	12 Å²	12	49.4 Å²	49.4	6%	0.063	29%	0.292	C	S	.	.			trans	-66.6	124.4	-175.4	-168	70	0	0	0	111.4	F32 P33 L35 M42 L50 Y51 I69 L100	F32-L46 HydrophobicContact CE2-CD2 4.09Å; F32-L46 HydrophobicContact CE2-CG 4.03Å; F32-L46 HydrophobicContact CZ-CG 4.48Å; P33-L46 HydrophobicContact CG-CD2 3.85Å; L35-L46 HydrophobicContact CD1-CB 4.41Å; L35-L46 HydrophobicContact CD1-CD2 4.11Å; M42-L46 PolarHBondContact O-N 2.89Å; M42-L46 HydrophobicContact SD-CB 4Å; M42-L46 HydrophobicContact SD-CD2 3.97Å; L46-L50 HydrophobicContact CD1-CD2 4.45Å; L46-Y51 HydrophobicContact CD2-CD2 4.39Å; L46-I69 HydrophobicContact CD2-CD1 3.78Å; L46-L100 HydrophobicContact CB-CD1 4.31Å; L46-L100 HydrophobicContact CD1-CD1 4.03Å
47	T	98.7	Very high	98	Very high	58 Å²	58	48 Å²	48	36%	0.356	27%	0.272	S	S	.	.			trans	-117.5	160.2	172.1	81.1	0	0	0	0	111	F32 V45 E49 L50 Y51	F32-T47 VanDerWaalsContact CE2-C 3.42Å; F32-T47 WeakPolarHBondContact CE2-O 3.45Å; V45-T47 PolarHBondContact O-N 3.33Å; T47-E49 WeakPolarHBondContact CB-OE2 3.3Å; T47-E49 PolarHBondContact O-N 2.75Å; T47-E49 PolarHBondContact OG1-N 3.4Å; T47-E49 PolarHBondContact OG1-OE2 3.34Å; T47-L50 PolarHBondContact O-N 2.71Å; T47-L50 PolarHBondContact OG1-N 3.49Å; T47-Y51 WeakPolarHBondContact O-CB 3.49Å; T47-Y51 PolarHBondContact O-N 3.09Å
48	P	98.6	Very high	98.1	Very high	70 Å²	70	47 Å²	47	46%	0.455	26%	0.261	S	S	.	.	H	α-helix	trans	-53.7	-38.7	174.1	-28.3	37	0	0	0	113.2	F32 A52	F32-P48 HydrophobicContact CD2-CB 4.46Å; F32-P48 HydrophobicContact CE1-CG 4.22Å; F32-P48 HydrophobicContact CE2-CB 4.45Å; F32-P48 HydrophobicContact CE2-CG 4.23Å; F32-P48 HydrophobicContact CZ-CG 4.05Å; P48-A52 WeakPolarHBondContact O-CB 3.38Å; P48-A52 PolarHBondContact O-N 3.32Å
49	E	98.6	Very high	98.1	Very high	136 Å²	136	45.1 Å²	45.1	64%	0.636	25%	0.253	S	S	*	.	H	α-helix	trans	-66.8	-47.1	178.3	-58.1	72.6	-156.3	0	0	111.4	T47 Y51 A52 E53	T47-E49 WeakPolarHBondContact CB-OE2 3.3Å; T47-E49 PolarHBondContact O-N 2.75Å; T47-E49 PolarHBondContact OG1-N 3.4Å; T47-E49 PolarHBondContact OG1-OE2 3.34Å; E49-Y51 VanDerWaalsContact C-N 3.34Å; E49-Y51 PolarHBondContact O-N 3.23Å; E49-A52 PolarHBondContact O-N 3.16Å; E49-E53 PolarHBondContact O-N 3.43Å
50	L	98.6	Very high	98.2	Very high	24 Å²	24	45.1 Å²	45.1	13%	0.126	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-41	178.6	-176.2	61.9	0	0	0	111.4	V45 L46 T47 E53 L54 D99 L100	V45-L50 HydrophobicContact CG1-CD2 4.39Å; L46-L50 HydrophobicContact CD1-CD2 4.45Å; T47-L50 PolarHBondContact O-N 2.71Å; T47-L50 PolarHBondContact OG1-N 3.49Å; L50-E53 PolarHBondContact O-N 3.22Å; L50-L54 HydrophobicContact CD1-CD1 3.66Å; L50-L54 HydrophobicContact CD1-CG 4.04Å; L50-L54 HydrophobicContact CG-CD1 3.97Å; L50-L54 WeakPolarHBondContact O-CB 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.39Å; L50-L54 PolarHBondContact O-N 2.96Å; L50-D99 HydrophobicContact CD1-CB 3.74Å; L50-L100 HydrophobicContact CD2-CB 4.29Å; L50-L100 HydrophobicContact CD2-CD1 4.04Å
51	Y	98.8	Very high	98.2	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-47.7	174.9	-176.4	-98.2	0	0	0	111.6	E31 F32 L46 T47 E49 E53 L54 R55 L65 D66 I69	E31-Y51 HydrophobicContact CB-CE1 4.18Å; E31-Y51 PolarHBondContact O-OH 3.43Å; F32-Y51 HydrophobicContact CB-CD1 4.28Å; F32-Y51 AromaticContact CD2-CD1 3.93Å; F32-Y51 HydrophobicContact CD2-CD1 3.93Å; F32-Y51 HydrophobicContact CD2-CD2 4.34Å; F32-Y51 AromaticContact CD2-CG 3.68Å; F32-Y51 HydrophobicContact CD2-CG 3.68Å; F32-Y51 HydrophobicContact CE2-CG 4.3Å; L46-Y51 HydrophobicContact CD2-CD2 4.39Å; T47-Y51 WeakPolarHBondContact O-CB 3.49Å; T47-Y51 PolarHBondContact O-N 3.09Å; E49-Y51 VanDerWaalsContact C-N 3.34Å; E49-Y51 PolarHBondContact O-N 3.23Å; Y51-E53 VanDerWaalsContact C-N 3.27Å; Y51-E53 PolarHBondContact O-N 3.01Å; Y51-L54 PolarHBondContact O-N 3.2Å; Y51-R55 HydrophobicContact CD1-CB 4.38Å; Y51-R55 HydrophobicContact CE1-CB 4.03Å; Y51-R55 HydrophobicContact CE1-CG 4.4Å; Y51-R55 HydrophobicContact CE2-CB 4.39Å; Y51-R55 WeakPolarHBondContact O-CB 3.46Å; Y51-R55 WeakPolarHBondContact O-CG 3.38Å; Y51-R55 PolarHBondContact O-N 3.08Å; Y51-L65 HydrophobicContact CD2-CD2 3.48Å; Y51-L65 VanDerWaalsContact CD2-CD2 3.48Å; Y51-L65 HydrophobicContact CD2-CG 4.47Å; Y51-L65 HydrophobicContact CE2-CD2 3.86Å; Y51-L65 HydrophobicContact CG-CD2 4.26Å; Y51-D66 WeakPolarHBondContact CE2-OD1 3.36Å; Y51-D66 PolarHBondContact OH-OD1 3.23Å; Y51-D66 PolarHBondContact OH-OD2 3.02Å; Y51-I69 HydrophobicContact CD2-CD1 4.45Å; Y51-I69 HydrophobicContact CE2-CD1 4.26Å
52	A	98.4	Very high	98.1	Very high	48 Å²	48	47.3 Å²	47.3	40%	0.397	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-37.7	177.8	0	0	0	0	0	112.5	A28 P48 E49	A28-A52 HydrophobicContact CB-CB 3.65Å; P48-A52 WeakPolarHBondContact O-CB 3.38Å; P48-A52 PolarHBondContact O-N 3.32Å; E49-A52 PolarHBondContact O-N 3.16Å
53	E	98.3	Very high	98.1	Very high	119 Å²	119	47.6 Å²	47.6	56%	0.556	28%	0.278	S	S	*	.	H	α-helix	trans	-69.7	-41.8	177.4	-177.5	173.5	177.7	0	0	112.9	E49 L50 Y51	E49-E53 PolarHBondContact O-N 3.43Å; L50-E53 PolarHBondContact O-N 3.22Å; Y51-E53 VanDerWaalsContact C-N 3.27Å; Y51-E53 PolarHBondContact O-N 3.01Å
54	L	98.4	Very high	98.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-94	-23.2	-170.7	-64.8	-177.2	0	0	0	114.1	L50 Y51 A56 K57 L65 F97 D99 L100	L50-L54 HydrophobicContact CD1-CD1 3.66Å; L50-L54 HydrophobicContact CD1-CG 4.04Å; L50-L54 HydrophobicContact CG-CD1 3.97Å; L50-L54 WeakPolarHBondContact O-CB 3.27Å; L50-L54 WeakPolarHBondContact O-CG 3.39Å; L50-L54 PolarHBondContact O-N 2.96Å; Y51-L54 PolarHBondContact O-N 3.2Å; L54-A56 PolarHBondContact O-N 3Å; L54-A56 VanDerWaalsContact O-N 3.1Å; L54-K57 HydrophobicContact CD2-CD 3.82Å; L54-K57 WeakPolarHBondContact O-CB 3.01Å; L54-K57 PolarHBondContact O-N 3.5Å; L54-L65 HydrophobicContact CB-CD1 4.19Å; L54-L65 HydrophobicContact CB-CD2 3.71Å; L54-L65 HydrophobicContact CB-CG 4.39Å; L54-L65 HydrophobicContact CD1-CD1 4.21Å; L54-F97 HydrophobicContact CB-CD1 4.49Å; L54-D99 HydrophobicContact CD1-CB 4.43Å; L54-L100 HydrophobicContact CD1-CB 4.06Å
55	R	97.4	Very high	98.2	Very high	13 Å²	13	41.2 Å²	41.2	5%	0.049	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.1	-171.9	67.8	-175.4	-59	-126.9	-4.5	115.2	N20 K23 L24 F26 P27 A28 E31 Y51 L65	N20-R55 PolarHBondContact ND2-O 2.65Å; K23-R55 PolarHBondContact O-NH2 3.4Å; L24-R55 HydrophobicContact CD2-CG 4.14Å; F26-R55 PolarHBondContact O-NH1 3.34Å; P27-R55 PolarHBondContact O-NH1 3.39Å; A28-R55 VanDerWaalsContact CA-NH1 3.3Å; E31-R55 VanDerWaalsContact CB-NH2 3.26Å; Y51-R55 HydrophobicContact CD1-CB 4.38Å; Y51-R55 HydrophobicContact CE1-CB 4.03Å; Y51-R55 HydrophobicContact CE1-CG 4.4Å; Y51-R55 HydrophobicContact CE2-CB 4.39Å; Y51-R55 WeakPolarHBondContact O-CB 3.46Å; Y51-R55 WeakPolarHBondContact O-CG 3.38Å; Y51-R55 PolarHBondContact O-N 3.08Å; R55-L65 HydrophobicContact CB-CD2 4.43Å
56	A	96.6	Very high	98.2	Very high	60 Å²	60	40.9 Å²	40.9	50%	0.496	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.6	176.8	0	0	0	0	0	113.5	L24 L54	L24-A56 HydrophobicContact CD1-CB 4.16Å; L24-A56 HydrophobicContact CD2-CB 3.91Å; L54-A56 PolarHBondContact O-N 3Å; L54-A56 VanDerWaalsContact O-N 3.1Å
57	K	97.5	Very high	98.2	Very high	77 Å²	77	43.1 Å²	43.1	34%	0.335	26%	0.256	S	S	.	.			trans	-79.3	149.7	-178.6	-58.6	-173.6	-176.4	-179	0	111	L54 V96 F97	L54-K57 HydrophobicContact CD2-CD 3.82Å; L54-K57 WeakPolarHBondContact O-CB 3.01Å; L54-K57 PolarHBondContact O-N 3.5Å; K57-V96 HydrophobicContact CB-CG1 3.85Å; K57-V96 HydrophobicContact CD-CG1 4.28Å; K57-F97 HydrophobicContact CB-CE1 3.96Å
58	S	97.9	Very high	98.2	Very high	62 Å²	62	40.3 Å²	40.3	43%	0.434	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-144.8	149.2	168	64.6	0	0	0	0	109.9	F63	S58-F63 CarbonylContact C-O 3.52Å; S58-F63 WeakPolarHBondContact CA-O 3.26Å
59	T	98.4	Very high	98.2	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.031	22%	0.218	C	C	.	.			trans	-69.6	170.5	172.1	70.6	0	0	0	0	110.8	S61 G62 F63 D90 E92 V96 F97	T59-S61 PolarHBondContact O-N 2.85Å; T59-S61 VanDerWaalsContact O-N 3.16Å; T59-S61 PolarHBondContact OG1-N 2.94Å; T59-S61 PolarHBondContact OG1-OG 3.5Å; T59-G62 PolarHBondContact O-N 3.01Å; T59-F63 HydrophobicContact CG2-CB 4.09Å; T59-F63 PolarHBondContact N-O 2.79Å; T59-F63 WeakPolarHBondContact OG1-CB 3.5Å; T59-F63 PolarHBondContact OG1-N 3.09Å; T59-F63 VanDerWaalsContact OG1-N 3.14Å; T59-D90 WeakPolarHBondContact CB-OD2 3.4Å; T59-D90 VanDerWaalsContact CG2-OD1 3.31Å; T59-D90 WeakPolarHBondContact CG2-OD1 3.41Å; T59-D90 PolarHBondContact OG1-OD2 3.04Å; T59-E92 HydrophobicContact CG2-CB 4.44Å; T59-V96 HydrophobicContact CG2-CB 4.29Å; T59-V96 HydrophobicContact CG2-CG2 4.25Å; T59-F97 HydrophobicContact CG2-CE2 3.77Å; T59-F97 HydrophobicContact CG2-CZ 4.46Å
60	P	97.8	Very high	98.2	Very high	89 Å²	89	34.2 Å²	34.2	58%	0.578	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.8	175.9	-26.3	36.5	0	0	0	114.2	G62 E92	P60-G62 VanDerWaalsContact C-N 3.3Å; P60-E92 HydrophobicContact CG-CG 4.04Å
61	S	97.1	Very high	98.2	Very high	39 Å²	39	33.4 Å²	33.4	27%	0.273	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-5.4	175.6	77.3	0	0	0	0	113.5	T59 D90 C153 H157	T59-S61 PolarHBondContact O-N 2.85Å; T59-S61 VanDerWaalsContact O-N 3.16Å; T59-S61 PolarHBondContact OG1-N 2.94Å; T59-S61 PolarHBondContact OG1-OG 3.5Å; S61-D90 WeakPolarHBondContact CB-OD2 3.47Å; S61-D90 PolarHBondContact OG-OD2 3.27Å; S61-C153 WeakPolarHBondContact CB-SG 3.31Å; S61-H157 PolarHBondContact O-NE2 2.97Å; S61-H157 PolarHBondContact OG-CD2 3.5Å; S61-H157 PolarHBondContact OG-NE2 3.43Å
62	G	97.6	Very high	98.2	Very high	19 Å²	19	33.4 Å²	33.4	20%	0.196	20%	0.2	C	C	.	.			trans	86.2	11.4	-178.3	0	0	0	0	0	115.1	N17 T59 P60	N17-G62 PolarHBondContact ND2-O 3.23Å; T59-G62 PolarHBondContact O-N 3.01Å; P60-G62 VanDerWaalsContact C-N 3.3Å
63	F	98.4	Very high	98.2	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.026	19%	0.192	C	C	.	.			trans	-68.1	133.9	173.6	-156.2	-111.2	0	0	0	110.1	S58 T59 D67 V68 V87 P156 H157	S58-F63 CarbonylContact C-O 3.52Å; S58-F63 WeakPolarHBondContact CA-O 3.26Å; T59-F63 HydrophobicContact CG2-CB 4.09Å; T59-F63 PolarHBondContact N-O 2.79Å; T59-F63 WeakPolarHBondContact OG1-CB 3.5Å; T59-F63 PolarHBondContact OG1-N 3.09Å; T59-F63 VanDerWaalsContact OG1-N 3.14Å; F63-D67 HydrophobicContact CD1-CB 4.23Å; F63-D67 HydrophobicContact CD2-CB 3.67Å; F63-D67 HydrophobicContact CE1-CB 3.91Å; F63-D67 HydrophobicContact CE2-CB 3.34Å; F63-D67 HydrophobicContact CG-CB 4.12Å; F63-D67 HydrophobicContact CZ-CB 3.46Å; F63-D67 VanDerWaalsContact CZ-CB 3.46Å; F63-V68 HydrophobicContact CD1-CG2 3.88Å; F63-V68 HydrophobicContact CE1-CB 4.37Å; F63-V68 HydrophobicContact CE1-CG2 3.57Å; F63-V87 HydrophobicContact CZ-CG2 4.47Å; F63-P156 HydrophobicContact CE2-CB 4.26Å; F63-P156 HydrophobicContact CZ-CB 4.2Å; F63-H157 HydrophobicContact CD2-CB 3.59Å; F63-H157 AromaticContact CD2-CD2 3.86Å; F63-H157 AromaticContact CD2-CG 3.46Å; F63-H157 VanDerWaalsContact CD2-CG 3.46Å; F63-H157 AromaticContact CD2-ND1 3.71Å; F63-H157 HydrophobicContact CE2-CB 3.77Å
64	T	98.7	Very high	98.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-115.3	169.2	-171	68	0	0	0	0	112.3	N20 D66 D67 V68 F97	N20-T64 HydrophobicContact CB-CG2 4.27Å; T64-D66 VanDerWaalsContact C-N 3.26Å; T64-D66 PolarHBondContact O-N 3.15Å; T64-D67 WeakPolarHBondContact CB-OD2 3.38Å; T64-D67 PolarHBondContact N-OD2 2.98Å; T64-D67 PolarHBondContact O-N 3.43Å; T64-D67 VanDerWaalsContact OG1-CG 3.24Å; T64-D67 PolarHBondContact OG1-N 2.91Å; T64-D67 PolarHBondContact OG1-OD2 3.44Å; T64-V68 WeakPolarHBondContact O-CG2 3.31Å; T64-V68 PolarHBondContact O-N 2.84Å; T64-F97 VanDerWaalsContact C-CZ 3.45Å
65	L	98.8	Very high	98.1	Very high	1 Å²	1	32 Å²	32	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-56.9	-40.5	173.5	-178.8	68.5	0	0	0	112.1	Y51 L54 R55 D67 V68 I69 F97 L100	Y51-L65 HydrophobicContact CD2-CD2 3.48Å; Y51-L65 VanDerWaalsContact CD2-CD2 3.48Å; Y51-L65 HydrophobicContact CD2-CG 4.47Å; Y51-L65 HydrophobicContact CE2-CD2 3.86Å; Y51-L65 HydrophobicContact CG-CD2 4.26Å; L54-L65 HydrophobicContact CB-CD1 4.19Å; L54-L65 HydrophobicContact CB-CD2 3.71Å; L54-L65 HydrophobicContact CB-CG 4.39Å; L54-L65 HydrophobicContact CD1-CD1 4.21Å; R55-L65 HydrophobicContact CB-CD2 4.43Å; L65-D67 VanDerWaalsContact C-N 3.29Å; L65-D67 PolarHBondContact O-N 3.2Å; L65-V68 VanDerWaalsContact O-CB 3.32Å; L65-V68 WeakPolarHBondContact O-CB 3.23Å; L65-V68 PolarHBondContact O-N 3.3Å; L65-V68 VanDerWaalsContact O-N 3.13Å; L65-I69 HydrophobicContact CD1-CG2 4.29Å; L65-I69 WeakPolarHBondContact O-CG1 3.24Å; L65-I69 PolarHBondContact O-N 3.49Å; L65-F97 HydrophobicContact CB-CD1 4.21Å; L65-F97 HydrophobicContact CB-CE1 3.92Å; L65-F97 HydrophobicContact CD1-CD1 4.12Å; L65-L100 HydrophobicContact CD1-CD2 3.67Å
66	D	98.7	Very high	98	Very high	19 Å²	19	34.4 Å²	34.4	10%	0.102	21%	0.208	C	C	.	.	H	α-helix	trans	-64.6	-38.1	179.7	-66.2	-24.3	0	0	0	111.1	K23 Y51 T64 V68 I69 Q70	K23-D66 WeakPolarHBondContact CD-OD2 3.34Å; K23-D66 WeakPolarHBondContact CE-OD2 3.48Å; K23-D66 IonicContact NZ-OD2 3.67Å; K23-D66 PolarHBondContact NZ-OD2 3.46Å; Y51-D66 WeakPolarHBondContact CE2-OD1 3.36Å; Y51-D66 PolarHBondContact OH-OD1 3.23Å; Y51-D66 PolarHBondContact OH-OD2 3.02Å; T64-D66 VanDerWaalsContact C-N 3.26Å; T64-D66 PolarHBondContact O-N 3.15Å; D66-V68 VanDerWaalsContact C-N 3.3Å; D66-V68 PolarHBondContact O-N 2.89Å; D66-I69 PolarHBondContact O-N 2.86Å; D66-Q70 WeakPolarHBondContact O-CB 3.48Å; D66-Q70 PolarHBondContact O-N 2.89Å
67	D	98.8	Very high	97.7	Very high	59 Å²	59	33 Å²	33	32%	0.316	20%	0.2	S	C	.	.	H	α-helix	trans	-65.2	-36	174.7	-51.9	-55.2	0	0	0	111.5	F63 T64 L65	F63-D67 HydrophobicContact CD1-CB 4.23Å; F63-D67 HydrophobicContact CD2-CB 3.67Å; F63-D67 HydrophobicContact CE1-CB 3.91Å; F63-D67 HydrophobicContact CE2-CB 3.34Å; F63-D67 HydrophobicContact CG-CB 4.12Å; F63-D67 HydrophobicContact CZ-CB 3.46Å; F63-D67 VanDerWaalsContact CZ-CB 3.46Å; T64-D67 WeakPolarHBondContact CB-OD2 3.38Å; T64-D67 PolarHBondContact N-OD2 2.98Å; T64-D67 PolarHBondContact O-N 3.43Å; T64-D67 VanDerWaalsContact OG1-CG 3.24Å; T64-D67 PolarHBondContact OG1-N 2.91Å; T64-D67 PolarHBondContact OG1-OD2 3.44Å; L65-D67 VanDerWaalsContact C-N 3.29Å; L65-D67 PolarHBondContact O-N 3.2Å
68	V	98.9	Very high	96.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-46.6	175.4	168.4	0	0	0	0	111.2	F63 T64 L65 D66 C86 V87 F97 L100 F101	F63-V68 HydrophobicContact CD1-CG2 3.88Å; F63-V68 HydrophobicContact CE1-CB 4.37Å; F63-V68 HydrophobicContact CE1-CG2 3.57Å; T64-V68 WeakPolarHBondContact O-CG2 3.31Å; T64-V68 PolarHBondContact O-N 2.84Å; L65-V68 VanDerWaalsContact O-CB 3.32Å; L65-V68 WeakPolarHBondContact O-CB 3.23Å; L65-V68 PolarHBondContact O-N 3.3Å; L65-V68 VanDerWaalsContact O-N 3.13Å; D66-V68 VanDerWaalsContact C-N 3.3Å; D66-V68 PolarHBondContact O-N 2.89Å; V68-C86 HydrophobicContact CG1-CB 3.76Å; V68-C86 CarbonylContact O-C 3.59Å; V68-C86 WeakPolarHBondContact O-CA 3.33Å; V68-C86 VanDerWaalsContact O-CB 3.27Å; V68-C86 WeakPolarHBondContact O-CB 3.45Å; V68-V87 WeakPolarHBondContact CA-O 3.44Å; V68-V87 PolarHBondContact O-N 3.04Å; V68-F97 HydrophobicContact CG2-CD2 3.66Å; V68-F97 HydrophobicContact CG2-CE2 3.88Å; V68-F97 HydrophobicContact CG2-CG 4.29Å; V68-L100 HydrophobicContact CG1-CD2 4.07Å; V68-F101 HydrophobicContact CG1-CE1 4.12Å; V68-F101 HydrophobicContact CG1-CE2 4.06Å; V68-F101 HydrophobicContact CG1-CZ 3.53Å; V68-F101 HydrophobicContact CG2-CE2 4.29Å; V68-F101 HydrophobicContact CG2-CZ 4.19Å
69	I	98.8	Very high	95.9	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-93.9	-13.5	-168.7	69.4	179	0	0	0	114.4	P33 M42 L46 Y51 L65 D66 T71 G72 V73 L100	P33-I69 HydrophobicContact CG-CD1 4.17Å; M42-I69 HydrophobicContact CE-CB 3.97Å; M42-I69 HydrophobicContact CG-CB 4.07Å; M42-I69 HydrophobicContact CG-CG2 3.73Å; M42-I69 HydrophobicContact SD-CB 3.91Å; M42-I69 HydrophobicContact SD-CG2 3.92Å; L46-I69 HydrophobicContact CD2-CD1 3.78Å; Y51-I69 HydrophobicContact CD2-CD1 4.45Å; Y51-I69 HydrophobicContact CE2-CD1 4.26Å; L65-I69 HydrophobicContact CD1-CG2 4.29Å; L65-I69 WeakPolarHBondContact O-CG1 3.24Å; L65-I69 PolarHBondContact O-N 3.49Å; D66-I69 PolarHBondContact O-N 2.86Å; I69-T71 VanDerWaalsContact C-N 3.26Å; I69-T71 PolarHBondContact O-N 3.08Å; I69-T71 VanDerWaalsContact O-N 3.1Å; I69-G72 WeakPolarHBondContact O-CA 3.28Å; I69-G72 PolarHBondContact O-N 3.17Å; I69-V73 HydrophobicContact CD1-CG2 4.26Å; I69-V73 HydrophobicContact CG1-CG2 4.08Å; I69-V73 PolarHBondContact O-N 3.25Å; I69-L100 HydrophobicContact CG2-CD2 3.61Å
70	Q	98.8	Very high	94.6	Very high	75 Å²	75	40.5 Å²	40.5	35%	0.35	23%	0.233	S	C	.	.	H	α-helix	trans	-51.1	-43.5	-170	-169.5	65.2	59.2	0	0	113.2	D66 G72 V73 D74	D66-Q70 WeakPolarHBondContact O-CB 3.48Å; D66-Q70 PolarHBondContact O-N 2.89Å; Q70-G72 VanDerWaalsContact C-N 3.28Å; Q70-G72 PolarHBondContact O-N 2.77Å; Q70-V73 PolarHBondContact O-N 2.8Å; Q70-V73 VanDerWaalsContact O-N 3.15Å; Q70-D74 PolarHBondContact NE2-OD1 2.9Å; Q70-D74 PolarHBondContact O-N 3.16Å
71	T	98.4	Very high	93.6	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-35	179.6	-168.7	0	0	0	0	112.6	I69 N75 V87 L213	I69-T71 VanDerWaalsContact C-N 3.26Å; I69-T71 PolarHBondContact O-N 3.08Å; I69-T71 VanDerWaalsContact O-N 3.1Å; T71-N75 WeakPolarHBondContact O-CB 3.37Å; T71-N75 PolarHBondContact O-N 3.18Å; T71-N75 VanDerWaalsContact O-N 3.09Å; T71-N75 PolarHBondContact O-ND2 3.25Å; T71-V87 HydrophobicContact CG2-CG1 4.19Å; T71-L213 WeakPolarHBondContact OG1-CA 3.39Å; T71-L213 PolarHBondContact OG1-O 3.34Å
72	G	98.4	Very high	93.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-76.2	-30.9	175.4	0	0	0	0	0	113.1	H38 N40 I69 Q70 N75 G85	H38-G72 PolarHBondContact CD2-O 3.49Å; N40-G72 PolarHBondContact ND2-O 3.03Å; I69-G72 WeakPolarHBondContact O-CA 3.28Å; I69-G72 PolarHBondContact O-N 3.17Å; Q70-G72 VanDerWaalsContact C-N 3.28Å; Q70-G72 PolarHBondContact O-N 2.77Å; G72-N75 CarbonylContact O-C 3.56Å; G72-G85 VanDerWaalsContact CA-CA 3.49Å; G72-G85 WeakPolarHBondContact CA-O 3.37Å; G72-G85 PolarHBondContact N-O 3.43Å
73	V	98.5	Very high	92.9	Very high	37 Å²	37	40.5 Å²	40.5	22%	0.224	22%	0.219	C	C	.	.	H	α-helix	trans	-66	-46.5	173.3	177.6	0	0	0	0	110.3	P33 L35 H38 M42 I69 Q70 N75	P33-V73 HydrophobicContact CB-CG1 4.1Å; P33-V73 HydrophobicContact CB-CG2 3.75Å; P33-V73 HydrophobicContact CG-CG2 4.15Å; L35-V73 HydrophobicContact CD2-CG2 4.23Å; H38-V73 PolarHBondContact NE2-O 2.96Å; M42-V73 HydrophobicContact CE-CG2 4.16Å; I69-V73 HydrophobicContact CD1-CG2 4.26Å; I69-V73 HydrophobicContact CG1-CG2 4.08Å; I69-V73 PolarHBondContact O-N 3.25Å; Q70-V73 PolarHBondContact O-N 2.8Å; Q70-V73 VanDerWaalsContact O-N 3.15Å; V73-N75 VanDerWaalsContact C-N 3.32Å; V73-N75 PolarHBondContact O-N 3.41Å
74	D	98.3	Very high	92.8	Very high	86 Å²	86	40.7 Å²	40.7	46%	0.46	22%	0.22	S	C	.	.	H	α-helix	trans	-75.3	-22.9	-177.3	-67.3	-3.9	0	0	0	112.9	Q70 P76 A216	Q70-D74 PolarHBondContact NE2-OD1 2.9Å; Q70-D74 PolarHBondContact O-N 3.16Å; D74-P76 WeakPolarHBondContact O-CD 3.27Å; D74-A216 HydrophobicContact CB-CB 3.87Å
75	N	97	Very high	92.8	Very high	16 Å²	16	40.9 Å²	40.9	9%	0.086	22%	0.222	C	C	.	.			trans	-118.8	93.2	-177.4	-60.9	-87.4	0	0	0	110.8	N40 T71 G72 V73 G77 P212 L213	N40-N75 PolarHBondContact ND2-O 2.87Å; T71-N75 WeakPolarHBondContact O-CB 3.37Å; T71-N75 PolarHBondContact O-N 3.18Å; T71-N75 VanDerWaalsContact O-N 3.09Å; T71-N75 PolarHBondContact O-ND2 3.25Å; G72-N75 CarbonylContact O-C 3.56Å; V73-N75 VanDerWaalsContact C-N 3.32Å; V73-N75 PolarHBondContact O-N 3.41Å; N75-G77 PolarHBondContact O-N 3.14Å; N75-P212 PolarHBondContact ND2-O 3.3Å; N75-P212 VanDerWaalsContact OD1-CB 3.26Å; N75-P212 WeakPolarHBondContact OD1-CB 3.45Å; N75-P212 WeakPolarHBondContact OD1-CG 3.34Å; N75-L213 HydrophobicContact CB-CD2 3.73Å
76	P	94.9	Very high	92.8	Very high	63 Å²	63	40.9 Å²	40.9	41%	0.409	22%	0.223	S	C	.	.	S	Bend	trans	-65	-15	-177.8	25.9	-34.6	0	0	0	113.5	H38 N39 D74	H38-P76 CarbonylContact C-O 3.55Å; H38-P76 WeakPolarHBondContact CA-O 3.16Å; H38-P76 HydrophobicContact CB-CB 4.46Å; N39-P76 CarbonylContact C-O 3.51Å; N39-P76 PolarHBondContact N-O 2.71Å; D74-P76 WeakPolarHBondContact O-CD 3.27Å
77	G	89.4	Confident	92.8	Very high	31 Å²	31	40.4 Å²	40.4	32%	0.32	22%	0.221	S	C	.	.			trans	179.2	-171.4	173.8	0	0	0	0	0	110.7	N75	N75-G77 PolarHBondContact O-N 3.14Å
78	H	82.4	Confident	92.8	Very high	37 Å²	37	37.6 Å²	37.6	17%	0.171	21%	0.206	C	C	.	.			trans	-136.1	141.5	174.4	-168.2	-97.2	0	0	0	110.8	Y80 I81 T83 D338	H78-Y80 AromaticContact CE1-CD2 3.8Å; H78-Y80 PolarHBondContact O-N 2.97Å; H78-I81 HydrophobicContact CB-CG1 4.27Å; H78-I81 WeakPolarHBondContact CB-O 3.38Å; H78-T83 HydrophobicContact CB-CG2 3.48Å; H78-T83 VanDerWaalsContact CB-CG2 3.48Å; H78-D338 IonicContact CE1-OD1 3.41Å; H78-D338 PolarHBondContact CE1-OD1 3.14Å; H78-D338 IonicContact NE2-OD1 2.66Å; H78-D338 PolarHBondContact NE2-OD1 3.19Å
79	P	76.1	Confident	92.8	Very high	112 Å²	112	37.6 Å²	37.6	73%	0.727	21%	0.206	S	C	*	.	S	Bend	trans	-59.3	-24.6	-173.9	-26.7	35.1	0	0	0	115.4
80	Y	71.5	Confident	92.8	Very high	151 Å²	151	37.6 Å²	37.6	59%	0.592	21%	0.206	S	C	*	.	S	Bend	trans	-117.3	-21.2	-169.5	-56.1	-63.8	0	0	0	115.2	H78	H78-Y80 AromaticContact CE1-CD2 3.8Å; H78-Y80 PolarHBondContact O-N 2.97Å
81	I	76.7	Confident	92.8	Very high	68 Å²	68	35.7 Å²	35.7	35%	0.349	20%	0.197	S	C	.	.	S	Bend	trans	-146.6	154.4	-171.7	60.4	167.5	0	0	0	111.4	H78 T83 V337	H78-I81 HydrophobicContact CB-CG1 4.27Å; H78-I81 WeakPolarHBondContact CB-O 3.38Å; I81-T83 HydrophobicContact CG1-CG2 4.37Å; I81-T83 PolarHBondContact O-N 3.04Å; I81-V337 HydrophobicContact CD1-CG2 3.94Å; I81-V337 HydrophobicContact CG2-CG2 4.43Å
82	M	86.9	Confident	92.8	Very high	73 Å²	73	39.5 Å²	39.5	36%	0.36	21%	0.214	S	C	.	.			trans	-71.1	122.5	162.8	-176.8	70.9	66.3	0	0	108.8	N39 H41	N39-M82 VanDerWaalsContact OD1-CE 3.29Å; N39-M82 WeakPolarHBondContact OD1-CE 3.39Å; H41-M82 WeakPolarHBondContact NE2-CG 3.41Å
83	T	92.6	Very high	92.8	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.043	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-92	156.2	178.2	52.9	0	0	0	0	111.4	N40 H41 H78 I81 L213	N40-T83 WeakPolarHBondContact CA-O 3.5Å; N40-T83 WeakPolarHBondContact CB-O 3.31Å; N40-T83 WeakPolarHBondContact CB-OG1 3.31Å; H41-T83 PolarHBondContact CD2-O 3.44Å; H41-T83 VanDerWaalsContact CD2-O 3.23Å; H41-T83 PolarHBondContact N-O 3.3Å; H78-T83 HydrophobicContact CB-CG2 3.48Å; H78-T83 VanDerWaalsContact CB-CG2 3.48Å; I81-T83 HydrophobicContact CG1-CG2 4.37Å; I81-T83 PolarHBondContact O-N 3.04Å; T83-L213 HydrophobicContact CG2-CD1 3.73Å; T83-L213 HydrophobicContact CG2-CD2 4.1Å
84	V	97.1	Very high	92.9	Very high	9 Å²	9	38.3 Å²	38.3	6%	0.055	21%	0.206	C	C	.	.			trans	-70	-47.8	175.5	-173.5	0	0	0	0	111	H41 M42 I104 R108 P296	H41-V84 CarbonylContact C-O 3.09Å; H41-V84 WeakPolarHBondContact CB-O 3.37Å; H41-V84 PolarHBondContact N-O 2.95Å; M42-V84 PolarHBondContact N-O 3.24Å; V84-I104 HydrophobicContact CG1-CG2 3.5Å; V84-R108 HydrophobicContact CG2-CG 4.37Å; V84-P296 HydrophobicContact CG1-CB 3.89Å; V84-P296 HydrophobicContact CG1-CG 3.81Å
85	G	97.8	Very high	92.9	Very high	5 Å²	5	39.8 Å²	39.8	5%	0.052	21%	0.214	C	C	.	.			trans	81.6	10.9	179.7	0	0	0	0	0	114.7	M42 G72	M42-G85 WeakPolarHBondContact CB-O 3.32Å; G72-G85 VanDerWaalsContact CA-CA 3.49Å; G72-G85 WeakPolarHBondContact CA-O 3.37Å; G72-G85 PolarHBondContact N-O 3.43Å
86	C	98.7	Very high	93	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	22%	0.219	C	C	.	.			trans	-148.9	162.2	170.3	63.6	0	0	0	0	111.8	M42 V68 F101 I104 P296	M42-C86 HydrophobicContact CB-CB 4.2Å; M42-C86 HydrophobicContact CG-CB 4.13Å; V68-C86 HydrophobicContact CG1-CB 3.76Å; V68-C86 CarbonylContact O-C 3.59Å; V68-C86 WeakPolarHBondContact O-CA 3.33Å; V68-C86 VanDerWaalsContact O-CB 3.27Å; V68-C86 WeakPolarHBondContact O-CB 3.45Å; C86-F101 HydrophobicContact CB-CE1 4.48Å; C86-I104 VanDerWaalsContact SG-CD1 3.56Å; C86-P296 WeakPolarHBondContact O-CD 3.35Å
87	V	98.9	Very high	93.1	Very high	10 Å²	10	37.6 Å²	37.6	6%	0.061	20%	0.199	C	C	.	.			trans	-138.8	154.8	178.8	-66.7	0	0	0	0	111.5	F63 V68 T71 P156 T294	F63-V87 HydrophobicContact CZ-CG2 4.47Å; V68-V87 WeakPolarHBondContact CA-O 3.44Å; V68-V87 PolarHBondContact O-N 3.04Å; T71-V87 HydrophobicContact CG2-CG1 4.19Å; V87-P156 HydrophobicContact CB-CG 4.1Å; V87-P156 HydrophobicContact CG2-CB 4.15Å; V87-P156 HydrophobicContact CG2-CG 3.87Å; V87-T294 WeakPolarHBondContact CA-O 3.35Å; V87-T294 HydrophobicContact CB-CG2 4.08Å; V87-T294 HydrophobicContact CG1-CG2 4.18Å
88	A	98.9	Very high	93.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.			trans	-91.1	139.4	167.2	0	0	0	0	0	110.9	Y94 F101 L154 T294	A88-Y94 HydrophobicContact CB-CD2 3.86Å; A88-Y94 HydrophobicContact CB-CE2 3.3Å; A88-F101 HydrophobicContact CB-CZ 4.41Å; A88-L154 HydrophobicContact CB-CD1 3.73Å; A88-T294 PolarHBondContact N-O 3.2Å
89	G	98.8	Very high	94.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-95.6	-18.4	176.1	0	0	0	0	0	113.4	S93 C153 L154	G89-S93 PolarHBondContact N-OG 2.82Å; G89-S93 VanDerWaalsContact N-OG 3.16Å; G89-C153 CarbonylContact O-C 3.43Å; G89-C153 WeakPolarHBondContact O-CA 3.5Å; G89-C153 WeakPolarHBondContact O-CB 3.43Å; G89-L154 PolarHBondContact O-N 3.07Å
90	D	98.9	Very high	95.4	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	18%	0.176	C	C	.	.	S	Bend	trans	-160.2	178.8	178.1	51.8	29.6	0	0	0	110	T59 S61 E92 S93	T59-D90 WeakPolarHBondContact CB-OD2 3.4Å; T59-D90 VanDerWaalsContact CG2-OD1 3.31Å; T59-D90 WeakPolarHBondContact CG2-OD1 3.41Å; T59-D90 PolarHBondContact OG1-OD2 3.04Å; S61-D90 WeakPolarHBondContact CB-OD2 3.47Å; S61-D90 PolarHBondContact OG-OD2 3.27Å; D90-E92 VanDerWaalsContact C-N 3.33Å; D90-E92 PolarHBondContact OD1-N 2.81Å; D90-S93 PolarHBondContact N-OG 2.86Å; D90-S93 WeakPolarHBondContact O-CB 3.28Å; D90-S93 PolarHBondContact O-N 3.49Å; D90-S93 PolarHBondContact O-OG 3.32Å; D90-S93 WeakPolarHBondContact OD1-CB 3.4Å; D90-S93 PolarHBondContact OD1-N 3.28Å; D90-S93 PolarHBondContact OD1-OG 2.82Å
91	E	98.8	Very high	96.8	Very high	35 Å²	35	29 Å²	29	16%	0.164	15%	0.148	C	C	.	.	S	Bend	trans	-65.4	-39	-178.9	-169.1	167.7	-162.9	0	0	111.2	S93 Y94 R150 M284 I292	E91-S93 PolarHBondContact O-N 2.87Å; E91-Y94 PolarHBondContact O-N 3Å; E91-R150 IonicContact OE1-CZ 2.64Å; E91-R150 IonicContact OE1-NE 3.03Å; E91-R150 PolarHBondContact OE1-NE 2.8Å; E91-R150 IonicContact OE1-NH2 2.74Å; E91-R150 PolarHBondContact OE1-NH2 3.29Å; E91-R150 WeakPolarHBondContact OE2-CG 3.3Å; E91-R150 IonicContact OE2-CZ 3.61Å; E91-R150 IonicContact OE2-NE 3.81Å; E91-R150 PolarHBondContact OE2-NE 3.23Å; E91-R150 IonicContact OE2-NH2 3.31Å; E91-M284 HydrophobicContact CB-CE 4.19Å; E91-M284 HydrophobicContact CB-CG 4.31Å; E91-M284 HydrophobicContact CB-SD 3.84Å; E91-M284 HydrophobicContact CG-CB 4.3Å; E91-M284 HydrophobicContact CG-CG 4.3Å; E91-M284 HydrophobicContact CG-SD 4.3Å; E91-I292 HydrophobicContact CG-CG1 4.41Å
92	E	98.8	Very high	97.8	Very high	86 Å²	86	26.8 Å²	26.8	40%	0.402	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.4	-178.8	-64.2	87.5	164.1	0	0	113.5	T59 P60 D90 Y94 D95 V96	T59-E92 HydrophobicContact CG2-CB 4.44Å; P60-E92 HydrophobicContact CG-CG 4.04Å; D90-E92 VanDerWaalsContact C-N 3.33Å; D90-E92 PolarHBondContact OD1-N 2.81Å; E92-Y94 PolarHBondContact O-N 2.8Å; E92-D95 PolarHBondContact O-N 3.27Å; E92-V96 HydrophobicContact CB-CG2 4.44Å; E92-V96 WeakPolarHBondContact O-CG2 3.16Å; E92-V96 PolarHBondContact O-N 3.33Å
93	S	98.9	Very high	98.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-51.9	-41	176.3	-65.4	0	0	0	0	112	G89 D90 E91 D95 F97 F101	G89-S93 PolarHBondContact N-OG 2.82Å; G89-S93 VanDerWaalsContact N-OG 3.16Å; D90-S93 PolarHBondContact N-OG 2.86Å; D90-S93 WeakPolarHBondContact O-CB 3.28Å; D90-S93 PolarHBondContact O-N 3.49Å; D90-S93 PolarHBondContact O-OG 3.32Å; D90-S93 WeakPolarHBondContact OD1-CB 3.4Å; D90-S93 PolarHBondContact OD1-N 3.28Å; D90-S93 PolarHBondContact OD1-OG 2.82Å; E91-S93 PolarHBondContact O-N 2.87Å; S93-D95 VanDerWaalsContact C-N 3.27Å; S93-D95 PolarHBondContact O-N 2.73Å; S93-F97 WeakPolarHBondContact O-CD2 3.3Å; S93-F97 PolarHBondContact O-N 2.91Å; S93-F97 VanDerWaalsContact O-N 3.11Å; S93-F101 WeakPolarHBondContact O-CD2 3.44Å; S93-F101 VanDerWaalsContact O-CE2 3.29Å; S93-F101 WeakPolarHBondContact O-CE2 3.38Å
94	Y	98.9	Very high	98.6	Very high	12 Å²	12	25.5 Å²	25.5	5%	0.047	13%	0.133	C	C	.	.	H	α-helix	trans	-69.1	-21.9	-179.8	-75.7	-73.2	0	0	0	113.8	A88 E91 E92 K98 F101 I105 L289 I292 L293 P296 L299	A88-Y94 HydrophobicContact CB-CD2 3.86Å; A88-Y94 HydrophobicContact CB-CE2 3.3Å; E91-Y94 PolarHBondContact O-N 3Å; E92-Y94 PolarHBondContact O-N 2.8Å; Y94-K98 WeakPolarHBondContact O-CA 3.48Å; Y94-K98 WeakPolarHBondContact O-CB 3.43Å; Y94-F101 HydrophobicContact CD1-CB 4.18Å; Y94-F101 HydrophobicContact CD1-CD1 4.02Å; Y94-F101 HydrophobicContact CD1-CD2 4.05Å; Y94-F101 HydrophobicContact CD1-CE1 4.4Å; Y94-F101 HydrophobicContact CD1-CE2 4.43Å; Y94-F101 AromaticContact CD1-CG 3.83Å; Y94-F101 HydrophobicContact CD1-CG 3.83Å; Y94-F101 AromaticContact CE1-CD1 3.83Å; Y94-F101 HydrophobicContact CE1-CD1 3.83Å; Y94-F101 HydrophobicContact CE1-CE1 4.02Å; Y94-F101 HydrophobicContact CE1-CG 4.14Å; Y94-F101 HydrophobicContact CE1-CZ 4.47Å; Y94-I105 HydrophobicContact CD1-CD1 4.24Å; Y94-I105 HydrophobicContact CE1-CD1 4.27Å; Y94-L289 HydrophobicContact CD1-CD1 3.96Å; Y94-L289 HydrophobicContact CG-CD1 3.86Å; Y94-I292 HydrophobicContact CD2-CD1 4.33Å; Y94-I292 HydrophobicContact CD2-CG2 3.66Å; Y94-I292 HydrophobicContact CE2-CG2 3.54Å; Y94-L293 WeakPolarHBondContact CE2-O 3.39Å; Y94-L293 PolarHBondContact OH-O 2.9Å; Y94-P296 HydrophobicContact CE1-CG 4.16Å; Y94-L299 HydrophobicContact CD1-CD1 4.34Å; Y94-L299 HydrophobicContact CE1-CD1 3.67Å; Y94-L299 HydrophobicContact CE1-CD2 4.19Å; Y94-L299 HydrophobicContact CE1-CG 4.36Å; Y94-L299 HydrophobicContact CE2-CD2 4.06Å
95	D	98.6	Very high	98.7	Very high	117 Å²	117	25.1 Å²	25.1	63%	0.626	13%	0.131	S	C	*	.	H	α-helix	trans	-92.9	-47.2	175.7	-175.5	64	0	0	0	111.4	E92 S93 F97 K98	E92-D95 PolarHBondContact O-N 3.27Å; S93-D95 VanDerWaalsContact C-N 3.27Å; S93-D95 PolarHBondContact O-N 2.73Å; D95-F97 VanDerWaalsContact C-N 3.29Å; D95-F97 PolarHBondContact O-N 3.23Å; D95-K98 WeakPolarHBondContact O-CB 3.14Å; D95-K98 WeakPolarHBondContact O-CG 3.15Å; D95-K98 PolarHBondContact O-N 2.88Å
96	V	98.8	Very high	98.7	Very high	32 Å²	32	28.5 Å²	28.5	19%	0.194	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-37.4	-177.4	173.9	0	0	0	0	112	K57 T59 E92	K57-V96 HydrophobicContact CB-CG1 3.85Å; K57-V96 HydrophobicContact CD-CG1 4.28Å; T59-V96 HydrophobicContact CG2-CB 4.29Å; T59-V96 HydrophobicContact CG2-CG2 4.25Å; E92-V96 HydrophobicContact CB-CG2 4.44Å; E92-V96 WeakPolarHBondContact O-CG2 3.16Å; E92-V96 PolarHBondContact O-N 3.33Å
97	F	98.8	Very high	98.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	26.8	-179.1	-49.8	-69	0	0	0	112.4	L54 K57 T59 T64 L65 V68 S93 D95 D99 L100 F101	L54-F97 HydrophobicContact CB-CD1 4.49Å; K57-F97 HydrophobicContact CB-CE1 3.96Å; T59-F97 HydrophobicContact CG2-CE2 3.77Å; T59-F97 HydrophobicContact CG2-CZ 4.46Å; T64-F97 VanDerWaalsContact C-CZ 3.45Å; L65-F97 HydrophobicContact CB-CD1 4.21Å; L65-F97 HydrophobicContact CB-CE1 3.92Å; L65-F97 HydrophobicContact CD1-CD1 4.12Å; V68-F97 HydrophobicContact CG2-CD2 3.66Å; V68-F97 HydrophobicContact CG2-CE2 3.88Å; V68-F97 HydrophobicContact CG2-CG 4.29Å; S93-F97 WeakPolarHBondContact O-CD2 3.3Å; S93-F97 PolarHBondContact O-N 2.91Å; S93-F97 VanDerWaalsContact O-N 3.11Å; D95-F97 VanDerWaalsContact C-N 3.29Å; D95-F97 PolarHBondContact O-N 3.23Å; F97-D99 PolarHBondContact O-N 3.35Å; F97-L100 WeakPolarHBondContact O-CB 3.46Å; F97-L100 PolarHBondContact O-N 2.93Å; F97-F101 HydrophobicContact CB-CD2 3.88Å; F97-F101 HydrophobicContact CB-CE2 3.91Å; F97-F101 HydrophobicContact CD2-CE2 4.41Å; F97-F101 WeakPolarHBondContact O-CD2 3.35Å; F97-F101 PolarHBondContact O-N 2.77Å
98	K	98.7	Very high	98.3	Very high	84 Å²	84	34.2 Å²	34.2	37%	0.365	17%	0.172	S	C	.	.	H	α-helix	trans	-56.6	-34.3	-176.7	67.5	175.3	-71	168.6	0	114	Y94 D95 L100 F101 D102	Y94-K98 WeakPolarHBondContact O-CA 3.48Å; Y94-K98 WeakPolarHBondContact O-CB 3.43Å; D95-K98 WeakPolarHBondContact O-CB 3.14Å; D95-K98 WeakPolarHBondContact O-CG 3.15Å; D95-K98 PolarHBondContact O-N 2.88Å; K98-L100 PolarHBondContact O-N 3.45Å; K98-L100 VanDerWaalsContact O-N 3.12Å; K98-F101 PolarHBondContact O-N 2.76Å; K98-F101 VanDerWaalsContact O-N 3.12Å; K98-D102 VanDerWaalsContact CE-OD2 3.26Å; K98-D102 WeakPolarHBondContact CE-OD2 3.5Å; K98-D102 IonicContact NZ-OD2 3.28Å; K98-D102 WeakPolarHBondContact O-CB 3.37Å; K98-D102 PolarHBondContact O-N 3.25Å
99	D	98.7	Very high	98.1	Very high	68 Å²	68	34.7 Å²	34.7	36%	0.364	17%	0.174	S	C	.	.	H	α-helix	trans	-64.7	-20.8	-179.9	-56	-41.4	0	0	0	112.2	L50 L54 F97 P103	L50-D99 HydrophobicContact CD1-CB 3.74Å; L54-D99 HydrophobicContact CD1-CB 4.43Å; F97-D99 PolarHBondContact O-N 3.35Å; D99-P103 WeakPolarHBondContact O-CD 3.3Å
100	L	98.8	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-91.3	-46	167.8	179.7	67.7	0	0	0	112.1	V45 L46 L50 L54 L65 V68 I69 F97 K98 P103 I104	V45-L100 HydrophobicContact CB-CD1 4.31Å; V45-L100 HydrophobicContact CG1-CD1 3.91Å; L46-L100 HydrophobicContact CB-CD1 4.31Å; L46-L100 HydrophobicContact CD1-CD1 4.03Å; L50-L100 HydrophobicContact CD2-CB 4.29Å; L50-L100 HydrophobicContact CD2-CD1 4.04Å; L54-L100 HydrophobicContact CD1-CB 4.06Å; L65-L100 HydrophobicContact CD1-CD2 3.67Å; V68-L100 HydrophobicContact CG1-CD2 4.07Å; I69-L100 HydrophobicContact CG2-CD2 3.61Å; F97-L100 WeakPolarHBondContact O-CB 3.46Å; F97-L100 PolarHBondContact O-N 2.93Å; K98-L100 PolarHBondContact O-N 3.45Å; K98-L100 VanDerWaalsContact O-N 3.12Å; L100-P103 WeakPolarHBondContact O-CD 3.31Å; L100-I104 HydrophobicContact CD1-CD1 3.83Å; L100-I104 HydrophobicContact CG-CD1 3.79Å; L100-I104 VanDerWaalsContact O-CD1 3.31Å; L100-I104 WeakPolarHBondContact O-CD1 3.43Å; L100-I104 VanDerWaalsContact O-CG1 3.24Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å
101	F	98.9	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.7	-41.1	-174.6	-80.4	-62.2	0	0	0	113.3	V68 C86 A88 S93 Y94 F97 K98 I104 I105 P296	V68-F101 HydrophobicContact CG1-CE1 4.12Å; V68-F101 HydrophobicContact CG1-CE2 4.06Å; V68-F101 HydrophobicContact CG1-CZ 3.53Å; V68-F101 HydrophobicContact CG2-CE2 4.29Å; V68-F101 HydrophobicContact CG2-CZ 4.19Å; C86-F101 HydrophobicContact CB-CE1 4.48Å; A88-F101 HydrophobicContact CB-CZ 4.41Å; S93-F101 WeakPolarHBondContact O-CD2 3.44Å; S93-F101 VanDerWaalsContact O-CE2 3.29Å; S93-F101 WeakPolarHBondContact O-CE2 3.38Å; Y94-F101 HydrophobicContact CD1-CB 4.18Å; Y94-F101 HydrophobicContact CD1-CD1 4.02Å; Y94-F101 HydrophobicContact CD1-CD2 4.05Å; Y94-F101 HydrophobicContact CD1-CE1 4.4Å; Y94-F101 HydrophobicContact CD1-CE2 4.43Å; Y94-F101 AromaticContact CD1-CG 3.83Å; Y94-F101 HydrophobicContact CD1-CG 3.83Å; Y94-F101 AromaticContact CE1-CD1 3.83Å; Y94-F101 HydrophobicContact CE1-CD1 3.83Å; Y94-F101 HydrophobicContact CE1-CE1 4.02Å; Y94-F101 HydrophobicContact CE1-CG 4.14Å; Y94-F101 HydrophobicContact CE1-CZ 4.47Å; F97-F101 HydrophobicContact CB-CD2 3.88Å; F97-F101 HydrophobicContact CB-CE2 3.91Å; F97-F101 HydrophobicContact CD2-CE2 4.41Å; F97-F101 WeakPolarHBondContact O-CD2 3.35Å; F97-F101 PolarHBondContact O-N 2.77Å; K98-F101 PolarHBondContact O-N 2.76Å; K98-F101 VanDerWaalsContact O-N 3.12Å; F101-I104 WeakPolarHBondContact O-CB 3.31Å; F101-I104 PolarHBondContact O-N 3.45Å; F101-I104 VanDerWaalsContact O-N 3.17Å; F101-I105 HydrophobicContact CB-CD1 4.13Å; F101-I105 WeakPolarHBondContact O-CB 3.27Å; F101-I105 WeakPolarHBondContact O-CD1 3.41Å; F101-I105 WeakPolarHBondContact O-CG1 3.4Å; F101-I105 PolarHBondContact O-N 2.64Å; F101-P296 HydrophobicContact CD1-CG 3.8Å; F101-P296 HydrophobicContact CE1-CG 3.7Å
102	D	98.8	Very high	97.5	Very high	20 Å²	20	38.4 Å²	38.4	11%	0.107	22%	0.217	C	C	.	.	H	α-helix	trans	-58.2	-51.6	-175.1	-77.2	0.6	0	0	0	111.7	K98 I104 I105 E106 P114	K98-D102 VanDerWaalsContact CE-OD2 3.26Å; K98-D102 WeakPolarHBondContact CE-OD2 3.5Å; K98-D102 IonicContact NZ-OD2 3.28Å; K98-D102 WeakPolarHBondContact O-CB 3.37Å; K98-D102 PolarHBondContact O-N 3.25Å; D102-I104 VanDerWaalsContact C-N 3.32Å; D102-I104 PolarHBondContact O-N 3.41Å; D102-I105 PolarHBondContact O-N 2.99Å; D102-E106 WeakPolarHBondContact O-CB 3.32Å; D102-E106 PolarHBondContact O-N 2.86Å; D102-P114 HydrophobicContact CB-CG 3.84Å
103	P	98.6	Very high	97.4	Very high	53 Å²	53	39.5 Å²	39.5	34%	0.344	22%	0.221	S	C	.	.	H	α-helix	trans	-65.7	-32.4	176.4	-19.5	31.6	0	0	0	113.6	V45 D99 L100 D107	V45-P103 HydrophobicContact CG1-CB 3.74Å; V45-P103 HydrophobicContact CG1-CG 3.97Å; V45-P103 HydrophobicContact CG2-CB 3.94Å; D99-P103 WeakPolarHBondContact O-CD 3.3Å; L100-P103 WeakPolarHBondContact O-CD 3.31Å; P103-D107 PolarHBondContact O-N 3.41Å
104	I	98.6	Very high	97.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-43.3	175.9	-70.3	172.8	0	0	0	110.5	H41 M42 V45 V84 C86 L100 F101 D102 R108	H41-I104 HydrophobicContact CB-CG2 3.97Å; M42-I104 HydrophobicContact CB-CD1 3.99Å; M42-I104 HydrophobicContact CG-CD1 4.35Å; V45-I104 HydrophobicContact CB-CG1 3.99Å; V45-I104 HydrophobicContact CG1-CG1 4.33Å; V45-I104 HydrophobicContact CG2-CG1 3.75Å; V84-I104 HydrophobicContact CG1-CG2 3.5Å; C86-I104 VanDerWaalsContact SG-CD1 3.56Å; L100-I104 HydrophobicContact CD1-CD1 3.83Å; L100-I104 HydrophobicContact CG-CD1 3.79Å; L100-I104 VanDerWaalsContact O-CD1 3.31Å; L100-I104 WeakPolarHBondContact O-CD1 3.43Å; L100-I104 VanDerWaalsContact O-CG1 3.24Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å; F101-I104 WeakPolarHBondContact O-CB 3.31Å; F101-I104 PolarHBondContact O-N 3.45Å; F101-I104 VanDerWaalsContact O-N 3.17Å; D102-I104 VanDerWaalsContact C-N 3.32Å; D102-I104 PolarHBondContact O-N 3.41Å; I104-R108 WeakPolarHBondContact O-CB 3.36Å; I104-R108 PolarHBondContact O-N 2.83Å
105	I	98.6	Very high	97.3	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-43.9	177.7	-71.1	165.4	0	0	0	109.5	Y94 F101 D102 R108 H109 Y112 L289 P296 L299 L354	Y94-I105 HydrophobicContact CD1-CD1 4.24Å; Y94-I105 HydrophobicContact CE1-CD1 4.27Å; F101-I105 HydrophobicContact CB-CD1 4.13Å; F101-I105 WeakPolarHBondContact O-CB 3.27Å; F101-I105 WeakPolarHBondContact O-CD1 3.41Å; F101-I105 WeakPolarHBondContact O-CG1 3.4Å; F101-I105 PolarHBondContact O-N 2.64Å; D102-I105 PolarHBondContact O-N 2.99Å; I105-R108 PolarHBondContact O-N 2.99Å; I105-H109 WeakPolarHBondContact O-CB 3.42Å; I105-H109 PolarHBondContact O-CD2 3.5Å; I105-H109 PolarHBondContact O-N 3.3Å; I105-Y112 HydrophobicContact CG2-CD1 4.28Å; I105-L289 HydrophobicContact CD1-CD2 3.96Å; I105-P296 HydrophobicContact CG1-CB 4.18Å; I105-L299 HydrophobicContact CD1-CD1 3.52Å; I105-L299 HydrophobicContact CG1-CD1 3.85Å; I105-L354 HydrophobicContact CG2-CD2 3.54Å
106	E	97.8	Very high	97.3	Very high	76 Å²	76	43.8 Å²	43.8	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-59.9	-49.9	177.1	-171	172.5	155	0	0	111.4	D102 G110 G111 Y112	D102-E106 WeakPolarHBondContact O-CB 3.32Å; D102-E106 PolarHBondContact O-N 2.86Å; E106-G110 PolarHBondContact O-N 3.42Å; E106-G111 PolarHBondContact O-N 3.24Å; E106-Y112 WeakPolarHBondContact CA-O 3.26Å; E106-Y112 WeakPolarHBondContact CB-O 3.46Å
107	D	95.1	Very high	97.3	Very high	78 Å²	78	49.3 Å²	49.3	42%	0.417	28%	0.279	S	S	.	.	H	α-helix	trans	-64.6	-42.9	177.9	-171.5	32.8	0	0	0	111.5	H41 K44 P103	H41-D107 IonicContact CE1-OD2 2.87Å; H41-D107 PolarHBondContact CE1-OD2 2.92Å; H41-D107 VanDerWaalsContact CE1-OD2 3.25Å; H41-D107 IonicContact CG-OD2 3.45Å; H41-D107 IonicContact ND1-OD2 3.83Å; H41-D107 PolarHBondContact ND1-OD2 3.34Å; K44-D107 IonicContact NZ-OD2 3.23Å; P103-D107 PolarHBondContact O-N 3.41Å
108	R	93.9	Very high	97.2	Very high	54 Å²	54	49.8 Å²	49.8	20%	0.204	28%	0.282	C	S	.	.	H	α-helix	trans	-70.5	-36.4	-177.4	178.9	57.1	-170.7	81.3	0.6	112.8	H41 V84 I104 I105	H41-R108 WeakPolarHBondContact NE2-CD 3.09Å; V84-R108 HydrophobicContact CG2-CG 4.37Å; I104-R108 WeakPolarHBondContact O-CB 3.36Å; I104-R108 PolarHBondContact O-N 2.83Å; I105-R108 PolarHBondContact O-N 2.99Å
109	H	94.2	Very high	97.1	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.042	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	27.1	-175.8	-64	-80.7	0	0	0	113	I105 G111 P296 S297 L354	I105-H109 WeakPolarHBondContact O-CB 3.42Å; I105-H109 PolarHBondContact O-CD2 3.5Å; I105-H109 PolarHBondContact O-N 3.3Å; H109-G111 PolarHBondContact O-N 3.49Å; H109-P296 PolarHBondContact NE2-O 2.85Å; H109-S297 PolarHBondContact CE1-O 3.2Å; H109-L354 HydrophobicContact CB-CB 4.27Å
110	G	90.6	Very high	97.1	Very high	66 Å²	66	52.1 Å²	52.1	68%	0.68	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	37.4	165.6	0	0	0	0	0	114.3	E106	E106-G110 PolarHBondContact O-N 3.42Å
111	G	95.3	Very high	97	Very high	34 Å²	34	54.1 Å²	54.1	35%	0.351	30%	0.304	S	S	.	.	S	Bend	trans	95.9	19.2	176.9	0	0	0	0	0	114.9	E106 H109 K113	E106-G111 PolarHBondContact O-N 3.24Å; H109-G111 PolarHBondContact O-N 3.49Å; G111-K113 WeakPolarHBondContact O-CG 3.49Å; G111-K113 PolarHBondContact O-N 2.89Å
112	Y	97.4	Very high	97	Very high	16 Å²	16	55.5 Å²	55.5	6%	0.063	31%	0.311	C	S	.	.			trans	-68.7	109.6	174.8	-170.3	-95.6	0	0	0	110.6	I105 E106 D116 E117 H118 H288 L354 G355	I105-Y112 HydrophobicContact CG2-CD1 4.28Å; E106-Y112 WeakPolarHBondContact CA-O 3.26Å; E106-Y112 WeakPolarHBondContact CB-O 3.46Å; Y112-D116 HydrophobicContact CD1-CB 4.46Å; Y112-D116 HydrophobicContact CD2-CB 3.91Å; Y112-D116 HydrophobicContact CE1-CB 4.17Å; Y112-D116 HydrophobicContact CE2-CB 3.53Å; Y112-D116 HydrophobicContact CG-CB 4.37Å; Y112-D116 PolarHBondContact OH-O 3.23Å; Y112-E117 WeakPolarHBondContact OH-CA 3.38Å; Y112-E117 PolarHBondContact OH-O 3.32Å; Y112-H118 WeakPolarHBondContact OH-CA 3.49Å; Y112-H118 PolarHBondContact OH-N 3.25Å; Y112-H288 AromaticContact CE1-CE1 3.56Å; Y112-H288 AromaticContact CE1-ND1 3.79Å; Y112-H288 WeakPolarHBondContact CE1-O 3.33Å; Y112-H288 PolarHBondContact OH-O 3.24Å; Y112-L354 HydrophobicContact CD1-CD1 4.48Å; Y112-L354 HydrophobicContact CD1-CD2 3.33Å; Y112-L354 HydrophobicContact CD1-CG 3.67Å; Y112-L354 HydrophobicContact CD2-CG 4.16Å; Y112-L354 HydrophobicContact CE1-CD1 3.91Å; Y112-L354 HydrophobicContact CE1-CD2 3.5Å; Y112-L354 HydrophobicContact CE1-CG 3.6Å; Y112-L354 HydrophobicContact CE2-CG 4.13Å; Y112-L354 HydrophobicContact CG-CD2 3.93Å; Y112-L354 HydrophobicContact CG-CG 3.93Å; Y112-G355 VanDerWaalsContact CE2-CA 3.43Å
113	K	98.1	Very high	97	Very high	109 Å²	109	57.7 Å²	57.7	47%	0.474	32%	0.323	S	S	.	.			trans	-85.4	158.6	-168.5	-59.3	-175.6	-179.5	-178.5	0	112	G111 S115 D116 H288	G111-K113 WeakPolarHBondContact O-CG 3.49Å; G111-K113 PolarHBondContact O-N 2.89Å; K113-S115 PolarHBondContact O-N 2.84Å; K113-D116 PolarHBondContact N-OD2 3.49Å; K113-D116 WeakPolarHBondContact O-CB 3.4Å; K113-D116 PolarHBondContact O-N 3.4Å; K113-H288 PolarHBondContact O-CE1 3.39Å; K113-H288 VanDerWaalsContact O-CE1 3.27Å
114	P	97.8	Very high	96.9	Very high	65 Å²	65	56 Å²	56	42%	0.422	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.9	172.9	-27.9	38.1	0	0	0	114.9	D102	D102-P114 HydrophobicContact CB-CG 3.84Å
115	S	97.6	Very high	96.9	Very high	96 Å²	96	61.7 Å²	61.7	67%	0.671	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-11.3	176.8	58	0	0	0	0	114.3	K113	K113-S115 PolarHBondContact O-N 2.84Å
116	D	98.1	Very high	96.9	Very high	58 Å²	58	65.1 Å²	65.1	31%	0.31	36%	0.361	S	S	.	.			trans	-79.4	151.8	-176	-63.5	-18.4	0	0	0	110.4	Y112 K113 H288	Y112-D116 HydrophobicContact CD1-CB 4.46Å; Y112-D116 HydrophobicContact CD2-CB 3.91Å; Y112-D116 HydrophobicContact CE1-CB 4.17Å; Y112-D116 HydrophobicContact CE2-CB 3.53Å; Y112-D116 HydrophobicContact CG-CB 4.37Å; Y112-D116 PolarHBondContact OH-O 3.23Å; K113-D116 PolarHBondContact N-OD2 3.49Å; K113-D116 WeakPolarHBondContact O-CB 3.4Å; K113-D116 PolarHBondContact O-N 3.4Å; D116-H288 PolarHBondContact O-ND1 2.86Å
117	E	98.1	Very high	96.9	Very high	148 Å²	148	61.5 Å²	61.5	69%	0.692	34%	0.344	S	S	*	.			trans	-114.2	141.1	177.7	-68.3	-174.2	166.4	0	0	111	Y112	Y112-E117 WeakPolarHBondContact OH-CA 3.38Å; Y112-E117 PolarHBondContact OH-O 3.32Å
118	H	98.4	Very high	97.1	Very high	11 Å²	11	64 Å²	64	5%	0.051	35%	0.353	C	S	.	.			trans	-86.7	141.3	179.3	-178.4	62.1	0	0	0	110.1	Y112 P287 G290 T301 L354 F356	Y112-H118 WeakPolarHBondContact OH-CA 3.49Å; Y112-H118 PolarHBondContact OH-N 3.25Å; H118-P287 PolarHBondContact N-O 3.04Å; H118-G290 WeakPolarHBondContact CD2-CA 3.1Å; H118-T301 PolarHBondContact CE1-N 2.88Å; H118-T301 PolarHBondContact NE2-N 3.06Å; H118-L354 HydrophobicContact CB-CD1 4.02Å; H118-F356 PolarHBondContact CE1-O 3.24Å; H118-F356 VanDerWaalsContact CE1-O 3.25Å
119	K	96	Very high	97.3	Very high	146 Å²	146	62.7 Å²	62.7	64%	0.635	36%	0.356	S	S	*	.			trans	-113.6	132	176.6	-60.2	176.8	-173.1	171.2	0	109.2	S357	K119-S357 VanDerWaalsContact O-CA 3.31Å; K119-S357 WeakPolarHBondContact O-CA 3.38Å
120	T	97.9	Very high	97.4	Very high	55 Å²	55	62.3 Å²	62.3	34%	0.337	35%	0.354	S	S	.	.			trans	-107.4	132.5	174.1	-62.4	0	0	0	0	108.8	L122 Y291 E358	T120-L122 HydrophobicContact CG2-CD1 4.35Å; T120-L122 HydrophobicContact CG2-CG 4.26Å; T120-Y291 HydrophobicContact CG2-CE2 4.12Å; T120-E358 WeakPolarHBondContact CA-OE2 3.48Å
121	D	98.3	Very high	97.8	Very high	41 Å²	41	63.7 Å²	63.7	22%	0.219	35%	0.347	C	S	.	.			trans	-142.5	95.8	173.7	-174.2	1.4	0	0	0	109.6	N123 N126 E358 V359	D121-N123 VanDerWaalsContact OD1-CB 3.31Å; D121-N123 WeakPolarHBondContact OD1-CB 3.43Å; D121-N123 PolarHBondContact OD1-N 2.97Å; D121-N126 PolarHBondContact OD1-ND2 3.25Å; D121-N126 PolarHBondContact OD2-ND2 2.92Å; D121-E358 PolarHBondContact N-OE2 3.15Å; D121-E358 WeakPolarHBondContact O-CB 3.17Å; D121-V359 HydrophobicContact CB-CB 4.36Å; D121-V359 HydrophobicContact CB-CG2 4.21Å; D121-V359 WeakPolarHBondContact O-CG2 3.34Å; D121-V359 PolarHBondContact O-N 3.01Å
122	L	97.4	Very high	97.9	Very high	30 Å²	30	66.6 Å²	66.6	16%	0.157	35%	0.354	C	S	.	.			trans	-98.8	26	175.4	-69.6	170.2	0	0	0	111.8	T120 P124 F265 C266 L269 E358	T120-L122 HydrophobicContact CG2-CD1 4.35Å; T120-L122 HydrophobicContact CG2-CG 4.26Å; L122-P124 VanDerWaalsContact O-CD 3.26Å; L122-P124 WeakPolarHBondContact O-CD 3.35Å; L122-F265 HydrophobicContact CD2-CE1 4.09Å; L122-C266 WeakPolarHBondContact O-CB 3.43Å; L122-C266 PolarHBondContact O-SG 2.96Å; L122-L269 HydrophobicContact CD2-CD1 4.3Å; L122-E358 HydrophobicContact CD2-CB 3.97Å; L122-E358 HydrophobicContact CD2-CG 3.63Å; L122-E358 HydrophobicContact CG-CG 4.37Å
123	N	98.3	Very high	98	Very high	65 Å²	65	66 Å²	66	35%	0.348	35%	0.352	S	S	.	.			trans	-91	104	172.6	-176.8	11.1	0	0	0	110.9	D121 D125 N126 V359	D121-N123 VanDerWaalsContact OD1-CB 3.31Å; D121-N123 WeakPolarHBondContact OD1-CB 3.43Å; D121-N123 PolarHBondContact OD1-N 2.97Å; N123-D125 PolarHBondContact O-N 3.45Å; N123-D125 VanDerWaalsContact O-N 3.14Å; N123-D125 WeakPolarHBondContact OD1-CB 3.37Å; N123-D125 PolarHBondContact OD1-N 3.01Å; N123-N126 PolarHBondContact ND2-OD1 3.41Å; N123-N126 WeakPolarHBondContact O-CB 3.31Å; N123-N126 PolarHBondContact O-N 2.93Å; N123-N126 VanDerWaalsContact O-N 3.16Å; N123-V359 VanDerWaalsContact O-CG2 3.27Å; N123-V359 WeakPolarHBondContact O-CG2 3.46Å
124	P	97.7	Very high	98	Very high	18 Å²	18	62.7 Å²	62.7	12%	0.117	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-66.4	-17.5	-177.5	29.7	-36.4	0	0	0	113.7	L122 N126 L127 F262 T263 C266	L122-P124 VanDerWaalsContact O-CD 3.26Å; L122-P124 WeakPolarHBondContact O-CD 3.35Å; P124-N126 PolarHBondContact O-N 2.85Å; P124-L127 WeakPolarHBondContact O-CB 3.46Å; P124-L127 PolarHBondContact O-N 2.85Å; P124-L127 VanDerWaalsContact O-N 3.14Å; P124-F262 HydrophobicContact CB-CD1 4.03Å; P124-F262 HydrophobicContact CB-CE1 4.31Å; P124-T263 HydrophobicContact CB-CG2 4.49Å; P124-T263 HydrophobicContact CG-CG2 4.19Å; P124-C266 HydrophobicContact CG-CB 4.28Å
125	D	98.2	Very high	98	Very high	119 Å²	119	63.8 Å²	63.8	64%	0.636	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-67.2	-22.5	177.2	-67	-19.9	0	0	0	112.4	N123 L127	N123-D125 PolarHBondContact O-N 3.45Å; N123-D125 VanDerWaalsContact O-N 3.14Å; N123-D125 WeakPolarHBondContact OD1-CB 3.37Å; N123-D125 PolarHBondContact OD1-N 3.01Å; D125-L127 VanDerWaalsContact C-N 3.26Å; D125-L127 PolarHBondContact O-N 3.42Å
126	N	98.6	Very high	97.9	Very high	73 Å²	73	64.6 Å²	64.6	39%	0.39	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-74.2	-16.6	176.4	-67	-15.2	0	0	0	112.5	D121 N123 P124 Q128 V359	D121-N126 PolarHBondContact OD1-ND2 3.25Å; D121-N126 PolarHBondContact OD2-ND2 2.92Å; N123-N126 PolarHBondContact ND2-OD1 3.41Å; N123-N126 WeakPolarHBondContact O-CB 3.31Å; N123-N126 PolarHBondContact O-N 2.93Å; N123-N126 VanDerWaalsContact O-N 3.16Å; P124-N126 PolarHBondContact O-N 2.85Å; N126-Q128 PolarHBondContact O-N 2.89Å; N126-Q128 PolarHBondContact O-NE2 2.84Å; N126-Q128 VanDerWaalsContact O-NE2 3.08Å; N126-V359 HydrophobicContact CB-CB 4.48Å; N126-V359 HydrophobicContact CB-CG1 3.79Å; N126-V359 HydrophobicContact CB-CG2 4.01Å
127	L	98.6	Very high	97.9	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.333	C	S	.	.			trans	-73.4	124.6	177.2	-174.8	70.3	0	0	0	111.5	P124 D125 K259 F262 V362 Q363 V366	P124-L127 WeakPolarHBondContact O-CB 3.46Å; P124-L127 PolarHBondContact O-N 2.85Å; P124-L127 VanDerWaalsContact O-N 3.14Å; D125-L127 VanDerWaalsContact C-N 3.26Å; D125-L127 PolarHBondContact O-N 3.42Å; L127-K259 HydrophobicContact CD2-CB 4.06Å; L127-K259 HydrophobicContact CD2-CG 4.2Å; L127-K259 PolarHBondContact O-NZ 3.39Å; L127-F262 HydrophobicContact CB-CD1 4.35Å; L127-F262 HydrophobicContact CD2-CB 4.35Å; L127-F262 HydrophobicContact CD2-CD1 3.99Å; L127-V362 HydrophobicContact CD1-CB 4.11Å; L127-V362 HydrophobicContact CD1-CG1 3.71Å; L127-V362 HydrophobicContact CD2-CG1 3.84Å; L127-V362 HydrophobicContact CG-CG1 4.46Å; L127-Q363 HydrophobicContact CD1-CB 4.17Å; L127-V366 HydrophobicContact CD1-CG2 4.43Å
128	Q	98.5	Very high	97.9	Very high	131 Å²	131	56 Å²	56	61%	0.612	30%	0.3	S	S	*	.			trans	-95.4	116.1	-179.3	-53.7	-57	-46.5	0	0	111	N126 Q363	N126-Q128 PolarHBondContact O-N 2.89Å; N126-Q128 PolarHBondContact O-NE2 2.84Å; N126-Q128 VanDerWaalsContact O-NE2 3.08Å; Q128-Q363 PolarHBondContact O-NE2 2.83Å; Q128-Q363 VanDerWaalsContact O-NE2 3.08Å; Q128-Q363 PolarHBondContact O-OE1 3.23Å
129	G	97.8	Very high	97.8	Very high	27 Å²	27	58.9 Å²	58.9	28%	0.278	32%	0.316	S	S	.	.			trans	63.9	-147.2	-175.9	0	0	0	0	0	113	D131 K259	G129-D131 VanDerWaalsContact C-N 3.28Å; G129-K259 WeakPolarHBondContact O-CD 3.38Å
130	G	97.4	Very high	97.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.29	C	S	.	.			trans	83.6	4.4	179.2	0	0	0	0	0	113.8	D132 N257 M258 K259	G130-D132 VanDerWaalsContact C-N 3.32Å; G130-N257 CarbonylContact O-C 3.53Å; G130-M258 WeakPolarHBondContact O-CA 3.4Å; G130-M258 WeakPolarHBondContact O-CB 3.27Å; G130-M258 PolarHBondContact O-N 3.04Å; G130-K259 PolarHBondContact O-N 2.91Å
131	D	98.2	Very high	97.9	Very high	96 Å²	96	50 Å²	50	51%	0.513	27%	0.274	S	S	.	.	S	Bend	trans	-86	-4.6	172.3	53.1	-34.7	0	0	0	113.4	G129 N257 K259	G129-D131 VanDerWaalsContact C-N 3.28Å; D131-N257 WeakPolarHBondContact CA-OD1 3.42Å; D131-K259 HydrophobicContact CB-CB 4.16Å
132	D	98.1	Very high	97.8	Very high	94 Å²	94	50.6 Å²	50.6	50%	0.503	27%	0.273	S	S	.	.			trans	-134.6	19	-163.3	67.1	-28.2	0	0	0	114.2	G130 D134 K370	G130-D132 VanDerWaalsContact C-N 3.32Å; D132-D134 PolarHBondContact O-N 3.09Å; D132-K370 WeakPolarHBondContact OD1-CE 3.35Å; D132-K370 IonicContact OD1-NZ 2.77Å; D132-K370 PolarHBondContact OD1-NZ 2.83Å; D132-K370 IonicContact OD2-NZ 3.04Å; D132-K370 PolarHBondContact OD2-NZ 2.85Å
133	L	98.5	Very high	97.9	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	27%	0.266	C	S	.	.			trans	-60.7	129.2	177.4	-53.4	174.5	0	0	0	109.7	P135 V138 G256 M258 V307 V366 V369 K370	L133-P135 WeakPolarHBondContact O-CD 3.09Å; L133-P135 VanDerWaalsContact O-N 3.09Å; L133-V138 HydrophobicContact CB-CB 4.45Å; L133-V138 HydrophobicContact CB-CG2 4.03Å; L133-G256 VanDerWaalsContact CB-O 3.28Å; L133-G256 WeakPolarHBondContact CB-O 3.02Å; L133-G256 VanDerWaalsContact CG-O 3.31Å; L133-G256 WeakPolarHBondContact CG-O 3.47Å; L133-G256 PolarHBondContact N-O 3.09Å; L133-G256 WeakPolarHBondContact O-CA 2.97Å; L133-M258 HydrophobicContact CD1-CB 4.07Å; L133-V307 HydrophobicContact CD1-CG1 4.13Å; L133-V366 HydrophobicContact CD2-CG1 4.47Å; L133-V369 HydrophobicContact CD1-CG1 4.11Å; L133-V369 HydrophobicContact CD2-CB 4.47Å; L133-V369 HydrophobicContact CD2-CG1 4.14Å; L133-K370 HydrophobicContact CD2-CD 4.39Å; L133-K370 HydrophobicContact CD2-CG 3.63Å
134	D	98.3	Very high	97.9	Very high	40 Å²	40	48.3 Å²	48.3	21%	0.214	26%	0.258	C	S	.	.			trans	-57.5	113.9	-168.3	-173.2	-20.7	0	0	0	111.7	D132 N136 Y137 V138 I373	D132-D134 PolarHBondContact O-N 3.09Å; D134-N136 PolarHBondContact O-N 3.46Å; D134-N136 VanDerWaalsContact O-N 3.17Å; D134-N136 VanDerWaalsContact OD1-CB 3.24Å; D134-N136 WeakPolarHBondContact OD1-CB 3.41Å; D134-N136 PolarHBondContact OD1-N 3.07Å; D134-N136 PolarHBondContact OD1-ND2 3.08Å; D134-Y137 HydrophobicContact CB-CD2 4.01Å; D134-Y137 PolarHBondContact O-N 3.23Å; D134-Y137 VanDerWaalsContact O-N 3.08Å; D134-Y137 WeakPolarHBondContact OD2-CE2 3.21Å; D134-V138 PolarHBondContact O-N 3.47Å; D134-I373 HydrophobicContact CB-CD1 4.19Å; D134-I373 HydrophobicContact CB-CG2 4.21Å
135	P	96.9	Very high	97.9	Very high	87 Å²	87	47.5 Å²	47.5	57%	0.565	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.5	-175.8	29.6	-35.9	0	0	0	113.6	L133 Y137	L133-P135 WeakPolarHBondContact O-CD 3.09Å; L133-P135 VanDerWaalsContact O-N 3.09Å; P135-Y137 PolarHBondContact O-N 2.72Å
136	N	97.3	Very high	97.9	Very high	114 Å²	114	41.8 Å²	41.8	61%	0.61	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-26.8	171.6	-62.5	-54	0	0	0	112.2	D134	D134-N136 PolarHBondContact O-N 3.46Å; D134-N136 VanDerWaalsContact O-N 3.17Å; D134-N136 VanDerWaalsContact OD1-CB 3.24Å; D134-N136 WeakPolarHBondContact OD1-CB 3.41Å; D134-N136 PolarHBondContact OD1-N 3.07Å; D134-N136 PolarHBondContact OD1-ND2 3.08Å
137	Y	98.1	Very high	97.9	Very high	24 Å²	24	38.4 Å²	38.4	9%	0.094	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-46.9	179.2	-60	-91.7	0	0	0	111.1	D134 P135 L139 I309 K310 I373 E376 Q377 E380	D134-Y137 HydrophobicContact CB-CD2 4.01Å; D134-Y137 PolarHBondContact O-N 3.23Å; D134-Y137 VanDerWaalsContact O-N 3.08Å; D134-Y137 WeakPolarHBondContact OD2-CE2 3.21Å; P135-Y137 PolarHBondContact O-N 2.72Å; Y137-L139 PolarHBondContact O-N 3.13Å; Y137-I309 CarbonylContact O-C 3.6Å; Y137-I309 WeakPolarHBondContact O-CA 3.33Å; Y137-K310 PolarHBondContact O-N 2.87Å; Y137-I373 HydrophobicContact CD2-CG2 3.73Å; Y137-I373 HydrophobicContact CE2-CG2 4.04Å; Y137-I373 HydrophobicContact CG-CG1 4.35Å; Y137-I373 HydrophobicContact CG-CG2 4.11Å; Y137-E376 HydrophobicContact CD1-CB 4.44Å; Y137-E376 HydrophobicContact CD1-CG 3.97Å; Y137-E376 HydrophobicContact CE1-CB 4.19Å; Y137-E376 HydrophobicContact CE1-CG 3.62Å; Y137-Q377 HydrophobicContact CE2-CG 4.05Å; Y137-Q377 VanDerWaalsContact OH-CG 3.23Å; Y137-Q377 WeakPolarHBondContact OH-CG 3.46Å; Y137-E380 WeakPolarHBondContact CE1-OE1 3.16Å; Y137-E380 PolarHBondContact OH-OE1 3.23Å; Y137-E380 PolarHBondContact OH-OE2 3.05Å
138	V	98.1	Very high	97.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	107.5	-177.9	178.2	0	0	0	0	111.2	L133 D134 V307 H308 I309 V369 I373	L133-V138 HydrophobicContact CB-CB 4.45Å; L133-V138 HydrophobicContact CB-CG2 4.03Å; D134-V138 PolarHBondContact O-N 3.47Å; V138-V307 HydrophobicContact CG1-CB 3.93Å; V138-V307 HydrophobicContact CG1-CG1 3.81Å; V138-H308 CarbonylContact C-O 3.52Å; V138-I309 HydrophobicContact CG2-CD1 4.26Å; V138-I309 HydrophobicContact CG2-CG1 4.29Å; V138-V369 HydrophobicContact CG2-CG1 3.91Å; V138-I373 HydrophobicContact CG2-CD1 3.99Å
139	L	96.1	Very high	98	Very high	71 Å²	71	32.2 Å²	32.2	37%	0.372	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-34.5	-178.3	-57.4	-180	0	0	0	112.8	Y137 G255 H308 K310 V345	Y137-L139 PolarHBondContact O-N 3.13Å; L139-G255 PolarHBondContact O-N 3.25Å; L139-H308 HydrophobicContact CB-CB 4.17Å; L139-H308 PolarHBondContact N-O 3.15Å; L139-K310 HydrophobicContact CD1-CG 4.22Å; L139-K310 HydrophobicContact CD2-CD 3.93Å; L139-K310 HydrophobicContact CD2-CG 4.37Å; L139-K310 HydrophobicContact CG-CD 4.43Å; L139-K310 HydrophobicContact CG-CG 4.33Å; L139-V345 HydrophobicContact CD1-CG1 3.92Å; L139-V345 HydrophobicContact CD1-CG2 4.05Å
140	S	96.2	Very high	98	Very high	14 Å²	14	34.5 Å²	34.5	10%	0.098	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	150	178.9	56.1	0	0	0	0	111.3	Q253 G255 V307 H308	S140-Q253 VanDerWaalsContact CA-O 3.3Å; S140-Q253 WeakPolarHBondContact CA-O 3.19Å; S140-Q253 VanDerWaalsContact CB-O 3.31Å; S140-Q253 WeakPolarHBondContact CB-O 3.5Å; S140-G255 CarbonylContact C-O 3.56Å; S140-V307 CarbonylContact O-C 3.49Å; S140-V307 VanDerWaalsContact O-CA 3.23Å; S140-V307 WeakPolarHBondContact O-CA 3.29Å; S140-H308 PolarHBondContact O-N 2.85Å
141	S	98.1	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.7	176.7	-61	0	0	0	0	109.8	M252 Q253 G255	S141-M252 VanDerWaalsContact O-CA 3.28Å; S141-M252 WeakPolarHBondContact O-CA 3.29Å; S141-Q253 PolarHBondContact N-O 2.99Å; S141-Q253 PolarHBondContact O-N 3.17Å; S141-G255 PolarHBondContact N-O 3.46Å; S141-G255 PolarHBondContact OG-O 2.79Å
142	R	98.1	Very high	98.1	Very high	55 Å²	55	34.8 Å²	34.8	21%	0.208	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	137.4	-175.8	176.5	165.9	-176.9	-112.4	2.1	112.1	I250 S251 M252 A305 G306	R142-I250 HydrophobicContact CG-CG2 4.19Å; R142-I250 VanDerWaalsContact NH2-CG1 3.35Å; R142-S251 CarbonylContact C-O 3.58Å; R142-S251 WeakPolarHBondContact CA-O 2.86Å; R142-M252 HydrophobicContact CB-CB 3.88Å; R142-M252 HydrophobicContact CG-CB 3.92Å; R142-A305 CarbonylContact O-C 3.58Å; R142-A305 WeakPolarHBondContact O-CA 3.49Å; R142-G306 PolarHBondContact N-O 2.89Å; R142-G306 PolarHBondContact O-N 2.74Å
143	V	98.6	Very high	98.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.5	169.6	-176.1	0	0	0	0	108.5	I250 S251 M258 V261 F262 F265 L303 A305	V143-I250 CarbonylContact O-C 3.58Å; V143-I250 WeakPolarHBondContact O-CA 3.28Å; V143-S251 PolarHBondContact N-O 3.11Å; V143-S251 PolarHBondContact O-N 3.2Å; V143-S251 VanDerWaalsContact O-O 3.13Å; V143-M258 HydrophobicContact CG2-SD 3.63Å; V143-V261 HydrophobicContact CB-CG1 4.2Å; V143-V261 HydrophobicContact CG2-CG1 3.83Å; V143-F262 HydrophobicContact CG1-CD2 4.28Å; V143-F262 HydrophobicContact CG2-CB 4.48Å; V143-F262 HydrophobicContact CG2-CD2 4.39Å; V143-F265 HydrophobicContact CB-CB 4.39Å; V143-F265 HydrophobicContact CB-CD2 4.18Å; V143-F265 HydrophobicContact CB-CG 4.16Å; V143-F265 HydrophobicContact CG1-CB 4.42Å; V143-F265 HydrophobicContact CG1-CD1 3.77Å; V143-F265 HydrophobicContact CG1-CD2 3.82Å; V143-F265 HydrophobicContact CG1-CE1 3.82Å; V143-F265 HydrophobicContact CG1-CE2 3.88Å; V143-F265 HydrophobicContact CG1-CG 3.75Å; V143-F265 HydrophobicContact CG1-CZ 3.85Å; V143-L303 HydrophobicContact CG1-CD1 3.78Å; V143-L303 HydrophobicContact CG1-CD2 4.45Å; V143-L303 HydrophobicContact CG1-CG 3.97Å; V143-A305 HydrophobicContact CG1-CB 4.48Å; V143-A305 HydrophobicContact CG2-CB 3.98Å
144	R	97.8	Very high	98.1	Very high	47 Å²	47	30.7 Å²	30.7	18%	0.177	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.4	176.5	75.9	-159	-124.7	178.5	14.8	111.6	V249 I250 L303 R304	R144-V249 CarbonylContact C-O 3.53Å; R144-V249 VanDerWaalsContact CA-O 3.22Å; R144-V249 WeakPolarHBondContact CA-O 3.18Å; R144-I250 HydrophobicContact CB-CG1 3.88Å; R144-L303 CarbonylContact O-C 3.55Å; R144-L303 VanDerWaalsContact O-CA 3.28Å; R144-L303 WeakPolarHBondContact O-CA 3.43Å; R144-R304 HydrophobicContact CG-CB 3.85Å; R144-R304 PolarHBondContact N-O 3.03Å; R144-R304 VanDerWaalsContact N-O 3.07Å; R144-R304 PolarHBondContact O-N 3.42Å
145	T	98.6	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	172.8	165.9	-168.1	0	0	0	0	111.4	R147 R248 V249 F265 L269 T301 G302	T145-R147 VanDerWaalsContact CG2-NH1 3.32Å; T145-R147 PolarHBondContact OG1-NH1 2.89Å; T145-R248 CarbonylContact O-C 3.56Å; T145-R248 VanDerWaalsContact O-CA 3.31Å; T145-R248 WeakPolarHBondContact O-CA 3.28Å; T145-V249 HydrophobicContact CG2-CB 4.44Å; T145-V249 PolarHBondContact N-O 3.4Å; T145-V249 PolarHBondContact O-N 3.15Å; T145-F265 HydrophobicContact CG2-CE2 3.79Å; T145-F265 HydrophobicContact CG2-CZ 3.48Å; T145-F265 VanDerWaalsContact CG2-CZ 3.48Å; T145-L269 HydrophobicContact CG2-CD1 3.81Å; T145-L269 HydrophobicContact CG2-CD2 4.14Å; T145-T301 PolarHBondContact OG1-O 3.17Å; T145-G302 WeakPolarHBondContact CA-O 3.5Å; T145-G302 VanDerWaalsContact OG1-C 3.26Å; T145-G302 WeakPolarHBondContact OG1-CA 3.47Å; T145-G302 PolarHBondContact OG1-O 2.73Å
146	G	98.4	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	155.8	164.2	0	0	0	0	0	111.9	L247 L293	G146-L247 CarbonylContact C-O 3.45Å; G146-L247 WeakPolarHBondContact CA-O 3.23Å; G146-L293 VanDerWaalsContact C-CD2 3.4Å
147	R	98.8	Very high	98.3	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.6	165.4	-66	-66.6	-179.1	-101.5	8.9	110	T145 L247 L269 F283 Y291 T301 E358	T145-R147 VanDerWaalsContact CG2-NH1 3.32Å; T145-R147 PolarHBondContact OG1-NH1 2.89Å; R147-L247 HydrophobicContact CB-CB 4.37Å; R147-L247 PolarHBondContact N-O 3.03Å; R147-L247 PolarHBondContact O-N 2.91Å; R147-L269 HydrophobicContact CG-CD2 4.1Å; R147-F283 HydrophobicContact CB-CD1 3.71Å; R147-F283 HydrophobicContact CB-CD2 4.45Å; R147-F283 HydrophobicContact CB-CE1 3.51Å; R147-F283 HydrophobicContact CB-CE2 4.27Å; R147-F283 HydrophobicContact CB-CG 4.18Å; R147-F283 HydrophobicContact CB-CZ 3.81Å; R147-F283 HydrophobicContact CG-CD1 4.29Å; R147-F283 HydrophobicContact CG-CD2 4.14Å; R147-F283 HydrophobicContact CG-CE1 4.03Å; R147-F283 HydrophobicContact CG-CE2 3.86Å; R147-F283 HydrophobicContact CG-CG 4.34Å; R147-F283 HydrophobicContact CG-CZ 3.8Å; R147-Y291 VanDerWaalsContact CZ-CD2 3.45Å; R147-Y291 VanDerWaalsContact CZ-CE2 3.42Å; R147-T301 PolarHBondContact NH1-O 3.46Å; R147-E358 IonicContact NH2-OE1 3.8Å
148	S	98.9	Very high	98.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	12%	0.117	C	C	.	.			trans	-107.5	141.9	171.5	-54.1	0	0	0	0	109.6	L154 F283 M284 I292 L293	S148-L154 VanDerWaalsContact OG-CD2 3.29Å; S148-L154 WeakPolarHBondContact OG-CD2 3.33Å; S148-F283 CarbonylContact O-C 3.52Å; S148-F283 WeakPolarHBondContact O-CA 3.43Å; S148-F283 WeakPolarHBondContact O-CD1 3.47Å; S148-M284 WeakPolarHBondContact CB-SD 3.12Å; S148-M284 PolarHBondContact O-N 3.05Å; S148-I292 VanDerWaalsContact CB-O 3.23Å; S148-I292 WeakPolarHBondContact CB-O 3.45Å; S148-I292 PolarHBondContact OG-O 2.95Å; S148-L293 WeakPolarHBondContact OG-CD2 3.48Å
149	I	98.8	Very high	98.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-96.3	121.3	-179.2	-59.8	152.2	0	0	0	107.8	F152 I166 L169 H246 F276 Y281 F283 M284	I149-F152 HydrophobicContact CB-CD2 4.11Å; I149-F152 HydrophobicContact CG2-CD2 3.78Å; I149-F152 HydrophobicContact CG2-CE2 3.83Å; I149-I166 HydrophobicContact CD1-CB 4.46Å; I149-I166 HydrophobicContact CD1-CG1 4.32Å; I149-I166 HydrophobicContact CD1-CG2 3.87Å; I149-L169 HydrophobicContact CD1-CD2 4.26Å; I149-L169 HydrophobicContact CG2-CD2 4.08Å; I149-H246 HydrophobicContact CD1-CB 4.39Å; I149-H246 PolarHBondContact N-ND1 3.28Å; I149-F276 HydrophobicContact CD1-CZ 4.45Å; I149-Y281 HydrophobicContact CG2-CD1 3.94Å; I149-Y281 HydrophobicContact CG2-CG 4.41Å; I149-F283 HydrophobicContact CG1-CD1 4.49Å; I149-F283 HydrophobicContact CG1-CE1 4.46Å; I149-M284 WeakPolarHBondContact O-CE 3.22Å
150	R	98.8	Very high	98.5	Very high	76 Å²	76	27.1 Å²	27.1	29%	0.287	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	142.7	-176.9	178.4	170.5	-73.4	157.9	1.1	111.5	E91 E282 M284 W285	E91-R150 IonicContact OE1-CZ 2.64Å; E91-R150 IonicContact OE1-NE 3.03Å; E91-R150 PolarHBondContact OE1-NE 2.8Å; E91-R150 IonicContact OE1-NH2 2.74Å; E91-R150 PolarHBondContact OE1-NH2 3.29Å; E91-R150 WeakPolarHBondContact OE2-CG 3.3Å; E91-R150 IonicContact OE2-CZ 3.61Å; E91-R150 IonicContact OE2-NE 3.81Å; E91-R150 PolarHBondContact OE2-NE 3.23Å; E91-R150 IonicContact OE2-NH2 3.31Å; R150-E282 HydrophobicContact CB-CG 3.94Å; R150-E282 WeakPolarHBondContact CB-O 3.41Å; R150-E282 WeakPolarHBondContact CD-OE1 3.43Å; R150-E282 HydrophobicContact CG-CG 4.47Å; R150-E282 IonicContact CZ-OE1 2.96Å; R150-E282 PolarHBondContact N-O 3.05Å; R150-E282 IonicContact NE-OE1 3.25Å; R150-E282 IonicContact NH1-OE1 3.89Å; R150-E282 PolarHBondContact NH1-OE1 2.96Å; R150-E282 IonicContact NH1-OE2 3.74Å; R150-M284 HydrophobicContact CB-CG 4Å; R150-W285 PolarHBondContact NH2-O 3.38Å
151	G	98	Very high	98.6	Very high	72 Å²	72	28.8 Å²	28.8	74%	0.742	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	88	3.4	179.8	0	0	0	0	0	115.2
152	F	98.8	Very high	98.6	Very high	29 Å²	29	30.9 Å²	30.9	13%	0.127	17%	0.171	C	C	.	.	S	Bend	trans	-119.3	143.1	169.7	-60.7	-80.9	0	0	0	110	I149 E162 A165 I166 Y281 M284	I149-F152 HydrophobicContact CB-CD2 4.11Å; I149-F152 HydrophobicContact CG2-CD2 3.78Å; I149-F152 HydrophobicContact CG2-CE2 3.83Å; F152-E162 HydrophobicContact CD1-CB 3.99Å; F152-E162 HydrophobicContact CD1-CG 4.1Å; F152-A165 HydrophobicContact CE1-CB 3.6Å; F152-A165 HydrophobicContact CZ-CB 4.04Å; F152-I166 HydrophobicContact CB-CD1 3.82Å; F152-I166 HydrophobicContact CB-CG1 4.15Å; F152-I166 HydrophobicContact CD1-CD1 4.5Å; F152-I166 HydrophobicContact CD1-CG1 4.22Å; F152-I166 HydrophobicContact CD2-CG1 3.99Å; F152-I166 HydrophobicContact CE2-CG1 4.45Å; F152-I166 HydrophobicContact CG-CD1 4.08Å; F152-I166 HydrophobicContact CG-CG1 3.86Å; F152-Y281 AromaticContact CE2-CD1 3.98Å; F152-Y281 HydrophobicContact CE2-CD1 3.98Å; F152-Y281 AromaticContact CE2-CE1 3.62Å; F152-Y281 HydrophobicContact CE2-CE1 3.62Å; F152-Y281 AromaticContact CZ-CE1 3.83Å; F152-Y281 HydrophobicContact CZ-CE1 3.83Å; F152-M284 WeakPolarHBondContact O-CE 3.32Å
153	C	98.9	Very high	98.7	Very high	12 Å²	12	28.3 Å²	28.3	8%	0.081	16%	0.161	C	C	.	.			trans	-63.8	149.8	171.2	-57.3	0	0	0	0	110.9	S61 G89 H157 C158 E162 H246	S61-C153 WeakPolarHBondContact CB-SG 3.31Å; G89-C153 CarbonylContact O-C 3.43Å; G89-C153 WeakPolarHBondContact O-CA 3.5Å; G89-C153 WeakPolarHBondContact O-CB 3.43Å; C153-H157 HydrophobicContact CB-CB 4.24Å; C153-C158 HydrophobicContact CB-CB 4.35Å; C153-C158 WeakPolarHBondContact O-CB 3.36Å; C153-E162 WeakPolarHBondContact CB-OE1 3.27Å; C153-E162 PolarHBondContact N-OE1 2.82Å; C153-E162 PolarHBondContact SG-OE1 3.04Å; C153-H246 PolarHBondContact O-NE2 2.73Å
154	L	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.			trans	-70.8	163.8	176.6	-61.8	175.1	0	0	0	111.3	A88 G89 S148 P156 H157 C158 M284	A88-L154 HydrophobicContact CB-CD1 3.73Å; G89-L154 PolarHBondContact O-N 3.07Å; S148-L154 VanDerWaalsContact OG-CD2 3.29Å; S148-L154 WeakPolarHBondContact OG-CD2 3.33Å; L154-P156 VanDerWaalsContact C-N 3.33Å; L154-P156 WeakPolarHBondContact O-CD 3.42Å; L154-P156 VanDerWaalsContact O-N 3.11Å; L154-H157 PolarHBondContact O-N 2.8Å; L154-C158 PolarHBondContact O-N 2.79Å; L154-M284 HydrophobicContact CD2-CE 4.08Å; L154-M284 HydrophobicContact CD2-SD 3.9Å
155	P	98.8	Very high	98.7	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.019	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-36.2	-174.8	-30.6	38.5	0	0	0	117.2	H157 M219 R221 T294	P155-H157 PolarHBondContact O-N 3.02Å; P155-M219 HydrophobicContact CB-CB 4.38Å; P155-M219 HydrophobicContact CB-CE 4.17Å; P155-M219 HydrophobicContact CB-CG 4.15Å; P155-R221 PolarHBondContact O-NH2 3Å; P155-T294 WeakPolarHBondContact CD-OG1 3.31Å
156	P	98.7	Very high	98.7	Very high	9 Å²	9	33.6 Å²	33.6	6%	0.058	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-35.9	175.6	-29.2	38.2	0	0	0	113.1	F63 V87 L154 S217 M219 R221 T294	F63-P156 HydrophobicContact CE2-CB 4.26Å; F63-P156 HydrophobicContact CZ-CB 4.2Å; V87-P156 HydrophobicContact CB-CG 4.1Å; V87-P156 HydrophobicContact CG2-CB 4.15Å; V87-P156 HydrophobicContact CG2-CG 3.87Å; L154-P156 VanDerWaalsContact C-N 3.33Å; L154-P156 WeakPolarHBondContact O-CD 3.42Å; L154-P156 VanDerWaalsContact O-N 3.11Å; P156-S217 WeakPolarHBondContact CA-O 3.31Å; P156-S217 VanDerWaalsContact CB-O 3.32Å; P156-S217 WeakPolarHBondContact CB-O 3.33Å; P156-M219 HydrophobicContact CB-CG 4.31Å; P156-M219 HydrophobicContact CG-CG 3.74Å; P156-M219 HydrophobicContact CG-SD 4.1Å; P156-R221 VanDerWaalsContact C-NH2 3.29Å; P156-R221 PolarHBondContact O-NH2 2.98Å; P156-T294 VanDerWaalsContact CD-CG2 3.44Å; P156-T294 HydrophobicContact CG-CG2 3.37Å
157	H	98.7	Very high	98.8	Very high	58 Å²	58	34.8 Å²	34.8	27%	0.269	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-20.1	-169.1	-162.7	43.9	0	0	0	114.8	S61 F63 C153 L154 P155 S159 R221	S61-H157 PolarHBondContact O-NE2 2.97Å; S61-H157 PolarHBondContact OG-CD2 3.5Å; S61-H157 PolarHBondContact OG-NE2 3.43Å; F63-H157 HydrophobicContact CD2-CB 3.59Å; F63-H157 AromaticContact CD2-CD2 3.86Å; F63-H157 AromaticContact CD2-CG 3.46Å; F63-H157 VanDerWaalsContact CD2-CG 3.46Å; F63-H157 AromaticContact CD2-ND1 3.71Å; F63-H157 HydrophobicContact CE2-CB 3.77Å; C153-H157 HydrophobicContact CB-CB 4.24Å; L154-H157 PolarHBondContact O-N 2.8Å; P155-H157 PolarHBondContact O-N 3.02Å; H157-S159 PolarHBondContact O-N 3.24Å; H157-R221 VanDerWaalsContact C-NH2 3.32Å
158	C	98.7	Very high	98.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	23%	0.226	C	C	.	.			trans	-51.7	135.3	-176.8	70.9	0	0	0	0	112.8	C153 L154 E162 R163 R221	C153-C158 HydrophobicContact CB-CB 4.35Å; C153-C158 WeakPolarHBondContact O-CB 3.36Å; L154-C158 PolarHBondContact O-N 2.79Å; C158-E162 HydrophobicContact CB-CB 4.33Å; C158-R163 PolarHBondContact O-NH2 2.89Å; C158-R163 PolarHBondContact SG-NE 3.38Å; C158-R163 VanDerWaalsContact SG-NE 3.44Å; C158-R163 PolarHBondContact SG-NH2 2.83Å; C158-R163 VanDerWaalsContact SG-NH2 3.37Å; C158-R221 PolarHBondContact O-NH1 3.17Å; C158-R221 PolarHBondContact O-NH2 3.21Å
159	S	98.8	Very high	98.7	Very high	53 Å²	53	42.6 Å²	42.6	37%	0.371	23%	0.229	S	C	.	.			trans	-72.3	163.3	169.9	66.1	0	0	0	0	110.9	H157 G161 E162 R163	H157-S159 PolarHBondContact O-N 3.24Å; S159-G161 PolarHBondContact O-N 3.49Å; S159-G161 PolarHBondContact OG-N 3.46Å; S159-E162 WeakPolarHBondContact CB-OE2 3.37Å; S159-E162 PolarHBondContact N-OE2 3.07Å; S159-E162 PolarHBondContact O-N 3.45Å; S159-E162 WeakPolarHBondContact OG-CG 3.23Å; S159-E162 PolarHBondContact OG-N 2.89Å; S159-E162 VanDerWaalsContact OG-N 3.17Å; S159-E162 PolarHBondContact OG-OE2 2.82Å; S159-R163 WeakPolarHBondContact O-CB 3.31Å; S159-R163 PolarHBondContact O-N 2.77Å
160	R	98.8	Very high	98.7	Very high	139 Å²	139	42.6 Å²	42.6	53%	0.525	23%	0.229	S	C	.	.	H	α-helix	trans	-54.4	-35.6	169.7	-72.4	-175.5	-71.1	-87.4	0.1	112	R164 D222	R160-R164 WeakPolarHBondContact O-CB 3.28Å; R160-R164 VanDerWaalsContact O-CD 3.25Å; R160-R164 WeakPolarHBondContact O-CD 3.31Å; R160-R164 WeakPolarHBondContact O-CG 3.28Å; R160-R164 PolarHBondContact O-N 2.96Å; R160-R164 VanDerWaalsContact O-N 3.11Å; R160-D222 WeakPolarHBondContact CD-OD1 3.18Å; R160-D222 HydrophobicContact CG-CB 4.04Å; R160-D222 VanDerWaalsContact CG-CG 3.41Å; R160-D222 WeakPolarHBondContact CG-OD2 3.39Å; R160-D222 IonicContact CZ-OD1 3.7Å; R160-D222 IonicContact NE-OD1 3.94Å; R160-D222 IonicContact NH1-OD1 2.72Å; R160-D222 PolarHBondContact NH1-OD1 2.88Å
161	G	98.8	Very high	98.7	Very high	48 Å²	48	41 Å²	41	50%	0.495	23%	0.228	S	C	.	.	H	α-helix	trans	-66	-50.4	179.7	0	0	0	0	0	112.6	S159 R164 A165	S159-G161 PolarHBondContact O-N 3.49Å; S159-G161 PolarHBondContact OG-N 3.46Å; G161-R164 PolarHBondContact O-N 2.79Å; G161-A165 PolarHBondContact O-N 2.89Å
162	E	98.8	Very high	98.6	Very high	45 Å²	45	42 Å²	42	21%	0.21	21%	0.213	C	C	.	.	H	α-helix	trans	-61.4	-45.7	176.9	-69.9	166.4	104.9	0	0	111.5	F152 C153 C158 S159 R164 A165 I166	F152-E162 HydrophobicContact CD1-CB 3.99Å; F152-E162 HydrophobicContact CD1-CG 4.1Å; C153-E162 WeakPolarHBondContact CB-OE1 3.27Å; C153-E162 PolarHBondContact N-OE1 2.82Å; C153-E162 PolarHBondContact SG-OE1 3.04Å; C158-E162 HydrophobicContact CB-CB 4.33Å; S159-E162 WeakPolarHBondContact CB-OE2 3.37Å; S159-E162 PolarHBondContact N-OE2 3.07Å; S159-E162 PolarHBondContact O-N 3.45Å; S159-E162 WeakPolarHBondContact OG-CG 3.23Å; S159-E162 PolarHBondContact OG-N 2.89Å; S159-E162 VanDerWaalsContact OG-N 3.17Å; S159-E162 PolarHBondContact OG-OE2 2.82Å; E162-R164 VanDerWaalsContact C-N 3.32Å; E162-R164 PolarHBondContact O-N 2.98Å; E162-A165 WeakPolarHBondContact O-CB 3.42Å; E162-A165 PolarHBondContact O-N 3.07Å; E162-I166 WeakPolarHBondContact O-CG1 3.44Å; E162-I166 PolarHBondContact O-N 2.62Å
163	R	98.9	Very high	98.6	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-58.1	-43.5	178.9	-163.8	-175.5	-63.2	129.7	3.1	112.6	C158 S159 I166 E167 R221 D222 D225 A226 N242	C158-R163 PolarHBondContact O-NH2 2.89Å; C158-R163 PolarHBondContact SG-NE 3.38Å; C158-R163 VanDerWaalsContact SG-NE 3.44Å; C158-R163 PolarHBondContact SG-NH2 2.83Å; C158-R163 VanDerWaalsContact SG-NH2 3.37Å; S159-R163 WeakPolarHBondContact O-CB 3.31Å; S159-R163 PolarHBondContact O-N 2.77Å; R163-I166 PolarHBondContact O-N 2.85Å; R163-E167 PolarHBondContact O-N 2.96Å; R163-R221 PolarHBondContact NH1-O 3.27Å; R163-D222 IonicContact CZ-OD2 3.75Å; R163-D222 IonicContact NH1-OD2 2.89Å; R163-D222 PolarHBondContact NH1-OD2 3.41Å; R163-D222 IonicContact NH2-OD2 2.68Å; R163-D225 WeakPolarHBondContact CD-O 3.22Å; R163-A226 HydrophobicContact CB-CB 4.33Å; R163-A226 HydrophobicContact CG-CB 3.86Å; R163-N242 HydrophobicContact CG-CB 3.85Å; R163-N242 VanDerWaalsContact CG-CG 3.5Å; R163-N242 WeakPolarHBondContact CG-ND2 3.3Å; R163-N242 PolarHBondContact O-ND2 2.79Å
164	R	98.9	Very high	98.5	Very high	120 Å²	120	40.2 Å²	40.2	45%	0.453	20%	0.204	S	C	.	.	H	α-helix	trans	-67.5	-34.9	175.1	-71	164.8	-175.3	-178.8	-5.7	112.6	R160 G161 E162 E167 K168 D225 A226	R160-R164 WeakPolarHBondContact O-CB 3.28Å; R160-R164 VanDerWaalsContact O-CD 3.25Å; R160-R164 WeakPolarHBondContact O-CD 3.31Å; R160-R164 WeakPolarHBondContact O-CG 3.28Å; R160-R164 PolarHBondContact O-N 2.96Å; R160-R164 VanDerWaalsContact O-N 3.11Å; G161-R164 PolarHBondContact O-N 2.79Å; E162-R164 VanDerWaalsContact C-N 3.32Å; E162-R164 PolarHBondContact O-N 2.98Å; R164-E167 PolarHBondContact O-N 3.02Å; R164-K168 WeakPolarHBondContact O-CB 3.35Å; R164-K168 PolarHBondContact O-N 2.93Å; R164-D225 IonicContact CZ-OD1 3.56Å; R164-D225 IonicContact CZ-OD2 3.41Å; R164-D225 IonicContact NE-OD1 2.86Å; R164-D225 PolarHBondContact NE-OD1 3.25Å; R164-D225 IonicContact NE-OD2 3.25Å; R164-D225 PolarHBondContact NE-OD2 3.34Å; R164-D225 IonicContact NH2-OD1 3.45Å; R164-D225 PolarHBondContact NH2-OD1 3.37Å; R164-D225 IonicContact NH2-OD2 2.73Å; R164-D225 PolarHBondContact NH2-OD2 3.4Å; R164-A226 HydrophobicContact CB-CB 4.38Å; R164-A226 HydrophobicContact CG-CB 3.74Å
165	A	98.8	Very high	98.5	Very high	38 Å²	38	43.9 Å²	43.9	31%	0.314	23%	0.23	S	C	.	.	H	α-helix	trans	-65.8	-42.9	175.4	0	0	0	0	0	111.3	F152 G161 E162 K168 L169	F152-A165 HydrophobicContact CE1-CB 3.6Å; F152-A165 HydrophobicContact CZ-CB 4.04Å; G161-A165 PolarHBondContact O-N 2.89Å; E162-A165 WeakPolarHBondContact O-CB 3.42Å; E162-A165 PolarHBondContact O-N 3.07Å; A165-K168 PolarHBondContact O-N 2.89Å; A165-L169 WeakPolarHBondContact O-CB 3.49Å; A165-L169 PolarHBondContact O-N 3.35Å
166	I	98.8	Very high	98.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.1	-49.6	172.2	-69.9	157.6	0	0	0	110.8	I149 F152 E162 R163 K168 L169 A170 N242 H246	I149-I166 HydrophobicContact CD1-CB 4.46Å; I149-I166 HydrophobicContact CD1-CG1 4.32Å; I149-I166 HydrophobicContact CD1-CG2 3.87Å; F152-I166 HydrophobicContact CB-CD1 3.82Å; F152-I166 HydrophobicContact CB-CG1 4.15Å; F152-I166 HydrophobicContact CD1-CD1 4.5Å; F152-I166 HydrophobicContact CD1-CG1 4.22Å; F152-I166 HydrophobicContact CD2-CG1 3.99Å; F152-I166 HydrophobicContact CE2-CG1 4.45Å; F152-I166 HydrophobicContact CG-CD1 4.08Å; F152-I166 HydrophobicContact CG-CG1 3.86Å; E162-I166 WeakPolarHBondContact O-CG1 3.44Å; E162-I166 PolarHBondContact O-N 2.62Å; R163-I166 PolarHBondContact O-N 2.85Å; I166-K168 PolarHBondContact O-N 3.36Å; I166-L169 PolarHBondContact O-N 3Å; I166-A170 VanDerWaalsContact O-CB 3.3Å; I166-A170 WeakPolarHBondContact O-CB 3.44Å; I166-A170 PolarHBondContact O-N 3.46Å; I166-N242 VanDerWaalsContact CG2-OD1 3.25Å; I166-N242 WeakPolarHBondContact CG2-OD1 3.33Å; I166-H246 HydrophobicContact CG2-CB 3.92Å
167	E	98.8	Very high	98.4	Very high	25 Å²	25	46.8 Å²	46.8	12%	0.117	25%	0.25	C	C	.	.	H	α-helix	trans	-56.6	-51.4	178.4	177.8	-175.5	-135.6	0	0	111	R163 R164 L169 A170 V171 Y185 A226 V241	R163-E167 PolarHBondContact O-N 2.96Å; R164-E167 PolarHBondContact O-N 3.02Å; E167-L169 VanDerWaalsContact C-N 3.33Å; E167-L169 PolarHBondContact O-N 3.48Å; E167-A170 PolarHBondContact O-N 3.25Å; E167-V171 HydrophobicContact CG-CG2 4.21Å; E167-V171 WeakPolarHBondContact O-CB 3.35Å; E167-V171 VanDerWaalsContact O-CG2 3.25Å; E167-V171 WeakPolarHBondContact O-CG2 3.25Å; E167-V171 PolarHBondContact O-N 2.95Å; E167-Y185 HydrophobicContact CG-CE1 4.32Å; E167-Y185 WeakPolarHBondContact CG-OH 3.37Å; E167-Y185 PolarHBondContact OE1-OH 2.8Å; E167-A226 HydrophobicContact CB-CB 4.05Å; E167-A226 WeakPolarHBondContact OE2-CA 3.49Å; E167-V241 HydrophobicContact CB-CG1 4.33Å
168	K	98.6	Very high	98.3	Very high	154 Å²	154	49.4 Å²	49.4	67%	0.67	27%	0.266	S	S	*	.	H	α-helix	trans	-57.1	-47.1	-179.8	-178.2	-177.5	175.6	-174.2	0	111.7	R164 A165 I166 E172	R164-K168 WeakPolarHBondContact O-CB 3.35Å; R164-K168 PolarHBondContact O-N 2.93Å; A165-K168 PolarHBondContact O-N 2.89Å; I166-K168 PolarHBondContact O-N 3.36Å; K168-E172 WeakPolarHBondContact O-CB 3.29Å; K168-E172 PolarHBondContact O-N 3.46Å; K168-E172 VanDerWaalsContact O-N 3.09Å
169	L	98.2	Very high	98.2	Very high	11 Å²	11	52.4 Å²	52.4	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-45.5	-179.9	177.7	61.8	0	0	0	111.3	I149 A165 I166 E167 E172 A173 F276 K279 Y281	I149-L169 HydrophobicContact CD1-CD2 4.26Å; I149-L169 HydrophobicContact CG2-CD2 4.08Å; A165-L169 WeakPolarHBondContact O-CB 3.49Å; A165-L169 PolarHBondContact O-N 3.35Å; I166-L169 PolarHBondContact O-N 3Å; E167-L169 VanDerWaalsContact C-N 3.33Å; E167-L169 PolarHBondContact O-N 3.48Å; L169-E172 PolarHBondContact O-N 2.98Å; L169-A173 PolarHBondContact O-N 2.74Å; L169-F276 HydrophobicContact CD1-CD1 3.93Å; L169-F276 HydrophobicContact CD1-CE1 4.17Å; L169-F276 HydrophobicContact CD2-CD1 4.05Å; L169-F276 HydrophobicContact CD2-CE1 4.17Å; L169-F276 HydrophobicContact CG-CD1 3.75Å; L169-F276 HydrophobicContact CG-CE1 3.62Å; L169-K279 HydrophobicContact CD1-CD 3.85Å; L169-Y281 HydrophobicContact CD1-CD2 3.64Å; L169-Y281 HydrophobicContact CD1-CE2 3.81Å; L169-Y281 HydrophobicContact CD1-CG 4.4Å; L169-Y281 HydrophobicContact CD2-CD1 3.73Å; L169-Y281 HydrophobicContact CD2-CD2 3.52Å; L169-Y281 HydrophobicContact CD2-CE1 4.05Å; L169-Y281 HydrophobicContact CD2-CE2 3.85Å; L169-Y281 HydrophobicContact CD2-CG 3.45Å; L169-Y281 VanDerWaalsContact CD2-CG 3.45Å; L169-Y281 HydrophobicContact CG-CD2 4.24Å; L169-Y281 HydrophobicContact CG-CE2 4.44Å
170	A	98.3	Very high	98.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-49.5	178.1	0	0	0	0	0	111.5	I166 E167 E172 A173 L174 V241 L247	I166-A170 VanDerWaalsContact O-CB 3.3Å; I166-A170 WeakPolarHBondContact O-CB 3.44Å; I166-A170 PolarHBondContact O-N 3.46Å; E167-A170 PolarHBondContact O-N 3.25Å; A170-E172 VanDerWaalsContact C-N 3.32Å; A170-E172 PolarHBondContact O-N 3.43Å; A170-A173 PolarHBondContact O-N 3.47Å; A170-L174 HydrophobicContact CB-CD1 4.41Å; A170-L174 WeakPolarHBondContact O-CB 3.44Å; A170-L174 WeakPolarHBondContact O-CD1 3.44Å; A170-L174 WeakPolarHBondContact O-CG 3.47Å; A170-L174 PolarHBondContact O-N 3.07Å; A170-V241 HydrophobicContact CB-CG1 4.11Å; A170-V241 HydrophobicContact CB-CG2 4.19Å; A170-L247 HydrophobicContact CB-CD2 3.74Å
171	V	98.1	Very high	98	Very high	43 Å²	43	47.6 Å²	47.6	26%	0.261	28%	0.277	S	S	.	.	H	α-helix	trans	-59.4	-43.7	179.4	172.2	0	0	0	0	111.3	E167 L174 S175 Y185	E167-V171 HydrophobicContact CG-CG2 4.21Å; E167-V171 WeakPolarHBondContact O-CB 3.35Å; E167-V171 VanDerWaalsContact O-CG2 3.25Å; E167-V171 WeakPolarHBondContact O-CG2 3.25Å; E167-V171 PolarHBondContact O-N 2.95Å; V171-L174 PolarHBondContact O-N 2.77Å; V171-S175 VanDerWaalsContact O-CB 3.24Å; V171-S175 WeakPolarHBondContact O-CB 3.21Å; V171-S175 PolarHBondContact O-N 2.99Å; V171-S175 PolarHBondContact O-OG 3.44Å; V171-Y185 HydrophobicContact CG1-CD1 4.36Å; V171-Y185 HydrophobicContact CG2-CD1 3.39Å; V171-Y185 HydrophobicContact CG2-CD2 3.9Å; V171-Y185 HydrophobicContact CG2-CE1 3.51Å; V171-Y185 HydrophobicContact CG2-CE2 4.02Å; V171-Y185 HydrophobicContact CG2-CG 3.58Å
172	E	97.6	Very high	98	Very high	93 Å²	93	46.7 Å²	46.7	44%	0.435	27%	0.265	S	S	.	.	H	α-helix	trans	-66	-41.9	-179.7	-158.5	-168.7	148.1	0	0	111.9	K168 L169 A170 S175 S176 K279	K168-E172 WeakPolarHBondContact O-CB 3.29Å; K168-E172 PolarHBondContact O-N 3.46Å; K168-E172 VanDerWaalsContact O-N 3.09Å; L169-E172 PolarHBondContact O-N 2.98Å; A170-E172 VanDerWaalsContact C-N 3.32Å; A170-E172 PolarHBondContact O-N 3.43Å; E172-S175 PolarHBondContact O-OG 3.4Å; E172-S176 PolarHBondContact O-OG 3.31Å; E172-K279 WeakPolarHBondContact OE1-CE 3.49Å; E172-K279 IonicContact OE1-NZ 3.45Å; E172-K279 PolarHBondContact OE1-NZ 2.85Å; E172-K279 IonicContact OE2-NZ 3.9Å; E172-K279 PolarHBondContact OE2-NZ 3.43Å
173	A	97.8	Very high	98	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-50.1	174.2	0	0	0	0	0	111.5	L169 A170 S175 S176 L275 F276	L169-A173 PolarHBondContact O-N 2.74Å; A170-A173 PolarHBondContact O-N 3.47Å; A173-S175 VanDerWaalsContact C-N 3.3Å; A173-S175 PolarHBondContact O-N 3.44Å; A173-S176 WeakPolarHBondContact O-CB 3.49Å; A173-S176 PolarHBondContact O-N 2.92Å; A173-L275 HydrophobicContact CB-CB 4.03Å; A173-L275 WeakPolarHBondContact O-CD1 3.46Å; A173-F276 HydrophobicContact CB-CD1 3.96Å; A173-F276 HydrophobicContact CB-CE1 3.52Å; A173-F276 HydrophobicContact CB-CZ 4.17Å
174	L	98	Very high	97.8	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-31.6	-177.4	-64.6	166.6	0	0	0	112.8	A170 V171 S176 L177 W230 V239 V241 I272	A170-L174 HydrophobicContact CB-CD1 4.41Å; A170-L174 WeakPolarHBondContact O-CB 3.44Å; A170-L174 WeakPolarHBondContact O-CD1 3.44Å; A170-L174 WeakPolarHBondContact O-CG 3.47Å; A170-L174 PolarHBondContact O-N 3.07Å; V171-L174 PolarHBondContact O-N 2.77Å; L174-S176 PolarHBondContact O-N 3.02Å; L174-L177 HydrophobicContact CD2-CD1 3.89Å; L174-L177 WeakPolarHBondContact O-CB 3.49Å; L174-L177 PolarHBondContact O-N 3Å; L174-W230 HydrophobicContact CB-CD2 4.07Å; L174-W230 HydrophobicContact CB-CG 3.86Å; L174-W230 HydrophobicContact CD1-CB 3.76Å; L174-W230 HydrophobicContact CD1-CD2 4.42Å; L174-W230 HydrophobicContact CD1-CG 3.93Å; L174-W230 HydrophobicContact CD2-CD2 4.22Å; L174-W230 HydrophobicContact CD2-CE3 4.28Å; L174-W230 HydrophobicContact CG-CD2 4.47Å; L174-W230 HydrophobicContact CG-CG 4.33Å; L174-W230 PolarHBondContact O-NE1 3.37Å; L174-V239 HydrophobicContact CD1-CB 4.04Å; L174-V239 HydrophobicContact CD1-CG1 4.04Å; L174-V239 HydrophobicContact CD1-CG2 4.47Å; L174-V239 HydrophobicContact CD2-CB 4.24Å; L174-V239 HydrophobicContact CD2-CG2 3.75Å; L174-V241 HydrophobicContact CD1-CG2 4.48Å; L174-I272 HydrophobicContact CD2-CD1 3.74Å; L174-I272 HydrophobicContact CD2-CG1 3.98Å
175	S	97.4	Very high	97.8	Very high	78 Å²	78	48.8 Å²	48.8	55%	0.545	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.4	173	69.2	0	0	0	0	114.1	V171 E172 A173	V171-S175 VanDerWaalsContact O-CB 3.24Å; V171-S175 WeakPolarHBondContact O-CB 3.21Å; V171-S175 PolarHBondContact O-N 2.99Å; V171-S175 PolarHBondContact O-OG 3.44Å; E172-S175 PolarHBondContact O-OG 3.4Å; A173-S175 VanDerWaalsContact C-N 3.3Å; A173-S175 PolarHBondContact O-N 3.44Å
176	S	97.4	Very high	97.6	Very high	64 Å²	64	48 Å²	48	45%	0.448	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.6	178.5	-49.6	0	0	0	0	112.7	E172 A173 L174	E172-S176 PolarHBondContact O-OG 3.31Å; A173-S176 WeakPolarHBondContact O-CB 3.49Å; A173-S176 PolarHBondContact O-N 2.92Å; L174-S176 PolarHBondContact O-N 3.02Å
177	L	97.5	Very high	97.5	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.047	27%	0.274	C	S	.	.			trans	-71.4	140	173.1	-63.3	176.9	0	0	0	109.8	L174 L181 W230 F237 Q271 I272 L275	L174-L177 HydrophobicContact CD2-CD1 3.89Å; L174-L177 WeakPolarHBondContact O-CB 3.49Å; L174-L177 PolarHBondContact O-N 3Å; L177-L181 HydrophobicContact CB-CB 4.05Å; L177-L181 WeakPolarHBondContact CB-O 3.19Å; L177-L181 HydrophobicContact CD1-CB 4.43Å; L177-W230 HydrophobicContact CB-CZ2 4.44Å; L177-W230 HydrophobicContact CD1-CH2 3.78Å; L177-W230 HydrophobicContact CD1-CZ2 3.87Å; L177-W230 HydrophobicContact CD1-CZ3 4.44Å; L177-F237 HydrophobicContact CD1-CE1 4.39Å; L177-Q271 HydrophobicContact CD2-CB 3.84Å; L177-I272 HydrophobicContact CD1-CG1 4.25Å; L177-I272 HydrophobicContact CD2-CG1 4.43Å; L177-L275 HydrophobicContact CD2-CD1 3.9Å
178	D	96.9	Very high	97.3	Very high	113 Å²	113	48.7 Å²	48.7	60%	0.604	28%	0.275	S	S	*	.			trans	-127.1	-178.4	-176	66	4.8	0	0	0	112.4	D180 L181 A182	D178-D180 PolarHBondContact O-N 3.23Å; D178-L181 CarbonylContact O-C 3.52Å; D178-L181 WeakPolarHBondContact O-CA 3.47Å; D178-L181 PolarHBondContact O-N 3.28Å; D178-A182 PolarHBondContact O-N 3.25Å
179	G	96.9	Very high	97.1	Very high	64 Å²	64	48 Å²	48	66%	0.66	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	59.2	-133.6	-179.7	0	0	0	0	0	112.9	L181 A182	G179-L181 PolarHBondContact O-N 3.38Å; G179-A182 WeakPolarHBondContact O-CB 3.39Å; G179-A182 PolarHBondContact O-N 2.66Å; G179-A182 VanDerWaalsContact O-N 3.14Å
180	D	96.3	Very high	96.8	Very high	81 Å²	81	51.4 Å²	51.4	43%	0.433	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-65.5	-16.4	176.7	-174.8	56	0	0	0	113	D178 N232 N234	D178-D180 PolarHBondContact O-N 3.23Å; D180-N232 WeakPolarHBondContact O-CB 3.49Å; D180-N232 PolarHBondContact O-ND2 3.2Å; D180-N234 PolarHBondContact OD1-ND2 3.34Å
181	L	98.2	Very high	96.4	Very high	9 Å²	9	52.7 Å²	52.7	5%	0.047	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-96.4	1	177	-59	-179.4	0	0	0	112.6	L177 D178 G179 G183 W230 F237 R264 T267	L177-L181 HydrophobicContact CB-CB 4.05Å; L177-L181 WeakPolarHBondContact CB-O 3.19Å; L177-L181 HydrophobicContact CD1-CB 4.43Å; D178-L181 CarbonylContact O-C 3.52Å; D178-L181 WeakPolarHBondContact O-CA 3.47Å; D178-L181 PolarHBondContact O-N 3.28Å; G179-L181 PolarHBondContact O-N 3.38Å; L181-G183 PolarHBondContact O-N 2.78Å; L181-W230 WeakPolarHBondContact O-CH2 3.38Å; L181-W230 WeakPolarHBondContact O-CZ2 3.4Å; L181-F237 HydrophobicContact CD2-CB 4Å; L181-F237 HydrophobicContact CD2-CD1 3.73Å; L181-F237 HydrophobicContact CD2-CE1 4.38Å; L181-F237 HydrophobicContact CD2-CG 3.87Å; L181-R264 HydrophobicContact CD2-CG 3.97Å; L181-T267 HydrophobicContact CD1-CG2 4.47Å
182	A	98.4	Very high	96.1	Very high	30 Å²	30	54.1 Å²	54.1	25%	0.248	31%	0.312	C	S	.	.			trans	-62.1	137	172.8	0	0	0	0	0	110.4	D178 G179 N232 D233	D178-A182 PolarHBondContact O-N 3.25Å; G179-A182 WeakPolarHBondContact O-CB 3.39Å; G179-A182 PolarHBondContact O-N 2.66Å; G179-A182 VanDerWaalsContact O-N 3.14Å; A182-N232 CarbonylContact O-C 3.52Å; A182-N232 WeakPolarHBondContact O-CA 3.35Å; A182-N232 WeakPolarHBondContact O-CB 3.31Å; A182-D233 PolarHBondContact O-N 3.31Å
183	G	97.3	Very high	95.5	Very high	26 Å²	26	57.8 Å²	57.8	27%	0.268	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	-175.1	-172.6	0	0	0	0	0	114.6	L181 H231	L181-G183 PolarHBondContact O-N 2.78Å; G183-H231 WeakPolarHBondContact CA-O 3.4Å
184	R	96.6	Very high	95.1	Very high	134 Å²	134	61.3 Å²	61.3	51%	0.506	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.1	-177.4	53	168.5	171.8	156.7	7	112.9	Y186 W230 H231	R184-Y186 HydrophobicContact CB-CE2 4.45Å; R184-Y186 VanDerWaalsContact CD-CZ 3.49Å; R184-Y186 HydrophobicContact CG-CD2 4.46Å; R184-Y186 HydrophobicContact CG-CE2 3.56Å; R184-Y186 PolarHBondContact NE-OH 3.17Å; R184-Y186 PolarHBondContact NH2-OH 3.12Å; R184-W230 WeakPolarHBondContact O-CA 3.32Å; R184-H231 PolarHBondContact N-O 2.98Å; R184-H231 PolarHBondContact O-N 3.19Å
185	Y	97.3	Very high	94.7	Very high	49 Å²	49	64 Å²	64	19%	0.192	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	140.3	174.9	-179	-110.7	0	0	0	111.3	E167 V171 A187 G228 I229 W230 V241	E167-Y185 HydrophobicContact CG-CE1 4.32Å; E167-Y185 WeakPolarHBondContact CG-OH 3.37Å; E167-Y185 PolarHBondContact OE1-OH 2.8Å; V171-Y185 HydrophobicContact CG1-CD1 4.36Å; V171-Y185 HydrophobicContact CG2-CD1 3.39Å; V171-Y185 HydrophobicContact CG2-CD2 3.9Å; V171-Y185 HydrophobicContact CG2-CE1 3.51Å; V171-Y185 HydrophobicContact CG2-CE2 4.02Å; V171-Y185 HydrophobicContact CG2-CG 3.58Å; Y185-A187 HydrophobicContact CE1-CB 3.82Å; Y185-G228 VanDerWaalsContact OH-CA 3.27Å; Y185-G228 WeakPolarHBondContact OH-CA 3.38Å; Y185-G228 PolarHBondContact OH-N 3.47Å; Y185-I229 WeakPolarHBondContact CD2-O 3.48Å; Y185-W230 HydrophobicContact CD2-CB 4.01Å; Y185-V241 HydrophobicContact CE2-CB 4.22Å; Y185-V241 HydrophobicContact CE2-CG2 3.91Å
186	Y	95.8	Very high	94.1	Very high	21 Å²	21	64.2 Å²	64.2	8%	0.082	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	105.9	177	-53.4	-106.1	0	0	0	108.5	R184 G228 I229 H231	R184-Y186 HydrophobicContact CB-CE2 4.45Å; R184-Y186 VanDerWaalsContact CD-CZ 3.49Å; R184-Y186 HydrophobicContact CG-CD2 4.46Å; R184-Y186 HydrophobicContact CG-CE2 3.56Å; R184-Y186 PolarHBondContact NE-OH 3.17Å; R184-Y186 PolarHBondContact NH2-OH 3.12Å; Y186-G228 WeakPolarHBondContact O-CA 3.31Å; Y186-I229 HydrophobicContact CD2-CG2 4.47Å; Y186-I229 WeakPolarHBondContact CD2-O 3.35Å; Y186-I229 PolarHBondContact N-O 2.82Å; Y186-I229 PolarHBondContact O-N 2.89Å; Y186-H231 AromaticContact CE2-CD2 3.63Å; Y186-H231 AromaticContact CE2-CE1 3.87Å; Y186-H231 AromaticContact CE2-NE2 3.23Å; Y186-H231 WeakPolarHBondContact CE2-NE2 3.36Å; Y186-H231 AromaticContact CZ-NE2 3.54Å; Y186-H231 PolarHBondContact OH-CE1 3.47Å; Y186-H231 VanDerWaalsContact OH-CE1 3.31Å; Y186-H231 PolarHBondContact OH-NE2 3.2Å
187	A	96.6	Very high	93.3	Very high	13 Å²	13	65.8 Å²	65.8	11%	0.107	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	131.2	172.9	0	0	0	0	0	109.5	Y185 K189 S190 M191	Y185-A187 HydrophobicContact CE1-CB 3.82Å; A187-K189 HydrophobicContact CB-CG 4.16Å; A187-K189 PolarHBondContact O-N 3.17Å; A187-S190 PolarHBondContact O-N 3.15Å; A187-S190 VanDerWaalsContact O-N 3.14Å; A187-S190 PolarHBondContact O-OG 3.12Å; A187-M191 PolarHBondContact O-N 3.3Å
188	L	94.5	Very high	92.7	Very high	27 Å²	27	69.7 Å²	69.7	14%	0.141	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-59	-36.1	-178.8	-67.3	-169.1	0	0	0	112.1	S190 M191 L205 F206 W223 P224 R227	L188-S190 PolarHBondContact O-N 3.4Å; L188-S190 VanDerWaalsContact O-N 3.16Å; L188-M191 HydrophobicContact CD2-CE 3.73Å; L188-M191 HydrophobicContact CD2-SD 4.34Å; L188-M191 PolarHBondContact O-N 3.08Å; L188-L205 HydrophobicContact CD2-CD1 3.73Å; L188-F206 HydrophobicContact CD1-CD2 4.48Å; L188-F206 HydrophobicContact CD1-CE2 3.76Å; L188-F206 HydrophobicContact CD1-CZ 3.99Å; L188-F206 HydrophobicContact CG-CZ 4.49Å; L188-W223 HydrophobicContact CD1-CH2 3.5Å; L188-W223 HydrophobicContact CD1-CZ2 3.3Å; L188-W223 HydrophobicContact CD1-CZ3 4.39Å; L188-P224 HydrophobicContact CB-CB 3.85Å; L188-P224 HydrophobicContact CD1-CB 4.46Å; L188-R227 HydrophobicContact CD1-CB 3.73Å; L188-R227 HydrophobicContact CG-CB 4.13Å; L188-R227 PolarHBondContact N-O 2.71Å
189	K	93.2	Very high	92.2	Very high	139 Å²	139	64.5 Å²	64.5	60%	0.604	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-62.1	-21	-179.5	69.5	178.5	-179.3	-171.9	0	114.7	A187 P224	A187-K189 HydrophobicContact CB-CG 4.16Å; A187-K189 PolarHBondContact O-N 3.17Å; K189-P224 HydrophobicContact CB-CG 4.22Å
190	S	92	Very high	91.3	Very high	84 Å²	84	64.3 Å²	64.3	59%	0.587	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-126.4	12.8	-174.9	57.8	0	0	0	0	112.5	A187 L188	A187-S190 PolarHBondContact O-N 3.15Å; A187-S190 VanDerWaalsContact O-N 3.14Å; A187-S190 PolarHBondContact O-OG 3.12Å; L188-S190 PolarHBondContact O-N 3.4Å; L188-S190 VanDerWaalsContact O-N 3.16Å
191	M	91.1	Very high	90.4	Very high	26 Å²	26	64.9 Å²	64.9	13%	0.128	34%	0.34	C	S	.	.			trans	-73.2	131.6	177.5	-169.7	175.2	-74.3	0	0	109.3	A187 L188 E195 Q196 L199 L205 I229	A187-M191 PolarHBondContact O-N 3.3Å; L188-M191 HydrophobicContact CD2-CE 3.73Å; L188-M191 HydrophobicContact CD2-SD 4.34Å; L188-M191 PolarHBondContact O-N 3.08Å; M191-E195 HydrophobicContact CG-CB 3.76Å; M191-Q196 HydrophobicContact CG-CB 4.07Å; M191-Q196 VanDerWaalsContact SD-CA 3.55Å; M191-Q196 HydrophobicContact SD-CB 3.79Å; M191-Q196 HydrophobicContact SD-CG 4.03Å; M191-L199 HydrophobicContact CE-CD1 3.42Å; M191-L199 VanDerWaalsContact CE-CD1 3.42Å; M191-L199 HydrophobicContact SD-CD1 3.77Å; M191-L205 HydrophobicContact CE-CD1 3.93Å; M191-L205 HydrophobicContact SD-CD1 4.01Å; M191-L205 HydrophobicContact SD-CD2 4.43Å; M191-I229 HydrophobicContact CE-CG2 3.87Å
192	T	90.6	Very high	89.5	Confident	74 Å²	74	66.5 Å²	66.5	45%	0.454	35%	0.349	S	S	.	.			trans	-73.3	156.2	173.4	61.6	0	0	0	0	110.7	A194 E195 Q196	T192-A194 PolarHBondContact O-N 2.89Å; T192-E195 PolarHBondContact N-OE2 3.36Å; T192-E195 PolarHBondContact O-N 3.02Å; T192-E195 VanDerWaalsContact O-N 3.16Å; T192-E195 WeakPolarHBondContact OG1-CB 3.18Å; T192-E195 VanDerWaalsContact OG1-CD 3.3Å; T192-E195 WeakPolarHBondContact OG1-CG 3.21Å; T192-E195 PolarHBondContact OG1-N 2.8Å; T192-E195 PolarHBondContact OG1-OE2 3.25Å; T192-Q196 WeakPolarHBondContact O-CB 3.44Å; T192-Q196 PolarHBondContact O-N 2.68Å
193	E	85.8	Confident	88.5	Confident	170 Å²	170	72.2 Å²	72.2	79%	0.794	37%	0.37	S	S	*	.	H	α-helix	trans	-56.4	-36.6	176	-67.5	-179	173.3	0	0	112.2	Q196 Q197	E193-Q196 PolarHBondContact O-N 3.32Å; E193-Q197 WeakPolarHBondContact O-CB 3.45Å; E193-Q197 PolarHBondContact O-N 3.19Å
194	A	89.4	Confident	88	Confident	75 Å²	75	71.9 Å²	71.9	62%	0.62	36%	0.361	S	S	*	.	H	α-helix	trans	-67.6	-43.4	177.5	0	0	0	0	0	112.5	T192 Q196 Q198	T192-A194 PolarHBondContact O-N 2.89Å; A194-Q196 VanDerWaalsContact C-N 3.34Å; A194-Q198 WeakPolarHBondContact O-CB 3.26Å; A194-Q198 PolarHBondContact O-N 3.08Å
195	E	88.6	Confident	87.3	Confident	59 Å²	59	66.4 Å²	66.4	28%	0.276	34%	0.342	S	S	.	.	H	α-helix	trans	-64.9	-41.3	174.4	-73.2	166.8	139.5	0	0	111.4	M191 T192 Q198 L199	M191-E195 HydrophobicContact CG-CB 3.76Å; T192-E195 PolarHBondContact N-OE2 3.36Å; T192-E195 PolarHBondContact O-N 3.02Å; T192-E195 VanDerWaalsContact O-N 3.16Å; T192-E195 WeakPolarHBondContact OG1-CB 3.18Å; T192-E195 VanDerWaalsContact OG1-CD 3.3Å; T192-E195 WeakPolarHBondContact OG1-CG 3.21Å; T192-E195 PolarHBondContact OG1-N 2.8Å; T192-E195 PolarHBondContact OG1-OE2 3.25Å; E195-Q198 PolarHBondContact O-N 3.23Å; E195-L199 VanDerWaalsContact O-CG 3.29Å; E195-L199 WeakPolarHBondContact O-CG 3.34Å; E195-L199 PolarHBondContact O-N 3.35Å
196	Q	84.8	Confident	86.6	Confident	81 Å²	81	64.6 Å²	64.6	38%	0.379	34%	0.335	S	S	.	.	H	α-helix	trans	-61.2	-51.2	177.6	-166.8	-176.9	-2.2	0	0	111	M191 T192 E193 A194 Q198 L199 I200 L205	M191-Q196 HydrophobicContact CG-CB 4.07Å; M191-Q196 VanDerWaalsContact SD-CA 3.55Å; M191-Q196 HydrophobicContact SD-CB 3.79Å; M191-Q196 HydrophobicContact SD-CG 4.03Å; T192-Q196 WeakPolarHBondContact O-CB 3.44Å; T192-Q196 PolarHBondContact O-N 2.68Å; E193-Q196 PolarHBondContact O-N 3.32Å; A194-Q196 VanDerWaalsContact C-N 3.34Å; Q196-Q198 VanDerWaalsContact C-N 3.31Å; Q196-Q198 PolarHBondContact O-N 3.41Å; Q196-L199 PolarHBondContact O-N 3.06Å; Q196-I200 HydrophobicContact CG-CD1 4.12Å; Q196-I200 WeakPolarHBondContact O-CG1 3.35Å; Q196-I200 PolarHBondContact O-N 3.5Å; Q196-L205 HydrophobicContact CG-CD2 3.42Å; Q196-L205 VanDerWaalsContact CG-CD2 3.42Å
197	Q	81.6	Confident	85.5	Confident	97 Å²	97	68.2 Å²	68.2	45%	0.453	36%	0.356	S	S	.	.	H	α-helix	trans	-60.7	-42.2	178.9	-171.3	61.4	54.4	0	0	111.3	E193 L199 I200 D201	E193-Q197 WeakPolarHBondContact O-CB 3.45Å; E193-Q197 PolarHBondContact O-N 3.19Å; Q197-L199 VanDerWaalsContact C-N 3.34Å; Q197-L199 PolarHBondContact O-N 2.86Å; Q197-I200 WeakPolarHBondContact O-CB 3.43Å; Q197-I200 PolarHBondContact O-N 2.97Å; Q197-D201 PolarHBondContact NE2-OD1 2.84Å; Q197-D201 WeakPolarHBondContact O-CB 3.48Å; Q197-D201 PolarHBondContact O-N 2.93Å
198	Q	85.3	Confident	84.5	Confident	91 Å²	91	73.5 Å²	73.5	43%	0.425	38%	0.376	S	S	.	.	H	α-helix	trans	-59.7	-43.8	176.5	-176.8	63.2	66.2	0	0	112	A194 E195 Q196 I200 D201 D202	A194-Q198 WeakPolarHBondContact O-CB 3.26Å; A194-Q198 PolarHBondContact O-N 3.08Å; E195-Q198 PolarHBondContact O-N 3.23Å; Q196-Q198 VanDerWaalsContact C-N 3.31Å; Q196-Q198 PolarHBondContact O-N 3.41Å; Q198-I200 VanDerWaalsContact C-N 3.33Å; Q198-D201 PolarHBondContact O-N 2.89Å; Q198-D202 VanDerWaalsContact NE2-CG 3.31Å; Q198-D202 PolarHBondContact NE2-OD1 2.98Å; Q198-D202 PolarHBondContact NE2-OD2 2.8Å; Q198-D202 VanDerWaalsContact NE2-OD2 3.11Å; Q198-D202 WeakPolarHBondContact O-CB 3.36Å; Q198-D202 PolarHBondContact O-N 2.8Å; Q198-D202 VanDerWaalsContact O-OD2 3.13Å
199	L	85.6	Confident	84	Confident	4 Å²	4	72.8 Å²	72.8	2%	0.021	37%	0.373	C	S	.	.	H	α-helix	trans	-70.3	-29.4	178.7	-68.2	167	0	0	0	112.6	M191 E195 Q196 Q197 H203 F204 L205 I229	M191-L199 HydrophobicContact CE-CD1 3.42Å; M191-L199 VanDerWaalsContact CE-CD1 3.42Å; M191-L199 HydrophobicContact SD-CD1 3.77Å; E195-L199 VanDerWaalsContact O-CG 3.29Å; E195-L199 WeakPolarHBondContact O-CG 3.34Å; E195-L199 PolarHBondContact O-N 3.35Å; Q196-L199 PolarHBondContact O-N 3.06Å; Q197-L199 VanDerWaalsContact C-N 3.34Å; Q197-L199 PolarHBondContact O-N 2.86Å; L199-H203 PolarHBondContact O-N 2.91Å; L199-F204 HydrophobicContact CD2-CB 4.07Å; L199-F204 HydrophobicContact CD2-CD2 4.18Å; L199-F204 PolarHBondContact O-N 2.81Å; L199-L205 HydrophobicContact CB-CB 3.78Å; L199-L205 HydrophobicContact CB-CD1 4.23Å; L199-L205 HydrophobicContact CB-CG 4.42Å; L199-L205 HydrophobicContact CD1-CD1 4.09Å; L199-L205 PolarHBondContact O-N 2.68Å; L199-I229 HydrophobicContact CD1-CG2 3.82Å; L199-I229 HydrophobicContact CD2-CD1 4.44Å
200	I	79	Confident	83.7	Confident	60 Å²	60	72.1 Å²	72.1	31%	0.308	38%	0.381	S	S	.	.	H	α-helix	trans	-67	-50	171.1	-70.2	166.7	0	0	0	110.1	Q196 Q197 Q198 D202 H203 L205	Q196-I200 HydrophobicContact CG-CD1 4.12Å; Q196-I200 WeakPolarHBondContact O-CG1 3.35Å; Q196-I200 PolarHBondContact O-N 3.5Å; Q197-I200 WeakPolarHBondContact O-CB 3.43Å; Q197-I200 PolarHBondContact O-N 2.97Å; Q198-I200 VanDerWaalsContact C-N 3.33Å; I200-D202 PolarHBondContact O-N 3.17Å; I200-H203 WeakPolarHBondContact O-CA 3.06Å; I200-H203 PolarHBondContact O-N 2.97Å; I200-L205 HydrophobicContact CD1-CD2 4.21Å; I200-L205 HydrophobicContact CG1-CB 4.14Å; I200-L205 HydrophobicContact CG1-CD2 3.79Å
201	D	76.8	Confident	83.5	Confident	94 Å²	94	69.2 Å²	69.2	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-62.4	-34.3	-178.7	-67.3	-14.6	0	0	0	111.7	Q197 Q198 H203	Q197-D201 PolarHBondContact NE2-OD1 2.84Å; Q197-D201 WeakPolarHBondContact O-CB 3.48Å; Q197-D201 PolarHBondContact O-N 2.93Å; Q198-D201 PolarHBondContact O-N 2.89Å; D201-H203 PolarHBondContact O-N 3.09Å
202	D	79.4	Confident	83.5	Confident	43 Å²	43	71.1 Å²	71.1	23%	0.23	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-5.4	175.4	-65.2	-29.2	0	0	0	113.5	Q198 I200 F204 K235	Q198-D202 VanDerWaalsContact NE2-CG 3.31Å; Q198-D202 PolarHBondContact NE2-OD1 2.98Å; Q198-D202 PolarHBondContact NE2-OD2 2.8Å; Q198-D202 VanDerWaalsContact NE2-OD2 3.11Å; Q198-D202 WeakPolarHBondContact O-CB 3.36Å; Q198-D202 PolarHBondContact O-N 2.8Å; Q198-D202 VanDerWaalsContact O-OD2 3.13Å; I200-D202 PolarHBondContact O-N 3.17Å; D202-F204 VanDerWaalsContact C-N 3.3Å; D202-F204 HydrophobicContact CB-CB 4.48Å; D202-F204 HydrophobicContact CB-CD1 4.23Å; D202-F204 HydrophobicContact CB-CD2 3.33Å; D202-F204 HydrophobicContact CB-CE1 4.28Å; D202-F204 HydrophobicContact CB-CE2 3.38Å; D202-F204 HydrophobicContact CB-CG 3.76Å; D202-F204 HydrophobicContact CB-CZ 3.88Å; D202-F204 WeakPolarHBondContact O-CD1 3.45Å; D202-F204 VanDerWaalsContact O-CE1 3.23Å; D202-F204 WeakPolarHBondContact O-CE1 3.47Å; D202-F204 PolarHBondContact O-N 3.22Å; D202-K235 IonicContact OD1-NZ 2.65Å; D202-K235 WeakPolarHBondContact OD2-CE 3.48Å; D202-K235 IonicContact OD2-NZ 3.87Å; D202-K235 PolarHBondContact OD2-NZ 3.29Å
203	H	77.6	Confident	83.6	Confident	150 Å²	150	69.5 Å²	69.5	69%	0.694	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	33.6	-172.3	-53.6	-64.5	0	0	0	114.2	L199 I200 D201	L199-H203 PolarHBondContact O-N 2.91Å; I200-H203 WeakPolarHBondContact O-CA 3.06Å; I200-H203 PolarHBondContact O-N 2.97Å; D201-H203 PolarHBondContact O-N 3.09Å
204	F	85.4	Confident	83.9	Confident	18 Å²	18	62.5 Å²	62.5	8%	0.079	33%	0.331	C	S	.	.			trans	-103.6	-30.7	-178.1	-62.9	-21.1	0	0	0	113.8	L199 D202 I229 K235 L238 W240 M252	L199-F204 HydrophobicContact CD2-CB 4.07Å; L199-F204 HydrophobicContact CD2-CD2 4.18Å; L199-F204 PolarHBondContact O-N 2.81Å; D202-F204 VanDerWaalsContact C-N 3.3Å; D202-F204 HydrophobicContact CB-CB 4.48Å; D202-F204 HydrophobicContact CB-CD1 4.23Å; D202-F204 HydrophobicContact CB-CD2 3.33Å; D202-F204 HydrophobicContact CB-CE1 4.28Å; D202-F204 HydrophobicContact CB-CE2 3.38Å; D202-F204 HydrophobicContact CB-CG 3.76Å; D202-F204 HydrophobicContact CB-CZ 3.88Å; D202-F204 WeakPolarHBondContact O-CD1 3.45Å; D202-F204 VanDerWaalsContact O-CE1 3.23Å; D202-F204 WeakPolarHBondContact O-CE1 3.47Å; D202-F204 PolarHBondContact O-N 3.22Å; F204-I229 HydrophobicContact CB-CD1 3.97Å; F204-I229 WeakPolarHBondContact O-CD1 3.38Å; F204-K235 HydrophobicContact CE2-CB 3.49Å; F204-K235 VanDerWaalsContact CE2-CB 3.49Å; F204-K235 HydrophobicContact CE2-CD 3.77Å; F204-K235 HydrophobicContact CE2-CG 3.66Å; F204-K235 HydrophobicContact CZ-CB 3.71Å; F204-K235 HydrophobicContact CZ-CG 4.38Å; F204-K235 WeakPolarHBondContact CZ-O 3.49Å; F204-L238 HydrophobicContact CB-CD2 3.54Å; F204-L238 HydrophobicContact CD1-CD1 4.42Å; F204-L238 HydrophobicContact CD1-CD2 3.46Å; F204-L238 VanDerWaalsContact CD1-CD2 3.46Å; F204-L238 HydrophobicContact CD2-CD2 3.76Å; F204-L238 HydrophobicContact CE1-CD1 4.39Å; F204-L238 HydrophobicContact CE1-CD2 4.07Å; F204-L238 HydrophobicContact CE2-CD2 4.33Å; F204-L238 HydrophobicContact CG-CD2 3.3Å; F204-L238 HydrophobicContact CZ-CD2 4.47Å; F204-W240 VanDerWaalsContact O-CE2 3.32Å; F204-W240 WeakPolarHBondContact O-CZ2 3.44Å; F204-W240 PolarHBondContact O-NE1 2.99Å; F204-M252 HydrophobicContact CD1-CE 4.48Å; F204-M252 HydrophobicContact CD1-SD 4.13Å; F204-M252 HydrophobicContact CE1-CE 3.95Å; F204-M252 HydrophobicContact CE1-SD 3.83Å
205	L	82.7	Confident	84.2	Confident	20 Å²	20	63 Å²	63	11%	0.105	32%	0.323	C	S	.	.			trans	-72.7	147.4	-178.6	-160	62.9	0	0	0	111.1	L188 M191 Q196 L199 I200 I229	L188-L205 HydrophobicContact CD2-CD1 3.73Å; M191-L205 HydrophobicContact CE-CD1 3.93Å; M191-L205 HydrophobicContact SD-CD1 4.01Å; M191-L205 HydrophobicContact SD-CD2 4.43Å; Q196-L205 HydrophobicContact CG-CD2 3.42Å; Q196-L205 VanDerWaalsContact CG-CD2 3.42Å; L199-L205 HydrophobicContact CB-CB 3.78Å; L199-L205 HydrophobicContact CB-CD1 4.23Å; L199-L205 HydrophobicContact CB-CG 4.42Å; L199-L205 HydrophobicContact CD1-CD1 4.09Å; L199-L205 PolarHBondContact O-N 2.68Å; I200-L205 HydrophobicContact CD1-CD2 4.21Å; I200-L205 HydrophobicContact CG1-CB 4.14Å; I200-L205 HydrophobicContact CG1-CD2 3.79Å; L205-I229 HydrophobicContact CD1-CG2 4.26Å
206	F	82.3	Confident	84.6	Confident	10 Å²	10	61.3 Å²	61.3	4%	0.044	32%	0.319	C	S	.	.			trans	-105.4	134.2	161.5	59.5	-85.5	0	0	0	108.6	L188 W223 R227 G228 I229 W240 E243	L188-F206 HydrophobicContact CD1-CD2 4.48Å; L188-F206 HydrophobicContact CD1-CE2 3.76Å; L188-F206 HydrophobicContact CD1-CZ 3.99Å; L188-F206 HydrophobicContact CG-CZ 4.49Å; F206-W223 AromaticContact CD2-CH2 3.58Å; F206-W223 HydrophobicContact CD2-CH2 3.58Å; F206-W223 HydrophobicContact CD2-CZ3 4.27Å; F206-W223 AromaticContact CE2-CH2 3.43Å; F206-W223 HydrophobicContact CE2-CH2 3.43Å; F206-W223 VanDerWaalsContact CE2-CH2 3.43Å; F206-W223 HydrophobicContact CE2-CZ2 4.48Å; F206-W223 AromaticContact CE2-CZ3 3.92Å; F206-W223 HydrophobicContact CE2-CZ3 3.92Å; F206-R227 HydrophobicContact CE2-CB 4.33Å; F206-R227 HydrophobicContact CE2-CG 4.36Å; F206-R227 HydrophobicContact CZ-CB 4.31Å; F206-G228 WeakPolarHBondContact CE1-O 3.22Å; F206-I229 HydrophobicContact CE1-CB 4.44Å; F206-W240 HydrophobicContact CB-CD2 4.11Å; F206-W240 HydrophobicContact CB-CE3 3.91Å; F206-W240 HydrophobicContact CB-CH2 3.89Å; F206-W240 HydrophobicContact CB-CZ2 4.08Å; F206-W240 HydrophobicContact CB-CZ3 3.81Å; F206-W240 HydrophobicContact CD1-CB 3.76Å; F206-W240 AromaticContact CD1-CD1 3.61Å; F206-W240 AromaticContact CD1-CD2 3.45Å; F206-W240 HydrophobicContact CD1-CD2 3.45Å; F206-W240 VanDerWaalsContact CD1-CD2 3.45Å; F206-W240 AromaticContact CD1-CE2 3.76Å; F206-W240 AromaticContact CD1-CE3 3.96Å; F206-W240 HydrophobicContact CD1-CE3 3.96Å; F206-W240 AromaticContact CD1-CG 3.36Å; F206-W240 HydrophobicContact CD1-CG 3.36Å; F206-W240 HydrophobicContact CD1-CZ2 4.48Å; F206-W240 AromaticContact CD1-NE1 3.83Å; F206-W240 HydrophobicContact CE1-CB 3.54Å; F206-W240 AromaticContact CE1-CD1 3.86Å; F206-W240 HydrophobicContact CE1-CD2 4.19Å; F206-W240 AromaticContact CE1-CG 3.61Å; F206-W240 HydrophobicContact CE1-CG 3.61Å; F206-W240 HydrophobicContact CG-CD2 4.07Å; F206-W240 HydrophobicContact CG-CE3 4.14Å; F206-W240 HydrophobicContact CG-CG 4.36Å; F206-W240 HydrophobicContact CZ-CB 4.35Å; F206-E243 HydrophobicContact CB-CG 4.1Å; F206-E243 HydrophobicContact CD1-CG 4.49Å; F206-E243 HydrophobicContact CD2-CB 3.81Å; F206-E243 HydrophobicContact CD2-CG 3.19Å; F206-E243 HydrophobicContact CE2-CB 3.68Å; F206-E243 HydrophobicContact CE2-CG 3.59Å; F206-E243 HydrophobicContact CG-CB 4.3Å; F206-E243 HydrophobicContact CG-CG 3.7Å; F206-E243 HydrophobicContact CZ-CB 4.1Å; F206-E243 HydrophobicContact CZ-CG 4.4Å
207	D	72.6	Confident	85.3	Confident	98 Å²	98	58 Å²	58	52%	0.524	31%	0.305	S	S	.	.			trans	-84.1	172.2	179.6	-72.4	-40.3	0	0	0	111.8	P209 W223	D207-P209 WeakPolarHBondContact O-CD 3.22Å; D207-W223 WeakPolarHBondContact O-CH2 3.49Å
208	K	77	Confident	86	Confident	123 Å²	123	54.4 Å²	54.4	54%	0.535	29%	0.294	S	S	.	.	S	Bend	trans	-51.5	127.9	168.6	-176.2	176.5	179.4	-177.2	0	108.4	V210 W223	K208-V210 PolarHBondContact O-N 2.92Å; K208-W223 VanDerWaalsContact CA-CZ2 3.42Å; K208-W223 HydrophobicContact CB-CD2 4.3Å; K208-W223 HydrophobicContact CB-CG 4.46Å; K208-W223 HydrophobicContact CB-CZ2 4.1Å; K208-W223 HydrophobicContact CD-CG 4.26Å; K208-W223 HydrophobicContact CG-CD2 4.07Å; K208-W223 HydrophobicContact CG-CG 3.9Å
209	P	83.5	Confident	86.6	Confident	12 Å²	12	50.4 Å²	50.4	8%	0.078	28%	0.275	C	S	.	.			trans	-52.8	115.4	178.3	-30	35.4	0	0	0	110.9	D207 L214 L215 A220 W223	D207-P209 WeakPolarHBondContact O-CD 3.22Å; P209-L214 HydrophobicContact CB-CB 3.95Å; P209-L214 HydrophobicContact CB-CD1 3.83Å; P209-L214 HydrophobicContact CG-CD1 4.33Å; P209-L215 WeakPolarHBondContact O-CD2 3.31Å; P209-A220 HydrophobicContact CB-CB 4.23Å; P209-A220 HydrophobicContact CG-CB 4.37Å; P209-W223 VanDerWaalsContact CD-CZ3 3.44Å; P209-W223 HydrophobicContact CG-CE3 4.4Å; P209-W223 HydrophobicContact CG-CZ3 4.16Å
210	V	86.1	Confident	87.2	Confident	126 Å²	126	51 Å²	51	76%	0.764	28%	0.281	S	S	*	.			trans	-104.7	-12.7	171.9	-65.2	0	0	0	0	111.9	K208	K208-V210 PolarHBondContact O-N 2.92Å
211	S	88.4	Confident	88	Confident	23 Å²	23	52.3 Å²	52.3	16%	0.161	28%	0.282	C	S	.	.			trans	-62.1	126.9	177.4	178.9	0	0	0	0	109.6	L213 L214 L215	S211-L213 PolarHBondContact O-N 3.45Å; S211-L213 PolarHBondContact OG-N 3.33Å; S211-L214 PolarHBondContact O-N 3.4Å; S211-L214 VanDerWaalsContact O-N 3.11Å; S211-L215 WeakPolarHBondContact O-CG 3.43Å; S211-L215 PolarHBondContact O-N 3.33Å; S211-L215 VanDerWaalsContact O-N 3.07Å
212	P	91.3	Very high	89	Confident	66 Å²	66	50.5 Å²	50.5	43%	0.429	27%	0.272	S	S	.	.	H	α-helix	trans	-64.7	-23.2	179.4	30.8	-37.6	0	0	0	111.7	N75 L215 A216	N75-P212 PolarHBondContact ND2-O 3.3Å; N75-P212 VanDerWaalsContact OD1-CB 3.26Å; N75-P212 WeakPolarHBondContact OD1-CB 3.45Å; N75-P212 WeakPolarHBondContact OD1-CG 3.34Å; P212-L215 PolarHBondContact O-N 2.94Å; P212-A216 WeakPolarHBondContact O-CB 3.35Å; P212-A216 PolarHBondContact O-N 3.41Å
213	L	91.9	Very high	89.8	Confident	39 Å²	39	51 Å²	51	20%	0.204	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-42.8	173.8	-58.9	173.3	0	0	0	112.1	T71 N75 T83 S211 S217	T71-L213 WeakPolarHBondContact OG1-CA 3.39Å; T71-L213 PolarHBondContact OG1-O 3.34Å; N75-L213 HydrophobicContact CB-CD2 3.73Å; T83-L213 HydrophobicContact CG2-CD1 3.73Å; T83-L213 HydrophobicContact CG2-CD2 4.1Å; S211-L213 PolarHBondContact O-N 3.45Å; S211-L213 PolarHBondContact OG-N 3.33Å; L213-S217 PolarHBondContact O-N 2.96Å; L213-S217 PolarHBondContact O-OG 2.89Å; L213-S217 VanDerWaalsContact O-OG 3.05Å
214	L	93.3	Very high	90.7	Very high	23 Å²	23	46.1 Å²	46.1	12%	0.12	25%	0.252	C	S	.	.	H	α-helix	trans	-77.3	-32.8	179.3	-61.7	178.4	0	0	0	112.3	P209 S211 S217 M219 E244	P209-L214 HydrophobicContact CB-CB 3.95Å; P209-L214 HydrophobicContact CB-CD1 3.83Å; P209-L214 HydrophobicContact CG-CD1 4.33Å; S211-L214 PolarHBondContact O-N 3.4Å; S211-L214 VanDerWaalsContact O-N 3.11Å; L214-S217 WeakPolarHBondContact CA-OG 3.46Å; L214-S217 PolarHBondContact O-OG 2.8Å; L214-M219 HydrophobicContact CD2-CE 3.63Å; L214-M219 HydrophobicContact CD2-SD 3.7Å; L214-M219 WeakPolarHBondContact O-CB 3.47Å; L214-M219 PolarHBondContact O-N 3.23Å; L214-M219 VanDerWaalsContact O-N 3.12Å; L214-E244 HydrophobicContact CD2-CB 4.5Å; L214-E244 HydrophobicContact CD2-CG 3.88Å
215	L	95.9	Very high	91.3	Very high	86 Å²	86	46.8 Å²	46.8	45%	0.45	26%	0.257	S	S	.	.	H	α-helix	trans	-70.5	-47.2	177.5	-68.1	175.2	0	0	0	111	P209 S211 P212 S217 G218 A220	P209-L215 WeakPolarHBondContact O-CD2 3.31Å; S211-L215 WeakPolarHBondContact O-CG 3.43Å; S211-L215 PolarHBondContact O-N 3.33Å; S211-L215 VanDerWaalsContact O-N 3.07Å; P212-L215 PolarHBondContact O-N 2.94Å; L215-S217 VanDerWaalsContact C-N 3.28Å; L215-S217 PolarHBondContact O-N 3.01Å; L215-G218 PolarHBondContact O-N 3.45Å; L215-A220 HydrophobicContact CD2-CB 3.56Å
216	A	97.3	Very high	92.1	Very high	24 Å²	24	45.9 Å²	45.9	20%	0.198	25%	0.252	C	S	.	.	H	α-helix	trans	-68.2	-24.6	-178.9	0	0	0	0	0	113.4	D74 P212 G218	D74-A216 HydrophobicContact CB-CB 3.87Å; P212-A216 WeakPolarHBondContact O-CB 3.35Å; P212-A216 PolarHBondContact O-N 3.41Å; A216-G218 VanDerWaalsContact C-N 3.3Å
217	S	97.6	Very high	92.8	Very high	11 Å²	11	45.5 Å²	45.5	8%	0.077	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	1.3	172.5	58.5	0	0	0	0	113.8	P156 L213 L214 L215 M219	P156-S217 WeakPolarHBondContact CA-O 3.31Å; P156-S217 VanDerWaalsContact CB-O 3.32Å; P156-S217 WeakPolarHBondContact CB-O 3.33Å; L213-S217 PolarHBondContact O-N 2.96Å; L213-S217 PolarHBondContact O-OG 2.89Å; L213-S217 VanDerWaalsContact O-OG 3.05Å; L214-S217 WeakPolarHBondContact CA-OG 3.46Å; L214-S217 PolarHBondContact O-OG 2.8Å; L215-S217 VanDerWaalsContact C-N 3.28Å; L215-S217 PolarHBondContact O-N 3.01Å; S217-M219 VanDerWaalsContact C-N 3.29Å; S217-M219 PolarHBondContact O-N 3.22Å; S217-M219 WeakPolarHBondContact OG-CG 3.26Å; S217-M219 PolarHBondContact OG-SD 3.02Å
218	G	97.7	Very high	94	Very high	21 Å²	21	40.9 Å²	40.9	22%	0.216	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	11.1	178.4	0	0	0	0	0	115.2	L215 A216 A220 R221	L215-G218 PolarHBondContact O-N 3.45Å; A216-G218 VanDerWaalsContact C-N 3.3Å; G218-A220 VanDerWaalsContact C-N 3.26Å; G218-A220 PolarHBondContact O-N 2.77Å; G218-R221 VanDerWaalsContact O-CG 3.26Å; G218-R221 WeakPolarHBondContact O-CG 3.5Å; G218-R221 PolarHBondContact O-N 2.97Å; G218-R221 PolarHBondContact O-NE 3.35Å
219	M	97.6	Very high	95	Very high	7 Å²	7	35 Å²	35	3%	0.034	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.3	-175.2	-63.4	165.6	67.6	0	0	112.9	P155 P156 L214 S217 R221 R227 E244 T294	P155-M219 HydrophobicContact CB-CB 4.38Å; P155-M219 HydrophobicContact CB-CE 4.17Å; P155-M219 HydrophobicContact CB-CG 4.15Å; P156-M219 HydrophobicContact CB-CG 4.31Å; P156-M219 HydrophobicContact CG-CG 3.74Å; P156-M219 HydrophobicContact CG-SD 4.1Å; L214-M219 HydrophobicContact CD2-CE 3.63Å; L214-M219 HydrophobicContact CD2-SD 3.7Å; L214-M219 WeakPolarHBondContact O-CB 3.47Å; L214-M219 PolarHBondContact O-N 3.23Å; L214-M219 VanDerWaalsContact O-N 3.12Å; S217-M219 VanDerWaalsContact C-N 3.29Å; S217-M219 PolarHBondContact O-N 3.22Å; S217-M219 WeakPolarHBondContact OG-CG 3.26Å; S217-M219 PolarHBondContact OG-SD 3.02Å; M219-R221 VanDerWaalsContact C-N 3.32Å; M219-R221 PolarHBondContact O-N 2.97Å; M219-R227 PolarHBondContact O-NH2 2.94Å; M219-E244 VanDerWaalsContact CE-CA 3.45Å; M219-E244 HydrophobicContact CE-CB 4.03Å; M219-E244 HydrophobicContact CE-CG 3.58Å; M219-E244 WeakPolarHBondContact CE-O 3.45Å; M219-T294 HydrophobicContact CE-CG2 3.95Å; M219-T294 HydrophobicContact SD-CG2 4.05Å
220	A	97.1	Very high	95.7	Very high	17 Å²	17	34.5 Å²	34.5	14%	0.14	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	3.6	179.5	0	0	0	0	0	115	P209 L215 G218 D222 W223	P209-A220 HydrophobicContact CB-CB 4.23Å; P209-A220 HydrophobicContact CG-CB 4.37Å; L215-A220 HydrophobicContact CD2-CB 3.56Å; G218-A220 VanDerWaalsContact C-N 3.26Å; G218-A220 PolarHBondContact O-N 2.77Å; A220-D222 PolarHBondContact O-N 3.23Å; A220-W223 PolarHBondContact O-N 3.44Å
221	R	97.7	Very high	96.2	Very high	88 Å²	88	28.7 Å²	28.7	33%	0.332	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	140.6	179.7	-74.5	176.9	-59.7	102.7	-2	111.8	P155 P156 H157 C158 R163 G218 M219 W223 R227	P155-R221 PolarHBondContact O-NH2 3Å; P156-R221 VanDerWaalsContact C-NH2 3.29Å; P156-R221 PolarHBondContact O-NH2 2.98Å; H157-R221 VanDerWaalsContact C-NH2 3.32Å; C158-R221 PolarHBondContact O-NH1 3.17Å; C158-R221 PolarHBondContact O-NH2 3.21Å; R163-R221 PolarHBondContact NH1-O 3.27Å; G218-R221 VanDerWaalsContact O-CG 3.26Å; G218-R221 WeakPolarHBondContact O-CG 3.5Å; G218-R221 PolarHBondContact O-N 2.97Å; G218-R221 PolarHBondContact O-NE 3.35Å; M219-R221 VanDerWaalsContact C-N 3.32Å; M219-R221 PolarHBondContact O-N 2.97Å; R221-W223 PolarHBondContact O-N 2.75Å; R221-W223 VanDerWaalsContact O-N 3.16Å; R221-R227 PolarHBondContact O-NH1 3.14Å; R221-R227 PolarHBondContact O-NH2 2.92Å
222	D	97.8	Very high	96.7	Very high	55 Å²	55	27.6 Å²	27.6	29%	0.294	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	19	176.5	-38.2	-81.1	0	0	0	115.9	R160 R163 A220 D225	R160-D222 WeakPolarHBondContact CD-OD1 3.18Å; R160-D222 HydrophobicContact CG-CB 4.04Å; R160-D222 VanDerWaalsContact CG-CG 3.41Å; R160-D222 WeakPolarHBondContact CG-OD2 3.39Å; R160-D222 IonicContact CZ-OD1 3.7Å; R160-D222 IonicContact NE-OD1 3.94Å; R160-D222 IonicContact NH1-OD1 2.72Å; R160-D222 PolarHBondContact NH1-OD1 2.88Å; R163-D222 IonicContact CZ-OD2 3.75Å; R163-D222 IonicContact NH1-OD2 2.89Å; R163-D222 PolarHBondContact NH1-OD2 3.41Å; R163-D222 IonicContact NH2-OD2 2.68Å; A220-D222 PolarHBondContact O-N 3.23Å; D222-D225 HydrophobicContact CB-CB 4.15Å; D222-D225 WeakPolarHBondContact O-CB 3.41Å; D222-D225 PolarHBondContact O-N 3.44Å
223	W	95.9	Very high	96.9	Very high	55 Å²	55	29.8 Å²	29.8	21%	0.208	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	135.8	179.3	-175.1	-84.8	0	0	0	112.9	L188 F206 D207 K208 P209 A220 R221 R227	L188-W223 HydrophobicContact CD1-CH2 3.5Å; L188-W223 HydrophobicContact CD1-CZ2 3.3Å; L188-W223 HydrophobicContact CD1-CZ3 4.39Å; F206-W223 AromaticContact CD2-CH2 3.58Å; F206-W223 HydrophobicContact CD2-CH2 3.58Å; F206-W223 HydrophobicContact CD2-CZ3 4.27Å; F206-W223 AromaticContact CE2-CH2 3.43Å; F206-W223 HydrophobicContact CE2-CH2 3.43Å; F206-W223 VanDerWaalsContact CE2-CH2 3.43Å; F206-W223 HydrophobicContact CE2-CZ2 4.48Å; F206-W223 AromaticContact CE2-CZ3 3.92Å; F206-W223 HydrophobicContact CE2-CZ3 3.92Å; D207-W223 WeakPolarHBondContact O-CH2 3.49Å; K208-W223 VanDerWaalsContact CA-CZ2 3.42Å; K208-W223 HydrophobicContact CB-CD2 4.3Å; K208-W223 HydrophobicContact CB-CG 4.46Å; K208-W223 HydrophobicContact CB-CZ2 4.1Å; K208-W223 HydrophobicContact CD-CG 4.26Å; K208-W223 HydrophobicContact CG-CD2 4.07Å; K208-W223 HydrophobicContact CG-CG 3.9Å; P209-W223 VanDerWaalsContact CD-CZ3 3.44Å; P209-W223 HydrophobicContact CG-CE3 4.4Å; P209-W223 HydrophobicContact CG-CZ3 4.16Å; A220-W223 PolarHBondContact O-N 3.44Å; R221-W223 PolarHBondContact O-N 2.75Å; R221-W223 VanDerWaalsContact O-N 3.16Å; W223-R227 HydrophobicContact CE3-CG 4.2Å; W223-R227 HydrophobicContact CZ3-CB 4.44Å; W223-R227 HydrophobicContact CZ3-CG 3.88Å
224	P	96.1	Very high	97.1	Very high	47 Å²	47	32.9 Å²	32.9	31%	0.305	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	cis	-97	24.5	3.2	38.5	-35.8	0	0	0	114.4	L188 K189 A226 R227	L188-P224 HydrophobicContact CB-CB 3.85Å; L188-P224 HydrophobicContact CD1-CB 4.46Å; K189-P224 HydrophobicContact CB-CG 4.22Å; P224-A226 PolarHBondContact O-N 3.31Å; P224-R227 PolarHBondContact O-N 3.02Å
225	D	98.1	Very high	97.3	Very high	32 Å²	32	35.1 Å²	35.1	17%	0.171	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	127.7	-175.7	-171.9	-96.9	0	0	0	112	R163 R164 D222 R227	R163-D225 WeakPolarHBondContact CD-O 3.22Å; R164-D225 IonicContact CZ-OD1 3.56Å; R164-D225 IonicContact CZ-OD2 3.41Å; R164-D225 IonicContact NE-OD1 2.86Å; R164-D225 PolarHBondContact NE-OD1 3.25Å; R164-D225 IonicContact NE-OD2 3.25Å; R164-D225 PolarHBondContact NE-OD2 3.34Å; R164-D225 IonicContact NH2-OD1 3.45Å; R164-D225 PolarHBondContact NH2-OD1 3.37Å; R164-D225 IonicContact NH2-OD2 2.73Å; R164-D225 PolarHBondContact NH2-OD2 3.4Å; D222-D225 HydrophobicContact CB-CB 4.15Å; D222-D225 WeakPolarHBondContact O-CB 3.41Å; D222-D225 PolarHBondContact O-N 3.44Å; D225-R227 VanDerWaalsContact C-N 3.26Å; D225-R227 WeakPolarHBondContact O-CD 3.48Å; D225-R227 PolarHBondContact O-N 3.23Å; D225-R227 PolarHBondContact O-NH1 3.06Å; D225-R227 VanDerWaalsContact O-NH1 3.13Å
226	A	98.3	Very high	97.3	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	28.4	179.3	0	0	0	0	0	115.6	R163 R164 E167 P224 N242	R163-A226 HydrophobicContact CB-CB 4.33Å; R163-A226 HydrophobicContact CG-CB 3.86Å; R164-A226 HydrophobicContact CB-CB 4.38Å; R164-A226 HydrophobicContact CG-CB 3.74Å; E167-A226 HydrophobicContact CB-CB 4.05Å; E167-A226 WeakPolarHBondContact OE2-CA 3.49Å; P224-A226 PolarHBondContact O-N 3.31Å; A226-N242 WeakPolarHBondContact O-CB 3.43Å; A226-N242 PolarHBondContact O-ND2 2.74Å
227	R	98.4	Very high	97.4	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.008	16%	0.164	C	C	.	.			trans	-110	147.6	172.2	-81.8	67.6	170.9	-136.5	-5	110.7	L188 F206 M219 R221 W223 P224 D225 V241 N242	L188-R227 HydrophobicContact CD1-CB 3.73Å; L188-R227 HydrophobicContact CG-CB 4.13Å; L188-R227 PolarHBondContact N-O 2.71Å; F206-R227 HydrophobicContact CE2-CB 4.33Å; F206-R227 HydrophobicContact CE2-CG 4.36Å; F206-R227 HydrophobicContact CZ-CB 4.31Å; M219-R227 PolarHBondContact O-NH2 2.94Å; R221-R227 PolarHBondContact O-NH1 3.14Å; R221-R227 PolarHBondContact O-NH2 2.92Å; W223-R227 HydrophobicContact CE3-CG 4.2Å; W223-R227 HydrophobicContact CZ3-CB 4.44Å; W223-R227 HydrophobicContact CZ3-CG 3.88Å; P224-R227 PolarHBondContact O-N 3.02Å; D225-R227 VanDerWaalsContact C-N 3.26Å; D225-R227 WeakPolarHBondContact O-CD 3.48Å; D225-R227 PolarHBondContact O-N 3.23Å; D225-R227 PolarHBondContact O-NH1 3.06Å; D225-R227 VanDerWaalsContact O-NH1 3.13Å; R227-V241 WeakPolarHBondContact CA-O 3.39Å; R227-N242 WeakPolarHBondContact CD-O 3.47Å; R227-N242 HydrophobicContact CG-CB 4.06Å; R227-N242 WeakPolarHBondContact CG-O 3.45Å; R227-N242 PolarHBondContact NE-O 2.9Å
228	G	97	Very high	97.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	178.2	175.8	0	0	0	0	0	112.6	Y185 Y186 F206 V241	Y185-G228 VanDerWaalsContact OH-CA 3.27Å; Y185-G228 WeakPolarHBondContact OH-CA 3.38Å; Y185-G228 PolarHBondContact OH-N 3.47Å; Y186-G228 WeakPolarHBondContact O-CA 3.31Å; F206-G228 WeakPolarHBondContact CE1-O 3.22Å; G228-V241 PolarHBondContact N-O 3.21Å; G228-V241 PolarHBondContact O-N 3.47Å
229	I	97.6	Very high	97.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	133.6	178.8	179.3	166	0	0	0	108.6	Y185 Y186 M191 L199 F204 L205 F206 L238	Y185-I229 WeakPolarHBondContact CD2-O 3.48Å; Y186-I229 HydrophobicContact CD2-CG2 4.47Å; Y186-I229 WeakPolarHBondContact CD2-O 3.35Å; Y186-I229 PolarHBondContact N-O 2.82Å; Y186-I229 PolarHBondContact O-N 2.89Å; M191-I229 HydrophobicContact CE-CG2 3.87Å; L199-I229 HydrophobicContact CD1-CG2 3.82Å; L199-I229 HydrophobicContact CD2-CD1 4.44Å; F204-I229 HydrophobicContact CB-CD1 3.97Å; F204-I229 WeakPolarHBondContact O-CD1 3.38Å; L205-I229 HydrophobicContact CD1-CG2 4.26Å; F206-I229 HydrophobicContact CE1-CB 4.44Å; I229-L238 HydrophobicContact CD1-CD2 4.12Å
230	W	98	Very high	97.5	Very high	2 Å²	2	31 Å²	31	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	144	163.2	179.1	97.8	0	0	0	108.3	L174 L177 L181 R184 Y185 N232 F237 L238 V239	L174-W230 HydrophobicContact CB-CD2 4.07Å; L174-W230 HydrophobicContact CB-CG 3.86Å; L174-W230 HydrophobicContact CD1-CB 3.76Å; L174-W230 HydrophobicContact CD1-CD2 4.42Å; L174-W230 HydrophobicContact CD1-CG 3.93Å; L174-W230 HydrophobicContact CD2-CD2 4.22Å; L174-W230 HydrophobicContact CD2-CE3 4.28Å; L174-W230 HydrophobicContact CG-CD2 4.47Å; L174-W230 HydrophobicContact CG-CG 4.33Å; L174-W230 PolarHBondContact O-NE1 3.37Å; L177-W230 HydrophobicContact CB-CZ2 4.44Å; L177-W230 HydrophobicContact CD1-CH2 3.78Å; L177-W230 HydrophobicContact CD1-CZ2 3.87Å; L177-W230 HydrophobicContact CD1-CZ3 4.44Å; L181-W230 WeakPolarHBondContact O-CH2 3.38Å; L181-W230 WeakPolarHBondContact O-CZ2 3.4Å; R184-W230 WeakPolarHBondContact O-CA 3.32Å; Y185-W230 HydrophobicContact CD2-CB 4.01Å; W230-N232 HydrophobicContact CH2-CB 3.92Å; W230-N232 HydrophobicContact CZ3-CB 4.43Å; W230-F237 AromaticContact CH2-CD1 3.89Å; W230-F237 HydrophobicContact CH2-CD1 3.89Å; W230-F237 AromaticContact CZ3-CD1 3.48Å; W230-F237 HydrophobicContact CZ3-CD1 3.48Å; W230-F237 VanDerWaalsContact CZ3-CD1 3.48Å; W230-F237 HydrophobicContact CZ3-CE1 4.08Å; W230-F237 HydrophobicContact CZ3-CG 4.4Å; W230-F237 WeakPolarHBondContact CZ3-O 3.24Å; W230-L238 CarbonylContact O-C 3.56Å; W230-L238 WeakPolarHBondContact O-CA 3.29Å; W230-V239 HydrophobicContact CB-CB 4.44Å; W230-V239 HydrophobicContact CE3-CB 4.33Å; W230-V239 HydrophobicContact CE3-CG2 4.01Å; W230-V239 HydrophobicContact CZ3-CG2 4.47Å; W230-V239 PolarHBondContact N-O 3.14Å; W230-V239 PolarHBondContact O-N 2.87Å
231	H	97.8	Very high	97.6	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.019	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.7	165.6	65.1	74.4	0	0	0	111.1	G183 R184 Y186 F237 L238	G183-H231 WeakPolarHBondContact CA-O 3.4Å; R184-H231 PolarHBondContact N-O 2.98Å; R184-H231 PolarHBondContact O-N 3.19Å; Y186-H231 AromaticContact CE2-CD2 3.63Å; Y186-H231 AromaticContact CE2-CE1 3.87Å; Y186-H231 AromaticContact CE2-NE2 3.23Å; Y186-H231 WeakPolarHBondContact CE2-NE2 3.36Å; Y186-H231 AromaticContact CZ-NE2 3.54Å; Y186-H231 PolarHBondContact OH-CE1 3.47Å; Y186-H231 VanDerWaalsContact OH-CE1 3.31Å; Y186-H231 PolarHBondContact OH-NE2 3.2Å; H231-F237 VanDerWaalsContact CA-O 3.29Å; H231-F237 WeakPolarHBondContact CA-O 3.5Å; H231-L238 HydrophobicContact CB-CB 4.26Å; H231-L238 HydrophobicContact CB-CD2 3.98Å; H231-L238 HydrophobicContact CB-CG 3.78Å
232	N	98.1	Very high	97.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	162.4	171.2	74	-26.3	0	0	0	111.3	D180 A182 W230 N234 K235 T236 F237	D180-N232 WeakPolarHBondContact O-CB 3.49Å; D180-N232 PolarHBondContact O-ND2 3.2Å; A182-N232 CarbonylContact O-C 3.52Å; A182-N232 WeakPolarHBondContact O-CA 3.35Å; A182-N232 WeakPolarHBondContact O-CB 3.31Å; W230-N232 HydrophobicContact CH2-CB 3.92Å; W230-N232 HydrophobicContact CZ3-CB 4.43Å; N232-N234 PolarHBondContact O-N 3.03Å; N232-K235 PolarHBondContact O-N 3.12Å; N232-K235 WeakPolarHBondContact OD1-CA 3.24Å; N232-K235 PolarHBondContact OD1-N 3Å; N232-T236 PolarHBondContact ND2-OG1 3.36Å; N232-T236 PolarHBondContact OD1-N 3.32Å; N232-F237 HydrophobicContact CB-CB 4.44Å; N232-F237 PolarHBondContact N-O 3.46Å; N232-F237 PolarHBondContact OD1-N 2.76Å; N232-F237 PolarHBondContact OD1-O 3Å
233	D	96.6	Very high	97.5	Very high	112 Å²	112	24.6 Å²	24.6	60%	0.599	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-34.3	-177.7	-69.3	-23.4	0	0	0	112.3	A182 K235	A182-D233 PolarHBondContact O-N 3.31Å; D233-K235 VanDerWaalsContact C-N 3.25Å; D233-K235 PolarHBondContact O-N 2.88Å
234	N	96.4	Very high	97.4	Very high	104 Å²	104	24 Å²	24	56%	0.556	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.6	178.2	-69.8	-28.2	0	0	0	114	D180 N232 T236	D180-N234 PolarHBondContact OD1-ND2 3.34Å; N232-N234 PolarHBondContact O-N 3.03Å; N234-T236 HydrophobicContact CB-CG2 4.34Å; N234-T236 WeakPolarHBondContact O-CG2 3.41Å; N234-T236 PolarHBondContact O-N 3.11Å
235	K	95.7	Very high	97.5	Very high	69 Å²	69	21.8 Å²	21.8	30%	0.3	11%	0.109	S	C	.	.	S	Bend	trans	57.1	31.3	179.9	-69.1	168	163.3	-164.1	0	113.6	D202 F204 N232 D233	D202-K235 IonicContact OD1-NZ 2.65Å; D202-K235 WeakPolarHBondContact OD2-CE 3.48Å; D202-K235 IonicContact OD2-NZ 3.87Å; D202-K235 PolarHBondContact OD2-NZ 3.29Å; F204-K235 HydrophobicContact CE2-CB 3.49Å; F204-K235 VanDerWaalsContact CE2-CB 3.49Å; F204-K235 HydrophobicContact CE2-CD 3.77Å; F204-K235 HydrophobicContact CE2-CG 3.66Å; F204-K235 HydrophobicContact CZ-CB 3.71Å; F204-K235 HydrophobicContact CZ-CG 4.38Å; F204-K235 WeakPolarHBondContact CZ-O 3.49Å; N232-K235 PolarHBondContact O-N 3.12Å; N232-K235 WeakPolarHBondContact OD1-CA 3.24Å; N232-K235 PolarHBondContact OD1-N 3Å; D233-K235 VanDerWaalsContact C-N 3.25Å; D233-K235 PolarHBondContact O-N 2.88Å
236	T	97.3	Very high	97.6	Very high	26 Å²	26	20.2 Å²	20.2	16%	0.16	10%	0.101	C	C	.	.	S	Bend	trans	-111.2	-8.7	-179.6	55.8	0	0	0	0	113.5	N232 N234 S251 M252 R264	N232-T236 PolarHBondContact ND2-OG1 3.36Å; N232-T236 PolarHBondContact OD1-N 3.32Å; N234-T236 HydrophobicContact CB-CG2 4.34Å; N234-T236 WeakPolarHBondContact O-CG2 3.41Å; N234-T236 PolarHBondContact O-N 3.11Å; T236-S251 WeakPolarHBondContact O-CA 3.21Å; T236-S251 PolarHBondContact O-OG 2.74Å; T236-M252 VanDerWaalsContact CA-O 3.26Å; T236-M252 WeakPolarHBondContact CA-O 3.39Å; T236-M252 WeakPolarHBondContact CB-O 3.21Å; T236-M252 PolarHBondContact O-N 2.81Å; T236-R264 PolarHBondContact O-NE 2.88Å; T236-R264 VanDerWaalsContact O-NE 3.09Å; T236-R264 PolarHBondContact OG1-NE 3.49Å
237	F	98.5	Very high	97.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	124.2	174.2	-168.7	-114.9	0	0	0	109.6	L177 L181 W230 H231 N232 V239 V249 I250 R264 I272	L177-F237 HydrophobicContact CD1-CE1 4.39Å; L181-F237 HydrophobicContact CD2-CB 4Å; L181-F237 HydrophobicContact CD2-CD1 3.73Å; L181-F237 HydrophobicContact CD2-CE1 4.38Å; L181-F237 HydrophobicContact CD2-CG 3.87Å; W230-F237 AromaticContact CH2-CD1 3.89Å; W230-F237 HydrophobicContact CH2-CD1 3.89Å; W230-F237 AromaticContact CZ3-CD1 3.48Å; W230-F237 HydrophobicContact CZ3-CD1 3.48Å; W230-F237 VanDerWaalsContact CZ3-CD1 3.48Å; W230-F237 HydrophobicContact CZ3-CE1 4.08Å; W230-F237 HydrophobicContact CZ3-CG 4.4Å; W230-F237 WeakPolarHBondContact CZ3-O 3.24Å; H231-F237 VanDerWaalsContact CA-O 3.29Å; H231-F237 WeakPolarHBondContact CA-O 3.5Å; N232-F237 HydrophobicContact CB-CB 4.44Å; N232-F237 PolarHBondContact N-O 3.46Å; N232-F237 PolarHBondContact OD1-N 2.76Å; N232-F237 PolarHBondContact OD1-O 3Å; F237-V239 HydrophobicContact CE1-CG2 4.31Å; F237-V249 HydrophobicContact CE1-CG1 4.4Å; F237-V249 HydrophobicContact CE2-CG1 3.49Å; F237-V249 VanDerWaalsContact CE2-CG1 3.49Å; F237-V249 HydrophobicContact CZ-CG1 3.34Å; F237-I250 CarbonylContact C-O 3.59Å; F237-I250 WeakPolarHBondContact CA-O 3.36Å; F237-I250 VanDerWaalsContact CD2-O 3.31Å; F237-I250 WeakPolarHBondContact CD2-O 3.23Å; F237-R264 HydrophobicContact CB-CG 4.42Å; F237-R264 HydrophobicContact CD2-CG 4.44Å; F237-I272 HydrophobicContact CE1-CD1 3.98Å; F237-I272 HydrophobicContact CZ-CD1 3.99Å
238	L	98.1	Very high	97.6	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.2	-172.8	-51.5	92.4	0	0	0	110.5	F204 I229 W230 H231 I250 M252	F204-L238 HydrophobicContact CB-CD2 3.54Å; F204-L238 HydrophobicContact CD1-CD1 4.42Å; F204-L238 HydrophobicContact CD1-CD2 3.46Å; F204-L238 VanDerWaalsContact CD1-CD2 3.46Å; F204-L238 HydrophobicContact CD2-CD2 3.76Å; F204-L238 HydrophobicContact CE1-CD1 4.39Å; F204-L238 HydrophobicContact CE1-CD2 4.07Å; F204-L238 HydrophobicContact CE2-CD2 4.33Å; F204-L238 HydrophobicContact CG-CD2 3.3Å; F204-L238 HydrophobicContact CZ-CD2 4.47Å; I229-L238 HydrophobicContact CD1-CD2 4.12Å; W230-L238 CarbonylContact O-C 3.56Å; W230-L238 WeakPolarHBondContact O-CA 3.29Å; H231-L238 HydrophobicContact CB-CB 4.26Å; H231-L238 HydrophobicContact CB-CD2 3.98Å; H231-L238 HydrophobicContact CB-CG 3.78Å; L238-I250 HydrophobicContact CB-CB 4.24Å; L238-I250 HydrophobicContact CD1-CG2 4.19Å; L238-I250 PolarHBondContact N-O 2.98Å; L238-I250 PolarHBondContact O-N 3.4Å; L238-M252 HydrophobicContact CD1-CG 3.84Å; L238-M252 HydrophobicContact CD1-SD 3.95Å
239	V	98.5	Very high	97.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	116.8	174	-175.1	0	0	0	0	109.4	L174 W230 F237 V241 L247 R248 V249 I272	L174-V239 HydrophobicContact CD1-CB 4.04Å; L174-V239 HydrophobicContact CD1-CG1 4.04Å; L174-V239 HydrophobicContact CD1-CG2 4.47Å; L174-V239 HydrophobicContact CD2-CB 4.24Å; L174-V239 HydrophobicContact CD2-CG2 3.75Å; W230-V239 HydrophobicContact CB-CB 4.44Å; W230-V239 HydrophobicContact CE3-CB 4.33Å; W230-V239 HydrophobicContact CE3-CG2 4.01Å; W230-V239 HydrophobicContact CZ3-CG2 4.47Å; W230-V239 PolarHBondContact N-O 3.14Å; W230-V239 PolarHBondContact O-N 2.87Å; F237-V239 HydrophobicContact CE1-CG2 4.31Å; V239-V241 HydrophobicContact CG1-CG2 4.36Å; V239-L247 HydrophobicContact CG1-CB 4.28Å; V239-L247 HydrophobicContact CG1-CD2 3.96Å; V239-R248 CarbonylContact C-O 3.5Å; V239-R248 VanDerWaalsContact CA-O 3.28Å; V239-R248 WeakPolarHBondContact CA-O 3.29Å; V239-V249 HydrophobicContact CG1-CG2 4.29Å; V239-V249 HydrophobicContact CG2-CG1 4.34Å; V239-V249 HydrophobicContact CG2-CG2 4.21Å; V239-I272 HydrophobicContact CG2-CD1 4.2Å
240	W	98.4	Very high	97.7	Very high	35 Å²	35	20.8 Å²	20.8	13%	0.133	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	136.5	167.4	-55.1	-18.7	0	0	0	109.3	F204 F206 L247 R248 I250	F204-W240 VanDerWaalsContact O-CE2 3.32Å; F204-W240 WeakPolarHBondContact O-CZ2 3.44Å; F204-W240 PolarHBondContact O-NE1 2.99Å; F206-W240 HydrophobicContact CB-CD2 4.11Å; F206-W240 HydrophobicContact CB-CE3 3.91Å; F206-W240 HydrophobicContact CB-CH2 3.89Å; F206-W240 HydrophobicContact CB-CZ2 4.08Å; F206-W240 HydrophobicContact CB-CZ3 3.81Å; F206-W240 HydrophobicContact CD1-CB 3.76Å; F206-W240 AromaticContact CD1-CD1 3.61Å; F206-W240 AromaticContact CD1-CD2 3.45Å; F206-W240 HydrophobicContact CD1-CD2 3.45Å; F206-W240 VanDerWaalsContact CD1-CD2 3.45Å; F206-W240 AromaticContact CD1-CE2 3.76Å; F206-W240 AromaticContact CD1-CE3 3.96Å; F206-W240 HydrophobicContact CD1-CE3 3.96Å; F206-W240 AromaticContact CD1-CG 3.36Å; F206-W240 HydrophobicContact CD1-CG 3.36Å; F206-W240 HydrophobicContact CD1-CZ2 4.48Å; F206-W240 AromaticContact CD1-NE1 3.83Å; F206-W240 HydrophobicContact CE1-CB 3.54Å; F206-W240 AromaticContact CE1-CD1 3.86Å; F206-W240 HydrophobicContact CE1-CD2 4.19Å; F206-W240 AromaticContact CE1-CG 3.61Å; F206-W240 HydrophobicContact CE1-CG 3.61Å; F206-W240 HydrophobicContact CG-CD2 4.07Å; F206-W240 HydrophobicContact CG-CE3 4.14Å; F206-W240 HydrophobicContact CG-CG 4.36Å; F206-W240 HydrophobicContact CZ-CB 4.35Å; W240-L247 CarbonylContact O-C 3.56Å; W240-L247 WeakPolarHBondContact O-CA 3.48Å; W240-R248 HydrophobicContact CB-CB 4.08Å; W240-R248 HydrophobicContact CE3-CB 4.27Å; W240-R248 HydrophobicContact CE3-CG 4.37Å; W240-R248 HydrophobicContact CG-CB 4.47Å; W240-R248 PolarHBondContact N-O 2.89Å; W240-R248 PolarHBondContact O-N 2.89Å; W240-I250 HydrophobicContact CD2-CD1 4.04Å; W240-I250 HydrophobicContact CG-CD1 4.36Å; W240-I250 HydrophobicContact CZ2-CD1 4.23Å
241	V	98.7	Very high	97.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.5	-176.5	-176.8	0	0	0	0	109.2	E167 A170 L174 Y185 R227 G228 V239 E243 H246 L247	E167-V241 HydrophobicContact CB-CG1 4.33Å; A170-V241 HydrophobicContact CB-CG1 4.11Å; A170-V241 HydrophobicContact CB-CG2 4.19Å; L174-V241 HydrophobicContact CD1-CG2 4.48Å; Y185-V241 HydrophobicContact CE2-CB 4.22Å; Y185-V241 HydrophobicContact CE2-CG2 3.91Å; R227-V241 WeakPolarHBondContact CA-O 3.39Å; G228-V241 PolarHBondContact N-O 3.21Å; G228-V241 PolarHBondContact O-N 3.47Å; V239-V241 HydrophobicContact CG1-CG2 4.36Å; V241-E243 PolarHBondContact O-N 2.73Å; V241-H246 WeakPolarHBondContact CA-O 3.44Å; V241-L247 HydrophobicContact CG1-CD2 4.48Å; V241-L247 HydrophobicContact CG2-CD2 4.09Å
242	N	98.5	Very high	97.7	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.011	11%	0.11	C	C	.	.	S	Bend	trans	59.9	35.9	176.4	-66.7	-46.8	0	0	0	116.2	R163 I166 A226 R227 H246	R163-N242 HydrophobicContact CG-CB 3.85Å; R163-N242 VanDerWaalsContact CG-CG 3.5Å; R163-N242 WeakPolarHBondContact CG-ND2 3.3Å; R163-N242 PolarHBondContact O-ND2 2.79Å; I166-N242 VanDerWaalsContact CG2-OD1 3.25Å; I166-N242 WeakPolarHBondContact CG2-OD1 3.33Å; A226-N242 WeakPolarHBondContact O-CB 3.43Å; A226-N242 PolarHBondContact O-ND2 2.74Å; R227-N242 WeakPolarHBondContact CD-O 3.47Å; R227-N242 HydrophobicContact CG-CB 4.06Å; R227-N242 WeakPolarHBondContact CG-O 3.45Å; R227-N242 PolarHBondContact NE-O 2.9Å; N242-H246 PolarHBondContact N-O 3.31Å
243	E	95.1	Very high	97.6	Very high	23 Å²	23	23.9 Å²	23.9	11%	0.107	12%	0.118	C	C	.	.	S	Bend	trans	-86	-105	172.3	-166	-86.6	149	0	0	110	F206 V241 D245	F206-E243 HydrophobicContact CB-CG 4.1Å; F206-E243 HydrophobicContact CD1-CG 4.49Å; F206-E243 HydrophobicContact CD2-CB 3.81Å; F206-E243 HydrophobicContact CD2-CG 3.19Å; F206-E243 HydrophobicContact CE2-CB 3.68Å; F206-E243 HydrophobicContact CE2-CG 3.59Å; F206-E243 HydrophobicContact CG-CB 4.3Å; F206-E243 HydrophobicContact CG-CG 3.7Å; F206-E243 HydrophobicContact CZ-CB 4.1Å; F206-E243 HydrophobicContact CZ-CG 4.4Å; V241-E243 PolarHBondContact O-N 2.73Å; E243-D245 PolarHBondContact N-O 3.1Å
244	E	94.9	Very high	97.5	Very high	43 Å²	43	26.5 Å²	26.5	20%	0.201	12%	0.124	C	C	.	.	S	Bend	trans	-81.3	-24.3	177.3	-171.2	-174	175.6	0	0	112.7	L214 M219 R248 T294	L214-E244 HydrophobicContact CD2-CB 4.5Å; L214-E244 HydrophobicContact CD2-CG 3.88Å; M219-E244 VanDerWaalsContact CE-CA 3.45Å; M219-E244 HydrophobicContact CE-CB 4.03Å; M219-E244 HydrophobicContact CE-CG 3.58Å; M219-E244 WeakPolarHBondContact CE-O 3.45Å; E244-R248 IonicContact OE1-NH2 2.74Å; E244-R248 IonicContact OE2-CZ 2.71Å; E244-R248 IonicContact OE2-NE 3.9Å; E244-R248 IonicContact OE2-NH2 3.28Å; E244-R248 PolarHBondContact OE2-NH2 2.83Å; E244-T294 PolarHBondContact O-OG1 3.01Å; E244-T294 VanDerWaalsContact O-OG1 3.05Å
245	D	98.5	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-138.6	173.4	176.2	-66.9	-67.5	0	0	0	108.6	E243 L247 R248 L293 T294	E243-D245 PolarHBondContact N-O 3.1Å; D245-L247 VanDerWaalsContact C-N 3.28Å; D245-L247 PolarHBondContact O-N 2.75Å; D245-R248 IonicContact OD2-CZ 3.64Å; D245-R248 IonicContact OD2-NE 3.93Å; D245-R248 PolarHBondContact OD2-NE 2.93Å; D245-R248 VanDerWaalsContact OD2-NE 3.1Å; D245-R248 IonicContact OD2-NH1 2.73Å; D245-R248 IonicContact OD2-NH2 3.74Å; D245-R248 PolarHBondContact OD2-NH2 3.48Å; D245-L293 HydrophobicContact CB-CD2 4.06Å; D245-L293 WeakPolarHBondContact OD1-CB 3.4Å; D245-T294 WeakPolarHBondContact OD1-CB 3.36Å; D245-T294 PolarHBondContact OD1-N 3.4Å; D245-T294 PolarHBondContact OD1-OG1 2.87Å
246	H	98.8	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-57.9	-45.8	178.8	-63.8	-178.5	0	0	0	110.8	I149 C153 I166 V241 N242	I149-H246 HydrophobicContact CD1-CB 4.39Å; I149-H246 PolarHBondContact N-ND1 3.28Å; C153-H246 PolarHBondContact O-NE2 2.73Å; I166-H246 HydrophobicContact CG2-CB 3.92Å; V241-H246 WeakPolarHBondContact CA-O 3.44Å; N242-H246 PolarHBondContact N-O 3.31Å
247	L	98.8	Very high	97.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.1	176	-55.3	174.4	0	0	0	110.4	G146 R147 A170 V239 W240 V241 D245 V249 F276 F283	G146-L247 CarbonylContact C-O 3.45Å; G146-L247 WeakPolarHBondContact CA-O 3.23Å; R147-L247 HydrophobicContact CB-CB 4.37Å; R147-L247 PolarHBondContact N-O 3.03Å; R147-L247 PolarHBondContact O-N 2.91Å; A170-L247 HydrophobicContact CB-CD2 3.74Å; V239-L247 HydrophobicContact CG1-CB 4.28Å; V239-L247 HydrophobicContact CG1-CD2 3.96Å; W240-L247 CarbonylContact O-C 3.56Å; W240-L247 WeakPolarHBondContact O-CA 3.48Å; V241-L247 HydrophobicContact CG1-CD2 4.48Å; V241-L247 HydrophobicContact CG2-CD2 4.09Å; D245-L247 VanDerWaalsContact C-N 3.28Å; D245-L247 PolarHBondContact O-N 2.75Å; L247-V249 HydrophobicContact CB-CG2 4.42Å; L247-F276 HydrophobicContact CD1-CE2 3.55Å; L247-F276 HydrophobicContact CD1-CZ 3.79Å; L247-F283 HydrophobicContact CD1-CE1 4.1Å; L247-F283 HydrophobicContact CD1-CZ 4.49Å
248	R	98.4	Very high	97.7	Very high	9 Å²	9	20.3 Å²	20.3	3%	0.034	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	109.3	159.4	-67.2	-70.7	-168	164.4	-5.4	108.9	T145 V239 W240 E244 D245 N298	T145-R248 CarbonylContact O-C 3.56Å; T145-R248 VanDerWaalsContact O-CA 3.31Å; T145-R248 WeakPolarHBondContact O-CA 3.28Å; V239-R248 CarbonylContact C-O 3.5Å; V239-R248 VanDerWaalsContact CA-O 3.28Å; V239-R248 WeakPolarHBondContact CA-O 3.29Å; W240-R248 HydrophobicContact CB-CB 4.08Å; W240-R248 HydrophobicContact CE3-CB 4.27Å; W240-R248 HydrophobicContact CE3-CG 4.37Å; W240-R248 HydrophobicContact CG-CB 4.47Å; W240-R248 PolarHBondContact N-O 2.89Å; W240-R248 PolarHBondContact O-N 2.89Å; E244-R248 IonicContact OE1-NH2 2.74Å; E244-R248 IonicContact OE2-CZ 2.71Å; E244-R248 IonicContact OE2-NE 3.9Å; E244-R248 IonicContact OE2-NH2 3.28Å; E244-R248 PolarHBondContact OE2-NH2 2.83Å; D245-R248 IonicContact OD2-CZ 3.64Å; D245-R248 IonicContact OD2-NE 3.93Å; D245-R248 PolarHBondContact OD2-NE 2.93Å; D245-R248 VanDerWaalsContact OD2-NE 3.1Å; D245-R248 IonicContact OD2-NH1 2.73Å; D245-R248 IonicContact OD2-NH2 3.74Å; D245-R248 PolarHBondContact OD2-NH2 3.48Å; R248-N298 PolarHBondContact NH2-ND2 3.29Å; R248-N298 VanDerWaalsContact NH2-ND2 3.14Å
249	V	98.6	Very high	97.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.7	-178.7	-176.9	0	0	0	0	109.2	R144 T145 F237 V239 L247 L269 I272	R144-V249 CarbonylContact C-O 3.53Å; R144-V249 VanDerWaalsContact CA-O 3.22Å; R144-V249 WeakPolarHBondContact CA-O 3.18Å; T145-V249 HydrophobicContact CG2-CB 4.44Å; T145-V249 PolarHBondContact N-O 3.4Å; T145-V249 PolarHBondContact O-N 3.15Å; F237-V249 HydrophobicContact CE1-CG1 4.4Å; F237-V249 HydrophobicContact CE2-CG1 3.49Å; F237-V249 VanDerWaalsContact CE2-CG1 3.49Å; F237-V249 HydrophobicContact CZ-CG1 3.34Å; V239-V249 HydrophobicContact CG1-CG2 4.29Å; V239-V249 HydrophobicContact CG2-CG1 4.34Å; V239-V249 HydrophobicContact CG2-CG2 4.21Å; L247-V249 HydrophobicContact CB-CG2 4.42Å; V249-L269 HydrophobicContact CB-CD2 3.89Å; V249-L269 HydrophobicContact CB-CG 4.44Å; V249-L269 HydrophobicContact CG1-CD2 3.9Å; V249-L269 HydrophobicContact CG1-CG 3.99Å; V249-L269 HydrophobicContact CG2-CD2 3.81Å; V249-I272 HydrophobicContact CG1-CD1 4.49Å; V249-I272 HydrophobicContact CG2-CD1 4.41Å
250	I	98.6	Very high	97.7	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	129.3	-168.3	-60.2	158.7	0	0	0	108.8	R142 V143 R144 F237 L238 W240 M252	R142-I250 HydrophobicContact CG-CG2 4.19Å; R142-I250 VanDerWaalsContact NH2-CG1 3.35Å; V143-I250 CarbonylContact O-C 3.58Å; V143-I250 WeakPolarHBondContact O-CA 3.28Å; R144-I250 HydrophobicContact CB-CG1 3.88Å; F237-I250 CarbonylContact C-O 3.59Å; F237-I250 WeakPolarHBondContact CA-O 3.36Å; F237-I250 VanDerWaalsContact CD2-O 3.31Å; F237-I250 WeakPolarHBondContact CD2-O 3.23Å; L238-I250 HydrophobicContact CB-CB 4.24Å; L238-I250 HydrophobicContact CD1-CG2 4.19Å; L238-I250 PolarHBondContact N-O 2.98Å; L238-I250 PolarHBondContact O-N 3.4Å; W240-I250 HydrophobicContact CD2-CD1 4.04Å; W240-I250 HydrophobicContact CG-CD1 4.36Å; W240-I250 HydrophobicContact CZ2-CD1 4.23Å; I250-M252 HydrophobicContact CG2-CG 4.33Å; I250-M252 HydrophobicContact CG2-SD 4.1Å
251	S	98.6	Very high	97.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.7	162.2	-176.6	0	0	0	0	108.4	R142 V143 T236 V261 R264	R142-S251 CarbonylContact C-O 3.58Å; R142-S251 WeakPolarHBondContact CA-O 2.86Å; V143-S251 PolarHBondContact N-O 3.11Å; V143-S251 PolarHBondContact O-N 3.2Å; V143-S251 VanDerWaalsContact O-O 3.13Å; T236-S251 WeakPolarHBondContact O-CA 3.21Å; T236-S251 PolarHBondContact O-OG 2.74Å; S251-V261 VanDerWaalsContact CB-O 3.25Å; S251-V261 WeakPolarHBondContact CB-O 3.29Å; S251-V261 VanDerWaalsContact O-CG1 3.27Å; S251-V261 WeakPolarHBondContact O-CG1 3.29Å; S251-V261 PolarHBondContact OG-O 2.95Å; S251-R264 PolarHBondContact OG-NE 2.87Å; S251-R264 PolarHBondContact OG-NH2 2.87Å
252	M	97.3	Very high	97.8	Very high	34 Å²	34	25.5 Å²	25.5	17%	0.167	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	156.5	177.6	59.4	-170.3	-71.5	0	0	112.3	S141 R142 F204 T236 L238 I250 R264	S141-M252 VanDerWaalsContact O-CA 3.28Å; S141-M252 WeakPolarHBondContact O-CA 3.29Å; R142-M252 HydrophobicContact CB-CB 3.88Å; R142-M252 HydrophobicContact CG-CB 3.92Å; F204-M252 HydrophobicContact CD1-CE 4.48Å; F204-M252 HydrophobicContact CD1-SD 4.13Å; F204-M252 HydrophobicContact CE1-CE 3.95Å; F204-M252 HydrophobicContact CE1-SD 3.83Å; T236-M252 VanDerWaalsContact CA-O 3.26Å; T236-M252 WeakPolarHBondContact CA-O 3.39Å; T236-M252 WeakPolarHBondContact CB-O 3.21Å; T236-M252 PolarHBondContact O-N 2.81Å; L238-M252 HydrophobicContact CD1-CG 3.84Å; L238-M252 HydrophobicContact CD1-SD 3.95Å; I250-M252 HydrophobicContact CG2-CG 4.33Å; I250-M252 HydrophobicContact CG2-SD 4.1Å; M252-R264 PolarHBondContact O-NH2 3.33Å
253	Q	95.6	Very high	97.8	Very high	36 Å²	36	27.9 Å²	27.9	17%	0.168	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	167.1	168.9	70.6	-163.2	63.5	0	0	111.1	S140 S141 E260 V261	S140-Q253 VanDerWaalsContact CA-O 3.3Å; S140-Q253 WeakPolarHBondContact CA-O 3.19Å; S140-Q253 VanDerWaalsContact CB-O 3.31Å; S140-Q253 WeakPolarHBondContact CB-O 3.5Å; S141-Q253 PolarHBondContact N-O 2.99Å; S141-Q253 PolarHBondContact O-N 3.17Å; Q253-E260 PolarHBondContact NE2-OE2 3.45Å; Q253-V261 HydrophobicContact CB-CG2 4.31Å; Q253-V261 HydrophobicContact CG-CG2 3.46Å; Q253-V261 VanDerWaalsContact CG-CG2 3.46Å; Q253-V261 VanDerWaalsContact OE1-CG2 3.3Å
254	K	95.1	Very high	98	Very high	167 Å²	167	27.6 Å²	27.6	73%	0.726	14%	0.136	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	152.2	169.9	-64.2	-66.7	-176.4	-179.2	0	110.6
255	G	96.3	Very high	98.1	Very high	17 Å²	17	25.6 Å²	25.6	18%	0.175	13%	0.127	C	C	.	.	S	Bend	trans	76.7	-167.3	-178.4	0	0	0	0	0	114.3	L139 S140 S141	L139-G255 PolarHBondContact O-N 3.25Å; S140-G255 CarbonylContact C-O 3.56Å; S141-G255 PolarHBondContact N-O 3.46Å; S141-G255 PolarHBondContact OG-O 2.79Å
256	G	97.4	Very high	98.1	Very high	7 Å²	7	25.7 Å²	25.7	7%	0.072	13%	0.127	C	C	.	.	S	Bend	trans	-105.8	11.4	-163.8	0	0	0	0	0	117.4	L133 M258	L133-G256 VanDerWaalsContact CB-O 3.28Å; L133-G256 WeakPolarHBondContact CB-O 3.02Å; L133-G256 VanDerWaalsContact CG-O 3.31Å; L133-G256 WeakPolarHBondContact CG-O 3.47Å; L133-G256 PolarHBondContact N-O 3.09Å; L133-G256 WeakPolarHBondContact O-CA 2.97Å; G256-M258 VanDerWaalsContact C-N 3.25Å; G256-M258 PolarHBondContact O-N 2.94Å
257	N	98.6	Very high	98.1	Very high	45 Å²	45	28.6 Å²	28.6	24%	0.241	15%	0.145	C	C	.	.			trans	-79.8	72.4	178.4	-167.1	-12	0	0	0	111.3	G130 D131 K259 E260 V261	G130-N257 CarbonylContact O-C 3.53Å; D131-N257 WeakPolarHBondContact CA-OD1 3.42Å; N257-K259 VanDerWaalsContact C-N 3.26Å; N257-K259 PolarHBondContact O-N 3.05Å; N257-E260 HydrophobicContact CB-CB 4.23Å; N257-E260 WeakPolarHBondContact ND2-CB 3.41Å; N257-E260 PolarHBondContact ND2-OE2 3.02Å; N257-E260 PolarHBondContact O-N 3.37Å; N257-E260 VanDerWaalsContact OD1-CB 3.31Å; N257-E260 WeakPolarHBondContact OD1-CB 3.49Å; N257-E260 PolarHBondContact OD1-N 3.25Å; N257-V261 WeakPolarHBondContact O-CG2 3.45Å; N257-V261 PolarHBondContact O-N 2.98Å
258	M	98.8	Very high	98.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-33.8	176.6	-176.4	60.6	72.3	0	0	112	G130 L133 V143 G256 V261 F262 G306 V307 V362 V365 V366	G130-M258 WeakPolarHBondContact O-CA 3.4Å; G130-M258 WeakPolarHBondContact O-CB 3.27Å; G130-M258 PolarHBondContact O-N 3.04Å; L133-M258 HydrophobicContact CD1-CB 4.07Å; V143-M258 HydrophobicContact CG2-SD 3.63Å; G256-M258 VanDerWaalsContact C-N 3.25Å; G256-M258 PolarHBondContact O-N 2.94Å; M258-V261 PolarHBondContact O-N 3.38Å; M258-F262 WeakPolarHBondContact O-CB 3.46Å; M258-F262 PolarHBondContact O-N 3.32Å; M258-G306 WeakPolarHBondContact CE-O 3.23Å; M258-V307 HydrophobicContact CE-CG1 3.77Å; M258-V362 HydrophobicContact CG-CG1 3.87Å; M258-V362 HydrophobicContact SD-CG1 4.49Å; M258-V365 HydrophobicContact CE-CG1 4.34Å; M258-V366 HydrophobicContact CB-CG2 4.19Å; M258-V366 HydrophobicContact CG-CG2 3.97Å
259	K	98.8	Very high	98	Very high	59 Å²	59	28.1 Å²	28.1	26%	0.257	14%	0.144	S	C	.	.	H	α-helix	trans	-61.9	-47.1	178.4	-176.5	158	-175.4	157.3	0	111.7	L127 G129 G130 D131 N257 V261 F262 T263	L127-K259 HydrophobicContact CD2-CB 4.06Å; L127-K259 HydrophobicContact CD2-CG 4.2Å; L127-K259 PolarHBondContact O-NZ 3.39Å; G129-K259 WeakPolarHBondContact O-CD 3.38Å; G130-K259 PolarHBondContact O-N 2.91Å; D131-K259 HydrophobicContact CB-CB 4.16Å; N257-K259 VanDerWaalsContact C-N 3.26Å; N257-K259 PolarHBondContact O-N 3.05Å; K259-V261 PolarHBondContact O-N 3.08Å; K259-F262 PolarHBondContact O-N 3.46Å; K259-T263 WeakPolarHBondContact O-CB 3.35Å; K259-T263 PolarHBondContact O-N 2.97Å; K259-T263 PolarHBondContact O-OG1 3Å
260	E	98.8	Very high	97.9	Very high	88 Å²	88	31.5 Å²	31.5	41%	0.411	16%	0.164	S	C	.	.	H	α-helix	trans	-62.4	-42.9	175.5	-176.2	-175.1	179	0	0	112.3	Q253 N257 F262 T263 R264	Q253-E260 PolarHBondContact NE2-OE2 3.45Å; N257-E260 HydrophobicContact CB-CB 4.23Å; N257-E260 WeakPolarHBondContact ND2-CB 3.41Å; N257-E260 PolarHBondContact ND2-OE2 3.02Å; N257-E260 PolarHBondContact O-N 3.37Å; N257-E260 VanDerWaalsContact OD1-CB 3.31Å; N257-E260 WeakPolarHBondContact OD1-CB 3.49Å; N257-E260 PolarHBondContact OD1-N 3.25Å; E260-F262 VanDerWaalsContact C-N 3.3Å; E260-F262 PolarHBondContact O-N 2.71Å; E260-T263 PolarHBondContact O-N 3.33Å; E260-R264 PolarHBondContact O-N 2.99Å; E260-R264 IonicContact OE1-NH1 3.9Å
261	V	98.8	Very high	97.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.6	-46.2	173.9	175.3	0	0	0	0	110.9	V143 S251 Q253 N257 M258 K259 F265	V143-V261 HydrophobicContact CB-CG1 4.2Å; V143-V261 HydrophobicContact CG2-CG1 3.83Å; S251-V261 VanDerWaalsContact CB-O 3.25Å; S251-V261 WeakPolarHBondContact CB-O 3.29Å; S251-V261 VanDerWaalsContact O-CG1 3.27Å; S251-V261 WeakPolarHBondContact O-CG1 3.29Å; S251-V261 PolarHBondContact OG-O 2.95Å; Q253-V261 HydrophobicContact CB-CG2 4.31Å; Q253-V261 HydrophobicContact CG-CG2 3.46Å; Q253-V261 VanDerWaalsContact CG-CG2 3.46Å; Q253-V261 VanDerWaalsContact OE1-CG2 3.3Å; N257-V261 WeakPolarHBondContact O-CG2 3.45Å; N257-V261 PolarHBondContact O-N 2.98Å; M258-V261 PolarHBondContact O-N 3.38Å; K259-V261 PolarHBondContact O-N 3.08Å; V261-F265 WeakPolarHBondContact O-CB 3.5Å; V261-F265 PolarHBondContact O-N 2.69Å
262	F	98.8	Very high	97.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-71.5	-37.9	-178.1	-173.6	-123.6	0	0	0	112.8	P124 L127 V143 M258 K259 E260 F265 C266 L303 E358 V359 V362	P124-F262 HydrophobicContact CB-CD1 4.03Å; P124-F262 HydrophobicContact CB-CE1 4.31Å; L127-F262 HydrophobicContact CB-CD1 4.35Å; L127-F262 HydrophobicContact CD2-CB 4.35Å; L127-F262 HydrophobicContact CD2-CD1 3.99Å; V143-F262 HydrophobicContact CG1-CD2 4.28Å; V143-F262 HydrophobicContact CG2-CB 4.48Å; V143-F262 HydrophobicContact CG2-CD2 4.39Å; M258-F262 WeakPolarHBondContact O-CB 3.46Å; M258-F262 PolarHBondContact O-N 3.32Å; K259-F262 PolarHBondContact O-N 3.46Å; E260-F262 VanDerWaalsContact C-N 3.3Å; E260-F262 PolarHBondContact O-N 2.71Å; F262-F265 AromaticContact CD2-CD1 3.93Å; F262-F265 HydrophobicContact CD2-CD1 3.93Å; F262-F265 AromaticContact CE2-CD1 3.95Å; F262-F265 HydrophobicContact CE2-CD1 3.95Å; F262-F265 HydrophobicContact CE2-CE1 4.31Å; F262-F265 WeakPolarHBondContact O-CB 3.33Å; F262-F265 PolarHBondContact O-N 3.3Å; F262-C266 WeakPolarHBondContact CE2-SG 3.07Å; F262-C266 WeakPolarHBondContact CZ-SG 3.08Å; F262-C266 PolarHBondContact O-N 3.3Å; F262-C266 PolarHBondContact O-SG 2.9Å; F262-L303 HydrophobicContact CE2-CD1 4.2Å; F262-E358 HydrophobicContact CE2-CB 4.13Å; F262-E358 HydrophobicContact CZ-CB 4.03Å; F262-V359 HydrophobicContact CE1-CG2 3.79Å; F262-V359 HydrophobicContact CZ-CG2 4.02Å; F262-V362 HydrophobicContact CB-CG1 4.38Å; F262-V362 HydrophobicContact CD1-CG1 4.46Å; F262-V362 HydrophobicContact CD2-CG2 3.67Å; F262-V362 HydrophobicContact CE2-CG2 3.69Å; F262-V362 HydrophobicContact CG-CG1 4.22Å; F262-V362 HydrophobicContact CG-CG2 4.13Å; F262-V362 HydrophobicContact CZ-CG2 4.17Å
263	T	98.8	Very high	97.9	Very high	51 Å²	51	34.4 Å²	34.4	31%	0.313	18%	0.177	S	C	.	.	H	α-helix	trans	-59.9	-47.4	173.7	-61.8	0	0	0	0	111.3	P124 K259 E260 F265 C266 T267	P124-T263 HydrophobicContact CB-CG2 4.49Å; P124-T263 HydrophobicContact CG-CG2 4.19Å; K259-T263 WeakPolarHBondContact O-CB 3.35Å; K259-T263 PolarHBondContact O-N 2.97Å; K259-T263 PolarHBondContact O-OG1 3Å; E260-T263 PolarHBondContact O-N 3.33Å; T263-F265 VanDerWaalsContact C-N 3.33Å; T263-F265 PolarHBondContact O-N 2.99Å; T263-C266 PolarHBondContact O-N 3.16Å; T263-T267 WeakPolarHBondContact O-CB 3.18Å; T263-T267 PolarHBondContact O-N 2.82Å; T263-T267 PolarHBondContact O-OG1 3.06Å
264	R	98.8	Very high	98	Very high	18 Å²	18	36.8 Å²	36.8	7%	0.068	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-39.9	176.1	-178.2	169.6	53.3	-102.7	-4.5	111.7	L181 T236 F237 S251 M252 E260 G268	L181-R264 HydrophobicContact CD2-CG 3.97Å; T236-R264 PolarHBondContact O-NE 2.88Å; T236-R264 VanDerWaalsContact O-NE 3.09Å; T236-R264 PolarHBondContact OG1-NE 3.49Å; F237-R264 HydrophobicContact CB-CG 4.42Å; F237-R264 HydrophobicContact CD2-CG 4.44Å; S251-R264 PolarHBondContact OG-NE 2.87Å; S251-R264 PolarHBondContact OG-NH2 2.87Å; M252-R264 PolarHBondContact O-NH2 3.33Å; E260-R264 PolarHBondContact O-N 2.99Å; E260-R264 IonicContact OE1-NH1 3.9Å; R264-G268 PolarHBondContact O-N 3.02Å
265	F	98.8	Very high	98.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.9	-51.9	175.9	174.6	-98.7	0	0	0	112.5	L122 V143 T145 V261 F262 T263 L269 L303	L122-F265 HydrophobicContact CD2-CE1 4.09Å; V143-F265 HydrophobicContact CB-CB 4.39Å; V143-F265 HydrophobicContact CB-CD2 4.18Å; V143-F265 HydrophobicContact CB-CG 4.16Å; V143-F265 HydrophobicContact CG1-CB 4.42Å; V143-F265 HydrophobicContact CG1-CD1 3.77Å; V143-F265 HydrophobicContact CG1-CD2 3.82Å; V143-F265 HydrophobicContact CG1-CE1 3.82Å; V143-F265 HydrophobicContact CG1-CE2 3.88Å; V143-F265 HydrophobicContact CG1-CG 3.75Å; V143-F265 HydrophobicContact CG1-CZ 3.85Å; T145-F265 HydrophobicContact CG2-CE2 3.79Å; T145-F265 HydrophobicContact CG2-CZ 3.48Å; T145-F265 VanDerWaalsContact CG2-CZ 3.48Å; V261-F265 WeakPolarHBondContact O-CB 3.5Å; V261-F265 PolarHBondContact O-N 2.69Å; F262-F265 AromaticContact CD2-CD1 3.93Å; F262-F265 HydrophobicContact CD2-CD1 3.93Å; F262-F265 AromaticContact CE2-CD1 3.95Å; F262-F265 HydrophobicContact CE2-CD1 3.95Å; F262-F265 HydrophobicContact CE2-CE1 4.31Å; F262-F265 WeakPolarHBondContact O-CB 3.33Å; F262-F265 PolarHBondContact O-N 3.3Å; T263-F265 VanDerWaalsContact C-N 3.33Å; T263-F265 PolarHBondContact O-N 2.99Å; F265-L269 HydrophobicContact CD1-CD1 3.91Å; F265-L269 HydrophobicContact CD2-CD1 4.2Å; F265-L269 HydrophobicContact CE1-CD1 3.35Å; F265-L269 HydrophobicContact CE2-CD1 3.69Å; F265-L269 HydrophobicContact CE2-CG 4.46Å; F265-L269 HydrophobicContact CG-CD1 4.31Å; F265-L269 HydrophobicContact CZ-CD1 3.25Å; F265-L269 HydrophobicContact CZ-CG 4.43Å; F265-L269 WeakPolarHBondContact O-CB 3.21Å; F265-L269 PolarHBondContact O-N 3.12Å; F265-L303 HydrophobicContact CE1-CD1 3.91Å; F265-L303 HydrophobicContact CZ-CD1 4.25Å
266	C	98.6	Very high	98.2	Very high	2 Å²	2	30 Å²	30	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-48.1	179.2	-64.8	0	0	0	0	111	L122 P124 F262 T263 G268 L269 T270	L122-C266 WeakPolarHBondContact O-CB 3.43Å; L122-C266 PolarHBondContact O-SG 2.96Å; P124-C266 HydrophobicContact CG-CB 4.28Å; F262-C266 WeakPolarHBondContact CE2-SG 3.07Å; F262-C266 WeakPolarHBondContact CZ-SG 3.08Å; F262-C266 PolarHBondContact O-N 3.3Å; F262-C266 PolarHBondContact O-SG 2.9Å; T263-C266 PolarHBondContact O-N 3.16Å; C266-G268 PolarHBondContact O-N 3.28Å; C266-L269 PolarHBondContact O-N 3.26Å; C266-T270 PolarHBondContact O-N 3.3Å; C266-T270 PolarHBondContact O-OG1 3.27Å; C266-T270 VanDerWaalsContact O-OG1 3.07Å
267	T	98.3	Very high	98.1	Very high	61 Å²	61	35 Å²	35	37%	0.374	18%	0.181	S	C	.	.	H	α-helix	trans	-57.9	-50.1	179.7	-56.4	0	0	0	0	111.4	L181 T263 T270 Q271	L181-T267 HydrophobicContact CD1-CG2 4.47Å; T263-T267 WeakPolarHBondContact O-CB 3.18Å; T263-T267 PolarHBondContact O-N 2.82Å; T263-T267 PolarHBondContact O-OG1 3.06Å; T267-T270 PolarHBondContact O-N 3.48Å; T267-Q271 WeakPolarHBondContact O-CG 3.45Å; T267-Q271 PolarHBondContact O-N 3.15Å
268	G	98.2	Very high	98	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64	-41.8	179.5	0	0	0	0	0	113	R264 C266 Q271 I272	R264-G268 PolarHBondContact O-N 3.02Å; C266-G268 PolarHBondContact O-N 3.28Å; G268-Q271 PolarHBondContact O-N 3.32Å; G268-I272 WeakPolarHBondContact O-CB 3.36Å; G268-I272 WeakPolarHBondContact O-CD1 3.35Å; G268-I272 WeakPolarHBondContact O-CG1 3.49Å; G268-I272 PolarHBondContact O-N 2.86Å
269	L	97.2	Very high	97.9	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-46.5	175.4	-86.1	172.3	0	0	0	112.6	L122 T145 R147 V249 F265 C266 Q271 I272 E273	L122-L269 HydrophobicContact CD2-CD1 4.3Å; T145-L269 HydrophobicContact CG2-CD1 3.81Å; T145-L269 HydrophobicContact CG2-CD2 4.14Å; R147-L269 HydrophobicContact CG-CD2 4.1Å; V249-L269 HydrophobicContact CB-CD2 3.89Å; V249-L269 HydrophobicContact CB-CG 4.44Å; V249-L269 HydrophobicContact CG1-CD2 3.9Å; V249-L269 HydrophobicContact CG1-CG 3.99Å; V249-L269 HydrophobicContact CG2-CD2 3.81Å; F265-L269 HydrophobicContact CD1-CD1 3.91Å; F265-L269 HydrophobicContact CD2-CD1 4.2Å; F265-L269 HydrophobicContact CE1-CD1 3.35Å; F265-L269 HydrophobicContact CE2-CD1 3.69Å; F265-L269 HydrophobicContact CE2-CG 4.46Å; F265-L269 HydrophobicContact CG-CD1 4.31Å; F265-L269 HydrophobicContact CZ-CD1 3.25Å; F265-L269 HydrophobicContact CZ-CG 4.43Å; F265-L269 WeakPolarHBondContact O-CB 3.21Å; F265-L269 PolarHBondContact O-N 3.12Å; C266-L269 PolarHBondContact O-N 3.26Å; L269-Q271 VanDerWaalsContact C-N 3.32Å; L269-Q271 PolarHBondContact O-N 3.37Å; L269-I272 PolarHBondContact O-N 3.06Å; L269-E273 WeakPolarHBondContact O-CB 3.21Å; L269-E273 PolarHBondContact O-N 3Å
270	T	96.9	Very high	97.8	Very high	70 Å²	70	44 Å²	44	43%	0.429	24%	0.236	S	C	.	.	H	α-helix	trans	-62.6	-39.8	178.8	-59.2	0	0	0	0	111.6	C266 T267 T274	C266-T270 PolarHBondContact O-N 3.3Å; C266-T270 PolarHBondContact O-OG1 3.27Å; C266-T270 VanDerWaalsContact O-OG1 3.07Å; T267-T270 PolarHBondContact O-N 3.48Å; T270-T274 WeakPolarHBondContact O-CB 3.35Å; T270-T274 PolarHBondContact O-N 3.31Å; T270-T274 PolarHBondContact O-OG1 2.79Å
271	Q	98.3	Very high	97.8	Very high	64 Å²	64	44 Å²	44	30%	0.299	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-47.2	175.4	-72	-171.9	26.7	0	0	112	L177 T267 G268 L269 E273 T274 L275	L177-Q271 HydrophobicContact CD2-CB 3.84Å; T267-Q271 WeakPolarHBondContact O-CG 3.45Å; T267-Q271 PolarHBondContact O-N 3.15Å; G268-Q271 PolarHBondContact O-N 3.32Å; L269-Q271 VanDerWaalsContact C-N 3.32Å; L269-Q271 PolarHBondContact O-N 3.37Å; Q271-E273 VanDerWaalsContact C-N 3.32Å; Q271-E273 PolarHBondContact O-N 3.31Å; Q271-T274 PolarHBondContact O-N 2.97Å; Q271-L275 VanDerWaalsContact O-CG 3.31Å; Q271-L275 WeakPolarHBondContact O-CG 3.34Å; Q271-L275 PolarHBondContact O-N 3.02Å
272	I	98	Very high	97.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.1	-46	176.5	-68.8	165.6	0	0	0	110.6	L174 L177 F237 V239 V249 G268 L269 T274 L275 F276 F283	L174-I272 HydrophobicContact CD2-CD1 3.74Å; L174-I272 HydrophobicContact CD2-CG1 3.98Å; L177-I272 HydrophobicContact CD1-CG1 4.25Å; L177-I272 HydrophobicContact CD2-CG1 4.43Å; F237-I272 HydrophobicContact CE1-CD1 3.98Å; F237-I272 HydrophobicContact CZ-CD1 3.99Å; V239-I272 HydrophobicContact CG2-CD1 4.2Å; V249-I272 HydrophobicContact CG1-CD1 4.49Å; V249-I272 HydrophobicContact CG2-CD1 4.41Å; G268-I272 WeakPolarHBondContact O-CB 3.36Å; G268-I272 WeakPolarHBondContact O-CD1 3.35Å; G268-I272 WeakPolarHBondContact O-CG1 3.49Å; G268-I272 PolarHBondContact O-N 2.86Å; L269-I272 PolarHBondContact O-N 3.06Å; I272-T274 VanDerWaalsContact C-N 3.34Å; I272-T274 PolarHBondContact O-N 3.1Å; I272-L275 PolarHBondContact O-N 2.86Å; I272-F276 HydrophobicContact CG2-CD2 3.86Å; I272-F276 HydrophobicContact CG2-CE2 3.37Å; I272-F276 HydrophobicContact CG2-CZ 3.96Å; I272-F276 PolarHBondContact O-N 3.06Å; I272-F283 HydrophobicContact CG2-CZ 4.06Å
273	E	97.2	Very high	97.7	Very high	35 Å²	35	48.8 Å²	48.8	16%	0.164	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-42.4	178.8	-167.3	174.5	155	0	0	111.9	L269 Q271 L275 F276 K277 F283 Y291	L269-E273 WeakPolarHBondContact O-CB 3.21Å; L269-E273 PolarHBondContact O-N 3Å; Q271-E273 VanDerWaalsContact C-N 3.32Å; Q271-E273 PolarHBondContact O-N 3.31Å; E273-L275 VanDerWaalsContact C-N 3.32Å; E273-L275 PolarHBondContact O-N 2.81Å; E273-F276 PolarHBondContact O-N 3.09Å; E273-K277 HydrophobicContact CG-CD 4.39Å; E273-K277 WeakPolarHBondContact O-CB 3.44Å; E273-K277 WeakPolarHBondContact O-CG 3.46Å; E273-K277 PolarHBondContact O-N 3.2Å; E273-K277 WeakPolarHBondContact OE1-CE 3.45Å; E273-K277 IonicContact OE1-NZ 3.64Å; E273-K277 PolarHBondContact OE1-NZ 3Å; E273-F283 HydrophobicContact CB-CD2 4.2Å; E273-F283 HydrophobicContact CB-CE2 3.7Å; E273-F283 HydrophobicContact CG-CD2 3.75Å; E273-F283 HydrophobicContact CG-CE2 3.78Å; E273-Y291 PolarHBondContact OE2-OH 3.4Å
274	T	97.9	Very high	97.7	Very high	86 Å²	86	46.4 Å²	46.4	53%	0.528	24%	0.241	S	C	.	.	H	α-helix	trans	-61.2	-41.8	176.2	-59.8	0	0	0	0	111.4	T270 Q271 I272 K277 S278	T270-T274 WeakPolarHBondContact O-CB 3.35Å; T270-T274 PolarHBondContact O-N 3.31Å; T270-T274 PolarHBondContact O-OG1 2.79Å; Q271-T274 PolarHBondContact O-N 2.97Å; I272-T274 VanDerWaalsContact C-N 3.34Å; I272-T274 PolarHBondContact O-N 3.1Å; T274-K277 PolarHBondContact O-N 3.35Å; T274-S278 PolarHBondContact O-N 3.07Å
275	L	97.7	Very high	97.7	Very high	40 Å²	40	50.3 Å²	50.3	21%	0.209	26%	0.256	C	S	.	.	H	α-helix	trans	-66.2	-40.3	178	-71.2	166.8	0	0	0	111.9	A173 L177 Q271 I272 E273 S278	A173-L275 HydrophobicContact CB-CB 4.03Å; A173-L275 WeakPolarHBondContact O-CD1 3.46Å; L177-L275 HydrophobicContact CD2-CD1 3.9Å; Q271-L275 VanDerWaalsContact O-CG 3.31Å; Q271-L275 WeakPolarHBondContact O-CG 3.34Å; Q271-L275 PolarHBondContact O-N 3.02Å; I272-L275 PolarHBondContact O-N 2.86Å; E273-L275 VanDerWaalsContact C-N 3.32Å; E273-L275 PolarHBondContact O-N 2.81Å; L275-S278 PolarHBondContact O-N 2.64Å; L275-S278 PolarHBondContact O-OG 3.45Å
276	F	96.9	Very high	97.7	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.009	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-43.8	172.8	-70.1	-35	0	0	0	112.4	I149 L169 A173 L247 I272 E273 S278 K279 N280 Y281 F283	I149-F276 HydrophobicContact CD1-CZ 4.45Å; L169-F276 HydrophobicContact CD1-CD1 3.93Å; L169-F276 HydrophobicContact CD1-CE1 4.17Å; L169-F276 HydrophobicContact CD2-CD1 4.05Å; L169-F276 HydrophobicContact CD2-CE1 4.17Å; L169-F276 HydrophobicContact CG-CD1 3.75Å; L169-F276 HydrophobicContact CG-CE1 3.62Å; A173-F276 HydrophobicContact CB-CD1 3.96Å; A173-F276 HydrophobicContact CB-CE1 3.52Å; A173-F276 HydrophobicContact CB-CZ 4.17Å; L247-F276 HydrophobicContact CD1-CE2 3.55Å; L247-F276 HydrophobicContact CD1-CZ 3.79Å; I272-F276 HydrophobicContact CG2-CD2 3.86Å; I272-F276 HydrophobicContact CG2-CE2 3.37Å; I272-F276 HydrophobicContact CG2-CZ 3.96Å; I272-F276 PolarHBondContact O-N 3.06Å; E273-F276 PolarHBondContact O-N 3.09Å; F276-S278 VanDerWaalsContact C-N 3.28Å; F276-S278 PolarHBondContact O-N 3.36Å; F276-K279 CarbonylContact O-C 3.55Å; F276-K279 WeakPolarHBondContact O-CA 3.42Å; F276-K279 PolarHBondContact O-N 3.25Å; F276-N280 PolarHBondContact O-N 3.5Å; F276-Y281 CarbonylContact C-O 3.52Å; F276-Y281 PolarHBondContact O-N 3.33Å; F276-Y281 VanDerWaalsContact O-O 3.1Å; F276-F283 HydrophobicContact CD2-CD1 4.33Å; F276-F283 AromaticContact CD2-CE1 3.43Å; F276-F283 HydrophobicContact CD2-CE1 3.43Å; F276-F283 VanDerWaalsContact CD2-CE1 3.43Å; F276-F283 AromaticContact CD2-CZ 3.56Å; F276-F283 HydrophobicContact CD2-CZ 3.56Å; F276-F283 AromaticContact CE2-CE1 3.46Å; F276-F283 HydrophobicContact CE2-CE1 3.46Å; F276-F283 VanDerWaalsContact CE2-CE1 3.46Å; F276-F283 AromaticContact CE2-CZ 3.66Å; F276-F283 HydrophobicContact CE2-CZ 3.66Å
277	K	96.7	Very high	97.7	Very high	111 Å²	111	55.8 Å²	55.8	48%	0.483	29%	0.289	S	S	.	.	H	α-helix	trans	-59.3	-38.5	177	-76.5	178.1	-177.8	167.9	0	112.2	E273 T274 K279 N280 Y281	E273-K277 HydrophobicContact CG-CD 4.39Å; E273-K277 WeakPolarHBondContact O-CB 3.44Å; E273-K277 WeakPolarHBondContact O-CG 3.46Å; E273-K277 PolarHBondContact O-N 3.2Å; E273-K277 WeakPolarHBondContact OE1-CE 3.45Å; E273-K277 IonicContact OE1-NZ 3.64Å; E273-K277 PolarHBondContact OE1-NZ 3Å; T274-K277 PolarHBondContact O-N 3.35Å; K277-K279 PolarHBondContact O-N 3.16Å; K277-K279 VanDerWaalsContact O-N 3.08Å; K277-N280 PolarHBondContact O-N 3.05Å; K277-Y281 VanDerWaalsContact CA-O 3.29Å; K277-Y281 WeakPolarHBondContact CA-O 3.32Å; K277-Y281 PolarHBondContact N-O 2.8Å; K277-Y281 VanDerWaalsContact N-O 3.17Å
278	S	97.1	Very high	97.7	Very high	84 Å²	84	54.8 Å²	54.8	59%	0.587	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.2	176.2	75.7	0	0	0	0	113.9	T274 L275 F276	T274-S278 PolarHBondContact O-N 3.07Å; L275-S278 PolarHBondContact O-N 2.64Å; L275-S278 PolarHBondContact O-OG 3.45Å; F276-S278 VanDerWaalsContact C-N 3.28Å; F276-S278 PolarHBondContact O-N 3.36Å
279	K	95.3	Very high	97.8	Very high	51 Å²	51	55.1 Å²	55.1	22%	0.222	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	12.7	176.6	-64.1	179.5	-179.8	177.9	0	113.5	L169 E172 F276 K277 Y281	L169-K279 HydrophobicContact CD1-CD 3.85Å; E172-K279 WeakPolarHBondContact OE1-CE 3.49Å; E172-K279 IonicContact OE1-NZ 3.45Å; E172-K279 PolarHBondContact OE1-NZ 2.85Å; E172-K279 IonicContact OE2-NZ 3.9Å; E172-K279 PolarHBondContact OE2-NZ 3.43Å; F276-K279 CarbonylContact O-C 3.55Å; F276-K279 WeakPolarHBondContact O-CA 3.42Å; F276-K279 PolarHBondContact O-N 3.25Å; K277-K279 PolarHBondContact O-N 3.16Å; K277-K279 VanDerWaalsContact O-N 3.08Å; K279-Y281 VanDerWaalsContact C-N 3.28Å; K279-Y281 HydrophobicContact CB-CD2 3.89Å; K279-Y281 HydrophobicContact CB-CE2 4.36Å; K279-Y281 WeakPolarHBondContact O-CD2 3.18Å; K279-Y281 PolarHBondContact O-N 2.93Å
280	N	97.3	Very high	97.8	Very high	158 Å²	158	55 Å²	55	85%	0.845	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	30.6	-176.3	-48	-62.8	0	0	0	114	F276 K277	F276-N280 PolarHBondContact O-N 3.5Å; K277-N280 PolarHBondContact O-N 3.05Å
281	Y	98.1	Very high	97.9	Very high	88 Å²	88	52.4 Å²	52.4	35%	0.345	26%	0.263	S	S	.	.			trans	-109.5	147.6	167.3	-67	-83	0	0	0	109.9	I149 F152 L169 F276 K277 K279	I149-Y281 HydrophobicContact CG2-CD1 3.94Å; I149-Y281 HydrophobicContact CG2-CG 4.41Å; F152-Y281 AromaticContact CE2-CD1 3.98Å; F152-Y281 HydrophobicContact CE2-CD1 3.98Å; F152-Y281 AromaticContact CE2-CE1 3.62Å; F152-Y281 HydrophobicContact CE2-CE1 3.62Å; F152-Y281 AromaticContact CZ-CE1 3.83Å; F152-Y281 HydrophobicContact CZ-CE1 3.83Å; L169-Y281 HydrophobicContact CD1-CD2 3.64Å; L169-Y281 HydrophobicContact CD1-CE2 3.81Å; L169-Y281 HydrophobicContact CD1-CG 4.4Å; L169-Y281 HydrophobicContact CD2-CD1 3.73Å; L169-Y281 HydrophobicContact CD2-CD2 3.52Å; L169-Y281 HydrophobicContact CD2-CE1 4.05Å; L169-Y281 HydrophobicContact CD2-CE2 3.85Å; L169-Y281 HydrophobicContact CD2-CG 3.45Å; L169-Y281 VanDerWaalsContact CD2-CG 3.45Å; L169-Y281 HydrophobicContact CG-CD2 4.24Å; L169-Y281 HydrophobicContact CG-CE2 4.44Å; F276-Y281 CarbonylContact C-O 3.52Å; F276-Y281 PolarHBondContact O-N 3.33Å; F276-Y281 VanDerWaalsContact O-O 3.1Å; K277-Y281 VanDerWaalsContact CA-O 3.29Å; K277-Y281 WeakPolarHBondContact CA-O 3.32Å; K277-Y281 PolarHBondContact N-O 2.8Å; K277-Y281 VanDerWaalsContact N-O 3.17Å; K279-Y281 VanDerWaalsContact C-N 3.28Å; K279-Y281 HydrophobicContact CB-CD2 3.89Å; K279-Y281 HydrophobicContact CB-CE2 4.36Å; K279-Y281 WeakPolarHBondContact O-CD2 3.18Å; K279-Y281 PolarHBondContact O-N 2.93Å
282	E	97.9	Very high	98	Very high	93 Å²	93	49.4 Å²	49.4	44%	0.435	25%	0.249	S	C	.	.			trans	-134.3	160.7	176.4	61.9	-174.6	170.2	0	0	110.3	R150	R150-E282 HydrophobicContact CB-CG 3.94Å; R150-E282 WeakPolarHBondContact CB-O 3.41Å; R150-E282 WeakPolarHBondContact CD-OE1 3.43Å; R150-E282 HydrophobicContact CG-CG 4.47Å; R150-E282 IonicContact CZ-OE1 2.96Å; R150-E282 PolarHBondContact N-O 3.05Å; R150-E282 IonicContact NE-OE1 3.25Å; R150-E282 IonicContact NH1-OE1 3.89Å; R150-E282 PolarHBondContact NH1-OE1 2.96Å; R150-E282 IonicContact NH1-OE2 3.74Å
283	F	98.7	Very high	98	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.035	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-76.2	145.9	171.2	-65.8	-44.1	0	0	0	110.7	R147 S148 I149 L247 I272 E273 F276 W285 Y291	R147-F283 HydrophobicContact CB-CD1 3.71Å; R147-F283 HydrophobicContact CB-CD2 4.45Å; R147-F283 HydrophobicContact CB-CE1 3.51Å; R147-F283 HydrophobicContact CB-CE2 4.27Å; R147-F283 HydrophobicContact CB-CG 4.18Å; R147-F283 HydrophobicContact CB-CZ 3.81Å; R147-F283 HydrophobicContact CG-CD1 4.29Å; R147-F283 HydrophobicContact CG-CD2 4.14Å; R147-F283 HydrophobicContact CG-CE1 4.03Å; R147-F283 HydrophobicContact CG-CE2 3.86Å; R147-F283 HydrophobicContact CG-CG 4.34Å; R147-F283 HydrophobicContact CG-CZ 3.8Å; S148-F283 CarbonylContact O-C 3.52Å; S148-F283 WeakPolarHBondContact O-CA 3.43Å; S148-F283 WeakPolarHBondContact O-CD1 3.47Å; I149-F283 HydrophobicContact CG1-CD1 4.49Å; I149-F283 HydrophobicContact CG1-CE1 4.46Å; L247-F283 HydrophobicContact CD1-CE1 4.1Å; L247-F283 HydrophobicContact CD1-CZ 4.49Å; I272-F283 HydrophobicContact CG2-CZ 4.06Å; E273-F283 HydrophobicContact CB-CD2 4.2Å; E273-F283 HydrophobicContact CB-CE2 3.7Å; E273-F283 HydrophobicContact CG-CD2 3.75Å; E273-F283 HydrophobicContact CG-CE2 3.78Å; F276-F283 HydrophobicContact CD2-CD1 4.33Å; F276-F283 AromaticContact CD2-CE1 3.43Å; F276-F283 HydrophobicContact CD2-CE1 3.43Å; F276-F283 VanDerWaalsContact CD2-CE1 3.43Å; F276-F283 AromaticContact CD2-CZ 3.56Å; F276-F283 HydrophobicContact CD2-CZ 3.56Å; F276-F283 AromaticContact CE2-CE1 3.46Å; F276-F283 HydrophobicContact CE2-CE1 3.46Å; F276-F283 VanDerWaalsContact CE2-CE1 3.46Å; F276-F283 AromaticContact CE2-CZ 3.66Å; F276-F283 HydrophobicContact CE2-CZ 3.66Å; F283-W285 PolarHBondContact O-N 3.36Å; F283-Y291 HydrophobicContact CB-CD1 4.08Å; F283-Y291 HydrophobicContact CB-CE1 3.97Å; F283-Y291 HydrophobicContact CD2-CE1 4.08Å; F283-Y291 HydrophobicContact CG-CE1 4.43Å
284	M	98.8	Very high	98.1	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	24%	0.242	C	C	.	.			trans	-64.5	115	169.4	-60.7	178.3	178	0	0	108.6	E91 S148 I149 R150 F152 L154 Y291 I292	E91-M284 HydrophobicContact CB-CE 4.19Å; E91-M284 HydrophobicContact CB-CG 4.31Å; E91-M284 HydrophobicContact CB-SD 3.84Å; E91-M284 HydrophobicContact CG-CB 4.3Å; E91-M284 HydrophobicContact CG-CG 4.3Å; E91-M284 HydrophobicContact CG-SD 4.3Å; S148-M284 WeakPolarHBondContact CB-SD 3.12Å; S148-M284 PolarHBondContact O-N 3.05Å; I149-M284 WeakPolarHBondContact O-CE 3.22Å; R150-M284 HydrophobicContact CB-CG 4Å; F152-M284 WeakPolarHBondContact O-CE 3.32Å; L154-M284 HydrophobicContact CD2-CE 4.08Å; L154-M284 HydrophobicContact CD2-SD 3.9Å; M284-Y291 WeakPolarHBondContact O-CA 3.46Å; M284-I292 HydrophobicContact CB-CB 3.7Å; M284-I292 HydrophobicContact CB-CG1 4.17Å; M284-I292 HydrophobicContact CB-CG2 4.48Å; M284-I292 PolarHBondContact O-N 2.87Å; M284-I292 HydrophobicContact SD-CB 4.45Å; M284-I292 HydrophobicContact SD-CG2 4.28Å
285	W	98.7	Very high	98.1	Very high	99 Å²	99	44.6 Å²	44.6	38%	0.375	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	140.8	-178.6	-179.1	99.1	0	0	0	110.9	R150 F283 P287 G290 Y291	R150-W285 PolarHBondContact NH2-O 3.38Å; F283-W285 PolarHBondContact O-N 3.36Å; W285-P287 HydrophobicContact CH2-CB 4.28Å; W285-P287 HydrophobicContact CH2-CG 3.97Å; W285-P287 HydrophobicContact CZ3-CG 3.99Å; W285-G290 VanDerWaalsContact CA-O 3.22Å; W285-G290 WeakPolarHBondContact CA-O 3.44Å; W285-Y291 HydrophobicContact CB-CD1 4.12Å; W285-Y291 HydrophobicContact CB-CE1 4.39Å; W285-Y291 AromaticContact CD1-CD1 3.82Å; W285-Y291 AromaticContact CD1-CD2 3.96Å; W285-Y291 AromaticContact CD1-CE1 3.98Å; W285-Y291 AromaticContact CD1-CG 3.83Å; W285-Y291 HydrophobicContact CG-CD1 4.37Å; W285-Y291 HydrophobicContact CG-CE1 4.5Å
286	N	98.6	Very high	98.1	Very high	48 Å²	48	42.7 Å²	42.7	26%	0.257	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162.3	167.6	73.1	55.2	0	0	0	111.6	H288 L289 G290	N286-H288 VanDerWaalsContact C-N 3.26Å; N286-H288 PolarHBondContact O-N 2.78Å; N286-H288 PolarHBondContact OD1-N 3Å; N286-L289 PolarHBondContact OD1-N 2.97Å; N286-G290 PolarHBondContact N-O 3.48Å; N286-G290 VanDerWaalsContact O-CA 3.28Å; N286-G290 WeakPolarHBondContact O-CA 3.27Å; N286-G290 PolarHBondContact O-N 2.91Å
287	P	98.4	Very high	98.1	Very high	69 Å²	69	43.6 Å²	43.6	45%	0.448	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.4	-175.5	-24.9	35	0	0	0	114.8	H118 W285	H118-P287 PolarHBondContact N-O 3.04Å; W285-P287 HydrophobicContact CH2-CB 4.28Å; W285-P287 HydrophobicContact CH2-CG 3.97Å; W285-P287 HydrophobicContact CZ3-CG 3.99Å
288	H	98.6	Very high	98.2	Very high	41 Å²	41	39.2 Å²	39.2	19%	0.19	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-48.7	-177.2	173.3	47.5	0	0	0	111.9	Y112 K113 D116 N286	Y112-H288 AromaticContact CE1-CE1 3.56Å; Y112-H288 AromaticContact CE1-ND1 3.79Å; Y112-H288 WeakPolarHBondContact CE1-O 3.33Å; Y112-H288 PolarHBondContact OH-O 3.24Å; K113-H288 PolarHBondContact O-CE1 3.39Å; K113-H288 VanDerWaalsContact O-CE1 3.27Å; D116-H288 PolarHBondContact O-ND1 2.86Å; N286-H288 VanDerWaalsContact C-N 3.26Å; N286-H288 PolarHBondContact O-N 2.78Å; N286-H288 PolarHBondContact OD1-N 3Å
289	L	98.8	Very high	98.2	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.037	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-4.6	-172.7	-61.3	-175.5	0	0	0	113.6	Y94 I105 N286 I292 L299 G300	Y94-L289 HydrophobicContact CD1-CD1 3.96Å; Y94-L289 HydrophobicContact CG-CD1 3.86Å; I105-L289 HydrophobicContact CD1-CD2 3.96Å; N286-L289 PolarHBondContact OD1-N 2.97Å; L289-I292 HydrophobicContact CB-CD1 3.52Å; L289-I292 HydrophobicContact CD1-CD1 3.72Å; L289-I292 HydrophobicContact CG-CD1 4.25Å; L289-L299 HydrophobicContact CB-CD2 4.43Å; L289-L299 HydrophobicContact CD1-CD1 4.46Å; L289-L299 HydrophobicContact CD2-CD1 4.21Å; L289-G300 WeakPolarHBondContact O-CA 3.32Å; L289-G300 PolarHBondContact O-N 2.85Å
290	G	98.8	Very high	98.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.8	-138.4	-172	0	0	0	0	0	111.5	H118 W285 N286 I292	H118-G290 WeakPolarHBondContact CD2-CA 3.1Å; W285-G290 VanDerWaalsContact CA-O 3.22Å; W285-G290 WeakPolarHBondContact CA-O 3.44Å; N286-G290 PolarHBondContact N-O 3.48Å; N286-G290 VanDerWaalsContact O-CA 3.28Å; N286-G290 WeakPolarHBondContact O-CA 3.27Å; N286-G290 PolarHBondContact O-N 2.91Å; G290-I292 PolarHBondContact O-N 3.19Å
291	Y	98.8	Very high	98.4	Very high	14 Å²	14	25.3 Å²	25.3	6%	0.055	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128.2	176.3	-68.4	-76.8	0	0	0	111.1	T120 R147 E273 F283 M284 W285 G300	T120-Y291 HydrophobicContact CG2-CE2 4.12Å; R147-Y291 VanDerWaalsContact CZ-CD2 3.45Å; R147-Y291 VanDerWaalsContact CZ-CE2 3.42Å; E273-Y291 PolarHBondContact OE2-OH 3.4Å; F283-Y291 HydrophobicContact CB-CD1 4.08Å; F283-Y291 HydrophobicContact CB-CE1 3.97Å; F283-Y291 HydrophobicContact CD2-CE1 4.08Å; F283-Y291 HydrophobicContact CG-CE1 4.43Å; M284-Y291 WeakPolarHBondContact O-CA 3.46Å; W285-Y291 HydrophobicContact CB-CD1 4.12Å; W285-Y291 HydrophobicContact CB-CE1 4.39Å; W285-Y291 AromaticContact CD1-CD1 3.82Å; W285-Y291 AromaticContact CD1-CD2 3.96Å; W285-Y291 AromaticContact CD1-CE1 3.98Å; W285-Y291 AromaticContact CD1-CG 3.83Å; W285-Y291 HydrophobicContact CG-CD1 4.37Å; W285-Y291 HydrophobicContact CG-CE1 4.5Å; Y291-G300 WeakPolarHBondContact CB-O 3.43Å; Y291-G300 PolarHBondContact N-O 3.27Å
292	I	98.9	Very high	98.4	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.107	C	C	.	.			trans	-85.2	127.7	-178.9	-56.9	-60.5	0	0	0	110.2	E91 Y94 S148 M284 L289 G290 L299	E91-I292 HydrophobicContact CG-CG1 4.41Å; Y94-I292 HydrophobicContact CD2-CD1 4.33Å; Y94-I292 HydrophobicContact CD2-CG2 3.66Å; Y94-I292 HydrophobicContact CE2-CG2 3.54Å; S148-I292 VanDerWaalsContact CB-O 3.23Å; S148-I292 WeakPolarHBondContact CB-O 3.45Å; S148-I292 PolarHBondContact OG-O 2.95Å; M284-I292 HydrophobicContact CB-CB 3.7Å; M284-I292 HydrophobicContact CB-CG1 4.17Å; M284-I292 HydrophobicContact CB-CG2 4.48Å; M284-I292 PolarHBondContact O-N 2.87Å; M284-I292 HydrophobicContact SD-CB 4.45Å; M284-I292 HydrophobicContact SD-CG2 4.28Å; L289-I292 HydrophobicContact CB-CD1 3.52Å; L289-I292 HydrophobicContact CD1-CD1 3.72Å; L289-I292 HydrophobicContact CG-CD1 4.25Å; G290-I292 PolarHBondContact O-N 3.19Å; I292-L299 HydrophobicContact CD1-CD2 3.97Å
293	L	98.9	Very high	98.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.			trans	-131.7	168.2	175.8	-64.6	-177.9	0	0	0	110.5	Y94 G146 S148 D245 C295 N298	Y94-L293 WeakPolarHBondContact CE2-O 3.39Å; Y94-L293 PolarHBondContact OH-O 2.9Å; G146-L293 VanDerWaalsContact C-CD2 3.4Å; S148-L293 WeakPolarHBondContact OG-CD2 3.48Å; D245-L293 HydrophobicContact CB-CD2 4.06Å; D245-L293 WeakPolarHBondContact OD1-CB 3.4Å; L293-C295 PolarHBondContact O-N 2.9Å; L293-N298 HydrophobicContact CB-CB 4.12Å; L293-N298 HydrophobicContact CD1-CB 3.77Å; L293-N298 WeakPolarHBondContact CD1-O 3.03Å
294	T	98.8	Very high	98.4	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.087	C	C	.	.	S	Bend	trans	-59.4	-47.5	-173.8	-52.7	0	0	0	0	113	V87 A88 P155 P156 M219 E244 D245	V87-T294 WeakPolarHBondContact CA-O 3.35Å; V87-T294 HydrophobicContact CB-CG2 4.08Å; V87-T294 HydrophobicContact CG1-CG2 4.18Å; A88-T294 PolarHBondContact N-O 3.2Å; P155-T294 WeakPolarHBondContact CD-OG1 3.31Å; P156-T294 VanDerWaalsContact CD-CG2 3.44Å; P156-T294 HydrophobicContact CG-CG2 3.37Å; M219-T294 HydrophobicContact CE-CG2 3.95Å; M219-T294 HydrophobicContact SD-CG2 4.05Å; E244-T294 PolarHBondContact O-OG1 3.01Å; E244-T294 VanDerWaalsContact O-OG1 3.05Å; D245-T294 WeakPolarHBondContact OD1-CB 3.36Å; D245-T294 PolarHBondContact OD1-N 3.4Å; D245-T294 PolarHBondContact OD1-OG1 2.87Å
295	C	98.3	Very high	98.4	Very high	20 Å²	20	16.9 Å²	16.9	14%	0.135	9%	0.087	C	C	.	.	S	Bend	trans	-96.5	130.1	-178.2	-176.3	0	0	0	0	110.2	L293 S297 N298	L293-C295 PolarHBondContact O-N 2.9Å; C295-S297 PolarHBondContact O-N 3.04Å; C295-S297 PolarHBondContact SG-OG 2.64Å; C295-N298 PolarHBondContact O-N 3.11Å
296	P	98.4	Very high	98.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-53.1	-28.1	176.2	-30.8	35.9	0	0	0	114.2	V84 C86 Y94 F101 I105 H109 N298 L299	V84-P296 HydrophobicContact CG1-CB 3.89Å; V84-P296 HydrophobicContact CG1-CG 3.81Å; C86-P296 WeakPolarHBondContact O-CD 3.35Å; Y94-P296 HydrophobicContact CE1-CG 4.16Å; F101-P296 HydrophobicContact CD1-CG 3.8Å; F101-P296 HydrophobicContact CE1-CG 3.7Å; I105-P296 HydrophobicContact CG1-CB 4.18Å; H109-P296 PolarHBondContact NE2-O 2.85Å; P296-N298 PolarHBondContact O-N 2.88Å; P296-N298 VanDerWaalsContact O-N 3.15Å; P296-L299 HydrophobicContact CB-CD1 4.39Å; P296-L299 WeakPolarHBondContact O-CG 3.36Å; P296-L299 PolarHBondContact O-N 2.77Å
297	S	96.1	Very high	98.3	Very high	20 Å²	20	10.3 Å²	10.3	14%	0.14	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-66.4	-14.3	177	73	0	0	0	0	114.2	H109 C295 R353	H109-S297 PolarHBondContact CE1-O 3.2Å; C295-S297 PolarHBondContact O-N 3.04Å; C295-S297 PolarHBondContact SG-OG 2.64Å; S297-R353 VanDerWaalsContact O-CG 3.27Å; S297-R353 WeakPolarHBondContact O-CG 3.46Å
298	N	97.9	Very high	98.2	Very high	20 Å²	20	9.4 Å²	9.4	11%	0.107	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-109	9.2	-176.8	-62.5	-36.9	0	0	0	112.8	R248 L293 C295 P296 G302	R248-N298 PolarHBondContact NH2-ND2 3.29Å; R248-N298 VanDerWaalsContact NH2-ND2 3.14Å; L293-N298 HydrophobicContact CB-CB 4.12Å; L293-N298 HydrophobicContact CD1-CB 3.77Å; L293-N298 WeakPolarHBondContact CD1-O 3.03Å; C295-N298 PolarHBondContact O-N 3.11Å; P296-N298 PolarHBondContact O-N 2.88Å; P296-N298 VanDerWaalsContact O-N 3.15Å; N298-G302 WeakPolarHBondContact O-CA 2.97Å; N298-G302 PolarHBondContact O-N 3.31Å
299	L	98.6	Very high	98.1	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.041	C	C	.	.			trans	-63.4	172.7	173.7	-66.6	171.3	0	0	0	112.7	Y94 I105 L289 I292 P296 T301 G302 R353 L354	Y94-L299 HydrophobicContact CD1-CD1 4.34Å; Y94-L299 HydrophobicContact CE1-CD1 3.67Å; Y94-L299 HydrophobicContact CE1-CD2 4.19Å; Y94-L299 HydrophobicContact CE1-CG 4.36Å; Y94-L299 HydrophobicContact CE2-CD2 4.06Å; I105-L299 HydrophobicContact CD1-CD1 3.52Å; I105-L299 HydrophobicContact CG1-CD1 3.85Å; L289-L299 HydrophobicContact CB-CD2 4.43Å; L289-L299 HydrophobicContact CD1-CD1 4.46Å; L289-L299 HydrophobicContact CD2-CD1 4.21Å; I292-L299 HydrophobicContact CD1-CD2 3.97Å; P296-L299 HydrophobicContact CB-CD1 4.39Å; P296-L299 WeakPolarHBondContact O-CG 3.36Å; P296-L299 PolarHBondContact O-N 2.77Å; L299-T301 PolarHBondContact O-N 3.43Å; L299-G302 PolarHBondContact O-N 3.38Å; L299-R353 CarbonylContact O-C 3.6Å; L299-R353 VanDerWaalsContact O-CB 3.29Å; L299-R353 WeakPolarHBondContact O-CB 3.4Å; L299-L354 HydrophobicContact CB-CD2 4.3Å
300	G	98.6	Very high	98	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	78.4	-112.3	179.8	0	0	0	0	0	110.8	L289 Y291 G302 L354	L289-G300 WeakPolarHBondContact O-CA 3.32Å; L289-G300 PolarHBondContact O-N 2.85Å; Y291-G300 WeakPolarHBondContact CB-O 3.43Å; Y291-G300 PolarHBondContact N-O 3.27Å; G300-G302 VanDerWaalsContact C-N 3.34Å; G300-L354 VanDerWaalsContact CA-CD1 3.44Å
301	T	98.6	Very high	97.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-25.2	176.3	59.1	0	0	0	0	112.9	H118 T145 R147 L299 L303 R353 F356 E358 L361	H118-T301 PolarHBondContact CE1-N 2.88Å; H118-T301 PolarHBondContact NE2-N 3.06Å; T145-T301 PolarHBondContact OG1-O 3.17Å; R147-T301 PolarHBondContact NH1-O 3.46Å; L299-T301 PolarHBondContact O-N 3.43Å; T301-L303 PolarHBondContact O-N 2.8Å; T301-L303 VanDerWaalsContact O-N 3.07Å; T301-L303 WeakPolarHBondContact OG1-CB 3.15Å; T301-L303 PolarHBondContact OG1-N 2.98Å; T301-R353 PolarHBondContact N-O 2.8Å; T301-R353 PolarHBondContact OG1-O 2.9Å; T301-F356 WeakPolarHBondContact CG2-O 3.25Å; T301-E358 HydrophobicContact CG2-CG 3.76Å; T301-L361 HydrophobicContact CG2-CD1 3.73Å; T301-L361 WeakPolarHBondContact OG1-CD1 3.16Å
302	G	97.6	Very high	97.8	Very high	1 Å²	1	13 Å²	13	1%	0.01	7%	0.069	C	C	.	.			trans	57.4	9.8	-161.7	0	0	0	0	0	114.4	T145 N298 L299 G300	T145-G302 WeakPolarHBondContact CA-O 3.5Å; T145-G302 VanDerWaalsContact OG1-C 3.26Å; T145-G302 WeakPolarHBondContact OG1-CA 3.47Å; T145-G302 PolarHBondContact OG1-O 2.73Å; N298-G302 WeakPolarHBondContact O-CA 2.97Å; N298-G302 PolarHBondContact O-N 3.31Å; L299-G302 PolarHBondContact O-N 3.38Å; G300-G302 VanDerWaalsContact C-N 3.34Å
303	L	98.3	Very high	97.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.			trans	-85.2	128.1	-163.9	-176.8	150.2	0	0	0	112	V143 R144 F262 F265 T301 A305 N350 R353 E358 L361 V362	V143-L303 HydrophobicContact CG1-CD1 3.78Å; V143-L303 HydrophobicContact CG1-CD2 4.45Å; V143-L303 HydrophobicContact CG1-CG 3.97Å; R144-L303 CarbonylContact O-C 3.55Å; R144-L303 VanDerWaalsContact O-CA 3.28Å; R144-L303 WeakPolarHBondContact O-CA 3.43Å; F262-L303 HydrophobicContact CE2-CD1 4.2Å; F265-L303 HydrophobicContact CE1-CD1 3.91Å; F265-L303 HydrophobicContact CZ-CD1 4.25Å; T301-L303 PolarHBondContact O-N 2.8Å; T301-L303 VanDerWaalsContact O-N 3.07Å; T301-L303 WeakPolarHBondContact OG1-CB 3.15Å; T301-L303 PolarHBondContact OG1-N 2.98Å; L303-A305 HydrophobicContact CD2-CB 3.72Å; L303-N350 PolarHBondContact O-ND2 3.21Å; L303-R353 WeakPolarHBondContact O-CD 3.37Å; L303-R353 PolarHBondContact O-NE 2.97Å; L303-R353 VanDerWaalsContact O-NE 3.13Å; L303-E358 HydrophobicContact CB-CG 4.42Å; L303-E358 HydrophobicContact CD1-CB 3.6Å; L303-E358 HydrophobicContact CD1-CG 3.62Å; L303-L361 HydrophobicContact CB-CD1 4.19Å; L303-L361 HydrophobicContact CD2-CB 3.94Å; L303-L361 HydrophobicContact CD2-CD1 4.23Å; L303-V362 HydrophobicContact CD1-CG2 4.19Å; L303-V362 HydrophobicContact CD2-CG2 4.13Å
304	R	97.6	Very high	97.7	Very high	14 Å²	14	17.2 Å²	17.2	5%	0.053	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	99	166.1	-175.3	179.4	-177.2	-142.2	-14.1	109.2	R144 R332 D347 S349 N350	R144-R304 HydrophobicContact CG-CB 3.85Å; R144-R304 PolarHBondContact N-O 3.03Å; R144-R304 VanDerWaalsContact N-O 3.07Å; R144-R304 PolarHBondContact O-N 3.42Å; R304-R332 VanDerWaalsContact NH2-CD 3.27Å; R304-D347 IonicContact CZ-OD1 3.1Å; R304-D347 IonicContact CZ-OD2 2.73Å; R304-D347 IonicContact NH1-OD2 3.65Å; R304-D347 IonicContact NH2-OD1 3.85Å; R304-D347 PolarHBondContact NH2-OD1 3.41Å; R304-D347 IonicContact NH2-OD2 3.98Å; R304-D347 PolarHBondContact NH2-OD2 2.99Å; R304-S349 PolarHBondContact NE-OG 2.88Å; R304-S349 PolarHBondContact NH2-OG 3.43Å; R304-S349 VanDerWaalsContact NH2-OG 3.15Å; R304-N350 WeakPolarHBondContact CA-OD1 3.45Å
305	A	98.3	Very high	97.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	136.6	168	0	0	0	0	0	109	R142 V143 L303 S349 N350 V362 V365	R142-A305 CarbonylContact O-C 3.58Å; R142-A305 WeakPolarHBondContact O-CA 3.49Å; V143-A305 HydrophobicContact CG1-CB 4.48Å; V143-A305 HydrophobicContact CG2-CB 3.98Å; L303-A305 HydrophobicContact CD2-CB 3.72Å; A305-S349 WeakPolarHBondContact O-CA 3.49Å; A305-S349 WeakPolarHBondContact O-CB 3.47Å; A305-N350 PolarHBondContact N-OD1 2.91Å; A305-N350 PolarHBondContact O-N 3.12Å; A305-N350 PolarHBondContact O-OD1 3.43Å; A305-N350 VanDerWaalsContact O-OD1 3.04Å; A305-V362 HydrophobicContact CB-CG2 3.84Å; A305-V365 HydrophobicContact CB-CG2 4.09Å; A305-V365 WeakPolarHBondContact O-CG2 3.25Å
306	G	97.5	Very high	97.3	Very high	6 Å²	6	26 Å²	26	6%	0.062	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	171.4	-178.6	0	0	0	0	0	114.1	R142 M258 V348	R142-G306 PolarHBondContact N-O 2.89Å; R142-G306 PolarHBondContact O-N 2.74Å; M258-G306 WeakPolarHBondContact CE-O 3.23Å; G306-V348 CarbonylContact C-O 3.53Å; G306-V348 WeakPolarHBondContact CA-O 3.48Å
307	V	97.6	Very high	97.2	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.4	-178.7	-65.3	0	0	0	0	110.5	L133 V138 S140 M258 I309 D347 V348 V369	L133-V307 HydrophobicContact CD1-CG1 4.13Å; V138-V307 HydrophobicContact CG1-CB 3.93Å; V138-V307 HydrophobicContact CG1-CG1 3.81Å; S140-V307 CarbonylContact O-C 3.49Å; S140-V307 VanDerWaalsContact O-CA 3.23Å; S140-V307 WeakPolarHBondContact O-CA 3.29Å; M258-V307 HydrophobicContact CE-CG1 3.77Å; V307-I309 HydrophobicContact CG2-CB 3.93Å; V307-I309 HydrophobicContact CG2-CG2 4.04Å; V307-D347 WeakPolarHBondContact O-CA 3.39Å; V307-V348 HydrophobicContact CG2-CB 4.37Å; V307-V348 PolarHBondContact N-O 3.45Å; V307-V348 PolarHBondContact O-N 2.87Å; V307-V369 HydrophobicContact CG1-CG2 4.49Å; V307-V369 HydrophobicContact CG2-CG1 4.1Å; V307-V369 HydrophobicContact CG2-CG2 3.57Å
308	H	96.2	Very high	97.2	Very high	51 Å²	51	35.5 Å²	35.5	24%	0.236	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	113.9	155.2	-76.4	175.9	0	0	0	107.9	V138 L139 S140 T334 V345 F346	V138-H308 CarbonylContact C-O 3.52Å; L139-H308 HydrophobicContact CB-CB 4.17Å; L139-H308 PolarHBondContact N-O 3.15Å; S140-H308 PolarHBondContact O-N 2.85Å; H308-T334 PolarHBondContact CE1-O 2.85Å; H308-T334 PolarHBondContact NE2-O 3.23Å; H308-V345 HydrophobicContact CB-CG1 4.25Å; H308-F346 WeakPolarHBondContact CA-O 3.16Å
309	I	97.3	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.9	-175.2	-174	171.7	0	0	0	111.3	Y137 V138 V307 L311 V345 F346 V348 V369 I373	Y137-I309 CarbonylContact O-C 3.6Å; Y137-I309 WeakPolarHBondContact O-CA 3.33Å; V138-I309 HydrophobicContact CG2-CD1 4.26Å; V138-I309 HydrophobicContact CG2-CG1 4.29Å; V307-I309 HydrophobicContact CG2-CB 3.93Å; V307-I309 HydrophobicContact CG2-CG2 4.04Å; I309-L311 HydrophobicContact CD1-CD1 4.37Å; I309-L311 HydrophobicContact CD1-CD2 3.85Å; I309-L311 HydrophobicContact CD1-CG 4.15Å; I309-L311 HydrophobicContact CG1-CD1 4.5Å; I309-L311 HydrophobicContact CG1-CD2 4.07Å; I309-L311 HydrophobicContact CG1-CG 3.99Å; I309-L311 HydrophobicContact CG2-CD1 3.88Å; I309-L311 HydrophobicContact CG2-CG 4.12Å; I309-V345 WeakPolarHBondContact O-CA 3.48Å; I309-F346 PolarHBondContact N-O 3.41Å; I309-F346 PolarHBondContact O-N 3.42Å; I309-V348 HydrophobicContact CG2-CB 4.16Å; I309-V348 HydrophobicContact CG2-CG2 3.65Å; I309-V369 HydrophobicContact CD1-CG1 4.07Å; I309-I373 HydrophobicContact CD1-CD1 4.3Å; I309-I373 HydrophobicContact CD1-CG1 3.66Å
310	K	97.3	Very high	97	Very high	89 Å²	89	37.5 Å²	37.5	39%	0.387	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	116.1	172	-69.8	168.6	60.5	-160.7	0	110	Y137 L139 V345	Y137-K310 PolarHBondContact O-N 2.87Å; L139-K310 HydrophobicContact CD1-CG 4.22Å; L139-K310 HydrophobicContact CD2-CD 3.93Å; L139-K310 HydrophobicContact CD2-CG 4.37Å; L139-K310 HydrophobicContact CG-CD 4.43Å; L139-K310 HydrophobicContact CG-CG 4.33Å; K310-V345 HydrophobicContact CG-CG2 3.93Å
311	L	97.1	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.			trans	-134.2	58.7	176.4	-61	172.7	0	0	0	110.9	I309 H313 L314 G315 F320 G344 F346 L372 E376	I309-L311 HydrophobicContact CD1-CD1 4.37Å; I309-L311 HydrophobicContact CD1-CD2 3.85Å; I309-L311 HydrophobicContact CD1-CG 4.15Å; I309-L311 HydrophobicContact CG1-CD1 4.5Å; I309-L311 HydrophobicContact CG1-CD2 4.07Å; I309-L311 HydrophobicContact CG1-CG 3.99Å; I309-L311 HydrophobicContact CG2-CD1 3.88Å; I309-L311 HydrophobicContact CG2-CG 4.12Å; L311-H313 PolarHBondContact O-N 3.46Å; L311-L314 HydrophobicContact CB-CB 4.33Å; L311-L314 HydrophobicContact CD1-CD2 4.44Å; L311-L314 HydrophobicContact CD2-CD2 4.37Å; L311-G315 VanDerWaalsContact O-CA 3.28Å; L311-G315 WeakPolarHBondContact O-CA 3.13Å; L311-G315 PolarHBondContact O-N 3.01Å; L311-F320 HydrophobicContact CD1-CE2 4.06Å; L311-F320 HydrophobicContact CD1-CZ 3.97Å; L311-G344 PolarHBondContact N-O 3.45Å; L311-F346 HydrophobicContact CB-CD2 3.94Å; L311-F346 HydrophobicContact CB-CE2 4.05Å; L311-F346 HydrophobicContact CD1-CD2 4.46Å; L311-L372 HydrophobicContact CD1-CB 4.43Å; L311-L372 HydrophobicContact CD1-CD1 4.4Å; L311-L372 HydrophobicContact CD2-CB 4.4Å; L311-E376 WeakPolarHBondContact CA-OE2 2.99Å; L311-E376 HydrophobicContact CD2-CB 3.8Å; L311-E376 HydrophobicContact CD2-CG 4.07Å
312	P	96.3	Very high	96.7	Very high	47 Å²	47	44.7 Å²	44.7	31%	0.305	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.7	-176.3	24.1	-34.7	0	0	0	114.7	K316 E376	P312-K316 WeakPolarHBondContact O-CD 3.33Å; P312-E376 WeakPolarHBondContact CD-OE1 3.4Å; P312-E376 VanDerWaalsContact CG-OE1 3.26Å; P312-E376 WeakPolarHBondContact CG-OE1 3.42Å; P312-E376 VanDerWaalsContact N-OE1 3.15Å
313	H	97.4	Very high	96.7	Very high	91 Å²	91	44.7 Å²	44.7	42%	0.421	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-57.5	178.3	-64.2	-89.9	0	0	0	111.5	L311 G315 K316 H317 E376 L379	L311-H313 PolarHBondContact O-N 3.46Å; H313-G315 PolarHBondContact O-N 3.33Å; H313-K316 PolarHBondContact O-N 3.46Å; H313-H317 PolarHBondContact O-N 2.79Å; H313-E376 WeakPolarHBondContact CB-OE1 3.37Å; H313-E376 IonicContact CD2-OE1 3.91Å; H313-E376 PolarHBondContact CD2-OE1 3.42Å; H313-E376 VanDerWaalsContact CD2-OE1 3.23Å; H313-E376 IonicContact CG-OE1 2.82Å; H313-E376 PolarHBondContact N-OE1 3.31Å; H313-L379 HydrophobicContact CB-CB 3.66Å; H313-L379 HydrophobicContact CB-CD1 4.06Å
314	L	97.3	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-61.1	-35.7	-179.2	-175.5	62	0	0	0	111.1	L311 K316 H317 F320 L372 M375 E376 L379 I385	L311-L314 HydrophobicContact CB-CB 4.33Å; L311-L314 HydrophobicContact CD1-CD2 4.44Å; L311-L314 HydrophobicContact CD2-CD2 4.37Å; L314-K316 PolarHBondContact O-N 3.41Å; L314-H317 HydrophobicContact CD1-CB 4.17Å; L314-H317 VanDerWaalsContact O-CB 3.31Å; L314-H317 WeakPolarHBondContact O-CB 3.3Å; L314-H317 PolarHBondContact O-N 3.48Å; L314-F320 HydrophobicContact CD1-CD2 4.48Å; L314-F320 HydrophobicContact CD2-CD2 4.21Å; L314-F320 HydrophobicContact CD2-CE2 4.31Å; L314-F320 HydrophobicContact CG-CD2 3.84Å; L314-F320 HydrophobicContact CG-CE2 4.27Å; L314-F320 HydrophobicContact CG-CG 4.43Å; L314-F320 VanDerWaalsContact O-CB 3.3Å; L314-F320 WeakPolarHBondContact O-CB 3.37Å; L314-F320 WeakPolarHBondContact O-CG 3.2Å; L314-L372 HydrophobicContact CD2-CB 4.23Å; L314-L372 HydrophobicContact CD2-CD2 3.55Å; L314-L372 HydrophobicContact CD2-CG 4.48Å; L314-M375 HydrophobicContact CD1-CB 4.3Å; L314-M375 HydrophobicContact CD1-SD 4.29Å; L314-M375 HydrophobicContact CD2-CB 3.93Å; L314-M375 HydrophobicContact CD2-SD 4.27Å; L314-E376 WeakPolarHBondContact CB-OE2 3.42Å; L314-E376 PolarHBondContact N-OE2 3.31Å; L314-L379 HydrophobicContact CB-CD1 3.93Å; L314-L379 HydrophobicContact CD1-CD1 4.05Å; L314-I385 HydrophobicContact CD1-CD1 3.7Å
315	G	94.3	Very high	96.4	Very high	22 Å²	22	50.7 Å²	50.7	23%	0.227	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-58.5	-21	176.1	0	0	0	0	0	115.2	L311 H313	L311-G315 VanDerWaalsContact O-CA 3.28Å; L311-G315 WeakPolarHBondContact O-CA 3.13Å; L311-G315 PolarHBondContact O-N 3.01Å; H313-G315 PolarHBondContact O-N 3.33Å
316	K	94.5	Very high	96.3	Very high	182 Å²	182	54.1 Å²	54.1	79%	0.791	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-103.8	-8	176.2	-62.2	174.9	-174.1	168.4	0	113	P312 H313 L314	P312-K316 WeakPolarHBondContact O-CD 3.33Å; H313-K316 PolarHBondContact O-N 3.46Å; L314-K316 PolarHBondContact O-N 3.41Å
317	H	96.7	Very high	96.2	Very high	50 Å²	50	54 Å²	54	23%	0.231	26%	0.261	C	S	.	.	S	Bend	trans	-72.9	137	-176.9	-165	-86.4	0	0	0	110.7	H313 L314 K319 F320 L379	H313-H317 PolarHBondContact O-N 2.79Å; L314-H317 HydrophobicContact CD1-CB 4.17Å; L314-H317 VanDerWaalsContact O-CB 3.31Å; L314-H317 WeakPolarHBondContact O-CB 3.3Å; L314-H317 PolarHBondContact O-N 3.48Å; H317-K319 PolarHBondContact ND1-N 3.4Å; H317-K319 PolarHBondContact O-N 3.15Å; H317-K319 VanDerWaalsContact O-N 3.11Å; H317-F320 WeakPolarHBondContact O-CB 3.35Å; H317-F320 PolarHBondContact O-N 2.93Å; H317-L379 HydrophobicContact CB-CD1 4.44Å
318	E	96.1	Very high	96.1	Very high	171 Å²	171	56.5 Å²	56.5	80%	0.799	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.2	-175.8	65.3	179.3	-171.2	0	0	113.2
319	K	96.4	Very high	96.1	Very high	58 Å²	58	54.5 Å²	54.5	25%	0.252	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.3	-179.2	-56.6	-171.1	179	178.9	0	114.5	H317 S321 E322 V323 D386 M389	H317-K319 PolarHBondContact ND1-N 3.4Å; H317-K319 PolarHBondContact O-N 3.15Å; H317-K319 VanDerWaalsContact O-N 3.11Å; K319-S321 PolarHBondContact O-N 2.92Å; K319-E322 PolarHBondContact O-N 3.1Å; K319-E322 VanDerWaalsContact O-N 3.09Å; K319-V323 WeakPolarHBondContact O-CG2 3.18Å; K319-V323 PolarHBondContact O-N 3.36Å; K319-D386 IonicContact NZ-OD1 3.52Å; K319-D386 PolarHBondContact NZ-OD1 3.08Å; K319-M389 HydrophobicContact CB-SD 4.19Å; K319-M389 HydrophobicContact CD-SD 3.86Å
320	F	96.1	Very high	95.8	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-45.5	-172.1	-177.1	-148.2	0	0	0	113.3	L311 L314 H317 E322 V323 L324 K331 F346 L372	L311-F320 HydrophobicContact CD1-CE2 4.06Å; L311-F320 HydrophobicContact CD1-CZ 3.97Å; L314-F320 HydrophobicContact CD1-CD2 4.48Å; L314-F320 HydrophobicContact CD2-CD2 4.21Å; L314-F320 HydrophobicContact CD2-CE2 4.31Å; L314-F320 HydrophobicContact CG-CD2 3.84Å; L314-F320 HydrophobicContact CG-CE2 4.27Å; L314-F320 HydrophobicContact CG-CG 4.43Å; L314-F320 VanDerWaalsContact O-CB 3.3Å; L314-F320 WeakPolarHBondContact O-CB 3.37Å; L314-F320 WeakPolarHBondContact O-CG 3.2Å; H317-F320 WeakPolarHBondContact O-CB 3.35Å; H317-F320 PolarHBondContact O-N 2.93Å; F320-E322 VanDerWaalsContact C-N 3.3Å; F320-E322 PolarHBondContact O-N 3.22Å; F320-V323 PolarHBondContact O-N 3.13Å; F320-L324 HydrophobicContact CD2-CD1 4.06Å; F320-L324 HydrophobicContact CD2-CG 3.99Å; F320-L324 HydrophobicContact CE1-CD1 4.18Å; F320-L324 HydrophobicContact CE2-CD1 3.67Å; F320-L324 HydrophobicContact CE2-CD2 3.92Å; F320-L324 HydrophobicContact CE2-CG 3.71Å; F320-L324 HydrophobicContact CG-CD1 4.47Å; F320-L324 HydrophobicContact CZ-CD1 3.74Å; F320-L324 HydrophobicContact CZ-CD2 4.46Å; F320-L324 HydrophobicContact CZ-CG 4.28Å; F320-L324 WeakPolarHBondContact O-CG 3.24Å; F320-L324 PolarHBondContact O-N 2.63Å; F320-K331 HydrophobicContact CD1-CD 3.99Å; F320-K331 HydrophobicContact CE1-CD 3.44Å; F320-K331 VanDerWaalsContact CE1-CD 3.44Å; F320-K331 HydrophobicContact CZ-CD 4.05Å; F320-F346 HydrophobicContact CE1-CD1 4.25Å; F320-F346 HydrophobicContact CE1-CE1 4.05Å; F320-F346 HydrophobicContact CE1-CE2 4.43Å; F320-F346 HydrophobicContact CE1-CZ 4.14Å; F320-L372 HydrophobicContact CE2-CD2 4.27Å
321	S	94.1	Very high	95.4	Very high	80 Å²	80	56.6 Å²	56.6	56%	0.559	27%	0.271	S	S	*	.	H	α-helix	trans	-62.5	-37.5	177.8	-61.2	0	0	0	0	112.3	K319 K325	K319-S321 PolarHBondContact O-N 2.92Å; S321-K325 WeakPolarHBondContact O-CB 3.45Å; S321-K325 PolarHBondContact O-N 3Å
322	E	96.1	Very high	94.9	Very high	71 Å²	71	59.2 Å²	59.2	33%	0.332	28%	0.281	S	S	.	.	H	α-helix	trans	-70.4	-42	177.4	178	62.3	-169.5	0	0	111.4	K319 F320 L324 K325 R326 M389	K319-E322 PolarHBondContact O-N 3.1Å; K319-E322 VanDerWaalsContact O-N 3.09Å; F320-E322 VanDerWaalsContact C-N 3.3Å; F320-E322 PolarHBondContact O-N 3.22Å; E322-L324 PolarHBondContact O-N 3.43Å; E322-K325 PolarHBondContact O-N 3.44Å; E322-R326 WeakPolarHBondContact O-CG 3.46Å; E322-R326 PolarHBondContact O-N 3.06Å; E322-R326 IonicContact OE1-CZ 2.74Å; E322-R326 IonicContact OE1-NE 2.73Å; E322-R326 PolarHBondContact OE1-NE 3.18Å; E322-R326 IonicContact OE1-NH2 2.58Å; E322-R326 PolarHBondContact OE1-NH2 2.92Å; E322-M389 HydrophobicContact CG-CE 4.06Å
323	V	97.9	Very high	93.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.2	-49.7	173.9	171.9	0	0	0	0	110.5	K319 F320 K325 R326 L327 L372 M375 M389 P390	K319-V323 WeakPolarHBondContact O-CG2 3.18Å; K319-V323 PolarHBondContact O-N 3.36Å; F320-V323 PolarHBondContact O-N 3.13Å; V323-K325 PolarHBondContact O-N 3.45Å; V323-R326 PolarHBondContact O-N 3.37Å; V323-L327 HydrophobicContact CG1-CD1 3.77Å; V323-L327 HydrophobicContact CG1-CG 4.46Å; V323-L327 WeakPolarHBondContact O-CB 3.26Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.34Å; V323-L327 PolarHBondContact O-N 3.49Å; V323-L372 HydrophobicContact CG1-CD2 3.73Å; V323-M375 HydrophobicContact CG1-CE 4.07Å; V323-M375 HydrophobicContact CG1-SD 3.83Å; V323-M375 HydrophobicContact CG2-CE 4.04Å; V323-M375 HydrophobicContact CG2-SD 4.06Å; V323-M389 HydrophobicContact CG2-CE 3.75Å; V323-M389 HydrophobicContact CG2-SD 3.57Å; V323-M389 VanDerWaalsContact CG2-SD 3.57Å; V323-P390 HydrophobicContact CG1-CG 4.4Å
324	L	96.3	Very high	92.6	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-44.7	178.3	-71.5	175	0	0	0	112.1	F320 E322 R326 L327 R328 L329 K331 V348 L372	F320-L324 HydrophobicContact CD2-CD1 4.06Å; F320-L324 HydrophobicContact CD2-CG 3.99Å; F320-L324 HydrophobicContact CE1-CD1 4.18Å; F320-L324 HydrophobicContact CE2-CD1 3.67Å; F320-L324 HydrophobicContact CE2-CD2 3.92Å; F320-L324 HydrophobicContact CE2-CG 3.71Å; F320-L324 HydrophobicContact CG-CD1 4.47Å; F320-L324 HydrophobicContact CZ-CD1 3.74Å; F320-L324 HydrophobicContact CZ-CD2 4.46Å; F320-L324 HydrophobicContact CZ-CG 4.28Å; F320-L324 WeakPolarHBondContact O-CG 3.24Å; F320-L324 PolarHBondContact O-N 2.63Å; E322-L324 PolarHBondContact O-N 3.43Å; L324-R326 PolarHBondContact O-N 3.4Å; L324-L327 CarbonylContact O-C 3.52Å; L324-L327 PolarHBondContact O-N 3.07Å; L324-R328 PolarHBondContact O-N 3.05Å; L324-L329 CarbonylContact C-O 3.5Å; L324-L329 HydrophobicContact CD2-CB 3.78Å; L324-L329 HydrophobicContact CD2-CD1 4.37Å; L324-L329 PolarHBondContact O-N 3.12Å; L324-K331 HydrophobicContact CD1-CB 3.78Å; L324-K331 HydrophobicContact CD1-CD 3.63Å; L324-K331 HydrophobicContact CD1-CG 3.77Å; L324-V348 HydrophobicContact CD2-CG1 4.14Å; L324-L372 HydrophobicContact CD2-CD1 4.06Å; L324-L372 HydrophobicContact CD2-CD2 4.45Å
325	K	93.9	Very high	91.1	Very high	134 Å²	134	57.9 Å²	57.9	58%	0.583	29%	0.292	S	S	*	.	H	α-helix	trans	-58.8	-46.1	177.6	-177.6	-176.7	176.3	-173	0	111.9	S321 E322 V323 L327 R328 Q392	S321-K325 WeakPolarHBondContact O-CB 3.45Å; S321-K325 PolarHBondContact O-N 3Å; E322-K325 PolarHBondContact O-N 3.44Å; V323-K325 PolarHBondContact O-N 3.45Å; K325-L327 VanDerWaalsContact C-N 3.3Å; K325-L327 PolarHBondContact O-N 3.11Å; K325-R328 PolarHBondContact O-N 3.19Å; K325-R328 VanDerWaalsContact O-N 3.08Å; K325-Q392 PolarHBondContact O-NE2 2.73Å
326	R	95.9	Very high	89.6	Confident	73 Å²	73	57.5 Å²	57.5	28%	0.275	29%	0.288	S	S	.	.	H	α-helix	trans	-65.7	-33.2	178.5	-70.5	-167	-169.6	-171.8	-1.3	113.1	E322 V323 L324 R328 P390 K393	E322-R326 WeakPolarHBondContact O-CG 3.46Å; E322-R326 PolarHBondContact O-N 3.06Å; E322-R326 IonicContact OE1-CZ 2.74Å; E322-R326 IonicContact OE1-NE 2.73Å; E322-R326 PolarHBondContact OE1-NE 3.18Å; E322-R326 IonicContact OE1-NH2 2.58Å; E322-R326 PolarHBondContact OE1-NH2 2.92Å; V323-R326 PolarHBondContact O-N 3.37Å; L324-R326 PolarHBondContact O-N 3.4Å; R326-R328 VanDerWaalsContact C-N 3.26Å; R326-R328 PolarHBondContact O-N 2.81Å; R326-P390 HydrophobicContact CB-CG 3.93Å; R326-P390 WeakPolarHBondContact CD-O 3.34Å; R326-P390 PolarHBondContact NH1-O 2.72Å; R326-K393 WeakPolarHBondContact O-CB 3.34Å; R326-K393 PolarHBondContact O-N 3.25Å
327	L	96.4	Very high	88	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.3	174.5	-65	174.3	0	0	0	113.7	V323 L324 K325 L329 L371 L372 P390	V323-L327 HydrophobicContact CG1-CD1 3.77Å; V323-L327 HydrophobicContact CG1-CG 4.46Å; V323-L327 WeakPolarHBondContact O-CB 3.26Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.34Å; V323-L327 PolarHBondContact O-N 3.49Å; L324-L327 CarbonylContact O-C 3.52Å; L324-L327 PolarHBondContact O-N 3.07Å; K325-L327 VanDerWaalsContact C-N 3.3Å; K325-L327 PolarHBondContact O-N 3.11Å; L327-L329 HydrophobicContact CB-CB 4.46Å; L327-L329 HydrophobicContact CB-CD1 3.95Å; L327-L329 HydrophobicContact CB-CG 3.83Å; L327-L329 HydrophobicContact CD1-CD1 4.19Å; L327-L329 PolarHBondContact O-N 2.99Å; L327-L371 HydrophobicContact CD1-CD2 4.29Å; L327-L371 HydrophobicContact CD2-CD2 4.04Å; L327-L372 HydrophobicContact CD1-CD2 4.22Å; L327-L372 HydrophobicContact CD1-CG 4.32Å; L327-P390 HydrophobicContact CD1-CG 4.49Å; L327-P390 HydrophobicContact CD2-CB 3.8Å; L327-P390 HydrophobicContact CD2-CG 3.82Å; L327-P390 HydrophobicContact CG-CB 4.39Å; L327-P390 HydrophobicContact CG-CG 3.85Å
328	R	94.8	Very high	86	Confident	54 Å²	54	52.3 Å²	52.3	20%	0.204	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	34.9	-173.5	-51.3	-178	73.3	93.3	4	113.1	L324 K325 R326 A351 D352 M364 K393	L324-R328 PolarHBondContact O-N 3.05Å; K325-R328 PolarHBondContact O-N 3.19Å; K325-R328 VanDerWaalsContact O-N 3.08Å; R326-R328 VanDerWaalsContact C-N 3.26Å; R326-R328 PolarHBondContact O-N 2.81Å; R328-A351 WeakPolarHBondContact O-CB 3.33Å; R328-A351 PolarHBondContact O-N 3.05Å; R328-D352 WeakPolarHBondContact CB-OD2 3.42Å; R328-D352 IonicContact CZ-OD1 3.78Å; R328-D352 IonicContact CZ-OD2 3.27Å; R328-D352 IonicContact NE-OD1 2.71Å; R328-D352 IonicContact NE-OD2 2.96Å; R328-D352 PolarHBondContact NE-OD2 2.94Å; R328-D352 IonicContact NH2-OD1 2.79Å; R328-D352 PolarHBondContact NH2-OD1 3.04Å; R328-D352 IonicContact NH2-OD2 3.48Å; R328-D352 PolarHBondContact NH2-OD2 3.33Å; R328-M364 HydrophobicContact CB-SD 4.39Å; R328-K393 WeakPolarHBondContact CD-O 3.1Å; R328-K393 HydrophobicContact CG-CB 3.94Å; R328-K393 PolarHBondContact NH1-O 2.86Å; R328-K393 VanDerWaalsContact NH1-O 3.16Å
329	L	95.6	Very high	84.2	Confident	9 Å²	9	46.8 Å²	46.8	5%	0.047	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	155.2	176	-59.5	-179.3	0	0	0	110.5	L324 L327 V348 S349 V365 L372	L324-L329 CarbonylContact C-O 3.5Å; L324-L329 HydrophobicContact CD2-CB 3.78Å; L324-L329 HydrophobicContact CD2-CD1 4.37Å; L324-L329 PolarHBondContact O-N 3.12Å; L327-L329 HydrophobicContact CB-CB 4.46Å; L327-L329 HydrophobicContact CB-CD1 3.95Å; L327-L329 HydrophobicContact CB-CG 3.83Å; L327-L329 HydrophobicContact CD1-CD1 4.19Å; L327-L329 PolarHBondContact O-N 2.99Å; L329-V348 HydrophobicContact CB-CG1 4.16Å; L329-V348 HydrophobicContact CD1-CG1 3.84Å; L329-V348 HydrophobicContact CG-CG1 4.47Å; L329-S349 CarbonylContact C-O 3.51Å; L329-S349 VanDerWaalsContact CA-O 3.3Å; L329-S349 WeakPolarHBondContact CA-O 3.17Å; L329-V365 HydrophobicContact CD2-CG2 4.05Å; L329-L372 HydrophobicContact CD1-CD1 4.12Å
330	Q	91.3	Very high	82.9	Confident	36 Å²	36	47.5 Å²	47.5	17%	0.168	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150	172.2	62.6	176.1	13.2	0	0	109.8	V348 S349 A351	Q330-V348 WeakPolarHBondContact O-CA 3.41Å; Q330-S349 WeakPolarHBondContact CG-O 3.22Å; Q330-S349 WeakPolarHBondContact CG-OG 3.37Å; Q330-S349 PolarHBondContact N-O 2.9Å; Q330-S349 PolarHBondContact NE2-OG 3.49Å; Q330-S349 PolarHBondContact O-N 3.16Å; Q330-A351 HydrophobicContact CB-CB 4.32Å
331	K	89.4	Confident	81.7	Confident	96 Å²	96	49.4 Å²	49.4	42%	0.417	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	141.2	173.7	65.6	-177.6	175.4	87.3	0	111.6	F320 L324 F346 D347	F320-K331 HydrophobicContact CD1-CD 3.99Å; F320-K331 HydrophobicContact CE1-CD 3.44Å; F320-K331 VanDerWaalsContact CE1-CD 3.44Å; F320-K331 HydrophobicContact CZ-CD 4.05Å; L324-K331 HydrophobicContact CD1-CB 3.78Å; L324-K331 HydrophobicContact CD1-CD 3.63Å; L324-K331 HydrophobicContact CD1-CG 3.77Å; K331-F346 HydrophobicContact CD-CD1 4.37Å; K331-D347 CarbonylContact C-O 3.54Å; K331-D347 WeakPolarHBondContact CA-O 3.34Å
332	R	85.3	Confident	80.8	Confident	55 Å²	55	50.5 Å²	50.5	21%	0.208	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	168.4	167.9	-59.6	-172.2	-175.6	-172.7	-6.8	109.8	R304 D347	R304-R332 VanDerWaalsContact NH2-CD 3.27Å; R332-D347 HydrophobicContact CB-CB 4.17Å; R332-D347 PolarHBondContact N-O 2.53Å; R332-D347 PolarHBondContact O-N 2.57Å; R332-D347 VanDerWaalsContact O-N 3.08Å
333	G	75.5	Confident	80.1	Confident	6 Å²	6	50.7 Å²	50.7	6%	0.062	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-70.8	171.9	171.4	0	0	0	0	0	112.8	G335 G336 T339 A340	G333-G335 VanDerWaalsContact C-N 3.26Å; G333-G335 PolarHBondContact O-N 3.04Å; G333-G336 PolarHBondContact O-N 3.31Å; G333-G336 VanDerWaalsContact O-N 3.08Å; G333-T339 WeakPolarHBondContact CA-O 3.21Å; G333-T339 PolarHBondContact N-O 3.14Å; G333-A340 VanDerWaalsContact CA-C 3.48Å; G333-A340 WeakPolarHBondContact CA-O 3.48Å
334	T	71.4	Confident	79.6	Confident	42 Å²	42	51.7 Å²	51.7	26%	0.258	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.1	-167.6	-41.8	0	0	0	0	113.7	H308 A340 V342 V345	H308-T334 PolarHBondContact CE1-O 2.85Å; H308-T334 PolarHBondContact NE2-O 3.23Å; T334-A340 PolarHBondContact N-O 3.12Å; T334-V342 PolarHBondContact OG1-N 3.43Å; T334-V345 HydrophobicContact CG2-CB 4.34Å; T334-V345 HydrophobicContact CG2-CG1 3.94Å; T334-V345 PolarHBondContact OG1-O 2.75Å; T334-V345 VanDerWaalsContact OG1-O 3.09Å
335	G	65.1	Low	79.4	Confident	62 Å²	62	52.3 Å²	52.3	64%	0.639	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	10.2	175.7	0	0	0	0	0	114.3	G333 T339	G333-G335 VanDerWaalsContact C-N 3.26Å; G333-G335 PolarHBondContact O-N 3.04Å; G335-T339 VanDerWaalsContact C-OG1 3.24Å; G335-T339 VanDerWaalsContact CA-OG1 3.24Å; G335-T339 WeakPolarHBondContact CA-OG1 3.32Å; G335-T339 PolarHBondContact N-OG1 3.26Å
336	G	63.5	Low	79.3	Confident	15 Å²	15	47 Å²	47	16%	0.155	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	107	-156.1	-179.6	0	0	0	0	0	114.2	G333 D338 T339	G333-G336 PolarHBondContact O-N 3.31Å; G333-G336 VanDerWaalsContact O-N 3.08Å; G336-D338 VanDerWaalsContact C-N 3.31Å; G336-D338 PolarHBondContact O-N 2.77Å; G336-T339 PolarHBondContact N-OG1 2.94Å; G336-T339 VanDerWaalsContact N-OG1 3.12Å; G336-T339 PolarHBondContact O-N 2.96Å; G336-T339 PolarHBondContact O-OG1 2.75Å
337	V	59.3	Low	79.2	Confident	41 Å²	41	44.3 Å²	44.3	25%	0.248	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.9	-163.9	69.9	0	0	0	0	115	I81	I81-V337 HydrophobicContact CD1-CG2 3.94Å; I81-V337 HydrophobicContact CG2-CG2 4.43Å
338	D	54.9	Low	79.2	Confident	82 Å²	82	44.1 Å²	44.1	44%	0.439	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	12.6	-175.9	-56.6	-43	0	0	0	112.8	H78 G336	H78-D338 IonicContact CE1-OD1 3.41Å; H78-D338 PolarHBondContact CE1-OD1 3.14Å; H78-D338 IonicContact NE2-OD1 2.66Å; H78-D338 PolarHBondContact NE2-OD1 3.19Å; G336-D338 VanDerWaalsContact C-N 3.31Å; G336-D338 PolarHBondContact O-N 2.77Å
339	T	59.9	Low	79.3	Confident	55 Å²	55	41.5 Å²	41.5	34%	0.337	28%	0.279	S	S	.	.	S	Bend	trans	-118.3	153.2	-175.3	68.9	0	0	0	0	112.1	G333 G335 G336	G333-T339 WeakPolarHBondContact CA-O 3.21Å; G333-T339 PolarHBondContact N-O 3.14Å; G335-T339 VanDerWaalsContact C-OG1 3.24Å; G335-T339 VanDerWaalsContact CA-OG1 3.24Å; G335-T339 WeakPolarHBondContact CA-OG1 3.32Å; G335-T339 PolarHBondContact N-OG1 3.26Å; G336-T339 PolarHBondContact N-OG1 2.94Å; G336-T339 VanDerWaalsContact N-OG1 3.12Å; G336-T339 PolarHBondContact O-N 2.96Å; G336-T339 PolarHBondContact O-OG1 2.75Å
340	A	67.7	Low	79.3	Confident	73 Å²	73	41.1 Å²	41.1	60%	0.603	28%	0.277	S	S	*	.			trans	-79.2	157.2	171.9	0	0	0	0	0	111.5	G333 T334	G333-A340 VanDerWaalsContact CA-C 3.48Å; G333-A340 WeakPolarHBondContact CA-O 3.48Å; T334-A340 PolarHBondContact N-O 3.12Å
341	A	71.6	Confident	79.3	Confident	44 Å²	44	40.6 Å²	40.6	36%	0.364	28%	0.279	S	S	.	.			trans	-71	129.4	168.2	0	0	0	0	0	109.5	V345 F346	A341-V345 WeakPolarHBondContact CB-O 3.43Å; A341-F346 HydrophobicContact CB-CD1 3.83Å; A341-F346 HydrophobicContact CB-CE1 3.69Å; A341-F346 HydrophobicContact CB-CZ 4.31Å
342	V	75.9	Confident	79.5	Confident	103 Å²	103	36.7 Å²	36.7	62%	0.624	26%	0.262	S	S	*	.	B	Isolated β-bridge	trans	-108.7	129.6	178.4	-177.2	0	0	0	0	109.1	T334 G344 V345	T334-V342 PolarHBondContact OG1-N 3.43Å; V342-G344 VanDerWaalsContact C-N 3.29Å; V342-G344 PolarHBondContact O-N 3.19Å; V342-V345 WeakPolarHBondContact O-CB 3.35Å; V342-V345 PolarHBondContact O-N 2.96Å; V342-V345 VanDerWaalsContact O-N 3.09Å
343	G	79.5	Confident	80	Confident	75 Å²	75	34.3 Å²	34.3	77%	0.773	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	25.1	172.3	0	0	0	0	0	115.7	V345	G343-V345 VanDerWaalsContact C-N 3.27Å; G343-V345 PolarHBondContact O-N 3.44Å
344	G	87.8	Confident	81.1	Confident	20 Å²	20	34.2 Å²	34.2	21%	0.206	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	14.7	-175.8	0	0	0	0	0	114	L311 V342 F346	L311-G344 PolarHBondContact N-O 3.45Å; V342-G344 VanDerWaalsContact C-N 3.29Å; V342-G344 PolarHBondContact O-N 3.19Å; G344-F346 VanDerWaalsContact O-CD2 3.31Å; G344-F346 WeakPolarHBondContact O-CD2 3.39Å; G344-F346 WeakPolarHBondContact O-CE2 3.48Å
345	V	92.5	Very high	82.3	Confident	20 Å²	20	33.6 Å²	33.6	12%	0.121	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.4	173.8	-176.8	0	0	0	0	109.9	L139 H308 I309 K310 T334 A341 V342 G343	L139-V345 HydrophobicContact CD1-CG1 3.92Å; L139-V345 HydrophobicContact CD1-CG2 4.05Å; H308-V345 HydrophobicContact CB-CG1 4.25Å; I309-V345 WeakPolarHBondContact O-CA 3.48Å; K310-V345 HydrophobicContact CG-CG2 3.93Å; T334-V345 HydrophobicContact CG2-CB 4.34Å; T334-V345 HydrophobicContact CG2-CG1 3.94Å; T334-V345 PolarHBondContact OG1-O 2.75Å; T334-V345 VanDerWaalsContact OG1-O 3.09Å; A341-V345 WeakPolarHBondContact CB-O 3.43Å; V342-V345 WeakPolarHBondContact O-CB 3.35Å; V342-V345 PolarHBondContact O-N 2.96Å; V342-V345 VanDerWaalsContact O-N 3.09Å; G343-V345 VanDerWaalsContact C-N 3.27Å; G343-V345 PolarHBondContact O-N 3.44Å
346	F	92.4	Very high	83.9	Confident	21 Å²	21	33.2 Å²	33.2	9%	0.092	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.5	-179.9	-60.6	-89.5	0	0	0	111.1	H308 I309 L311 F320 K331 A341 G344 V348	H308-F346 WeakPolarHBondContact CA-O 3.16Å; I309-F346 PolarHBondContact N-O 3.41Å; I309-F346 PolarHBondContact O-N 3.42Å; L311-F346 HydrophobicContact CB-CD2 3.94Å; L311-F346 HydrophobicContact CB-CE2 4.05Å; L311-F346 HydrophobicContact CD1-CD2 4.46Å; F320-F346 HydrophobicContact CE1-CD1 4.25Å; F320-F346 HydrophobicContact CE1-CE1 4.05Å; F320-F346 HydrophobicContact CE1-CE2 4.43Å; F320-F346 HydrophobicContact CE1-CZ 4.14Å; K331-F346 HydrophobicContact CD-CD1 4.37Å; A341-F346 HydrophobicContact CB-CD1 3.83Å; A341-F346 HydrophobicContact CB-CE1 3.69Å; A341-F346 HydrophobicContact CB-CZ 4.31Å; G344-F346 VanDerWaalsContact O-CD2 3.31Å; G344-F346 WeakPolarHBondContact O-CD2 3.39Å; G344-F346 WeakPolarHBondContact O-CE2 3.48Å; F346-V348 HydrophobicContact CB-CG2 3.95Å
347	D	93.3	Very high	85.5	Confident	17 Å²	17	32.8 Å²	32.8	9%	0.091	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	102.6	161.6	172.1	-1	0	0	0	107.8	R304 V307 K331 R332	R304-D347 IonicContact CZ-OD1 3.1Å; R304-D347 IonicContact CZ-OD2 2.73Å; R304-D347 IonicContact NH1-OD2 3.65Å; R304-D347 IonicContact NH2-OD1 3.85Å; R304-D347 PolarHBondContact NH2-OD1 3.41Å; R304-D347 IonicContact NH2-OD2 3.98Å; R304-D347 PolarHBondContact NH2-OD2 2.99Å; V307-D347 WeakPolarHBondContact O-CA 3.39Å; K331-D347 CarbonylContact C-O 3.54Å; K331-D347 WeakPolarHBondContact CA-O 3.34Å; R332-D347 HydrophobicContact CB-CB 4.17Å; R332-D347 PolarHBondContact N-O 2.53Å; R332-D347 PolarHBondContact O-N 2.57Å; R332-D347 VanDerWaalsContact O-N 3.08Å
348	V	96.1	Very high	87.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.9	178.9	178.5	0	0	0	0	109.1	G306 V307 I309 L324 L329 Q330 F346 L372	G306-V348 CarbonylContact C-O 3.53Å; G306-V348 WeakPolarHBondContact CA-O 3.48Å; V307-V348 HydrophobicContact CG2-CB 4.37Å; V307-V348 PolarHBondContact N-O 3.45Å; V307-V348 PolarHBondContact O-N 2.87Å; I309-V348 HydrophobicContact CG2-CB 4.16Å; I309-V348 HydrophobicContact CG2-CG2 3.65Å; L324-V348 HydrophobicContact CD2-CG1 4.14Å; L329-V348 HydrophobicContact CB-CG1 4.16Å; L329-V348 HydrophobicContact CD1-CG1 3.84Å; L329-V348 HydrophobicContact CG-CG1 4.47Å; Q330-V348 WeakPolarHBondContact O-CA 3.41Å; F346-V348 HydrophobicContact CB-CG2 3.95Å; V348-L372 HydrophobicContact CG1-CD1 3.99Å
349	S	97.1	Very high	89.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	164.9	-177	53.6	0	0	0	0	112.3	R304 A305 L329 Q330	R304-S349 PolarHBondContact NE-OG 2.88Å; R304-S349 PolarHBondContact NH2-OG 3.43Å; R304-S349 VanDerWaalsContact NH2-OG 3.15Å; A305-S349 WeakPolarHBondContact O-CA 3.49Å; A305-S349 WeakPolarHBondContact O-CB 3.47Å; L329-S349 CarbonylContact C-O 3.51Å; L329-S349 VanDerWaalsContact CA-O 3.3Å; L329-S349 WeakPolarHBondContact CA-O 3.17Å; Q330-S349 WeakPolarHBondContact CG-O 3.22Å; Q330-S349 WeakPolarHBondContact CG-OG 3.37Å; Q330-S349 PolarHBondContact N-O 2.9Å; Q330-S349 PolarHBondContact NE2-OG 3.49Å; Q330-S349 PolarHBondContact O-N 3.16Å
350	N	96.5	Very high	91.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	145.4	169.8	59.2	-58.2	0	0	0	111.1	L303 R304 A305 D352 R353 L361 V365	L303-N350 PolarHBondContact O-ND2 3.21Å; R304-N350 WeakPolarHBondContact CA-OD1 3.45Å; A305-N350 PolarHBondContact N-OD1 2.91Å; A305-N350 PolarHBondContact O-N 3.12Å; A305-N350 PolarHBondContact O-OD1 3.43Å; A305-N350 VanDerWaalsContact O-OD1 3.04Å; N350-D352 PolarHBondContact ND2-O 3.34Å; N350-R353 VanDerWaalsContact C-NH1 3.34Å; N350-R353 PolarHBondContact ND2-NH1 3.21Å; N350-R353 PolarHBondContact O-NH1 3.45Å; N350-R353 PolarHBondContact O-NH2 2.65Å; N350-R353 VanDerWaalsContact O-NH2 3.11Å; N350-L361 HydrophobicContact CB-CD2 4.42Å; N350-V365 HydrophobicContact CB-CG2 3.79Å
351	A	90.6	Very high	92.8	Very high	25 Å²	25	25.6 Å²	25.6	21%	0.207	17%	0.174	C	C	.	.	S	Bend	trans	-91	-33.9	176.8	0	0	0	0	0	112.8	R328 Q330 R353	R328-A351 WeakPolarHBondContact O-CB 3.33Å; R328-A351 PolarHBondContact O-N 3.05Å; Q330-A351 HydrophobicContact CB-CB 4.32Å; A351-R353 PolarHBondContact O-NH1 2.88Å; A351-R353 VanDerWaalsContact O-NH1 3.07Å
352	D	92.7	Very high	94.1	Very high	13 Å²	13	23.5 Å²	23.5	7%	0.07	16%	0.157	C	C	.	.			trans	-85.6	155	-178.1	-52	-72.4	0	0	0	112.9	R328 N350 F356 L361	R328-D352 WeakPolarHBondContact CB-OD2 3.42Å; R328-D352 IonicContact CZ-OD1 3.78Å; R328-D352 IonicContact CZ-OD2 3.27Å; R328-D352 IonicContact NE-OD1 2.71Å; R328-D352 IonicContact NE-OD2 2.96Å; R328-D352 PolarHBondContact NE-OD2 2.94Å; R328-D352 IonicContact NH2-OD1 2.79Å; R328-D352 PolarHBondContact NH2-OD1 3.04Å; R328-D352 IonicContact NH2-OD2 3.48Å; R328-D352 PolarHBondContact NH2-OD2 3.33Å; N350-D352 PolarHBondContact ND2-O 3.34Å; D352-F356 HydrophobicContact CB-CD2 3.83Å; D352-F356 HydrophobicContact CB-CE2 4.01Å; D352-L361 HydrophobicContact CB-CD2 4Å; D352-L361 WeakPolarHBondContact O-CD2 3.48Å
353	R	96.6	Very high	95.2	Very high	6 Å²	6	20.1 Å²	20.1	2%	0.023	13%	0.134	C	C	.	.			trans	-136.4	-37.4	178.6	-52.6	-68.1	-180	-89.9	1.1	112.5	S297 L299 T301 L303 N350 A351	S297-R353 VanDerWaalsContact O-CG 3.27Å; S297-R353 WeakPolarHBondContact O-CG 3.46Å; L299-R353 CarbonylContact O-C 3.6Å; L299-R353 VanDerWaalsContact O-CB 3.29Å; L299-R353 WeakPolarHBondContact O-CB 3.4Å; T301-R353 PolarHBondContact N-O 2.8Å; T301-R353 PolarHBondContact OG1-O 2.9Å; L303-R353 WeakPolarHBondContact O-CD 3.37Å; L303-R353 PolarHBondContact O-NE 2.97Å; L303-R353 VanDerWaalsContact O-NE 3.13Å; N350-R353 VanDerWaalsContact C-NH1 3.34Å; N350-R353 PolarHBondContact ND2-NH1 3.21Å; N350-R353 PolarHBondContact O-NH1 3.45Å; N350-R353 PolarHBondContact O-NH2 2.65Å; N350-R353 VanDerWaalsContact O-NH2 3.11Å; A351-R353 PolarHBondContact O-NH1 2.88Å; A351-R353 VanDerWaalsContact O-NH1 3.07Å
354	L	98.1	Very high	96.1	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.016	10%	0.102	C	C	.	.	S	Bend	trans	-104.4	151.8	-179.5	-174.7	61.5	0	0	0	110.3	I105 H109 Y112 H118 L299 G300 F356	I105-L354 HydrophobicContact CG2-CD2 3.54Å; H109-L354 HydrophobicContact CB-CB 4.27Å; Y112-L354 HydrophobicContact CD1-CD1 4.48Å; Y112-L354 HydrophobicContact CD1-CD2 3.33Å; Y112-L354 HydrophobicContact CD1-CG 3.67Å; Y112-L354 HydrophobicContact CD2-CG 4.16Å; Y112-L354 HydrophobicContact CE1-CD1 3.91Å; Y112-L354 HydrophobicContact CE1-CD2 3.5Å; Y112-L354 HydrophobicContact CE1-CG 3.6Å; Y112-L354 HydrophobicContact CE2-CG 4.13Å; Y112-L354 HydrophobicContact CG-CD2 3.93Å; Y112-L354 HydrophobicContact CG-CG 3.93Å; H118-L354 HydrophobicContact CB-CD1 4.02Å; L299-L354 HydrophobicContact CB-CD2 4.3Å; G300-L354 VanDerWaalsContact CA-CD1 3.44Å; L354-F356 VanDerWaalsContact C-N 3.26Å; L354-F356 PolarHBondContact O-N 2.99Å
355	G	97.5	Very high	96.6	Very high	29 Å²	29	16.5 Å²	16.5	30%	0.299	9%	0.092	S	C	.	.	S	Bend	trans	78.3	-7.9	-176.2	0	0	0	0	0	117	Y112	Y112-G355 VanDerWaalsContact CE2-CA 3.43Å
356	F	97.9	Very high	96.9	Very high	55 Å²	55	15.6 Å²	15.6	24%	0.241	9%	0.087	C	C	.	.	S	Bend	trans	-125.8	147.7	175.9	-63.5	-89.3	0	0	0	110.3	H118 T301 D352 L354 E360 L361 M364	H118-F356 PolarHBondContact CE1-O 3.24Å; H118-F356 VanDerWaalsContact CE1-O 3.25Å; T301-F356 WeakPolarHBondContact CG2-O 3.25Å; D352-F356 HydrophobicContact CB-CD2 3.83Å; D352-F356 HydrophobicContact CB-CE2 4.01Å; L354-F356 VanDerWaalsContact C-N 3.26Å; L354-F356 PolarHBondContact O-N 2.99Å; F356-E360 WeakPolarHBondContact CA-OE2 3.45Å; F356-E360 HydrophobicContact CB-CB 4.34Å; F356-E360 HydrophobicContact CD1-CB 4.46Å; F356-L361 HydrophobicContact CB-CD2 3.65Å; F356-L361 HydrophobicContact CB-CG 3.83Å; F356-L361 HydrophobicContact CD2-CD2 4.39Å; F356-L361 HydrophobicContact CG-CD2 4.14Å; F356-M364 HydrophobicContact CD1-CE 3.77Å; F356-M364 HydrophobicContact CE1-CE 4.07Å; F356-M364 HydrophobicContact CG-CE 4.04Å
357	S	98.6	Very high	97.2	Very high	6 Å²	6	18 Å²	18	4%	0.042	10%	0.1	C	C	.	.			trans	-76.2	164.7	173.8	80.9	0	0	0	0	112.6	K119 V359 E360 L361	K119-S357 VanDerWaalsContact O-CA 3.31Å; K119-S357 WeakPolarHBondContact O-CA 3.38Å; S357-V359 VanDerWaalsContact C-N 3.32Å; S357-V359 PolarHBondContact O-N 3.45Å; S357-E360 PolarHBondContact N-OE2 3.44Å; S357-E360 PolarHBondContact O-N 3.37Å; S357-E360 WeakPolarHBondContact OG-CG 3.4Å; S357-E360 PolarHBondContact OG-N 3.16Å; S357-L361 VanDerWaalsContact O-CG 3.3Å; S357-L361 WeakPolarHBondContact O-CG 3.27Å; S357-L361 PolarHBondContact O-N 2.96Å
358	E	98.8	Very high	97.5	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-59.5	-43	177.2	-66.4	87.1	164.2	0	0	112.1	T120 D121 L122 R147 F262 T301 L303 L361 V362	T120-E358 WeakPolarHBondContact CA-OE2 3.48Å; D121-E358 PolarHBondContact N-OE2 3.15Å; D121-E358 WeakPolarHBondContact O-CB 3.17Å; L122-E358 HydrophobicContact CD2-CB 3.97Å; L122-E358 HydrophobicContact CD2-CG 3.63Å; L122-E358 HydrophobicContact CG-CG 4.37Å; R147-E358 IonicContact NH2-OE1 3.8Å; F262-E358 HydrophobicContact CE2-CB 4.13Å; F262-E358 HydrophobicContact CZ-CB 4.03Å; T301-E358 HydrophobicContact CG2-CG 3.76Å; L303-E358 HydrophobicContact CB-CG 4.42Å; L303-E358 HydrophobicContact CD1-CB 3.6Å; L303-E358 HydrophobicContact CD1-CG 3.62Å; E358-L361 PolarHBondContact O-N 2.87Å; E358-V362 VanDerWaalsContact O-CG2 3.27Å; E358-V362 WeakPolarHBondContact O-CG2 3.35Å; E358-V362 PolarHBondContact O-N 3.3Å
359	V	98.8	Very high	97.6	Very high	12 Å²	12	17.2 Å²	17.2	7%	0.073	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-46.9	174.4	168.7	0	0	0	0	111.5	D121 N123 N126 F262 S357 L361 V362 Q363	D121-V359 HydrophobicContact CB-CB 4.36Å; D121-V359 HydrophobicContact CB-CG2 4.21Å; D121-V359 WeakPolarHBondContact O-CG2 3.34Å; D121-V359 PolarHBondContact O-N 3.01Å; N123-V359 VanDerWaalsContact O-CG2 3.27Å; N123-V359 WeakPolarHBondContact O-CG2 3.46Å; N126-V359 HydrophobicContact CB-CB 4.48Å; N126-V359 HydrophobicContact CB-CG1 3.79Å; N126-V359 HydrophobicContact CB-CG2 4.01Å; F262-V359 HydrophobicContact CE1-CG2 3.79Å; F262-V359 HydrophobicContact CZ-CG2 4.02Å; S357-V359 VanDerWaalsContact C-N 3.32Å; S357-V359 PolarHBondContact O-N 3.45Å; V359-L361 VanDerWaalsContact C-N 3.32Å; V359-L361 PolarHBondContact O-N 3.3Å; V359-V362 PolarHBondContact O-N 2.96Å; V359-Q363 WeakPolarHBondContact O-CB 3.43Å; V359-Q363 PolarHBondContact O-N 2.99Å
360	E	98.6	Very high	97.7	Very high	87 Å²	87	20.8 Å²	20.8	41%	0.407	11%	0.111	S	C	.	.	H	α-helix	trans	-60.3	-43.4	179.5	-73.1	172.2	147.6	0	0	111.3	F356 S357 Q363 M364	F356-E360 WeakPolarHBondContact CA-OE2 3.45Å; F356-E360 HydrophobicContact CB-CB 4.34Å; F356-E360 HydrophobicContact CD1-CB 4.46Å; S357-E360 PolarHBondContact N-OE2 3.44Å; S357-E360 PolarHBondContact O-N 3.37Å; S357-E360 WeakPolarHBondContact OG-CG 3.4Å; S357-E360 PolarHBondContact OG-N 3.16Å; E360-Q363 PolarHBondContact O-N 3.31Å; E360-M364 WeakPolarHBondContact O-CG 3.44Å; E360-M364 PolarHBondContact O-N 3.09Å
361	L	98.6	Very high	97.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.4	-43.8	177.9	-68.6	177.3	0	0	0	112.3	T301 L303 N350 D352 F356 S357 E358 V359 M364 V365	T301-L361 HydrophobicContact CG2-CD1 3.73Å; T301-L361 WeakPolarHBondContact OG1-CD1 3.16Å; L303-L361 HydrophobicContact CB-CD1 4.19Å; L303-L361 HydrophobicContact CD2-CB 3.94Å; L303-L361 HydrophobicContact CD2-CD1 4.23Å; N350-L361 HydrophobicContact CB-CD2 4.42Å; D352-L361 HydrophobicContact CB-CD2 4Å; D352-L361 WeakPolarHBondContact O-CD2 3.48Å; F356-L361 HydrophobicContact CB-CD2 3.65Å; F356-L361 HydrophobicContact CB-CG 3.83Å; F356-L361 HydrophobicContact CD2-CD2 4.39Å; F356-L361 HydrophobicContact CG-CD2 4.14Å; S357-L361 VanDerWaalsContact O-CG 3.3Å; S357-L361 WeakPolarHBondContact O-CG 3.27Å; S357-L361 PolarHBondContact O-N 2.96Å; E358-L361 PolarHBondContact O-N 2.87Å; V359-L361 VanDerWaalsContact C-N 3.32Å; V359-L361 PolarHBondContact O-N 3.3Å; L361-M364 HydrophobicContact CD2-CE 3.59Å; L361-M364 PolarHBondContact O-N 3.06Å; L361-V365 WeakPolarHBondContact O-CG2 3.46Å; L361-V365 PolarHBondContact O-N 3.39Å
362	V	98.8	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.9	-38.7	178.2	178.6	0	0	0	0	110.9	L127 M258 F262 L303 A305 E358 V359 M364 V365 V366	L127-V362 HydrophobicContact CD1-CB 4.11Å; L127-V362 HydrophobicContact CD1-CG1 3.71Å; L127-V362 HydrophobicContact CD2-CG1 3.84Å; L127-V362 HydrophobicContact CG-CG1 4.46Å; M258-V362 HydrophobicContact CG-CG1 3.87Å; M258-V362 HydrophobicContact SD-CG1 4.49Å; F262-V362 HydrophobicContact CB-CG1 4.38Å; F262-V362 HydrophobicContact CD1-CG1 4.46Å; F262-V362 HydrophobicContact CD2-CG2 3.67Å; F262-V362 HydrophobicContact CE2-CG2 3.69Å; F262-V362 HydrophobicContact CG-CG1 4.22Å; F262-V362 HydrophobicContact CG-CG2 4.13Å; F262-V362 HydrophobicContact CZ-CG2 4.17Å; L303-V362 HydrophobicContact CD1-CG2 4.19Å; L303-V362 HydrophobicContact CD2-CG2 4.13Å; A305-V362 HydrophobicContact CB-CG2 3.84Å; E358-V362 VanDerWaalsContact O-CG2 3.27Å; E358-V362 WeakPolarHBondContact O-CG2 3.35Å; E358-V362 PolarHBondContact O-N 3.3Å; V359-V362 PolarHBondContact O-N 2.96Å; V362-M364 VanDerWaalsContact C-N 3.34Å; V362-M364 PolarHBondContact O-N 3.39Å; V362-V365 WeakPolarHBondContact O-CB 3.34Å; V362-V365 PolarHBondContact O-N 3.32Å; V362-V365 VanDerWaalsContact O-N 3.15Å; V362-V366 HydrophobicContact CG1-CG2 4.39Å; V362-V366 WeakPolarHBondContact O-CG2 3.21Å; V362-V366 PolarHBondContact O-N 3.33Å
363	Q	98.8	Very high	98.4	Very high	31 Å²	31	20.9 Å²	20.9	15%	0.145	11%	0.108	C	C	.	.	H	α-helix	trans	-60.9	-43.3	175	-169.1	66.8	59.1	0	0	111.2	L127 Q128 V359 E360 V365 V366 D367	L127-Q363 HydrophobicContact CD1-CB 4.17Å; Q128-Q363 PolarHBondContact O-NE2 2.83Å; Q128-Q363 VanDerWaalsContact O-NE2 3.08Å; Q128-Q363 PolarHBondContact O-OE1 3.23Å; V359-Q363 WeakPolarHBondContact O-CB 3.43Å; V359-Q363 PolarHBondContact O-N 2.99Å; E360-Q363 PolarHBondContact O-N 3.31Å; Q363-V365 VanDerWaalsContact C-N 3.26Å; Q363-V365 PolarHBondContact O-N 3.03Å; Q363-V366 PolarHBondContact O-N 3.17Å; Q363-D367 PolarHBondContact NE2-OD1 3.37Å; Q363-D367 VanDerWaalsContact O-CG 3.22Å; Q363-D367 PolarHBondContact O-N 2.65Å
364	M	98.3	Very high	98.5	Very high	20 Å²	20	24.6 Å²	24.6	10%	0.099	13%	0.126	C	C	.	.	H	α-helix	trans	-58.1	-38.6	174.9	-77.2	-168.5	-78.8	0	0	112.7	R328 F356 E360 L361 V362 G368	R328-M364 HydrophobicContact CB-SD 4.39Å; F356-M364 HydrophobicContact CD1-CE 3.77Å; F356-M364 HydrophobicContact CE1-CE 4.07Å; F356-M364 HydrophobicContact CG-CE 4.04Å; E360-M364 WeakPolarHBondContact O-CG 3.44Å; E360-M364 PolarHBondContact O-N 3.09Å; L361-M364 HydrophobicContact CD2-CE 3.59Å; L361-M364 PolarHBondContact O-N 3.06Å; V362-M364 VanDerWaalsContact C-N 3.34Å; V362-M364 PolarHBondContact O-N 3.39Å; M364-G368 PolarHBondContact O-N 2.99Å
365	V	98.6	Very high	98.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.1	-47.7	175.2	175	0	0	0	0	111	M258 A305 L329 N350 L361 V362 Q363 D367 G368 V369	M258-V365 HydrophobicContact CE-CG1 4.34Å; A305-V365 HydrophobicContact CB-CG2 4.09Å; A305-V365 WeakPolarHBondContact O-CG2 3.25Å; L329-V365 HydrophobicContact CD2-CG2 4.05Å; N350-V365 HydrophobicContact CB-CG2 3.79Å; L361-V365 WeakPolarHBondContact O-CG2 3.46Å; L361-V365 PolarHBondContact O-N 3.39Å; V362-V365 WeakPolarHBondContact O-CB 3.34Å; V362-V365 PolarHBondContact O-N 3.32Å; V362-V365 VanDerWaalsContact O-N 3.15Å; Q363-V365 VanDerWaalsContact C-N 3.26Å; Q363-V365 PolarHBondContact O-N 3.03Å; V365-D367 PolarHBondContact O-N 3.35Å; V365-G368 PolarHBondContact O-N 3.37Å; V365-V369 HydrophobicContact CG1-CG2 4.02Å; V365-V369 VanDerWaalsContact O-CB 3.23Å; V365-V369 WeakPolarHBondContact O-CB 3.4Å; V365-V369 WeakPolarHBondContact O-CG2 3.49Å; V365-V369 PolarHBondContact O-N 3.16Å
366	V	98.8	Very high	98.6	Very high	1 Å²	1	23 Å²	23	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-56.8	-52.9	178.8	167.9	0	0	0	0	110.7	L127 L133 M258 V362 Q363 G368 V369 K370	L127-V366 HydrophobicContact CD1-CG2 4.43Å; L133-V366 HydrophobicContact CD2-CG1 4.47Å; M258-V366 HydrophobicContact CB-CG2 4.19Å; M258-V366 HydrophobicContact CG-CG2 3.97Å; V362-V366 HydrophobicContact CG1-CG2 4.39Å; V362-V366 WeakPolarHBondContact O-CG2 3.21Å; V362-V366 PolarHBondContact O-N 3.33Å; Q363-V366 PolarHBondContact O-N 3.17Å; V366-G368 PolarHBondContact O-N 3.4Å; V366-V369 PolarHBondContact O-N 3.49Å; V366-K370 WeakPolarHBondContact O-CG 3.43Å; V366-K370 PolarHBondContact O-N 3.44Å; V366-K370 VanDerWaalsContact O-N 3.09Å
367	D	98.7	Very high	98.6	Very high	71 Å²	71	23.5 Å²	23.5	38%	0.38	11%	0.114	S	C	.	.	H	α-helix	trans	-63.8	-45.7	-178.4	-61.1	-14.5	0	0	0	111.7	Q363 V365 K370 L371 K393	Q363-D367 PolarHBondContact NE2-OD1 3.37Å; Q363-D367 VanDerWaalsContact O-CG 3.22Å; Q363-D367 PolarHBondContact O-N 2.65Å; V365-D367 PolarHBondContact O-N 3.35Å; D367-K370 PolarHBondContact O-N 2.99Å; D367-L371 PolarHBondContact O-N 2.91Å; D367-L371 VanDerWaalsContact O-N 3.14Å; D367-K393 IonicContact OD2-NZ 3.35Å
368	G	98.5	Very high	98.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.9	-42.4	-177.9	0	0	0	0	0	111.8	M364 V365 V366 K370 L371 L372	M364-G368 PolarHBondContact O-N 2.99Å; V365-G368 PolarHBondContact O-N 3.37Å; V366-G368 PolarHBondContact O-N 3.4Å; G368-K370 PolarHBondContact O-N 2.9Å; G368-L371 PolarHBondContact O-N 3.17Å; G368-L372 VanDerWaalsContact O-CG 3.27Å; G368-L372 WeakPolarHBondContact O-CG 3.26Å; G368-L372 PolarHBondContact O-N 3.29Å
369	V	98.7	Very high	98.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.9	-41	177	169.8	0	0	0	0	111.4	L133 V138 V307 I309 V365 V366 L371 L372 I373	L133-V369 HydrophobicContact CD1-CG1 4.11Å; L133-V369 HydrophobicContact CD2-CB 4.47Å; L133-V369 HydrophobicContact CD2-CG1 4.14Å; V138-V369 HydrophobicContact CG2-CG1 3.91Å; V307-V369 HydrophobicContact CG1-CG2 4.49Å; V307-V369 HydrophobicContact CG2-CG1 4.1Å; V307-V369 HydrophobicContact CG2-CG2 3.57Å; I309-V369 HydrophobicContact CD1-CG1 4.07Å; V365-V369 HydrophobicContact CG1-CG2 4.02Å; V365-V369 VanDerWaalsContact O-CB 3.23Å; V365-V369 WeakPolarHBondContact O-CB 3.4Å; V365-V369 WeakPolarHBondContact O-CG2 3.49Å; V365-V369 PolarHBondContact O-N 3.16Å; V366-V369 PolarHBondContact O-N 3.49Å; V369-L371 VanDerWaalsContact C-N 3.33Å; V369-L371 PolarHBondContact O-N 3.49Å; V369-L372 PolarHBondContact O-N 3.13Å; V369-I373 HydrophobicContact CG1-CD1 3.93Å; V369-I373 HydrophobicContact CG1-CG1 4.48Å; V369-I373 VanDerWaalsContact O-CG1 3.31Å; V369-I373 WeakPolarHBondContact O-CG1 3.38Å; V369-I373 PolarHBondContact O-N 3.34Å
370	K	98.8	Very high	98.6	Very high	75 Å²	75	30.9 Å²	30.9	33%	0.326	15%	0.145	S	C	.	.	H	α-helix	trans	-58	-45.1	174.3	-74.1	-174.7	177.5	-160.5	0	111.8	D132 L133 V366 D367 G368 I373 E374	D132-K370 WeakPolarHBondContact OD1-CE 3.35Å; D132-K370 IonicContact OD1-NZ 2.77Å; D132-K370 PolarHBondContact OD1-NZ 2.83Å; D132-K370 IonicContact OD2-NZ 3.04Å; D132-K370 PolarHBondContact OD2-NZ 2.85Å; L133-K370 HydrophobicContact CD2-CD 4.39Å; L133-K370 HydrophobicContact CD2-CG 3.63Å; V366-K370 WeakPolarHBondContact O-CG 3.43Å; V366-K370 PolarHBondContact O-N 3.44Å; V366-K370 VanDerWaalsContact O-N 3.09Å; D367-K370 PolarHBondContact O-N 2.99Å; G368-K370 PolarHBondContact O-N 2.9Å; K370-I373 PolarHBondContact O-N 3.12Å; K370-E374 PolarHBondContact O-N 3.11Å
371	L	98.8	Very high	98.5	Very high	32 Å²	32	33 Å²	33	17%	0.168	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-40.2	176.7	-177.6	62.2	0	0	0	112.6	L327 D367 G368 V369 I373 E374 M375 L388 P390	L327-L371 HydrophobicContact CD1-CD2 4.29Å; L327-L371 HydrophobicContact CD2-CD2 4.04Å; D367-L371 PolarHBondContact O-N 2.91Å; D367-L371 VanDerWaalsContact O-N 3.14Å; G368-L371 PolarHBondContact O-N 3.17Å; V369-L371 VanDerWaalsContact C-N 3.33Å; V369-L371 PolarHBondContact O-N 3.49Å; L371-I373 VanDerWaalsContact C-N 3.28Å; L371-I373 PolarHBondContact O-N 3.01Å; L371-E374 PolarHBondContact O-N 3.32Å; L371-M375 HydrophobicContact CD1-CE 4.25Å; L371-M375 HydrophobicContact CD2-CE 4.09Å; L371-M375 HydrophobicContact CG-CE 4.02Å; L371-M375 WeakPolarHBondContact O-CG 3.41Å; L371-M375 PolarHBondContact O-N 3.2Å; L371-L388 HydrophobicContact CD1-CB 4.34Å; L371-P390 HydrophobicContact CD2-CB 3.87Å; L371-P390 HydrophobicContact CD2-CG 3.95Å
372	L	98.7	Very high	98.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-37.8	176.9	-67	175.2	0	0	0	111.7	L311 L314 F320 V323 L324 L327 L329 V348 G368 V369 E376	L311-L372 HydrophobicContact CD1-CB 4.43Å; L311-L372 HydrophobicContact CD1-CD1 4.4Å; L311-L372 HydrophobicContact CD2-CB 4.4Å; L314-L372 HydrophobicContact CD2-CB 4.23Å; L314-L372 HydrophobicContact CD2-CD2 3.55Å; L314-L372 HydrophobicContact CD2-CG 4.48Å; F320-L372 HydrophobicContact CE2-CD2 4.27Å; V323-L372 HydrophobicContact CG1-CD2 3.73Å; L324-L372 HydrophobicContact CD2-CD1 4.06Å; L324-L372 HydrophobicContact CD2-CD2 4.45Å; L327-L372 HydrophobicContact CD1-CD2 4.22Å; L327-L372 HydrophobicContact CD1-CG 4.32Å; L329-L372 HydrophobicContact CD1-CD1 4.12Å; V348-L372 HydrophobicContact CG1-CD1 3.99Å; G368-L372 VanDerWaalsContact O-CG 3.27Å; G368-L372 WeakPolarHBondContact O-CG 3.26Å; G368-L372 PolarHBondContact O-N 3.29Å; V369-L372 PolarHBondContact O-N 3.13Å; L372-E376 WeakPolarHBondContact O-CB 3.41Å; L372-E376 PolarHBondContact O-N 3.23Å
373	I	98.7	Very high	98.4	Very high	9 Å²	9	40.5 Å²	40.5	5%	0.046	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-45.1	175	-66.2	164.7	0	0	0	110.5	D134 Y137 V138 I309 V369 K370 L371 M375 E376 Q377	D134-I373 HydrophobicContact CB-CD1 4.19Å; D134-I373 HydrophobicContact CB-CG2 4.21Å; Y137-I373 HydrophobicContact CD2-CG2 3.73Å; Y137-I373 HydrophobicContact CE2-CG2 4.04Å; Y137-I373 HydrophobicContact CG-CG1 4.35Å; Y137-I373 HydrophobicContact CG-CG2 4.11Å; V138-I373 HydrophobicContact CG2-CD1 3.99Å; I309-I373 HydrophobicContact CD1-CD1 4.3Å; I309-I373 HydrophobicContact CD1-CG1 3.66Å; V369-I373 HydrophobicContact CG1-CD1 3.93Å; V369-I373 HydrophobicContact CG1-CG1 4.48Å; V369-I373 VanDerWaalsContact O-CG1 3.31Å; V369-I373 WeakPolarHBondContact O-CG1 3.38Å; V369-I373 PolarHBondContact O-N 3.34Å; K370-I373 PolarHBondContact O-N 3.12Å; L371-I373 VanDerWaalsContact C-N 3.28Å; L371-I373 PolarHBondContact O-N 3.01Å; I373-M375 VanDerWaalsContact C-N 3.33Å; I373-M375 PolarHBondContact O-N 2.83Å; I373-E376 PolarHBondContact O-N 3.28Å; I373-Q377 HydrophobicContact CG2-CG 4.39Å; I373-Q377 WeakPolarHBondContact O-CG 3.26Å; I373-Q377 PolarHBondContact O-N 3.16Å
374	E	98.6	Very high	98.3	Very high	84 Å²	84	41.9 Å²	41.9	39%	0.393	23%	0.226	S	C	.	.	H	α-helix	trans	-60.2	-43.5	177	-173.5	-178.8	170	0	0	111.8	K370 L371 Q377 R378 L388	K370-E374 PolarHBondContact O-N 3.11Å; L371-E374 PolarHBondContact O-N 3.32Å; E374-Q377 PolarHBondContact O-N 3.4Å; E374-R378 WeakPolarHBondContact O-CG 3.43Å; E374-R378 PolarHBondContact O-N 2.99Å; E374-L388 HydrophobicContact CG-CD1 3.97Å; E374-L388 WeakPolarHBondContact OE1-CD2 3.44Å
375	M	98.7	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-43.7	174.7	-73	-177.9	173.9	0	0	112	L314 V323 L371 I373 R378 L379 I385 L388	L314-M375 HydrophobicContact CD1-CB 4.3Å; L314-M375 HydrophobicContact CD1-SD 4.29Å; L314-M375 HydrophobicContact CD2-CB 3.93Å; L314-M375 HydrophobicContact CD2-SD 4.27Å; V323-M375 HydrophobicContact CG1-CE 4.07Å; V323-M375 HydrophobicContact CG1-SD 3.83Å; V323-M375 HydrophobicContact CG2-CE 4.04Å; V323-M375 HydrophobicContact CG2-SD 4.06Å; L371-M375 HydrophobicContact CD1-CE 4.25Å; L371-M375 HydrophobicContact CD2-CE 4.09Å; L371-M375 HydrophobicContact CG-CE 4.02Å; L371-M375 WeakPolarHBondContact O-CG 3.41Å; L371-M375 PolarHBondContact O-N 3.2Å; I373-M375 VanDerWaalsContact C-N 3.33Å; I373-M375 PolarHBondContact O-N 2.83Å; M375-R378 PolarHBondContact O-N 3.39Å; M375-L379 WeakPolarHBondContact O-CG 3.41Å; M375-L379 PolarHBondContact O-N 3.44Å; M375-I385 HydrophobicContact CB-CD1 4.47Å; M375-I385 HydrophobicContact CB-CG2 4.13Å; M375-I385 HydrophobicContact CG-CB 4.31Å; M375-I385 HydrophobicContact CG-CD1 4.44Å; M375-I385 HydrophobicContact CG-CG2 4.28Å; M375-I385 HydrophobicContact SD-CD1 4.22Å; M375-L388 HydrophobicContact CE-CB 3.74Å; M375-L388 WeakPolarHBondContact CE-O 3.48Å; M375-L388 HydrophobicContact CG-CB 4.14Å; M375-L388 HydrophobicContact CG-CD1 4.01Å
376	E	98.6	Very high	98.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-47.4	176.7	-172.4	65.9	-163.5	0	0	111.2	Y137 L311 P312 H313 L314 L372 I373 R378 L379 E380	Y137-E376 HydrophobicContact CD1-CB 4.44Å; Y137-E376 HydrophobicContact CD1-CG 3.97Å; Y137-E376 HydrophobicContact CE1-CB 4.19Å; Y137-E376 HydrophobicContact CE1-CG 3.62Å; L311-E376 WeakPolarHBondContact CA-OE2 2.99Å; L311-E376 HydrophobicContact CD2-CB 3.8Å; L311-E376 HydrophobicContact CD2-CG 4.07Å; P312-E376 WeakPolarHBondContact CD-OE1 3.4Å; P312-E376 VanDerWaalsContact CG-OE1 3.26Å; P312-E376 WeakPolarHBondContact CG-OE1 3.42Å; P312-E376 VanDerWaalsContact N-OE1 3.15Å; H313-E376 WeakPolarHBondContact CB-OE1 3.37Å; H313-E376 IonicContact CD2-OE1 3.91Å; H313-E376 PolarHBondContact CD2-OE1 3.42Å; H313-E376 VanDerWaalsContact CD2-OE1 3.23Å; H313-E376 IonicContact CG-OE1 2.82Å; H313-E376 PolarHBondContact N-OE1 3.31Å; L314-E376 WeakPolarHBondContact CB-OE2 3.42Å; L314-E376 PolarHBondContact N-OE2 3.31Å; L372-E376 WeakPolarHBondContact O-CB 3.41Å; L372-E376 PolarHBondContact O-N 3.23Å; I373-E376 PolarHBondContact O-N 3.28Å; E376-R378 VanDerWaalsContact C-N 3.3Å; E376-R378 PolarHBondContact O-N 3.11Å; E376-L379 PolarHBondContact O-N 3.2Å; E376-L379 VanDerWaalsContact O-N 3.12Å; E376-E380 WeakPolarHBondContact O-CG 3.25Å; E376-E380 PolarHBondContact O-N 2.82Å
377	Q	98.6	Very high	98.1	Very high	64 Å²	64	50.3 Å²	50.3	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-59.1	-38.4	178.1	-74.5	172	-5.8	0	0	112.7	Y137 I373 E374 Q381	Y137-Q377 HydrophobicContact CE2-CG 4.05Å; Y137-Q377 VanDerWaalsContact OH-CG 3.23Å; Y137-Q377 WeakPolarHBondContact OH-CG 3.46Å; I373-Q377 HydrophobicContact CG2-CG 4.39Å; I373-Q377 WeakPolarHBondContact O-CG 3.26Å; I373-Q377 PolarHBondContact O-N 3.16Å; E374-Q377 PolarHBondContact O-N 3.4Å; Q377-Q381 WeakPolarHBondContact O-CG 3.36Å; Q377-Q381 PolarHBondContact O-N 2.97Å; Q377-Q381 PolarHBondContact O-NE2 3.16Å
378	R	98.3	Very high	98	Very high	57 Å²	57	48.1 Å²	48.1	22%	0.215	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-44.3	174.1	-74.5	-141.1	-168.7	165.7	6.8	112.1	E374 M375 E376 E380 Q381 G382 Q383 A384 I385 D387 L388	E374-R378 WeakPolarHBondContact O-CG 3.43Å; E374-R378 PolarHBondContact O-N 2.99Å; M375-R378 PolarHBondContact O-N 3.39Å; E376-R378 VanDerWaalsContact C-N 3.3Å; E376-R378 PolarHBondContact O-N 3.11Å; R378-E380 VanDerWaalsContact C-N 3.33Å; R378-E380 PolarHBondContact O-N 3.14Å; R378-Q381 CarbonylContact O-C 3.59Å; R378-Q381 PolarHBondContact O-N 3.22Å; R378-Q381 VanDerWaalsContact O-N 3.11Å; R378-G382 PolarHBondContact O-N 3.07Å; R378-Q383 HydrophobicContact CB-CB 4.13Å; R378-Q383 WeakPolarHBondContact O-CB 3.33Å; R378-Q383 PolarHBondContact O-N 3.43Å; R378-A384 PolarHBondContact NH1-O 3.05Å; R378-I385 HydrophobicContact CB-CG2 3.93Å; R378-D387 IonicContact CZ-OD1 3.04Å; R378-D387 IonicContact CZ-OD2 2.68Å; R378-D387 IonicContact NH1-OD1 3.49Å; R378-D387 PolarHBondContact NH1-OD1 3.24Å; R378-D387 IonicContact NH1-OD2 3.51Å; R378-D387 PolarHBondContact NH1-OD2 3.37Å; R378-D387 IonicContact NH2-OD2 3.2Å; R378-D387 PolarHBondContact NH2-OD2 2.81Å; R378-L388 HydrophobicContact CG-CD1 4.2Å
379	L	98.3	Very high	98	Very high	30 Å²	30	50 Å²	50	16%	0.157	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-35.1	179.2	-68.4	174.2	0	0	0	112.3	H313 L314 H317 M375 E376 Q381 G382 I385	H313-L379 HydrophobicContact CB-CB 3.66Å; H313-L379 HydrophobicContact CB-CD1 4.06Å; L314-L379 HydrophobicContact CB-CD1 3.93Å; L314-L379 HydrophobicContact CD1-CD1 4.05Å; H317-L379 HydrophobicContact CB-CD1 4.44Å; M375-L379 WeakPolarHBondContact O-CG 3.41Å; M375-L379 PolarHBondContact O-N 3.44Å; E376-L379 PolarHBondContact O-N 3.2Å; E376-L379 VanDerWaalsContact O-N 3.12Å; L379-Q381 PolarHBondContact O-N 2.95Å; L379-G382 PolarHBondContact O-N 3.21Å; L379-I385 HydrophobicContact CD1-CD1 4.27Å; L379-I385 HydrophobicContact CD2-CG1 4.46Å; L379-I385 HydrophobicContact CD2-CG2 4.03Å; L379-I385 HydrophobicContact CG-CG2 3.88Å
380	E	97.6	Very high	97.8	Very high	88 Å²	88	51 Å²	51	41%	0.411	28%	0.275	S	S	.	.	H	α-helix	trans	-59.5	-32.8	172	-74.8	174.6	167	0	0	112.2	Y137 E376 R378 G382	Y137-E380 WeakPolarHBondContact CE1-OE1 3.16Å; Y137-E380 PolarHBondContact OH-OE1 3.23Å; Y137-E380 PolarHBondContact OH-OE2 3.05Å; E376-E380 WeakPolarHBondContact O-CG 3.25Å; E376-E380 PolarHBondContact O-N 2.82Å; R378-E380 VanDerWaalsContact C-N 3.33Å; R378-E380 PolarHBondContact O-N 3.14Å; E380-G382 VanDerWaalsContact C-N 3.32Å
381	Q	97.8	Very high	97.7	Very high	130 Å²	130	51.2 Å²	51.2	61%	0.607	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	3.1	176.3	-63.5	171.6	40.5	0	0	113.4	Q377 R378 L379 Q383	Q377-Q381 WeakPolarHBondContact O-CG 3.36Å; Q377-Q381 PolarHBondContact O-N 2.97Å; Q377-Q381 PolarHBondContact O-NE2 3.16Å; R378-Q381 CarbonylContact O-C 3.59Å; R378-Q381 PolarHBondContact O-N 3.22Å; R378-Q381 VanDerWaalsContact O-N 3.11Å; L379-Q381 PolarHBondContact O-N 2.95Å; Q381-Q383 VanDerWaalsContact C-N 3.29Å; Q381-Q383 HydrophobicContact CB-CG 4.13Å; Q381-Q383 PolarHBondContact O-N 3.07Å
382	G	97	Very high	97.4	Very high	72 Å²	72	54.7 Å²	54.7	74%	0.742	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	20.9	-176.8	0	0	0	0	0	114.3	R378 L379 E380	R378-G382 PolarHBondContact O-N 3.07Å; L379-G382 PolarHBondContact O-N 3.21Å; E380-G382 VanDerWaalsContact C-N 3.32Å
383	Q	98	Very high	96.7	Very high	86 Å²	86	59.5 Å²	59.5	40%	0.402	33%	0.328	S	S	.	.			trans	-92.9	151.8	179.6	-61.3	171.6	4.9	0	0	111.4	R378 Q381	R378-Q383 HydrophobicContact CB-CB 4.13Å; R378-Q383 WeakPolarHBondContact O-CB 3.33Å; R378-Q383 PolarHBondContact O-N 3.43Å; Q381-Q383 VanDerWaalsContact C-N 3.29Å; Q381-Q383 HydrophobicContact CB-CG 4.13Å; Q381-Q383 PolarHBondContact O-N 3.07Å
384	A	97	Very high	96.6	Very high	61 Å²	61	62.1 Å²	62.1	50%	0.504	34%	0.342	S	S	.	.			trans	-72.5	154.2	174.4	0	0	0	0	0	111.8	R378	R378-A384 PolarHBondContact NH1-O 3.05Å
385	I	98.1	Very high	96.5	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	34%	0.339	C	S	.	.			trans	-118.1	8.1	179.8	60.9	165	0	0	0	112.9	L314 M375 R378 L379 D387 L388	L314-I385 HydrophobicContact CD1-CD1 3.7Å; M375-I385 HydrophobicContact CB-CD1 4.47Å; M375-I385 HydrophobicContact CB-CG2 4.13Å; M375-I385 HydrophobicContact CG-CB 4.31Å; M375-I385 HydrophobicContact CG-CD1 4.44Å; M375-I385 HydrophobicContact CG-CG2 4.28Å; M375-I385 HydrophobicContact SD-CD1 4.22Å; R378-I385 HydrophobicContact CB-CG2 3.93Å; L379-I385 HydrophobicContact CD1-CD1 4.27Å; L379-I385 HydrophobicContact CD2-CG1 4.46Å; L379-I385 HydrophobicContact CD2-CG2 4.03Å; L379-I385 HydrophobicContact CG-CG2 3.88Å; I385-D387 PolarHBondContact O-N 3.29Å; I385-L388 WeakPolarHBondContact O-CB 3.48Å; I385-L388 PolarHBondContact O-N 3.11Å
386	D	96.3	Very high	96.4	Very high	90 Å²	90	64.3 Å²	64.3	48%	0.481	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-59.7	-34.8	-176	-63	-87.9	0	0	0	113.1	K319 L388 M389	K319-D386 IonicContact NZ-OD1 3.52Å; K319-D386 PolarHBondContact NZ-OD1 3.08Å; D386-L388 VanDerWaalsContact C-N 3.29Å; D386-M389 WeakPolarHBondContact O-CB 3.41Å; D386-M389 WeakPolarHBondContact O-CG 3.25Å; D386-M389 PolarHBondContact O-N 2.89Å
387	D	96.8	Very high	96.3	Very high	107 Å²	107	68.1 Å²	68.1	57%	0.572	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-75.4	-16.8	176.4	63.5	-55.6	0	0	0	113.3	R378 I385	R378-D387 IonicContact CZ-OD1 3.04Å; R378-D387 IonicContact CZ-OD2 2.68Å; R378-D387 IonicContact NH1-OD1 3.49Å; R378-D387 PolarHBondContact NH1-OD1 3.24Å; R378-D387 IonicContact NH1-OD2 3.51Å; R378-D387 PolarHBondContact NH1-OD2 3.37Å; R378-D387 IonicContact NH2-OD2 3.2Å; R378-D387 PolarHBondContact NH2-OD2 2.81Å; I385-D387 PolarHBondContact O-N 3.29Å
388	L	97.2	Very high	96.1	Very high	25 Å²	25	68.3 Å²	68.3	13%	0.131	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-91.1	-0.9	176.5	-64.8	-177.6	0	0	0	113.1	L371 E374 M375 R378 I385 D386 P390	L371-L388 HydrophobicContact CD1-CB 4.34Å; E374-L388 HydrophobicContact CG-CD1 3.97Å; E374-L388 WeakPolarHBondContact OE1-CD2 3.44Å; M375-L388 HydrophobicContact CE-CB 3.74Å; M375-L388 WeakPolarHBondContact CE-O 3.48Å; M375-L388 HydrophobicContact CG-CB 4.14Å; M375-L388 HydrophobicContact CG-CD1 4.01Å; R378-L388 HydrophobicContact CG-CD1 4.2Å; I385-L388 WeakPolarHBondContact O-CB 3.48Å; I385-L388 PolarHBondContact O-N 3.11Å; D386-L388 VanDerWaalsContact C-N 3.29Å; L388-P390 VanDerWaalsContact O-CD 3.32Å; L388-P390 WeakPolarHBondContact O-CD 3.35Å; L388-P390 VanDerWaalsContact O-N 3.12Å
389	M	97.1	Very high	96	Very high	40 Å²	40	69.1 Å²	69.1	20%	0.197	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-59.5	116.9	-179.2	-74.1	-62.1	-55.5	0	0	110.8	K319 E322 V323 D386	K319-M389 HydrophobicContact CB-SD 4.19Å; K319-M389 HydrophobicContact CD-SD 3.86Å; E322-M389 HydrophobicContact CG-CE 4.06Å; V323-M389 HydrophobicContact CG2-CE 3.75Å; V323-M389 HydrophobicContact CG2-SD 3.57Å; V323-M389 VanDerWaalsContact CG2-SD 3.57Å; D386-M389 WeakPolarHBondContact O-CB 3.41Å; D386-M389 WeakPolarHBondContact O-CG 3.25Å; D386-M389 PolarHBondContact O-N 2.89Å
390	P	96.1	Very high	95.8	Very high	19 Å²	19	71.9 Å²	71.9	12%	0.123	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-68.4	157	-176.3	26.5	-32.5	0	0	0	111	V323 R326 L327 L371 L388	V323-P390 HydrophobicContact CG1-CG 4.4Å; R326-P390 HydrophobicContact CB-CG 3.93Å; R326-P390 WeakPolarHBondContact CD-O 3.34Å; R326-P390 PolarHBondContact NH1-O 2.72Å; L327-P390 HydrophobicContact CD1-CG 4.49Å; L327-P390 HydrophobicContact CD2-CB 3.8Å; L327-P390 HydrophobicContact CD2-CG 3.82Å; L327-P390 HydrophobicContact CG-CB 4.39Å; L327-P390 HydrophobicContact CG-CG 3.85Å; L371-P390 HydrophobicContact CD2-CB 3.87Å; L371-P390 HydrophobicContact CD2-CG 3.95Å; L388-P390 VanDerWaalsContact O-CD 3.32Å; L388-P390 WeakPolarHBondContact O-CD 3.35Å; L388-P390 VanDerWaalsContact O-N 3.12Å
391	A	95.3	Very high	95.7	Very high	81 Å²	81	70.6 Å²	70.6	67%	0.669	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-68	158.6	163.2	0	0	0	0	0	110.1	K393	A391-K393 PolarHBondContact O-N 3.45Å
392	Q	93.6	Very high	95.5	Very high	104 Å²	104	65.7 Å²	65.7	49%	0.486	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-67.2	119.5	172.3	-179.8	61.2	64.6	0	0	109.1	K325	K325-Q392 PolarHBondContact O-NE2 2.73Å
393	K	83.4	Confident	95.4	Very high	102 Å²	102	65.1 Å²	65.1	44%	0.443	37%	0.365	S	S	.	.			trans	-78.6	0	170.2	-69.7	-173.1	177.9	-169.2	0	112.1	R326 R328 D367 A391	R326-K393 WeakPolarHBondContact O-CB 3.34Å; R326-K393 PolarHBondContact O-N 3.25Å; R328-K393 WeakPolarHBondContact CD-O 3.1Å; R328-K393 HydrophobicContact CG-CB 3.94Å; R328-K393 PolarHBondContact NH1-O 2.86Å; R328-K393 VanDerWaalsContact NH1-O 3.16Å; D367-K393 IonicContact OD2-NZ 3.35Å; A391-K393 PolarHBondContact O-N 3.45Å

Retrieved 393 of 393 residues in 1280.8 ms (Link to these results)

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