A0A096NSK3_PAPAN Loading...

Protein O-glucosyltransferase 1

AlphaFold DB (A0A2K5N205), UniProt , Accession A0A096NSK3, Species PAPAN (Papio anubis, Olive baboon), Gene POGLUT1, Length 392 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	34.4	Very low	232 Å²	232	165.3 Å²	165.3	100%	1.143	83%	0.832	S	S	*	*				0	81.8	0	-70.3	-176.5	-87.6	0	0	105.5
2	E	34.6	Very low	34.2	Very low	167 Å²	167	170.8 Å²	170.8	78%	0.78	84%	0.835	S	S	*	*				40.2	121.7	70.6	-70.5	179.6	165.9	0	0	109.1
3	W	28.6	Very low	34.4	Very low	244 Å²	244	168.2 Å²	168.2	92%	0.924	83%	0.826	S	S	*	*				-156.1	151.7	76.3	-91.1	67.5	0	0	0	113
4	W	31.6	Very low	34.5	Very low	232 Å²	232	165.4 Å²	165.4	88%	0.879	82%	0.816	S	S	*	*			trans	-62	140.8	175.4	-82.3	39.9	0	0	0	113.7
5	A	35.6	Very low	34.7	Very low	86 Å²	86	163.1 Å²	163.1	71%	0.711	81%	0.807	S	S	*	*				79.9	126.5	100.5	0	0	0	0	0	116
6	S	31.8	Very low	34.9	Very low	125 Å²	125	164.1 Å²	164.1	87%	0.874	81%	0.805	S	S	*	*			trans	-154.8	110.2	152.6	28.2	0	0	0	0	109.5
7	S	36.3	Very low	35.2	Very low	103 Å²	103	163.4 Å²	163.4	72%	0.72	81%	0.805	S	S	*	*			trans	-102.3	154.5	148.1	-166.4	0	0	0	0	106.3
8	P	42.9	Very low	35.3	Very low	122 Å²	122	162.8 Å²	162.8	79%	0.792	81%	0.805	S	S	*	*				-139.2	148.6	115.5	30.4	-14.1	0	0	0	114.7
9	L	33.5	Very low	35.6	Very low	147 Å²	147	159.8 Å²	159.8	77%	0.77	80%	0.798	S	S	*	*			trans	-47.5	150.6	169.3	-75.9	75.6	0	0	0	114.3
10	R	33.3	Very low	35.7	Very low	226 Å²	226	157.9 Å²	157.9	85%	0.853	80%	0.798	S	S	*	*				-177.6	131.3	101.4	-96.4	176.6	-177.6	-158.4	0.5	112.4
11	L	33	Very low	35.8	Very low	134 Å²	134	155.2 Å²	155.2	70%	0.702	80%	0.8	S	S	*	*			trans	44.5	131.5	145.7	-87.1	65.1	0	0	0	116.7
12	W	32.5	Very low	35.8	Very low	231 Å²	231	153.2 Å²	153.2	88%	0.875	79%	0.788	S	S	*	*				-145.1	130.5	72	-93	55.3	0	0	0	111.5
13	L	37	Very low	35.9	Very low	137 Å²	137	148.6 Å²	148.6	72%	0.717	79%	0.785	S	S	*	*			trans	-68.5	127.9	160.3	-86.4	93.9	0	0	0	109	L15	L13-L15 HydrophobicContact CD2-CD1 3.95Å
14	L	35.4	Very low	36.4	Very low	130 Å²	130	149.2 Å²	149.2	68%	0.681	79%	0.787	S	S	*	*			trans	-136.1	93.8	150.5	-100.2	155.4	0	0	0	107.8	F16	L14-F16 PolarHBondContact O-N 2.95Å
15	L	37.5	Very low	36.9	Very low	131 Å²	131	145.8 Å²	145.8	69%	0.686	78%	0.781	S	S	*	*			trans	-58.1	106.9	160.5	-87.7	125	0	0	0	108.6	L13 L17	L13-L15 HydrophobicContact CD2-CD1 3.95Å; L15-L17 PolarHBondContact O-N 3.04Å
16	F	37.2	Very low	37.5	Very low	178 Å²	178	149.7 Å²	149.7	78%	0.781	78%	0.782	S	S	*	*			trans	-88	95.4	152.8	-85.8	-78.3	0	0	0	108	L14 L18	L14-F16 PolarHBondContact O-N 2.95Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 2.85Å
17	L	40.4	Very low	38.1	Very low	153 Å²	153	152.2 Å²	152.2	80%	0.801	78%	0.78	S	S	*	*			trans	-59.4	93.7	157.7	-73.9	161.3	0	0	0	107.7	L15	L15-L17 PolarHBondContact O-N 3.04Å
18	L	37.7	Very low	38.5	Very low	153 Å²	153	151.9 Å²	151.9	80%	0.801	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-70.4	125.6	161.9	-75.4	166.9	0	0	0	107.2	F16	F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 2.85Å
19	P	40.4	Very low	39	Very low	105 Å²	105	148.2 Å²	148.2	68%	0.682	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-60.1	145.1	171.8	25.4	-31.1	0	0	0	108.6	A21	P19-A21 PolarHBondContact O-N 2.91Å
20	P	37.9	Very low	40.9	Very low	121 Å²	121	145.4 Å²	145.4	79%	0.786	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-59.1	120.4	175.4	23.8	-28	0	0	0	107.2	Q22	P20-Q22 PolarHBondContact O-N 3Å
21	A	37.4	Very low	43.8	Very low	102 Å²	102	140.7 Å²	140.7	84%	0.843	74%	0.74	S	S	*	*			trans	-52.9	109.8	172	0	0	0	0	0	107.2	P19 G23	P19-A21 PolarHBondContact O-N 2.91Å; A21-G23 PolarHBondContact O-N 2.99Å
22	Q	36.7	Very low	46.9	Very low	190 Å²	190	135.2 Å²	135.2	89%	0.888	71%	0.71	S	S	*	*			trans	-50.5	126.2	176.4	-80.4	170.1	-27.6	0	0	108.4	P20 R24	P20-Q22 PolarHBondContact O-N 3Å; Q22-R24 PolarHBondContact O-N 2.74Å
23	G	37.4	Very low	50	Low	70 Å²	70	129.4 Å²	129.4	72%	0.722	69%	0.691	S	S	*	*			trans	-53.7	129	-173.9	0	0	0	0	0	112.1	A21 Q25	A21-G23 PolarHBondContact O-N 2.99Å; G23-Q25 PolarHBondContact O-N 3.31Å
24	R	39.8	Very low	52.9	Low	258 Å²	258	128 Å²	128	97%	0.974	69%	0.688	S	S	*	*			trans	-84	77	144.9	-84.9	-177.6	176.9	175.8	-0	107.7	Q22	Q22-R24 PolarHBondContact O-N 2.74Å
25	Q	41.9	Very low	55.9	Low	160 Å²	160	122.9 Å²	122.9	75%	0.748	66%	0.66	S	S	*	*			trans	-104.9	131.2	157.5	-93.6	-158.9	-2	0	0	109.5	G23	G23-Q25 PolarHBondContact O-N 3.31Å
26	K	47.9	Very low	58.8	Low	167 Å²	167	118.9 Å²	118.9	73%	0.726	64%	0.639	S	S	*	*			trans	75	96	153.2	-70.6	173.4	174.4	171.4	0	118.8
27	E	43.2	Very low	61.7	Low	178 Å²	178	112.6 Å²	112.6	83%	0.832	61%	0.614	S	S	*	*	S	Bend	trans	-127.1	-24	134.6	-83.7	-171	154.5	0	0	113.5	S30	E27-S30 PolarHBondContact O-OG 3.36Å
28	S	46.5	Very low	64.5	Low	97 Å²	97	108.3 Å²	108.3	68%	0.678	59%	0.59	S	S	*	*	H	α-helix	trans	-80.5	-23.4	177.7	76.4	0	0	0	0	114.5	S30	S28-S30 VanDerWaalsContact C-N 3.27Å; S28-S30 PolarHBondContact O-N 3.32Å
29	G	53.1	Low	67.4	Low	44 Å²	44	101.2 Å²	101.2	45%	0.454	55%	0.552	S	S	.	*	H	α-helix	trans	-69.9	-17.8	-176.9	0	0	0	0	0	114.8
30	S	73.4	Confident	70.1	Confident	89 Å²	89	99.9 Å²	99.9	62%	0.622	54%	0.539	S	S	*	.	H	α-helix	trans	-87.9	-41.2	177.3	64.8	0	0	0	0	112.4	E27 S28 W32 K33	E27-S30 PolarHBondContact O-OG 3.36Å; S28-S30 VanDerWaalsContact C-N 3.27Å; S28-S30 PolarHBondContact O-N 3.32Å; S30-W32 PolarHBondContact O-N 3.46Å; S30-K33 WeakPolarHBondContact O-CB 3.42Å; S30-K33 PolarHBondContact O-N 3.45Å
31	K	93.9	Very high	73	Confident	126 Å²	126	99.1 Å²	99.1	55%	0.548	52%	0.521	S	S	.	.	H	α-helix	trans	-60.2	-41.7	-171.6	-175.2	177.3	179.1	-177.9	0	113.1
32	W	97.6	Very high	76	Confident	19 Å²	19	95.2 Å²	95.2	7%	0.072	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	6.3	-175.7	-55.1	126.1	0	0	0	113.9	S30 V34 F35 I36 E323 Q326 F327 A330 N331	S30-W32 PolarHBondContact O-N 3.46Å; W32-V34 PolarHBondContact O-N 3.27Å; W32-F35 HydrophobicContact CE3-CD2 4.03Å; W32-F35 HydrophobicContact CE3-CE2 4.22Å; W32-F35 HydrophobicContact CZ3-CE2 4.31Å; W32-F35 PolarHBondContact O-N 3.05Å; W32-F35 VanDerWaalsContact O-N 3.13Å; W32-I36 HydrophobicContact CB-CG1 4.43Å; W32-I36 WeakPolarHBondContact O-CG1 3.38Å; W32-I36 PolarHBondContact O-N 3.37Å; W32-E323 HydrophobicContact CZ3-CG 4.11Å; W32-Q326 HydrophobicContact CH2-CB 3.63Å; W32-Q326 HydrophobicContact CZ2-CB 4.12Å; W32-F327 HydrophobicContact CB-CD2 3.84Å; W32-F327 HydrophobicContact CB-CE2 4.06Å; W32-F327 HydrophobicContact CD2-CB 4.28Å; W32-F327 AromaticContact CD2-CD2 3.92Å; W32-F327 HydrophobicContact CD2-CD2 3.92Å; W32-F327 HydrophobicContact CE3-CB 3.79Å; W32-F327 AromaticContact CE3-CD2 3.94Å; W32-F327 HydrophobicContact CE3-CD2 3.94Å; W32-F327 HydrophobicContact CE3-CG 4.34Å; W32-F327 AromaticContact CG-CD2 3.9Å; W32-F327 HydrophobicContact CG-CD2 3.9Å; W32-F327 HydrophobicContact CH2-CB 4.29Å; W32-F327 HydrophobicContact CZ3-CB 3.8Å; W32-A330 HydrophobicContact CZ2-CB 4.16Å; W32-A330 VanDerWaalsContact NE1-CB 3.3Å; W32-N331 VanDerWaalsContact CD1-ND2 3.3Å
33	K	97.1	Very high	78.9	Confident	109 Å²	109	88.8 Å²	88.8	47%	0.474	46%	0.459	S	S	.	.	H	α-helix	trans	-53.3	-41.8	-174.5	179.5	165.9	174.2	49.9	0	112.6	S30 F35 I36 D37	S30-K33 WeakPolarHBondContact O-CB 3.42Å; S30-K33 PolarHBondContact O-N 3.45Å; K33-F35 PolarHBondContact O-N 3.21Å; K33-I36 PolarHBondContact O-N 2.84Å; K33-D37 VanDerWaalsContact CE-OD2 3.28Å; K33-D37 WeakPolarHBondContact CE-OD2 3.36Å; K33-D37 VanDerWaalsContact CG-OD2 3.27Å; K33-D37 WeakPolarHBondContact CG-OD2 3.33Å; K33-D37 VanDerWaalsContact NZ-CG 3.27Å; K33-D37 IonicContact NZ-OD1 3.01Å; K33-D37 PolarHBondContact NZ-OD1 3Å; K33-D37 IonicContact NZ-OD2 2.7Å; K33-D37 PolarHBondContact NZ-OD2 3.46Å; K33-D37 VanDerWaalsContact O-CB 3.29Å; K33-D37 WeakPolarHBondContact O-CB 3.44Å; K33-D37 PolarHBondContact O-N 3.15Å
34	V	98.1	Very high	81.8	Confident	107 Å²	107	92.8 Å²	92.8	65%	0.648	46%	0.459	S	S	*	.	H	α-helix	trans	-59.4	-46.5	-178.8	177.3	0	0	0	0	111.8	W32 Q38	W32-V34 PolarHBondContact O-N 3.27Å; V34-Q38 VanDerWaalsContact O-CB 3.29Å; V34-Q38 WeakPolarHBondContact O-CB 3.31Å; V34-Q38 PolarHBondContact O-N 3.08Å
35	F	98.4	Very high	84.6	Confident	23 Å²	23	86.9 Å²	86.9	10%	0.101	45%	0.447	C	S	.	.	H	α-helix	trans	-72.3	-40.8	179.2	-63	-54.7	0	0	0	112.2	W32 K33 Q38 I39 W308 E323 L324 F327	W32-F35 HydrophobicContact CE3-CD2 4.03Å; W32-F35 HydrophobicContact CE3-CE2 4.22Å; W32-F35 HydrophobicContact CZ3-CE2 4.31Å; W32-F35 PolarHBondContact O-N 3.05Å; W32-F35 VanDerWaalsContact O-N 3.13Å; K33-F35 PolarHBondContact O-N 3.21Å; F35-Q38 PolarHBondContact O-N 2.76Å; F35-I39 WeakPolarHBondContact O-CD1 3.37Å; F35-I39 VanDerWaalsContact O-CG1 3.29Å; F35-I39 WeakPolarHBondContact O-CG1 3.37Å; F35-I39 PolarHBondContact O-N 3.27Å; F35-W308 AromaticContact CD1-CH2 3.54Å; F35-W308 HydrophobicContact CD1-CH2 3.54Å; F35-W308 HydrophobicContact CD1-CZ2 4.1Å; F35-W308 HydrophobicContact CD1-CZ3 4.26Å; F35-W308 HydrophobicContact CE1-CH2 4.01Å; F35-W308 HydrophobicContact CE1-CZ2 4.47Å; F35-W308 HydrophobicContact CG-CH2 4.41Å; F35-E323 HydrophobicContact CE2-CG 3.86Å; F35-E323 HydrophobicContact CZ-CG 4.09Å; F35-L324 HydrophobicContact CD1-CD2 4.16Å; F35-L324 HydrophobicContact CE1-CD2 3.6Å; F35-L324 HydrophobicContact CE2-CD2 4.5Å; F35-L324 HydrophobicContact CZ-CD2 3.8Å; F35-F327 HydrophobicContact CB-CD1 4.21Å; F35-F327 HydrophobicContact CB-CD2 3.86Å; F35-F327 HydrophobicContact CB-CE1 4.01Å; F35-F327 HydrophobicContact CB-CE2 3.64Å; F35-F327 HydrophobicContact CB-CG 4.15Å; F35-F327 HydrophobicContact CB-CZ 3.73Å; F35-F327 HydrophobicContact CD2-CB 3.93Å; F35-F327 HydrophobicContact CD2-CD1 4.3Å; F35-F327 AromaticContact CD2-CD2 3.8Å; F35-F327 HydrophobicContact CD2-CD2 3.8Å; F35-F327 HydrophobicContact CD2-CE2 4.45Å; F35-F327 AromaticContact CD2-CG 3.72Å; F35-F327 HydrophobicContact CD2-CG 3.72Å; F35-F327 HydrophobicContact CE2-CB 4.24Å; F35-F327 HydrophobicContact CE2-CG 4.48Å; F35-F327 HydrophobicContact CG-CD1 4.32Å; F35-F327 HydrophobicContact CG-CD2 4.21Å; F35-F327 HydrophobicContact CG-CE2 4.47Å; F35-F327 HydrophobicContact CG-CG 4.15Å
36	I	98.4	Very high	87.3	Confident	47 Å²	47	81.3 Å²	81.3	24%	0.241	42%	0.419	C	S	.	.	H	α-helix	trans	-62.5	-47.5	177.3	-63.7	-63.4	0	0	0	110.9	W32 K33 Q38 I39 N40 F327 V334	W32-I36 HydrophobicContact CB-CG1 4.43Å; W32-I36 WeakPolarHBondContact O-CG1 3.38Å; W32-I36 PolarHBondContact O-N 3.37Å; K33-I36 PolarHBondContact O-N 2.84Å; I36-Q38 VanDerWaalsContact C-N 3.26Å; I36-Q38 PolarHBondContact O-N 3.27Å; I36-I39 PolarHBondContact O-N 2.79Å; I36-N40 PolarHBondContact O-N 3.22Å; I36-F327 HydrophobicContact CD1-CE2 3.78Å; I36-F327 HydrophobicContact CD1-CZ 3.97Å; I36-F327 HydrophobicContact CG1-CE2 4.13Å; I36-V334 HydrophobicContact CD1-CG2 4.28Å
37	D	98.3	Very high	89.7	Confident	47 Å²	47	81.4 Å²	81.4	25%	0.251	42%	0.422	S	S	.	.	H	α-helix	trans	-63.2	-35.3	176.7	-66.5	-12.6	0	0	0	111.2	K33 R41	K33-D37 VanDerWaalsContact CE-OD2 3.28Å; K33-D37 WeakPolarHBondContact CE-OD2 3.36Å; K33-D37 VanDerWaalsContact CG-OD2 3.27Å; K33-D37 WeakPolarHBondContact CG-OD2 3.33Å; K33-D37 VanDerWaalsContact NZ-CG 3.27Å; K33-D37 IonicContact NZ-OD1 3.01Å; K33-D37 PolarHBondContact NZ-OD1 3Å; K33-D37 IonicContact NZ-OD2 2.7Å; K33-D37 PolarHBondContact NZ-OD2 3.46Å; K33-D37 VanDerWaalsContact O-CB 3.29Å; K33-D37 WeakPolarHBondContact O-CB 3.44Å; K33-D37 PolarHBondContact O-N 3.15Å; D37-R41 WeakPolarHBondContact O-CG 3.5Å; D37-R41 PolarHBondContact O-N 3.37Å
38	Q	98.6	Very high	92.2	Very high	62 Å²	62	77.4 Å²	77.4	29%	0.29	41%	0.411	S	S	.	.	H	α-helix	trans	-66.6	-41.3	175.3	-177.2	57.9	51	0	0	112.3	V34 F35 I36 R41 S42 W308	V34-Q38 VanDerWaalsContact O-CB 3.29Å; V34-Q38 WeakPolarHBondContact O-CB 3.31Å; V34-Q38 PolarHBondContact O-N 3.08Å; F35-Q38 PolarHBondContact O-N 2.76Å; I36-Q38 VanDerWaalsContact C-N 3.26Å; I36-Q38 PolarHBondContact O-N 3.27Å; Q38-R41 PolarHBondContact O-N 3.19Å; Q38-S42 PolarHBondContact NE2-OG 3.01Å; Q38-S42 WeakPolarHBondContact O-CB 3.34Å; Q38-S42 PolarHBondContact O-N 3.47Å; Q38-S42 PolarHBondContact O-OG 3.23Å; Q38-W308 HydrophobicContact CG-CD2 4.28Å; Q38-W308 HydrophobicContact CG-CG 4.1Å
39	I	98.8	Very high	94.6	Very high	4 Å²	4	73.9 Å²	73.9	2%	0.021	39%	0.386	C	S	.	.	H	α-helix	trans	-62.5	-46.3	175.3	-69.4	159.2	0	0	0	110.1	F35 I36 R41 S42 L43 W308 F327 V334 I338	F35-I39 WeakPolarHBondContact O-CD1 3.37Å; F35-I39 VanDerWaalsContact O-CG1 3.29Å; F35-I39 WeakPolarHBondContact O-CG1 3.37Å; F35-I39 PolarHBondContact O-N 3.27Å; I36-I39 PolarHBondContact O-N 2.79Å; I39-R41 PolarHBondContact O-N 2.97Å; I39-S42 PolarHBondContact O-N 3.4Å; I39-L43 HydrophobicContact CG2-CD1 3.83Å; I39-L43 HydrophobicContact CG2-CG 4.36Å; I39-L43 WeakPolarHBondContact O-CG 3.43Å; I39-L43 PolarHBondContact O-N 2.91Å; I39-W308 HydrophobicContact CD1-CE3 4.21Å; I39-W308 HydrophobicContact CG1-CB 4Å; I39-W308 HydrophobicContact CG1-CD2 4.27Å; I39-W308 HydrophobicContact CG1-CE3 3.77Å; I39-W308 HydrophobicContact CG1-CG 4.4Å; I39-F327 HydrophobicContact CD1-CE1 3.93Å; I39-F327 HydrophobicContact CD1-CZ 3.58Å; I39-V334 HydrophobicContact CD1-CG1 3.71Å; I39-I338 HydrophobicContact CD1-CD1 4.04Å; I39-I338 HydrophobicContact CG1-CD1 4.37Å
40	N	98.5	Very high	96.5	Very high	77 Å²	77	77.1 Å²	77.1	41%	0.412	40%	0.402	S	S	.	.	H	α-helix	trans	-59	-49.6	177.6	-69.2	-17.4	0	0	0	111.5	I36 S42 L43 E44	I36-N40 PolarHBondContact O-N 3.22Å; N40-S42 VanDerWaalsContact C-N 3.29Å; N40-S42 PolarHBondContact O-N 2.9Å; N40-L43 PolarHBondContact O-N 3.26Å; N40-L43 VanDerWaalsContact O-N 3.14Å; N40-E44 WeakPolarHBondContact O-CG 3.23Å; N40-E44 PolarHBondContact O-N 3.5Å
41	R	98.8	Very high	97.5	Very high	105 Å²	105	74 Å²	74	40%	0.396	38%	0.381	S	S	.	.	H	α-helix	trans	-58.1	-41.3	175.2	-74.8	-170.5	-60.6	-88.5	1.3	112.5	D37 Q38 I39 L43 N45	D37-R41 WeakPolarHBondContact O-CG 3.5Å; D37-R41 PolarHBondContact O-N 3.37Å; Q38-R41 PolarHBondContact O-N 3.19Å; I39-R41 PolarHBondContact O-N 2.97Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-N45 WeakPolarHBondContact O-CB 3.4Å; R41-N45 VanDerWaalsContact O-CG 3.28Å; R41-N45 PolarHBondContact O-N 3.29Å; R41-N45 VanDerWaalsContact O-N 3.09Å; R41-N45 PolarHBondContact O-ND2 3.34Å; R41-N45 VanDerWaalsContact O-ND2 3.07Å
42	S	98.7	Very high	97.4	Very high	20 Å²	20	76.5 Å²	76.5	14%	0.14	39%	0.394	C	S	.	.	H	α-helix	trans	-67	-34.9	178.7	-75.1	0	0	0	0	112.3	Q38 I39 N40 Y46	Q38-S42 PolarHBondContact NE2-OG 3.01Å; Q38-S42 WeakPolarHBondContact O-CB 3.34Å; Q38-S42 PolarHBondContact O-N 3.47Å; Q38-S42 PolarHBondContact O-OG 3.23Å; I39-S42 PolarHBondContact O-N 3.4Å; N40-S42 VanDerWaalsContact C-N 3.29Å; N40-S42 PolarHBondContact O-N 2.9Å; S42-Y46 WeakPolarHBondContact O-CB 3.29Å; S42-Y46 PolarHBondContact O-N 3.48Å
43	L	98.6	Very high	97.3	Very high	55 Å²	55	79.4 Å²	79.4	29%	0.288	41%	0.411	S	S	.	.	H	α-helix	trans	-74.6	-39.2	175.2	-70.3	170.7	0	0	0	112.3	I39 N40 R41 N45 Y46 V309	I39-L43 HydrophobicContact CG2-CD1 3.83Å; I39-L43 HydrophobicContact CG2-CG 4.36Å; I39-L43 WeakPolarHBondContact O-CG 3.43Å; I39-L43 PolarHBondContact O-N 2.91Å; N40-L43 PolarHBondContact O-N 3.26Å; N40-L43 VanDerWaalsContact O-N 3.14Å; R41-L43 VanDerWaalsContact C-N 3.33Å; L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 2.86Å; L43-Y46 WeakPolarHBondContact O-CB 3.34Å; L43-Y46 PolarHBondContact O-N 3.06Å; L43-Y46 VanDerWaalsContact O-N 3.16Å; L43-V309 HydrophobicContact CD2-CG1 4.21Å; L43-V309 HydrophobicContact CD2-CG2 4.32Å
44	E	98.5	Very high	97.4	Very high	155 Å²	155	74.3 Å²	74.3	72%	0.724	39%	0.389	S	S	*	.	H	α-helix	trans	-61.5	-37.2	174.9	-75.3	171.9	177.6	0	0	112.1	N40 Y46	N40-E44 WeakPolarHBondContact O-CG 3.23Å; N40-E44 PolarHBondContact O-N 3.5Å; E44-Y46 VanDerWaalsContact C-N 3.34Å
45	N	98.3	Very high	97.3	Very high	133 Å²	133	72 Å²	72	71%	0.711	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.5	177.5	-66	-32.6	0	0	0	113.5	R41 L43 E47	R41-N45 WeakPolarHBondContact O-CB 3.4Å; R41-N45 VanDerWaalsContact O-CG 3.28Å; R41-N45 PolarHBondContact O-N 3.29Å; R41-N45 VanDerWaalsContact O-N 3.09Å; R41-N45 PolarHBondContact O-ND2 3.34Å; R41-N45 VanDerWaalsContact O-ND2 3.07Å; L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 2.86Å; N45-E47 PolarHBondContact O-N 3.3Å
46	Y	98.4	Very high	97.3	Very high	43 Å²	43	71.3 Å²	71.3	17%	0.169	38%	0.376	C	S	.	.			trans	-82.9	119.5	-177	179.5	-122.6	0	0	0	110.4	S42 L43 E44 P48 K306 V309 H310	S42-Y46 WeakPolarHBondContact O-CB 3.29Å; S42-Y46 PolarHBondContact O-N 3.48Å; L43-Y46 WeakPolarHBondContact O-CB 3.34Å; L43-Y46 PolarHBondContact O-N 3.06Å; L43-Y46 VanDerWaalsContact O-N 3.16Å; E44-Y46 VanDerWaalsContact C-N 3.34Å; Y46-P48 HydrophobicContact CD1-CG 3.98Å; Y46-P48 HydrophobicContact CE1-CB 3.88Å; Y46-P48 HydrophobicContact CE1-CG 3.78Å; Y46-P48 WeakPolarHBondContact O-CD 3.39Å; Y46-K306 HydrophobicContact CD2-CB 4.43Å; Y46-K306 HydrophobicContact CD2-CG 3.8Å; Y46-K306 HydrophobicContact CE2-CG 3.95Å; Y46-V309 HydrophobicContact CD1-CG1 3.7Å; Y46-V309 HydrophobicContact CD2-CG1 4.08Å; Y46-V309 HydrophobicContact CD2-CG2 4.24Å; Y46-V309 HydrophobicContact CE1-CG1 3.87Å; Y46-V309 HydrophobicContact CE2-CG1 4.25Å; Y46-V309 HydrophobicContact CG-CG1 3.81Å; Y46-V309 HydrophobicContact CG-CG2 4.03Å; Y46-H310 AromaticContact CE2-CE1 3.53Å; Y46-H310 AromaticContact CZ-CE1 3.56Å; Y46-H310 AromaticContact CZ-NE2 3.65Å; Y46-H310 PolarHBondContact OH-CE1 3.39Å; Y46-H310 PolarHBondContact OH-NE2 2.94Å
47	E	97.9	Very high	97.3	Very high	170 Å²	170	69.1 Å²	69.1	79%	0.794	36%	0.364	S	S	*	.			trans	-96.5	107.9	168.7	-64.5	-178.5	166.6	0	0	108.7	N45	N45-E47 PolarHBondContact O-N 3.3Å
48	P	96.9	Very high	97.3	Very high	93 Å²	93	70.8 Å²	70.8	60%	0.604	37%	0.371	S	S	*	.			trans	-66.2	139.9	178.8	-17.6	31.2	0	0	0	111.1	Y46 S50	Y46-P48 HydrophobicContact CD1-CG 3.98Å; Y46-P48 HydrophobicContact CE1-CB 3.88Å; Y46-P48 HydrophobicContact CE1-CG 3.78Å; Y46-P48 WeakPolarHBondContact O-CD 3.39Å; P48-S50 PolarHBondContact O-N 3.41Å
49	C	95.7	Very high	97.3	Very high	23 Å²	23	70.1 Å²	70.1	16%	0.155	38%	0.381	C	S	.	.			trans	-75.8	115.6	167	-169	0	0	0	0	109.5	C56 H349	C49-C56 HydrophobicContact CB-CB 3.77Å; C49-C56 WeakPolarHBondContact CB-SG 3.17Å; C49-C56 WeakPolarHBondContact SG-CA 3.3Å; C49-C56 WeakPolarHBondContact SG-CB 3.49Å; C49-C56 CovalentContact SG-SG 2.02Å; C49-C56 PolarHBondContact SG-SG 2.81Å; C49-H349 PolarHBondContact O-CE1 3.21Å; C49-H349 VanDerWaalsContact O-CE1 3.24Å; C49-H349 PolarHBondContact O-NE2 3.47Å
50	S	93.8	Very high	97.3	Very high	113 Å²	113	70.4 Å²	70.4	79%	0.79	38%	0.382	S	S	*	.			trans	-92.1	0.1	175.2	56.6	0	0	0	0	113.4	P48	P48-S50 PolarHBondContact O-N 3.41Å
51	S	93.8	Very high	97.3	Very high	24 Å²	24	66.9 Å²	66.9	17%	0.168	36%	0.364	C	S	.	.			trans	-68.5	144.8	-176.8	-166.5	0	0	0	0	112.3	N53 S55 H349	S51-N53 VanDerWaalsContact C-N 3.35Å; S51-N53 PolarHBondContact OG-N 2.96Å; S51-N53 VanDerWaalsContact OG-N 3.15Å; S51-N53 PolarHBondContact OG-O 3.18Å; S51-N53 PolarHBondContact OG-OD1 3.32Å; S51-S55 WeakPolarHBondContact CB-OG 3.5Å; S51-S55 PolarHBondContact OG-OG 2.92Å; S51-H349 PolarHBondContact O-CE1 2.92Å; S51-H349 VanDerWaalsContact O-CE1 3.29Å; S51-H349 PolarHBondContact O-ND1 3.47Å
52	Q	93.1	Very high	97.3	Very high	177 Å²	177	66.6 Å²	66.6	83%	0.827	37%	0.367	S	S	*	.	S	Bend	trans	-93.5	3.3	170.9	-59.5	-61.6	-44.8	0	0	112.2
53	N	95.3	Very high	97.3	Very high	81 Å²	81	71.4 Å²	71.4	43%	0.433	39%	0.387	S	S	.	.	S	Bend	trans	-130.4	-176.6	176.4	69	32.4	0	0	0	110.6	S51 S55	S51-N53 VanDerWaalsContact C-N 3.35Å; S51-N53 PolarHBondContact OG-N 2.96Å; S51-N53 VanDerWaalsContact OG-N 3.15Å; S51-N53 PolarHBondContact OG-O 3.18Å; S51-N53 PolarHBondContact OG-OD1 3.32Å; N53-S55 PolarHBondContact O-N 2.96Å; N53-S55 WeakPolarHBondContact OD1-CB 3.48Å; N53-S55 PolarHBondContact OD1-N 3.45Å; N53-S55 PolarHBondContact OD1-OG 3.26Å
54	C	97.8	Very high	97.4	Very high	2 Å²	2	69.1 Å²	69.1	1%	0.014	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-72.9	8.5	-176.3	70.4	0	0	0	0	116	C56 Y57 D354 C357 Y358 N361	C54-C56 PolarHBondContact O-N 2.75Å; C54-C56 VanDerWaalsContact O-N 3.1Å; C54-Y57 HydrophobicContact CB-CD2 4.21Å; C54-Y57 WeakPolarHBondContact O-CD2 3.22Å; C54-Y57 PolarHBondContact O-N 3.12Å; C54-D354 HydrophobicContact CB-CB 4.45Å; C54-C357 HydrophobicContact CB-CB 3.6Å; C54-C357 WeakPolarHBondContact CB-SG 3.49Å; C54-C357 PolarHBondContact N-SG 3.36Å; C54-C357 VanDerWaalsContact N-SG 3.35Å; C54-C357 WeakPolarHBondContact SG-CB 3.34Å; C54-C357 PolarHBondContact SG-O 3.18Å; C54-C357 VanDerWaalsContact SG-O 3.39Å; C54-C357 CovalentContact SG-SG 2.04Å; C54-C357 PolarHBondContact SG-SG 2.64Å; C54-Y358 PolarHBondContact SG-N 3.22Å; C54-N361 PolarHBondContact SG-ND2 3.07Å
55	S	97.9	Very high	97.4	Very high	57 Å²	57	62 Å²	62	40%	0.399	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-61.4	-19.6	179.9	68.4	0	0	0	0	113.5	S51 N53 Y57 H58	S51-S55 WeakPolarHBondContact CB-OG 3.5Å; S51-S55 PolarHBondContact OG-OG 2.92Å; N53-S55 PolarHBondContact O-N 2.96Å; N53-S55 WeakPolarHBondContact OD1-CB 3.48Å; N53-S55 PolarHBondContact OD1-N 3.45Å; N53-S55 PolarHBondContact OD1-OG 3.26Å; S55-Y57 PolarHBondContact O-N 2.85Å; S55-H58 WeakPolarHBondContact O-CB 3.25Å; S55-H58 PolarHBondContact O-N 2.79Å; S55-H58 VanDerWaalsContact O-N 3.08Å
56	C	97.5	Very high	97.4	Very high	10 Å²	10	58.2 Å²	58.2	7%	0.068	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-49.3	-27.9	168.7	-51.7	0	0	0	0	112.7	C49 C54 Q304	C49-C56 HydrophobicContact CB-CB 3.77Å; C49-C56 WeakPolarHBondContact CB-SG 3.17Å; C49-C56 WeakPolarHBondContact SG-CA 3.3Å; C49-C56 WeakPolarHBondContact SG-CB 3.49Å; C49-C56 CovalentContact SG-SG 2.02Å; C49-C56 PolarHBondContact SG-SG 2.81Å; C54-C56 PolarHBondContact O-N 2.75Å; C54-C56 VanDerWaalsContact O-N 3.1Å; C56-Q304 VanDerWaalsContact O-CG 3.23Å; C56-Q304 WeakPolarHBondContact O-CG 3.4Å; C56-Q304 PolarHBondContact O-NE2 3.05Å
57	Y	98.7	Very high	97.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-105.8	3.9	-173.2	-51.5	-67.3	0	0	0	113.7	C54 S55 G59 V60 F300 F301 Q304 F345 H349 Y358	C54-Y57 HydrophobicContact CB-CD2 4.21Å; C54-Y57 WeakPolarHBondContact O-CD2 3.22Å; C54-Y57 PolarHBondContact O-N 3.12Å; S55-Y57 PolarHBondContact O-N 2.85Å; Y57-G59 VanDerWaalsContact C-N 3.28Å; Y57-G59 PolarHBondContact O-N 2.81Å; Y57-V60 WeakPolarHBondContact O-CB 3.39Å; Y57-V60 PolarHBondContact O-N 3.11Å; Y57-F300 HydrophobicContact CD1-CD2 4.46Å; Y57-F300 HydrophobicContact CD1-CE2 4.33Å; Y57-F300 AromaticContact CD2-CE2 3.99Å; Y57-F300 HydrophobicContact CD2-CE2 3.99Å; Y57-F300 HydrophobicContact CE2-CE2 4.32Å; Y57-F300 HydrophobicContact CG-CD2 4.26Å; Y57-F300 AromaticContact CG-CE2 3.99Å; Y57-F300 HydrophobicContact CG-CE2 3.99Å; Y57-F301 HydrophobicContact CD1-CB 4.26Å; Y57-F301 HydrophobicContact CE1-CB 3.65Å; Y57-Q304 HydrophobicContact CD1-CB 4.27Å; Y57-Q304 HydrophobicContact CD1-CG 3.65Å; Y57-Q304 HydrophobicContact CE1-CB 3.87Å; Y57-Q304 HydrophobicContact CE1-CG 3.73Å; Y57-F345 HydrophobicContact CE1-CZ 4.21Å; Y57-H349 WeakPolarHBondContact CE2-O 3.5Å; Y57-H349 VanDerWaalsContact CZ-O 3.23Å; Y57-H349 PolarHBondContact OH-O 3.41Å; Y57-Y358 VanDerWaalsContact CB-CE2 3.49Å; Y57-Y358 HydrophobicContact CD2-CD2 4.48Å; Y57-Y358 HydrophobicContact CG-CD2 4.33Å
58	H	98.4	Very high	97.5	Very high	83 Å²	83	50.9 Å²	50.9	38%	0.384	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-36.9	-175.7	-171.5	-91.9	0	0	0	112.9	S55 V60 I61 E62	S55-H58 WeakPolarHBondContact O-CB 3.25Å; S55-H58 PolarHBondContact O-N 2.79Å; S55-H58 VanDerWaalsContact O-N 3.08Å; H58-V60 PolarHBondContact O-N 3.33Å; H58-V60 VanDerWaalsContact O-N 3.15Å; H58-I61 WeakPolarHBondContact O-CB 3.14Å; H58-I61 PolarHBondContact O-N 3.24Å; H58-E62 PolarHBondContact O-N 3.2Å
59	G	98.6	Very high	97.5	Very high	48 Å²	48	53 Å²	53	50%	0.495	29%	0.291	S	S	.	.	H	α-helix	trans	-59.5	-25.9	175.9	0	0	0	0	0	113.7	Y57 E63	Y57-G59 VanDerWaalsContact C-N 3.28Å; Y57-G59 PolarHBondContact O-N 2.81Å; G59-E63 WeakPolarHBondContact O-CB 3.46Å; G59-E63 PolarHBondContact O-N 3.22Å
60	V	98.8	Very high	97.6	Very high	9 Å²	9	56 Å²	56	6%	0.055	33%	0.327	C	S	.	.	H	α-helix	trans	-73.8	-41.3	175	-175.6	0	0	0	0	111	Y57 H58 E62 D64 M160 F300 P303	Y57-V60 WeakPolarHBondContact O-CB 3.39Å; Y57-V60 PolarHBondContact O-N 3.11Å; H58-V60 PolarHBondContact O-N 3.33Å; H58-V60 VanDerWaalsContact O-N 3.15Å; V60-E62 VanDerWaalsContact C-N 3.32Å; V60-D64 VanDerWaalsContact O-CB 3.29Å; V60-D64 WeakPolarHBondContact O-CB 3.3Å; V60-D64 VanDerWaalsContact O-CG 3.29Å; V60-D64 PolarHBondContact O-N 2.91Å; V60-M160 HydrophobicContact CG1-CE 3.52Å; V60-F300 WeakPolarHBondContact CG2-O 3.27Å; V60-P303 HydrophobicContact CG2-CB 4.01Å; V60-P303 HydrophobicContact CG2-CG 3.81Å
61	I	98.9	Very high	97.8	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-45.3	174.1	-61.5	173.1	0	0	0	109.6	H58 D64 L65 Y358 N361 L362 E365	H58-I61 WeakPolarHBondContact O-CB 3.14Å; H58-I61 PolarHBondContact O-N 3.24Å; I61-D64 PolarHBondContact O-N 3Å; I61-L65 HydrophobicContact CG2-CD1 3.62Å; I61-L65 HydrophobicContact CG2-CG 4.23Å; I61-L65 WeakPolarHBondContact O-CB 3.37Å; I61-L65 VanDerWaalsContact O-CG 3.27Å; I61-L65 WeakPolarHBondContact O-CG 3.47Å; I61-L65 PolarHBondContact O-N 2.86Å; I61-Y358 HydrophobicContact CD1-CD2 4.03Å; I61-Y358 HydrophobicContact CD1-CE2 3.72Å; I61-Y358 HydrophobicContact CG1-CD2 4.32Å; I61-Y358 HydrophobicContact CG1-CE1 4.3Å; I61-Y358 HydrophobicContact CG1-CE2 3.5Å; I61-Y358 WeakPolarHBondContact CG1-OH 3.36Å; I61-N361 HydrophobicContact CD1-CB 3.93Å; I61-L362 HydrophobicContact CD1-CB 4.18Å; I61-L362 HydrophobicContact CG1-CB 4.39Å; I61-L362 HydrophobicContact CG1-CD1 4.22Å; I61-L362 HydrophobicContact CG2-CD1 4.05Å; I61-E365 HydrophobicContact CG2-CB 4.13Å; I61-E365 HydrophobicContact CG2-CG 4.35Å
62	E	98.8	Very high	98.1	Very high	99 Å²	99	50.8 Å²	50.8	46%	0.463	29%	0.294	S	S	.	.	H	α-helix	trans	-61	-48.5	-179.6	-174.6	178.1	176.5	0	0	112.3	H58 V60 L65 T66 R69	H58-E62 PolarHBondContact O-N 3.2Å; V60-E62 VanDerWaalsContact C-N 3.32Å; E62-L65 PolarHBondContact O-N 3.38Å; E62-T66 PolarHBondContact O-N 2.03Å; E62-T66 VanDerWaalsContact O-N 3.1Å; E62-T66 PolarHBondContact O-OG1 2.74Å; E62-R69 IonicContact OE1-NH2 2.65Å; E62-R69 PolarHBondContact OE1-NH2 2.98Å
63	E	98.8	Very high	98.4	Very high	121 Å²	121	44.6 Å²	44.6	57%	0.565	27%	0.27	S	S	*	.	H	α-helix	trans	-60.3	-48.5	177.3	-178.4	63.9	-156.9	0	0	110.8	G59 L65 T66	G59-E63 WeakPolarHBondContact O-CB 3.46Å; G59-E63 PolarHBondContact O-N 3.22Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 2.88Å; E63-T66 WeakPolarHBondContact O-CB 3.36Å; E63-T66 PolarHBondContact O-N 2.89Å
64	D	98.9	Very high	98.5	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-67.3	-29.9	-175.7	-76.7	3.4	0	0	0	113.4	V60 I61 K152 I159 M160	V60-D64 VanDerWaalsContact O-CB 3.29Å; V60-D64 WeakPolarHBondContact O-CB 3.3Å; V60-D64 VanDerWaalsContact O-CG 3.29Å; V60-D64 PolarHBondContact O-N 2.91Å; I61-D64 PolarHBondContact O-N 3Å; D64-K152 VanDerWaalsContact CG-NZ 3.26Å; D64-K152 WeakPolarHBondContact OD1-CE 3.5Å; D64-K152 IonicContact OD1-NZ 3.18Å; D64-K152 PolarHBondContact OD1-NZ 3.2Å; D64-K152 IonicContact OD2-NZ 3.96Å; D64-I159 HydrophobicContact CB-CG2 4.15Å; D64-M160 WeakPolarHBondContact OD2-CB 3.44Å; D64-M160 PolarHBondContact OD2-N 3.06Å
65	L	98.9	Very high	98.6	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-90	-10	178.2	-62.5	-177.6	0	0	0	113.5	I61 E62 E63 P67 F68 I159 E365 Y366 F369	I61-L65 HydrophobicContact CG2-CD1 3.62Å; I61-L65 HydrophobicContact CG2-CG 4.23Å; I61-L65 WeakPolarHBondContact O-CB 3.37Å; I61-L65 VanDerWaalsContact O-CG 3.27Å; I61-L65 WeakPolarHBondContact O-CG 3.47Å; I61-L65 PolarHBondContact O-N 2.86Å; E62-L65 PolarHBondContact O-N 3.38Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 2.88Å; L65-P67 VanDerWaalsContact C-CD 3.49Å; L65-F68 PolarHBondContact O-N 2.99Å; L65-I159 HydrophobicContact CD2-CD1 3.7Å; L65-I159 HydrophobicContact CD2-CG1 4.11Å; L65-I159 HydrophobicContact CD2-CG2 4.13Å; L65-E365 HydrophobicContact CD1-CB 3.74Å; L65-Y366 HydrophobicContact CD2-CD2 3.93Å; L65-F369 HydrophobicContact CB-CD2 4.43Å; L65-F369 HydrophobicContact CB-CE2 3.87Å; L65-F369 HydrophobicContact CD1-CD2 4.35Å; L65-F369 HydrophobicContact CD1-CE2 3.9Å; L65-F369 HydrophobicContact CG-CE2 4.43Å
66	T	98.8	Very high	98.6	Very high	55 Å²	55	53.7 Å²	53.7	34%	0.337	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-54	-43.9	-179.3	-71.7	0	0	0	0	114	E62 E63 F68 R69	E62-T66 PolarHBondContact O-N 2.03Å; E62-T66 VanDerWaalsContact O-N 3.1Å; E62-T66 PolarHBondContact O-OG1 2.74Å; E63-T66 WeakPolarHBondContact O-CB 3.36Å; E63-T66 PolarHBondContact O-N 2.89Å; T66-F68 PolarHBondContact O-N 3.29Å; T66-R69 WeakPolarHBondContact O-CG 3.09Å; T66-R69 PolarHBondContact O-N 3.24Å; T66-R69 PolarHBondContact OG1-NE 3.32Å; T66-R69 PolarHBondContact OG1-NH2 2.84Å
67	P	98.8	Very high	98.7	Very high	54 Å²	54	53.3 Å²	53.3	35%	0.351	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-60.3	-18.5	177.4	-25	35.6	0	0	0	114.6	L65 A144	L65-P67 VanDerWaalsContact C-CD 3.49Å; P67-A144 HydrophobicContact CB-CB 4Å
68	F	98.8	Very high	98.7	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.018	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-106.7	5.2	-173.7	-50.7	-65.2	0	0	0	113.6	L65 T66 G70 G71 I72 A144 P146 I159	L65-F68 PolarHBondContact O-N 2.99Å; T66-F68 PolarHBondContact O-N 3.29Å; F68-G70 PolarHBondContact O-N 3.06Å; F68-G70 VanDerWaalsContact O-N 3.11Å; F68-G71 PolarHBondContact O-N 2.75Å; F68-I72 HydrophobicContact CB-CD1 4Å; F68-I72 HydrophobicContact CB-CG1 3.97Å; F68-I72 HydrophobicContact CD1-CG1 4.25Å; F68-I72 HydrophobicContact CG-CD1 4.26Å; F68-I72 HydrophobicContact CG-CG1 4.34Å; F68-A144 HydrophobicContact CE1-CB 3.98Å; F68-A144 HydrophobicContact CZ-CB 4.44Å; F68-P146 HydrophobicContact CD1-CB 4.26Å; F68-P146 HydrophobicContact CE1-CB 3.99Å; F68-P146 HydrophobicContact CE2-CB 4.4Å; F68-P146 HydrophobicContact CZ-CB 4.06Å; F68-I159 HydrophobicContact CD2-CD1 4Å; F68-I159 HydrophobicContact CD2-CG1 4.36Å; F68-I159 HydrophobicContact CE2-CD1 3.71Å; F68-I159 HydrophobicContact CE2-CG1 3.77Å
69	R	98.3	Very high	98.7	Very high	137 Å²	137	54.9 Å²	54.9	52%	0.517	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.8	178.2	-72	177	-177.3	-168.8	-0.3	113.7	E62 T66 G71 F369	E62-R69 IonicContact OE1-NH2 2.65Å; E62-R69 PolarHBondContact OE1-NH2 2.98Å; T66-R69 WeakPolarHBondContact O-CG 3.09Å; T66-R69 PolarHBondContact O-N 3.24Å; T66-R69 PolarHBondContact OG1-NE 3.32Å; T66-R69 PolarHBondContact OG1-NH2 2.84Å; R69-G71 PolarHBondContact O-N 2.69Å; R69-F369 HydrophobicContact CB-CE1 4.26Å; R69-F369 HydrophobicContact CG-CE1 3.94Å; R69-F369 HydrophobicContact CG-CZ 4.21Å
70	G	97.8	Very high	98.7	Very high	88 Å²	88	52.6 Å²	52.6	91%	0.907	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-5.8	173.8	0	0	0	0	0	115	F68	F68-G70 PolarHBondContact O-N 3.06Å; F68-G70 VanDerWaalsContact O-N 3.11Å
71	G	98.5	Very high	98.7	Very high	26 Å²	26	53 Å²	53	27%	0.268	29%	0.288	S	S	.	.			trans	97.4	141.8	178.5	0	0	0	0	0	114	F68 R69 F369	F68-G71 PolarHBondContact O-N 2.75Å; R69-G71 PolarHBondContact O-N 2.69Å; G71-F369 CarbonylContact C-O 3.59Å; G71-F369 VanDerWaalsContact CA-O 3.31Å; G71-F369 WeakPolarHBondContact CA-O 3.47Å
72	I	98.9	Very high	98.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-99.4	108.2	177.7	-61.4	162.6	0	0	0	107.8	F68 M76 M77 P146 Y366 F369 L370 S371 Y372	F68-I72 HydrophobicContact CB-CD1 4Å; F68-I72 HydrophobicContact CB-CG1 3.97Å; F68-I72 HydrophobicContact CD1-CG1 4.25Å; F68-I72 HydrophobicContact CG-CD1 4.26Å; F68-I72 HydrophobicContact CG-CG1 4.34Å; I72-M76 HydrophobicContact CB-SD 4.42Å; I72-M76 HydrophobicContact CG1-SD 4.4Å; I72-M76 HydrophobicContact CG2-SD 4.08Å; I72-M77 HydrophobicContact CG2-CE 4.29Å; I72-P146 HydrophobicContact CD1-CB 4.01Å; I72-P146 HydrophobicContact CD1-CG 3.91Å; I72-P146 HydrophobicContact CG1-CG 4.13Å; I72-P146 HydrophobicContact CG2-CG 3.83Å; I72-Y366 HydrophobicContact CD1-CD2 4.14Å; I72-Y366 HydrophobicContact CD1-CE2 3.35Å; I72-F369 HydrophobicContact CD1-CB 4.1Å; I72-F369 HydrophobicContact CG1-CB 4.45Å; I72-F369 PolarHBondContact N-O 3.21Å; I72-L370 HydrophobicContact CB-CD2 4.02Å; I72-L370 HydrophobicContact CG2-CD2 3.79Å; I72-S371 PolarHBondContact O-N 3.37Å; I72-S371 PolarHBondContact O-OG 2.83Å; I72-Y372 WeakPolarHBondContact O-CD1 3.29Å; I72-Y372 WeakPolarHBondContact O-CE1 3.29Å
73	S	98.8	Very high	98.7	Very high	47 Å²	47	60.5 Å²	60.5	33%	0.329	31%	0.312	S	S	.	.			trans	-80	158.6	-179.4	74.4	0	0	0	0	112.9	K75 M76 M77 S371	S73-K75 PolarHBondContact O-N 2.92Å; S73-M76 WeakPolarHBondContact O-CB 3.38Å; S73-M76 PolarHBondContact O-N 3.01Å; S73-M76 VanDerWaalsContact O-N 3.1Å; S73-M76 PolarHBondContact OG-N 3.47Å; S73-M77 PolarHBondContact O-N 2.8Å; S73-S371 WeakPolarHBondContact CA-OG 3.04Å
74	R	98.8	Very high	98.6	Very high	115 Å²	115	61.6 Å²	61.6	43%	0.434	31%	0.314	S	S	.	.	H	α-helix	trans	-54.2	-38.8	172.9	-172.3	-175	-62.5	-77.2	2.1	112.5	A78 Y372 N373	R74-A78 WeakPolarHBondContact O-CB 3.3Å; R74-A78 PolarHBondContact O-N 3.02Å; R74-Y372 HydrophobicContact CB-CD1 4.03Å; R74-Y372 HydrophobicContact CB-CD2 3.9Å; R74-Y372 HydrophobicContact CB-CE1 4.29Å; R74-Y372 HydrophobicContact CB-CE2 4.12Å; R74-Y372 HydrophobicContact CB-CG 3.84Å; R74-Y372 HydrophobicContact CG-CD2 4.13Å; R74-Y372 HydrophobicContact CG-CE2 4.14Å; R74-Y372 VanDerWaalsContact CZ-CD2 3.46Å; R74-Y372 VanDerWaalsContact N-CD1 3.26Å; R74-N373 PolarHBondContact NH2-O 3.13Å
75	K	98.7	Very high	98.6	Very high	181 Å²	181	62 Å²	62	79%	0.787	32%	0.316	S	S	*	.	H	α-helix	trans	-66.8	-42.1	178.5	-71.3	-175.5	179.7	179.2	0	111.5	S73 A78 E79	S73-K75 PolarHBondContact O-N 2.92Å; K75-A78 PolarHBondContact O-N 3.2Å; K75-E79 PolarHBondContact O-N 3.46Å
76	M	98.8	Very high	98.6	Very high	36 Å²	36	62.5 Å²	62.5	18%	0.177	32%	0.323	C	S	.	.	H	α-helix	trans	-60	-51.2	176	-176.6	-174.5	-78.5	0	0	110.5	I72 S73 A78 E79 V80 A144 I145	I72-M76 HydrophobicContact CB-SD 4.42Å; I72-M76 HydrophobicContact CG1-SD 4.4Å; I72-M76 HydrophobicContact CG2-SD 4.08Å; S73-M76 WeakPolarHBondContact O-CB 3.38Å; S73-M76 PolarHBondContact O-N 3.01Å; S73-M76 VanDerWaalsContact O-N 3.1Å; S73-M76 PolarHBondContact OG-N 3.47Å; M76-A78 PolarHBondContact O-N 3.26Å; M76-E79 WeakPolarHBondContact O-CB 3.34Å; M76-E79 PolarHBondContact O-N 3.45Å; M76-E79 VanDerWaalsContact O-N 3.12Å; M76-V80 VanDerWaalsContact O-CG2 3.28Å; M76-V80 WeakPolarHBondContact O-CG2 3.41Å; M76-V80 PolarHBondContact O-N 3.46Å; M76-A144 WeakPolarHBondContact CE-O 3.33Å; M76-I145 HydrophobicContact CG-CB 4.47Å; M76-I145 HydrophobicContact CG-CG2 3.9Å
77	M	98.9	Very high	98.6	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-59.9	-43.8	177.8	-176	58.2	68	0	0	112.4	I72 S73 E79 V80 V81 E126 V128 P146 Y366 L370 Y372	I72-M77 HydrophobicContact CG2-CE 4.29Å; S73-M77 PolarHBondContact O-N 2.8Å; M77-E79 PolarHBondContact O-N 2.98Å; M77-V80 PolarHBondContact O-N 2.91Å; M77-V81 WeakPolarHBondContact O-CG2 3.16Å; M77-V81 PolarHBondContact O-N 2.82Å; M77-V81 HydrophobicContact SD-CG2 4.35Å; M77-E126 HydrophobicContact CE-CG 4.32Å; M77-E126 VanDerWaalsContact CE-O 3.29Å; M77-E126 WeakPolarHBondContact CE-O 3.35Å; M77-E126 HydrophobicContact CG-CG 3.88Å; M77-E126 HydrophobicContact SD-CG 4.42Å; M77-V128 HydrophobicContact SD-CG2 4.06Å; M77-P146 HydrophobicContact CE-CG 4.28Å; M77-Y366 WeakPolarHBondContact CE-OH 3.48Å; M77-L370 HydrophobicContact CE-CD2 4.3Å; M77-Y372 VanDerWaalsContact CB-OH 3.24Å; M77-Y372 WeakPolarHBondContact CB-OH 3.33Å; M77-Y372 WeakPolarHBondContact CG-OH 3.49Å
78	A	98.6	Very high	98.6	Very high	45 Å²	45	57.8 Å²	57.8	37%	0.372	29%	0.293	S	S	.	.	H	α-helix	trans	-57.9	-38.6	176.3	0	0	0	0	0	112.3	R74 K75 M76 R82	R74-A78 WeakPolarHBondContact O-CB 3.3Å; R74-A78 PolarHBondContact O-N 3.02Å; K75-A78 PolarHBondContact O-N 3.2Å; M76-A78 PolarHBondContact O-N 3.26Å; A78-R82 WeakPolarHBondContact O-CB 3.31Å; A78-R82 PolarHBondContact O-N 3.12Å
79	E	98.5	Very high	98.6	Very high	72 Å²	72	57.6 Å²	57.6	34%	0.336	29%	0.292	S	S	.	.	H	α-helix	trans	-68.4	-42	176.5	-178.5	59.8	-165.8	0	0	112.4	K75 M76 M77 V81 R82 R83	K75-E79 PolarHBondContact O-N 3.46Å; M76-E79 WeakPolarHBondContact O-CB 3.34Å; M76-E79 PolarHBondContact O-N 3.45Å; M76-E79 VanDerWaalsContact O-N 3.12Å; M77-E79 PolarHBondContact O-N 2.98Å; E79-V81 VanDerWaalsContact C-N 3.33Å; E79-V81 PolarHBondContact O-N 3.2Å; E79-R82 PolarHBondContact O-N 3.42Å; E79-R82 IonicContact OE1-CZ 2.75Å; E79-R82 IonicContact OE1-NE 3.01Å; E79-R82 IonicContact OE1-NH2 2.83Å; E79-R82 PolarHBondContact OE1-NH2 3.38Å; E79-R82 IonicContact OE2-CZ 2.64Å; E79-R82 IonicContact OE2-NE 2.79Å; E79-R82 PolarHBondContact OE2-NE 2.98Å; E79-R82 IonicContact OE2-NH2 3.29Å; E79-R82 PolarHBondContact OE2-NH2 3.05Å; E79-R83 WeakPolarHBondContact O-CB 3.38Å; E79-R83 VanDerWaalsContact O-CG 3.29Å; E79-R83 WeakPolarHBondContact O-CG 3.12Å; E79-R83 PolarHBondContact O-N 3.09Å; E79-R83 WeakPolarHBondContact OE1-CD 3.31Å
80	V	98.7	Very high	98.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.1	-47.7	175.5	-170.8	0	0	0	0	110.8	M76 M77 R83 K84 L85 V128 I145 V147	M76-V80 VanDerWaalsContact O-CG2 3.28Å; M76-V80 WeakPolarHBondContact O-CG2 3.41Å; M76-V80 PolarHBondContact O-N 3.46Å; M77-V80 PolarHBondContact O-N 2.91Å; V80-R83 PolarHBondContact O-N 3.29Å; V80-K84 PolarHBondContact O-N 3.42Å; V80-L85 HydrophobicContact CG1-CD1 4.34Å; V80-V128 HydrophobicContact CB-CG2 4.17Å; V80-V128 HydrophobicContact CG1-CB 3.78Å; V80-V128 HydrophobicContact CG1-CG1 4.04Å; V80-V128 HydrophobicContact CG1-CG2 3.69Å; V80-I145 HydrophobicContact CG2-CB 3.74Å; V80-I145 HydrophobicContact CG2-CD1 4.11Å; V80-I145 HydrophobicContact CG2-CG1 4.34Å; V80-I145 HydrophobicContact CG2-CG2 4.34Å; V80-V147 HydrophobicContact CG1-CG2 3.55Å
81	V	98.7	Very high	98.7	Very high	16 Å²	16	46.9 Å²	46.9	10%	0.097	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-44.3	178.5	177.8	0	0	0	0	111.1	M77 E79 R83 K84 H88 V128	M77-V81 WeakPolarHBondContact O-CG2 3.16Å; M77-V81 PolarHBondContact O-N 2.82Å; M77-V81 HydrophobicContact SD-CG2 4.35Å; E79-V81 VanDerWaalsContact C-N 3.33Å; E79-V81 PolarHBondContact O-N 3.2Å; V81-R83 PolarHBondContact O-N 2.93Å; V81-K84 PolarHBondContact O-N 3.05Å; V81-H88 HydrophobicContact CG1-CB 4.27Å; V81-H88 HydrophobicContact CG2-CB 4.08Å; V81-V128 HydrophobicContact CG2-CG2 3.66Å
82	R	98.6	Very high	98.7	Very high	169 Å²	169	46.8 Å²	46.8	64%	0.638	22%	0.218	S	C	*	.	H	α-helix	trans	-59	-36.9	178.8	-170.4	-168.2	70.4	79.2	0.6	112	A78 E79 K84	A78-R82 WeakPolarHBondContact O-CB 3.31Å; A78-R82 PolarHBondContact O-N 3.12Å; E79-R82 PolarHBondContact O-N 3.42Å; E79-R82 IonicContact OE1-CZ 2.75Å; E79-R82 IonicContact OE1-NE 3.01Å; E79-R82 IonicContact OE1-NH2 2.83Å; E79-R82 PolarHBondContact OE1-NH2 3.38Å; E79-R82 IonicContact OE2-CZ 2.64Å; E79-R82 IonicContact OE2-NE 2.79Å; E79-R82 PolarHBondContact OE2-NE 2.98Å; E79-R82 IonicContact OE2-NH2 3.29Å; E79-R82 PolarHBondContact OE2-NH2 3.05Å; R82-K84 VanDerWaalsContact C-N 3.25Å; R82-K84 PolarHBondContact O-N 3.25Å
83	R	98.4	Very high	98.7	Very high	92 Å²	92	54.4 Å²	54.4	35%	0.347	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-8.3	179.3	-70.5	177	64	-174.9	-3.1	114	E79 V80 V81 L85 M141 I145	E79-R83 WeakPolarHBondContact O-CB 3.38Å; E79-R83 VanDerWaalsContact O-CG 3.29Å; E79-R83 WeakPolarHBondContact O-CG 3.12Å; E79-R83 PolarHBondContact O-N 3.09Å; E79-R83 WeakPolarHBondContact OE1-CD 3.31Å; V80-R83 PolarHBondContact O-N 3.29Å; V81-R83 PolarHBondContact O-N 2.93Å; R83-L85 VanDerWaalsContact C-N 3.27Å; R83-L85 HydrophobicContact CB-CD1 4.26Å; R83-L85 HydrophobicContact CB-CD2 4.02Å; R83-L85 HydrophobicContact CB-CG 3.78Å; R83-L85 PolarHBondContact O-N 3.22Å; R83-M141 PolarHBondContact NH1-SD 3.38Å; R83-I145 VanDerWaalsContact NH1-CD1 3.28Å
84	K	98.4	Very high	98.7	Very high	144 Å²	144	55.8 Å²	55.8	63%	0.626	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	41.3	179.8	-59.2	-168.7	173.8	-162.3	0	113.4	V80 V81 R82 G86	V80-K84 PolarHBondContact O-N 3.42Å; V81-K84 PolarHBondContact O-N 3.05Å; R82-K84 VanDerWaalsContact C-N 3.25Å; R82-K84 PolarHBondContact O-N 3.25Å; K84-G86 PolarHBondContact O-N 2.84Å
85	L	98.4	Very high	98.7	Very high	15 Å²	15	56.8 Å²	56.8	8%	0.079	26%	0.258	C	S	.	.			trans	-72.9	-15.1	-180	-57.4	-177.2	0	0	0	112.8	V80 R83 N130 Q136 I145 V147	V80-L85 HydrophobicContact CG1-CD1 4.34Å; R83-L85 VanDerWaalsContact C-N 3.27Å; R83-L85 HydrophobicContact CB-CD1 4.26Å; R83-L85 HydrophobicContact CB-CD2 4.02Å; R83-L85 HydrophobicContact CB-CG 3.78Å; R83-L85 PolarHBondContact O-N 3.22Å; L85-N130 WeakPolarHBondContact O-CB 3.5Å; L85-Q136 HydrophobicContact CB-CB 4.23Å; L85-Q136 HydrophobicContact CB-CG 4.4Å; L85-Q136 WeakPolarHBondContact O-CG 3.26Å; L85-I145 HydrophobicContact CD1-CD1 3.53Å; L85-V147 HydrophobicContact CB-CG1 4.48Å; L85-V147 HydrophobicContact CB-CG2 3.87Å; L85-V147 HydrophobicContact CD1-CG2 3.86Å
86	G	98.8	Very high	98.7	Very high	16 Å²	16	48.2 Å²	48.2	17%	0.165	22%	0.221	C	C	.	.	S	Bend	trans	-168.2	-167.4	175.3	0	0	0	0	0	110.3	K84 V128	K84-G86 PolarHBondContact O-N 2.84Å; G86-V128 VanDerWaalsContact CA-CG1 3.48Å
87	T	98.9	Very high	98.7	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.055	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.7	175.6	-62.2	0	0	0	0	109.7	Y89 R98 E99 I129	T87-Y89 HydrophobicContact CG2-CD2 4.24Å; T87-Y89 HydrophobicContact CG2-CE2 3.58Å; T87-Y89 VanDerWaalsContact O-CD2 3.3Å; T87-Y89 WeakPolarHBondContact O-CD2 3.46Å; T87-R98 HydrophobicContact CG2-CG 3.59Å; T87-E99 VanDerWaalsContact CA-OE1 3.31Å; T87-E99 WeakPolarHBondContact CA-OE1 3.3Å; T87-E99 HydrophobicContact CG2-CG 4.05Å; T87-I129 PolarHBondContact N-O 3.48Å; T87-I129 PolarHBondContact O-N 3.47Å
88	H	98.9	Very high	98.7	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.8	-177.4	-175.8	-138.7	0	0	0	111.8	V81 R98 E99 E126 M127 V128 Y380	V81-H88 HydrophobicContact CG1-CB 4.27Å; V81-H88 HydrophobicContact CG2-CB 4.08Å; H88-R98 WeakPolarHBondContact O-CA 3.32Å; H88-R98 WeakPolarHBondContact O-CG 3.36Å; H88-E99 PolarHBondContact N-OE1 2.79Å; H88-E99 PolarHBondContact O-N 3.14Å; H88-E99 VanDerWaalsContact O-N 3.08Å; H88-E126 IonicContact CE1-OE2 2.75Å; H88-E126 PolarHBondContact CE1-OE2 2.75Å; H88-E126 IonicContact NE2-OE2 3.71Å; H88-E126 PolarHBondContact NE2-OE2 2.84Å; H88-M127 PolarHBondContact CD2-O 3.42Å; H88-V128 HydrophobicContact CB-CG2 4.44Å; H88-Y380 HydrophobicContact CB-CE2 4.32Å; H88-Y380 AromaticContact CE1-CE2 3.9Å; H88-Y380 AromaticContact CG-CE2 3.99Å; H88-Y380 AromaticContact ND1-CE2 3.23Å; H88-Y380 WeakPolarHBondContact ND1-CE2 3.38Å; H88-Y380 AromaticContact ND1-CZ 3.44Å; H88-Y380 PolarHBondContact ND1-OH 2.82Å
89	Y	98.9	Very high	98.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.3	177.7	-70	-93.1	0	0	0	111	T87 L96 Y97 R98 C108 E112 E126 M127 I129	T87-Y89 HydrophobicContact CG2-CD2 4.24Å; T87-Y89 HydrophobicContact CG2-CE2 3.58Å; T87-Y89 VanDerWaalsContact O-CD2 3.3Å; T87-Y89 WeakPolarHBondContact O-CD2 3.46Å; Y89-L96 HydrophobicContact CD1-CD1 3.86Å; Y89-L96 HydrophobicContact CD1-CD2 4.28Å; Y89-L96 HydrophobicContact CD1-CG 4.16Å; Y89-L96 HydrophobicContact CE1-CD2 4.46Å; Y89-Y97 CarbonylContact C-O 3.59Å; Y89-Y97 VanDerWaalsContact CA-O 3.3Å; Y89-Y97 WeakPolarHBondContact CA-O 3.11Å; Y89-R98 HydrophobicContact CD1-CB 3.8Å; Y89-R98 HydrophobicContact CD1-CG 3.59Å; Y89-R98 HydrophobicContact CD2-CG 4.33Å; Y89-R98 HydrophobicContact CE1-CB 3.81Å; Y89-R98 HydrophobicContact CE1-CG 3.34Å; Y89-R98 HydrophobicContact CE2-CG 4.12Å; Y89-R98 HydrophobicContact CG-CG 4.09Å; Y89-R98 WeakPolarHBondContact OH-CD 3.25Å; Y89-C108 WeakPolarHBondContact OH-CB 3.37Å; Y89-E112 HydrophobicContact CE1-CG 3.81Å; Y89-E112 PolarHBondContact OH-OE1 3.43Å; Y89-E126 VanDerWaalsContact O-CA 3.3Å; Y89-E126 WeakPolarHBondContact O-CA 3.09Å; Y89-E126 WeakPolarHBondContact O-CB 3.23Å; Y89-M127 HydrophobicContact CG-CE 4.26Å; Y89-M127 PolarHBondContact N-O 3.31Å; Y89-M127 PolarHBondContact O-N 3.38Å; Y89-I129 HydrophobicContact CD2-CB 4.13Å; Y89-I129 HydrophobicContact CD2-CD1 3.89Å; Y89-I129 HydrophobicContact CD2-CG1 4Å; Y89-I129 HydrophobicContact CE2-CB 4.07Å; Y89-I129 HydrophobicContact CE2-CD1 4.17Å; Y89-I129 HydrophobicContact CE2-CG1 4.36Å
90	Q	98.9	Very high	98.6	Very high	1 Å²	1	50 Å²	50	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136	174.1	-51.6	-173.6	-63.7	0	0	109.7	L96 Y97 M125 E126 V374 T375 Y380	Q90-L96 CarbonylContact O-C 3.58Å; Q90-Y97 PolarHBondContact N-O 3.23Å; Q90-Y97 PolarHBondContact O-N 3.04Å; Q90-M125 CarbonylContact C-O 3.59Å; Q90-M125 WeakPolarHBondContact CA-O 3.4Å; Q90-E126 HydrophobicContact CB-CB 4.24Å; Q90-E126 HydrophobicContact CG-CB 3.81Å; Q90-E126 PolarHBondContact NE2-OE2 2.97Å; Q90-V374 HydrophobicContact CB-CG1 4.44Å; Q90-T375 PolarHBondContact NE2-O 3.18Å; Q90-Y380 HydrophobicContact CG-CD2 4.39Å; Q90-Y380 HydrophobicContact CG-CE2 4.45Å
91	I	98.9	Very high	98.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.2	171.2	-61.7	175.4	0	0	0	107.2	R95 L96 I115 I119 L122 D124 M125 M127	I91-R95 WeakPolarHBondContact CA-O 3.15Å; I91-L96 HydrophobicContact CG1-CD1 3.83Å; I91-I115 HydrophobicContact CD1-CG2 3.95Å; I91-I119 HydrophobicContact CD1-CG1 4.43Å; I91-I119 HydrophobicContact CG1-CD1 4.25Å; I91-I119 HydrophobicContact CG2-CD1 4.13Å; I91-I119 HydrophobicContact CG2-CG1 3.92Å; I91-L122 HydrophobicContact CD1-CB 4.45Å; I91-L122 HydrophobicContact CD1-CD1 3.66Å; I91-D124 CarbonylContact O-C 3.55Å; I91-D124 WeakPolarHBondContact O-CA 3.31Å; I91-M125 HydrophobicContact CB-CG 4.17Å; I91-M125 HydrophobicContact CD1-CG 4.15Å; I91-M125 HydrophobicContact CD1-SD 4.36Å; I91-M125 HydrophobicContact CG1-CG 4.41Å; I91-M125 PolarHBondContact N-O 3.43Å; I91-M125 PolarHBondContact O-N 3.05Å; I91-M127 HydrophobicContact CD1-CE 4.32Å
92	I	98.9	Very high	98.5	Very high	24 Å²	24	55.2 Å²	55.2	12%	0.123	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	122.5	178.6	-60.5	164.3	0	0	0	108.7	N94 R95 Y97 D124 V374 R376	I92-N94 VanDerWaalsContact C-N 3.31Å; I92-N94 PolarHBondContact O-N 2.97Å; I92-R95 PolarHBondContact N-O 3.3Å; I92-R95 PolarHBondContact O-N 3.2Å; I92-Y97 HydrophobicContact CB-CE2 4.17Å; I92-D124 WeakPolarHBondContact CA-OD1 3.39Å; I92-V374 HydrophobicContact CD1-CG1 4.1Å; I92-V374 HydrophobicContact CG1-CG1 4.15Å; I92-R376 VanDerWaalsContact CD1-CA 3.46Å; I92-R376 HydrophobicContact CD1-CB 3.54Å; I92-R376 HydrophobicContact CD1-CG 4.42Å
93	K	98.4	Very high	98.3	Very high	159 Å²	159	52.7 Å²	52.7	69%	0.691	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	50	-175.8	-59.8	-179.4	178	-174.7	0	111.5	R95 D124	K93-R95 PolarHBondContact O-N 3.4Å; K93-R95 VanDerWaalsContact O-N 3.15Å; K93-D124 PolarHBondContact N-OD1 3.41Å
94	N	98.5	Very high	98.3	Very high	77 Å²	77	51.8 Å²	51.8	41%	0.412	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	27.2	179.8	-49.2	102.2	0	0	0	114.4	I92 I119 G120 L122	I92-N94 VanDerWaalsContact C-N 3.31Å; I92-N94 PolarHBondContact O-N 2.97Å; N94-I119 WeakPolarHBondContact CB-O 3.48Å; N94-I119 PolarHBondContact ND2-O 2.95Å; N94-G120 PolarHBondContact ND2-O 2.72Å; N94-L122 PolarHBondContact ND2-O 3.37Å
95	R	98.8	Very high	98.2	Very high	135 Å²	135	49.1 Å²	49.1	51%	0.509	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.3	175.9	-64	173.3	-170.2	-179.2	1.6	110.1	I91 I92 K93 Y97 Q382	I91-R95 WeakPolarHBondContact CA-O 3.15Å; I92-R95 PolarHBondContact N-O 3.3Å; I92-R95 PolarHBondContact O-N 3.2Å; K93-R95 PolarHBondContact O-N 3.4Å; K93-R95 VanDerWaalsContact O-N 3.15Å; R95-Y97 HydrophobicContact CB-CE2 3.69Å; R95-Y97 WeakPolarHBondContact CD-OH 3.28Å; R95-Y97 WeakPolarHBondContact O-CD2 3.34Å; R95-Y97 VanDerWaalsContact O-CE2 3.31Å; R95-Y97 WeakPolarHBondContact O-CE2 3.29Å; R95-Q382 HydrophobicContact CB-CG 4.49Å
96	L	98.9	Very high	98.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.6	178.8	-170.6	59	0	0	0	110.1	Y89 Q90 I91 E112 I115 L116 I119 Q382 I383	Y89-L96 HydrophobicContact CD1-CD1 3.86Å; Y89-L96 HydrophobicContact CD1-CD2 4.28Å; Y89-L96 HydrophobicContact CD1-CG 4.16Å; Y89-L96 HydrophobicContact CE1-CD2 4.46Å; Q90-L96 CarbonylContact O-C 3.58Å; I91-L96 HydrophobicContact CG1-CD1 3.83Å; L96-E112 HydrophobicContact CD2-CB 4.45Å; L96-E112 HydrophobicContact CD2-CG 4.19Å; L96-I115 HydrophobicContact CD1-CG2 3.95Å; L96-I115 HydrophobicContact CD2-CB 4.27Å; L96-I115 HydrophobicContact CD2-CG2 3.96Å; L96-L116 HydrophobicContact CB-CD2 4Å; L96-L116 HydrophobicContact CD2-CD2 4.23Å; L96-L116 HydrophobicContact CD2-CG 4.24Å; L96-I119 HydrophobicContact CB-CD1 3.63Å; L96-I119 VanDerWaalsContact N-CD1 3.28Å; L96-Q382 CarbonylContact O-C 3.19Å; L96-Q382 WeakPolarHBondContact O-CA 3.41Å; L96-Q382 WeakPolarHBondContact O-CG 3.28Å; L96-I383 HydrophobicContact CB-CB 4.26Å; L96-I383 HydrophobicContact CD2-CB 4.06Å; L96-I383 HydrophobicContact CD2-CG1 4.38Å; L96-I383 HydrophobicContact CD2-CG2 4.33Å; L96-I383 HydrophobicContact CG-CB 4.16Å; L96-I383 HydrophobicContact CG-CG1 4.29Å; L96-I383 PolarHBondContact O-N 3.33Å
97	Y	98.9	Very high	98.2	Very high	15 Å²	15	52 Å²	52	6%	0.059	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.7	172.3	-53.7	-89.4	0	0	0	109	Y89 Q90 I92 R95 R376 D381 Q382	Y89-Y97 CarbonylContact C-O 3.59Å; Y89-Y97 VanDerWaalsContact CA-O 3.3Å; Y89-Y97 WeakPolarHBondContact CA-O 3.11Å; Q90-Y97 PolarHBondContact N-O 3.23Å; Q90-Y97 PolarHBondContact O-N 3.04Å; I92-Y97 HydrophobicContact CB-CE2 4.17Å; R95-Y97 HydrophobicContact CB-CE2 3.69Å; R95-Y97 WeakPolarHBondContact CD-OH 3.28Å; R95-Y97 WeakPolarHBondContact O-CD2 3.34Å; R95-Y97 VanDerWaalsContact O-CE2 3.31Å; R95-Y97 WeakPolarHBondContact O-CE2 3.29Å; Y97-R376 HydrophobicContact CD1-CG 4.33Å; Y97-R376 VanDerWaalsContact CD1-NE 3.29Å; Y97-R376 HydrophobicContact CD2-CG 4.49Å; Y97-R376 VanDerWaalsContact CE1-CZ 3.47Å; Y97-R376 VanDerWaalsContact CE1-NE 3.34Å; Y97-R376 HydrophobicContact CG-CG 4.28Å; Y97-D381 WeakPolarHBondContact CA-O 3.27Å; Y97-Q382 HydrophobicContact CD1-CB 3.96Å; Y97-Q382 HydrophobicContact CD1-CG 4.45Å; Y97-Q382 HydrophobicContact CE1-CB 3.8Å; Y97-Q382 HydrophobicContact CE1-CG 4.15Å
98	R	98.8	Very high	98.2	Very high	39 Å²	39	51.6 Å²	51.6	15%	0.147	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.5	-179.2	-164.3	-166.3	79.9	-170.1	2.5	110.7	T87 H88 Y89 N100 E112 Y380 D381 I383	T87-R98 HydrophobicContact CG2-CG 3.59Å; H88-R98 WeakPolarHBondContact O-CA 3.32Å; H88-R98 WeakPolarHBondContact O-CG 3.36Å; Y89-R98 HydrophobicContact CD1-CB 3.8Å; Y89-R98 HydrophobicContact CD1-CG 3.59Å; Y89-R98 HydrophobicContact CD2-CG 4.33Å; Y89-R98 HydrophobicContact CE1-CB 3.81Å; Y89-R98 HydrophobicContact CE1-CG 3.34Å; Y89-R98 HydrophobicContact CE2-CG 4.12Å; Y89-R98 HydrophobicContact CG-CG 4.09Å; Y89-R98 WeakPolarHBondContact OH-CD 3.25Å; R98-N100 PolarHBondContact NH2-O 3.1Å; R98-E112 WeakPolarHBondContact CD-OE1 3.36Å; R98-E112 IonicContact CZ-OE1 3.6Å; R98-E112 IonicContact NE-OE1 3.83Å; R98-E112 IonicContact NH1-OE1 2.64Å; R98-E112 PolarHBondContact NH1-OE1 3.24Å; R98-Y380 VanDerWaalsContact C-CD2 3.4Å; R98-Y380 WeakPolarHBondContact O-CA 3.29Å; R98-Y380 WeakPolarHBondContact O-CB 3.13Å; R98-D381 PolarHBondContact N-O 2.7Å; R98-I383 HydrophobicContact CB-CD1 3.92Å; R98-I383 HydrophobicContact CB-CG1 3.87Å
99	E	98.4	Very high	98.2	Very high	34 Å²	34	52.5 Å²	52.5	16%	0.159	26%	0.262	C	S	.	.			trans	-61.6	157.3	162.6	75.1	-177.5	123.5	0	0	112.3	T87 H88 D101 Y380	T87-E99 VanDerWaalsContact CA-OE1 3.31Å; T87-E99 WeakPolarHBondContact CA-OE1 3.3Å; T87-E99 HydrophobicContact CG2-CG 4.05Å; H88-E99 PolarHBondContact N-OE1 2.79Å; H88-E99 PolarHBondContact O-N 3.14Å; H88-E99 VanDerWaalsContact O-N 3.08Å; E99-D101 PolarHBondContact O-N 3.44Å; E99-Y380 HydrophobicContact CB-CD1 4.38Å; E99-Y380 HydrophobicContact CB-CE1 3.67Å; E99-Y380 HydrophobicContact CB-CE2 4.05Å; E99-Y380 VanDerWaalsContact CB-CZ 3.48Å
100	N	97.2	Very high	98.2	Very high	105 Å²	105	52.5 Å²	52.5	56%	0.561	26%	0.262	S	S	*	.	S	Bend	trans	-64.9	-42.3	-177.3	-64	-11.1	0	0	0	111.6	R98 C102 G379	R98-N100 PolarHBondContact NH2-O 3.1Å; N100-C102 PolarHBondContact O-N 3.41Å; N100-G379 PolarHBondContact OD1-O 3.31Å
101	D	97.1	Very high	98.2	Very high	106 Å²	106	52.5 Å²	52.5	57%	0.567	26%	0.262	S	S	*	.			trans	-74	120.9	-173.7	-68.1	-12.5	0	0	0	111.8	E99	E99-D101 PolarHBondContact O-N 3.44Å
102	C	97.3	Very high	98.2	Very high	19 Å²	19	53.2 Å²	53.2	13%	0.128	27%	0.265	C	S	.	.			trans	-135.2	112.6	162.9	173.6	0	0	0	0	109.3	N100 F104 C108	N100-C102 PolarHBondContact O-N 3.41Å; C102-F104 PolarHBondContact O-N 3.33Å; C102-F104 PolarHBondContact SG-O 3.02Å; C102-C108 HydrophobicContact CB-CB 4.02Å; C102-C108 WeakPolarHBondContact CB-SG 3.36Å; C102-C108 WeakPolarHBondContact SG-CB 3.32Å; C102-C108 CovalentContact SG-SG 2.03Å; C102-C108 PolarHBondContact SG-SG 3.15Å
103	M	94.8	Very high	98.1	Very high	115 Å²	115	54.1 Å²	54.1	57%	0.567	27%	0.269	S	S	*	.	S	Bend	trans	-62.9	-27.7	-177.4	-179.2	170.1	-71.2	0	0	113.1	R132	M103-R132 VanDerWaalsContact SD-CZ 3.54Å; M103-R132 PolarHBondContact SD-NH1 3.32Å; M103-R132 PolarHBondContact SD-NH2 3.44Å; M103-R132 VanDerWaalsContact SD-NH2 3.44Å
104	F	97.3	Very high	98.2	Very high	74 Å²	74	46.6 Å²	46.6	33%	0.325	24%	0.236	S	C	.	.	S	Bend	trans	-126.4	82.3	178.7	-64.1	-73.7	0	0	0	110.1	C102 S106 R107 C108 V131 R132	C102-F104 PolarHBondContact O-N 3.33Å; C102-F104 PolarHBondContact SG-O 3.02Å; F104-S106 PolarHBondContact O-N 3.28Å; F104-R107 HydrophobicContact CB-CB 3.86Å; F104-R107 VanDerWaalsContact CB-CD 3.48Å; F104-R107 HydrophobicContact CB-CG 3.66Å; F104-R107 HydrophobicContact CG-CG 4.44Å; F104-R107 WeakPolarHBondContact O-CA 3.47Å; F104-R107 WeakPolarHBondContact O-CB 3.1Å; F104-R107 PolarHBondContact O-N 2.94Å; F104-C108 PolarHBondContact O-N 2.64Å; F104-C108 VanDerWaalsContact O-N 3.11Å; F104-V131 HydrophobicContact CB-CG2 4.36Å; F104-V131 HydrophobicContact CD2-CG2 4.39Å; F104-R132 HydrophobicContact CE2-CG 4.26Å
105	P	97.9	Very high	98.2	Very high	88 Å²	88	42.9 Å²	42.9	57%	0.571	22%	0.217	S	C	*	.	H	α-helix	trans	-53.9	-45.3	-169.9	-29.8	36.3	0	0	0	114.3	R107 C108 S109	P105-R107 VanDerWaalsContact C-N 3.27Å; P105-R107 PolarHBondContact O-N 3.36Å; P105-C108 PolarHBondContact O-N 3.46Å; P105-S109 PolarHBondContact O-N 2.97Å; P105-S109 PolarHBondContact O-OG 3.44Å
106	S	98.1	Very high	98.2	Very high	61 Å²	61	38.3 Å²	38.3	43%	0.427	20%	0.202	S	C	.	.	H	α-helix	trans	-64.5	-30.1	177.5	-55.6	0	0	0	0	112.9	F104 S109 G110 E168	F104-S106 PolarHBondContact O-N 3.28Å; S106-S109 PolarHBondContact O-N 3.47Å; S106-G110 PolarHBondContact O-N 3.43Å; S106-E168 WeakPolarHBondContact O-CG 3.24Å
107	R	98.6	Very high	98.1	Very high	31 Å²	31	42.6 Å²	42.6	12%	0.117	22%	0.222	C	C	.	.	H	α-helix	trans	-70.9	-41.8	175.5	-59	-174.9	-180	-167.1	-1.7	111.1	F104 P105 S109 G110 V111 V131 D133 W164 G169	F104-R107 HydrophobicContact CB-CB 3.86Å; F104-R107 VanDerWaalsContact CB-CD 3.48Å; F104-R107 HydrophobicContact CB-CG 3.66Å; F104-R107 HydrophobicContact CG-CG 4.44Å; F104-R107 WeakPolarHBondContact O-CA 3.47Å; F104-R107 WeakPolarHBondContact O-CB 3.1Å; F104-R107 PolarHBondContact O-N 2.94Å; P105-R107 VanDerWaalsContact C-N 3.27Å; P105-R107 PolarHBondContact O-N 3.36Å; R107-S109 VanDerWaalsContact C-N 3.35Å; R107-G110 PolarHBondContact O-N 3.32Å; R107-V111 PolarHBondContact O-N 2.79Å; R107-V111 VanDerWaalsContact O-N 3.09Å; R107-V131 HydrophobicContact CB-CB 3.91Å; R107-V131 HydrophobicContact CB-CG1 4.29Å; R107-V131 HydrophobicContact CB-CG2 4.49Å; R107-V131 WeakPolarHBondContact CD-O 3.2Å; R107-V131 PolarHBondContact NH1-O 3.13Å; R107-D133 IonicContact CZ-OD1 3.31Å; R107-D133 VanDerWaalsContact CZ-OD1 3.23Å; R107-D133 IonicContact NH1-OD1 3.23Å; R107-D133 PolarHBondContact NH1-OD1 3.04Å; R107-D133 IonicContact NH2-OD1 3.87Å; R107-D133 PolarHBondContact NH2-OD1 2.72Å; R107-W164 HydrophobicContact CB-CB 4.14Å; R107-W164 HydrophobicContact CB-CD2 3.7Å; R107-W164 HydrophobicContact CB-CE3 4.1Å; R107-W164 HydrophobicContact CB-CG 3.69Å; R107-W164 HydrophobicContact CG-CD2 3.77Å; R107-W164 HydrophobicContact CG-CE3 4.49Å; R107-W164 HydrophobicContact CG-CG 3.8Å; R107-W164 HydrophobicContact CG-CZ2 4.32Å; R107-W164 VanDerWaalsContact CZ-CZ2 3.46Å; R107-W164 VanDerWaalsContact O-CB 3.25Å; R107-W164 WeakPolarHBondContact O-CB 3.42Å; R107-G169 WeakPolarHBondContact CG-O 3.44Å
108	C	98.6	Very high	98.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-45.5	171.4	-70	0	0	0	0	111	Y89 C102 F104 P105 G110 V111 E112	Y89-C108 WeakPolarHBondContact OH-CB 3.37Å; C102-C108 HydrophobicContact CB-CB 4.02Å; C102-C108 WeakPolarHBondContact CB-SG 3.36Å; C102-C108 WeakPolarHBondContact SG-CB 3.32Å; C102-C108 CovalentContact SG-SG 2.03Å; C102-C108 PolarHBondContact SG-SG 3.15Å; F104-C108 PolarHBondContact O-N 2.64Å; F104-C108 VanDerWaalsContact O-N 3.11Å; P105-C108 PolarHBondContact O-N 3.46Å; C108-G110 VanDerWaalsContact C-N 3.33Å; C108-G110 PolarHBondContact O-N 2.9Å; C108-V111 PolarHBondContact O-N 3.43Å; C108-V111 VanDerWaalsContact O-N 3.12Å; C108-E112 WeakPolarHBondContact O-CB 3.29Å; C108-E112 VanDerWaalsContact O-CD 3.29Å; C108-E112 WeakPolarHBondContact O-CG 3.18Å; C108-E112 PolarHBondContact O-N 2.99Å
109	S	98.5	Very high	98.1	Very high	19 Å²	19	40.8 Å²	40.8	13%	0.133	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-39.2	176	-65.1	0	0	0	0	113.4	P105 S106 R107 V111 E112 H113 E168	P105-S109 PolarHBondContact O-N 2.97Å; P105-S109 PolarHBondContact O-OG 3.44Å; S106-S109 PolarHBondContact O-N 3.47Å; R107-S109 VanDerWaalsContact C-N 3.35Å; S109-V111 PolarHBondContact O-N 3.13Å; S109-E112 WeakPolarHBondContact CA-OE2 3.43Å; S109-E112 PolarHBondContact O-N 3.42Å; S109-H113 WeakPolarHBondContact O-CB 3.29Å; S109-H113 PolarHBondContact O-N 2.82Å; S109-E168 VanDerWaalsContact CB-OE1 3.25Å; S109-E168 WeakPolarHBondContact CB-OE1 3.36Å
110	G	98.5	Very high	98.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-36.5	174	0	0	0	0	0	113.8	S106 R107 C108 F114	S106-G110 PolarHBondContact O-N 3.43Å; R107-G110 PolarHBondContact O-N 3.32Å; C108-G110 VanDerWaalsContact C-N 3.33Å; C108-G110 PolarHBondContact O-N 2.9Å; G110-F114 WeakPolarHBondContact O-CD2 3.24Å
111	V	98.9	Very high	98.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.5	-48	172.4	169.1	0	0	0	0	111	R107 C108 S109 H113 F114 I115 I129 V131 Y161 W164 W359	R107-V111 PolarHBondContact O-N 2.79Å; R107-V111 VanDerWaalsContact O-N 3.09Å; C108-V111 PolarHBondContact O-N 3.43Å; C108-V111 VanDerWaalsContact O-N 3.12Å; S109-V111 PolarHBondContact O-N 3.13Å; V111-H113 VanDerWaalsContact C-N 3.25Å; V111-H113 PolarHBondContact O-N 2.9Å; V111-F114 PolarHBondContact O-N 3.1Å; V111-I115 HydrophobicContact CG1-CD1 3.66Å; V111-I115 HydrophobicContact CG1-CG1 4.32Å; V111-I115 PolarHBondContact O-N 3.35Å; V111-I129 HydrophobicContact CG1-CD1 3.73Å; V111-I129 HydrophobicContact CG1-CG2 4.34Å; V111-I129 HydrophobicContact CG2-CG2 4.4Å; V111-V131 HydrophobicContact CG2-CG1 4.29Å; V111-Y161 HydrophobicContact CG2-CE2 3.76Å; V111-W164 HydrophobicContact CG2-CB 4.31Å; V111-W359 HydrophobicContact CG1-CH2 3.89Å; V111-W359 HydrophobicContact CG1-CZ2 4.1Å; V111-W359 HydrophobicContact CG2-CZ2 4.34Å
112	E	98.8	Very high	98.3	Very high	15 Å²	15	38.6 Å²	38.6	7%	0.07	21%	0.208	C	C	.	.	H	α-helix	trans	-58.7	-36.9	-178.6	-71.2	157.4	-177.2	0	0	111.7	Y89 L96 R98 C108 S109 F114 I115 L116 I383	Y89-E112 HydrophobicContact CE1-CG 3.81Å; Y89-E112 PolarHBondContact OH-OE1 3.43Å; L96-E112 HydrophobicContact CD2-CB 4.45Å; L96-E112 HydrophobicContact CD2-CG 4.19Å; R98-E112 WeakPolarHBondContact CD-OE1 3.36Å; R98-E112 IonicContact CZ-OE1 3.6Å; R98-E112 IonicContact NE-OE1 3.83Å; R98-E112 IonicContact NH1-OE1 2.64Å; R98-E112 PolarHBondContact NH1-OE1 3.24Å; C108-E112 WeakPolarHBondContact O-CB 3.29Å; C108-E112 VanDerWaalsContact O-CD 3.29Å; C108-E112 WeakPolarHBondContact O-CG 3.18Å; C108-E112 PolarHBondContact O-N 2.99Å; S109-E112 WeakPolarHBondContact CA-OE2 3.43Å; S109-E112 PolarHBondContact O-N 3.42Å; E112-F114 PolarHBondContact O-N 2.91Å; E112-I115 PolarHBondContact O-N 3.33Å; E112-L116 VanDerWaalsContact O-CB 3.29Å; E112-L116 WeakPolarHBondContact O-CB 3.41Å; E112-L116 WeakPolarHBondContact O-CD1 3.49Å; E112-L116 WeakPolarHBondContact O-CG 3.29Å; E112-L116 PolarHBondContact O-N 3Å; E112-I383 HydrophobicContact CB-CG2 4.17Å; E112-I383 HydrophobicContact CG-CG2 3.96Å
113	H	98.6	Very high	98.3	Very high	44 Å²	44	40.3 Å²	40.3	20%	0.204	22%	0.22	C	C	.	.	H	α-helix	trans	-51	-56.1	174.9	172.5	77	0	0	0	112.1	S109 V111 L116 E117 W167	S109-H113 WeakPolarHBondContact O-CB 3.29Å; S109-H113 PolarHBondContact O-N 2.82Å; V111-H113 VanDerWaalsContact C-N 3.25Å; V111-H113 PolarHBondContact O-N 2.9Å; H113-L116 PolarHBondContact O-N 3.38Å; H113-E117 IonicContact NE2-OE2 3.42Å; H113-E117 PolarHBondContact O-N 3.05Å; H113-W167 HydrophobicContact CB-CB 4.42Å; H113-W167 HydrophobicContact CB-CG 3.98Å; H113-W167 AromaticContact CD2-CD1 3.96Å; H113-W167 AromaticContact CD2-CD2 3.56Å; H113-W167 AromaticContact CD2-CE3 3.93Å; H113-W167 AromaticContact CD2-CG 3.49Å; H113-W167 VanDerWaalsContact CD2-CG 3.49Å; H113-W167 AromaticContact CE1-CD2 3.54Å; H113-W167 AromaticContact CE1-CE2 3.44Å; H113-W167 VanDerWaalsContact CE1-CE2 3.44Å; H113-W167 AromaticContact CE1-CE3 3.71Å; H113-W167 AromaticContact CE1-CH2 3.69Å; H113-W167 AromaticContact CE1-CZ2 3.54Å; H113-W167 AromaticContact CE1-CZ3 3.78Å; H113-W167 AromaticContact CG-CD1 3.53Å; H113-W167 AromaticContact CG-CD2 3.74Å; H113-W167 AromaticContact CG-CE2 3.83Å; H113-W167 AromaticContact CG-CG 3.56Å; H113-W167 AromaticContact CG-NE1 3.71Å; H113-W167 AromaticContact ND1-CD1 3.87Å; H113-W167 AromaticContact ND1-CD2 3.73Å; H113-W167 AromaticContact ND1-CE2 3.42Å; H113-W167 AromaticContact ND1-CZ2 3.8Å; H113-W167 AromaticContact ND1-NE1 3.54Å; H113-W167 AromaticContact NE2-CD2 3.4Å; H113-W167 AromaticContact NE2-CE2 3.83Å; H113-W167 AromaticContact NE2-CE3 3.37Å; H113-W167 AromaticContact NE2-CG 3.89Å; H113-W167 AromaticContact NE2-CZ3 3.74Å
114	F	98.8	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.3	-39.8	-177.7	-64.7	-71	0	0	0	112.7	G110 V111 E112 L116 E117 V118 F166 W167 M352 I355 W359	G110-F114 WeakPolarHBondContact O-CD2 3.24Å; V111-F114 PolarHBondContact O-N 3.1Å; E112-F114 PolarHBondContact O-N 2.91Å; F114-L116 VanDerWaalsContact C-N 3.34Å; F114-L116 PolarHBondContact O-N 3.04Å; F114-E117 PolarHBondContact O-N 3.48Å; F114-V118 PolarHBondContact O-N 3.15Å; F114-F166 HydrophobicContact CE2-CB 3.91Å; F114-F166 HydrophobicContact CZ-CB 3.59Å; F114-W167 HydrophobicContact CE2-CB 3.86Å; F114-W167 HydrophobicContact CZ-CB 4Å; F114-M352 HydrophobicContact CE1-CE 3.44Å; F114-M352 VanDerWaalsContact CE1-CE 3.44Å; F114-M352 HydrophobicContact CE1-SD 4.02Å; F114-M352 HydrophobicContact CZ-CE 3.44Å; F114-M352 VanDerWaalsContact CZ-CE 3.44Å; F114-M352 HydrophobicContact CZ-SD 4.11Å; F114-I355 HydrophobicContact CD1-CG2 3.91Å; F114-I355 HydrophobicContact CD2-CG2 4.45Å; F114-I355 HydrophobicContact CE1-CB 4.06Å; F114-I355 HydrophobicContact CE1-CG2 3.47Å; F114-I355 VanDerWaalsContact CE1-CG2 3.47Å; F114-I355 HydrophobicContact CE2-CG2 4.1Å; F114-I355 HydrophobicContact CG-CG2 4.37Å; F114-I355 HydrophobicContact CZ-CB 4.47Å; F114-I355 HydrophobicContact CZ-CG2 3.59Å; F114-W359 HydrophobicContact CB-CB 4.5Å; F114-W359 VanDerWaalsContact CB-CD1 3.41Å; F114-W359 HydrophobicContact CB-CG 3.94Å; F114-W359 AromaticContact CD2-NE1 3.72Å; F114-W359 AromaticContact CG-CD1 3.69Å; F114-W359 AromaticContact CG-NE1 3.78Å
115	I	98.8	Very high	98.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-47	178.2	-63.6	177.3	0	0	0	109.9	I91 L96 V111 E112 E117 V118 I119 M127 I129 W359 L363	I91-I115 HydrophobicContact CD1-CG2 3.95Å; L96-I115 HydrophobicContact CD1-CG2 3.95Å; L96-I115 HydrophobicContact CD2-CB 4.27Å; L96-I115 HydrophobicContact CD2-CG2 3.96Å; V111-I115 HydrophobicContact CG1-CD1 3.66Å; V111-I115 HydrophobicContact CG1-CG1 4.32Å; V111-I115 PolarHBondContact O-N 3.35Å; E112-I115 PolarHBondContact O-N 3.33Å; I115-E117 VanDerWaalsContact C-N 3.27Å; I115-E117 PolarHBondContact O-N 3.3Å; I115-V118 PolarHBondContact O-N 3.36Å; I115-I119 WeakPolarHBondContact O-CA 3.35Å; I115-I119 VanDerWaalsContact O-CB 3.3Å; I115-I119 WeakPolarHBondContact O-CB 3.4Å; I115-I119 PolarHBondContact O-N 3.29Å; I115-M127 HydrophobicContact CD1-CE 3.79Å; I115-I129 HydrophobicContact CD1-CD1 3.89Å; I115-W359 HydrophobicContact CG1-CE3 4.46Å; I115-W359 HydrophobicContact CG1-CZ3 4.5Å; I115-L363 HydrophobicContact CG1-CD1 4.1Å
116	L	98.7	Very high	98.7	Very high	38 Å²	38	31.3 Å²	31.3	20%	0.199	17%	0.172	C	C	.	.	H	α-helix	trans	-64.3	-29.6	-179.4	-71.2	170.9	0	0	0	113	L96 E112 H113 F114 V118 I119 I383 P385	L96-L116 HydrophobicContact CB-CD2 4Å; L96-L116 HydrophobicContact CD2-CD2 4.23Å; L96-L116 HydrophobicContact CD2-CG 4.24Å; E112-L116 VanDerWaalsContact O-CB 3.29Å; E112-L116 WeakPolarHBondContact O-CB 3.41Å; E112-L116 WeakPolarHBondContact O-CD1 3.49Å; E112-L116 WeakPolarHBondContact O-CG 3.29Å; E112-L116 PolarHBondContact O-N 3Å; H113-L116 PolarHBondContact O-N 3.38Å; F114-L116 VanDerWaalsContact C-N 3.34Å; F114-L116 PolarHBondContact O-N 3.04Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 3.28Å; L116-I119 WeakPolarHBondContact O-CG2 3.09Å; L116-I383 HydrophobicContact CD1-CG2 4.17Å; L116-P385 HydrophobicContact CD1-CG 4.27Å
117	E	98.4	Very high	98.7	Very high	91 Å²	91	28.4 Å²	28.4	43%	0.425	15%	0.151	S	C	.	.	H	α-helix	trans	-66.2	-32.8	177.1	-168.9	169.7	128.4	0	0	112.7	H113 F114 I115 T356	H113-E117 IonicContact NE2-OE2 3.42Å; H113-E117 PolarHBondContact O-N 3.05Å; F114-E117 PolarHBondContact O-N 3.48Å; I115-E117 VanDerWaalsContact C-N 3.27Å; I115-E117 PolarHBondContact O-N 3.3Å; E117-T356 HydrophobicContact CG-CG2 4.07Å; E117-T356 WeakPolarHBondContact OE1-CG2 3.32Å; E117-T356 PolarHBondContact OE1-OG1 3.42Å
118	V	98.6	Very high	98.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-107.9	-7.5	-175.8	-52.5	0	0	0	0	113.5	F114 I115 L116 G120 R121 L122 T356 E360	F114-V118 PolarHBondContact O-N 3.15Å; I115-V118 PolarHBondContact O-N 3.36Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 3.28Å; V118-G120 PolarHBondContact O-N 2.97Å; V118-R121 PolarHBondContact O-N 3.45Å; V118-L122 HydrophobicContact CG2-CD1 3.84Å; V118-L122 HydrophobicContact CG2-CG 4.12Å; V118-T356 HydrophobicContact CG1-CG2 3.28Å; V118-E360 HydrophobicContact CB-CB 4.02Å; V118-E360 HydrophobicContact CB-CG 4.27Å; V118-E360 HydrophobicContact CG1-CB 4.01Å; V118-E360 HydrophobicContact CG2-CB 4.24Å
119	I	98.6	Very high	98.7	Very high	16 Å²	16	26.9 Å²	26.9	8%	0.082	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-58.3	-26.6	-169.4	-159.7	165.6	0	0	0	114.6	I91 N94 L96 I115 L116 R121 L122	I91-I119 HydrophobicContact CD1-CG1 4.43Å; I91-I119 HydrophobicContact CG1-CD1 4.25Å; I91-I119 HydrophobicContact CG2-CD1 4.13Å; I91-I119 HydrophobicContact CG2-CG1 3.92Å; N94-I119 WeakPolarHBondContact CB-O 3.48Å; N94-I119 PolarHBondContact ND2-O 2.95Å; L96-I119 HydrophobicContact CB-CD1 3.63Å; L96-I119 VanDerWaalsContact N-CD1 3.28Å; I115-I119 WeakPolarHBondContact O-CA 3.35Å; I115-I119 VanDerWaalsContact O-CB 3.3Å; I115-I119 WeakPolarHBondContact O-CB 3.4Å; I115-I119 PolarHBondContact O-N 3.29Å; L116-I119 WeakPolarHBondContact O-CG2 3.09Å; I119-R121 PolarHBondContact O-N 3Å; I119-L122 PolarHBondContact O-N 3.39Å
120	G	98.4	Very high	98.7	Very high	57 Å²	57	26 Å²	26	59%	0.588	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-64.2	-17.8	175.9	0	0	0	0	0	114.1	N94 V118	N94-G120 PolarHBondContact ND2-O 2.72Å; V118-G120 PolarHBondContact O-N 2.97Å
121	R	98.6	Very high	98.8	Very high	139 Å²	139	26.2 Å²	26.2	53%	0.525	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-109.6	-5.5	178.8	-63.2	-179.7	-64.6	-77.3	0.2	113.1	V118 I119 E360	V118-R121 PolarHBondContact O-N 3.45Å; I119-R121 PolarHBondContact O-N 3Å; R121-E360 VanDerWaalsContact CD-OE1 3.31Å; R121-E360 WeakPolarHBondContact CD-OE1 3.06Å; R121-E360 IonicContact CZ-OE1 3Å; R121-E360 IonicContact CZ-OE2 3.93Å; R121-E360 VanDerWaalsContact CZ-OE2 3.31Å; R121-E360 IonicContact NE-OE1 2.69Å; R121-E360 PolarHBondContact NE-OE1 3.32Å; R121-E360 IonicContact NE-OE2 3.32Å; R121-E360 PolarHBondContact NE-OE2 3.19Å; R121-E360 IonicContact NH2-OE2 3.2Å; R121-E360 PolarHBondContact NH2-OE2 3.07Å
122	L	98.8	Very high	98.7	Very high	3 Å²	3	31 Å²	31	2%	0.016	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-86.6	139	-179.1	-67.1	-176.7	0	0	0	112.1	I91 N94 V118 I119 M125 L363 S364	I91-L122 HydrophobicContact CD1-CB 4.45Å; I91-L122 HydrophobicContact CD1-CD1 3.66Å; N94-L122 PolarHBondContact ND2-O 3.37Å; V118-L122 HydrophobicContact CG2-CD1 3.84Å; V118-L122 HydrophobicContact CG2-CG 4.12Å; I119-L122 PolarHBondContact O-N 3.39Å; L122-M125 HydrophobicContact CB-CE 4.14Å; L122-M125 HydrophobicContact CD2-CE 4.4Å; L122-L363 HydrophobicContact CD1-CB 4.1Å; L122-L363 HydrophobicContact CD1-CD1 3.68Å; L122-L363 HydrophobicContact CD2-CB 3.88Å; L122-S364 WeakPolarHBondContact CD2-OG 3.17Å
123	P	98.7	Very high	98.7	Very high	56 Å²	56	33.1 Å²	33.1	36%	0.364	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-74.1	172.5	170.9	32.1	-34.9	0	0	0	111.9	M125 S367	P123-M125 HydrophobicContact CG-CE 3.9Å; P123-M125 VanDerWaalsContact O-CE 3.29Å; P123-M125 WeakPolarHBondContact O-CE 3.46Å; P123-M125 PolarHBondContact O-N 3.06Å; P123-S367 WeakPolarHBondContact CG-OG 3.48Å
124	D	98.9	Very high	98.7	Very high	79 Å²	79	35.7 Å²	35.7	42%	0.422	18%	0.179	S	C	.	.	S	Bend	trans	-65.4	130.1	175.2	-73.3	6.5	0	0	0	110.8	I91 I92 K93	I91-D124 CarbonylContact O-C 3.55Å; I91-D124 WeakPolarHBondContact O-CA 3.31Å; I92-D124 WeakPolarHBondContact CA-OD1 3.39Å; K93-D124 PolarHBondContact N-OD1 3.41Å
125	M	98.9	Very high	98.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	169.3	-179.8	69.6	-174.3	83.7	0	0	112	Q90 I91 L122 P123 L363 Y366 L370	Q90-M125 CarbonylContact C-O 3.59Å; Q90-M125 WeakPolarHBondContact CA-O 3.4Å; I91-M125 HydrophobicContact CB-CG 4.17Å; I91-M125 HydrophobicContact CD1-CG 4.15Å; I91-M125 HydrophobicContact CD1-SD 4.36Å; I91-M125 HydrophobicContact CG1-CG 4.41Å; I91-M125 PolarHBondContact N-O 3.43Å; I91-M125 PolarHBondContact O-N 3.05Å; L122-M125 HydrophobicContact CB-CE 4.14Å; L122-M125 HydrophobicContact CD2-CE 4.4Å; P123-M125 HydrophobicContact CG-CE 3.9Å; P123-M125 VanDerWaalsContact O-CE 3.29Å; P123-M125 WeakPolarHBondContact O-CE 3.46Å; P123-M125 PolarHBondContact O-N 3.06Å; M125-L363 HydrophobicContact CE-CB 4.1Å; M125-L363 WeakPolarHBondContact CE-O 3.39Å; M125-L363 HydrophobicContact SD-CB 3.9Å; M125-L363 HydrophobicContact SD-CD2 4.2Å; M125-Y366 HydrophobicContact SD-CD1 4.27Å; M125-L370 HydrophobicContact CB-CD1 3.64Å
126	E	98.9	Very high	98.7	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	149	166.7	64.8	-173.4	129.7	0	0	110.5	M77 H88 Y89 Q90 Y366 Y372 V374	M77-E126 HydrophobicContact CE-CG 4.32Å; M77-E126 VanDerWaalsContact CE-O 3.29Å; M77-E126 WeakPolarHBondContact CE-O 3.35Å; M77-E126 HydrophobicContact CG-CG 3.88Å; M77-E126 HydrophobicContact SD-CG 4.42Å; H88-E126 IonicContact CE1-OE2 2.75Å; H88-E126 PolarHBondContact CE1-OE2 2.75Å; H88-E126 IonicContact NE2-OE2 3.71Å; H88-E126 PolarHBondContact NE2-OE2 2.84Å; Y89-E126 VanDerWaalsContact O-CA 3.3Å; Y89-E126 WeakPolarHBondContact O-CA 3.09Å; Y89-E126 WeakPolarHBondContact O-CB 3.23Å; Q90-E126 HydrophobicContact CB-CB 4.24Å; Q90-E126 HydrophobicContact CG-CB 3.81Å; Q90-E126 PolarHBondContact NE2-OE2 2.97Å; E126-Y366 WeakPolarHBondContact O-CE1 3.36Å; E126-Y366 PolarHBondContact O-OH 2.85Å; E126-Y372 VanDerWaalsContact CG-OH 3.32Å; E126-Y372 WeakPolarHBondContact CG-OH 3.45Å; E126-Y372 WeakPolarHBondContact OE1-CE2 3.42Å; E126-Y372 PolarHBondContact OE1-OH 3.4Å; E126-V374 HydrophobicContact CB-CG1 3.84Å; E126-V374 HydrophobicContact CB-CG2 4.21Å; E126-V374 HydrophobicContact CG-CG1 3.99Å; E126-V374 HydrophobicContact CG-CG2 3.86Å
127	M	98.9	Very high	98.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	155.4	-173.3	66.3	-69.2	-166	0	0	111.8	H88 Y89 I91 I115 I129 F148 Y366	H88-M127 PolarHBondContact CD2-O 3.42Å; Y89-M127 HydrophobicContact CG-CE 4.26Å; Y89-M127 PolarHBondContact N-O 3.31Å; Y89-M127 PolarHBondContact O-N 3.38Å; I91-M127 HydrophobicContact CD1-CE 4.32Å; I115-M127 HydrophobicContact CD1-CE 3.79Å; M127-I129 HydrophobicContact CE-CD1 3.93Å; M127-I129 HydrophobicContact CG-CD1 4.07Å; M127-I129 HydrophobicContact CG-CG1 3.87Å; M127-F148 HydrophobicContact CB-CD2 4.06Å; M127-F148 HydrophobicContact CB-CE2 3.73Å; M127-F148 HydrophobicContact CG-CE2 4.44Å; M127-Y366 HydrophobicContact CB-CE1 4Å
128	V	98.9	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.3	173	178.7	0	0	0	0	109.1	M77 V80 V81 G86 H88 F148	M77-V128 HydrophobicContact SD-CG2 4.06Å; V80-V128 HydrophobicContact CB-CG2 4.17Å; V80-V128 HydrophobicContact CG1-CB 3.78Å; V80-V128 HydrophobicContact CG1-CG1 4.04Å; V80-V128 HydrophobicContact CG1-CG2 3.69Å; V81-V128 HydrophobicContact CG2-CG2 3.66Å; G86-V128 VanDerWaalsContact CA-CG1 3.48Å; H88-V128 HydrophobicContact CB-CG2 4.44Å; V128-F148 PolarHBondContact O-N 3.24Å
129	I	98.9	Very high	98.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	109.4	-179.2	-54.8	-179.1	0	0	0	109.6	T87 Y89 V111 I115 M127 V131 F148 Y161 W359	T87-I129 PolarHBondContact N-O 3.48Å; T87-I129 PolarHBondContact O-N 3.47Å; Y89-I129 HydrophobicContact CD2-CB 4.13Å; Y89-I129 HydrophobicContact CD2-CD1 3.89Å; Y89-I129 HydrophobicContact CD2-CG1 4Å; Y89-I129 HydrophobicContact CE2-CB 4.07Å; Y89-I129 HydrophobicContact CE2-CD1 4.17Å; Y89-I129 HydrophobicContact CE2-CG1 4.36Å; V111-I129 HydrophobicContact CG1-CD1 3.73Å; V111-I129 HydrophobicContact CG1-CG2 4.34Å; V111-I129 HydrophobicContact CG2-CG2 4.4Å; I115-I129 HydrophobicContact CD1-CD1 3.89Å; M127-I129 HydrophobicContact CE-CD1 3.93Å; M127-I129 HydrophobicContact CG-CD1 4.07Å; M127-I129 HydrophobicContact CG-CG1 3.87Å; I129-V131 HydrophobicContact CG2-CG1 4.32Å; I129-V131 PolarHBondContact O-N 3.25Å; I129-F148 HydrophobicContact CB-CB 4.46Å; I129-F148 HydrophobicContact CG1-CB 4.18Å; I129-F148 HydrophobicContact CG2-CB 4.39Å; I129-Y161 HydrophobicContact CG2-CD1 4.35Å; I129-Y161 HydrophobicContact CG2-CE1 3.67Å; I129-Y161 HydrophobicContact CG2-CE2 4.44Å; I129-W359 HydrophobicContact CD1-CH2 4.31Å; I129-W359 HydrophobicContact CD1-CZ3 4.43Å
130	N	98.9	Very high	98.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	116.8	171.3	173.5	35.1	0	0	0	110.3	L85 R132 Y134 Q136 V147 F148 S149 Y161	L85-N130 WeakPolarHBondContact O-CB 3.5Å; N130-R132 WeakPolarHBondContact OD1-CB 3.48Å; N130-R132 VanDerWaalsContact OD1-CG 3.29Å; N130-R132 WeakPolarHBondContact OD1-CG 3.42Å; N130-R132 PolarHBondContact OD1-N 2.71Å; N130-Y134 PolarHBondContact ND2-O 2.93Å; N130-Q136 HydrophobicContact CB-CG 4.22Å; N130-V147 HydrophobicContact CB-CG1 3.8Å; N130-F148 WeakPolarHBondContact CA-O 3.28Å; N130-F148 VanDerWaalsContact CB-O 3.31Å; N130-F148 WeakPolarHBondContact CB-O 3.4Å; N130-F148 PolarHBondContact N-O 2.9Å; N130-S149 WeakPolarHBondContact CB-OG 3.45Å; N130-S149 PolarHBondContact ND2-OG 2.69Å; N130-Y161 PolarHBondContact O-OH 3.17Å
131	V	98.8	Very high	98.6	Very high	4 Å²	4	44 Å²	44	2%	0.024	19%	0.194	C	C	.	.			trans	-101.3	11.5	174.7	-63.5	0	0	0	0	113.2	F104 R107 V111 I129 W164	F104-V131 HydrophobicContact CB-CG2 4.36Å; F104-V131 HydrophobicContact CD2-CG2 4.39Å; R107-V131 HydrophobicContact CB-CB 3.91Å; R107-V131 HydrophobicContact CB-CG1 4.29Å; R107-V131 HydrophobicContact CB-CG2 4.49Å; R107-V131 WeakPolarHBondContact CD-O 3.2Å; R107-V131 PolarHBondContact NH1-O 3.13Å; V111-V131 HydrophobicContact CG2-CG1 4.29Å; I129-V131 HydrophobicContact CG2-CG1 4.32Å; I129-V131 PolarHBondContact O-N 3.25Å; V131-W164 HydrophobicContact CB-CE3 4.21Å; V131-W164 HydrophobicContact CB-CZ3 4.11Å; V131-W164 HydrophobicContact CG1-CE3 4.25Å; V131-W164 HydrophobicContact CG1-CZ3 4.47Å; V131-W164 WeakPolarHBondContact O-CH2 3.39Å
132	R	98.6	Very high	98.4	Very high	100 Å²	100	44.7 Å²	44.7	38%	0.377	20%	0.203	S	C	.	.	S	Bend	trans	-80.6	169.9	170.5	-55.7	172.5	177.1	-83.4	-1.8	110.1	M103 F104 N130	M103-R132 VanDerWaalsContact SD-CZ 3.54Å; M103-R132 PolarHBondContact SD-NH1 3.32Å; M103-R132 PolarHBondContact SD-NH2 3.44Å; M103-R132 VanDerWaalsContact SD-NH2 3.44Å; F104-R132 HydrophobicContact CE2-CG 4.26Å; N130-R132 WeakPolarHBondContact OD1-CB 3.48Å; N130-R132 VanDerWaalsContact OD1-CG 3.29Å; N130-R132 WeakPolarHBondContact OD1-CG 3.42Å; N130-R132 PolarHBondContact OD1-N 2.71Å
133	D	98.3	Very high	98.3	Very high	60 Å²	60	48.7 Å²	48.7	32%	0.321	23%	0.229	S	C	.	.	S	Bend	trans	-73.2	-30.9	-178.7	-70.4	9.1	0	0	0	113.4	R107 F150 V274 A275	R107-D133 IonicContact CZ-OD1 3.31Å; R107-D133 VanDerWaalsContact CZ-OD1 3.23Å; R107-D133 IonicContact NH1-OD1 3.23Å; R107-D133 PolarHBondContact NH1-OD1 3.04Å; R107-D133 IonicContact NH2-OD1 3.87Å; R107-D133 PolarHBondContact NH2-OD1 2.72Å; D133-F150 VanDerWaalsContact O-CE1 3.31Å; D133-F150 WeakPolarHBondContact O-CE1 3.43Å; D133-V274 HydrophobicContact CB-CB 4.03Å; D133-V274 HydrophobicContact CB-CG1 3.65Å; D133-A275 WeakPolarHBondContact O-CB 3.24Å
134	Y	98.7	Very high	98.3	Very high	97 Å²	97	46.6 Å²	46.6	38%	0.38	22%	0.217	S	C	.	.	S	Bend	trans	-107.4	142.5	-169.6	-148.3	-100.4	0	0	0	111.8	N130 Q136 Y156 V274 W297	N130-Y134 PolarHBondContact ND2-O 2.93Å; Y134-Q136 PolarHBondContact O-NE2 2.94Å; Y134-Y156 VanDerWaalsContact CE1-OH 3.31Å; Y134-Y156 WeakPolarHBondContact CE1-OH 3.48Å; Y134-V274 HydrophobicContact CD2-CG1 3.92Å; Y134-W297 AromaticContact CD2-CH2 3.7Å; Y134-W297 HydrophobicContact CD2-CH2 3.7Å; Y134-W297 HydrophobicContact CD2-CZ2 4.35Å; Y134-W297 HydrophobicContact CE1-CH2 4.36Å; Y134-W297 AromaticContact CE2-CH2 3.22Å; Y134-W297 HydrophobicContact CE2-CH2 3.22Å; Y134-W297 AromaticContact CE2-CZ2 3.5Å; Y134-W297 HydrophobicContact CE2-CZ2 3.5Å; Y134-W297 VanDerWaalsContact CE2-CZ2 3.5Å; Y134-W297 HydrophobicContact CE2-CZ3 4.38Å; Y134-W297 HydrophobicContact CG-CH2 4.45Å; Y134-W297 AromaticContact CZ-CH2 3.59Å; Y134-W297 AromaticContact CZ-CZ2 3.84Å
135	P	98.8	Very high	98.3	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.032	20%	0.199	C	C	.	.			trans	-64.8	164	175.9	29	-37.9	0	0	0	112.4	K152 Y156 D158 W297	P135-K152 HydrophobicContact CB-CB 4.24Å; P135-K152 HydrophobicContact CG-CB 4.47Å; P135-Y156 HydrophobicContact CB-CD1 3.56Å; P135-Y156 HydrophobicContact CB-CD2 4.43Å; P135-Y156 HydrophobicContact CB-CE1 4.02Å; P135-Y156 HydrophobicContact CB-CG 3.81Å; P135-Y156 HydrophobicContact CG-CD1 3.57Å; P135-Y156 HydrophobicContact CG-CD2 3.84Å; P135-Y156 HydrophobicContact CG-CE1 3.61Å; P135-Y156 HydrophobicContact CG-CE2 3.89Å; P135-Y156 HydrophobicContact CG-CG 3.71Å; P135-D158 HydrophobicContact CB-CB 4.27Å; P135-D158 WeakPolarHBondContact CB-OD2 3.39Å; P135-W297 HydrophobicContact CG-CH2 4.13Å; P135-W297 HydrophobicContact CG-CZ3 4.07Å
136	Q	98.8	Very high	98.3	Very high	50 Å²	50	43.3 Å²	43.3	23%	0.234	20%	0.199	C	C	.	.			trans	-123.1	-19.7	-166.2	-59.6	-63.2	-55.1	0	0	114.6	L85 N130 Y134 P138 V147 D158	L85-Q136 HydrophobicContact CB-CB 4.23Å; L85-Q136 HydrophobicContact CB-CG 4.4Å; L85-Q136 WeakPolarHBondContact O-CG 3.26Å; N130-Q136 HydrophobicContact CB-CG 4.22Å; Y134-Q136 PolarHBondContact O-NE2 2.94Å; Q136-P138 WeakPolarHBondContact O-CD 3.31Å; Q136-V147 HydrophobicContact CB-CG1 4.2Å; Q136-V147 HydrophobicContact CG-CG1 4.3Å; Q136-D158 PolarHBondContact N-OD1 2.88Å; Q136-D158 PolarHBondContact N-OD2 3.04Å
137	V	98.8	Very high	98.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.197	C	C	.	.			trans	-118.2	80.5	-170.6	-168.8	0	0	0	0	109	M141 I145 V147 Y156 H157 D158	V137-M141 HydrophobicContact CG1-SD 4.24Å; V137-I145 HydrophobicContact CG1-CG1 3.96Å; V137-I145 HydrophobicContact CG2-CG1 4.03Å; V137-V147 HydrophobicContact CG2-CB 3.68Å; V137-V147 HydrophobicContact CG2-CG2 3.53Å; V137-Y156 CarbonylContact O-C 3.56Å; V137-Y156 VanDerWaalsContact O-CA 3.28Å; V137-Y156 WeakPolarHBondContact O-CA 3.49Å; V137-H157 HydrophobicContact CB-CB 4.42Å; V137-H157 HydrophobicContact CG1-CB 3.94Å; V137-H157 PolarHBondContact O-N 2.56Å; V137-D158 WeakPolarHBondContact CA-OD2 3.45Å; V137-D158 PolarHBondContact N-OD2 3.12Å
138	P	98.6	Very high	98.3	Very high	17 Å²	17	42.9 Å²	42.9	11%	0.11	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-64.2	149.8	176.1	29.1	-36.6	0	0	0	111.2	Q136 W140 M141 E155 Y156	Q136-P138 WeakPolarHBondContact O-CD 3.31Å; P138-W140 HydrophobicContact CB-CD2 4.42Å; P138-W140 HydrophobicContact CB-CG 4.34Å; P138-W140 HydrophobicContact CB-CZ2 4.34Å; P138-W140 VanDerWaalsContact CB-NE1 3.29Å; P138-W140 HydrophobicContact CG-CD2 4.05Å; P138-W140 HydrophobicContact CG-CG 4.47Å; P138-W140 HydrophobicContact CG-CH2 4.24Å; P138-W140 HydrophobicContact CG-CZ2 3.44Å; P138-W140 VanDerWaalsContact CG-CZ2 3.44Å; P138-W140 PolarHBondContact O-N 3.14Å; P138-W140 VanDerWaalsContact O-N 3.13Å; P138-M141 HydrophobicContact CG-CE 4.31Å; P138-M141 VanDerWaalsContact O-CB 3.28Å; P138-M141 WeakPolarHBondContact O-CB 3.11Å; P138-M141 PolarHBondContact O-N 3.01Å; P138-E155 WeakPolarHBondContact CA-O 3.09Å; P138-Y156 HydrophobicContact CB-CD1 4.19Å; P138-Y156 HydrophobicContact CB-CE1 4.04Å
139	K	97.7	Very high	98.3	Very high	82 Å²	82	43 Å²	43	36%	0.357	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.2	-174.9	-85.6	-164	167.3	166.5	0	115.2	M141 S154 E155	K139-M141 PolarHBondContact O-N 3.33Å; K139-S154 WeakPolarHBondContact CD-O 3.1Å; K139-S154 WeakPolarHBondContact CE-O 3.33Å; K139-S154 PolarHBondContact NZ-O 3.06Å; K139-E155 PolarHBondContact N-O 2.95Å
140	W	97.9	Very high	98.3	Very high	202 Å²	202	43.2 Å²	43.2	77%	0.765	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.1	177	58.9	-104.2	0	0	0	113.7	P138 E142	P138-W140 HydrophobicContact CB-CD2 4.42Å; P138-W140 HydrophobicContact CB-CG 4.34Å; P138-W140 HydrophobicContact CB-CZ2 4.34Å; P138-W140 VanDerWaalsContact CB-NE1 3.29Å; P138-W140 HydrophobicContact CG-CD2 4.05Å; P138-W140 HydrophobicContact CG-CG 4.47Å; P138-W140 HydrophobicContact CG-CH2 4.24Å; P138-W140 HydrophobicContact CG-CZ2 3.44Å; P138-W140 VanDerWaalsContact CG-CZ2 3.44Å; P138-W140 PolarHBondContact O-N 3.14Å; P138-W140 VanDerWaalsContact O-N 3.13Å; W140-E142 PolarHBondContact O-N 3.05Å
141	M	97.3	Very high	98.3	Very high	22 Å²	22	43.2 Å²	43.2	11%	0.108	20%	0.199	C	C	.	.	S	Bend	trans	-78.7	115.6	178.9	-173.8	177.3	-60.8	0	0	111	R83 V137 P138 K139 P143 A144 I145	R83-M141 PolarHBondContact NH1-SD 3.38Å; V137-M141 HydrophobicContact CG1-SD 4.24Å; P138-M141 HydrophobicContact CG-CE 4.31Å; P138-M141 VanDerWaalsContact O-CB 3.28Å; P138-M141 WeakPolarHBondContact O-CB 3.11Å; P138-M141 PolarHBondContact O-N 3.01Å; K139-M141 PolarHBondContact O-N 3.33Å; M141-P143 CarbonylContact O-C 3.5Å; M141-A144 PolarHBondContact O-N 3.24Å; M141-I145 HydrophobicContact SD-CD1 3.85Å; M141-I145 HydrophobicContact SD-CG1 3.97Å
142	E	94.8	Very high	98.3	Very high	152 Å²	152	43.9 Å²	43.9	71%	0.71	20%	0.201	S	C	*	.	S	Bend	trans	-119.4	129.1	-179.9	-70.1	-66.2	166.7	0	0	111.4	W140	W140-E142 PolarHBondContact O-N 3.05Å
143	P	96.5	Very high	98.3	Very high	87 Å²	87	39.6 Å²	39.6	57%	0.565	19%	0.186	S	C	*	.	S	Bend	cis	-70.9	157.3	-6.9	32.3	-35.8	0	0	0	111.8	M141	M141-P143 CarbonylContact O-C 3.5Å
144	A	98.4	Very high	98.3	Very high	13 Å²	13	40.4 Å²	40.4	11%	0.107	20%	0.197	C	C	.	.			trans	-57.2	141.8	168.8	0	0	0	0	0	110.9	P67 F68 M76 M141 H157	P67-A144 HydrophobicContact CB-CB 4Å; F68-A144 HydrophobicContact CE1-CB 3.98Å; F68-A144 HydrophobicContact CZ-CB 4.44Å; M76-A144 WeakPolarHBondContact CE-O 3.33Å; M141-A144 PolarHBondContact O-N 3.24Å; A144-H157 HydrophobicContact CB-CB 4.46Å
145	I	98.8	Very high	98.3	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.046	20%	0.204	C	C	.	.			trans	-126.4	142.4	177.9	58.5	171.4	0	0	0	111.2	M76 V80 R83 L85 V137 M141 V147	M76-I145 HydrophobicContact CG-CB 4.47Å; M76-I145 HydrophobicContact CG-CG2 3.9Å; V80-I145 HydrophobicContact CG2-CB 3.74Å; V80-I145 HydrophobicContact CG2-CD1 4.11Å; V80-I145 HydrophobicContact CG2-CG1 4.34Å; V80-I145 HydrophobicContact CG2-CG2 4.34Å; R83-I145 VanDerWaalsContact NH1-CD1 3.28Å; L85-I145 HydrophobicContact CD1-CD1 3.53Å; V137-I145 HydrophobicContact CG1-CG1 3.96Å; V137-I145 HydrophobicContact CG2-CG1 4.03Å; M141-I145 HydrophobicContact SD-CD1 3.85Å; M141-I145 HydrophobicContact SD-CG1 3.97Å; I145-V147 PolarHBondContact O-N 2.75Å
146	P	98.8	Very high	98.3	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.21	C	C	.	.			trans	-81.8	111.2	-172	31.1	-35.6	0	0	0	111.7	F68 I72 M77 I159 Y366	F68-P146 HydrophobicContact CD1-CB 4.26Å; F68-P146 HydrophobicContact CE1-CB 3.99Å; F68-P146 HydrophobicContact CE2-CB 4.4Å; F68-P146 HydrophobicContact CZ-CB 4.06Å; I72-P146 HydrophobicContact CD1-CB 4.01Å; I72-P146 HydrophobicContact CD1-CG 3.91Å; I72-P146 HydrophobicContact CG1-CG 4.13Å; I72-P146 HydrophobicContact CG2-CG 3.83Å; M77-P146 HydrophobicContact CE-CG 4.28Å; P146-I159 HydrophobicContact CB-CD1 4.16Å; P146-Y366 HydrophobicContact CB-CE2 3.94Å
147	V	98.9	Very high	98.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.			trans	-127.8	131.9	168.2	179.4	0	0	0	0	108.3	V80 L85 N130 Q136 V137 I145 D158 I159	V80-V147 HydrophobicContact CG1-CG2 3.55Å; L85-V147 HydrophobicContact CB-CG1 4.48Å; L85-V147 HydrophobicContact CB-CG2 3.87Å; L85-V147 HydrophobicContact CD1-CG2 3.86Å; N130-V147 HydrophobicContact CB-CG1 3.8Å; Q136-V147 HydrophobicContact CB-CG1 4.2Å; Q136-V147 HydrophobicContact CG-CG1 4.3Å; V137-V147 HydrophobicContact CG2-CB 3.68Å; V137-V147 HydrophobicContact CG2-CG2 3.53Å; I145-V147 PolarHBondContact O-N 2.75Å; V147-D158 CarbonylContact O-C 3.37Å; V147-D158 VanDerWaalsContact O-CA 3.28Å; V147-D158 WeakPolarHBondContact O-CA 3.31Å; V147-I159 PolarHBondContact O-N 3.19Å
148	F	98.9	Very high	98.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.3	175.7	-71.2	-104.6	0	0	0	109.7	M127 V128 I129 N130 I159 Y161 L362 L363 Y366	M127-F148 HydrophobicContact CB-CD2 4.06Å; M127-F148 HydrophobicContact CB-CE2 3.73Å; M127-F148 HydrophobicContact CG-CE2 4.44Å; V128-F148 PolarHBondContact O-N 3.24Å; I129-F148 HydrophobicContact CB-CB 4.46Å; I129-F148 HydrophobicContact CG1-CB 4.18Å; I129-F148 HydrophobicContact CG2-CB 4.39Å; N130-F148 WeakPolarHBondContact CA-O 3.28Å; N130-F148 VanDerWaalsContact CB-O 3.31Å; N130-F148 WeakPolarHBondContact CB-O 3.4Å; N130-F148 PolarHBondContact N-O 2.9Å; F148-I159 CarbonylContact C-O 3.5Å; F148-I159 VanDerWaalsContact CA-O 3.22Å; F148-I159 WeakPolarHBondContact CA-O 3.4Å; F148-I159 HydrophobicContact CD1-CB 3.86Å; F148-I159 HydrophobicContact CD1-CG2 3.66Å; F148-I159 HydrophobicContact CD2-CD1 4.38Å; F148-I159 HydrophobicContact CE1-CB 4.01Å; F148-I159 HydrophobicContact CE1-CD1 4.31Å; F148-I159 HydrophobicContact CE1-CG2 3.48Å; F148-I159 VanDerWaalsContact CE1-CG2 3.48Å; F148-I159 HydrophobicContact CE2-CD1 3.92Å; F148-I159 HydrophobicContact CG-CB 4.19Å; F148-I159 HydrophobicContact CG-CG2 4.47Å; F148-I159 HydrophobicContact CZ-CB 4.44Å; F148-I159 HydrophobicContact CZ-CD1 3.89Å; F148-I159 HydrophobicContact CZ-CG2 4.15Å; F148-Y161 HydrophobicContact CB-CD1 3.8Å; F148-Y161 HydrophobicContact CB-CE1 4.25Å; F148-Y161 WeakPolarHBondContact O-CE1 3.5Å; F148-L362 HydrophobicContact CD1-CD2 4.07Å; F148-L362 HydrophobicContact CE1-CD1 4.17Å; F148-L362 HydrophobicContact CE1-CD2 3.8Å; F148-L362 HydrophobicContact CE1-CG 3.93Å; F148-L363 HydrophobicContact CE1-CD2 4.37Å; F148-L363 HydrophobicContact CZ-CD2 4.41Å; F148-Y366 HydrophobicContact CE2-CD1 4.33Å; F148-Y366 AromaticContact CE2-CD2 3.95Å; F148-Y366 HydrophobicContact CE2-CD2 3.95Å; F148-Y366 HydrophobicContact CE2-CE1 4.17Å; F148-Y366 AromaticContact CE2-CE2 3.75Å; F148-Y366 HydrophobicContact CE2-CE2 3.75Å; F148-Y366 HydrophobicContact CE2-CG 4.23Å; F148-Y366 AromaticContact CE2-CZ 3.88Å; F148-Y366 AromaticContact CZ-CD1 4Å; F148-Y366 HydrophobicContact CZ-CD1 4Å; F148-Y366 AromaticContact CZ-CD2 3.58Å; F148-Y366 HydrophobicContact CZ-CD2 3.58Å; F148-Y366 HydrophobicContact CZ-CE1 4.31Å; F148-Y366 AromaticContact CZ-CE2 3.91Å; F148-Y366 HydrophobicContact CZ-CE2 3.91Å; F148-Y366 AromaticContact CZ-CG 3.63Å; F148-Y366 HydrophobicContact CZ-CG 3.63Å
149	S	98.9	Very high	98.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.9	177.1	-69.1	0	0	0	0	110	N130 S151 D158 I159 M160 Y161	N130-S149 WeakPolarHBondContact CB-OG 3.45Å; N130-S149 PolarHBondContact ND2-OG 2.69Å; S149-S151 PolarHBondContact O-N 2.95Å; S149-S151 VanDerWaalsContact O-N 3.16Å; S149-D158 VanDerWaalsContact CB-OD1 3.3Å; S149-D158 WeakPolarHBondContact CB-OD1 3.2Å; S149-D158 PolarHBondContact OG-OD1 2.78Å; S149-I159 PolarHBondContact N-O 2.88Å; S149-M160 VanDerWaalsContact O-CA 3.32Å; S149-M160 WeakPolarHBondContact O-CA 3.15Å; S149-Y161 VanDerWaalsContact C-CD1 3.48Å; S149-Y161 VanDerWaalsContact C-CE1 3.43Å
150	F	98.9	Very high	98.4	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.026	18%	0.184	C	C	.	.	S	Bend	trans	-65	-25.9	-173.7	90.9	-81.6	0	0	0	113.8	D133 Y161 A163 W164 A275 F278 E299	D133-F150 VanDerWaalsContact O-CE1 3.31Å; D133-F150 WeakPolarHBondContact O-CE1 3.43Å; F150-Y161 HydrophobicContact CB-CE1 4.32Å; F150-Y161 HydrophobicContact CB-CE2 4.21Å; F150-Y161 VanDerWaalsContact N-CE1 3.29Å; F150-A163 HydrophobicContact CB-CB 3.84Å; F150-A163 HydrophobicContact CD2-CB 3.86Å; F150-A163 HydrophobicContact CG-CB 4.09Å; F150-W164 HydrophobicContact CB-CZ3 4.21Å; F150-W164 AromaticContact CD1-CH2 3.56Å; F150-W164 HydrophobicContact CD1-CH2 3.56Å; F150-W164 HydrophobicContact CD1-CZ2 4.32Å; F150-W164 HydrophobicContact CD1-CZ3 4.04Å; F150-W164 HydrophobicContact CE1-CH2 4.08Å; F150-W164 HydrophobicContact CG-CH2 4.18Å; F150-W164 HydrophobicContact CG-CZ3 4.37Å; F150-A275 HydrophobicContact CE1-CB 4.35Å; F150-A275 HydrophobicContact CZ-CB 4.09Å; F150-F278 AromaticContact CD2-CE1 3.61Å; F150-F278 HydrophobicContact CD2-CE1 3.61Å; F150-F278 HydrophobicContact CD2-CZ 4.29Å; F150-F278 HydrophobicContact CE2-CD1 4.12Å; F150-F278 AromaticContact CE2-CE1 3.33Å; F150-F278 HydrophobicContact CE2-CE1 3.33Å; F150-F278 AromaticContact CE2-CZ 3.99Å; F150-F278 HydrophobicContact CE2-CZ 3.99Å; F150-F278 HydrophobicContact CG-CE1 4.47Å; F150-F278 HydrophobicContact CZ-CE1 4.02Å; F150-F278 HydrophobicContact CZ-CZ 4.26Å; F150-E299 HydrophobicContact CD2-CG 4.15Å; F150-E299 HydrophobicContact CE2-CG 4.17Å
151	S	98.9	Very high	98.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144	-175.5	-178.5	0	0	0	0	111.8	S149 A276 L298	S149-S151 PolarHBondContact O-N 2.95Å; S149-S151 VanDerWaalsContact O-N 3.16Å; S151-A276 WeakPolarHBondContact OG-CB 3.48Å; S151-A276 PolarHBondContact OG-N 2.99Å; S151-L298 WeakPolarHBondContact CA-O 3.31Å; S151-L298 WeakPolarHBondContact CB-O 3.47Å; S151-L298 PolarHBondContact OG-O 2.65Å
152	K	98.9	Very high	98.5	Very high	18 Å²	18	26.8 Å²	26.8	8%	0.078	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	176.7	176.4	70.5	176.2	180	175.5	0	111.8	D64 P135 D158 M160 L298	D64-K152 VanDerWaalsContact CG-NZ 3.26Å; D64-K152 WeakPolarHBondContact OD1-CE 3.5Å; D64-K152 IonicContact OD1-NZ 3.18Å; D64-K152 PolarHBondContact OD1-NZ 3.2Å; D64-K152 IonicContact OD2-NZ 3.96Å; P135-K152 HydrophobicContact CB-CB 4.24Å; P135-K152 HydrophobicContact CG-CB 4.47Å; K152-D158 HydrophobicContact CD-CB 4.38Å; K152-D158 WeakPolarHBondContact CD-O 3.22Å; K152-D158 VanDerWaalsContact CE-O 3.29Å; K152-D158 WeakPolarHBondContact CE-O 3.48Å; K152-D158 PolarHBondContact NZ-O 2.91Å; K152-M160 HydrophobicContact CD-CG 4.1Å; K152-M160 HydrophobicContact CG-CG 3.87Å; K152-M160 HydrophobicContact CG-SD 3.96Å; K152-L298 PolarHBondContact N-O 3.38Å; K152-L298 PolarHBondContact O-N 2.76Å
153	T	98.8	Very high	98.7	Very high	10 Å²	10	19.5 Å²	19.5	6%	0.061	11%	0.109	C	C	.	.			trans	-110.3	178.1	161.9	73.9	0	0	0	0	109.8	E155 Y156 E296 W297	T153-E155 PolarHBondContact O-N 2.94Å; T153-E155 VanDerWaalsContact O-N 3.07Å; T153-E155 PolarHBondContact OG1-N 3.18Å; T153-E155 VanDerWaalsContact OG1-N 3.13Å; T153-Y156 PolarHBondContact O-N 3.31Å; T153-Y156 WeakPolarHBondContact OG1-CD2 3.45Å; T153-E296 VanDerWaalsContact CA-O 3.28Å; T153-E296 WeakPolarHBondContact CA-O 3.48Å; T153-E296 WeakPolarHBondContact CB-O 3.49Å; T153-E296 HydrophobicContact CG2-CB 4.02Å; T153-E296 WeakPolarHBondContact CG2-O 3.02Å; T153-W297 HydrophobicContact CG2-CD2 3.72Å; T153-W297 HydrophobicContact CG2-CE3 4.05Å; T153-W297 HydrophobicContact CG2-CG 4.08Å; T153-W297 HydrophobicContact CG2-CH2 4.38Å; T153-W297 HydrophobicContact CG2-CZ2 4.05Å; T153-W297 HydrophobicContact CG2-CZ3 4.37Å
154	S	98.5	Very high	98.8	Very high	77 Å²	77	15.4 Å²	15.4	54%	0.538	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-14.6	170.8	60.1	0	0	0	0	113.5	K139 Y156	K139-S154 WeakPolarHBondContact CD-O 3.1Å; K139-S154 WeakPolarHBondContact CE-O 3.33Å; K139-S154 PolarHBondContact NZ-O 3.06Å; S154-Y156 VanDerWaalsContact C-N 3.28Å; S154-Y156 PolarHBondContact O-N 2.88Å
155	E	98.7	Very high	98.9	Very high	116 Å²	116	14.9 Å²	14.9	54%	0.542	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	11	-178.1	-57.5	-52.3	114.9	0	0	113.5	P138 K139 T153	P138-E155 WeakPolarHBondContact CA-O 3.09Å; K139-E155 PolarHBondContact N-O 2.95Å; T153-E155 PolarHBondContact O-N 2.94Å; T153-E155 VanDerWaalsContact O-N 3.07Å; T153-E155 PolarHBondContact OG1-N 3.18Å; T153-E155 VanDerWaalsContact OG1-N 3.13Å
156	Y	98.9	Very high	98.9	Very high	40 Å²	40	14.5 Å²	14.5	16%	0.157	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-130.8	146.5	178.5	-64.5	-98	0	0	0	112.4	Y134 P135 V137 P138 T153 S154	Y134-Y156 VanDerWaalsContact CE1-OH 3.31Å; Y134-Y156 WeakPolarHBondContact CE1-OH 3.48Å; P135-Y156 HydrophobicContact CB-CD1 3.56Å; P135-Y156 HydrophobicContact CB-CD2 4.43Å; P135-Y156 HydrophobicContact CB-CE1 4.02Å; P135-Y156 HydrophobicContact CB-CG 3.81Å; P135-Y156 HydrophobicContact CG-CD1 3.57Å; P135-Y156 HydrophobicContact CG-CD2 3.84Å; P135-Y156 HydrophobicContact CG-CE1 3.61Å; P135-Y156 HydrophobicContact CG-CE2 3.89Å; P135-Y156 HydrophobicContact CG-CG 3.71Å; V137-Y156 CarbonylContact O-C 3.56Å; V137-Y156 VanDerWaalsContact O-CA 3.28Å; V137-Y156 WeakPolarHBondContact O-CA 3.49Å; P138-Y156 HydrophobicContact CB-CD1 4.19Å; P138-Y156 HydrophobicContact CB-CE1 4.04Å; T153-Y156 PolarHBondContact O-N 3.31Å; T153-Y156 WeakPolarHBondContact OG1-CD2 3.45Å; S154-Y156 VanDerWaalsContact C-N 3.28Å; S154-Y156 PolarHBondContact O-N 2.88Å
157	H	98.9	Very high	98.9	Very high	28 Å²	28	17.5 Å²	17.5	13%	0.13	9%	0.087	C	C	.	.			trans	-94.4	5.3	173	-69	148	0	0	0	113.3	V137 A144	V137-H157 HydrophobicContact CB-CB 4.42Å; V137-H157 HydrophobicContact CG1-CB 3.94Å; V137-H157 PolarHBondContact O-N 2.56Å; A144-H157 HydrophobicContact CB-CB 4.46Å
158	D	98.9	Very high	98.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-54.3	145	172	-66.8	-117.5	0	0	0	110.9	P135 Q136 V137 V147 S149 K152	P135-D158 HydrophobicContact CB-CB 4.27Å; P135-D158 WeakPolarHBondContact CB-OD2 3.39Å; Q136-D158 PolarHBondContact N-OD1 2.88Å; Q136-D158 PolarHBondContact N-OD2 3.04Å; V137-D158 WeakPolarHBondContact CA-OD2 3.45Å; V137-D158 PolarHBondContact N-OD2 3.12Å; V147-D158 CarbonylContact O-C 3.37Å; V147-D158 VanDerWaalsContact O-CA 3.28Å; V147-D158 WeakPolarHBondContact O-CA 3.31Å; S149-D158 VanDerWaalsContact CB-OD1 3.3Å; S149-D158 WeakPolarHBondContact CB-OD1 3.2Å; S149-D158 PolarHBondContact OG-OD1 2.78Å; K152-D158 HydrophobicContact CD-CB 4.38Å; K152-D158 WeakPolarHBondContact CD-O 3.22Å; K152-D158 VanDerWaalsContact CE-O 3.29Å; K152-D158 WeakPolarHBondContact CE-O 3.48Å; K152-D158 PolarHBondContact NZ-O 2.91Å
159	I	98.9	Very high	98.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	120.2	177.3	-59.1	162	0	0	0	107.8	D64 L65 F68 P146 V147 F148 S149 L362 Y366	D64-I159 HydrophobicContact CB-CG2 4.15Å; L65-I159 HydrophobicContact CD2-CD1 3.7Å; L65-I159 HydrophobicContact CD2-CG1 4.11Å; L65-I159 HydrophobicContact CD2-CG2 4.13Å; F68-I159 HydrophobicContact CD2-CD1 4Å; F68-I159 HydrophobicContact CD2-CG1 4.36Å; F68-I159 HydrophobicContact CE2-CD1 3.71Å; F68-I159 HydrophobicContact CE2-CG1 3.77Å; P146-I159 HydrophobicContact CB-CD1 4.16Å; V147-I159 PolarHBondContact O-N 3.19Å; F148-I159 CarbonylContact C-O 3.5Å; F148-I159 VanDerWaalsContact CA-O 3.22Å; F148-I159 WeakPolarHBondContact CA-O 3.4Å; F148-I159 HydrophobicContact CD1-CB 3.86Å; F148-I159 HydrophobicContact CD1-CG2 3.66Å; F148-I159 HydrophobicContact CD2-CD1 4.38Å; F148-I159 HydrophobicContact CE1-CB 4.01Å; F148-I159 HydrophobicContact CE1-CD1 4.31Å; F148-I159 HydrophobicContact CE1-CG2 3.48Å; F148-I159 VanDerWaalsContact CE1-CG2 3.48Å; F148-I159 HydrophobicContact CE2-CD1 3.92Å; F148-I159 HydrophobicContact CG-CB 4.19Å; F148-I159 HydrophobicContact CG-CG2 4.47Å; F148-I159 HydrophobicContact CZ-CB 4.44Å; F148-I159 HydrophobicContact CZ-CD1 3.89Å; F148-I159 HydrophobicContact CZ-CG2 4.15Å; S149-I159 PolarHBondContact N-O 2.88Å; I159-L362 HydrophobicContact CG2-CD1 3.69Å; I159-L362 HydrophobicContact CG2-CD2 4.48Å; I159-Y366 HydrophobicContact CD1-CD2 4.01Å; I159-Y366 HydrophobicContact CD1-CE2 4.06Å
160	M	98.9	Very high	98.7	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.02	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	141.6	179.9	-72.1	-172.9	-70.6	0	0	111.6	V60 D64 S149 K152 L298 F300 L362	V60-M160 HydrophobicContact CG1-CE 3.52Å; D64-M160 WeakPolarHBondContact OD2-CB 3.44Å; D64-M160 PolarHBondContact OD2-N 3.06Å; S149-M160 VanDerWaalsContact O-CA 3.32Å; S149-M160 WeakPolarHBondContact O-CA 3.15Å; K152-M160 HydrophobicContact CD-CG 4.1Å; K152-M160 HydrophobicContact CG-CG 3.87Å; K152-M160 HydrophobicContact CG-SD 3.96Å; M160-L298 HydrophobicContact CE-CB 4.47Å; M160-L298 HydrophobicContact SD-CB 3.93Å; M160-F300 HydrophobicContact CB-CB 4.09Å; M160-L362 VanDerWaalsContact O-CD2 3.31Å; M160-L362 WeakPolarHBondContact O-CD2 3.35Å
161	Y	98.9	Very high	98.7	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	13%	0.125	C	C	.	.			trans	-134.7	156.1	172.8	70.8	-96	0	0	0	110.9	V111 I129 N130 F148 S149 F150 A163 W164 W359	V111-Y161 HydrophobicContact CG2-CE2 3.76Å; I129-Y161 HydrophobicContact CG2-CD1 4.35Å; I129-Y161 HydrophobicContact CG2-CE1 3.67Å; I129-Y161 HydrophobicContact CG2-CE2 4.44Å; N130-Y161 PolarHBondContact O-OH 3.17Å; F148-Y161 HydrophobicContact CB-CD1 3.8Å; F148-Y161 HydrophobicContact CB-CE1 4.25Å; F148-Y161 WeakPolarHBondContact O-CE1 3.5Å; S149-Y161 VanDerWaalsContact C-CD1 3.48Å; S149-Y161 VanDerWaalsContact C-CE1 3.43Å; F150-Y161 HydrophobicContact CB-CE1 4.32Å; F150-Y161 HydrophobicContact CB-CE2 4.21Å; F150-Y161 VanDerWaalsContact N-CE1 3.29Å; Y161-A163 PolarHBondContact O-N 3.09Å; Y161-A163 VanDerWaalsContact O-N 3.14Å; Y161-W164 HydrophobicContact CE2-CE3 4.19Å; Y161-W164 WeakPolarHBondContact OH-CZ3 3.28Å; Y161-W359 HydrophobicContact CD1-CH2 4.46Å; Y161-W359 AromaticContact CD2-CH2 3.36Å; Y161-W359 HydrophobicContact CD2-CH2 3.36Å; Y161-W359 AromaticContact CD2-CZ2 3.18Å; Y161-W359 HydrophobicContact CD2-CZ2 3.18Å; Y161-W359 HydrophobicContact CE2-CH2 4.11Å; Y161-W359 AromaticContact CE2-CZ2 3.93Å; Y161-W359 HydrophobicContact CE2-CZ2 3.93Å; Y161-W359 AromaticContact CG-CH2 3.54Å; Y161-W359 HydrophobicContact CG-CH2 3.54Å; Y161-W359 AromaticContact CG-CZ2 3.81Å; Y161-W359 HydrophobicContact CG-CZ2 3.81Å; Y161-W359 HydrophobicContact CG-CZ3 4.37Å
162	P	98.9	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.			trans	-64.2	115.1	175.1	-19.6	31.3	0	0	0	111.5	F166 F300 I355 Y358 W359	P162-F166 HydrophobicContact CB-CD2 3.98Å; P162-F166 HydrophobicContact CB-CE2 4.06Å; P162-F300 HydrophobicContact CB-CD1 4.04Å; P162-F300 HydrophobicContact CB-CE1 3.69Å; P162-F300 HydrophobicContact CB-CZ 4.32Å; P162-F300 HydrophobicContact CG-CD1 4.01Å; P162-F300 HydrophobicContact CG-CE1 3.83Å; P162-F300 HydrophobicContact CG-CG 4.45Å; P162-F300 HydrophobicContact CG-CZ 4.12Å; P162-I355 HydrophobicContact CB-CG2 3.56Å; P162-I355 HydrophobicContact CG-CG2 4.2Å; P162-Y358 HydrophobicContact CG-CD1 3.49Å; P162-Y358 VanDerWaalsContact CG-CD1 3.49Å; P162-Y358 HydrophobicContact CG-CE1 4.28Å; P162-Y358 HydrophobicContact CG-CG 4.14Å; P162-W359 HydrophobicContact CG-CG 4.28Å; P162-W359 PolarHBondContact O-NE1 3.49Å
163	A	98.9	Very high	98.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.			trans	-52.6	146.8	-172.4	0	0	0	0	0	113.5	F150 Y161 T165 F166 F278	F150-A163 HydrophobicContact CB-CB 3.84Å; F150-A163 HydrophobicContact CD2-CB 3.86Å; F150-A163 HydrophobicContact CG-CB 4.09Å; Y161-A163 PolarHBondContact O-N 3.09Å; Y161-A163 VanDerWaalsContact O-N 3.14Å; A163-T165 HydrophobicContact CB-CG2 4.06Å; A163-T165 PolarHBondContact O-N 2.93Å; A163-F166 VanDerWaalsContact O-CD2 3.26Å; A163-F166 WeakPolarHBondContact O-CD2 3.45Å; A163-F166 PolarHBondContact O-N 3.16Å; A163-F278 HydrophobicContact CB-CD1 4.49Å; A163-F278 HydrophobicContact CB-CE1 3.63Å; A163-F278 HydrophobicContact CB-CZ 4.13Å
164	W	98.9	Very high	98.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-45.1	-36	174.8	50.2	81.6	0	0	0	113.7	R107 V111 V131 F150 Y161 F166 W167 E168 G169 F278	R107-W164 HydrophobicContact CB-CB 4.14Å; R107-W164 HydrophobicContact CB-CD2 3.7Å; R107-W164 HydrophobicContact CB-CE3 4.1Å; R107-W164 HydrophobicContact CB-CG 3.69Å; R107-W164 HydrophobicContact CG-CD2 3.77Å; R107-W164 HydrophobicContact CG-CE3 4.49Å; R107-W164 HydrophobicContact CG-CG 3.8Å; R107-W164 HydrophobicContact CG-CZ2 4.32Å; R107-W164 VanDerWaalsContact CZ-CZ2 3.46Å; R107-W164 VanDerWaalsContact O-CB 3.25Å; R107-W164 WeakPolarHBondContact O-CB 3.42Å; V111-W164 HydrophobicContact CG2-CB 4.31Å; V131-W164 HydrophobicContact CB-CE3 4.21Å; V131-W164 HydrophobicContact CB-CZ3 4.11Å; V131-W164 HydrophobicContact CG1-CE3 4.25Å; V131-W164 HydrophobicContact CG1-CZ3 4.47Å; V131-W164 WeakPolarHBondContact O-CH2 3.39Å; F150-W164 HydrophobicContact CB-CZ3 4.21Å; F150-W164 AromaticContact CD1-CH2 3.56Å; F150-W164 HydrophobicContact CD1-CH2 3.56Å; F150-W164 HydrophobicContact CD1-CZ2 4.32Å; F150-W164 HydrophobicContact CD1-CZ3 4.04Å; F150-W164 HydrophobicContact CE1-CH2 4.08Å; F150-W164 HydrophobicContact CG-CH2 4.18Å; F150-W164 HydrophobicContact CG-CZ3 4.37Å; Y161-W164 HydrophobicContact CE2-CE3 4.19Å; Y161-W164 WeakPolarHBondContact OH-CZ3 3.28Å; W164-F166 PolarHBondContact O-N 3.42Å; W164-W167 PolarHBondContact O-N 3.17Å; W164-E168 CarbonylContact C-O 3.54Å; W164-E168 PolarHBondContact O-N 2.98Å; W164-G169 VanDerWaalsContact CD1-C 3.48Å; W164-G169 VanDerWaalsContact CD1-O 3.32Å; W164-G169 PolarHBondContact NE1-O 2.92Å; W164-F278 AromaticContact CE2-CZ 3.98Å; W164-F278 AromaticContact CZ2-CZ 3.9Å; W164-F278 HydrophobicContact CZ2-CZ 3.9Å; W164-F278 AromaticContact NE1-CZ 3.9Å
165	T	98.8	Very high	98.1	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.018	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-62.1	-10.8	-176.7	-160.5	0	0	0	0	114.9	A163 E168 L181 G182 F278	A163-T165 HydrophobicContact CB-CG2 4.06Å; A163-T165 PolarHBondContact O-N 2.93Å; T165-E168 PolarHBondContact N-O 2.81Å; T165-L181 PolarHBondContact OG1-O 2.77Å; T165-G182 WeakPolarHBondContact O-CA 3.41Å; T165-F278 HydrophobicContact CG2-CB 4.3Å; T165-F278 HydrophobicContact CG2-CD1 3.66Å; T165-F278 HydrophobicContact CG2-CD2 3.87Å; T165-F278 HydrophobicContact CG2-CE1 3.8Å; T165-F278 HydrophobicContact CG2-CE2 4.03Å; T165-F278 HydrophobicContact CG2-CG 3.7Å; T165-F278 HydrophobicContact CG2-CZ 4Å
166	F	98.9	Very high	98.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-64.4	-30.5	168.8	-76.9	-72.3	0	0	0	110.9	F114 P162 A163 W164 W184 K281 F300 F301 L350 I355	F114-F166 HydrophobicContact CE2-CB 3.91Å; F114-F166 HydrophobicContact CZ-CB 3.59Å; P162-F166 HydrophobicContact CB-CD2 3.98Å; P162-F166 HydrophobicContact CB-CE2 4.06Å; A163-F166 VanDerWaalsContact O-CD2 3.26Å; A163-F166 WeakPolarHBondContact O-CD2 3.45Å; A163-F166 PolarHBondContact O-N 3.16Å; W164-F166 PolarHBondContact O-N 3.42Å; F166-W184 HydrophobicContact CB-CB 4.39Å; F166-W184 HydrophobicContact CD1-CB 3.73Å; F166-W184 AromaticContact CD1-CD1 3.44Å; F166-W184 VanDerWaalsContact CD1-CD1 3.44Å; F166-W184 HydrophobicContact CD1-CD2 4.35Å; F166-W184 AromaticContact CD1-CG 3.56Å; F166-W184 HydrophobicContact CD1-CG 3.56Å; F166-W184 AromaticContact CE1-CD1 3.73Å; F166-W184 HydrophobicContact CE1-CD2 4.37Å; F166-W184 AromaticContact CE1-CG 4Å; F166-W184 HydrophobicContact CE1-CG 4Å; F166-W184 AromaticContact CE1-NE1 3.85Å; F166-W184 WeakPolarHBondContact O-CB 3.48Å; F166-W184 PolarHBondContact O-N 3.21Å; F166-K281 HydrophobicContact CD1-CD 4.4Å; F166-K281 HydrophobicContact CE1-CD 3.55Å; F166-K281 HydrophobicContact CZ-CD 3.91Å; F166-F300 AromaticContact CE2-CE1 3.94Å; F166-F300 HydrophobicContact CE2-CE1 3.94Å; F166-F300 HydrophobicContact CZ-CE1 4.17Å; F166-F301 HydrophobicContact CZ-CE1 4.35Å; F166-L350 HydrophobicContact CE1-CD2 4.32Å; F166-L350 HydrophobicContact CE1-CG 4.32Å; F166-L350 HydrophobicContact CZ-CD1 4.32Å; F166-L350 HydrophobicContact CZ-CD2 4.35Å; F166-L350 HydrophobicContact CZ-CG 4.47Å; F166-I355 HydrophobicContact CB-CG1 4.41Å; F166-I355 HydrophobicContact CB-CG2 4.1Å; F166-I355 HydrophobicContact CD1-CD1 3.78Å; F166-I355 HydrophobicContact CD1-CG1 3.73Å; F166-I355 HydrophobicContact CD2-CD1 4.05Å; F166-I355 HydrophobicContact CD2-CG1 4.29Å; F166-I355 HydrophobicContact CD2-CG2 4.08Å; F166-I355 HydrophobicContact CE1-CD1 3.51Å; F166-I355 HydrophobicContact CE1-CG1 3.99Å; F166-I355 HydrophobicContact CE2-CD1 3.82Å; F166-I355 HydrophobicContact CG-CD1 4.06Å; F166-I355 HydrophobicContact CG-CG1 3.91Å; F166-I355 HydrophobicContact CG-CG2 4.07Å; F166-I355 HydrophobicContact CZ-CD1 3.54Å; F166-I355 HydrophobicContact CZ-CG1 4.4Å
167	W	98.8	Very high	98	Very high	63 Å²	63	31.2 Å²	31.2	24%	0.239	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-59.7	173.1	-171.5	-115.5	0	0	0	112.9	H113 F114 W164 G182 R183 M352	H113-W167 HydrophobicContact CB-CB 4.42Å; H113-W167 HydrophobicContact CB-CG 3.98Å; H113-W167 AromaticContact CD2-CD1 3.96Å; H113-W167 AromaticContact CD2-CD2 3.56Å; H113-W167 AromaticContact CD2-CE3 3.93Å; H113-W167 AromaticContact CD2-CG 3.49Å; H113-W167 VanDerWaalsContact CD2-CG 3.49Å; H113-W167 AromaticContact CE1-CD2 3.54Å; H113-W167 AromaticContact CE1-CE2 3.44Å; H113-W167 VanDerWaalsContact CE1-CE2 3.44Å; H113-W167 AromaticContact CE1-CE3 3.71Å; H113-W167 AromaticContact CE1-CH2 3.69Å; H113-W167 AromaticContact CE1-CZ2 3.54Å; H113-W167 AromaticContact CE1-CZ3 3.78Å; H113-W167 AromaticContact CG-CD1 3.53Å; H113-W167 AromaticContact CG-CD2 3.74Å; H113-W167 AromaticContact CG-CE2 3.83Å; H113-W167 AromaticContact CG-CG 3.56Å; H113-W167 AromaticContact CG-NE1 3.71Å; H113-W167 AromaticContact ND1-CD1 3.87Å; H113-W167 AromaticContact ND1-CD2 3.73Å; H113-W167 AromaticContact ND1-CE2 3.42Å; H113-W167 AromaticContact ND1-CZ2 3.8Å; H113-W167 AromaticContact ND1-NE1 3.54Å; H113-W167 AromaticContact NE2-CD2 3.4Å; H113-W167 AromaticContact NE2-CE2 3.83Å; H113-W167 AromaticContact NE2-CE3 3.37Å; H113-W167 AromaticContact NE2-CG 3.89Å; H113-W167 AromaticContact NE2-CZ3 3.74Å; F114-W167 HydrophobicContact CE2-CB 3.86Å; F114-W167 HydrophobicContact CZ-CB 4Å; W164-W167 PolarHBondContact O-N 3.17Å; W167-G182 CarbonylContact O-C 3.49Å; W167-G182 WeakPolarHBondContact O-CA 3.33Å; W167-R183 VanDerWaalsContact CZ3-NE 3.34Å; W167-R183 PolarHBondContact O-N 2.8Å; W167-M352 HydrophobicContact CE3-CE 3.56Å; W167-M352 HydrophobicContact CZ3-CE 4.15Å
168	E	98.4	Very high	97.8	Very high	54 Å²	54	33.6 Å²	33.6	25%	0.252	18%	0.18	S	C	.	.	S	Bend	trans	-158.2	175.5	-177	68.5	176.2	125.7	0	0	113.1	S106 S109 W164 T165 G170	S106-E168 WeakPolarHBondContact O-CG 3.24Å; S109-E168 VanDerWaalsContact CB-OE1 3.25Å; S109-E168 WeakPolarHBondContact CB-OE1 3.36Å; W164-E168 CarbonylContact C-O 3.54Å; W164-E168 PolarHBondContact O-N 2.98Å; T165-E168 PolarHBondContact N-O 2.81Å; E168-G170 PolarHBondContact O-N 3.21Å
169	G	97.3	Very high	97.7	Very high	10 Å²	10	39.8 Å²	39.8	10%	0.103	22%	0.218	C	C	.	.			trans	80	10.6	172	0	0	0	0	0	115.7	R107 W164	R107-G169 WeakPolarHBondContact CG-O 3.44Å; W164-G169 VanDerWaalsContact CD1-C 3.48Å; W164-G169 VanDerWaalsContact CD1-O 3.32Å; W164-G169 PolarHBondContact NE1-O 2.92Å
170	G	98.4	Very high	97.6	Very high	8 Å²	8	40.4 Å²	40.4	8%	0.082	22%	0.224	C	C	.	.	S	Bend	trans	-68.7	179.2	166.7	0	0	0	0	0	112.7	E168 A172 G180 L181	E168-G170 PolarHBondContact O-N 3.21Å; G170-A172 PolarHBondContact O-N 3.31Å; G170-G180 WeakPolarHBondContact O-CA 3.5Å; G170-L181 WeakPolarHBondContact CA-O 3.3Å; G170-L181 PolarHBondContact N-O 2.85Å
171	P	97.8	Very high	97.6	Very high	63 Å²	63	40.8 Å²	40.8	41%	0.409	23%	0.226	S	C	.	.			trans	-57.2	125	-177.5	-26.5	35.7	0	0	0	113	V173 L181 F278	P171-V173 HydrophobicContact CB-CG2 4.06Å; P171-V173 PolarHBondContact O-N 2.94Å; P171-V173 VanDerWaalsContact O-N 3.12Å; P171-L181 PolarHBondContact O-N 3.27Å; P171-F278 HydrophobicContact CG-CD2 4.33Å
172	A	96.6	Very high	97.6	Very high	39 Å²	39	41.4 Å²	41.4	32%	0.322	23%	0.232	S	C	.	.			trans	-83.7	77.9	174	0	0	0	0	0	110.6	G170 W174 Y177 Q240	G170-A172 PolarHBondContact O-N 3.31Å; A172-W174 PolarHBondContact O-N 3.5Å; A172-Y177 CarbonylContact C-O 3.55Å; A172-Y177 VanDerWaalsContact CA-O 3.28Å; A172-Y177 WeakPolarHBondContact CA-O 3.41Å; A172-Q240 PolarHBondContact O-NE2 3.35Å
173	V	96.5	Very high	97.6	Very high	39 Å²	39	45.9 Å²	45.9	24%	0.236	25%	0.249	C	C	.	.			trans	-82.6	105.5	-179.8	-175.5	0	0	0	0	109	P171 I176 Y177 D256	P171-V173 HydrophobicContact CB-CG2 4.06Å; P171-V173 PolarHBondContact O-N 2.94Å; P171-V173 VanDerWaalsContact O-N 3.12Å; V173-I176 HydrophobicContact CB-CD1 4.32Å; V173-I176 HydrophobicContact CB-CG1 4Å; V173-I176 HydrophobicContact CG1-CD1 3.99Å; V173-I176 HydrophobicContact CG1-CG1 3.87Å; V173-I176 WeakPolarHBondContact O-CG1 3.4Å; V173-I176 PolarHBondContact O-N 3.44Å; V173-Y177 HydrophobicContact CB-CD2 4.07Å; V173-Y177 HydrophobicContact CG2-CD2 4.36Å; V173-Y177 PolarHBondContact O-N 3.12Å; V173-D256 HydrophobicContact CG1-CB 3.87Å; V173-D256 VanDerWaalsContact CG1-CG 3.42Å; V173-D256 WeakPolarHBondContact CG1-OD1 3.24Å
174	W	94.4	Very high	97.6	Very high	196 Å²	196	46 Å²	46	74%	0.742	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	137.2	178.7	-176.5	-95.8	0	0	0	111.8	A172 P178	A172-W174 PolarHBondContact O-N 3.5Å; W174-P178 HydrophobicContact CE3-CB 3.94Å; W174-P178 HydrophobicContact CZ3-CB 3.69Å
175	P	96.3	Very high	97.6	Very high	82 Å²	82	48 Å²	48	53%	0.532	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	cis	-93	-0	0.3	37.1	-35.9	0	0	0	114.1
176	I	97	Very high	97.6	Very high	42 Å²	42	52 Å²	52	22%	0.215	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-30	-166.1	56.7	171.8	0	0	0	114.4	V173 D256 H258	V173-I176 HydrophobicContact CB-CD1 4.32Å; V173-I176 HydrophobicContact CB-CG1 4Å; V173-I176 HydrophobicContact CG1-CD1 3.99Å; V173-I176 HydrophobicContact CG1-CG1 3.87Å; V173-I176 WeakPolarHBondContact O-CG1 3.4Å; V173-I176 PolarHBondContact O-N 3.44Å; I176-D256 HydrophobicContact CD1-CB 3.94Å; I176-D256 HydrophobicContact CG1-CB 4.33Å; I176-H258 HydrophobicContact CG2-CB 4.4Å
177	Y	97	Very high	97.5	Very high	23 Å²	23	52.7 Å²	52.7	9%	0.09	28%	0.284	C	S	.	.			trans	-132.7	71	176.4	-48.6	-54	0	0	0	109.8	A172 V173 T179 G180 L181 F187 H258 L259	A172-Y177 CarbonylContact C-O 3.55Å; A172-Y177 VanDerWaalsContact CA-O 3.28Å; A172-Y177 WeakPolarHBondContact CA-O 3.41Å; V173-Y177 HydrophobicContact CB-CD2 4.07Å; V173-Y177 HydrophobicContact CG2-CD2 4.36Å; V173-Y177 PolarHBondContact O-N 3.12Å; Y177-T179 PolarHBondContact O-N 2.8Å; Y177-G180 PolarHBondContact O-N 3.38Å; Y177-L181 HydrophobicContact CD1-CD1 4.32Å; Y177-L181 HydrophobicContact CD2-CB 4.26Å; Y177-L181 HydrophobicContact CD2-CD1 4.35Å; Y177-L181 HydrophobicContact CE1-CD1 4.16Å; Y177-L181 HydrophobicContact CE2-CD1 4.18Å; Y177-L181 HydrophobicContact CG-CB 4.4Å; Y177-L181 HydrophobicContact CG-CD1 4.45Å; Y177-F187 HydrophobicContact CD1-CE2 4.18Å; Y177-F187 AromaticContact CE1-CE2 3.46Å; Y177-F187 HydrophobicContact CE1-CE2 3.46Å; Y177-F187 VanDerWaalsContact CE1-CE2 3.46Å; Y177-F187 AromaticContact CE1-CZ 3.52Å; Y177-F187 HydrophobicContact CE1-CZ 3.52Å; Y177-F187 AromaticContact CZ-CZ 3.78Å; Y177-F187 WeakPolarHBondContact OH-CZ 3.31Å; Y177-H258 AromaticContact CE1-CD2 3.57Å; Y177-H258 AromaticContact CE1-NE2 3.39Å; Y177-H258 WeakPolarHBondContact CE1-NE2 3.29Å; Y177-L259 WeakPolarHBondContact OH-CD1 3.4Å; Y177-L259 WeakPolarHBondContact OH-CG 3.48Å; Y177-L259 PolarHBondContact OH-N 2.9Å
178	P	95.9	Very high	97.5	Very high	78 Å²	78	50.9 Å²	50.9	51%	0.506	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.1	-171.4	26.3	-35.1	0	0	0	113	W174	W174-P178 HydrophobicContact CE3-CB 3.94Å; W174-P178 HydrophobicContact CZ3-CB 3.69Å
179	T	96.2	Very high	97.6	Very high	131 Å²	131	52.8 Å²	52.8	80%	0.804	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	13.2	178.6	55.2	0	0	0	0	113.4	Y177	Y177-T179 PolarHBondContact O-N 2.8Å
180	G	97.8	Very high	97.6	Very high	12 Å²	12	55.3 Å²	55.3	12%	0.124	30%	0.298	C	S	.	.			trans	89.1	143.6	-173	0	0	0	0	0	113.1	G170 Y177 G182	G170-G180 WeakPolarHBondContact O-CA 3.5Å; Y177-G180 PolarHBondContact O-N 3.38Å; G180-G182 PolarHBondContact O-N 2.9Å
181	L	98.4	Very high	97.7	Very high	13 Å²	13	55 Å²	55	7%	0.068	29%	0.294	C	S	.	.	S	Bend	trans	-58.2	133.8	169.4	-179.3	66	0	0	0	109.9	T165 G170 P171 Y177 F187 L259 F278	T165-L181 PolarHBondContact OG1-O 2.77Å; G170-L181 WeakPolarHBondContact CA-O 3.3Å; G170-L181 PolarHBondContact N-O 2.85Å; P171-L181 PolarHBondContact O-N 3.27Å; Y177-L181 HydrophobicContact CD1-CD1 4.32Å; Y177-L181 HydrophobicContact CD2-CB 4.26Å; Y177-L181 HydrophobicContact CD2-CD1 4.35Å; Y177-L181 HydrophobicContact CE1-CD1 4.16Å; Y177-L181 HydrophobicContact CE2-CD1 4.18Å; Y177-L181 HydrophobicContact CG-CB 4.4Å; Y177-L181 HydrophobicContact CG-CD1 4.45Å; L181-F187 HydrophobicContact CD1-CD2 3.85Å; L181-F187 HydrophobicContact CD1-CE2 3.44Å; L181-F187 VanDerWaalsContact CD1-CE2 3.44Å; L181-F187 HydrophobicContact CD1-CZ 4.18Å; L181-L259 HydrophobicContact CD1-CD1 4.5Å; L181-F278 HydrophobicContact CD2-CB 4.21Å
182	G	98.4	Very high	97.7	Very high	13 Å²	13	53.5 Å²	53.5	13%	0.134	28%	0.283	C	S	.	.			trans	-171.9	-165.7	-173	0	0	0	0	0	111.3	T165 W167 G180 W184	T165-G182 WeakPolarHBondContact O-CA 3.41Å; W167-G182 CarbonylContact O-C 3.49Å; W167-G182 WeakPolarHBondContact O-CA 3.33Å; G180-G182 PolarHBondContact O-N 2.9Å; G182-W184 PolarHBondContact O-N 3.36Å
183	R	98.8	Very high	97.8	Very high	94 Å²	94	57.9 Å²	57.9	36%	0.355	29%	0.292	S	S	.	.			trans	46.8	60	171.7	-65.9	-59.9	-55.9	-84.5	3.2	112.6	W167 D185 L186 F187	W167-R183 VanDerWaalsContact CZ3-NE 3.34Å; W167-R183 PolarHBondContact O-N 2.8Å; R183-D185 VanDerWaalsContact CA-OD1 3.23Å; R183-D185 WeakPolarHBondContact CA-OD1 3.07Å; R183-D185 IonicContact CZ-OD1 3.76Å; R183-D185 IonicContact CZ-OD2 2.74Å; R183-D185 IonicContact NE-OD1 3.61Å; R183-D185 PolarHBondContact NE-OD1 2.04Å; R183-D185 IonicContact NE-OD2 2.63Å; R183-D185 PolarHBondContact NE-OD2 2.72Å; R183-D185 IonicContact NH2-OD1 3.79Å; R183-D185 IonicContact NH2-OD2 2.69Å; R183-D185 PolarHBondContact NH2-OD2 3.28Å; R183-D185 PolarHBondContact O-N 3.31Å; R183-L186 HydrophobicContact CB-CB 4.24Å; R183-L186 HydrophobicContact CB-CD1 4.1Å; R183-L186 HydrophobicContact CB-CG 4.16Å; R183-L186 HydrophobicContact CG-CD1 4.4Å; R183-L186 PolarHBondContact O-N 3.34Å; R183-F187 PolarHBondContact O-N 2.75Å
184	W	98.9	Very high	97.9	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-55.4	-36.8	-179.7	173.7	-123.8	0	0	0	112	F166 G182 L186 F187 R188 L191 K281 H282 L285 I346 L350	F166-W184 HydrophobicContact CB-CB 4.39Å; F166-W184 HydrophobicContact CD1-CB 3.73Å; F166-W184 AromaticContact CD1-CD1 3.44Å; F166-W184 VanDerWaalsContact CD1-CD1 3.44Å; F166-W184 HydrophobicContact CD1-CD2 4.35Å; F166-W184 AromaticContact CD1-CG 3.56Å; F166-W184 HydrophobicContact CD1-CG 3.56Å; F166-W184 AromaticContact CE1-CD1 3.73Å; F166-W184 HydrophobicContact CE1-CD2 4.37Å; F166-W184 AromaticContact CE1-CG 4Å; F166-W184 HydrophobicContact CE1-CG 4Å; F166-W184 AromaticContact CE1-NE1 3.85Å; F166-W184 WeakPolarHBondContact O-CB 3.48Å; F166-W184 PolarHBondContact O-N 3.21Å; G182-W184 PolarHBondContact O-N 3.36Å; W184-L186 PolarHBondContact O-N 3.37Å; W184-F187 HydrophobicContact CE3-CB 4.34Å; W184-F187 PolarHBondContact O-N 3.23Å; W184-R188 HydrophobicContact CD2-CG 3.68Å; W184-R188 VanDerWaalsContact CE2-CG 3.44Å; W184-R188 HydrophobicContact CE3-CG 3.98Å; W184-R188 HydrophobicContact CG-CG 4.28Å; W184-R188 HydrophobicContact CH2-CG 3.88Å; W184-R188 HydrophobicContact CZ2-CG 3.56Å; W184-R188 HydrophobicContact CZ3-CG 4.06Å; W184-R188 WeakPolarHBondContact O-CB 3.5Å; W184-R188 WeakPolarHBondContact O-CD 3.44Å; W184-R188 WeakPolarHBondContact O-CG 3.33Å; W184-R188 PolarHBondContact O-N 2.74Å; W184-L191 HydrophobicContact CZ3-CD1 4.39Å; W184-K281 HydrophobicContact CD2-CD 4.07Å; W184-K281 HydrophobicContact CE3-CD 4Å; W184-K281 HydrophobicContact CH2-CB 4.11Å; W184-K281 HydrophobicContact CH2-CD 4.08Å; W184-K281 HydrophobicContact CH2-CG 4.07Å; W184-K281 HydrophobicContact CZ2-CB 4.44Å; W184-K281 HydrophobicContact CZ2-CD 4.15Å; W184-K281 HydrophobicContact CZ3-CD 4.02Å; W184-K281 HydrophobicContact CZ3-CG 4.07Å; W184-H282 AromaticContact CE3-NE2 3.89Å; W184-H282 AromaticContact CZ3-CD2 3.58Å; W184-H282 AromaticContact CZ3-NE2 3.9Å; W184-L285 HydrophobicContact CH2-CD1 3.32Å; W184-L285 HydrophobicContact CH2-CG 4.13Å; W184-L285 HydrophobicContact CZ2-CD1 3.88Å; W184-L285 HydrophobicContact CZ3-CD1 4.01Å; W184-I346 HydrophobicContact CH2-CG2 4Å; W184-I346 HydrophobicContact CZ2-CG2 3.76Å; W184-L350 HydrophobicContact CZ2-CD2 4.36Å; W184-L350 PolarHBondContact NE1-O 3.35Å
185	D	98.4	Very high	98.1	Very high	42 Å²	42	48 Å²	48	23%	0.225	26%	0.256	C	S	.	.	H	α-helix	trans	-50.5	-51.1	171.2	61.3	-44	0	0	0	112.4	R183 M352	R183-D185 VanDerWaalsContact CA-OD1 3.23Å; R183-D185 WeakPolarHBondContact CA-OD1 3.07Å; R183-D185 IonicContact CZ-OD1 3.76Å; R183-D185 IonicContact CZ-OD2 2.74Å; R183-D185 IonicContact NE-OD1 3.61Å; R183-D185 PolarHBondContact NE-OD1 2.04Å; R183-D185 IonicContact NE-OD2 2.63Å; R183-D185 PolarHBondContact NE-OD2 2.72Å; R183-D185 IonicContact NH2-OD1 3.79Å; R183-D185 IonicContact NH2-OD2 2.69Å; R183-D185 PolarHBondContact NH2-OD2 3.28Å; R183-D185 PolarHBondContact O-N 3.31Å; D185-M352 HydrophobicContact CB-CB 4.38Å; D185-M352 HydrophobicContact CB-CG 4.4Å
186	L	98.6	Very high	98.2	Very high	87 Å²	87	48 Å²	48	46%	0.455	26%	0.263	S	S	.	.	H	α-helix	trans	-73.3	-41.2	178.9	-56.9	-176	0	0	0	112.2	R183 W184 R188 E189 D190	R183-L186 HydrophobicContact CB-CB 4.24Å; R183-L186 HydrophobicContact CB-CD1 4.1Å; R183-L186 HydrophobicContact CB-CG 4.16Å; R183-L186 HydrophobicContact CG-CD1 4.4Å; R183-L186 PolarHBondContact O-N 3.34Å; W184-L186 PolarHBondContact O-N 3.37Å; L186-R188 VanDerWaalsContact C-N 3.26Å; L186-R188 PolarHBondContact O-N 2.89Å; L186-E189 PolarHBondContact O-N 3.47Å; L186-E189 VanDerWaalsContact O-N 3.13Å; L186-D190 PolarHBondContact O-N 2.75Å; L186-D190 VanDerWaalsContact O-N 3.15Å
187	F	98.7	Very high	98.3	Very high	15 Å²	15	52.4 Å²	52.4	7%	0.066	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-35	-177.9	-135.2	-62	0	0	0	111.9	Y177 L181 R183 W184 D190 L191 H258 L259 H282	Y177-F187 HydrophobicContact CD1-CE2 4.18Å; Y177-F187 AromaticContact CE1-CE2 3.46Å; Y177-F187 HydrophobicContact CE1-CE2 3.46Å; Y177-F187 VanDerWaalsContact CE1-CE2 3.46Å; Y177-F187 AromaticContact CE1-CZ 3.52Å; Y177-F187 HydrophobicContact CE1-CZ 3.52Å; Y177-F187 AromaticContact CZ-CZ 3.78Å; Y177-F187 WeakPolarHBondContact OH-CZ 3.31Å; L181-F187 HydrophobicContact CD1-CD2 3.85Å; L181-F187 HydrophobicContact CD1-CE2 3.44Å; L181-F187 VanDerWaalsContact CD1-CE2 3.44Å; L181-F187 HydrophobicContact CD1-CZ 4.18Å; R183-F187 PolarHBondContact O-N 2.75Å; W184-F187 HydrophobicContact CE3-CB 4.34Å; W184-F187 PolarHBondContact O-N 3.23Å; F187-D190 PolarHBondContact O-N 3.17Å; F187-L191 HydrophobicContact CD1-CD1 3.64Å; F187-L191 HydrophobicContact CD1-CG 3.88Å; F187-L191 HydrophobicContact CE1-CD1 4.19Å; F187-L191 HydrophobicContact CE1-CD2 4.48Å; F187-L191 HydrophobicContact CE1-CG 4.21Å; F187-L191 WeakPolarHBondContact O-CB 3.49Å; F187-L191 WeakPolarHBondContact O-CD1 3.47Å; F187-L191 VanDerWaalsContact O-CG 3.31Å; F187-L191 WeakPolarHBondContact O-CG 3.37Å; F187-L191 PolarHBondContact O-N 2.63Å; F187-H258 AromaticContact CE1-CE1 3.9Å; F187-H258 AromaticContact CZ-CE1 3.48Å; F187-H258 VanDerWaalsContact CZ-CE1 3.48Å; F187-H258 WeakPolarHBondContact CZ-CE1 3.34Å; F187-H258 AromaticContact CZ-NE2 3.77Å; F187-L259 HydrophobicContact CE1-CB 3.76Å; F187-L259 HydrophobicContact CE1-CD1 4.15Å; F187-L259 HydrophobicContact CZ-CB 4.04Å; F187-L259 HydrophobicContact CZ-CD1 4.05Å; F187-H282 AromaticContact CD1-CD2 3.78Å
188	R	98.8	Very high	98.4	Very high	25 Å²	25	55.6 Å²	55.6	9%	0.094	29%	0.294	C	S	.	.	H	α-helix	trans	-56.6	-50.1	173.4	-75.7	164.8	64.4	77.6	6.5	111.1	W184 L186 D190 L191 V192 L285 I346 R347 L350	W184-R188 HydrophobicContact CD2-CG 3.68Å; W184-R188 VanDerWaalsContact CE2-CG 3.44Å; W184-R188 HydrophobicContact CE3-CG 3.98Å; W184-R188 HydrophobicContact CG-CG 4.28Å; W184-R188 HydrophobicContact CH2-CG 3.88Å; W184-R188 HydrophobicContact CZ2-CG 3.56Å; W184-R188 HydrophobicContact CZ3-CG 4.06Å; W184-R188 WeakPolarHBondContact O-CB 3.5Å; W184-R188 WeakPolarHBondContact O-CD 3.44Å; W184-R188 WeakPolarHBondContact O-CG 3.33Å; W184-R188 PolarHBondContact O-N 2.74Å; L186-R188 VanDerWaalsContact C-N 3.26Å; L186-R188 PolarHBondContact O-N 2.89Å; R188-D190 PolarHBondContact O-N 3.07Å; R188-L191 PolarHBondContact O-N 3.08Å; R188-V192 WeakPolarHBondContact O-CB 3.48Å; R188-V192 VanDerWaalsContact O-CG2 3.3Å; R188-V192 WeakPolarHBondContact O-CG2 3.42Å; R188-V192 PolarHBondContact O-N 2.89Å; R188-L285 HydrophobicContact CB-CD1 3.98Å; R188-L285 HydrophobicContact CG-CD1 3.65Å; R188-I346 PolarHBondContact NH1-O 3.04Å; R188-R347 PolarHBondContact NH2-O 2.9Å; R188-L350 PolarHBondContact NH1-O 3.29Å
189	E	98.8	Very high	98.6	Very high	95 Å²	95	54.7 Å²	54.7	44%	0.444	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-41.7	-178.6	-64.1	-53.2	126.7	0	0	112.1	L186 V192 R193	L186-E189 PolarHBondContact O-N 3.47Å; L186-E189 VanDerWaalsContact O-N 3.13Å; E189-V192 PolarHBondContact O-N 3.27Å; E189-R193 WeakPolarHBondContact O-CB 3.45Å; E189-R193 WeakPolarHBondContact O-CG 3.45Å; E189-R193 PolarHBondContact O-N 3.1Å
190	D	98.8	Very high	98.7	Very high	63 Å²	63	49.1 Å²	49.1	34%	0.337	25%	0.252	S	S	.	.	H	α-helix	trans	-61.8	-44.2	175	-76.6	-32.6	0	0	0	112.6	L186 F187 R188 R193 S194 V260	L186-D190 PolarHBondContact O-N 2.75Å; L186-D190 VanDerWaalsContact O-N 3.15Å; F187-D190 PolarHBondContact O-N 3.17Å; R188-D190 PolarHBondContact O-N 3.07Å; D190-R193 PolarHBondContact O-N 2.77Å; D190-R193 IonicContact OD1-CZ 3.76Å; D190-R193 IonicContact OD1-NE 3.8Å; D190-R193 IonicContact OD1-NH2 2.92Å; D190-R193 PolarHBondContact OD1-NH2 3.48Å; D190-S194 WeakPolarHBondContact O-CB 3.25Å; D190-S194 PolarHBondContact O-N 3.16Å; D190-V260 HydrophobicContact CB-CG1 3.9Å
191	L	98.9	Very high	98.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-41.3	179.1	-72.8	164	0	0	0	111.8	W184 F187 R188 R193 S194 A195 L259 V260 H282 L285	W184-L191 HydrophobicContact CZ3-CD1 4.39Å; F187-L191 HydrophobicContact CD1-CD1 3.64Å; F187-L191 HydrophobicContact CD1-CG 3.88Å; F187-L191 HydrophobicContact CE1-CD1 4.19Å; F187-L191 HydrophobicContact CE1-CD2 4.48Å; F187-L191 HydrophobicContact CE1-CG 4.21Å; F187-L191 WeakPolarHBondContact O-CB 3.49Å; F187-L191 WeakPolarHBondContact O-CD1 3.47Å; F187-L191 VanDerWaalsContact O-CG 3.31Å; F187-L191 WeakPolarHBondContact O-CG 3.37Å; F187-L191 PolarHBondContact O-N 2.63Å; R188-L191 PolarHBondContact O-N 3.08Å; L191-R193 VanDerWaalsContact C-N 3.35Å; L191-R193 PolarHBondContact O-N 3.34Å; L191-S194 PolarHBondContact O-N 2.85Å; L191-A195 WeakPolarHBondContact O-CB 3.47Å; L191-A195 PolarHBondContact O-N 3.39Å; L191-L259 HydrophobicContact CD2-CB 4.4Å; L191-V260 HydrophobicContact CD2-CG1 4.24Å; L191-H282 HydrophobicContact CD1-CB 3.79Å; L191-L285 HydrophobicContact CB-CB 3.64Å; L191-L285 HydrophobicContact CB-CD1 4.44Å; L191-L285 HydrophobicContact CD1-CB 4.07Å; L191-L285 HydrophobicContact CD1-CD1 4.26Å; L191-L285 HydrophobicContact CG-CB 4.44Å
192	V	98.8	Very high	98.7	Very high	32 Å²	32	63.8 Å²	63.8	19%	0.194	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-43.3	175.6	167.9	0	0	0	0	111	R188 E189 A195 A196 R347	R188-V192 WeakPolarHBondContact O-CB 3.48Å; R188-V192 VanDerWaalsContact O-CG2 3.3Å; R188-V192 WeakPolarHBondContact O-CG2 3.42Å; R188-V192 PolarHBondContact O-N 2.89Å; E189-V192 PolarHBondContact O-N 3.27Å; V192-A195 PolarHBondContact O-N 3.38Å; V192-A196 PolarHBondContact O-N 3.28Å; V192-A196 VanDerWaalsContact O-N 3.12Å; V192-R347 VanDerWaalsContact CG1-NH1 3.34Å
193	R	98.8	Very high	98.8	Very high	132 Å²	132	63.7 Å²	63.7	50%	0.498	31%	0.308	S	S	.	.	H	α-helix	trans	-60.7	-44.2	173.1	-77.3	-171.5	-70.1	-88.9	5.3	111.9	E189 D190 L191 A196 Q197	E189-R193 WeakPolarHBondContact O-CB 3.45Å; E189-R193 WeakPolarHBondContact O-CG 3.45Å; E189-R193 PolarHBondContact O-N 3.1Å; D190-R193 PolarHBondContact O-N 2.77Å; D190-R193 IonicContact OD1-CZ 3.76Å; D190-R193 IonicContact OD1-NE 3.8Å; D190-R193 IonicContact OD1-NH2 2.92Å; D190-R193 PolarHBondContact OD1-NH2 3.48Å; L191-R193 VanDerWaalsContact C-N 3.35Å; L191-R193 PolarHBondContact O-N 3.34Å; R193-A196 PolarHBondContact O-N 3.39Å; R193-Q197 PolarHBondContact O-N 2.73Å
194	S	98.8	Very high	98.8	Very high	8 Å²	8	62.9 Å²	62.9	6%	0.056	31%	0.311	C	S	.	.	H	α-helix	trans	-64.7	-41.3	177.5	-174.8	0	0	0	0	112.3	D190 L191 A196 Q197 W198 V260 C263	D190-S194 WeakPolarHBondContact O-CB 3.25Å; D190-S194 PolarHBondContact O-N 3.16Å; L191-S194 PolarHBondContact O-N 2.85Å; S194-A196 VanDerWaalsContact C-N 3.28Å; S194-A196 PolarHBondContact O-N 2.73Å; S194-Q197 WeakPolarHBondContact O-CB 3.32Å; S194-Q197 PolarHBondContact O-N 2.89Å; S194-Q197 VanDerWaalsContact O-N 3.07Å; S194-W198 PolarHBondContact O-N 2.91Å; S194-V260 PolarHBondContact OG-O 3.1Å; S194-C263 WeakPolarHBondContact OG-CB 3.49Å
195	A	98.8	Very high	98.8	Very high	20 Å²	20	65.1 Å²	65.1	17%	0.165	33%	0.327	C	S	.	.	H	α-helix	trans	-58.6	-40.6	176	0	0	0	0	0	112.1	L191 V192 Q197 W198 L285 C286	L191-A195 WeakPolarHBondContact O-CB 3.47Å; L191-A195 PolarHBondContact O-N 3.39Å; V192-A195 PolarHBondContact O-N 3.38Å; A195-Q197 VanDerWaalsContact C-N 3.29Å; A195-Q197 PolarHBondContact O-N 3.11Å; A195-W198 CarbonylContact O-C 3.57Å; A195-W198 PolarHBondContact O-N 3.09Å; A195-W198 VanDerWaalsContact O-N 3.07Å; A195-L285 VanDerWaalsContact CB-O 3.31Å; A195-L285 WeakPolarHBondContact CB-O 3.41Å; A195-C286 VanDerWaalsContact CB-C 3.49Å; A195-C286 WeakPolarHBondContact CB-O 3.32Å
196	A	98.7	Very high	98.8	Very high	82 Å²	82	64.2 Å²	64.2	68%	0.678	32%	0.323	S	S	*	.	H	α-helix	trans	-63.8	-31.7	176.1	0	0	0	0	0	113.1	V192 R193 S194 W198	V192-A196 PolarHBondContact O-N 3.28Å; V192-A196 VanDerWaalsContact O-N 3.12Å; R193-A196 PolarHBondContact O-N 3.39Å; S194-A196 VanDerWaalsContact C-N 3.28Å; S194-A196 PolarHBondContact O-N 2.73Å; A196-W198 VanDerWaalsContact C-N 3.29Å
197	Q	98.8	Very high	98.8	Very high	133 Å²	133	60 Å²	60	62%	0.621	30%	0.301	S	S	*	.	H	α-helix	trans	-70.8	-27	173.6	-63.3	175.4	17.2	0	0	112.5	R193 S194 A195 P199	R193-Q197 PolarHBondContact O-N 2.73Å; S194-Q197 WeakPolarHBondContact O-CB 3.32Å; S194-Q197 PolarHBondContact O-N 2.89Å; S194-Q197 VanDerWaalsContact O-N 3.07Å; A195-Q197 VanDerWaalsContact C-N 3.29Å; A195-Q197 PolarHBondContact O-N 3.11Å; Q197-P199 VanDerWaalsContact O-CD 3.23Å; Q197-P199 WeakPolarHBondContact O-CD 3.27Å
198	W	98.8	Very high	98.8	Very high	90 Å²	90	59.8 Å²	59.8	34%	0.341	30%	0.3	S	S	.	.	S	Bend	trans	-118.7	66.6	-175.3	-64.5	105.4	0	0	0	112	S194 A195 A196 K203 C263 K264	S194-W198 PolarHBondContact O-N 2.91Å; A195-W198 CarbonylContact O-C 3.57Å; A195-W198 PolarHBondContact O-N 3.09Å; A195-W198 VanDerWaalsContact O-N 3.07Å; A196-W198 VanDerWaalsContact C-N 3.29Å; W198-K203 HydrophobicContact CB-CG 4.23Å; W198-K203 WeakPolarHBondContact O-CE 3.29Å; W198-K203 WeakPolarHBondContact O-CG 3.36Å; W198-K203 PolarHBondContact O-NZ 2.71Å; W198-C263 WeakPolarHBondContact CB-O 3.49Å; W198-K264 HydrophobicContact CD2-CB 3.46Å; W198-K264 VanDerWaalsContact CD2-CB 3.46Å; W198-K264 VanDerWaalsContact CE2-CB 3.46Å; W198-K264 HydrophobicContact CE3-CB 3.74Å; W198-K264 HydrophobicContact CG-CB 3.97Å; W198-K264 HydrophobicContact CH2-CB 4.02Å; W198-K264 HydrophobicContact CZ2-CB 3.76Å; W198-K264 HydrophobicContact CZ2-CD 4.43Å; W198-K264 HydrophobicContact CZ3-CB 4.01Å
199	P	98.8	Very high	98.8	Very high	59 Å²	59	58.7 Å²	58.7	38%	0.383	30%	0.296	S	S	.	.			trans	-59.4	150.8	175.4	27.3	-35.6	0	0	0	110.8	Q197 K201 K202 K203	Q197-P199 VanDerWaalsContact O-CD 3.23Å; Q197-P199 WeakPolarHBondContact O-CD 3.27Å; P199-K201 VanDerWaalsContact C-N 3.31Å; P199-K201 PolarHBondContact O-N 3Å; P199-K202 HydrophobicContact CG-CB 4.2Å; P199-K202 HydrophobicContact CG-CD 3.78Å; P199-K202 HydrophobicContact CG-CG 3.94Å; P199-K202 WeakPolarHBondContact O-CA 3.17Å; P199-K202 WeakPolarHBondContact O-CB 3.31Å; P199-K202 PolarHBondContact O-N 2.78Å; P199-K203 PolarHBondContact O-N 2.99Å
200	W	98.9	Very high	98.8	Very high	15 Å²	15	55.3 Å²	55.3	6%	0.057	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-42.9	-49.9	-169.9	179.6	-101.3	0	0	0	114.9	K202 K203 K266 Y267 L289 D332 A335 Q336 A339	W200-K202 PolarHBondContact O-N 3.06Å; W200-K203 HydrophobicContact CE3-CD 4.43Å; W200-K203 WeakPolarHBondContact O-CB 3.12Å; W200-K203 PolarHBondContact O-N 2.9Å; W200-K203 VanDerWaalsContact O-N 3.13Å; W200-K266 HydrophobicContact CH2-CB 4.46Å; W200-K266 HydrophobicContact CH2-CD 4.37Å; W200-K266 HydrophobicContact CH2-CG 4.45Å; W200-K266 HydrophobicContact CZ2-CD 3.96Å; W200-K266 HydrophobicContact CZ2-CG 4.47Å; W200-K266 VanDerWaalsContact O-CE 3.23Å; W200-K266 WeakPolarHBondContact O-CE 3.37Å; W200-Y267 HydrophobicContact CH2-CE1 4.39Å; W200-L289 HydrophobicContact CH2-CB 3.92Å; W200-L289 HydrophobicContact CZ3-CB 4.09Å; W200-D332 PolarHBondContact NE1-OD1 3.49Å; W200-D332 PolarHBondContact NE1-OD2 2.77Å; W200-A335 HydrophobicContact CH2-CB 4.07Å; W200-A335 HydrophobicContact CZ2-CB 3.88Å; W200-Q336 HydrophobicContact CB-CG 4.06Å; W200-Q336 HydrophobicContact CD2-CB 3.85Å; W200-Q336 HydrophobicContact CD2-CG 3.76Å; W200-Q336 HydrophobicContact CE3-CB 4.43Å; W200-Q336 HydrophobicContact CE3-CG 4.27Å; W200-Q336 HydrophobicContact CG-CB 4.06Å; W200-Q336 HydrophobicContact CG-CG 3.62Å; W200-Q336 HydrophobicContact CZ2-CB 4.09Å; W200-A339 HydrophobicContact CE3-CB 4.34Å; W200-A339 HydrophobicContact CH2-CB 4.41Å; W200-A339 HydrophobicContact CZ3-CB 3.72Å
201	K	98.7	Very high	98.8	Very high	184 Å²	184	52.5 Å²	52.5	80%	0.8	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-64.8	-20.4	-178.6	-65.7	-173.3	178.4	-178	0	114.4	P199	P199-K201 VanDerWaalsContact C-N 3.31Å; P199-K201 PolarHBondContact O-N 3Å
202	K	98.8	Very high	98.8	Very high	149 Å²	149	53.3 Å²	53.3	65%	0.648	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-92	-13.7	176.9	-67.7	-171.4	-177.1	178.4	0	113.5	P199 W200	P199-K202 HydrophobicContact CG-CB 4.2Å; P199-K202 HydrophobicContact CG-CD 3.78Å; P199-K202 HydrophobicContact CG-CG 3.94Å; P199-K202 WeakPolarHBondContact O-CA 3.17Å; P199-K202 WeakPolarHBondContact O-CB 3.31Å; P199-K202 PolarHBondContact O-N 2.78Å; W200-K202 PolarHBondContact O-N 3.06Å
203	K	98.9	Very high	98.8	Very high	10 Å²	10	55 Å²	55	4%	0.043	27%	0.273	C	S	.	.	S	Bend	trans	-70.8	144.4	-178.5	-64.8	-176.8	-171.5	-59.8	0	111.2	W198 P199 W200 C263 K264 K266 C286 G287	W198-K203 HydrophobicContact CB-CG 4.23Å; W198-K203 WeakPolarHBondContact O-CE 3.29Å; W198-K203 WeakPolarHBondContact O-CG 3.36Å; W198-K203 PolarHBondContact O-NZ 2.71Å; P199-K203 PolarHBondContact O-N 2.99Å; W200-K203 HydrophobicContact CE3-CD 4.43Å; W200-K203 WeakPolarHBondContact O-CB 3.12Å; W200-K203 PolarHBondContact O-N 2.9Å; W200-K203 VanDerWaalsContact O-N 3.13Å; K203-C263 PolarHBondContact NZ-O 3.1Å; K203-K264 CarbonylContact C-O 3.51Å; K203-K264 VanDerWaalsContact CA-O 3.27Å; K203-K264 WeakPolarHBondContact CA-O 3.28Å; K203-K266 HydrophobicContact CB-CB 4.31Å; K203-K266 HydrophobicContact CB-CG 3.44Å; K203-K266 VanDerWaalsContact CB-CG 3.44Å; K203-K266 HydrophobicContact CD-CG 4.34Å; K203-C286 PolarHBondContact NZ-O 3.43Å; K203-G287 WeakPolarHBondContact CE-O 3.3Å
204	N	98.8	Very high	98.8	Very high	78 Å²	78	51.1 Å²	51.1	42%	0.417	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-70.5	131.7	177.4	-174.4	-22.4	0	0	0	111.3	T206 K264 Y265 K266	N204-T206 VanDerWaalsContact C-N 3.3Å; N204-T206 PolarHBondContact O-N 3.19Å; N204-T206 WeakPolarHBondContact OD1-CB 3.29Å; N204-T206 PolarHBondContact OD1-N 3.27Å; N204-T206 PolarHBondContact OD1-OG1 3.48Å; N204-K264 PolarHBondContact N-O 3.38Å; N204-Y265 HydrophobicContact CB-CD1 4Å; N204-Y265 HydrophobicContact CB-CE1 4.46Å; N204-K266 PolarHBondContact O-N 3.05Å
205	S	98.8	Very high	98.8	Very high	49 Å²	49	51.1 Å²	51.1	34%	0.343	26%	0.264	S	S	.	.	S	Bend	trans	-83	7.3	179.8	-54.2	0	0	0	0	115.1	Y267 K329	S205-Y267 VanDerWaalsContact O-CE2 3.25Å; S205-Y267 WeakPolarHBondContact O-CE2 3.15Å; S205-K329 VanDerWaalsContact O-CE 3.24Å; S205-K329 WeakPolarHBondContact O-CE 3.28Å; S205-K329 PolarHBondContact O-NZ 2.61Å
206	T	98.9	Very high	98.8	Very high	22 Å²	22	54.2 Å²	54.2	14%	0.135	28%	0.282	C	S	.	.	S	Bend	trans	-79.9	127.6	164.3	-61.9	0	0	0	0	108.6	N204 K230 D233 Y265	N204-T206 VanDerWaalsContact C-N 3.3Å; N204-T206 PolarHBondContact O-N 3.19Å; N204-T206 WeakPolarHBondContact OD1-CB 3.29Å; N204-T206 PolarHBondContact OD1-N 3.27Å; N204-T206 PolarHBondContact OD1-OG1 3.48Å; T206-K230 PolarHBondContact OG1-O 3.34Å; T206-D233 HydrophobicContact CG2-CB 3.71Å; T206-Y265 WeakPolarHBondContact O-CD1 3.33Å
207	A	98.9	Very high	98.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	148.3	176.2	0	0	0	0	0	111.3	L231 V232 D233 Y267 F269 L325	A207-L231 PolarHBondContact N-O 2.05Å; A207-V232 HydrophobicContact CB-CG1 4.3Å; A207-V232 HydrophobicContact CB-CG2 4.25Å; A207-V232 CarbonylContact O-C 3.53Å; A207-V232 WeakPolarHBondContact O-CA 3.42Å; A207-D233 PolarHBondContact O-N 3.09Å; A207-Y267 CarbonylContact C-O 3.52Å; A207-Y267 WeakPolarHBondContact CA-O 3.43Å; A207-F269 HydrophobicContact CB-CD2 4.05Å; A207-F269 HydrophobicContact CB-CE2 3.57Å; A207-L325 HydrophobicContact CB-CD1 4.36Å; A207-L325 HydrophobicContact CB-CD2 3.9Å
208	Y	98.9	Very high	98.8	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.035	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.6	-169.7	-166.6	-105.9	0	0	0	114.4	R210 D233 H262 Y265 Y267 L268 F269	Y208-R210 HydrophobicContact CE1-CB 4.42Å; Y208-R210 HydrophobicContact CE1-CG 3.88Å; Y208-R210 HydrophobicContact CE2-CG 4.35Å; Y208-R210 VanDerWaalsContact CE2-NH1 3.34Å; Y208-R210 WeakPolarHBondContact OH-CG 3.37Å; Y208-D233 WeakPolarHBondContact CA-O 3.37Å; Y208-D233 HydrophobicContact CD2-CB 3.96Å; Y208-D233 WeakPolarHBondContact CD2-O 3.46Å; Y208-D233 HydrophobicContact CE2-CB 4.44Å; Y208-D233 WeakPolarHBondContact CE2-OD2 3.15Å; Y208-H262 HydrophobicContact CD1-CB 4.48Å; Y208-H262 AromaticContact CD1-CD2 3.67Å; Y208-H262 AromaticContact CE1-CD2 3.65Å; Y208-H262 AromaticContact CE1-CE1 3.99Å; Y208-H262 AromaticContact CE1-CG 3.92Å; Y208-H262 AromaticContact CE1-NE2 3.71Å; Y208-Y265 VanDerWaalsContact CB-CG 3.5Å; Y208-Y265 AromaticContact CD1-CD2 3.78Å; Y208-Y265 HydrophobicContact CD1-CD2 3.78Å; Y208-Y265 AromaticContact CD1-CE2 3.88Å; Y208-Y265 HydrophobicContact CD1-CE2 3.88Å; Y208-Y265 HydrophobicContact CD1-CG 4.41Å; Y208-Y265 AromaticContact CD2-CD1 3.98Å; Y208-Y265 HydrophobicContact CD2-CD1 3.98Å; Y208-Y265 AromaticContact CD2-CD2 3.83Å; Y208-Y265 HydrophobicContact CD2-CD2 3.83Å; Y208-Y265 AromaticContact CD2-CE1 3.56Å; Y208-Y265 HydrophobicContact CD2-CE1 3.56Å; Y208-Y265 AromaticContact CD2-CE2 3.41Å; Y208-Y265 HydrophobicContact CD2-CE2 3.41Å; Y208-Y265 VanDerWaalsContact CD2-CE2 3.41Å; Y208-Y265 HydrophobicContact CD2-CG 4.09Å; Y208-Y265 AromaticContact CD2-CZ 3.25Å; Y208-Y265 HydrophobicContact CE1-CD2 4.29Å; Y208-Y265 AromaticContact CE1-CE2 3.98Å; Y208-Y265 HydrophobicContact CE1-CE2 3.98Å; Y208-Y265 HydrophobicContact CE2-CD2 4.32Å; Y208-Y265 HydrophobicContact CE2-CE1 4.15Å; Y208-Y265 AromaticContact CE2-CE2 3.52Å; Y208-Y265 HydrophobicContact CE2-CE2 3.52Å; Y208-Y265 AromaticContact CE2-CZ 3.41Å; Y208-Y265 VanDerWaalsContact CE2-CZ 3.41Å; Y208-Y265 VanDerWaalsContact CE2-OH 3.29Å; Y208-Y265 WeakPolarHBondContact CE2-OH 3.29Å; Y208-Y265 HydrophobicContact CG-CD1 4.06Å; Y208-Y265 AromaticContact CG-CD2 3.51Å; Y208-Y265 HydrophobicContact CG-CD2 3.51Å; Y208-Y265 HydrophobicContact CG-CE1 4.1Å; Y208-Y265 AromaticContact CG-CE2 3.58Å; Y208-Y265 HydrophobicContact CG-CE2 3.58Å; Y208-Y265 AromaticContact CG-CG 3.76Å; Y208-Y265 HydrophobicContact CG-CG 3.76Å; Y208-Y265 AromaticContact CG-CZ 3.87Å; Y208-Y265 AromaticContact CZ-CE2 3.79Å; Y208-Y267 PolarHBondContact N-O 2.96Å; Y208-L268 HydrophobicContact CD1-CD2 4.34Å; Y208-F269 PolarHBondContact O-N 3.3Å
209	F	98.9	Very high	98.8	Very high	3 Å²	3	43.3 Å²	43.3	1%	0.013	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	134.3	168.8	177.4	-94.2	0	0	0	111.6	L221 I222 D233 A234 E235 F269 F271	F209-L221 HydrophobicContact CB-CD2 4.03Å; F209-L221 HydrophobicContact CG-CD2 4.48Å; F209-I222 HydrophobicContact CD1-CD1 4.01Å; F209-I222 HydrophobicContact CE1-CD1 4.35Å; F209-D233 PolarHBondContact N-O 3.31Å; F209-A234 HydrophobicContact CB-CB 3.82Å; F209-A234 HydrophobicContact CD1-CB 4.48Å; F209-A234 WeakPolarHBondContact O-CA 3.32Å; F209-E235 PolarHBondContact O-N 3.21Å; F209-F269 HydrophobicContact CB-CB 4.4Å; F209-F269 HydrophobicContact CD2-CB 4.46Å; F209-F271 HydrophobicContact CD2-CD2 4.15Å; F209-F271 HydrophobicContact CD2-CE2 4.31Å; F209-F271 AromaticContact CE2-CD2 3.96Å; F209-F271 HydrophobicContact CE2-CD2 3.96Å; F209-F271 HydrophobicContact CE2-CE2 4.5Å
210	R	98.9	Very high	98.8	Very high	24 Å²	24	43 Å²	43	9%	0.091	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	128.5	162.3	-72.5	-64.1	-178.6	-75.8	5.6	109.9	Y208 D233 E235 T237 V257 R279	Y208-R210 HydrophobicContact CE1-CB 4.42Å; Y208-R210 HydrophobicContact CE1-CG 3.88Å; Y208-R210 HydrophobicContact CE2-CG 4.35Å; Y208-R210 VanDerWaalsContact CE2-NH1 3.34Å; Y208-R210 WeakPolarHBondContact OH-CG 3.37Å; R210-D233 IonicContact CZ-OD1 2.77Å; R210-D233 PolarHBondContact NH1-O 3Å; R210-D233 VanDerWaalsContact NH1-O 3.16Å; R210-D233 IonicContact NH1-OD1 3.38Å; R210-D233 PolarHBondContact NH1-OD1 2.73Å; R210-D233 IonicContact NH2-OD1 3Å; R210-D233 PolarHBondContact NH2-OD1 3.27Å; R210-D233 IonicContact NH2-OD2 3.37Å; R210-E235 IonicContact CZ-OE2 2.7Å; R210-E235 VanDerWaalsContact CZ-OE2 3.29Å; R210-E235 IonicContact NE-OE2 3.67Å; R210-E235 PolarHBondContact NE-OE2 3.24Å; R210-E235 IonicContact NH2-OE1 3.29Å; R210-E235 IonicContact NH2-OE2 2.76Å; R210-E235 PolarHBondContact NH2-OE2 3.44Å; R210-T237 HydrophobicContact CB-CG2 4.33Å; R210-V257 HydrophobicContact CB-CB 4.49Å; R210-V257 HydrophobicContact CG-CB 4.25Å; R210-V257 HydrophobicContact CG-CG2 4.03Å; R210-R279 PolarHBondContact O-NH2 3.33Å
211	G	98.6	Very high	98.8	Very high	4 Å²	4	42.3 Å²	42.3	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.1	165.7	175.8	0	0	0	0	0	111.5	Y236 T237	G211-Y236 WeakPolarHBondContact O-CA 3.2Å; G211-Y236 WeakPolarHBondContact O-CD1 3.15Å; G211-T237 PolarHBondContact O-N 3.08Å; G211-T237 VanDerWaalsContact O-N 3.09Å
212	S	98.6	Very high	98.8	Very high	16 Å²	16	33.7 Å²	33.7	11%	0.112	18%	0.18	C	C	.	.			trans	-79.4	167.6	-179.3	68.5	0	0	0	0	113.9	T214 R218 T237 N239	S212-T214 VanDerWaalsContact C-N 3.32Å; S212-T214 PolarHBondContact O-N 3.24Å; S212-T214 WeakPolarHBondContact OG-CG2 3.39Å; S212-R218 PolarHBondContact O-NH1 3.06Å; S212-T237 WeakPolarHBondContact CA-O 3.09Å; S212-T237 WeakPolarHBondContact CB-O 3.28Å; S212-T237 PolarHBondContact N-OG1 2.98Å; S212-N239 WeakPolarHBondContact CB-ND2 3.03Å; S212-N239 PolarHBondContact OG-ND2 2.99Å
213	R	98.6	Very high	98.8	Very high	68 Å²	68	30.8 Å²	30.8	26%	0.257	17%	0.171	S	C	.	.			trans	-80	66.5	177.7	-167.9	169.3	-176.3	-96.1	-2.2	113.2	D219 Y236 D247	R213-D219 IonicContact CZ-OD1 2.94Å; R213-D219 IonicContact CZ-OD2 3.66Å; R213-D219 IonicContact NE-OD1 3.59Å; R213-D219 PolarHBondContact NE-OD1 2.78Å; R213-D219 IonicContact NE-OD2 2.79Å; R213-D219 PolarHBondContact NE-OD2 3.32Å; R213-D219 IonicContact NH2-OD1 2.72Å; R213-D219 IonicContact NH2-OD2 3.7Å; R213-D219 PolarHBondContact NH2-OD2 2.86Å; R213-Y236 VanDerWaalsContact CA-CE1 3.47Å; R213-Y236 HydrophobicContact CB-CD1 3.8Å; R213-Y236 HydrophobicContact CB-CD2 4.23Å; R213-Y236 HydrophobicContact CB-CE1 3.59Å; R213-Y236 HydrophobicContact CB-CE2 4Å; R213-Y236 HydrophobicContact CB-CG 4.14Å; R213-Y236 HydrophobicContact CG-CE1 3.95Å; R213-Y236 HydrophobicContact CG-CE2 3.85Å; R213-D247 WeakPolarHBondContact CB-O 3.48Å
214	T	98.3	Very high	98.8	Very high	51 Å²	51	31.1 Å²	31.1	31%	0.313	17%	0.173	S	C	.	.	S	Bend	trans	-83.6	-9.7	176.5	51.2	0	0	0	0	114.1	S212 R218 G273	S212-T214 VanDerWaalsContact C-N 3.32Å; S212-T214 PolarHBondContact O-N 3.24Å; S212-T214 WeakPolarHBondContact OG-CG2 3.39Å; T214-R218 PolarHBondContact OG1-NH1 3.24Å; T214-R218 PolarHBondContact OG1-NH2 3.39Å; T214-R218 VanDerWaalsContact OG1-NH2 3.1Å; T214-G273 CarbonylContact O-C 3.59Å; T214-G273 WeakPolarHBondContact OG1-CA 3.47Å
215	S	98.6	Very high	98.8	Very high	7 Å²	7	27.9 Å²	27.9	5%	0.049	16%	0.156	C	C	.	.	S	Bend	trans	-147.5	138.4	169.1	172.6	0	0	0	0	108.7	E217 R218	S215-E217 PolarHBondContact O-N 3.15Å; S215-E217 PolarHBondContact OG-N 3.29Å; S215-R218 PolarHBondContact O-N 3.4Å
216	P	98.5	Very high	98.8	Very high	85 Å²	85	30 Å²	30	55%	0.552	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-61.6	-20	172.3	-21.8	33.8	0	0	0	114.1	R218 D219	P216-R218 PolarHBondContact O-N 3.07Å; P216-D219 WeakPolarHBondContact O-CB 3.06Å; P216-D219 VanDerWaalsContact O-CG 3.24Å; P216-D219 PolarHBondContact O-N 3.34Å
217	E	98.8	Very high	98.8	Very high	50 Å²	50	37.4 Å²	37.4	23%	0.234	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-60.1	-16.6	176.5	-70.7	171.3	-147.2	0	0	113.3	S215 P220 F271 R272 T316	S215-E217 PolarHBondContact O-N 3.15Å; S215-E217 PolarHBondContact OG-N 3.29Å; E217-P220 WeakPolarHBondContact O-CD 3.46Å; E217-F271 WeakPolarHBondContact O-CE1 3.46Å; E217-R272 WeakPolarHBondContact OE1-CD 3.44Å; E217-R272 IonicContact OE1-NH1 3.36Å; E217-R272 VanDerWaalsContact OE2-CD 3.24Å; E217-R272 WeakPolarHBondContact OE2-CD 3.15Å; E217-R272 VanDerWaalsContact OE2-CG 3.28Å; E217-R272 WeakPolarHBondContact OE2-CG 3.13Å; E217-T316 HydrophobicContact CG-CG2 4.17Å
218	R	98.9	Very high	98.7	Very high	6 Å²	6	40.6 Å²	40.6	2%	0.023	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-78.2	-21.2	173.6	-66.3	171.8	-172.4	-165.2	-1.8	112.9	S212 T214 S215 P216 P220 L221 I222 Y236 F271 R272	S212-R218 PolarHBondContact O-NH1 3.06Å; T214-R218 PolarHBondContact OG1-NH1 3.24Å; T214-R218 PolarHBondContact OG1-NH2 3.39Å; T214-R218 VanDerWaalsContact OG1-NH2 3.1Å; S215-R218 PolarHBondContact O-N 3.4Å; P216-R218 PolarHBondContact O-N 3.07Å; R218-P220 VanDerWaalsContact C-CD 3.49Å; R218-L221 PolarHBondContact O-N 3.21Å; R218-I222 PolarHBondContact O-N 2.92Å; R218-Y236 VanDerWaalsContact C-OH 3.29Å; R218-Y236 HydrophobicContact CB-CE1 3.9Å; R218-Y236 WeakPolarHBondContact CB-OH 3.29Å; R218-F271 HydrophobicContact CB-CD1 4.47Å; R218-F271 HydrophobicContact CG-CB 3.69Å; R218-F271 HydrophobicContact CG-CD1 3.81Å; R218-F271 HydrophobicContact CG-CD2 4.1Å; R218-F271 HydrophobicContact CG-CE1 4.4Å; R218-F271 HydrophobicContact CG-CG 3.64Å; R218-R272 VanDerWaalsContact CZ-O 3.28Å; R218-R272 PolarHBondContact NE-O 2.82Å; R218-R272 PolarHBondContact NH2-O 3.07Å
219	D	98.8	Very high	98.7	Very high	21 Å²	21	44.4 Å²	44.4	11%	0.112	23%	0.23	C	C	.	.	H	α-helix	trans	-57.4	-43.8	-172.3	-69.5	-18.5	0	0	0	113.8	R213 P216 L221 I222 L223 Y236 L249	R213-D219 IonicContact CZ-OD1 2.94Å; R213-D219 IonicContact CZ-OD2 3.66Å; R213-D219 IonicContact NE-OD1 3.59Å; R213-D219 PolarHBondContact NE-OD1 2.78Å; R213-D219 IonicContact NE-OD2 2.79Å; R213-D219 PolarHBondContact NE-OD2 3.32Å; R213-D219 IonicContact NH2-OD1 2.72Å; R213-D219 IonicContact NH2-OD2 3.7Å; R213-D219 PolarHBondContact NH2-OD2 2.86Å; P216-D219 WeakPolarHBondContact O-CB 3.06Å; P216-D219 VanDerWaalsContact O-CG 3.24Å; P216-D219 PolarHBondContact O-N 3.34Å; D219-L221 PolarHBondContact O-N 2.9Å; D219-I222 PolarHBondContact O-N 3.5Å; D219-I222 VanDerWaalsContact O-N 3.12Å; D219-L223 WeakPolarHBondContact O-CG 3.31Å; D219-L223 PolarHBondContact O-N 3.41Å; D219-Y236 WeakPolarHBondContact CA-OH 3.42Å; D219-Y236 PolarHBondContact N-OH 3.32Å; D219-Y236 VanDerWaalsContact N-OH 3.13Å; D219-Y236 VanDerWaalsContact OD1-CE2 3.31Å; D219-Y236 WeakPolarHBondContact OD1-CE2 3.14Å; D219-Y236 VanDerWaalsContact OD1-CZ 3.32Å; D219-Y236 PolarHBondContact OD1-OH 2.52Å; D219-L249 HydrophobicContact CB-CD2 4.28Å
220	P	98.9	Very high	98.7	Very high	52 Å²	52	52.8 Å²	52.8	34%	0.338	27%	0.267	S	S	.	.	H	α-helix	trans	-60.3	-32.9	-177.8	-23.6	34.9	0	0	0	112.8	E217 R218 L224 L318	E217-P220 WeakPolarHBondContact O-CD 3.46Å; R218-P220 VanDerWaalsContact C-CD 3.49Å; P220-L224 VanDerWaalsContact O-CB 3.28Å; P220-L224 WeakPolarHBondContact O-CB 3.2Å; P220-L224 PolarHBondContact O-N 3.41Å; P220-L318 HydrophobicContact CB-CB 4.04Å; P220-L318 HydrophobicContact CB-CD2 4.04Å
221	L	98.9	Very high	98.6	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-70.6	-41.6	177	-166.1	67.5	0	0	0	111.9	F209 R218 D219 L223 L224 S225 V232 A234 F269 F271 L318 V321	F209-L221 HydrophobicContact CB-CD2 4.03Å; F209-L221 HydrophobicContact CG-CD2 4.48Å; R218-L221 PolarHBondContact O-N 3.21Å; D219-L221 PolarHBondContact O-N 2.9Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L224 PolarHBondContact O-N 3.37Å; L221-S225 PolarHBondContact O-N 3.24Å; L221-V232 HydrophobicContact CD1-CG1 3.78Å; L221-V232 HydrophobicContact CD1-CG2 4.27Å; L221-V232 HydrophobicContact CD2-CG1 4.46Å; L221-V232 HydrophobicContact CG-CG1 3.94Å; L221-A234 HydrophobicContact CD2-CB 3.95Å; L221-A234 HydrophobicContact CG-CB 3.89Å; L221-F269 HydrophobicContact CD1-CD1 4.12Å; L221-F269 HydrophobicContact CD1-CE1 3.91Å; L221-F269 HydrophobicContact CD1-CE2 4.43Å; L221-F269 HydrophobicContact CD1-CG 4.45Å; L221-F269 HydrophobicContact CD1-CZ 4.08Å; L221-F269 HydrophobicContact CD2-CB 3.78Å; L221-F269 HydrophobicContact CD2-CD1 3.73Å; L221-F269 HydrophobicContact CD2-CD2 4.16Å; L221-F269 HydrophobicContact CD2-CE1 4.37Å; L221-F269 HydrophobicContact CD2-CG 3.6Å; L221-F271 HydrophobicContact CB-CE2 4.41Å; L221-F271 HydrophobicContact CB-CZ 3.8Å; L221-F271 HydrophobicContact CD2-CE2 3.49Å; L221-F271 VanDerWaalsContact CD2-CE2 3.49Å; L221-F271 HydrophobicContact CD2-CZ 3.64Å; L221-F271 HydrophobicContact CG-CZ 4.27Å; L221-L318 HydrophobicContact CB-CD2 3.57Å; L221-L318 HydrophobicContact CD1-CD2 4.01Å; L221-L318 HydrophobicContact CG-CD2 4.36Å; L221-V321 HydrophobicContact CD1-CG2 4.46Å
222	I	98.9	Very high	98.6	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-42.3	177.2	-55	-50	0	0	0	110.2	F209 R218 D219 S225 R226 A234 Y236	F209-I222 HydrophobicContact CD1-CD1 4.01Å; F209-I222 HydrophobicContact CE1-CD1 4.35Å; R218-I222 PolarHBondContact O-N 2.92Å; D219-I222 PolarHBondContact O-N 3.5Å; D219-I222 VanDerWaalsContact O-N 3.12Å; I222-S225 PolarHBondContact O-N 3.34Å; I222-R226 VanDerWaalsContact O-CG 3.29Å; I222-R226 WeakPolarHBondContact O-CG 3.32Å; I222-R226 PolarHBondContact O-N 2.87Å; I222-A234 VanDerWaalsContact CD1-C 3.49Å; I222-A234 HydrophobicContact CD1-CB 3.74Å; I222-A234 WeakPolarHBondContact CD1-O 3.4Å; I222-Y236 HydrophobicContact CB-CD2 4.4Å; I222-Y236 HydrophobicContact CB-CE2 4.14Å; I222-Y236 HydrophobicContact CD1-CD1 4.4Å; I222-Y236 HydrophobicContact CD1-CE1 4.37Å; I222-Y236 HydrophobicContact CG1-CD1 4.21Å; I222-Y236 HydrophobicContact CG1-CD2 3.86Å; I222-Y236 HydrophobicContact CG1-CE1 3.9Å; I222-Y236 HydrophobicContact CG1-CE2 3.55Å; I222-Y236 HydrophobicContact CG1-CG 4.17Å; I222-Y236 HydrophobicContact CG2-CD2 4.06Å; I222-Y236 HydrophobicContact CG2-CE2 4.25Å
223	L	98.8	Very high	98.7	Very high	89 Å²	89	53.5 Å²	53.5	47%	0.466	27%	0.27	S	S	.	.	H	α-helix	trans	-65.4	-39.9	175.5	-67.5	174.8	0	0	0	111.8	D219 L221 R226 K227 L249	D219-L223 WeakPolarHBondContact O-CG 3.31Å; D219-L223 PolarHBondContact O-N 3.41Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L223-R226 PolarHBondContact O-N 2.02Å; L223-K227 WeakPolarHBondContact O-CB 3.23Å; L223-K227 PolarHBondContact O-N 3.04Å; L223-L249 HydrophobicContact CD1-CD2 4.33Å; L223-L249 HydrophobicContact CD2-CD2 3.61Å; L223-L249 HydrophobicContact CG-CD2 3.77Å
224	L	98.8	Very high	98.7	Very high	17 Å²	17	50.3 Å²	50.3	9%	0.089	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-42.5	173.9	179.1	59.8	0	0	0	111.7	P220 L221 K227 N228 L231 V232 V321 Q322	P220-L224 VanDerWaalsContact O-CB 3.28Å; P220-L224 WeakPolarHBondContact O-CB 3.2Å; P220-L224 PolarHBondContact O-N 3.41Å; L221-L224 PolarHBondContact O-N 3.37Å; L224-K227 PolarHBondContact O-N 2.84Å; L224-N228 PolarHBondContact O-N 2.81Å; L224-L231 HydrophobicContact CD1-CD2 4.41Å; L224-L231 HydrophobicContact CD2-CD2 4.46Å; L224-V232 HydrophobicContact CD2-CG2 3.85Å; L224-V232 HydrophobicContact CG-CG2 4.05Å; L224-V321 HydrophobicContact CD2-CG1 3.67Å; L224-Q322 HydrophobicContact CD1-CG 4.11Å; L224-Q322 HydrophobicContact CD2-CG 3.94Å
225	S	98.9	Very high	98.7	Very high	9 Å²	9	52 Å²	52	6%	0.063	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-44.2	175.9	179.5	0	0	0	0	112	L221 I222 K227 N228 P229 V232 A234	L221-S225 PolarHBondContact O-N 3.24Å; I222-S225 PolarHBondContact O-N 3.34Å; S225-K227 VanDerWaalsContact C-N 3.27Å; S225-K227 PolarHBondContact O-N 2.88Å; S225-N228 CarbonylContact O-C 3.29Å; S225-N228 VanDerWaalsContact O-C 3.29Å; S225-N228 PolarHBondContact O-N 3.02Å; S225-P229 VanDerWaalsContact O-CA 3.23Å; S225-P229 WeakPolarHBondContact O-CA 3.31Å; S225-P229 WeakPolarHBondContact O-CD 3.24Å; S225-V232 VanDerWaalsContact CA-O 3.3Å; S225-V232 WeakPolarHBondContact CA-O 3.35Å; S225-V232 WeakPolarHBondContact CB-O 3.46Å; S225-V232 PolarHBondContact OG-O 3.32Å; S225-A234 WeakPolarHBondContact CB-O 3.28Å; S225-A234 PolarHBondContact OG-N 3.27Å; S225-A234 PolarHBondContact OG-O 3.24Å
226	R	98.6	Very high	98.7	Very high	94 Å²	94	52 Å²	52	36%	0.355	26%	0.261	S	S	.	.	H	α-helix	trans	-61.1	-36.2	175	-68.8	166.7	-175.8	-170.8	-0.2	112.6	I222 L223 T248 L249	I222-R226 VanDerWaalsContact O-CG 3.29Å; I222-R226 WeakPolarHBondContact O-CG 3.32Å; I222-R226 PolarHBondContact O-N 2.87Å; L223-R226 PolarHBondContact O-N 2.02Å; R226-T248 PolarHBondContact NH2-O 3.03Å; R226-L249 PolarHBondContact NH1-O 3.24Å; R226-L249 PolarHBondContact NH2-O 3.26Å; R226-L249 VanDerWaalsContact NH2-O 3.17Å
227	K	98.7	Very high	98.7	Very high	178 Å²	178	48.2 Å²	48.2	77%	0.774	24%	0.237	S	C	*	.	H	α-helix	trans	-76.6	-38.2	178.6	-174.2	179.4	179.2	179.9	0	112.3	L223 L224 S225	L223-K227 WeakPolarHBondContact O-CB 3.23Å; L223-K227 PolarHBondContact O-N 3.04Å; L224-K227 PolarHBondContact O-N 2.84Å; S225-K227 VanDerWaalsContact C-N 3.27Å; S225-K227 PolarHBondContact O-N 2.88Å
228	N	98.5	Very high	98.7	Very high	66 Å²	66	50.6 Å²	50.6	35%	0.353	25%	0.246	S	C	.	.			trans	-141.6	77.7	-175.1	-168.5	-12.9	0	0	0	111.2	L224 S225 K230 L231 V232	L224-N228 PolarHBondContact O-N 2.81Å; S225-N228 CarbonylContact O-C 3.29Å; S225-N228 VanDerWaalsContact O-C 3.29Å; S225-N228 PolarHBondContact O-N 3.02Å; N228-K230 PolarHBondContact O-N 2.7Å; N228-L231 HydrophobicContact CB-CB 4.11Å; N228-L231 WeakPolarHBondContact O-CB 3.33Å; N228-L231 PolarHBondContact O-N 3.38Å; N228-L231 PolarHBondContact OD1-N 3.04Å; N228-V232 PolarHBondContact O-N 3.44Å; N228-V232 VanDerWaalsContact O-N 3.17Å
229	P	98.2	Very high	98.5	Very high	90 Å²	90	53.1 Å²	53.1	58%	0.584	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.4	-173.3	24.7	-34.5	0	0	0	113.5	S225 L231 V232	S225-P229 VanDerWaalsContact O-CA 3.23Å; S225-P229 WeakPolarHBondContact O-CA 3.31Å; S225-P229 WeakPolarHBondContact O-CD 3.24Å; P229-L231 VanDerWaalsContact C-N 3.34Å; P229-V232 CarbonylContact C-O 3.44Å; P229-V232 WeakPolarHBondContact CA-O 3.06Å
230	K	98.1	Very high	98.1	Very high	179 Å²	179	60.3 Å²	60.3	78%	0.778	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-29	174.4	-165.2	177.7	-177.2	178.6	0	111.8	T206 N228	T206-K230 PolarHBondContact OG1-O 3.34Å; N228-K230 PolarHBondContact O-N 2.7Å
231	L	98.5	Very high	97.8	Very high	20 Å²	20	61.2 Å²	61.2	11%	0.105	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-47.4	177.6	-178.3	61.5	0	0	0	111.5	A207 L224 N228 P229 Q322 L325	A207-L231 PolarHBondContact N-O 2.05Å; L224-L231 HydrophobicContact CD1-CD2 4.41Å; L224-L231 HydrophobicContact CD2-CD2 4.46Å; N228-L231 HydrophobicContact CB-CB 4.11Å; N228-L231 WeakPolarHBondContact O-CB 3.33Å; N228-L231 PolarHBondContact O-N 3.38Å; N228-L231 PolarHBondContact OD1-N 3.04Å; P229-L231 VanDerWaalsContact C-N 3.34Å; L231-Q322 HydrophobicContact CD2-CG 4.13Å; L231-L325 HydrophobicContact CD1-CB 4.13Å; L231-L325 HydrophobicContact CD1-CD1 3.97Å; L231-L325 HydrophobicContact CD2-CD1 4.38Å; L231-L325 HydrophobicContact CG-CD1 4Å
232	V	98.8	Very high	97.6	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.3	-177.2	-171.9	0	0	0	0	109.9	A207 L221 L224 S225 N228 P229 A234 L325	A207-V232 HydrophobicContact CB-CG1 4.3Å; A207-V232 HydrophobicContact CB-CG2 4.25Å; A207-V232 CarbonylContact O-C 3.53Å; A207-V232 WeakPolarHBondContact O-CA 3.42Å; L221-V232 HydrophobicContact CD1-CG1 3.78Å; L221-V232 HydrophobicContact CD1-CG2 4.27Å; L221-V232 HydrophobicContact CD2-CG1 4.46Å; L221-V232 HydrophobicContact CG-CG1 3.94Å; L224-V232 HydrophobicContact CD2-CG2 3.85Å; L224-V232 HydrophobicContact CG-CG2 4.05Å; S225-V232 VanDerWaalsContact CA-O 3.3Å; S225-V232 WeakPolarHBondContact CA-O 3.35Å; S225-V232 WeakPolarHBondContact CB-O 3.46Å; S225-V232 PolarHBondContact OG-O 3.32Å; N228-V232 PolarHBondContact O-N 3.44Å; N228-V232 VanDerWaalsContact O-N 3.17Å; P229-V232 CarbonylContact C-O 3.44Å; P229-V232 WeakPolarHBondContact CA-O 3.06Å; V232-A234 HydrophobicContact CG1-CB 3.63Å; V232-L325 HydrophobicContact CG2-CD1 3.95Å
233	D	98.9	Very high	97.4	Very high	38 Å²	38	73.8 Å²	73.8	20%	0.203	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	88.4	168.1	176.6	4.2	0	0	0	108.1	T206 A207 Y208 F209 R210 Y265	T206-D233 HydrophobicContact CG2-CB 3.71Å; A207-D233 PolarHBondContact O-N 3.09Å; Y208-D233 WeakPolarHBondContact CA-O 3.37Å; Y208-D233 HydrophobicContact CD2-CB 3.96Å; Y208-D233 WeakPolarHBondContact CD2-O 3.46Å; Y208-D233 HydrophobicContact CE2-CB 4.44Å; Y208-D233 WeakPolarHBondContact CE2-OD2 3.15Å; F209-D233 PolarHBondContact N-O 3.31Å; R210-D233 IonicContact CZ-OD1 2.77Å; R210-D233 PolarHBondContact NH1-O 3Å; R210-D233 VanDerWaalsContact NH1-O 3.16Å; R210-D233 IonicContact NH1-OD1 3.38Å; R210-D233 PolarHBondContact NH1-OD1 2.73Å; R210-D233 IonicContact NH2-OD1 3Å; R210-D233 PolarHBondContact NH2-OD1 3.27Å; R210-D233 IonicContact NH2-OD2 3.37Å; D233-Y265 PolarHBondContact OD2-OH 2.89Å
234	A	98.9	Very high	97.3	Very high	1 Å²	1	72 Å²	72	1%	0.008	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	119	-176.9	0	0	0	0	0	110.4	F209 L221 I222 S225 V232	F209-A234 HydrophobicContact CB-CB 3.82Å; F209-A234 HydrophobicContact CD1-CB 4.48Å; F209-A234 WeakPolarHBondContact O-CA 3.32Å; L221-A234 HydrophobicContact CD2-CB 3.95Å; L221-A234 HydrophobicContact CG-CB 3.89Å; I222-A234 VanDerWaalsContact CD1-C 3.49Å; I222-A234 HydrophobicContact CD1-CB 3.74Å; I222-A234 WeakPolarHBondContact CD1-O 3.4Å; S225-A234 WeakPolarHBondContact CB-O 3.28Å; S225-A234 PolarHBondContact OG-N 3.27Å; S225-A234 PolarHBondContact OG-O 3.24Å; V232-A234 HydrophobicContact CG1-CB 3.63Å
235	E	98.9	Very high	97.2	Very high	88 Å²	88	76.5 Å²	76.5	41%	0.411	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.4	-177.1	-58.6	-179.2	150.5	0	0	112.1	F209 R210 A254	F209-E235 PolarHBondContact O-N 3.21Å; R210-E235 IonicContact CZ-OE2 2.7Å; R210-E235 VanDerWaalsContact CZ-OE2 3.29Å; R210-E235 IonicContact NE-OE2 3.67Å; R210-E235 PolarHBondContact NE-OE2 3.24Å; R210-E235 IonicContact NH2-OE1 3.29Å; R210-E235 IonicContact NH2-OE2 2.76Å; R210-E235 PolarHBondContact NH2-OE2 3.44Å; E235-A254 HydrophobicContact CB-CB 3.6Å; E235-A254 VanDerWaalsContact OE2-CB 3.29Å; E235-A254 WeakPolarHBondContact OE2-CB 3.5Å
236	Y	98.9	Very high	97.2	Very high	6 Å²	6	83.4 Å²	83.4	2%	0.024	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.2	175.6	-77.8	-48.8	0	0	0	111.9	G211 R213 R218 D219 I222 L249 A254	G211-Y236 WeakPolarHBondContact O-CA 3.2Å; G211-Y236 WeakPolarHBondContact O-CD1 3.15Å; R213-Y236 VanDerWaalsContact CA-CE1 3.47Å; R213-Y236 HydrophobicContact CB-CD1 3.8Å; R213-Y236 HydrophobicContact CB-CD2 4.23Å; R213-Y236 HydrophobicContact CB-CE1 3.59Å; R213-Y236 HydrophobicContact CB-CE2 4Å; R213-Y236 HydrophobicContact CB-CG 4.14Å; R213-Y236 HydrophobicContact CG-CE1 3.95Å; R213-Y236 HydrophobicContact CG-CE2 3.85Å; R218-Y236 VanDerWaalsContact C-OH 3.29Å; R218-Y236 HydrophobicContact CB-CE1 3.9Å; R218-Y236 WeakPolarHBondContact CB-OH 3.29Å; D219-Y236 WeakPolarHBondContact CA-OH 3.42Å; D219-Y236 PolarHBondContact N-OH 3.32Å; D219-Y236 VanDerWaalsContact N-OH 3.13Å; D219-Y236 VanDerWaalsContact OD1-CE2 3.31Å; D219-Y236 WeakPolarHBondContact OD1-CE2 3.14Å; D219-Y236 VanDerWaalsContact OD1-CZ 3.32Å; D219-Y236 PolarHBondContact OD1-OH 2.52Å; I222-Y236 HydrophobicContact CB-CD2 4.4Å; I222-Y236 HydrophobicContact CB-CE2 4.14Å; I222-Y236 HydrophobicContact CD1-CD1 4.4Å; I222-Y236 HydrophobicContact CD1-CE1 4.37Å; I222-Y236 HydrophobicContact CG1-CD1 4.21Å; I222-Y236 HydrophobicContact CG1-CD2 3.86Å; I222-Y236 HydrophobicContact CG1-CE1 3.9Å; I222-Y236 HydrophobicContact CG1-CE2 3.55Å; I222-Y236 HydrophobicContact CG1-CG 4.17Å; I222-Y236 HydrophobicContact CG2-CD2 4.06Å; I222-Y236 HydrophobicContact CG2-CE2 4.25Å; Y236-L249 HydrophobicContact CD2-CB 4.14Å; Y236-L249 HydrophobicContact CE2-CB 4.11Å; Y236-L249 HydrophobicContact CE2-CD2 4.46Å; Y236-A254 PolarHBondContact O-N 3.5Å
237	T	98.6	Very high	97.1	Very high	6 Å²	6	81.2 Å²	81.2	4%	0.037	40%	0.398	C	S	.	.			trans	-92.1	177.1	167.2	71.9	0	0	0	0	110.9	R210 G211 S212 A254 D256	R210-T237 HydrophobicContact CB-CG2 4.33Å; G211-T237 PolarHBondContact O-N 3.08Å; G211-T237 VanDerWaalsContact O-N 3.09Å; S212-T237 WeakPolarHBondContact CA-O 3.09Å; S212-T237 WeakPolarHBondContact CB-O 3.28Å; S212-T237 PolarHBondContact N-OG1 2.98Å; T237-A254 HydrophobicContact CG2-CB 4.23Å; T237-D256 WeakPolarHBondContact CB-OD1 3.47Å; T237-D256 WeakPolarHBondContact CG2-OD1 3.49Å; T237-D256 PolarHBondContact OG1-OD1 2.98Å
238	K	97.3	Very high	97.1	Very high	100 Å²	100	72.8 Å²	72.8	44%	0.435	36%	0.362	S	S	.	.			trans	-88.2	149.9	175.2	-60.9	-167.9	-179.1	180	0	111	W242 A253	K238-W242 HydrophobicContact CB-CB 4.34Å; K238-W242 HydrophobicContact CB-CG 4.39Å; K238-W242 HydrophobicContact CD-CD2 4.05Å; K238-W242 HydrophobicContact CD-CG 4.07Å; K238-W242 HydrophobicContact CG-CG 4.1Å; K238-A253 HydrophobicContact CD-CB 4.06Å; K238-A253 HydrophobicContact CG-CB 3.36Å
239	N	94.8	Very high	97	Very high	58 Å²	58	71.7 Å²	71.7	31%	0.31	36%	0.356	S	S	.	.			trans	-117	174.7	159.9	62.8	39.3	0	0	0	109.3	S212 A241 W242	S212-N239 WeakPolarHBondContact CB-ND2 3.03Å; S212-N239 PolarHBondContact OG-ND2 2.99Å; N239-A241 PolarHBondContact O-N 3.1Å; N239-A241 VanDerWaalsContact O-N 3.16Å; N239-A241 WeakPolarHBondContact OD1-CA 3.39Å; N239-A241 WeakPolarHBondContact OD1-CB 3.36Å; N239-A241 PolarHBondContact OD1-N 3.01Å; N239-W242 VanDerWaalsContact O-CB 3.24Å; N239-W242 WeakPolarHBondContact O-CB 3.15Å; N239-W242 PolarHBondContact O-N 3.2Å; N239-W242 VanDerWaalsContact O-N 3.09Å; N239-W242 PolarHBondContact OD1-N 3.46Å; N239-W242 VanDerWaalsContact OD1-N 3.17Å
240	Q	90.7	Very high	97	Very high	172 Å²	172	70 Å²	70	80%	0.804	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.5	-178.6	-64.2	178.2	-3	0	0	113.6	A172	A172-Q240 PolarHBondContact O-NE2 3.35Å
241	A	93.8	Very high	97	Very high	71 Å²	71	67.1 Å²	67.1	59%	0.587	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	5.7	176.8	0	0	0	0	0	113.5	N239 K243	N239-A241 PolarHBondContact O-N 3.1Å; N239-A241 VanDerWaalsContact O-N 3.16Å; N239-A241 WeakPolarHBondContact OD1-CA 3.39Å; N239-A241 WeakPolarHBondContact OD1-CB 3.36Å; N239-A241 PolarHBondContact OD1-N 3.01Å; A241-K243 PolarHBondContact O-N 3.34Å
242	W	93.6	Very high	97	Very high	86 Å²	86	71.4 Å²	71.4	33%	0.326	37%	0.371	S	S	.	.			trans	-60.8	129.5	178	-176.8	93.9	0	0	0	111	K238 N239 S244 D247	K238-W242 HydrophobicContact CB-CB 4.34Å; K238-W242 HydrophobicContact CB-CG 4.39Å; K238-W242 HydrophobicContact CD-CD2 4.05Å; K238-W242 HydrophobicContact CD-CG 4.07Å; K238-W242 HydrophobicContact CG-CG 4.1Å; N239-W242 VanDerWaalsContact O-CB 3.24Å; N239-W242 WeakPolarHBondContact O-CB 3.15Å; N239-W242 PolarHBondContact O-N 3.2Å; N239-W242 VanDerWaalsContact O-N 3.09Å; N239-W242 PolarHBondContact OD1-N 3.46Å; N239-W242 VanDerWaalsContact OD1-N 3.17Å; W242-S244 VanDerWaalsContact CE2-O 3.32Å; W242-S244 PolarHBondContact NE1-O 3.32Å; W242-D247 HydrophobicContact CG-CB 4.43Å
243	K	95.7	Very high	97	Very high	181 Å²	181	73 Å²	73	79%	0.787	38%	0.384	S	S	*	.			trans	-121.5	-30.4	179.3	-67.7	179	-178.4	-178.5	0	112.8	A241 D247	A241-K243 PolarHBondContact O-N 3.34Å; K243-D247 PolarHBondContact N-OD2 3.27Å
244	S	97.1	Very high	97	Very high	52 Å²	52	72 Å²	72	36%	0.364	38%	0.381	S	S	.	.	S	Bend	trans	-158.1	173.1	-176.7	70.5	0	0	0	0	112.5	W242 K246 D247	W242-S244 VanDerWaalsContact CE2-O 3.32Å; W242-S244 PolarHBondContact NE1-O 3.32Å; S244-K246 PolarHBondContact O-N 2.96Å; S244-K246 VanDerWaalsContact OG-CB 3.32Å; S244-K246 WeakPolarHBondContact OG-CB 3.43Å; S244-K246 PolarHBondContact OG-N 3.04Å; S244-D247 PolarHBondContact N-OD2 2.94Å; S244-D247 WeakPolarHBondContact O-CB 3.46Å; S244-D247 PolarHBondContact O-N 2.99Å
245	M	96.7	Very high	96.9	Very high	111 Å²	111	80.8 Å²	80.8	55%	0.547	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-61	-14.6	172.4	-72.8	-170.2	-74.1	0	0	113.8	D247 T248 L249 G250	M245-D247 PolarHBondContact O-N 3.15Å; M245-T248 CarbonylContact O-C 3.57Å; M245-T248 PolarHBondContact O-N 2.94Å; M245-T248 VanDerWaalsContact O-N 3.09Å; M245-T248 PolarHBondContact O-OG1 3.06Å; M245-L249 PolarHBondContact O-N 3.45Å; M245-L249 VanDerWaalsContact O-N 3.14Å; M245-G250 PolarHBondContact O-N 3.22Å
246	K	97	Very high	96.9	Very high	154 Å²	154	78.6 Å²	78.6	67%	0.67	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-59	-33.9	170.6	-173.3	179.4	175.2	179.7	0	111.4	S244 T248 L249	S244-K246 PolarHBondContact O-N 2.96Å; S244-K246 VanDerWaalsContact OG-CB 3.32Å; S244-K246 WeakPolarHBondContact OG-CB 3.43Å; S244-K246 PolarHBondContact OG-N 3.04Å; K246-T248 PolarHBondContact O-N 3.35Å; K246-L249 PolarHBondContact O-N 3.42Å; K246-L249 VanDerWaalsContact O-N 3.13Å
247	D	96.9	Very high	96.9	Very high	48 Å²	48	80.1 Å²	80.1	26%	0.257	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-73.6	-10.7	179.7	-54.4	-45.7	0	0	0	112.7	R213 W242 K243 S244 M245	R213-D247 WeakPolarHBondContact CB-O 3.48Å; W242-D247 HydrophobicContact CG-CB 4.43Å; K243-D247 PolarHBondContact N-OD2 3.27Å; S244-D247 PolarHBondContact N-OD2 2.94Å; S244-D247 WeakPolarHBondContact O-CB 3.46Å; S244-D247 PolarHBondContact O-N 2.99Å; M245-D247 PolarHBondContact O-N 3.15Å
248	T	98.2	Very high	96.9	Very high	1 Å²	1	82 Å²	82	1%	0.006	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-120.2	22.8	173	50.5	0	0	0	0	111.4	R226 M245 K246 G250 K251 A253	R226-T248 PolarHBondContact NH2-O 3.03Å; M245-T248 CarbonylContact O-C 3.57Å; M245-T248 PolarHBondContact O-N 2.94Å; M245-T248 VanDerWaalsContact O-N 3.09Å; M245-T248 PolarHBondContact O-OG1 3.06Å; K246-T248 PolarHBondContact O-N 3.35Å; T248-G250 VanDerWaalsContact C-N 3.32Å; T248-G250 PolarHBondContact O-N 3.45Å; T248-K251 VanDerWaalsContact CB-O 3.29Å; T248-K251 WeakPolarHBondContact CB-O 3.49Å; T248-K251 PolarHBondContact O-N 2.64Å; T248-K251 PolarHBondContact OG1-O 3.33Å; T248-A253 HydrophobicContact CG2-CB 3.93Å
249	L	97.9	Very high	97	Very high	44 Å²	44	77.9 Å²	77.9	23%	0.23	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	46	176.4	-163.3	65.9	0	0	0	112.5	D219 L223 R226 Y236 M245 K246 K251	D219-L249 HydrophobicContact CB-CD2 4.28Å; L223-L249 HydrophobicContact CD1-CD2 4.33Å; L223-L249 HydrophobicContact CD2-CD2 3.61Å; L223-L249 HydrophobicContact CG-CD2 3.77Å; R226-L249 PolarHBondContact NH1-O 3.24Å; R226-L249 PolarHBondContact NH2-O 3.26Å; R226-L249 VanDerWaalsContact NH2-O 3.17Å; Y236-L249 HydrophobicContact CD2-CB 4.14Å; Y236-L249 HydrophobicContact CE2-CB 4.11Å; Y236-L249 HydrophobicContact CE2-CD2 4.46Å; M245-L249 PolarHBondContact O-N 3.45Å; M245-L249 VanDerWaalsContact O-N 3.14Å; K246-L249 PolarHBondContact O-N 3.42Å; K246-L249 VanDerWaalsContact O-N 3.13Å; L249-K251 PolarHBondContact O-N 3Å
250	G	97.9	Very high	97.2	Very high	53 Å²	53	76.5 Å²	76.5	55%	0.546	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	13.3	173.9	0	0	0	0	0	115.8	M245 T248	M245-G250 PolarHBondContact O-N 3.22Å; T248-G250 VanDerWaalsContact C-N 3.32Å; T248-G250 PolarHBondContact O-N 3.45Å
251	K	98.2	Very high	97.6	Very high	119 Å²	119	72 Å²	72	52%	0.517	39%	0.386	S	S	.	.	S	Bend	trans	-121.4	157.1	176.7	-68.1	-68.8	-176.4	176.6	0	111.4	T248 L249	T248-K251 VanDerWaalsContact CB-O 3.29Å; T248-K251 WeakPolarHBondContact CB-O 3.49Å; T248-K251 PolarHBondContact O-N 2.64Å; T248-K251 PolarHBondContact OG1-O 3.33Å; L249-K251 PolarHBondContact O-N 3Å
252	P	98.4	Very high	97.8	Very high	111 Å²	111	68.9 Å²	68.9	72%	0.721	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-52.4	145.1	168.3	-25.2	35.1	0	0	0	111.1
253	A	98.2	Very high	98.1	Very high	33 Å²	33	64.8 Å²	64.8	27%	0.273	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-68.1	136.5	177.5	0	0	0	0	0	110.6	K238 T248	K238-A253 HydrophobicContact CD-CB 4.06Å; K238-A253 HydrophobicContact CG-CB 3.36Å; T248-A253 HydrophobicContact CG2-CB 3.93Å
254	A	98.5	Very high	98.2	Very high	17 Å²	17	59.7 Å²	59.7	14%	0.14	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-67.4	155.3	168.4	0	0	0	0	0	110.7	E235 Y236 T237	E235-A254 HydrophobicContact CB-CB 3.6Å; E235-A254 VanDerWaalsContact OE2-CB 3.29Å; E235-A254 WeakPolarHBondContact OE2-CB 3.5Å; Y236-A254 PolarHBondContact O-N 3.5Å; T237-A254 HydrophobicContact CG2-CB 4.23Å
255	K	98.5	Very high	98.3	Very high	185 Å²	185	58.3 Å²	58.3	80%	0.804	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-68	143.3	168.8	-62.7	-178.2	-177.7	-178	0	109.4
256	D	98.3	Very high	98.4	Very high	43 Å²	43	53.7 Å²	53.7	23%	0.23	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-65	144.2	169.5	-62.2	-77.9	0	0	0	110.4	V173 I176 T237	V173-D256 HydrophobicContact CG1-CB 3.87Å; V173-D256 VanDerWaalsContact CG1-CG 3.42Å; V173-D256 WeakPolarHBondContact CG1-OD1 3.24Å; I176-D256 HydrophobicContact CD1-CB 3.94Å; I176-D256 HydrophobicContact CG1-CB 4.33Å; T237-D256 WeakPolarHBondContact CB-OD1 3.47Å; T237-D256 WeakPolarHBondContact CG2-OD1 3.49Å; T237-D256 PolarHBondContact OG1-OD1 2.98Å
257	V	98.7	Very high	98.5	Very high	38 Å²	38	46.4 Å²	46.4	23%	0.23	25%	0.254	C	S	.	.			trans	-125.7	131	-176.9	176.6	0	0	0	0	107.6	R210 D261 H262	R210-V257 HydrophobicContact CB-CB 4.49Å; R210-V257 HydrophobicContact CG-CB 4.25Å; R210-V257 HydrophobicContact CG-CG2 4.03Å; V257-D261 HydrophobicContact CG1-CB 3.64Å; V257-H262 PolarHBondContact O-CE1 2.79Å
258	H	98.8	Very high	98.6	Very high	45 Å²	45	44.1 Å²	44.1	21%	0.208	24%	0.241	C	C	.	.			trans	-64.1	148.2	-179.5	-165	-89.5	0	0	0	110.3	I176 Y177 F187 V260 D261 H262	I176-H258 HydrophobicContact CG2-CB 4.4Å; Y177-H258 AromaticContact CE1-CD2 3.57Å; Y177-H258 AromaticContact CE1-NE2 3.39Å; Y177-H258 WeakPolarHBondContact CE1-NE2 3.29Å; F187-H258 AromaticContact CE1-CE1 3.9Å; F187-H258 AromaticContact CZ-CE1 3.48Å; F187-H258 VanDerWaalsContact CZ-CE1 3.48Å; F187-H258 WeakPolarHBondContact CZ-CE1 3.34Å; F187-H258 AromaticContact CZ-NE2 3.77Å; H258-V260 VanDerWaalsContact C-N 3.25Å; H258-V260 HydrophobicContact CB-CG2 4.29Å; H258-V260 WeakPolarHBondContact ND1-CG2 3.34Å; H258-V260 PolarHBondContact ND1-N 2.71Å; H258-V260 PolarHBondContact O-N 3.4Å; H258-D261 WeakPolarHBondContact O-CB 3.5Å; H258-D261 PolarHBondContact O-N 3.37Å; H258-H262 PolarHBondContact O-CE1 3.21Å; H258-H262 PolarHBondContact O-ND1 3.23Å
259	L	98.8	Very high	98.6	Very high	14 Å²	14	44.1 Å²	44.1	7%	0.073	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-62.7	-32.5	-175.7	-80	163.8	0	0	0	112.4	Y177 L181 F187 L191 D261 H262 R279 H282 L283	Y177-L259 WeakPolarHBondContact OH-CD1 3.4Å; Y177-L259 WeakPolarHBondContact OH-CG 3.48Å; Y177-L259 PolarHBondContact OH-N 2.9Å; L181-L259 HydrophobicContact CD1-CD1 4.5Å; F187-L259 HydrophobicContact CE1-CB 3.76Å; F187-L259 HydrophobicContact CE1-CD1 4.15Å; F187-L259 HydrophobicContact CZ-CB 4.04Å; F187-L259 HydrophobicContact CZ-CD1 4.05Å; L191-L259 HydrophobicContact CD2-CB 4.4Å; L259-D261 PolarHBondContact O-N 2.7Å; L259-H262 VanDerWaalsContact O-CB 3.25Å; L259-H262 WeakPolarHBondContact O-CB 3.33Å; L259-H262 PolarHBondContact O-N 2.76Å; L259-H262 VanDerWaalsContact O-N 3.08Å; L259-R279 HydrophobicContact CD2-CG 4.44Å; L259-H282 HydrophobicContact CD1-CB 3.92Å; L259-H282 HydrophobicContact CD2-CB 4.25Å; L259-L283 HydrophobicContact CD2-CD2 4.38Å
260	V	98.8	Very high	98.7	Very high	29 Å²	29	42.1 Å²	42.1	18%	0.176	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-60.8	-31.6	174.4	-56.9	0	0	0	0	113	D190 L191 S194 H258 H262 C263	D190-V260 HydrophobicContact CB-CG1 3.9Å; L191-V260 HydrophobicContact CD2-CG1 4.24Å; S194-V260 PolarHBondContact OG-O 3.1Å; H258-V260 VanDerWaalsContact C-N 3.25Å; H258-V260 HydrophobicContact CB-CG2 4.29Å; H258-V260 WeakPolarHBondContact ND1-CG2 3.34Å; H258-V260 PolarHBondContact ND1-N 2.71Å; H258-V260 PolarHBondContact O-N 3.4Å; V260-H262 PolarHBondContact O-N 3.45Å; V260-C263 WeakPolarHBondContact O-CB 3.16Å; V260-C263 PolarHBondContact O-N 3Å; V260-C263 PolarHBondContact O-SG 2.79Å; V260-C263 VanDerWaalsContact O-SG 3.37Å
261	D	98.8	Very high	98.7	Very high	78 Å²	78	39.6 Å²	39.6	42%	0.417	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-77.2	-8.9	179.5	-65.2	-46.2	0	0	0	112.7	V257 H258 L259 C263 K264	V257-D261 HydrophobicContact CG1-CB 3.64Å; H258-D261 WeakPolarHBondContact O-CB 3.5Å; H258-D261 PolarHBondContact O-N 3.37Å; L259-D261 PolarHBondContact O-N 2.7Å; D261-C263 VanDerWaalsContact C-N 3.29Å; D261-K264 WeakPolarHBondContact O-CE 3.43Å; D261-K264 WeakPolarHBondContact O-CG 3.31Å
262	H	98.9	Very high	98.8	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.023	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-74.5	-24.6	172.6	-65.6	49	0	0	0	111.1	Y208 V257 H258 L259 V260 K264 Y265 L268	Y208-H262 HydrophobicContact CD1-CB 4.48Å; Y208-H262 AromaticContact CD1-CD2 3.67Å; Y208-H262 AromaticContact CE1-CD2 3.65Å; Y208-H262 AromaticContact CE1-CE1 3.99Å; Y208-H262 AromaticContact CE1-CG 3.92Å; Y208-H262 AromaticContact CE1-NE2 3.71Å; V257-H262 PolarHBondContact O-CE1 2.79Å; H258-H262 PolarHBondContact O-CE1 3.21Å; H258-H262 PolarHBondContact O-ND1 3.23Å; L259-H262 VanDerWaalsContact O-CB 3.25Å; L259-H262 WeakPolarHBondContact O-CB 3.33Å; L259-H262 PolarHBondContact O-N 2.76Å; L259-H262 VanDerWaalsContact O-N 3.08Å; V260-H262 PolarHBondContact O-N 3.45Å; H262-K264 PolarHBondContact O-N 2.64Å; H262-Y265 WeakPolarHBondContact O-CD2 3.19Å; H262-Y265 PolarHBondContact O-N 3.16Å; H262-L268 HydrophobicContact CB-CD1 4.16Å; H262-L268 HydrophobicContact CB-CD2 4.07Å
263	C	98.9	Very high	98.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15	-171	-53.7	0	0	0	0	114	S194 W198 K203 V260 D261 Y265 C286	S194-C263 WeakPolarHBondContact OG-CB 3.49Å; W198-C263 WeakPolarHBondContact CB-O 3.49Å; K203-C263 PolarHBondContact NZ-O 3.1Å; V260-C263 WeakPolarHBondContact O-CB 3.16Å; V260-C263 PolarHBondContact O-N 3Å; V260-C263 PolarHBondContact O-SG 2.79Å; V260-C263 VanDerWaalsContact O-SG 3.37Å; D261-C263 VanDerWaalsContact C-N 3.29Å; C263-Y265 PolarHBondContact O-N 2.78Å; C263-C286 WeakPolarHBondContact CA-SG 3.38Å; C263-C286 HydrophobicContact CB-CB 3.46Å; C263-C286 VanDerWaalsContact CB-CB 3.46Å; C263-C286 WeakPolarHBondContact CB-SG 3.42Å; C263-C286 PolarHBondContact N-SG 3.15Å; C263-C286 VanDerWaalsContact N-SG 3.44Å; C263-C286 WeakPolarHBondContact SG-CA 3.38Å; C263-C286 WeakPolarHBondContact SG-CB 3.48Å; C263-C286 CovalentContact SG-SG 2.05Å; C263-C286 PolarHBondContact SG-SG 3.39Å
264	K	98.9	Very high	98.7	Very high	74 Å²	74	32.4 Å²	32.4	32%	0.322	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.7	172.8	73.3	-170	174.4	-173.3	0	114.6	W198 K203 N204 D261 H262	W198-K264 HydrophobicContact CD2-CB 3.46Å; W198-K264 VanDerWaalsContact CD2-CB 3.46Å; W198-K264 VanDerWaalsContact CE2-CB 3.46Å; W198-K264 HydrophobicContact CE3-CB 3.74Å; W198-K264 HydrophobicContact CG-CB 3.97Å; W198-K264 HydrophobicContact CH2-CB 4.02Å; W198-K264 HydrophobicContact CZ2-CB 3.76Å; W198-K264 HydrophobicContact CZ2-CD 4.43Å; W198-K264 HydrophobicContact CZ3-CB 4.01Å; K203-K264 CarbonylContact C-O 3.51Å; K203-K264 VanDerWaalsContact CA-O 3.27Å; K203-K264 WeakPolarHBondContact CA-O 3.28Å; N204-K264 PolarHBondContact N-O 3.38Å; D261-K264 WeakPolarHBondContact O-CE 3.43Å; D261-K264 WeakPolarHBondContact O-CG 3.31Å; H262-K264 PolarHBondContact O-N 2.64Å
265	Y	98.9	Very high	98.7	Very high	22 Å²	22	31.8 Å²	31.8	9%	0.086	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-103.9	139.5	179.4	-61.9	-89.8	0	0	0	111.4	N204 T206 Y208 D233 H262 C263 S288	N204-Y265 HydrophobicContact CB-CD1 4Å; N204-Y265 HydrophobicContact CB-CE1 4.46Å; T206-Y265 WeakPolarHBondContact O-CD1 3.33Å; Y208-Y265 VanDerWaalsContact CB-CG 3.5Å; Y208-Y265 AromaticContact CD1-CD2 3.78Å; Y208-Y265 HydrophobicContact CD1-CD2 3.78Å; Y208-Y265 AromaticContact CD1-CE2 3.88Å; Y208-Y265 HydrophobicContact CD1-CE2 3.88Å; Y208-Y265 HydrophobicContact CD1-CG 4.41Å; Y208-Y265 AromaticContact CD2-CD1 3.98Å; Y208-Y265 HydrophobicContact CD2-CD1 3.98Å; Y208-Y265 AromaticContact CD2-CD2 3.83Å; Y208-Y265 HydrophobicContact CD2-CD2 3.83Å; Y208-Y265 AromaticContact CD2-CE1 3.56Å; Y208-Y265 HydrophobicContact CD2-CE1 3.56Å; Y208-Y265 AromaticContact CD2-CE2 3.41Å; Y208-Y265 HydrophobicContact CD2-CE2 3.41Å; Y208-Y265 VanDerWaalsContact CD2-CE2 3.41Å; Y208-Y265 HydrophobicContact CD2-CG 4.09Å; Y208-Y265 AromaticContact CD2-CZ 3.25Å; Y208-Y265 HydrophobicContact CE1-CD2 4.29Å; Y208-Y265 AromaticContact CE1-CE2 3.98Å; Y208-Y265 HydrophobicContact CE1-CE2 3.98Å; Y208-Y265 HydrophobicContact CE2-CD2 4.32Å; Y208-Y265 HydrophobicContact CE2-CE1 4.15Å; Y208-Y265 AromaticContact CE2-CE2 3.52Å; Y208-Y265 HydrophobicContact CE2-CE2 3.52Å; Y208-Y265 AromaticContact CE2-CZ 3.41Å; Y208-Y265 VanDerWaalsContact CE2-CZ 3.41Å; Y208-Y265 VanDerWaalsContact CE2-OH 3.29Å; Y208-Y265 WeakPolarHBondContact CE2-OH 3.29Å; Y208-Y265 HydrophobicContact CG-CD1 4.06Å; Y208-Y265 AromaticContact CG-CD2 3.51Å; Y208-Y265 HydrophobicContact CG-CD2 3.51Å; Y208-Y265 HydrophobicContact CG-CE1 4.1Å; Y208-Y265 AromaticContact CG-CE2 3.58Å; Y208-Y265 HydrophobicContact CG-CE2 3.58Å; Y208-Y265 AromaticContact CG-CG 3.76Å; Y208-Y265 HydrophobicContact CG-CG 3.76Å; Y208-Y265 AromaticContact CG-CZ 3.87Å; Y208-Y265 AromaticContact CZ-CE2 3.79Å; D233-Y265 PolarHBondContact OD2-OH 2.89Å; H262-Y265 WeakPolarHBondContact O-CD2 3.19Å; H262-Y265 PolarHBondContact O-N 3.16Å; C263-Y265 PolarHBondContact O-N 2.78Å; Y265-S288 VanDerWaalsContact O-CB 3.3Å; Y265-S288 WeakPolarHBondContact O-CB 3.12Å; Y265-S288 PolarHBondContact O-OG 3.5Å
266	K	98.9	Very high	98.7	Very high	14 Å²	14	23.4 Å²	23.4	6%	0.061	12%	0.121	C	C	.	.	S	Bend	trans	-68.7	-40.6	179.6	-81.2	-169.5	177.3	-172.8	0	112.6	W200 K203 N204 S288 L289 D332	W200-K266 HydrophobicContact CH2-CB 4.46Å; W200-K266 HydrophobicContact CH2-CD 4.37Å; W200-K266 HydrophobicContact CH2-CG 4.45Å; W200-K266 HydrophobicContact CZ2-CD 3.96Å; W200-K266 HydrophobicContact CZ2-CG 4.47Å; W200-K266 VanDerWaalsContact O-CE 3.23Å; W200-K266 WeakPolarHBondContact O-CE 3.37Å; K203-K266 HydrophobicContact CB-CB 4.31Å; K203-K266 HydrophobicContact CB-CG 3.44Å; K203-K266 VanDerWaalsContact CB-CG 3.44Å; K203-K266 HydrophobicContact CD-CG 4.34Å; N204-K266 PolarHBondContact O-N 3.05Å; K266-S288 CarbonylContact O-C 3.6Å; K266-S288 WeakPolarHBondContact O-CB 3.39Å; K266-L289 PolarHBondContact O-N 3.24Å; K266-D332 IonicContact NZ-OD1 3.64Å; K266-D332 PolarHBondContact NZ-OD1 3.05Å; K266-D332 IonicContact NZ-OD2 2.72Å; K266-D332 PolarHBondContact NZ-OD2 3.27Å
267	Y	98.9	Very high	98.8	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	109.6	-168.2	-40.5	-58	0	0	0	109.7	W200 S205 A207 Y208 L289 F291 L325 V328 K329	W200-Y267 HydrophobicContact CH2-CE1 4.39Å; S205-Y267 VanDerWaalsContact O-CE2 3.25Å; S205-Y267 WeakPolarHBondContact O-CE2 3.15Å; A207-Y267 CarbonylContact C-O 3.52Å; A207-Y267 WeakPolarHBondContact CA-O 3.43Å; Y208-Y267 PolarHBondContact N-O 2.96Å; Y267-L289 WeakPolarHBondContact CA-O 3.46Å; Y267-L289 HydrophobicContact CD1-CB 4.27Å; Y267-L289 HydrophobicContact CD1-CD2 4.39Å; Y267-F291 AromaticContact CD1-CE2 3.94Å; Y267-F291 HydrophobicContact CD1-CE2 3.94Å; Y267-F291 HydrophobicContact CG-CE2 4.15Å; Y267-L325 HydrophobicContact CD2-CD2 4.16Å; Y267-L325 HydrophobicContact CG-CD2 4.31Å; Y267-V328 HydrophobicContact CD1-CG2 3.99Å; Y267-V328 HydrophobicContact CE1-CB 4.21Å; Y267-V328 HydrophobicContact CE1-CG2 3.56Å; Y267-V328 HydrophobicContact CE2-CG2 4.44Å; Y267-K329 HydrophobicContact CE2-CG 4.19Å
268	L	99	Very high	98.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.2	-175.5	-62.8	-177.4	0	0	0	110.6	Y208 H262 L283 C286 L289 V290 F291	Y208-L268 HydrophobicContact CD1-CD2 4.34Å; H262-L268 HydrophobicContact CB-CD1 4.16Å; H262-L268 HydrophobicContact CB-CD2 4.07Å; L268-L283 HydrophobicContact CB-CB 4.22Å; L268-L283 HydrophobicContact CB-CD1 4.03Å; L268-L283 HydrophobicContact CB-CD2 4.19Å; L268-L283 HydrophobicContact CB-CG 4.37Å; L268-L283 HydrophobicContact CD1-CB 4.14Å; L268-L283 HydrophobicContact CD1-CD2 4.03Å; L268-C286 HydrophobicContact CD1-CB 4.06Å; L268-L289 PolarHBondContact N-O 3.32Å; L268-V290 CarbonylContact O-C 3.6Å; L268-V290 WeakPolarHBondContact O-CA 3.43Å; L268-F291 PolarHBondContact O-N 3.07Å
269	F	98.9	Very high	98.8	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.009	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	136.7	-177.9	-82.6	-104.5	0	0	0	112.7	A207 Y208 F209 L221 F271 F291 V293 V314 V321 L325	A207-F269 HydrophobicContact CB-CD2 4.05Å; A207-F269 HydrophobicContact CB-CE2 3.57Å; Y208-F269 PolarHBondContact O-N 3.3Å; F209-F269 HydrophobicContact CB-CB 4.4Å; F209-F269 HydrophobicContact CD2-CB 4.46Å; L221-F269 HydrophobicContact CD1-CD1 4.12Å; L221-F269 HydrophobicContact CD1-CE1 3.91Å; L221-F269 HydrophobicContact CD1-CE2 4.43Å; L221-F269 HydrophobicContact CD1-CG 4.45Å; L221-F269 HydrophobicContact CD1-CZ 4.08Å; L221-F269 HydrophobicContact CD2-CB 3.78Å; L221-F269 HydrophobicContact CD2-CD1 3.73Å; L221-F269 HydrophobicContact CD2-CD2 4.16Å; L221-F269 HydrophobicContact CD2-CE1 4.37Å; L221-F269 HydrophobicContact CD2-CG 3.6Å; F269-F271 HydrophobicContact CB-CD2 4.36Å; F269-F271 HydrophobicContact CB-CE2 3.76Å; F269-F271 HydrophobicContact CD1-CE2 4.02Å; F269-F271 HydrophobicContact CD1-CZ 4.14Å; F269-F271 HydrophobicContact CG-CE2 4.32Å; F269-F291 CarbonylContact C-O 3.59Å; F269-F291 WeakPolarHBondContact CA-O 3.35Å; F269-F291 HydrophobicContact CD1-CB 3.8Å; F269-F291 HydrophobicContact CD2-CB 4.03Å; F269-F291 HydrophobicContact CD2-CG 4.46Å; F269-F291 HydrophobicContact CE1-CB 3.76Å; F269-F291 HydrophobicContact CE1-CD1 4.1Å; F269-F291 HydrophobicContact CE1-CG 4.22Å; F269-F291 HydrophobicContact CE2-CB 3.94Å; F269-F291 HydrophobicContact CE2-CD1 4.18Å; F269-F291 HydrophobicContact CE2-CD2 4.45Å; F269-F291 AromaticContact CE2-CG 3.94Å; F269-F291 HydrophobicContact CE2-CG 3.94Å; F269-F291 HydrophobicContact CG-CB 3.95Å; F269-F291 HydrophobicContact CZ-CB 3.82Å; F269-F291 AromaticContact CZ-CD1 3.66Å; F269-F291 HydrophobicContact CZ-CD1 3.66Å; F269-F291 HydrophobicContact CZ-CE1 4.42Å; F269-F291 AromaticContact CZ-CG 3.83Å; F269-F291 HydrophobicContact CZ-CG 3.83Å; F269-V293 HydrophobicContact CD1-CG2 4.08Å; F269-V293 HydrophobicContact CE1-CG2 4.46Å; F269-V314 HydrophobicContact CE1-CG2 4.31Å; F269-V321 HydrophobicContact CE1-CG2 3.53Å; F269-V321 HydrophobicContact CZ-CG2 3.48Å; F269-V321 VanDerWaalsContact CZ-CG2 3.48Å; F269-L325 HydrophobicContact CE2-CD2 4.29Å; F269-L325 HydrophobicContact CZ-CD1 4.45Å; F269-L325 HydrophobicContact CZ-CD2 4.43Å
270	N	98.9	Very high	98.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.2	169.2	-175.4	60.2	0	0	0	111.1	F280 L283 V290 F291 H292 V293	N270-F280 HydrophobicContact CB-CD2 3.65Å; N270-F280 HydrophobicContact CB-CE2 4.29Å; N270-F280 HydrophobicContact CB-CG 4.46Å; N270-F280 VanDerWaalsContact CG-CD2 3.45Å; N270-F280 WeakPolarHBondContact ND2-CB 3.28Å; N270-F280 VanDerWaalsContact ND2-CD2 3.28Å; N270-F280 WeakPolarHBondContact ND2-CD2 3.21Å; N270-F280 WeakPolarHBondContact ND2-CG 3.5Å; N270-F280 PolarHBondContact OD1-N 2.55Å; N270-L283 HydrophobicContact CB-CD1 3.91Å; N270-V290 HydrophobicContact CB-CG1 4.36Å; N270-F291 PolarHBondContact N-O 2.78Å; N270-H292 PolarHBondContact ND2-CE1 3.43Å; N270-H292 PolarHBondContact ND2-ND1 2.77Å; N270-V293 PolarHBondContact O-N 3.13Å
271	F	98.9	Very high	98.8	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	10%	0.095	C	C	.	.			trans	-141.1	154.4	178	-67.9	-100.6	0	0	0	109.7	F209 E217 R218 L221 F269 S277 V293 L318	F209-F271 HydrophobicContact CD2-CD2 4.15Å; F209-F271 HydrophobicContact CD2-CE2 4.31Å; F209-F271 AromaticContact CE2-CD2 3.96Å; F209-F271 HydrophobicContact CE2-CD2 3.96Å; F209-F271 HydrophobicContact CE2-CE2 4.5Å; E217-F271 WeakPolarHBondContact O-CE1 3.46Å; R218-F271 HydrophobicContact CB-CD1 4.47Å; R218-F271 HydrophobicContact CG-CB 3.69Å; R218-F271 HydrophobicContact CG-CD1 3.81Å; R218-F271 HydrophobicContact CG-CD2 4.1Å; R218-F271 HydrophobicContact CG-CE1 4.4Å; R218-F271 HydrophobicContact CG-CG 3.64Å; L221-F271 HydrophobicContact CB-CE2 4.41Å; L221-F271 HydrophobicContact CB-CZ 3.8Å; L221-F271 HydrophobicContact CD2-CE2 3.49Å; L221-F271 VanDerWaalsContact CD2-CE2 3.49Å; L221-F271 HydrophobicContact CD2-CZ 3.64Å; L221-F271 HydrophobicContact CG-CZ 4.27Å; F269-F271 HydrophobicContact CB-CD2 4.36Å; F269-F271 HydrophobicContact CB-CE2 3.76Å; F269-F271 HydrophobicContact CD1-CE2 4.02Å; F269-F271 HydrophobicContact CD1-CZ 4.14Å; F269-F271 HydrophobicContact CG-CE2 4.32Å; F271-S277 WeakPolarHBondContact O-CB 3.46Å; F271-V293 HydrophobicContact CD1-CB 3.62Å; F271-V293 HydrophobicContact CD1-CG1 3.71Å; F271-V293 HydrophobicContact CD1-CG2 3.86Å; F271-V293 HydrophobicContact CE1-CB 3.74Å; F271-V293 HydrophobicContact CE1-CG1 3.71Å; F271-V293 HydrophobicContact CE1-CG2 3.51Å; F271-V293 HydrophobicContact CE2-CG2 4.22Å; F271-V293 HydrophobicContact CG-CB 4.2Å; F271-V293 HydrophobicContact CG-CG2 4.37Å; F271-V293 HydrophobicContact CZ-CB 4.37Å; F271-V293 HydrophobicContact CZ-CG2 3.67Å; F271-L318 HydrophobicContact CE1-CD1 3.7Å; F271-L318 HydrophobicContact CE1-CD2 4.22Å; F271-L318 HydrophobicContact CZ-CD1 4.24Å; F271-L318 HydrophobicContact CZ-CD2 4.05Å
272	R	98.8	Very high	98.8	Very high	46 Å²	46	15.6 Å²	15.6	17%	0.174	8%	0.076	C	C	.	.			trans	-57.1	159.5	161.1	67.6	157.9	-66.4	-176.6	6.3	112.2	E217 R218 V274 A275 W297	E217-R272 WeakPolarHBondContact OE1-CD 3.44Å; E217-R272 IonicContact OE1-NH1 3.36Å; E217-R272 VanDerWaalsContact OE2-CD 3.24Å; E217-R272 WeakPolarHBondContact OE2-CD 3.15Å; E217-R272 VanDerWaalsContact OE2-CG 3.28Å; E217-R272 WeakPolarHBondContact OE2-CG 3.13Å; R218-R272 VanDerWaalsContact CZ-O 3.28Å; R218-R272 PolarHBondContact NE-O 2.82Å; R218-R272 PolarHBondContact NH2-O 3.07Å; R272-V274 PolarHBondContact NH2-O 3.43Å; R272-A275 CarbonylContact C-O 3.07Å; R272-A275 WeakPolarHBondContact CA-O 3.4Å; R272-A275 WeakPolarHBondContact CB-O 3.28Å; R272-W297 HydrophobicContact CB-CB 4.25Å; R272-W297 HydrophobicContact CB-CG 4.17Å
273	G	97.8	Very high	98.8	Very high	5 Å²	5	15.4 Å²	15.4	5%	0.052	8%	0.076	C	C	.	.	S	Bend	trans	-118.1	-124.5	164.8	0	0	0	0	0	109.6	T214 A275	T214-G273 CarbonylContact O-C 3.59Å; T214-G273 WeakPolarHBondContact OG1-CA 3.47Å; G273-A275 VanDerWaalsContact C-N 3.25Å; G273-A275 CarbonylContact C-O 3.54Å; G273-A275 PolarHBondContact N-O 3.17Å; G273-A275 PolarHBondContact O-N 3.35Å
274	V	98.2	Very high	98.8	Very high	61 Å²	61	15.5 Å²	15.5	37%	0.37	8%	0.076	S	C	.	.	S	Bend	trans	-58	-44	168	177	0	0	0	0	110	D133 Y134 R272	D133-V274 HydrophobicContact CB-CB 4.03Å; D133-V274 HydrophobicContact CB-CG1 3.65Å; Y134-V274 HydrophobicContact CD2-CG1 3.92Å; R272-V274 PolarHBondContact NH2-O 3.43Å
275	A	98.5	Very high	98.8	Very high	3 Å²	3	12 Å²	12	3%	0.025	6%	0.061	C	C	.	.	S	Bend	trans	-132.3	-146.8	170	0	0	0	0	0	109.8	D133 F150 R272 G273 W297	D133-A275 WeakPolarHBondContact O-CB 3.24Å; F150-A275 HydrophobicContact CE1-CB 4.35Å; F150-A275 HydrophobicContact CZ-CB 4.09Å; R272-A275 CarbonylContact C-O 3.07Å; R272-A275 WeakPolarHBondContact CA-O 3.4Å; R272-A275 WeakPolarHBondContact CB-O 3.28Å; G273-A275 VanDerWaalsContact C-N 3.25Å; G273-A275 CarbonylContact C-O 3.54Å; G273-A275 PolarHBondContact N-O 3.17Å; G273-A275 PolarHBondContact O-N 3.35Å; A275-W297 HydrophobicContact CB-CD2 4.3Å; A275-W297 HydrophobicContact CB-CE3 3.45Å; A275-W297 VanDerWaalsContact CB-CE3 3.45Å; A275-W297 HydrophobicContact CB-CH2 4.16Å; A275-W297 HydrophobicContact CB-CZ3 3.37Å
276	A	98.7	Very high	98.8	Very high	10 Å²	10	11 Å²	11	8%	0.083	6%	0.057	C	C	.	.	S	Bend	trans	-58	157.4	167.8	0	0	0	0	0	111.6	S151 W297 E299 Y302	S151-A276 WeakPolarHBondContact OG-CB 3.48Å; S151-A276 PolarHBondContact OG-N 2.99Å; A276-W297 HydrophobicContact CB-CB 4.32Å; A276-E299 HydrophobicContact CB-CG 3.69Å; A276-Y302 HydrophobicContact CB-CE2 4.27Å
277	S	98.8	Very high	98.8	Very high	19 Å²	19	11.1 Å²	11.1	13%	0.133	6%	0.062	C	C	.	.			trans	-114.3	126	-176.1	-171.1	0	0	0	0	111.8	F271 R279 F280 Y302	F271-S277 WeakPolarHBondContact O-CB 3.46Å; S277-R279 PolarHBondContact O-N 3.13Å; S277-R279 PolarHBondContact OG-NH1 3.14Å; S277-F280 PolarHBondContact O-N 3.13Å; S277-Y302 PolarHBondContact O-OH 2.81Å
278	F	98.8	Very high	98.8	Very high	18 Å²	18	11.1 Å²	11.1	8%	0.079	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-19.4	175.3	-54.9	-34.5	0	0	0	114.6	F150 A163 W164 T165 P171 L181 F280 H282	F150-F278 AromaticContact CD2-CE1 3.61Å; F150-F278 HydrophobicContact CD2-CE1 3.61Å; F150-F278 HydrophobicContact CD2-CZ 4.29Å; F150-F278 HydrophobicContact CE2-CD1 4.12Å; F150-F278 AromaticContact CE2-CE1 3.33Å; F150-F278 HydrophobicContact CE2-CE1 3.33Å; F150-F278 AromaticContact CE2-CZ 3.99Å; F150-F278 HydrophobicContact CE2-CZ 3.99Å; F150-F278 HydrophobicContact CG-CE1 4.47Å; F150-F278 HydrophobicContact CZ-CE1 4.02Å; F150-F278 HydrophobicContact CZ-CZ 4.26Å; A163-F278 HydrophobicContact CB-CD1 4.49Å; A163-F278 HydrophobicContact CB-CE1 3.63Å; A163-F278 HydrophobicContact CB-CZ 4.13Å; W164-F278 AromaticContact CE2-CZ 3.98Å; W164-F278 AromaticContact CZ2-CZ 3.9Å; W164-F278 HydrophobicContact CZ2-CZ 3.9Å; W164-F278 AromaticContact NE1-CZ 3.9Å; T165-F278 HydrophobicContact CG2-CB 4.3Å; T165-F278 HydrophobicContact CG2-CD1 3.66Å; T165-F278 HydrophobicContact CG2-CD2 3.87Å; T165-F278 HydrophobicContact CG2-CE1 3.8Å; T165-F278 HydrophobicContact CG2-CE2 4.03Å; T165-F278 HydrophobicContact CG2-CG 3.7Å; T165-F278 HydrophobicContact CG2-CZ 4Å; P171-F278 HydrophobicContact CG-CD2 4.33Å; L181-F278 HydrophobicContact CD2-CB 4.21Å; F278-F280 PolarHBondContact O-N 2.77Å; F278-H282 PolarHBondContact O-CE1 3.31Å; F278-H282 PolarHBondContact O-ND1 3.28Å
279	R	98.9	Very high	98.8	Very high	40 Å²	40	11.1 Å²	11.1	15%	0.151	6%	0.062	C	C	.	.	H	α-helix	trans	-53.4	-39	174.6	176.7	-179.2	-71.1	86.1	4.8	111.8	R210 L259 S277 K281 H282 L283	R210-R279 PolarHBondContact O-NH2 3.33Å; L259-R279 HydrophobicContact CD2-CG 4.44Å; S277-R279 PolarHBondContact O-N 3.13Å; S277-R279 PolarHBondContact OG-NH1 3.14Å; R279-K281 PolarHBondContact O-N 3.29Å; R279-H282 WeakPolarHBondContact O-CB 3.31Å; R279-H282 PolarHBondContact O-N 2.77Å; R279-L283 HydrophobicContact CG-CD1 3.98Å; R279-L283 HydrophobicContact CG-CD2 3.72Å; R279-L283 HydrophobicContact CG-CG 3.89Å; R279-L283 PolarHBondContact O-N 3.01Å
280	F	98.9	Very high	98.8	Very high	1 Å²	1	11 Å²	11	0%	0.004	6%	0.062	C	C	.	.	H	α-helix	trans	-53.1	-54.3	-165.7	-170	-141.4	0	0	0	113.7	N270 S277 F278 H282 L283 F284 V290 H292 F301 Y302 L305 Y311	N270-F280 HydrophobicContact CB-CD2 3.65Å; N270-F280 HydrophobicContact CB-CE2 4.29Å; N270-F280 HydrophobicContact CB-CG 4.46Å; N270-F280 VanDerWaalsContact CG-CD2 3.45Å; N270-F280 WeakPolarHBondContact ND2-CB 3.28Å; N270-F280 VanDerWaalsContact ND2-CD2 3.28Å; N270-F280 WeakPolarHBondContact ND2-CD2 3.21Å; N270-F280 WeakPolarHBondContact ND2-CG 3.5Å; N270-F280 PolarHBondContact OD1-N 2.55Å; S277-F280 PolarHBondContact O-N 3.13Å; F278-F280 PolarHBondContact O-N 2.77Å; F280-H282 PolarHBondContact O-N 3.22Å; F280-L283 PolarHBondContact O-N 3.13Å; F280-F284 HydrophobicContact CD1-CE2 4.16Å; F280-F284 AromaticContact CD2-CE2 3.61Å; F280-F284 HydrophobicContact CD2-CE2 3.61Å; F280-F284 HydrophobicContact CD2-CZ 4.07Å; F280-F284 HydrophobicContact CE1-CE2 4.02Å; F280-F284 HydrophobicContact CE1-CZ 4.27Å; F280-F284 AromaticContact CE2-CE2 3.41Å; F280-F284 HydrophobicContact CE2-CE2 3.41Å; F280-F284 VanDerWaalsContact CE2-CE2 3.41Å; F280-F284 AromaticContact CE2-CZ 3.38Å; F280-F284 HydrophobicContact CE2-CZ 3.38Å; F280-F284 HydrophobicContact CG-CE2 4.01Å; F280-F284 AromaticContact CZ-CE2 3.64Å; F280-F284 HydrophobicContact CZ-CE2 3.64Å; F280-F284 AromaticContact CZ-CZ 3.52Å; F280-F284 HydrophobicContact CZ-CZ 3.52Å; F280-F284 VanDerWaalsContact O-CD2 3.24Å; F280-F284 WeakPolarHBondContact O-CD2 3.46Å; F280-V290 HydrophobicContact CD2-CG1 3.98Å; F280-V290 HydrophobicContact CE2-CG1 3.69Å; F280-H292 AromaticContact CE1-CD2 3.97Å; F280-H292 HydrophobicContact CE2-CB 3.86Å; F280-H292 AromaticContact CE2-CD2 3.85Å; F280-H292 AromaticContact CE2-CG 3.77Å; F280-H292 HydrophobicContact CZ-CB 4.18Å; F280-H292 AromaticContact CZ-CD2 3.42Å; F280-H292 VanDerWaalsContact CZ-CD2 3.42Å; F280-H292 WeakPolarHBondContact CZ-CD2 3.49Å; F280-H292 AromaticContact CZ-CG 3.84Å; F280-F301 HydrophobicContact CD1-CE2 4.2Å; F280-Y302 WeakPolarHBondContact CB-OH 3.3Å; F280-Y302 HydrophobicContact CD1-CD1 4.03Å; F280-Y302 HydrophobicContact CD1-CD2 4.29Å; F280-Y302 AromaticContact CD1-CE1 3.49Å; F280-Y302 HydrophobicContact CD1-CE1 3.49Å; F280-Y302 VanDerWaalsContact CD1-CE1 3.49Å; F280-Y302 AromaticContact CD1-CE2 3.78Å; F280-Y302 HydrophobicContact CD1-CE2 3.78Å; F280-Y302 HydrophobicContact CD1-CG 4.41Å; F280-Y302 AromaticContact CD1-CZ 3.32Å; F280-Y302 WeakPolarHBondContact CD1-OH 3.23Å; F280-Y302 HydrophobicContact CE1-CD1 4.26Å; F280-Y302 HydrophobicContact CE1-CD2 4.16Å; F280-Y302 HydrophobicContact CE1-CE1 4.15Å; F280-Y302 HydrophobicContact CE1-CE2 4.03Å; F280-Y302 HydrophobicContact CE1-CG 4.27Å; F280-Y302 HydrophobicContact CG-CE1 4.47Å; F280-L305 HydrophobicContact CD1-CD1 4.1Å; F280-L305 HydrophobicContact CE1-CD1 3.43Å; F280-L305 VanDerWaalsContact CE1-CD1 3.43Å; F280-L305 HydrophobicContact CZ-CD1 3.98Å; F280-Y311 HydrophobicContact CZ-CD1 4.1Å; F280-Y311 HydrophobicContact CZ-CE1 4.17Å
281	K	98.9	Very high	98.8	Very high	1 Å²	1	11 Å²	11	0%	0.004	6%	0.062	C	C	.	.	H	α-helix	trans	-58.3	-31.6	-178.9	61	173	176.6	-74.5	0	114	F166 W184 R279 F301 L350	F166-K281 HydrophobicContact CD1-CD 4.4Å; F166-K281 HydrophobicContact CE1-CD 3.55Å; F166-K281 HydrophobicContact CZ-CD 3.91Å; W184-K281 HydrophobicContact CD2-CD 4.07Å; W184-K281 HydrophobicContact CE3-CD 4Å; W184-K281 HydrophobicContact CH2-CB 4.11Å; W184-K281 HydrophobicContact CH2-CD 4.08Å; W184-K281 HydrophobicContact CH2-CG 4.07Å; W184-K281 HydrophobicContact CZ2-CB 4.44Å; W184-K281 HydrophobicContact CZ2-CD 4.15Å; W184-K281 HydrophobicContact CZ3-CD 4.02Å; W184-K281 HydrophobicContact CZ3-CG 4.07Å; R279-K281 PolarHBondContact O-N 3.29Å; K281-F301 HydrophobicContact CB-CE2 4.28Å; K281-F301 HydrophobicContact CB-CZ 3.9Å; K281-L350 HydrophobicContact CB-CD2 3.87Å; K281-L350 HydrophobicContact CD-CD2 4.21Å
282	H	98.9	Very high	98.8	Very high	3 Å²	3	11.5 Å²	11.5	1%	0.014	6%	0.064	C	C	.	.	H	α-helix	trans	-73.8	-34.1	-176.8	-56.7	87.7	0	0	0	111.8	W184 F187 L191 L259 F278 R279 F280 F284 L285	W184-H282 AromaticContact CE3-NE2 3.89Å; W184-H282 AromaticContact CZ3-CD2 3.58Å; W184-H282 AromaticContact CZ3-NE2 3.9Å; F187-H282 AromaticContact CD1-CD2 3.78Å; L191-H282 HydrophobicContact CD1-CB 3.79Å; L259-H282 HydrophobicContact CD1-CB 3.92Å; L259-H282 HydrophobicContact CD2-CB 4.25Å; F278-H282 PolarHBondContact O-CE1 3.31Å; F278-H282 PolarHBondContact O-ND1 3.28Å; R279-H282 WeakPolarHBondContact O-CB 3.31Å; R279-H282 PolarHBondContact O-N 2.77Å; F280-H282 PolarHBondContact O-N 3.22Å; H282-F284 VanDerWaalsContact C-N 3.3Å; H282-F284 PolarHBondContact O-N 3.43Å; H282-L285 PolarHBondContact O-N 2.75Å
283	L	98.9	Very high	98.8	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-64.2	-36.1	-173.6	-55.6	-176.4	0	0	0	112.3	L259 L268 N270 R279 F280 L285 C286 V290	L259-L283 HydrophobicContact CD2-CD2 4.38Å; L268-L283 HydrophobicContact CB-CB 4.22Å; L268-L283 HydrophobicContact CB-CD1 4.03Å; L268-L283 HydrophobicContact CB-CD2 4.19Å; L268-L283 HydrophobicContact CB-CG 4.37Å; L268-L283 HydrophobicContact CD1-CB 4.14Å; L268-L283 HydrophobicContact CD1-CD2 4.03Å; N270-L283 HydrophobicContact CB-CD1 3.91Å; R279-L283 HydrophobicContact CG-CD1 3.98Å; R279-L283 HydrophobicContact CG-CD2 3.72Å; R279-L283 HydrophobicContact CG-CG 3.89Å; R279-L283 PolarHBondContact O-N 3.01Å; F280-L283 PolarHBondContact O-N 3.13Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 3.2Å; L283-C286 WeakPolarHBondContact O-CB 3.49Å; L283-C286 PolarHBondContact O-N 2.82Å; L283-V290 HydrophobicContact CB-CG1 4.46Å; L283-V290 HydrophobicContact CB-CG2 3.67Å; L283-V290 HydrophobicContact CD1-CG1 4.12Å
284	F	98.9	Very high	98.8	Very high	1 Å²	1	9.9 Å²	9.9	0%	0.004	6%	0.062	C	C	.	.	H	α-helix	trans	-63.3	-36.8	178.9	-66.5	-76.9	0	0	0	112.7	F280 H282 C286 G287 V290 L305 H310 Y311 S343 I346	F280-F284 HydrophobicContact CD1-CE2 4.16Å; F280-F284 AromaticContact CD2-CE2 3.61Å; F280-F284 HydrophobicContact CD2-CE2 3.61Å; F280-F284 HydrophobicContact CD2-CZ 4.07Å; F280-F284 HydrophobicContact CE1-CE2 4.02Å; F280-F284 HydrophobicContact CE1-CZ 4.27Å; F280-F284 AromaticContact CE2-CE2 3.41Å; F280-F284 HydrophobicContact CE2-CE2 3.41Å; F280-F284 VanDerWaalsContact CE2-CE2 3.41Å; F280-F284 AromaticContact CE2-CZ 3.38Å; F280-F284 HydrophobicContact CE2-CZ 3.38Å; F280-F284 HydrophobicContact CG-CE2 4.01Å; F280-F284 AromaticContact CZ-CE2 3.64Å; F280-F284 HydrophobicContact CZ-CE2 3.64Å; F280-F284 AromaticContact CZ-CZ 3.52Å; F280-F284 HydrophobicContact CZ-CZ 3.52Å; F280-F284 VanDerWaalsContact O-CD2 3.24Å; F280-F284 WeakPolarHBondContact O-CD2 3.46Å; H282-F284 VanDerWaalsContact C-N 3.3Å; H282-F284 PolarHBondContact O-N 3.43Å; F284-C286 PolarHBondContact O-N 3.05Å; F284-G287 PolarHBondContact O-N 2.83Å; F284-V290 HydrophobicContact CD1-CB 4.22Å; F284-V290 HydrophobicContact CD1-CG2 3.52Å; F284-V290 HydrophobicContact CD2-CG2 4.22Å; F284-V290 HydrophobicContact CE1-CB 3.78Å; F284-V290 HydrophobicContact CE1-CG1 4.39Å; F284-V290 HydrophobicContact CE1-CG2 3.6Å; F284-V290 HydrophobicContact CE2-CG2 4.3Å; F284-V290 HydrophobicContact CG-CG2 3.85Å; F284-V290 HydrophobicContact CZ-CB 4.03Å; F284-V290 HydrophobicContact CZ-CG1 4.12Å; F284-V290 HydrophobicContact CZ-CG2 4.01Å; F284-L305 HydrophobicContact CE2-CD1 3.95Å; F284-L305 HydrophobicContact CE2-CD2 4.5Å; F284-L305 HydrophobicContact CZ-CD1 4.15Å; F284-L305 HydrophobicContact CZ-CD2 4.21Å; F284-H310 WeakPolarHBondContact CE1-O 3.4Å; F284-Y311 HydrophobicContact CE1-CD1 4.49Å; F284-Y311 HydrophobicContact CZ-CD1 4.16Å; F284-S343 WeakPolarHBondContact O-CA 3.43Å; F284-S343 VanDerWaalsContact O-CB 3.25Å; F284-S343 WeakPolarHBondContact O-CB 3.43Å; F284-S343 PolarHBondContact O-OG 3.2Å; F284-I346 HydrophobicContact CB-CB 4.14Å; F284-I346 HydrophobicContact CB-CG1 3.64Å; F284-I346 HydrophobicContact CD2-CD1 4.23Å; F284-I346 HydrophobicContact CD2-CG1 3.74Å; F284-I346 HydrophobicContact CG-CG1 3.76Å
285	L	98.9	Very high	98.8	Very high	1 Å²	1	13 Å²	13	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-72.5	-9.8	-178.9	-66.5	-174.5	0	0	0	113.6	W184 R188 L191 A195 H282 L283 G287 I346 R347	W184-L285 HydrophobicContact CH2-CD1 3.32Å; W184-L285 HydrophobicContact CH2-CG 4.13Å; W184-L285 HydrophobicContact CZ2-CD1 3.88Å; W184-L285 HydrophobicContact CZ3-CD1 4.01Å; R188-L285 HydrophobicContact CB-CD1 3.98Å; R188-L285 HydrophobicContact CG-CD1 3.65Å; L191-L285 HydrophobicContact CB-CB 3.64Å; L191-L285 HydrophobicContact CB-CD1 4.44Å; L191-L285 HydrophobicContact CD1-CB 4.07Å; L191-L285 HydrophobicContact CD1-CD1 4.26Å; L191-L285 HydrophobicContact CG-CB 4.44Å; A195-L285 VanDerWaalsContact CB-O 3.31Å; A195-L285 WeakPolarHBondContact CB-O 3.41Å; H282-L285 PolarHBondContact O-N 2.75Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 3.2Å; L285-G287 PolarHBondContact O-N 2.95Å; L285-I346 HydrophobicContact CD1-CG2 4.21Å; L285-I346 HydrophobicContact CD2-CB 4.17Å; L285-I346 HydrophobicContact CD2-CG2 3.77Å; L285-I346 HydrophobicContact CG-CG2 3.79Å; L285-R347 HydrophobicContact CD2-CB 4.48Å; L285-R347 HydrophobicContact CD2-CG 3.46Å; L285-R347 VanDerWaalsContact CD2-CG 3.46Å
286	C	98.9	Very high	98.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.007	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.1	167.6	-77.2	0	0	0	0	113.8	A195 K203 C263 L268 L283 F284 S288	A195-C286 VanDerWaalsContact CB-C 3.49Å; A195-C286 WeakPolarHBondContact CB-O 3.32Å; K203-C286 PolarHBondContact NZ-O 3.43Å; C263-C286 WeakPolarHBondContact CA-SG 3.38Å; C263-C286 HydrophobicContact CB-CB 3.46Å; C263-C286 VanDerWaalsContact CB-CB 3.46Å; C263-C286 WeakPolarHBondContact CB-SG 3.42Å; C263-C286 PolarHBondContact N-SG 3.15Å; C263-C286 VanDerWaalsContact N-SG 3.44Å; C263-C286 WeakPolarHBondContact SG-CA 3.38Å; C263-C286 WeakPolarHBondContact SG-CB 3.48Å; C263-C286 CovalentContact SG-SG 2.05Å; C263-C286 PolarHBondContact SG-SG 3.39Å; L268-C286 HydrophobicContact CD1-CB 4.06Å; L283-C286 WeakPolarHBondContact O-CB 3.49Å; L283-C286 PolarHBondContact O-N 2.82Å; F284-C286 PolarHBondContact O-N 3.05Å; C286-S288 PolarHBondContact O-N 2.73Å
287	G	98.8	Very high	98.9	Very high	17 Å²	17	18.1 Å²	18.1	18%	0.175	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	23.2	-168.2	0	0	0	0	0	112.4	K203 F284 L285	K203-G287 WeakPolarHBondContact CE-O 3.3Å; F284-G287 PolarHBondContact O-N 2.83Å; L285-G287 PolarHBondContact O-N 2.95Å
288	S	98.9	Very high	98.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-98.8	153.7	176.9	-63.5	0	0	0	0	109.5	Y265 K266 C286 V290	Y265-S288 VanDerWaalsContact O-CB 3.3Å; Y265-S288 WeakPolarHBondContact O-CB 3.12Å; Y265-S288 PolarHBondContact O-OG 3.5Å; K266-S288 CarbonylContact O-C 3.6Å; K266-S288 WeakPolarHBondContact O-CB 3.39Å; C286-S288 PolarHBondContact O-N 2.73Å; S288-V290 PolarHBondContact O-N 3.4Å
289	L	98.9	Very high	98.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	118.9	176.1	-177.9	57.7	0	0	0	110.1	W200 K266 Y267 L268 F291 I312 V328 A335 I338 A339	W200-L289 HydrophobicContact CH2-CB 3.92Å; W200-L289 HydrophobicContact CZ3-CB 4.09Å; K266-L289 PolarHBondContact O-N 3.24Å; Y267-L289 WeakPolarHBondContact CA-O 3.46Å; Y267-L289 HydrophobicContact CD1-CB 4.27Å; Y267-L289 HydrophobicContact CD1-CD2 4.39Å; L268-L289 PolarHBondContact N-O 3.32Å; L289-F291 HydrophobicContact CD2-CE2 3.94Å; L289-F291 HydrophobicContact CG-CD2 4.4Å; L289-F291 HydrophobicContact CG-CE2 4.01Å; L289-I312 HydrophobicContact CD1-CD1 4.48Å; L289-I312 HydrophobicContact CD1-CG1 3.99Å; L289-I312 HydrophobicContact CD2-CD1 4.22Å; L289-I312 HydrophobicContact CD2-CG1 3.72Å; L289-I312 HydrophobicContact CG-CG1 3.93Å; L289-V328 HydrophobicContact CD2-CB 4.18Å; L289-V328 HydrophobicContact CD2-CG1 3.75Å; L289-A335 HydrophobicContact CD2-CB 3.74Å; L289-I338 HydrophobicContact CD1-CB 3.78Å; L289-I338 HydrophobicContact CD1-CG2 3.49Å; L289-I338 VanDerWaalsContact CD1-CG2 3.49Å; L289-A339 HydrophobicContact CB-CB 4Å; L289-A339 HydrophobicContact CD1-CB 4.28Å
290	V	99	Very high	98.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	133.1	178.8	-175	0	0	0	0	110.3	L268 N270 F280 L283 F284 S288 Y311 I312	L268-V290 CarbonylContact O-C 3.6Å; L268-V290 WeakPolarHBondContact O-CA 3.43Å; N270-V290 HydrophobicContact CB-CG1 4.36Å; F280-V290 HydrophobicContact CD2-CG1 3.98Å; F280-V290 HydrophobicContact CE2-CG1 3.69Å; L283-V290 HydrophobicContact CB-CG1 4.46Å; L283-V290 HydrophobicContact CB-CG2 3.67Å; L283-V290 HydrophobicContact CD1-CG1 4.12Å; F284-V290 HydrophobicContact CD1-CB 4.22Å; F284-V290 HydrophobicContact CD1-CG2 3.52Å; F284-V290 HydrophobicContact CD2-CG2 4.22Å; F284-V290 HydrophobicContact CE1-CB 3.78Å; F284-V290 HydrophobicContact CE1-CG1 4.39Å; F284-V290 HydrophobicContact CE1-CG2 3.6Å; F284-V290 HydrophobicContact CE2-CG2 4.3Å; F284-V290 HydrophobicContact CG-CG2 3.85Å; F284-V290 HydrophobicContact CZ-CB 4.03Å; F284-V290 HydrophobicContact CZ-CG1 4.12Å; F284-V290 HydrophobicContact CZ-CG2 4.01Å; S288-V290 PolarHBondContact O-N 3.4Å; V290-Y311 WeakPolarHBondContact O-CB 3.25Å; V290-I312 PolarHBondContact O-N 2.82Å
291	F	98.9	Very high	98.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	106.4	169.4	-81.3	-112.9	0	0	0	107.8	Y267 L268 F269 N270 L289 I312 V314 L324 L325 V328	Y267-F291 AromaticContact CD1-CE2 3.94Å; Y267-F291 HydrophobicContact CD1-CE2 3.94Å; Y267-F291 HydrophobicContact CG-CE2 4.15Å; L268-F291 PolarHBondContact O-N 3.07Å; F269-F291 CarbonylContact C-O 3.59Å; F269-F291 WeakPolarHBondContact CA-O 3.35Å; F269-F291 HydrophobicContact CD1-CB 3.8Å; F269-F291 HydrophobicContact CD2-CB 4.03Å; F269-F291 HydrophobicContact CD2-CG 4.46Å; F269-F291 HydrophobicContact CE1-CB 3.76Å; F269-F291 HydrophobicContact CE1-CD1 4.1Å; F269-F291 HydrophobicContact CE1-CG 4.22Å; F269-F291 HydrophobicContact CE2-CB 3.94Å; F269-F291 HydrophobicContact CE2-CD1 4.18Å; F269-F291 HydrophobicContact CE2-CD2 4.45Å; F269-F291 AromaticContact CE2-CG 3.94Å; F269-F291 HydrophobicContact CE2-CG 3.94Å; F269-F291 HydrophobicContact CG-CB 3.95Å; F269-F291 HydrophobicContact CZ-CB 3.82Å; F269-F291 AromaticContact CZ-CD1 3.66Å; F269-F291 HydrophobicContact CZ-CD1 3.66Å; F269-F291 HydrophobicContact CZ-CE1 4.42Å; F269-F291 AromaticContact CZ-CG 3.83Å; F269-F291 HydrophobicContact CZ-CG 3.83Å; N270-F291 PolarHBondContact N-O 2.78Å; L289-F291 HydrophobicContact CD2-CE2 3.94Å; L289-F291 HydrophobicContact CG-CD2 4.4Å; L289-F291 HydrophobicContact CG-CE2 4.01Å; F291-I312 WeakPolarHBondContact CA-O 3.36Å; F291-I312 HydrophobicContact CD1-CB 4.02Å; F291-I312 HydrophobicContact CD1-CG2 3.87Å; F291-I312 HydrophobicContact CD2-CB 4.31Å; F291-I312 HydrophobicContact CD2-CG1 4.41Å; F291-I312 HydrophobicContact CE1-CB 4.04Å; F291-I312 HydrophobicContact CE1-CG1 4.34Å; F291-I312 HydrophobicContact CE1-CG2 3.69Å; F291-I312 HydrophobicContact CE2-CB 4.3Å; F291-I312 HydrophobicContact CE2-CG1 4.02Å; F291-I312 HydrophobicContact CG-CB 4.15Å; F291-I312 HydrophobicContact CZ-CB 4.17Å; F291-I312 HydrophobicContact CZ-CG1 3.98Å; F291-I312 HydrophobicContact CZ-CG2 4.17Å; F291-V314 HydrophobicContact CB-CG2 4Å; F291-V314 HydrophobicContact CD1-CG2 3.65Å; F291-V314 HydrophobicContact CG-CG2 4.3Å; F291-L324 HydrophobicContact CE1-CB 3.9Å; F291-L325 HydrophobicContact CE1-CD2 4.05Å; F291-L325 HydrophobicContact CE1-CG 4.34Å; F291-L325 HydrophobicContact CE2-CD2 4.45Å; F291-L325 HydrophobicContact CZ-CD2 3.91Å; F291-V328 HydrophobicContact CE2-CG2 4.36Å; F291-V328 HydrophobicContact CZ-CB 4.48Å; F291-V328 HydrophobicContact CZ-CG1 3.89Å; F291-V328 HydrophobicContact CZ-CG2 3.8Å
292	H	98.9	Very high	98.9	Very high	12 Å²	12	17 Å²	17	6%	0.056	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	118.3	-179.3	-171.6	8.6	0	0	0	110.1	N270 F280 Y302 Y311 I312 V314	N270-H292 PolarHBondContact ND2-CE1 3.43Å; N270-H292 PolarHBondContact ND2-ND1 2.77Å; F280-H292 AromaticContact CE1-CD2 3.97Å; F280-H292 HydrophobicContact CE2-CB 3.86Å; F280-H292 AromaticContact CE2-CD2 3.85Å; F280-H292 AromaticContact CE2-CG 3.77Å; F280-H292 HydrophobicContact CZ-CB 4.18Å; F280-H292 AromaticContact CZ-CD2 3.42Å; F280-H292 VanDerWaalsContact CZ-CD2 3.42Å; F280-H292 WeakPolarHBondContact CZ-CD2 3.49Å; F280-H292 AromaticContact CZ-CG 3.84Å; H292-Y302 AromaticContact NE2-CE2 3.86Å; H292-Y311 HydrophobicContact CB-CD2 3.56Å; H292-Y311 HydrophobicContact CB-CE2 3.71Å; H292-Y311 HydrophobicContact CB-CG 4.21Å; H292-I312 PolarHBondContact N-O 3.3Å; H292-V314 PolarHBondContact O-N 2.65Å
293	V	98.9	Very high	98.9	Very high	3 Å²	3	19 Å²	19	2%	0.018	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.1	178.8	177.4	0	0	0	0	110.7	F269 N270 F271 V314 L318	F269-V293 HydrophobicContact CD1-CG2 4.08Å; F269-V293 HydrophobicContact CE1-CG2 4.46Å; N270-V293 PolarHBondContact O-N 3.13Å; F271-V293 HydrophobicContact CD1-CB 3.62Å; F271-V293 HydrophobicContact CD1-CG1 3.71Å; F271-V293 HydrophobicContact CD1-CG2 3.86Å; F271-V293 HydrophobicContact CE1-CB 3.74Å; F271-V293 HydrophobicContact CE1-CG1 3.71Å; F271-V293 HydrophobicContact CE1-CG2 3.51Å; F271-V293 HydrophobicContact CE2-CG2 4.22Å; F271-V293 HydrophobicContact CG-CB 4.2Å; F271-V293 HydrophobicContact CG-CG2 4.37Å; F271-V293 HydrophobicContact CZ-CB 4.37Å; F271-V293 HydrophobicContact CZ-CG2 3.67Å; V293-V314 WeakPolarHBondContact CA-O 3.32Å; V293-V314 HydrophobicContact CB-CB 4.4Å; V293-V314 HydrophobicContact CG2-CB 3.73Å; V293-V314 HydrophobicContact CG2-CG1 3.94Å; V293-V314 HydrophobicContact CG2-CG2 4.25Å; V293-L318 HydrophobicContact CB-CD1 4.25Å; V293-L318 HydrophobicContact CG1-CD1 3.39Å; V293-L318 HydrophobicContact CG2-CD1 3.81Å
294	G	98.6	Very high	98.9	Very high	15 Å²	15	20.9 Å²	20.9	16%	0.155	11%	0.114	C	C	.	.			trans	74.4	169.3	-177.5	0	0	0	0	0	113.1	V314	G294-V314 PolarHBondContact N-O 3.44Å
295	D	98.5	Very high	98.9	Very high	127 Å²	127	21 Å²	21	68%	0.679	12%	0.115	S	C	*	.	S	Bend	trans	-137.8	2.7	-174.7	56.5	-6	0	0	0	113.7
296	E	98.7	Very high	98.9	Very high	105 Å²	105	24.7 Å²	24.7	49%	0.491	13%	0.131	S	C	.	.	S	Bend	trans	-81.1	-45.8	-175.7	-62.4	-179.7	-176.7	0	0	113.8	T153	T153-E296 VanDerWaalsContact CA-O 3.28Å; T153-E296 WeakPolarHBondContact CA-O 3.48Å; T153-E296 WeakPolarHBondContact CB-O 3.49Å; T153-E296 HydrophobicContact CG2-CB 4.02Å; T153-E296 WeakPolarHBondContact CG2-O 3.02Å
297	W	98.8	Very high	98.9	Very high	15 Å²	15	27 Å²	27	6%	0.057	15%	0.146	C	C	.	.			trans	-90.5	120.7	-169.1	-76.3	88.2	0	0	0	112.2	Y134 P135 T153 R272 A275 A276 Y302	Y134-W297 AromaticContact CD2-CH2 3.7Å; Y134-W297 HydrophobicContact CD2-CH2 3.7Å; Y134-W297 HydrophobicContact CD2-CZ2 4.35Å; Y134-W297 HydrophobicContact CE1-CH2 4.36Å; Y134-W297 AromaticContact CE2-CH2 3.22Å; Y134-W297 HydrophobicContact CE2-CH2 3.22Å; Y134-W297 AromaticContact CE2-CZ2 3.5Å; Y134-W297 HydrophobicContact CE2-CZ2 3.5Å; Y134-W297 VanDerWaalsContact CE2-CZ2 3.5Å; Y134-W297 HydrophobicContact CE2-CZ3 4.38Å; Y134-W297 HydrophobicContact CG-CH2 4.45Å; Y134-W297 AromaticContact CZ-CH2 3.59Å; Y134-W297 AromaticContact CZ-CZ2 3.84Å; P135-W297 HydrophobicContact CG-CH2 4.13Å; P135-W297 HydrophobicContact CG-CZ3 4.07Å; T153-W297 HydrophobicContact CG2-CD2 3.72Å; T153-W297 HydrophobicContact CG2-CE3 4.05Å; T153-W297 HydrophobicContact CG2-CG 4.08Å; T153-W297 HydrophobicContact CG2-CH2 4.38Å; T153-W297 HydrophobicContact CG2-CZ2 4.05Å; T153-W297 HydrophobicContact CG2-CZ3 4.37Å; R272-W297 HydrophobicContact CB-CB 4.25Å; R272-W297 HydrophobicContact CB-CG 4.17Å; A275-W297 HydrophobicContact CB-CD2 4.3Å; A275-W297 HydrophobicContact CB-CE3 3.45Å; A275-W297 VanDerWaalsContact CB-CE3 3.45Å; A275-W297 HydrophobicContact CB-CH2 4.16Å; A275-W297 HydrophobicContact CB-CZ3 3.37Å; A276-W297 HydrophobicContact CB-CB 4.32Å; W297-Y302 WeakPolarHBondContact O-CD2 3.47Å; W297-Y302 VanDerWaalsContact O-CE2 3.31Å; W297-Y302 WeakPolarHBondContact O-CE2 3.49Å
298	L	98.9	Very high	98.9	Very high	43 Å²	43	27.3 Å²	27.3	23%	0.225	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	150	-171.4	-53	177.3	0	0	0	112	S151 K152 M160 Y302	S151-L298 WeakPolarHBondContact CA-O 3.31Å; S151-L298 WeakPolarHBondContact CB-O 3.47Å; S151-L298 PolarHBondContact OG-O 2.65Å; K152-L298 PolarHBondContact N-O 3.38Å; K152-L298 PolarHBondContact O-N 2.76Å; M160-L298 HydrophobicContact CE-CB 4.47Å; M160-L298 HydrophobicContact SD-CB 3.93Å; L298-Y302 HydrophobicContact CD2-CD2 4.13Å; L298-Y302 HydrophobicContact CD2-CG 4.49Å
299	E	98.9	Very high	98.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	166.8	148.8	-57.1	179	-117.8	0	0	107.6	F150 A276 F301 Y302	F150-E299 HydrophobicContact CD2-CG 4.15Å; F150-E299 HydrophobicContact CE2-CG 4.17Å; A276-E299 HydrophobicContact CB-CG 3.69Å; E299-F301 HydrophobicContact CB-CD1 4.03Å; E299-F301 HydrophobicContact CB-CE1 3.73Å; E299-F301 HydrophobicContact CG-CE1 4.35Å; E299-F301 PolarHBondContact O-N 3.45Å; E299-Y302 HydrophobicContact CB-CD1 3.66Å; E299-Y302 HydrophobicContact CB-CE1 3.53Å; E299-Y302 HydrophobicContact CG-CD1 4.25Å; E299-Y302 HydrophobicContact CG-CE1 3.61Å; E299-Y302 WeakPolarHBondContact O-CB 3.41Å; E299-Y302 PolarHBondContact O-N 3.13Å; E299-Y302 PolarHBondContact OE1-OH 2.91Å
300	F	98.9	Very high	98.9	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-30.9	-171.2	85.5	-83.5	0	0	0	115.1	Y57 V60 M160 P162 F166 P303 L350 I355 Y358	Y57-F300 HydrophobicContact CD1-CD2 4.46Å; Y57-F300 HydrophobicContact CD1-CE2 4.33Å; Y57-F300 AromaticContact CD2-CE2 3.99Å; Y57-F300 HydrophobicContact CD2-CE2 3.99Å; Y57-F300 HydrophobicContact CE2-CE2 4.32Å; Y57-F300 HydrophobicContact CG-CD2 4.26Å; Y57-F300 AromaticContact CG-CE2 3.99Å; Y57-F300 HydrophobicContact CG-CE2 3.99Å; V60-F300 WeakPolarHBondContact CG2-O 3.27Å; M160-F300 HydrophobicContact CB-CB 4.09Å; P162-F300 HydrophobicContact CB-CD1 4.04Å; P162-F300 HydrophobicContact CB-CE1 3.69Å; P162-F300 HydrophobicContact CB-CZ 4.32Å; P162-F300 HydrophobicContact CG-CD1 4.01Å; P162-F300 HydrophobicContact CG-CE1 3.83Å; P162-F300 HydrophobicContact CG-CG 4.45Å; P162-F300 HydrophobicContact CG-CZ 4.12Å; F166-F300 AromaticContact CE2-CE1 3.94Å; F166-F300 HydrophobicContact CE2-CE1 3.94Å; F166-F300 HydrophobicContact CZ-CE1 4.17Å; F300-P303 WeakPolarHBondContact O-CD 3.13Å; F300-L350 HydrophobicContact CE1-CD1 4.31Å; F300-L350 HydrophobicContact CZ-CD1 3.77Å; F300-I355 HydrophobicContact CE1-CD1 4.09Å; F300-I355 HydrophobicContact CZ-CD1 3.79Å; F300-Y358 HydrophobicContact CB-CE1 4Å; F300-Y358 AromaticContact CD2-CD1 3.91Å; F300-Y358 HydrophobicContact CD2-CD1 3.91Å; F300-Y358 AromaticContact CD2-CD2 3.58Å; F300-Y358 HydrophobicContact CD2-CD2 3.58Å; F300-Y358 AromaticContact CD2-CE1 3.81Å; F300-Y358 HydrophobicContact CD2-CE1 3.81Å; F300-Y358 AromaticContact CD2-CE2 3.52Å; F300-Y358 HydrophobicContact CD2-CE2 3.52Å; F300-Y358 AromaticContact CD2-CG 3.76Å; F300-Y358 HydrophobicContact CD2-CG 3.76Å; F300-Y358 AromaticContact CD2-CZ 3.62Å; F300-Y358 HydrophobicContact CE2-CD1 4.23Å; F300-Y358 AromaticContact CE2-CD2 3.74Å; F300-Y358 HydrophobicContact CE2-CD2 3.74Å; F300-Y358 HydrophobicContact CE2-CE2 4.16Å; F300-Y358 AromaticContact CE2-CG 3.76Å; F300-Y358 HydrophobicContact CE2-CG 3.76Å; F300-Y358 HydrophobicContact CG-CD1 4.31Å; F300-Y358 HydrophobicContact CG-CE1 4Å; F300-Y358 HydrophobicContact CG-CE2 4.4Å
301	F	98.9	Very high	98.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-12.9	-177.5	66.8	-88.6	0	0	0	113.9	Y57 F166 F280 K281 E299 P303 Q304 L305 I346 L350	Y57-F301 HydrophobicContact CD1-CB 4.26Å; Y57-F301 HydrophobicContact CE1-CB 3.65Å; F166-F301 HydrophobicContact CZ-CE1 4.35Å; F280-F301 HydrophobicContact CD1-CE2 4.2Å; K281-F301 HydrophobicContact CB-CE2 4.28Å; K281-F301 HydrophobicContact CB-CZ 3.9Å; E299-F301 HydrophobicContact CB-CD1 4.03Å; E299-F301 HydrophobicContact CB-CE1 3.73Å; E299-F301 HydrophobicContact CG-CE1 4.35Å; E299-F301 PolarHBondContact O-N 3.45Å; F301-P303 VanDerWaalsContact C-CD 3.48Å; F301-Q304 PolarHBondContact O-N 2.99Å; F301-L305 HydrophobicContact CD2-CD1 3.73Å; F301-L305 HydrophobicContact CE2-CD1 3.69Å; F301-I346 HydrophobicContact CD2-CD1 4.49Å; F301-I346 HydrophobicContact CE2-CD1 4.42Å; F301-L350 HydrophobicContact CB-CD1 3.76Å; F301-L350 HydrophobicContact CD1-CD1 4.04Å; F301-L350 HydrophobicContact CD1-CD2 4.15Å; F301-L350 HydrophobicContact CD2-CD1 4.47Å; F301-L350 HydrophobicContact CD2-CD2 3.95Å; F301-L350 HydrophobicContact CE1-CD2 4.21Å; F301-L350 HydrophobicContact CE2-CD2 4Å; F301-L350 HydrophobicContact CG-CD1 3.84Å; F301-L350 HydrophobicContact CG-CD2 4.02Å; F301-L350 HydrophobicContact CZ-CD2 4.13Å
302	Y	98.9	Very high	98.9	Very high	11 Å²	11	28.8 Å²	28.8	4%	0.043	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-59.3	-40.7	-174.9	-79.8	39.1	0	0	0	113.2	A276 S277 F280 H292 W297 L298 E299 Q304 L305	A276-Y302 HydrophobicContact CB-CE2 4.27Å; S277-Y302 PolarHBondContact O-OH 2.81Å; F280-Y302 WeakPolarHBondContact CB-OH 3.3Å; F280-Y302 HydrophobicContact CD1-CD1 4.03Å; F280-Y302 HydrophobicContact CD1-CD2 4.29Å; F280-Y302 AromaticContact CD1-CE1 3.49Å; F280-Y302 HydrophobicContact CD1-CE1 3.49Å; F280-Y302 VanDerWaalsContact CD1-CE1 3.49Å; F280-Y302 AromaticContact CD1-CE2 3.78Å; F280-Y302 HydrophobicContact CD1-CE2 3.78Å; F280-Y302 HydrophobicContact CD1-CG 4.41Å; F280-Y302 AromaticContact CD1-CZ 3.32Å; F280-Y302 WeakPolarHBondContact CD1-OH 3.23Å; F280-Y302 HydrophobicContact CE1-CD1 4.26Å; F280-Y302 HydrophobicContact CE1-CD2 4.16Å; F280-Y302 HydrophobicContact CE1-CE1 4.15Å; F280-Y302 HydrophobicContact CE1-CE2 4.03Å; F280-Y302 HydrophobicContact CE1-CG 4.27Å; F280-Y302 HydrophobicContact CG-CE1 4.47Å; H292-Y302 AromaticContact NE2-CE2 3.86Å; W297-Y302 WeakPolarHBondContact O-CD2 3.47Å; W297-Y302 VanDerWaalsContact O-CE2 3.31Å; W297-Y302 WeakPolarHBondContact O-CE2 3.49Å; L298-Y302 HydrophobicContact CD2-CD2 4.13Å; L298-Y302 HydrophobicContact CD2-CG 4.49Å; E299-Y302 HydrophobicContact CB-CD1 3.66Å; E299-Y302 HydrophobicContact CB-CE1 3.53Å; E299-Y302 HydrophobicContact CG-CD1 4.25Å; E299-Y302 HydrophobicContact CG-CE1 3.61Å; E299-Y302 WeakPolarHBondContact O-CB 3.41Å; E299-Y302 PolarHBondContact O-N 3.13Å; E299-Y302 PolarHBondContact OE1-OH 2.91Å; Y302-Q304 PolarHBondContact O-N 2.89Å; Y302-L305 PolarHBondContact O-N 2.71Å
303	P	98.8	Very high	98.9	Very high	44 Å²	44	29.7 Å²	29.7	29%	0.286	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-58.2	-23.2	-179.9	-29	38.7	0	0	0	114.5	V60 F300 F301 K306	V60-P303 HydrophobicContact CG2-CB 4.01Å; V60-P303 HydrophobicContact CG2-CG 3.81Å; F300-P303 WeakPolarHBondContact O-CD 3.13Å; F301-P303 VanDerWaalsContact C-CD 3.48Å; P303-K306 VanDerWaalsContact O-CE 3.27Å; P303-K306 WeakPolarHBondContact O-CE 3.42Å; P303-K306 PolarHBondContact O-NZ 2.95Å
304	Q	98.8	Very high	98.9	Very high	41 Å²	41	29.9 Å²	29.9	19%	0.192	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-85.1	-19.9	175.8	-70.5	-61.6	-36.1	0	0	113.6	C56 Y57 F301 Y302 K306 F345	C56-Q304 VanDerWaalsContact O-CG 3.23Å; C56-Q304 WeakPolarHBondContact O-CG 3.4Å; C56-Q304 PolarHBondContact O-NE2 3.05Å; Y57-Q304 HydrophobicContact CD1-CB 4.27Å; Y57-Q304 HydrophobicContact CD1-CG 3.65Å; Y57-Q304 HydrophobicContact CE1-CB 3.87Å; Y57-Q304 HydrophobicContact CE1-CG 3.73Å; F301-Q304 PolarHBondContact O-N 2.99Å; Y302-Q304 PolarHBondContact O-N 2.89Å; Q304-K306 PolarHBondContact O-N 2.93Å; Q304-K306 VanDerWaalsContact O-N 3.13Å; Q304-F345 HydrophobicContact CB-CE1 4.19Å; Q304-F345 HydrophobicContact CB-CE2 4.03Å; Q304-F345 HydrophobicContact CB-CZ 3.4Å; Q304-F345 HydrophobicContact CG-CZ 4.38Å
305	L	98.9	Very high	98.9	Very high	4 Å²	4	35 Å²	35	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	-79.5	97.7	171.4	-70.3	168.1	0	0	0	109.5	F280 F284 F301 Y302 H310 Y311 F345 I346	F280-L305 HydrophobicContact CD1-CD1 4.1Å; F280-L305 HydrophobicContact CE1-CD1 3.43Å; F280-L305 VanDerWaalsContact CE1-CD1 3.43Å; F280-L305 HydrophobicContact CZ-CD1 3.98Å; F284-L305 HydrophobicContact CE2-CD1 3.95Å; F284-L305 HydrophobicContact CE2-CD2 4.5Å; F284-L305 HydrophobicContact CZ-CD1 4.15Å; F284-L305 HydrophobicContact CZ-CD2 4.21Å; F301-L305 HydrophobicContact CD2-CD1 3.73Å; F301-L305 HydrophobicContact CE2-CD1 3.69Å; Y302-L305 PolarHBondContact O-N 2.71Å; L305-H310 HydrophobicContact CD2-CB 4.05Å; L305-Y311 HydrophobicContact CB-CD1 4.31Å; L305-Y311 HydrophobicContact CB-CE1 3.86Å; L305-Y311 WeakPolarHBondContact O-CE1 3.38Å; L305-Y311 PolarHBondContact O-OH 3.06Å; L305-F345 HydrophobicContact CD2-CD1 3.45Å; L305-F345 VanDerWaalsContact CD2-CD1 3.45Å; L305-F345 HydrophobicContact CD2-CE1 3.97Å; L305-F345 HydrophobicContact CD2-CG 4.13Å; L305-F345 HydrophobicContact CG-CD1 4.13Å; L305-F345 HydrophobicContact CG-CE1 4.14Å; L305-I346 HydrophobicContact CD1-CD1 4.2Å; L305-I346 HydrophobicContact CD2-CD1 4.19Å
306	K	98.9	Very high	98.9	Very high	78 Å²	78	31.3 Å²	31.3	34%	0.339	16%	0.156	S	C	.	.			trans	-81.7	134.6	-179.8	-50.2	-53.5	-175.7	176.3	0	113.2	Y46 P303 Q304 V309 H310	Y46-K306 HydrophobicContact CD2-CB 4.43Å; Y46-K306 HydrophobicContact CD2-CG 3.8Å; Y46-K306 HydrophobicContact CE2-CG 3.95Å; P303-K306 VanDerWaalsContact O-CE 3.27Å; P303-K306 WeakPolarHBondContact O-CE 3.42Å; P303-K306 PolarHBondContact O-NZ 2.95Å; Q304-K306 PolarHBondContact O-N 2.93Å; Q304-K306 VanDerWaalsContact O-N 3.13Å; K306-V309 HydrophobicContact CB-CB 3.99Å; K306-V309 HydrophobicContact CB-CG2 3.85Å; K306-V309 PolarHBondContact O-N 3Å; K306-H310 PolarHBondContact N-ND1 2.75Å; K306-H310 PolarHBondContact O-N 3.01Å; K306-H310 PolarHBondContact O-ND1 3.18Å
307	P	98.9	Very high	98.8	Very high	49 Å²	49	31.1 Å²	31.1	32%	0.318	16%	0.158	S	C	.	.	B	Isolated β-bridge	trans	-61.7	146.5	173.7	27	-34.3	0	0	0	110.8	V309 Y311 P313	P307-V309 PolarHBondContact O-N 2.85Å; P307-Y311 HydrophobicContact CB-CE2 3.92Å; P307-P313 HydrophobicContact CB-CB 3.92Å; P307-P313 HydrophobicContact CB-CG 3.76Å
308	W	98.9	Very high	98.8	Very high	25 Å²	25	30.8 Å²	30.8	10%	0.095	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	-20.1	-175.7	-51.6	108.7	0	0	0	116	F35 Q38 I39 Y311 I312 P313 L324 F327	F35-W308 AromaticContact CD1-CH2 3.54Å; F35-W308 HydrophobicContact CD1-CH2 3.54Å; F35-W308 HydrophobicContact CD1-CZ2 4.1Å; F35-W308 HydrophobicContact CD1-CZ3 4.26Å; F35-W308 HydrophobicContact CE1-CH2 4.01Å; F35-W308 HydrophobicContact CE1-CZ2 4.47Å; F35-W308 HydrophobicContact CG-CH2 4.41Å; Q38-W308 HydrophobicContact CG-CD2 4.28Å; Q38-W308 HydrophobicContact CG-CG 4.1Å; I39-W308 HydrophobicContact CD1-CE3 4.21Å; I39-W308 HydrophobicContact CG1-CB 4Å; I39-W308 HydrophobicContact CG1-CD2 4.27Å; I39-W308 HydrophobicContact CG1-CE3 3.77Å; I39-W308 HydrophobicContact CG1-CG 4.4Å; W308-Y311 WeakPolarHBondContact CA-O 3.27Å; W308-Y311 PolarHBondContact N-O 2.84Å; W308-I312 HydrophobicContact CE3-CD1 3.91Å; W308-I312 HydrophobicContact CH2-CG2 4.34Å; W308-I312 HydrophobicContact CZ3-CD1 3.74Å; W308-I312 HydrophobicContact CZ3-CG2 4.17Å; W308-P313 HydrophobicContact CD2-CG 3.99Å; W308-P313 HydrophobicContact CG-CG 4.37Å; W308-P313 HydrophobicContact CH2-CG 4.37Å; W308-P313 HydrophobicContact CZ2-CG 3.57Å; W308-P313 VanDerWaalsContact NE1-CG 3.35Å; W308-L324 HydrophobicContact CH2-CD2 3.59Å; W308-L324 HydrophobicContact CZ3-CD2 4.34Å; W308-F327 HydrophobicContact CZ3-CE1 4.41Å
309	V	98.9	Very high	98.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-53.1	169.6	-176.6	0	0	0	0	109.9	L43 Y46 K306 P307 R341	L43-V309 HydrophobicContact CD2-CG1 4.21Å; L43-V309 HydrophobicContact CD2-CG2 4.32Å; Y46-V309 HydrophobicContact CD1-CG1 3.7Å; Y46-V309 HydrophobicContact CD2-CG1 4.08Å; Y46-V309 HydrophobicContact CD2-CG2 4.24Å; Y46-V309 HydrophobicContact CE1-CG1 3.87Å; Y46-V309 HydrophobicContact CE2-CG1 4.25Å; Y46-V309 HydrophobicContact CG-CG1 3.81Å; Y46-V309 HydrophobicContact CG-CG2 4.03Å; K306-V309 HydrophobicContact CB-CB 3.99Å; K306-V309 HydrophobicContact CB-CG2 3.85Å; K306-V309 PolarHBondContact O-N 3Å; P307-V309 PolarHBondContact O-N 2.85Å; V309-R341 WeakPolarHBondContact O-CB 3.4Å; V309-R341 PolarHBondContact O-NE 3.21Å
310	H	98.9	Very high	98.8	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.019	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-24	-171.3	-55.3	102.4	0	0	0	114.1	Y46 F284 L305 K306 F345	Y46-H310 AromaticContact CE2-CE1 3.53Å; Y46-H310 AromaticContact CZ-CE1 3.56Å; Y46-H310 AromaticContact CZ-NE2 3.65Å; Y46-H310 PolarHBondContact OH-CE1 3.39Å; Y46-H310 PolarHBondContact OH-NE2 2.94Å; F284-H310 WeakPolarHBondContact CE1-O 3.4Å; L305-H310 HydrophobicContact CD2-CB 4.05Å; K306-H310 PolarHBondContact N-ND1 2.75Å; K306-H310 PolarHBondContact O-N 3.01Å; K306-H310 PolarHBondContact O-ND1 3.18Å; H310-F345 AromaticContact NE2-CD2 3.77Å; H310-F345 AromaticContact NE2-CG 3.94Å
311	Y	98.9	Very high	98.8	Very high	25 Å²	25	33.7 Å²	33.7	10%	0.098	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-154.1	167.9	-177.9	61.6	-97.3	0	0	0	111.7	F280 F284 V290 H292 L305 P307 W308 P313	F280-Y311 HydrophobicContact CZ-CD1 4.1Å; F280-Y311 HydrophobicContact CZ-CE1 4.17Å; F284-Y311 HydrophobicContact CE1-CD1 4.49Å; F284-Y311 HydrophobicContact CZ-CD1 4.16Å; V290-Y311 WeakPolarHBondContact O-CB 3.25Å; H292-Y311 HydrophobicContact CB-CD2 3.56Å; H292-Y311 HydrophobicContact CB-CE2 3.71Å; H292-Y311 HydrophobicContact CB-CG 4.21Å; L305-Y311 HydrophobicContact CB-CD1 4.31Å; L305-Y311 HydrophobicContact CB-CE1 3.86Å; L305-Y311 WeakPolarHBondContact O-CE1 3.38Å; L305-Y311 PolarHBondContact O-OH 3.06Å; P307-Y311 HydrophobicContact CB-CE2 3.92Å; W308-Y311 WeakPolarHBondContact CA-O 3.27Å; W308-Y311 PolarHBondContact N-O 2.84Å; Y311-P313 HydrophobicContact CE2-CB 4.2Å; Y311-P313 WeakPolarHBondContact O-CD 3.41Å
312	I	98.9	Very high	98.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	116.1	171.8	-56.9	-60.1	0	0	0	109.6	L289 V290 F291 H292 W308 L324 V328 I338	L289-I312 HydrophobicContact CD1-CD1 4.48Å; L289-I312 HydrophobicContact CD1-CG1 3.99Å; L289-I312 HydrophobicContact CD2-CD1 4.22Å; L289-I312 HydrophobicContact CD2-CG1 3.72Å; L289-I312 HydrophobicContact CG-CG1 3.93Å; V290-I312 PolarHBondContact O-N 2.82Å; F291-I312 WeakPolarHBondContact CA-O 3.36Å; F291-I312 HydrophobicContact CD1-CB 4.02Å; F291-I312 HydrophobicContact CD1-CG2 3.87Å; F291-I312 HydrophobicContact CD2-CB 4.31Å; F291-I312 HydrophobicContact CD2-CG1 4.41Å; F291-I312 HydrophobicContact CE1-CB 4.04Å; F291-I312 HydrophobicContact CE1-CG1 4.34Å; F291-I312 HydrophobicContact CE1-CG2 3.69Å; F291-I312 HydrophobicContact CE2-CB 4.3Å; F291-I312 HydrophobicContact CE2-CG1 4.02Å; F291-I312 HydrophobicContact CG-CB 4.15Å; F291-I312 HydrophobicContact CZ-CB 4.17Å; F291-I312 HydrophobicContact CZ-CG1 3.98Å; F291-I312 HydrophobicContact CZ-CG2 4.17Å; H292-I312 PolarHBondContact N-O 3.3Å; W308-I312 HydrophobicContact CE3-CD1 3.91Å; W308-I312 HydrophobicContact CH2-CG2 4.34Å; W308-I312 HydrophobicContact CZ3-CD1 3.74Å; W308-I312 HydrophobicContact CZ3-CG2 4.17Å; I312-L324 HydrophobicContact CG2-CB 4.31Å; I312-L324 HydrophobicContact CG2-CD1 3.94Å; I312-L324 HydrophobicContact CG2-CD2 4.02Å; I312-L324 HydrophobicContact CG2-CG 4.33Å; I312-V328 HydrophobicContact CD1-CG1 4.07Å; I312-V328 HydrophobicContact CG1-CG1 4.11Å; I312-I338 HydrophobicContact CD1-CD1 3.79Å
313	P	98.9	Very high	98.8	Very high	32 Å²	32	42.2 Å²	42.2	21%	0.208	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	133.1	172.7	32.2	-35.6	0	0	0	110.2	P307 W308 Y311 L324	P307-P313 HydrophobicContact CB-CB 3.92Å; P307-P313 HydrophobicContact CB-CG 3.76Å; W308-P313 HydrophobicContact CD2-CG 3.99Å; W308-P313 HydrophobicContact CG-CG 4.37Å; W308-P313 HydrophobicContact CH2-CG 4.37Å; W308-P313 HydrophobicContact CZ2-CG 3.57Å; W308-P313 VanDerWaalsContact NE1-CG 3.35Å; Y311-P313 HydrophobicContact CE2-CB 4.2Å; Y311-P313 WeakPolarHBondContact O-CD 3.41Å; P313-L324 WeakPolarHBondContact O-CD1 3.4Å
314	V	98.9	Very high	98.8	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.036	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.9	176.6	-174.4	0	0	0	0	108.1	F269 F291 H292 V293 G294 L318 V321 L324	F269-V314 HydrophobicContact CE1-CG2 4.31Å; F291-V314 HydrophobicContact CB-CG2 4Å; F291-V314 HydrophobicContact CD1-CG2 3.65Å; F291-V314 HydrophobicContact CG-CG2 4.3Å; H292-V314 PolarHBondContact O-N 2.65Å; V293-V314 WeakPolarHBondContact CA-O 3.32Å; V293-V314 HydrophobicContact CB-CB 4.4Å; V293-V314 HydrophobicContact CG2-CB 3.73Å; V293-V314 HydrophobicContact CG2-CG1 3.94Å; V293-V314 HydrophobicContact CG2-CG2 4.25Å; G294-V314 PolarHBondContact N-O 3.44Å; V314-L318 HydrophobicContact CG1-CD1 4.31Å; V314-L318 HydrophobicContact CG1-CG 4.17Å; V314-V321 HydrophobicContact CG1-CB 4.19Å; V314-V321 HydrophobicContact CG1-CG2 4.3Å; V314-L324 HydrophobicContact CB-CD1 4.35Å; V314-L324 HydrophobicContact CG1-CD1 4.4Å; V314-L324 HydrophobicContact CG2-CD1 3.92Å
315	K	98.8	Very high	98.8	Very high	123 Å²	123	38.2 Å²	38.2	54%	0.535	20%	0.197	S	C	.	.			trans	-58.1	145.5	175.9	-71.4	178.5	174	-175.3	0	110.2	D317 L318 S319 N320	K315-D317 WeakPolarHBondContact CB-OD1 3.47Å; K315-D317 PolarHBondContact O-N 2.93Å; K315-D317 VanDerWaalsContact O-N 3.12Å; K315-L318 PolarHBondContact O-N 3.37Å; K315-S319 VanDerWaalsContact CD-OG 3.27Å; K315-S319 WeakPolarHBondContact CD-OG 3.21Å; K315-N320 HydrophobicContact CD-CB 4.4Å; K315-N320 PolarHBondContact N-OD1 2.87Å
316	T	98.5	Very high	98.7	Very high	50 Å²	50	42.5 Å²	42.5	31%	0.307	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-35.3	-178.4	-50.2	0	0	0	0	113	E217 L318	E217-T316 HydrophobicContact CG-CG2 4.17Å; T316-L318 VanDerWaalsContact C-N 3.34Å
317	D	98.4	Very high	98.7	Very high	100 Å²	100	38.9 Å²	38.9	54%	0.535	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.3	179.7	71	-8.4	0	0	0	114.7	K315 S319	K315-D317 WeakPolarHBondContact CB-OD1 3.47Å; K315-D317 PolarHBondContact O-N 2.93Å; K315-D317 VanDerWaalsContact O-N 3.12Å; D317-S319 VanDerWaalsContact CG-OG 3.3Å; D317-S319 PolarHBondContact O-N 2.97Å; D317-S319 WeakPolarHBondContact OD1-CB 3.43Å; D317-S319 PolarHBondContact OD1-N 2.91Å; D317-S319 PolarHBondContact OD1-OG 3.36Å; D317-S319 WeakPolarHBondContact OD2-CB 3.42Å; D317-S319 PolarHBondContact OD2-OG 3.12Å
318	L	98.6	Very high	98.7	Very high	9 Å²	9	36.5 Å²	36.5	5%	0.047	19%	0.186	C	C	.	.			trans	61.7	13.3	-174.9	-89.6	65.8	0	0	0	115.3	P220 L221 F271 V293 V314 K315 T316 N320 V321	P220-L318 HydrophobicContact CB-CB 4.04Å; P220-L318 HydrophobicContact CB-CD2 4.04Å; L221-L318 HydrophobicContact CB-CD2 3.57Å; L221-L318 HydrophobicContact CD1-CD2 4.01Å; L221-L318 HydrophobicContact CG-CD2 4.36Å; F271-L318 HydrophobicContact CE1-CD1 3.7Å; F271-L318 HydrophobicContact CE1-CD2 4.22Å; F271-L318 HydrophobicContact CZ-CD1 4.24Å; F271-L318 HydrophobicContact CZ-CD2 4.05Å; V293-L318 HydrophobicContact CB-CD1 4.25Å; V293-L318 HydrophobicContact CG1-CD1 3.39Å; V293-L318 HydrophobicContact CG2-CD1 3.81Å; V314-L318 HydrophobicContact CG1-CD1 4.31Å; V314-L318 HydrophobicContact CG1-CG 4.17Å; K315-L318 PolarHBondContact O-N 3.37Å; T316-L318 VanDerWaalsContact C-N 3.34Å; L318-N320 PolarHBondContact O-N 3.02Å; L318-N320 VanDerWaalsContact O-N 3.08Å; L318-V321 HydrophobicContact CB-CB 4.27Å; L318-V321 HydrophobicContact CB-CG1 4.17Å; L318-V321 HydrophobicContact CG-CB 4.25Å; L318-V321 HydrophobicContact CG-CG1 4.45Å; L318-V321 WeakPolarHBondContact O-CB 3.39Å; L318-V321 WeakPolarHBondContact O-CG1 3.3Å; L318-V321 PolarHBondContact O-N 3.3Å
319	S	98.6	Very high	98.7	Very high	75 Å²	75	39.2 Å²	39.2	52%	0.524	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-31.2	-175.4	53.4	0	0	0	0	113.9	K315 D317	K315-S319 VanDerWaalsContact CD-OG 3.27Å; K315-S319 WeakPolarHBondContact CD-OG 3.21Å; D317-S319 VanDerWaalsContact CG-OG 3.3Å; D317-S319 PolarHBondContact O-N 2.97Å; D317-S319 WeakPolarHBondContact OD1-CB 3.43Å; D317-S319 PolarHBondContact OD1-N 2.91Å; D317-S319 PolarHBondContact OD1-OG 3.36Å; D317-S319 WeakPolarHBondContact OD2-CB 3.42Å; D317-S319 PolarHBondContact OD2-OG 3.12Å
320	N	98.3	Very high	98.7	Very high	24 Å²	24	42 Å²	42	13%	0.128	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	3	179.7	67.3	-18.2	0	0	0	114.7	K315 L318 Q322 E323 L324	K315-N320 HydrophobicContact CD-CB 4.4Å; K315-N320 PolarHBondContact N-OD1 2.87Å; L318-N320 PolarHBondContact O-N 3.02Å; L318-N320 VanDerWaalsContact O-N 3.08Å; N320-Q322 PolarHBondContact O-N 3.23Å; N320-E323 PolarHBondContact O-N 3.43Å; N320-L324 WeakPolarHBondContact O-CG 3.44Å; N320-L324 PolarHBondContact O-N 3.03Å
321	V	98.7	Very high	98.7	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-39	-168.6	73.3	0	0	0	0	113.9	L221 L224 F269 V314 L318 L324 L325	L221-V321 HydrophobicContact CD1-CG2 4.46Å; L224-V321 HydrophobicContact CD2-CG1 3.67Å; F269-V321 HydrophobicContact CE1-CG2 3.53Å; F269-V321 HydrophobicContact CZ-CG2 3.48Å; F269-V321 VanDerWaalsContact CZ-CG2 3.48Å; V314-V321 HydrophobicContact CG1-CB 4.19Å; V314-V321 HydrophobicContact CG1-CG2 4.3Å; L318-V321 HydrophobicContact CB-CB 4.27Å; L318-V321 HydrophobicContact CB-CG1 4.17Å; L318-V321 HydrophobicContact CG-CB 4.25Å; L318-V321 HydrophobicContact CG-CG1 4.45Å; L318-V321 WeakPolarHBondContact O-CB 3.39Å; L318-V321 WeakPolarHBondContact O-CG1 3.3Å; L318-V321 PolarHBondContact O-N 3.3Å; V321-L324 PolarHBondContact O-N 3.34Å; V321-L325 HydrophobicContact CG2-CD1 4.31Å; V321-L325 WeakPolarHBondContact O-CB 3.46Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 2.65Å
322	Q	98.7	Very high	98.7	Very high	93 Å²	93	44.5 Å²	44.5	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-70.2	-37.8	-179.2	-68.8	-174.7	65.3	0	0	111.6	L224 L231 N320 L325 Q326	L224-Q322 HydrophobicContact CD1-CG 4.11Å; L224-Q322 HydrophobicContact CD2-CG 3.94Å; L231-Q322 HydrophobicContact CD2-CG 4.13Å; N320-Q322 PolarHBondContact O-N 3.23Å; Q322-L325 PolarHBondContact O-N 2.87Å; Q322-Q326 WeakPolarHBondContact O-CG 3.29Å; Q322-Q326 PolarHBondContact O-N 3.42Å
323	E	98.6	Very high	98.6	Very high	97 Å²	97	50.1 Å²	50.1	45%	0.453	27%	0.267	S	S	.	.	H	α-helix	trans	-65	-45.5	175.9	-174.7	-177.9	-151.4	0	0	110.6	W32 F35 N320 L325 Q326 F327	W32-E323 HydrophobicContact CZ3-CG 4.11Å; F35-E323 HydrophobicContact CE2-CG 3.86Å; F35-E323 HydrophobicContact CZ-CG 4.09Å; N320-E323 PolarHBondContact O-N 3.43Å; E323-L325 VanDerWaalsContact C-N 3.35Å; E323-L325 PolarHBondContact O-N 2.99Å; E323-Q326 WeakPolarHBondContact O-CB 3.28Å; E323-Q326 PolarHBondContact O-N 3.42Å; E323-Q326 VanDerWaalsContact O-N 3.16Å; E323-F327 WeakPolarHBondContact O-CB 3.4Å; E323-F327 PolarHBondContact O-N 2.87Å
324	L	98.9	Very high	98.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-42.1	175.8	-66.9	173	0	0	0	112.3	F35 F291 W308 I312 P313 V314 N320 V321 Q326 F327 V328	F35-L324 HydrophobicContact CD1-CD2 4.16Å; F35-L324 HydrophobicContact CE1-CD2 3.6Å; F35-L324 HydrophobicContact CE2-CD2 4.5Å; F35-L324 HydrophobicContact CZ-CD2 3.8Å; F291-L324 HydrophobicContact CE1-CB 3.9Å; W308-L324 HydrophobicContact CH2-CD2 3.59Å; W308-L324 HydrophobicContact CZ3-CD2 4.34Å; I312-L324 HydrophobicContact CG2-CB 4.31Å; I312-L324 HydrophobicContact CG2-CD1 3.94Å; I312-L324 HydrophobicContact CG2-CD2 4.02Å; I312-L324 HydrophobicContact CG2-CG 4.33Å; P313-L324 WeakPolarHBondContact O-CD1 3.4Å; V314-L324 HydrophobicContact CB-CD1 4.35Å; V314-L324 HydrophobicContact CG1-CD1 4.4Å; V314-L324 HydrophobicContact CG2-CD1 3.92Å; N320-L324 WeakPolarHBondContact O-CG 3.44Å; N320-L324 PolarHBondContact O-N 3.03Å; V321-L324 PolarHBondContact O-N 3.34Å; L324-Q326 VanDerWaalsContact C-N 3.32Å; L324-Q326 PolarHBondContact O-N 3.13Å; L324-F327 WeakPolarHBondContact O-CB 2.82Å; L324-F327 PolarHBondContact O-N 2.71Å; L324-V328 PolarHBondContact O-N 3.47Å
325	L	98.8	Very high	98.6	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.6	-33.9	176	-75	171.6	0	0	0	112.7	A207 L231 V232 Y267 F269 F291 V321 Q322 E323 K329	A207-L325 HydrophobicContact CB-CD1 4.36Å; A207-L325 HydrophobicContact CB-CD2 3.9Å; L231-L325 HydrophobicContact CD1-CB 4.13Å; L231-L325 HydrophobicContact CD1-CD1 3.97Å; L231-L325 HydrophobicContact CD2-CD1 4.38Å; L231-L325 HydrophobicContact CG-CD1 4Å; V232-L325 HydrophobicContact CG2-CD1 3.95Å; Y267-L325 HydrophobicContact CD2-CD2 4.16Å; Y267-L325 HydrophobicContact CG-CD2 4.31Å; F269-L325 HydrophobicContact CE2-CD2 4.29Å; F269-L325 HydrophobicContact CZ-CD1 4.45Å; F269-L325 HydrophobicContact CZ-CD2 4.43Å; F291-L325 HydrophobicContact CE1-CD2 4.05Å; F291-L325 HydrophobicContact CE1-CG 4.34Å; F291-L325 HydrophobicContact CE2-CD2 4.45Å; F291-L325 HydrophobicContact CZ-CD2 3.91Å; V321-L325 HydrophobicContact CG2-CD1 4.31Å; V321-L325 WeakPolarHBondContact O-CB 3.46Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 2.65Å; Q322-L325 PolarHBondContact O-N 2.87Å; E323-L325 VanDerWaalsContact C-N 3.35Å; E323-L325 PolarHBondContact O-N 2.99Å; L325-K329 WeakPolarHBondContact O-CD 3.36Å; L325-K329 VanDerWaalsContact O-CG 3.23Å; L325-K329 WeakPolarHBondContact O-CG 3.07Å; L325-K329 PolarHBondContact O-N 3.25Å
326	Q	98.5	Very high	98.6	Very high	94 Å²	94	47.6 Å²	47.6	44%	0.439	26%	0.257	S	S	.	.	H	α-helix	trans	-70.3	-41.3	172.4	-71.4	174.8	25.6	0	0	111.5	W32 Q322 E323 L324 K329 A330	W32-Q326 HydrophobicContact CH2-CB 3.63Å; W32-Q326 HydrophobicContact CZ2-CB 4.12Å; Q322-Q326 WeakPolarHBondContact O-CG 3.29Å; Q322-Q326 PolarHBondContact O-N 3.42Å; E323-Q326 WeakPolarHBondContact O-CB 3.28Å; E323-Q326 PolarHBondContact O-N 3.42Å; E323-Q326 VanDerWaalsContact O-N 3.16Å; L324-Q326 VanDerWaalsContact C-N 3.32Å; L324-Q326 PolarHBondContact O-N 3.13Å; Q326-K329 PolarHBondContact O-N 3.47Å; Q326-A330 WeakPolarHBondContact O-CB 3.21Å; Q326-A330 PolarHBondContact O-N 3.48Å
327	F	98.8	Very high	98.7	Very high	2 Å²	2	50 Å²	50	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-56.8	-53.9	177.6	164.3	-108.6	0	0	0	111.4	W32 F35 I36 I39 W308 E323 L324 K329 A330 N331	W32-F327 HydrophobicContact CB-CD2 3.84Å; W32-F327 HydrophobicContact CB-CE2 4.06Å; W32-F327 HydrophobicContact CD2-CB 4.28Å; W32-F327 AromaticContact CD2-CD2 3.92Å; W32-F327 HydrophobicContact CD2-CD2 3.92Å; W32-F327 HydrophobicContact CE3-CB 3.79Å; W32-F327 AromaticContact CE3-CD2 3.94Å; W32-F327 HydrophobicContact CE3-CD2 3.94Å; W32-F327 HydrophobicContact CE3-CG 4.34Å; W32-F327 AromaticContact CG-CD2 3.9Å; W32-F327 HydrophobicContact CG-CD2 3.9Å; W32-F327 HydrophobicContact CH2-CB 4.29Å; W32-F327 HydrophobicContact CZ3-CB 3.8Å; F35-F327 HydrophobicContact CB-CD1 4.21Å; F35-F327 HydrophobicContact CB-CD2 3.86Å; F35-F327 HydrophobicContact CB-CE1 4.01Å; F35-F327 HydrophobicContact CB-CE2 3.64Å; F35-F327 HydrophobicContact CB-CG 4.15Å; F35-F327 HydrophobicContact CB-CZ 3.73Å; F35-F327 HydrophobicContact CD2-CB 3.93Å; F35-F327 HydrophobicContact CD2-CD1 4.3Å; F35-F327 AromaticContact CD2-CD2 3.8Å; F35-F327 HydrophobicContact CD2-CD2 3.8Å; F35-F327 HydrophobicContact CD2-CE2 4.45Å; F35-F327 AromaticContact CD2-CG 3.72Å; F35-F327 HydrophobicContact CD2-CG 3.72Å; F35-F327 HydrophobicContact CE2-CB 4.24Å; F35-F327 HydrophobicContact CE2-CG 4.48Å; F35-F327 HydrophobicContact CG-CD1 4.32Å; F35-F327 HydrophobicContact CG-CD2 4.21Å; F35-F327 HydrophobicContact CG-CE2 4.47Å; F35-F327 HydrophobicContact CG-CG 4.15Å; I36-F327 HydrophobicContact CD1-CE2 3.78Å; I36-F327 HydrophobicContact CD1-CZ 3.97Å; I36-F327 HydrophobicContact CG1-CE2 4.13Å; I39-F327 HydrophobicContact CD1-CE1 3.93Å; I39-F327 HydrophobicContact CD1-CZ 3.58Å; W308-F327 HydrophobicContact CZ3-CE1 4.41Å; E323-F327 WeakPolarHBondContact O-CB 3.4Å; E323-F327 PolarHBondContact O-N 2.87Å; L324-F327 WeakPolarHBondContact O-CB 2.82Å; L324-F327 PolarHBondContact O-N 2.71Å; F327-K329 VanDerWaalsContact C-N 3.26Å; F327-K329 PolarHBondContact O-N 3.26Å; F327-A330 PolarHBondContact O-N 2.94Å; F327-A330 VanDerWaalsContact O-N 3.12Å; F327-N331 WeakPolarHBondContact CD2-ND2 3.41Å; F327-N331 HydrophobicContact CE2-CB 4.1Å; F327-N331 WeakPolarHBondContact CE2-ND2 3.45Å; F327-N331 HydrophobicContact CZ-CB 4.42Å; F327-N331 PolarHBondContact O-N 2.72Å; F327-N331 PolarHBondContact O-ND2 2.82Å
328	V	98.8	Very high	98.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68.1	-25.8	-177.5	-59.6	0	0	0	0	113.1	Y267 L289 F291 I312 L324 N331 D332 A335	Y267-V328 HydrophobicContact CD1-CG2 3.99Å; Y267-V328 HydrophobicContact CE1-CB 4.21Å; Y267-V328 HydrophobicContact CE1-CG2 3.56Å; Y267-V328 HydrophobicContact CE2-CG2 4.44Å; L289-V328 HydrophobicContact CD2-CB 4.18Å; L289-V328 HydrophobicContact CD2-CG1 3.75Å; F291-V328 HydrophobicContact CE2-CG2 4.36Å; F291-V328 HydrophobicContact CZ-CB 4.48Å; F291-V328 HydrophobicContact CZ-CG1 3.89Å; F291-V328 HydrophobicContact CZ-CG2 3.8Å; I312-V328 HydrophobicContact CD1-CG1 4.07Å; I312-V328 HydrophobicContact CG1-CG1 4.11Å; L324-V328 PolarHBondContact O-N 3.47Å; V328-N331 CarbonylContact O-C 3.49Å; V328-D332 WeakPolarHBondContact O-CA 3.45Å; V328-D332 PolarHBondContact O-N 3.48Å; V328-A335 HydrophobicContact CB-CB 3.89Å; V328-A335 HydrophobicContact CG1-CB 4.33Å
329	K	98.4	Very high	98.7	Very high	82 Å²	82	44.8 Å²	44.8	36%	0.357	24%	0.237	S	C	.	.	H	α-helix	trans	-72.7	-35.7	173.1	-76.1	175.1	-177.3	-176.1	0	112.1	S205 Y267 L325 Q326 F327	S205-K329 VanDerWaalsContact O-CE 3.24Å; S205-K329 WeakPolarHBondContact O-CE 3.28Å; S205-K329 PolarHBondContact O-NZ 2.61Å; Y267-K329 HydrophobicContact CE2-CG 4.19Å; L325-K329 WeakPolarHBondContact O-CD 3.36Å; L325-K329 VanDerWaalsContact O-CG 3.23Å; L325-K329 WeakPolarHBondContact O-CG 3.07Å; L325-K329 PolarHBondContact O-N 3.25Å; Q326-K329 PolarHBondContact O-N 3.47Å; F327-K329 VanDerWaalsContact C-N 3.26Å; F327-K329 PolarHBondContact O-N 3.26Å
330	A	98.4	Very high	98.7	Very high	60 Å²	60	45.6 Å²	45.6	50%	0.496	23%	0.232	S	C	.	.	H	α-helix	trans	-81.2	-17.1	178.6	0	0	0	0	0	113.2	W32 Q326 F327	W32-A330 HydrophobicContact CZ2-CB 4.16Å; W32-A330 VanDerWaalsContact NE1-CB 3.3Å; Q326-A330 WeakPolarHBondContact O-CB 3.21Å; Q326-A330 PolarHBondContact O-N 3.48Å; F327-A330 PolarHBondContact O-N 2.94Å; F327-A330 VanDerWaalsContact O-N 3.12Å
331	N	98.6	Very high	98.8	Very high	38 Å²	38	47.3 Å²	47.3	20%	0.203	24%	0.237	C	C	.	.	S	Bend	trans	-129.6	57	-177.9	-55.7	-90.7	0	0	0	109.5	W32 F327 V328 D333 V334 A335	W32-N331 VanDerWaalsContact CD1-ND2 3.3Å; F327-N331 WeakPolarHBondContact CD2-ND2 3.41Å; F327-N331 HydrophobicContact CE2-CB 4.1Å; F327-N331 WeakPolarHBondContact CE2-ND2 3.45Å; F327-N331 HydrophobicContact CZ-CB 4.42Å; F327-N331 PolarHBondContact O-N 2.72Å; F327-N331 PolarHBondContact O-ND2 2.82Å; V328-N331 CarbonylContact O-C 3.49Å; N331-D333 VanDerWaalsContact C-N 3.32Å; N331-D333 PolarHBondContact O-N 3.11Å; N331-V334 HydrophobicContact CB-CB 4.26Å; N331-V334 HydrophobicContact CB-CG2 4.4Å; N331-V334 PolarHBondContact O-N 2.98Å; N331-A335 PolarHBondContact O-N 2.86Å
332	D	98.8	Very high	98.8	Very high	43 Å²	43	47 Å²	47	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-33.7	-169.7	-163.4	66.9	0	0	0	113.2	W200 K266 V328 A335 Q336	W200-D332 PolarHBondContact NE1-OD1 3.49Å; W200-D332 PolarHBondContact NE1-OD2 2.77Å; K266-D332 IonicContact NZ-OD1 3.64Å; K266-D332 PolarHBondContact NZ-OD1 3.05Å; K266-D332 IonicContact NZ-OD2 2.72Å; K266-D332 PolarHBondContact NZ-OD2 3.27Å; V328-D332 WeakPolarHBondContact O-CA 3.45Å; V328-D332 PolarHBondContact O-N 3.48Å; D332-A335 WeakPolarHBondContact O-CB 3.48Å; D332-A335 PolarHBondContact O-N 3.42Å; D332-Q336 PolarHBondContact O-N 3.34Å
333	D	98.8	Very high	98.8	Very high	117 Å²	117	42.8 Å²	42.8	63%	0.626	22%	0.216	S	C	*	.	H	α-helix	trans	-65.7	-46.8	176.9	-62.6	-33.1	0	0	0	111	N331 A335 Q336 E337	N331-D333 VanDerWaalsContact C-N 3.32Å; N331-D333 PolarHBondContact O-N 3.11Å; D333-A335 VanDerWaalsContact C-N 3.28Å; D333-A335 PolarHBondContact O-N 3.14Å; D333-Q336 WeakPolarHBondContact O-CB 3.37Å; D333-Q336 PolarHBondContact O-N 3.02Å; D333-Q336 VanDerWaalsContact O-N 3.11Å; D333-E337 WeakPolarHBondContact O-CG 3.49Å; D333-E337 PolarHBondContact O-N 3.39Å
334	V	98.8	Very high	98.8	Very high	34 Å²	34	41.6 Å²	41.6	21%	0.206	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-40.3	174.7	178.4	0	0	0	0	110.8	I36 I39 N331 Q336 E337 I338	I36-V334 HydrophobicContact CD1-CG2 4.28Å; I39-V334 HydrophobicContact CD1-CG1 3.71Å; N331-V334 HydrophobicContact CB-CB 4.26Å; N331-V334 HydrophobicContact CB-CG2 4.4Å; N331-V334 PolarHBondContact O-N 2.98Å; V334-Q336 VanDerWaalsContact C-N 3.34Å; V334-Q336 PolarHBondContact O-N 2.9Å; V334-E337 PolarHBondContact O-N 2.82Å; V334-I338 HydrophobicContact CG1-CD1 4.27Å; V334-I338 WeakPolarHBondContact O-CG1 3.44Å; V334-I338 PolarHBondContact O-N 3.03Å; V334-I338 VanDerWaalsContact O-N 3.14Å
335	A	98.9	Very high	98.8	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-40.7	175.7	0	0	0	0	0	112.1	W200 L289 V328 N331 D332 D333 A339	W200-A335 HydrophobicContact CH2-CB 4.07Å; W200-A335 HydrophobicContact CZ2-CB 3.88Å; L289-A335 HydrophobicContact CD2-CB 3.74Å; V328-A335 HydrophobicContact CB-CB 3.89Å; V328-A335 HydrophobicContact CG1-CB 4.33Å; N331-A335 PolarHBondContact O-N 2.86Å; D332-A335 WeakPolarHBondContact O-CB 3.48Å; D332-A335 PolarHBondContact O-N 3.42Å; D333-A335 VanDerWaalsContact C-N 3.28Å; D333-A335 PolarHBondContact O-N 3.14Å; A335-A339 WeakPolarHBondContact O-CB 3.24Å; A335-A339 PolarHBondContact O-N 3.4Å; A335-A339 VanDerWaalsContact O-N 3.11Å
336	Q	98.9	Very high	98.8	Very high	72 Å²	72	41.9 Å²	41.9	34%	0.336	21%	0.212	S	C	.	.	H	α-helix	trans	-64.7	-42.6	175.9	-172.1	176.8	-9.4	0	0	111.6	W200 D332 D333 V334 I338 A339 E340	W200-Q336 HydrophobicContact CB-CG 4.06Å; W200-Q336 HydrophobicContact CD2-CB 3.85Å; W200-Q336 HydrophobicContact CD2-CG 3.76Å; W200-Q336 HydrophobicContact CE3-CB 4.43Å; W200-Q336 HydrophobicContact CE3-CG 4.27Å; W200-Q336 HydrophobicContact CG-CB 4.06Å; W200-Q336 HydrophobicContact CG-CG 3.62Å; W200-Q336 HydrophobicContact CZ2-CB 4.09Å; D332-Q336 PolarHBondContact O-N 3.34Å; D333-Q336 WeakPolarHBondContact O-CB 3.37Å; D333-Q336 PolarHBondContact O-N 3.02Å; D333-Q336 VanDerWaalsContact O-N 3.11Å; V334-Q336 VanDerWaalsContact C-N 3.34Å; V334-Q336 PolarHBondContact O-N 2.9Å; Q336-I338 PolarHBondContact O-N 2.81Å; Q336-A339 WeakPolarHBondContact O-CB 3.23Å; Q336-A339 PolarHBondContact O-N 3.34Å; Q336-E340 WeakPolarHBondContact O-CB 3.25Å; Q336-E340 PolarHBondContact O-N 2.95Å
337	E	98.9	Very high	98.8	Very high	100 Å²	100	41.7 Å²	41.7	47%	0.467	21%	0.207	S	C	.	.	H	α-helix	trans	-61.9	-42.2	178.4	-71	175.7	-168.8	0	0	112.7	D333 V334 E340 R341	D333-E337 WeakPolarHBondContact O-CG 3.49Å; D333-E337 PolarHBondContact O-N 3.39Å; V334-E337 PolarHBondContact O-N 2.82Å; E337-E340 PolarHBondContact O-N 3.21Å; E337-R341 WeakPolarHBondContact O-CG 3.5Å; E337-R341 PolarHBondContact O-N 3.32Å; E337-R341 IonicContact OE2-NH1 3.67Å
338	I	98.9	Very high	98.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.2	-44.8	175.7	-62.4	167.8	0	0	0	110.1	I39 L289 I312 V334 Q336 E340 R341 G342	I39-I338 HydrophobicContact CD1-CD1 4.04Å; I39-I338 HydrophobicContact CG1-CD1 4.37Å; L289-I338 HydrophobicContact CD1-CB 3.78Å; L289-I338 HydrophobicContact CD1-CG2 3.49Å; L289-I338 VanDerWaalsContact CD1-CG2 3.49Å; I312-I338 HydrophobicContact CD1-CD1 3.79Å; V334-I338 HydrophobicContact CG1-CD1 4.27Å; V334-I338 WeakPolarHBondContact O-CG1 3.44Å; V334-I338 PolarHBondContact O-N 3.03Å; V334-I338 VanDerWaalsContact O-N 3.14Å; Q336-I338 PolarHBondContact O-N 2.81Å; I338-E340 VanDerWaalsContact C-N 3.34Å; I338-E340 PolarHBondContact O-N 3.17Å; I338-R341 VanDerWaalsContact CG1-NH2 3.26Å; I338-R341 PolarHBondContact O-N 2.8Å; I338-G342 PolarHBondContact O-N 3.02Å
339	A	98.9	Very high	98.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-43.5	178.2	0	0	0	0	0	111.9	W200 L289 A335 Q336 G342 S343	W200-A339 HydrophobicContact CE3-CB 4.34Å; W200-A339 HydrophobicContact CH2-CB 4.41Å; W200-A339 HydrophobicContact CZ3-CB 3.72Å; L289-A339 HydrophobicContact CB-CB 4Å; L289-A339 HydrophobicContact CD1-CB 4.28Å; A335-A339 WeakPolarHBondContact O-CB 3.24Å; A335-A339 PolarHBondContact O-N 3.4Å; A335-A339 VanDerWaalsContact O-N 3.11Å; Q336-A339 WeakPolarHBondContact O-CB 3.23Å; Q336-A339 PolarHBondContact O-N 3.34Å; A339-G342 PolarHBondContact O-N 2.83Å; A339-S343 WeakPolarHBondContact O-CB 3.23Å; A339-S343 PolarHBondContact O-N 2.88Å
340	E	98.9	Very high	98.8	Very high	92 Å²	92	42.2 Å²	42.2	43%	0.43	21%	0.213	S	C	.	.	H	α-helix	trans	-63.9	-48.5	178.2	-176.7	58.9	-153.7	0	0	111.1	Q336 E337 I338 G342 S343 Q344	Q336-E340 WeakPolarHBondContact O-CB 3.25Å; Q336-E340 PolarHBondContact O-N 2.95Å; E337-E340 PolarHBondContact O-N 3.21Å; I338-E340 VanDerWaalsContact C-N 3.34Å; I338-E340 PolarHBondContact O-N 3.17Å; E340-G342 VanDerWaalsContact C-N 3.34Å; E340-G342 PolarHBondContact O-N 3.02Å; E340-S343 WeakPolarHBondContact O-CB 3.48Å; E340-S343 PolarHBondContact O-N 3.34Å; E340-S343 VanDerWaalsContact O-N 3.15Å; E340-Q344 HydrophobicContact CG-CG 4.36Å; E340-Q344 WeakPolarHBondContact O-CB 3.43Å; E340-Q344 VanDerWaalsContact O-CG 3.32Å; E340-Q344 WeakPolarHBondContact O-CG 3.36Å; E340-Q344 PolarHBondContact O-N 3.04Å; E340-Q344 WeakPolarHBondContact OE1-CG 3.22Å; E340-Q344 PolarHBondContact OE1-NE2 3.36Å
341	R	98.9	Very high	98.8	Very high	59 Å²	59	42.7 Å²	42.7	22%	0.223	21%	0.205	C	C	.	.	H	α-helix	trans	-57.9	-45.2	176.4	-74.7	-173.2	-64.1	-96.2	3.4	112	V309 E337 I338 S343 Q344 F345	V309-R341 WeakPolarHBondContact O-CB 3.4Å; V309-R341 PolarHBondContact O-NE 3.21Å; E337-R341 WeakPolarHBondContact O-CG 3.5Å; E337-R341 PolarHBondContact O-N 3.32Å; E337-R341 IonicContact OE2-NH1 3.67Å; I338-R341 VanDerWaalsContact CG1-NH2 3.26Å; I338-R341 PolarHBondContact O-N 2.8Å; R341-S343 PolarHBondContact O-N 3.34Å; R341-Q344 PolarHBondContact O-N 3.12Å; R341-F345 WeakPolarHBondContact O-CB 3.47Å; R341-F345 PolarHBondContact O-N 2.96Å
342	G	98.9	Very high	98.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-41.9	175.9	0	0	0	0	0	112.9	I338 A339 E340 I346	I338-G342 PolarHBondContact O-N 3.02Å; A339-G342 PolarHBondContact O-N 2.83Å; E340-G342 VanDerWaalsContact C-N 3.34Å; E340-G342 PolarHBondContact O-N 3.02Å; G342-I346 PolarHBondContact O-N 3.35Å
343	S	98.9	Very high	98.9	Very high	6 Å²	6	45.8 Å²	45.8	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-49.8	175.1	-158.3	0	0	0	0	111.6	F284 A339 E340 R341 F345 I346 R347	F284-S343 WeakPolarHBondContact O-CA 3.43Å; F284-S343 VanDerWaalsContact O-CB 3.25Å; F284-S343 WeakPolarHBondContact O-CB 3.43Å; F284-S343 PolarHBondContact O-OG 3.2Å; A339-S343 WeakPolarHBondContact O-CB 3.23Å; A339-S343 PolarHBondContact O-N 2.88Å; E340-S343 WeakPolarHBondContact O-CB 3.48Å; E340-S343 PolarHBondContact O-N 3.34Å; E340-S343 VanDerWaalsContact O-N 3.15Å; R341-S343 PolarHBondContact O-N 3.34Å; S343-F345 VanDerWaalsContact C-N 3.34Å; S343-F345 PolarHBondContact O-N 3.22Å; S343-I346 PolarHBondContact O-N 2.89Å; S343-R347 VanDerWaalsContact O-CG 3.24Å; S343-R347 WeakPolarHBondContact O-CG 3.28Å; S343-R347 PolarHBondContact O-N 2.89Å
344	Q	98.9	Very high	98.9	Very high	71 Å²	71	40.5 Å²	40.5	33%	0.332	19%	0.193	S	C	.	.	H	α-helix	trans	-59.6	-42.9	179.6	-71.1	-63.5	-16.6	0	0	112.1	E340 R341 I346 R347 N348	E340-Q344 HydrophobicContact CG-CG 4.36Å; E340-Q344 WeakPolarHBondContact O-CB 3.43Å; E340-Q344 VanDerWaalsContact O-CG 3.32Å; E340-Q344 WeakPolarHBondContact O-CG 3.36Å; E340-Q344 PolarHBondContact O-N 3.04Å; E340-Q344 WeakPolarHBondContact OE1-CG 3.22Å; E340-Q344 PolarHBondContact OE1-NE2 3.36Å; R341-Q344 PolarHBondContact O-N 3.12Å; Q344-I346 PolarHBondContact O-N 3.11Å; Q344-R347 PolarHBondContact O-N 3.43Å; Q344-N348 WeakPolarHBondContact O-CB 3.5Å; Q344-N348 PolarHBondContact O-N 3.49Å; Q344-N348 PolarHBondContact O-ND2 3Å; Q344-N348 PolarHBondContact OE1-ND2 3.28Å
345	F	98.9	Very high	98.9	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-48.9	177.6	-176.3	-86.9	0	0	0	111.8	Y57 Q304 L305 H310 R341 S343 R347 N348 H349	Y57-F345 HydrophobicContact CE1-CZ 4.21Å; Q304-F345 HydrophobicContact CB-CE1 4.19Å; Q304-F345 HydrophobicContact CB-CE2 4.03Å; Q304-F345 HydrophobicContact CB-CZ 3.4Å; Q304-F345 HydrophobicContact CG-CZ 4.38Å; L305-F345 HydrophobicContact CD2-CD1 3.45Å; L305-F345 VanDerWaalsContact CD2-CD1 3.45Å; L305-F345 HydrophobicContact CD2-CE1 3.97Å; L305-F345 HydrophobicContact CD2-CG 4.13Å; L305-F345 HydrophobicContact CG-CD1 4.13Å; L305-F345 HydrophobicContact CG-CE1 4.14Å; H310-F345 AromaticContact NE2-CD2 3.77Å; H310-F345 AromaticContact NE2-CG 3.94Å; R341-F345 WeakPolarHBondContact O-CB 3.47Å; R341-F345 PolarHBondContact O-N 2.96Å; S343-F345 VanDerWaalsContact C-N 3.34Å; S343-F345 PolarHBondContact O-N 3.22Å; F345-R347 PolarHBondContact O-N 3.16Å; F345-N348 PolarHBondContact O-N 3.34Å; F345-H349 AromaticContact CD2-CD2 3.79Å; F345-H349 HydrophobicContact CE1-CB 4.41Å; F345-H349 HydrophobicContact CE2-CB 4.24Å; F345-H349 AromaticContact CE2-CD2 3.92Å; F345-H349 HydrophobicContact CZ-CB 4.1Å; F345-H349 WeakPolarHBondContact O-CB 3.45Å; F345-H349 PolarHBondContact O-N 2.9Å
346	I	98.9	Very high	98.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.7	-35.5	179.2	-62.7	-63.2	0	0	0	112	W184 R188 F284 L285 F301 L305 G342 S343 Q344 N348 L350	W184-I346 HydrophobicContact CH2-CG2 4Å; W184-I346 HydrophobicContact CZ2-CG2 3.76Å; R188-I346 PolarHBondContact NH1-O 3.04Å; F284-I346 HydrophobicContact CB-CB 4.14Å; F284-I346 HydrophobicContact CB-CG1 3.64Å; F284-I346 HydrophobicContact CD2-CD1 4.23Å; F284-I346 HydrophobicContact CD2-CG1 3.74Å; F284-I346 HydrophobicContact CG-CG1 3.76Å; L285-I346 HydrophobicContact CD1-CG2 4.21Å; L285-I346 HydrophobicContact CD2-CB 4.17Å; L285-I346 HydrophobicContact CD2-CG2 3.77Å; L285-I346 HydrophobicContact CG-CG2 3.79Å; F301-I346 HydrophobicContact CD2-CD1 4.49Å; F301-I346 HydrophobicContact CE2-CD1 4.42Å; L305-I346 HydrophobicContact CD1-CD1 4.2Å; L305-I346 HydrophobicContact CD2-CD1 4.19Å; G342-I346 PolarHBondContact O-N 3.35Å; S343-I346 PolarHBondContact O-N 2.89Å; Q344-I346 PolarHBondContact O-N 3.11Å; I346-N348 VanDerWaalsContact C-N 3.34Å; I346-L350 HydrophobicContact CD1-CB 4.25Å; I346-L350 HydrophobicContact CD1-CD2 3.85Å; I346-L350 HydrophobicContact CG2-CB 4.33Å; I346-L350 HydrophobicContact CG2-CD2 4.45Å; I346-L350 PolarHBondContact O-N 3.35Å
347	R	98.8	Very high	98.9	Very high	90 Å²	90	37.1 Å²	37.1	34%	0.34	18%	0.178	S	C	.	.	H	α-helix	trans	-62	-43.6	175.2	-72.4	174.6	73	104.4	10	111.3	R188 V192 L285 S343 Q344 F345 Q351	R188-R347 PolarHBondContact NH2-O 2.9Å; V192-R347 VanDerWaalsContact CG1-NH1 3.34Å; L285-R347 HydrophobicContact CD2-CB 4.48Å; L285-R347 HydrophobicContact CD2-CG 3.46Å; L285-R347 VanDerWaalsContact CD2-CG 3.46Å; S343-R347 VanDerWaalsContact O-CG 3.24Å; S343-R347 WeakPolarHBondContact O-CG 3.28Å; S343-R347 PolarHBondContact O-N 2.89Å; Q344-R347 PolarHBondContact O-N 3.43Å; F345-R347 PolarHBondContact O-N 3.16Å; R347-Q351 WeakPolarHBondContact O-CG 3.48Å
348	N	98.7	Very high	98.9	Very high	73 Å²	73	32.4 Å²	32.4	39%	0.39	16%	0.156	S	C	.	.	H	α-helix	trans	-95.7	-28.3	-167.2	-59	-20.3	0	0	0	113.5	Q344 F345 I346 Q351	Q344-N348 WeakPolarHBondContact O-CB 3.5Å; Q344-N348 PolarHBondContact O-N 3.49Å; Q344-N348 PolarHBondContact O-ND2 3Å; Q344-N348 PolarHBondContact OE1-ND2 3.28Å; F345-N348 PolarHBondContact O-N 3.34Å; I346-N348 VanDerWaalsContact C-N 3.34Å; N348-Q351 PolarHBondContact O-NE2 3.34Å
349	H	98.8	Very high	98.9	Very high	22 Å²	22	32.4 Å²	32.4	10%	0.102	16%	0.156	C	C	.	.	H	α-helix	trans	-123.7	3.2	-172.1	-54.4	-63.5	0	0	0	114.3	C49 S51 Y57 F345 D354	C49-H349 PolarHBondContact O-CE1 3.21Å; C49-H349 VanDerWaalsContact O-CE1 3.24Å; C49-H349 PolarHBondContact O-NE2 3.47Å; S51-H349 PolarHBondContact O-CE1 2.92Å; S51-H349 VanDerWaalsContact O-CE1 3.29Å; S51-H349 PolarHBondContact O-ND1 3.47Å; Y57-H349 WeakPolarHBondContact CE2-O 3.5Å; Y57-H349 VanDerWaalsContact CZ-O 3.23Å; Y57-H349 PolarHBondContact OH-O 3.41Å; F345-H349 AromaticContact CD2-CD2 3.79Å; F345-H349 HydrophobicContact CE1-CB 4.41Å; F345-H349 HydrophobicContact CE2-CB 4.24Å; F345-H349 AromaticContact CE2-CD2 3.92Å; F345-H349 HydrophobicContact CZ-CB 4.1Å; F345-H349 WeakPolarHBondContact O-CB 3.45Å; F345-H349 PolarHBondContact O-N 2.9Å; H349-D354 WeakPolarHBondContact CA-OD2 3.35Å
350	L	98.8	Very high	98.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-126.9	46.5	171.3	-160.4	70.1	0	0	0	110.3	F166 W184 R188 K281 F300 F301 I346 D354 I355	F166-L350 HydrophobicContact CE1-CD2 4.32Å; F166-L350 HydrophobicContact CE1-CG 4.32Å; F166-L350 HydrophobicContact CZ-CD1 4.32Å; F166-L350 HydrophobicContact CZ-CD2 4.35Å; F166-L350 HydrophobicContact CZ-CG 4.47Å; W184-L350 HydrophobicContact CZ2-CD2 4.36Å; W184-L350 PolarHBondContact NE1-O 3.35Å; R188-L350 PolarHBondContact NH1-O 3.29Å; K281-L350 HydrophobicContact CB-CD2 3.87Å; K281-L350 HydrophobicContact CD-CD2 4.21Å; F300-L350 HydrophobicContact CE1-CD1 4.31Å; F300-L350 HydrophobicContact CZ-CD1 3.77Å; F301-L350 HydrophobicContact CB-CD1 3.76Å; F301-L350 HydrophobicContact CD1-CD1 4.04Å; F301-L350 HydrophobicContact CD1-CD2 4.15Å; F301-L350 HydrophobicContact CD2-CD1 4.47Å; F301-L350 HydrophobicContact CD2-CD2 3.95Å; F301-L350 HydrophobicContact CE1-CD2 4.21Å; F301-L350 HydrophobicContact CE2-CD2 4Å; F301-L350 HydrophobicContact CG-CD1 3.84Å; F301-L350 HydrophobicContact CG-CD2 4.02Å; F301-L350 HydrophobicContact CZ-CD2 4.13Å; I346-L350 HydrophobicContact CD1-CB 4.25Å; I346-L350 HydrophobicContact CD1-CD2 3.85Å; I346-L350 HydrophobicContact CG2-CB 4.33Å; I346-L350 HydrophobicContact CG2-CD2 4.45Å; I346-L350 PolarHBondContact O-N 3.35Å; L350-D354 PolarHBondContact N-OD2 3.27Å; L350-I355 HydrophobicContact CD1-CD1 3.81Å; L350-I355 HydrophobicContact CG-CD1 4.35Å
351	Q	98.8	Very high	98.9	Very high	70 Å²	70	32.6 Å²	32.6	33%	0.327	16%	0.158	S	C	.	.	S	Bend	trans	-75.3	169.1	173.2	-51.7	-171	50.3	0	0	110.5	R347 N348 D353 D354 I355	R347-Q351 WeakPolarHBondContact O-CG 3.48Å; N348-Q351 PolarHBondContact O-NE2 3.34Å; Q351-D353 VanDerWaalsContact C-N 3.26Å; Q351-D353 PolarHBondContact O-N 3.02Å; Q351-D354 WeakPolarHBondContact CB-OD2 3.36Å; Q351-D354 WeakPolarHBondContact CG-OD2 3.43Å; Q351-D354 PolarHBondContact N-OD2 3.47Å; Q351-D354 WeakPolarHBondContact O-CB 3.48Å; Q351-D354 PolarHBondContact O-N 2.99Å; Q351-I355 WeakPolarHBondContact O-CG1 3.34Å; Q351-I355 PolarHBondContact O-N 3.29Å
352	M	98.8	Very high	98.9	Very high	27 Å²	27	29.8 Å²	29.8	13%	0.133	15%	0.148	C	C	.	.	H	α-helix	trans	-62.8	-37.7	176.7	-160.6	64.1	166	0	0	111.3	F114 W167 D185 D354 I355 T356	F114-M352 HydrophobicContact CE1-CE 3.44Å; F114-M352 VanDerWaalsContact CE1-CE 3.44Å; F114-M352 HydrophobicContact CE1-SD 4.02Å; F114-M352 HydrophobicContact CZ-CE 3.44Å; F114-M352 VanDerWaalsContact CZ-CE 3.44Å; F114-M352 HydrophobicContact CZ-SD 4.11Å; W167-M352 HydrophobicContact CE3-CE 3.56Å; W167-M352 HydrophobicContact CZ3-CE 4.15Å; D185-M352 HydrophobicContact CB-CB 4.38Å; D185-M352 HydrophobicContact CB-CG 4.4Å; M352-D354 VanDerWaalsContact C-N 3.29Å; M352-D354 PolarHBondContact O-N 3.45Å; M352-I355 WeakPolarHBondContact O-CA 3.43Å; M352-I355 VanDerWaalsContact O-CB 3.28Å; M352-I355 WeakPolarHBondContact O-CB 3.23Å; M352-I355 PolarHBondContact O-N 3.39Å; M352-T356 PolarHBondContact O-N 3.31Å; M352-T356 VanDerWaalsContact O-N 3.1Å
353	D	98.8	Very high	98.9	Very high	120 Å²	120	29.8 Å²	29.8	64%	0.642	15%	0.148	S	C	*	.	H	α-helix	trans	-62.3	-34.5	175.7	-63.8	-5.4	0	0	0	112.4	Q351 I355 T356 C357	Q351-D353 VanDerWaalsContact C-N 3.26Å; Q351-D353 PolarHBondContact O-N 3.02Å; D353-I355 VanDerWaalsContact C-N 3.27Å; D353-I355 PolarHBondContact O-N 3.21Å; D353-T356 PolarHBondContact O-N 3.16Å; D353-C357 WeakPolarHBondContact O-CB 3.35Å; D353-C357 PolarHBondContact O-N 3.43Å
354	D	98.8	Very high	98.8	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.027	16%	0.156	C	C	.	.	H	α-helix	trans	-65.5	-33.6	174.8	-63.9	-58.2	0	0	0	111.7	C54 H349 L350 Q351 M352 Y358	C54-D354 HydrophobicContact CB-CB 4.45Å; H349-D354 WeakPolarHBondContact CA-OD2 3.35Å; L350-D354 PolarHBondContact N-OD2 3.27Å; Q351-D354 WeakPolarHBondContact CB-OD2 3.36Å; Q351-D354 WeakPolarHBondContact CG-OD2 3.43Å; Q351-D354 PolarHBondContact N-OD2 3.47Å; Q351-D354 WeakPolarHBondContact O-CB 3.48Å; Q351-D354 PolarHBondContact O-N 2.99Å; M352-D354 VanDerWaalsContact C-N 3.29Å; M352-D354 PolarHBondContact O-N 3.45Å; D354-Y358 VanDerWaalsContact O-CB 3.31Å; D354-Y358 WeakPolarHBondContact O-CB 3.41Å; D354-Y358 PolarHBondContact O-N 2.89Å
355	I	98.9	Very high	98.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.7	-50.8	176.5	-53.9	-46.5	0	0	0	110.2	F114 P162 F166 F300 L350 Q351 M352 D353 Y358 W359	F114-I355 HydrophobicContact CD1-CG2 3.91Å; F114-I355 HydrophobicContact CD2-CG2 4.45Å; F114-I355 HydrophobicContact CE1-CB 4.06Å; F114-I355 HydrophobicContact CE1-CG2 3.47Å; F114-I355 VanDerWaalsContact CE1-CG2 3.47Å; F114-I355 HydrophobicContact CE2-CG2 4.1Å; F114-I355 HydrophobicContact CG-CG2 4.37Å; F114-I355 HydrophobicContact CZ-CB 4.47Å; F114-I355 HydrophobicContact CZ-CG2 3.59Å; P162-I355 HydrophobicContact CB-CG2 3.56Å; P162-I355 HydrophobicContact CG-CG2 4.2Å; F166-I355 HydrophobicContact CB-CG1 4.41Å; F166-I355 HydrophobicContact CB-CG2 4.1Å; F166-I355 HydrophobicContact CD1-CD1 3.78Å; F166-I355 HydrophobicContact CD1-CG1 3.73Å; F166-I355 HydrophobicContact CD2-CD1 4.05Å; F166-I355 HydrophobicContact CD2-CG1 4.29Å; F166-I355 HydrophobicContact CD2-CG2 4.08Å; F166-I355 HydrophobicContact CE1-CD1 3.51Å; F166-I355 HydrophobicContact CE1-CG1 3.99Å; F166-I355 HydrophobicContact CE2-CD1 3.82Å; F166-I355 HydrophobicContact CG-CD1 4.06Å; F166-I355 HydrophobicContact CG-CG1 3.91Å; F166-I355 HydrophobicContact CG-CG2 4.07Å; F166-I355 HydrophobicContact CZ-CD1 3.54Å; F166-I355 HydrophobicContact CZ-CG1 4.4Å; F300-I355 HydrophobicContact CE1-CD1 4.09Å; F300-I355 HydrophobicContact CZ-CD1 3.79Å; L350-I355 HydrophobicContact CD1-CD1 3.81Å; L350-I355 HydrophobicContact CG-CD1 4.35Å; Q351-I355 WeakPolarHBondContact O-CG1 3.34Å; Q351-I355 PolarHBondContact O-N 3.29Å; M352-I355 WeakPolarHBondContact O-CA 3.43Å; M352-I355 VanDerWaalsContact O-CB 3.28Å; M352-I355 WeakPolarHBondContact O-CB 3.23Å; M352-I355 PolarHBondContact O-N 3.39Å; D353-I355 VanDerWaalsContact C-N 3.27Å; D353-I355 PolarHBondContact O-N 3.21Å; I355-Y358 PolarHBondContact O-N 3.01Å; I355-W359 PolarHBondContact O-N 3.23Å; I355-W359 VanDerWaalsContact O-N 3.15Å
356	T	98.8	Very high	98.9	Very high	11 Å²	11	30 Å²	30	7%	0.067	15%	0.151	C	C	.	.	H	α-helix	trans	-59.5	-47.6	176.6	-63.7	0	0	0	0	110.9	E117 V118 M352 D353 Y358 W359 E360	E117-T356 HydrophobicContact CG-CG2 4.07Å; E117-T356 WeakPolarHBondContact OE1-CG2 3.32Å; E117-T356 PolarHBondContact OE1-OG1 3.42Å; V118-T356 HydrophobicContact CG1-CG2 3.28Å; M352-T356 PolarHBondContact O-N 3.31Å; M352-T356 VanDerWaalsContact O-N 3.1Å; D353-T356 PolarHBondContact O-N 3.16Å; T356-Y358 PolarHBondContact O-N 3.45Å; T356-W359 PolarHBondContact O-N 2.97Å; T356-E360 PolarHBondContact O-N 2.85Å
357	C	98.9	Very high	98.9	Very high	27 Å²	27	30.8 Å²	30.8	18%	0.182	16%	0.157	C	C	.	.	H	α-helix	trans	-58.8	-44	177.8	173	0	0	0	0	112	C54 D353 W359 E360 N361	C54-C357 HydrophobicContact CB-CB 3.6Å; C54-C357 WeakPolarHBondContact CB-SG 3.49Å; C54-C357 PolarHBondContact N-SG 3.36Å; C54-C357 VanDerWaalsContact N-SG 3.35Å; C54-C357 WeakPolarHBondContact SG-CB 3.34Å; C54-C357 PolarHBondContact SG-O 3.18Å; C54-C357 VanDerWaalsContact SG-O 3.39Å; C54-C357 CovalentContact SG-SG 2.04Å; C54-C357 PolarHBondContact SG-SG 2.64Å; D353-C357 WeakPolarHBondContact O-CB 3.35Å; D353-C357 PolarHBondContact O-N 3.43Å; C357-W359 PolarHBondContact O-N 2.88Å; C357-E360 PolarHBondContact O-N 3.14Å; C357-N361 PolarHBondContact O-N 3.08Å
358	Y	98.9	Very high	98.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-41.6	-179.5	-172.1	-87.4	0	0	0	111.5	C54 Y57 I61 P162 F300 D354 I355 T356 N361 L362	C54-Y358 PolarHBondContact SG-N 3.22Å; Y57-Y358 VanDerWaalsContact CB-CE2 3.49Å; Y57-Y358 HydrophobicContact CD2-CD2 4.48Å; Y57-Y358 HydrophobicContact CG-CD2 4.33Å; I61-Y358 HydrophobicContact CD1-CD2 4.03Å; I61-Y358 HydrophobicContact CD1-CE2 3.72Å; I61-Y358 HydrophobicContact CG1-CD2 4.32Å; I61-Y358 HydrophobicContact CG1-CE1 4.3Å; I61-Y358 HydrophobicContact CG1-CE2 3.5Å; I61-Y358 WeakPolarHBondContact CG1-OH 3.36Å; P162-Y358 HydrophobicContact CG-CD1 3.49Å; P162-Y358 VanDerWaalsContact CG-CD1 3.49Å; P162-Y358 HydrophobicContact CG-CE1 4.28Å; P162-Y358 HydrophobicContact CG-CG 4.14Å; F300-Y358 HydrophobicContact CB-CE1 4Å; F300-Y358 AromaticContact CD2-CD1 3.91Å; F300-Y358 HydrophobicContact CD2-CD1 3.91Å; F300-Y358 AromaticContact CD2-CD2 3.58Å; F300-Y358 HydrophobicContact CD2-CD2 3.58Å; F300-Y358 AromaticContact CD2-CE1 3.81Å; F300-Y358 HydrophobicContact CD2-CE1 3.81Å; F300-Y358 AromaticContact CD2-CE2 3.52Å; F300-Y358 HydrophobicContact CD2-CE2 3.52Å; F300-Y358 AromaticContact CD2-CG 3.76Å; F300-Y358 HydrophobicContact CD2-CG 3.76Å; F300-Y358 AromaticContact CD2-CZ 3.62Å; F300-Y358 HydrophobicContact CE2-CD1 4.23Å; F300-Y358 AromaticContact CE2-CD2 3.74Å; F300-Y358 HydrophobicContact CE2-CD2 3.74Å; F300-Y358 HydrophobicContact CE2-CE2 4.16Å; F300-Y358 AromaticContact CE2-CG 3.76Å; F300-Y358 HydrophobicContact CE2-CG 3.76Å; F300-Y358 HydrophobicContact CG-CD1 4.31Å; F300-Y358 HydrophobicContact CG-CE1 4Å; F300-Y358 HydrophobicContact CG-CE2 4.4Å; D354-Y358 VanDerWaalsContact O-CB 3.31Å; D354-Y358 WeakPolarHBondContact O-CB 3.41Å; D354-Y358 PolarHBondContact O-N 2.89Å; I355-Y358 PolarHBondContact O-N 3.01Å; T356-Y358 PolarHBondContact O-N 3.45Å; Y358-N361 PolarHBondContact O-N 2.92Å; Y358-L362 HydrophobicContact CD1-CB 4.36Å; Y358-L362 HydrophobicContact CD1-CD2 4.46Å; Y358-L362 HydrophobicContact CE1-CB 4.28Å; Y358-L362 HydrophobicContact CE1-CD2 3.99Å; Y358-L362 WeakPolarHBondContact O-CB 3.2Å; Y358-L362 PolarHBondContact O-N 2.98Å
359	W	98.9	Very high	98.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-44.9	173.5	-88.4	114	0	0	0	112.6	V111 F114 I115 I129 Y161 P162 I355 T356 C357 L363	V111-W359 HydrophobicContact CG1-CH2 3.89Å; V111-W359 HydrophobicContact CG1-CZ2 4.1Å; V111-W359 HydrophobicContact CG2-CZ2 4.34Å; F114-W359 HydrophobicContact CB-CB 4.5Å; F114-W359 VanDerWaalsContact CB-CD1 3.41Å; F114-W359 HydrophobicContact CB-CG 3.94Å; F114-W359 AromaticContact CD2-NE1 3.72Å; F114-W359 AromaticContact CG-CD1 3.69Å; F114-W359 AromaticContact CG-NE1 3.78Å; I115-W359 HydrophobicContact CG1-CE3 4.46Å; I115-W359 HydrophobicContact CG1-CZ3 4.5Å; I129-W359 HydrophobicContact CD1-CH2 4.31Å; I129-W359 HydrophobicContact CD1-CZ3 4.43Å; Y161-W359 HydrophobicContact CD1-CH2 4.46Å; Y161-W359 AromaticContact CD2-CH2 3.36Å; Y161-W359 HydrophobicContact CD2-CH2 3.36Å; Y161-W359 AromaticContact CD2-CZ2 3.18Å; Y161-W359 HydrophobicContact CD2-CZ2 3.18Å; Y161-W359 HydrophobicContact CE2-CH2 4.11Å; Y161-W359 AromaticContact CE2-CZ2 3.93Å; Y161-W359 HydrophobicContact CE2-CZ2 3.93Å; Y161-W359 AromaticContact CG-CH2 3.54Å; Y161-W359 HydrophobicContact CG-CH2 3.54Å; Y161-W359 AromaticContact CG-CZ2 3.81Å; Y161-W359 HydrophobicContact CG-CZ2 3.81Å; Y161-W359 HydrophobicContact CG-CZ3 4.37Å; P162-W359 HydrophobicContact CG-CG 4.28Å; P162-W359 PolarHBondContact O-NE1 3.49Å; I355-W359 PolarHBondContact O-N 3.23Å; I355-W359 VanDerWaalsContact O-N 3.15Å; T356-W359 PolarHBondContact O-N 2.97Å; C357-W359 PolarHBondContact O-N 2.88Å; W359-L363 HydrophobicContact CE3-CD1 3.94Å; W359-L363 HydrophobicContact CE3-CG 4.12Å; W359-L363 HydrophobicContact CZ3-CD1 4.4Å; W359-L363 HydrophobicContact CZ3-CD2 4.45Å; W359-L363 WeakPolarHBondContact O-CB 3.19Å; W359-L363 WeakPolarHBondContact O-CG 3.38Å; W359-L363 PolarHBondContact O-N 3.18Å
360	E	98.9	Very high	98.9	Very high	44 Å²	44	31.6 Å²	31.6	21%	0.206	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-50.2	177.6	-175.4	167.8	167.6	0	0	111.7	V118 R121 T356 C357 S364	V118-E360 HydrophobicContact CB-CB 4.02Å; V118-E360 HydrophobicContact CB-CG 4.27Å; V118-E360 HydrophobicContact CG1-CB 4.01Å; V118-E360 HydrophobicContact CG2-CB 4.24Å; R121-E360 VanDerWaalsContact CD-OE1 3.31Å; R121-E360 WeakPolarHBondContact CD-OE1 3.06Å; R121-E360 IonicContact CZ-OE1 3Å; R121-E360 IonicContact CZ-OE2 3.93Å; R121-E360 VanDerWaalsContact CZ-OE2 3.31Å; R121-E360 IonicContact NE-OE1 2.69Å; R121-E360 PolarHBondContact NE-OE1 3.32Å; R121-E360 IonicContact NE-OE2 3.32Å; R121-E360 PolarHBondContact NE-OE2 3.19Å; R121-E360 IonicContact NH2-OE2 3.2Å; R121-E360 PolarHBondContact NH2-OE2 3.07Å; T356-E360 PolarHBondContact O-N 2.85Å; C357-E360 PolarHBondContact O-N 3.14Å; E360-S364 WeakPolarHBondContact O-CB 3.42Å; E360-S364 PolarHBondContact O-N 3.34Å; E360-S364 PolarHBondContact O-OG 2.86Å
361	N	98.9	Very high	98.8	Very high	54 Å²	54	35.5 Å²	35.5	29%	0.289	19%	0.187	S	C	.	.	H	α-helix	trans	-65.6	-45.7	-179.2	-71.6	-7	0	0	0	111.5	C54 I61 C357 Y358 L363 S364 E365	C54-N361 PolarHBondContact SG-ND2 3.07Å; I61-N361 HydrophobicContact CD1-CB 3.93Å; C357-N361 PolarHBondContact O-N 3.08Å; Y358-N361 PolarHBondContact O-N 2.92Å; N361-L363 PolarHBondContact O-N 2.98Å; N361-S364 PolarHBondContact O-N 3.12Å; N361-E365 WeakPolarHBondContact O-CG 3.27Å; N361-E365 PolarHBondContact O-N 2.89Å
362	L	98.9	Very high	98.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.5	-50.7	-179.8	173.3	62.6	0	0	0	111.6	I61 F148 I159 M160 Y358 Y366	I61-L362 HydrophobicContact CD1-CB 4.18Å; I61-L362 HydrophobicContact CG1-CB 4.39Å; I61-L362 HydrophobicContact CG1-CD1 4.22Å; I61-L362 HydrophobicContact CG2-CD1 4.05Å; F148-L362 HydrophobicContact CD1-CD2 4.07Å; F148-L362 HydrophobicContact CE1-CD1 4.17Å; F148-L362 HydrophobicContact CE1-CD2 3.8Å; F148-L362 HydrophobicContact CE1-CG 3.93Å; I159-L362 HydrophobicContact CG2-CD1 3.69Å; I159-L362 HydrophobicContact CG2-CD2 4.48Å; M160-L362 VanDerWaalsContact O-CD2 3.31Å; M160-L362 WeakPolarHBondContact O-CD2 3.35Å; Y358-L362 HydrophobicContact CD1-CB 4.36Å; Y358-L362 HydrophobicContact CD1-CD2 4.46Å; Y358-L362 HydrophobicContact CE1-CB 4.28Å; Y358-L362 HydrophobicContact CE1-CD2 3.99Å; Y358-L362 WeakPolarHBondContact O-CB 3.2Å; Y358-L362 PolarHBondContact O-N 2.98Å; L362-Y366 WeakPolarHBondContact O-CB 3.37Å; L362-Y366 PolarHBondContact O-N 3.09Å
363	L	98.9	Very high	98.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-70.2	-37.4	-177.4	-67.6	177.4	0	0	0	111.4	I115 L122 M125 F148 W359 N361 Y366 S367	I115-L363 HydrophobicContact CG1-CD1 4.1Å; L122-L363 HydrophobicContact CD1-CB 4.1Å; L122-L363 HydrophobicContact CD1-CD1 3.68Å; L122-L363 HydrophobicContact CD2-CB 3.88Å; M125-L363 HydrophobicContact CE-CB 4.1Å; M125-L363 WeakPolarHBondContact CE-O 3.39Å; M125-L363 HydrophobicContact SD-CB 3.9Å; M125-L363 HydrophobicContact SD-CD2 4.2Å; F148-L363 HydrophobicContact CE1-CD2 4.37Å; F148-L363 HydrophobicContact CZ-CD2 4.41Å; W359-L363 HydrophobicContact CE3-CD1 3.94Å; W359-L363 HydrophobicContact CE3-CG 4.12Å; W359-L363 HydrophobicContact CZ3-CD1 4.4Å; W359-L363 HydrophobicContact CZ3-CD2 4.45Å; W359-L363 WeakPolarHBondContact O-CB 3.19Å; W359-L363 WeakPolarHBondContact O-CG 3.38Å; W359-L363 PolarHBondContact O-N 3.18Å; N361-L363 PolarHBondContact O-N 2.98Å; L363-Y366 PolarHBondContact O-N 3.48Å; L363-S367 WeakPolarHBondContact O-CB 3.37Å; L363-S367 PolarHBondContact O-N 3.02Å
364	S	98.9	Very high	98.8	Very high	29 Å²	29	34.2 Å²	34.2	20%	0.203	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-47.4	175.1	-62.4	0	0	0	0	111.8	L122 E360 N361 S367	L122-S364 WeakPolarHBondContact CD2-OG 3.17Å; E360-S364 WeakPolarHBondContact O-CB 3.42Å; E360-S364 PolarHBondContact O-N 3.34Å; E360-S364 PolarHBondContact O-OG 2.86Å; N361-S364 PolarHBondContact O-N 3.12Å; S364-S367 PolarHBondContact O-OG 3.16Å
365	E	98.9	Very high	98.8	Very high	57 Å²	57	38.1 Å²	38.1	27%	0.266	21%	0.206	S	C	.	.	H	α-helix	trans	-66.8	-44.3	176.6	-69	-50.8	129.4	0	0	112	I61 L65 N361 S367 K368 F369	I61-E365 HydrophobicContact CG2-CB 4.13Å; I61-E365 HydrophobicContact CG2-CG 4.35Å; L65-E365 HydrophobicContact CD1-CB 3.74Å; N361-E365 WeakPolarHBondContact O-CG 3.27Å; N361-E365 PolarHBondContact O-N 2.89Å; E365-S367 VanDerWaalsContact C-N 3.3Å; E365-S367 PolarHBondContact O-N 3.02Å; E365-K368 WeakPolarHBondContact O-CB 3.47Å; E365-K368 PolarHBondContact O-N 2.84Å; E365-K368 IonicContact OE1-NZ 2.84Å; E365-K368 PolarHBondContact OE1-NZ 3.03Å; E365-K368 WeakPolarHBondContact OE2-CE 3.44Å; E365-K368 IonicContact OE2-NZ 3.5Å; E365-K368 PolarHBondContact OE2-NZ 3.01Å; E365-F369 WeakPolarHBondContact O-CD2 3.45Å; E365-F369 WeakPolarHBondContact O-CE2 3.25Å
366	Y	98.9	Very high	98.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.7	-43.7	177.2	171.4	-100.2	0	0	0	112.6	L65 I72 M77 M125 E126 M127 P146 F148 I159 L362 L363 K368 F369 L370	L65-Y366 HydrophobicContact CD2-CD2 3.93Å; I72-Y366 HydrophobicContact CD1-CD2 4.14Å; I72-Y366 HydrophobicContact CD1-CE2 3.35Å; M77-Y366 WeakPolarHBondContact CE-OH 3.48Å; M125-Y366 HydrophobicContact SD-CD1 4.27Å; E126-Y366 WeakPolarHBondContact O-CE1 3.36Å; E126-Y366 PolarHBondContact O-OH 2.85Å; M127-Y366 HydrophobicContact CB-CE1 4Å; P146-Y366 HydrophobicContact CB-CE2 3.94Å; F148-Y366 HydrophobicContact CE2-CD1 4.33Å; F148-Y366 AromaticContact CE2-CD2 3.95Å; F148-Y366 HydrophobicContact CE2-CD2 3.95Å; F148-Y366 HydrophobicContact CE2-CE1 4.17Å; F148-Y366 AromaticContact CE2-CE2 3.75Å; F148-Y366 HydrophobicContact CE2-CE2 3.75Å; F148-Y366 HydrophobicContact CE2-CG 4.23Å; F148-Y366 AromaticContact CE2-CZ 3.88Å; F148-Y366 AromaticContact CZ-CD1 4Å; F148-Y366 HydrophobicContact CZ-CD1 4Å; F148-Y366 AromaticContact CZ-CD2 3.58Å; F148-Y366 HydrophobicContact CZ-CD2 3.58Å; F148-Y366 HydrophobicContact CZ-CE1 4.31Å; F148-Y366 AromaticContact CZ-CE2 3.91Å; F148-Y366 HydrophobicContact CZ-CE2 3.91Å; F148-Y366 AromaticContact CZ-CG 3.63Å; F148-Y366 HydrophobicContact CZ-CG 3.63Å; I159-Y366 HydrophobicContact CD1-CD2 4.01Å; I159-Y366 HydrophobicContact CD1-CE2 4.06Å; L362-Y366 WeakPolarHBondContact O-CB 3.37Å; L362-Y366 PolarHBondContact O-N 3.09Å; L363-Y366 PolarHBondContact O-N 3.48Å; Y366-K368 PolarHBondContact O-N 3.49Å; Y366-K368 VanDerWaalsContact O-N 3.13Å; Y366-F369 PolarHBondContact O-N 3.24Å; Y366-L370 HydrophobicContact CE1-CD1 4.4Å; Y366-L370 HydrophobicContact CE1-CG 4.49Å
367	S	98.9	Very high	98.8	Very high	18 Å²	18	48 Å²	48	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-57.9	-30	-176.4	74.4	0	0	0	0	113.6	P123 L363 S364 E365 F369 L370	P123-S367 WeakPolarHBondContact CG-OG 3.48Å; L363-S367 WeakPolarHBondContact O-CB 3.37Å; L363-S367 PolarHBondContact O-N 3.02Å; S364-S367 PolarHBondContact O-OG 3.16Å; E365-S367 VanDerWaalsContact C-N 3.3Å; E365-S367 PolarHBondContact O-N 3.02Å; S367-F369 PolarHBondContact O-N 3.36Å; S367-L370 PolarHBondContact O-N 3.32Å
368	K	98.8	Very high	98.7	Very high	134 Å²	134	57 Å²	57	58%	0.583	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.5	179.7	-58.3	175.6	-170.1	169.9	0	112.5	E365 Y366	E365-K368 WeakPolarHBondContact O-CB 3.47Å; E365-K368 PolarHBondContact O-N 2.84Å; E365-K368 IonicContact OE1-NZ 2.84Å; E365-K368 PolarHBondContact OE1-NZ 3.03Å; E365-K368 WeakPolarHBondContact OE2-CE 3.44Å; E365-K368 IonicContact OE2-NZ 3.5Å; E365-K368 PolarHBondContact OE2-NZ 3.01Å; Y366-K368 PolarHBondContact O-N 3.49Å; Y366-K368 VanDerWaalsContact O-N 3.13Å
369	F	98.8	Very high	98.6	Very high	45 Å²	45	59.1 Å²	59.1	20%	0.197	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.7	-179.4	-61.2	-65.2	0	0	0	113.2	L65 R69 G71 I72 E365 Y366 S367 S371	L65-F369 HydrophobicContact CB-CD2 4.43Å; L65-F369 HydrophobicContact CB-CE2 3.87Å; L65-F369 HydrophobicContact CD1-CD2 4.35Å; L65-F369 HydrophobicContact CD1-CE2 3.9Å; L65-F369 HydrophobicContact CG-CE2 4.43Å; R69-F369 HydrophobicContact CB-CE1 4.26Å; R69-F369 HydrophobicContact CG-CE1 3.94Å; R69-F369 HydrophobicContact CG-CZ 4.21Å; G71-F369 CarbonylContact C-O 3.59Å; G71-F369 VanDerWaalsContact CA-O 3.31Å; G71-F369 WeakPolarHBondContact CA-O 3.47Å; I72-F369 HydrophobicContact CD1-CB 4.1Å; I72-F369 HydrophobicContact CG1-CB 4.45Å; I72-F369 PolarHBondContact N-O 3.21Å; E365-F369 WeakPolarHBondContact O-CD2 3.45Å; E365-F369 WeakPolarHBondContact O-CE2 3.25Å; Y366-F369 PolarHBondContact O-N 3.24Å; S367-F369 PolarHBondContact O-N 3.36Å; F369-S371 PolarHBondContact O-N 3.04Å
370	L	98.8	Very high	98.6	Very high	22 Å²	22	60.2 Å²	60.2	12%	0.115	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-71.6	119.5	173.5	-67.5	170.5	0	0	0	110.2	I72 M77 M125 Y366 S367 Y372 V374	I72-L370 HydrophobicContact CB-CD2 4.02Å; I72-L370 HydrophobicContact CG2-CD2 3.79Å; M77-L370 HydrophobicContact CE-CD2 4.3Å; M125-L370 HydrophobicContact CB-CD1 3.64Å; Y366-L370 HydrophobicContact CE1-CD1 4.4Å; Y366-L370 HydrophobicContact CE1-CG 4.49Å; S367-L370 PolarHBondContact O-N 3.32Å; L370-Y372 HydrophobicContact CB-CE1 4.39Å; L370-Y372 HydrophobicContact CD2-CE1 3.71Å; L370-Y372 PolarHBondContact O-N 3.43Å; L370-V374 HydrophobicContact CD1-CG2 4.19Å
371	S	98.6	Very high	98.6	Very high	82 Å²	82	63 Å²	63	57%	0.573	32%	0.321	S	S	*	.			trans	-90.3	24.4	-177.5	58.8	0	0	0	0	113.8	I72 S73 F369	I72-S371 PolarHBondContact O-N 3.37Å; I72-S371 PolarHBondContact O-OG 2.83Å; S73-S371 WeakPolarHBondContact CA-OG 3.04Å; F369-S371 PolarHBondContact O-N 3.04Å
372	Y	98.8	Very high	98.5	Very high	31 Å²	31	64.2 Å²	64.2	12%	0.122	33%	0.325	C	S	.	.	S	Bend	trans	-159	155.9	-176.1	67	-78.5	0	0	0	111.7	I72 R74 M77 E126 L370 V374	I72-Y372 WeakPolarHBondContact O-CD1 3.29Å; I72-Y372 WeakPolarHBondContact O-CE1 3.29Å; R74-Y372 HydrophobicContact CB-CD1 4.03Å; R74-Y372 HydrophobicContact CB-CD2 3.9Å; R74-Y372 HydrophobicContact CB-CE1 4.29Å; R74-Y372 HydrophobicContact CB-CE2 4.12Å; R74-Y372 HydrophobicContact CB-CG 3.84Å; R74-Y372 HydrophobicContact CG-CD2 4.13Å; R74-Y372 HydrophobicContact CG-CE2 4.14Å; R74-Y372 VanDerWaalsContact CZ-CD2 3.46Å; R74-Y372 VanDerWaalsContact N-CD1 3.26Å; M77-Y372 VanDerWaalsContact CB-OH 3.24Å; M77-Y372 WeakPolarHBondContact CB-OH 3.33Å; M77-Y372 WeakPolarHBondContact CG-OH 3.49Å; E126-Y372 VanDerWaalsContact CG-OH 3.32Å; E126-Y372 WeakPolarHBondContact CG-OH 3.45Å; E126-Y372 WeakPolarHBondContact OE1-CE2 3.42Å; E126-Y372 PolarHBondContact OE1-OH 3.4Å; L370-Y372 HydrophobicContact CB-CE1 4.39Å; L370-Y372 HydrophobicContact CD2-CE1 3.71Å; L370-Y372 PolarHBondContact O-N 3.43Å; Y372-V374 HydrophobicContact CE2-CG2 4.21Å
373	N	98.6	Very high	98.5	Very high	143 Å²	143	65.6 Å²	65.6	77%	0.765	33%	0.332	S	S	*	.			trans	-79.2	128	172.9	-67.6	-23.2	0	0	0	111.1	R74	R74-N373 PolarHBondContact NH2-O 3.13Å
374	V	98.6	Very high	98.2	Very high	17 Å²	17	71 Å²	71	10%	0.103	36%	0.359	C	S	.	.			trans	-70.2	140.5	180	178.5	0	0	0	0	110.6	Q90 I92 E126 L370 Y372	Q90-V374 HydrophobicContact CB-CG1 4.44Å; I92-V374 HydrophobicContact CD1-CG1 4.1Å; I92-V374 HydrophobicContact CG1-CG1 4.15Å; E126-V374 HydrophobicContact CB-CG1 3.84Å; E126-V374 HydrophobicContact CB-CG2 4.21Å; E126-V374 HydrophobicContact CG-CG1 3.99Å; E126-V374 HydrophobicContact CG-CG2 3.86Å; L370-V374 HydrophobicContact CD1-CG2 4.19Å; Y372-V374 HydrophobicContact CE2-CG2 4.21Å
375	T	98.4	Very high	97.3	Very high	86 Å²	86	73.7 Å²	73.7	53%	0.528	38%	0.376	S	S	.	.			trans	-123.5	129.9	175.7	48.9	0	0	0	0	109.4	Q90 R377	Q90-T375 PolarHBondContact NE2-O 3.18Å; T375-R377 PolarHBondContact O-N 3.04Å
376	R	98.4	Very high	95.9	Very high	130 Å²	130	78.6 Å²	78.6	49%	0.491	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-58.5	128.4	-178.8	-173.5	-177.3	163.4	-163.2	-0.4	109.7	I92 Y97 Y380	I92-R376 VanDerWaalsContact CD1-CA 3.46Å; I92-R376 HydrophobicContact CD1-CB 3.54Å; I92-R376 HydrophobicContact CD1-CG 4.42Å; Y97-R376 HydrophobicContact CD1-CG 4.33Å; Y97-R376 VanDerWaalsContact CD1-NE 3.29Å; Y97-R376 HydrophobicContact CD2-CG 4.49Å; Y97-R376 VanDerWaalsContact CE1-CZ 3.47Å; Y97-R376 VanDerWaalsContact CE1-NE 3.34Å; Y97-R376 HydrophobicContact CG-CG 4.28Å; R376-Y380 PolarHBondContact NE-O 2.83Å; R376-Y380 PolarHBondContact NH2-O 3.3Å
377	R	98.4	Very high	93.7	Very high	90 Å²	90	87 Å²	87	34%	0.34	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-71.6	136.7	171.9	-70.9	-165.8	178.9	-154.5	4.7	110.7	T375 G379 Y380	T375-R377 PolarHBondContact O-N 3.04Å; R377-G379 PolarHBondContact O-N 3.44Å; R377-Y380 HydrophobicContact CB-CD1 3.83Å; R377-Y380 HydrophobicContact CB-CD2 4.11Å; R377-Y380 HydrophobicContact CB-CE1 3.93Å; R377-Y380 HydrophobicContact CB-CE2 4.2Å; R377-Y380 HydrophobicContact CB-CG 3.92Å; R377-Y380 PolarHBondContact O-N 3.31Å
378	K	97.8	Very high	91.3	Very high	215 Å²	215	93.7 Å²	93.7	94%	0.935	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	134.2	174.5	-172.6	178.2	179.5	-178.7	0	109.4	Y380	K378-Y380 VanDerWaalsContact C-N 3.34Å
379	G	96.9	Very high	88.4	Confident	45 Å²	45	96.6 Å²	96.6	46%	0.464	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	2	179.5	0	0	0	0	0	115	N100 R377	N100-G379 PolarHBondContact OD1-O 3.31Å; R377-G379 PolarHBondContact O-N 3.44Å
380	Y	98.4	Very high	85.4	Confident	22 Å²	22	100.3 Å²	100.3	9%	0.086	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-82.9	117	169.5	-79.3	25.8	0	0	0	108.8	H88 Q90 R98 E99 R376 R377 K378	H88-Y380 HydrophobicContact CB-CE2 4.32Å; H88-Y380 AromaticContact CE1-CE2 3.9Å; H88-Y380 AromaticContact CG-CE2 3.99Å; H88-Y380 AromaticContact ND1-CE2 3.23Å; H88-Y380 WeakPolarHBondContact ND1-CE2 3.38Å; H88-Y380 AromaticContact ND1-CZ 3.44Å; H88-Y380 PolarHBondContact ND1-OH 2.82Å; Q90-Y380 HydrophobicContact CG-CD2 4.39Å; Q90-Y380 HydrophobicContact CG-CE2 4.45Å; R98-Y380 VanDerWaalsContact C-CD2 3.4Å; R98-Y380 WeakPolarHBondContact O-CA 3.29Å; R98-Y380 WeakPolarHBondContact O-CB 3.13Å; E99-Y380 HydrophobicContact CB-CD1 4.38Å; E99-Y380 HydrophobicContact CB-CE1 3.67Å; E99-Y380 HydrophobicContact CB-CE2 4.05Å; E99-Y380 VanDerWaalsContact CB-CZ 3.48Å; R376-Y380 PolarHBondContact NE-O 2.83Å; R376-Y380 PolarHBondContact NH2-O 3.3Å; R377-Y380 HydrophobicContact CB-CD1 3.83Å; R377-Y380 HydrophobicContact CB-CD2 4.11Å; R377-Y380 HydrophobicContact CB-CE1 3.93Å; R377-Y380 HydrophobicContact CB-CE2 4.2Å; R377-Y380 HydrophobicContact CB-CG 3.92Å; R377-Y380 PolarHBondContact O-N 3.31Å; K378-Y380 VanDerWaalsContact C-N 3.34Å
381	D	97.9	Very high	82.4	Confident	103 Å²	103	108.5 Å²	108.5	55%	0.551	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	148.7	177.4	-70.1	-30.3	0	0	0	110.7	Y97 R98	Y97-D381 WeakPolarHBondContact CA-O 3.27Å; R98-D381 PolarHBondContact N-O 2.7Å
382	Q	98.4	Very high	79.2	Confident	79 Å²	79	116 Å²	116	37%	0.369	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.8	129.5	171.7	-174.1	-179.6	-24.3	0	0	108.4	R95 L96 Y97 I384	R95-Q382 HydrophobicContact CB-CG 4.49Å; L96-Q382 CarbonylContact O-C 3.19Å; L96-Q382 WeakPolarHBondContact O-CA 3.41Å; L96-Q382 WeakPolarHBondContact O-CG 3.28Å; Y97-Q382 HydrophobicContact CD1-CB 3.96Å; Y97-Q382 HydrophobicContact CD1-CG 4.45Å; Y97-Q382 HydrophobicContact CE1-CB 3.8Å; Y97-Q382 HydrophobicContact CE1-CG 4.15Å; Q382-I384 HydrophobicContact CG-CG1 4.23Å
383	I	98.3	Very high	78.2	Confident	29 Å²	29	120.2 Å²	120.2	15%	0.149	60%	0.604	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-82	124.8	169.9	-52.5	-55.8	0	0	0	107.8	L96 R98 E112 L116	L96-I383 HydrophobicContact CB-CB 4.26Å; L96-I383 HydrophobicContact CD2-CB 4.06Å; L96-I383 HydrophobicContact CD2-CG1 4.38Å; L96-I383 HydrophobicContact CD2-CG2 4.33Å; L96-I383 HydrophobicContact CG-CB 4.16Å; L96-I383 HydrophobicContact CG-CG1 4.29Å; L96-I383 PolarHBondContact O-N 3.33Å; R98-I383 HydrophobicContact CB-CD1 3.92Å; R98-I383 HydrophobicContact CB-CG1 3.87Å; E112-I383 HydrophobicContact CB-CG2 4.17Å; E112-I383 HydrophobicContact CG-CG2 3.96Å; L116-I383 HydrophobicContact CD1-CG2 4.17Å
384	I	93.6	Very high	77.2	Confident	114 Å²	114	119 Å²	119	59%	0.585	60%	0.595	S	S	*	*			trans	-116.6	144.7	-177.9	-59	175	0	0	0	107.1	Q382 K386	Q382-I384 HydrophobicContact CG-CG1 4.23Å; I384-K386 PolarHBondContact O-N 3.21Å
385	P	79.5	Confident	76	Confident	86 Å²	86	124.7 Å²	124.7	56%	0.558	62%	0.622	S	S	*	*			trans	-50.5	131	171.7	-24.7	32.3	0	0	0	110.4	L116 M387	L116-P385 HydrophobicContact CD1-CG 4.27Å; P385-M387 PolarHBondContact O-N 3.31Å
386	K	69.4	Low	74.7	Confident	159 Å²	159	126.9 Å²	126.9	69%	0.691	63%	0.628	S	S	*	*			trans	-63.7	110.7	167	-75.1	178.5	-176.5	163.9	0	106.5	I384 L388	I384-K386 PolarHBondContact O-N 3.21Å; K386-L388 PolarHBondContact O-N 2.98Å
387	M	52.3	Low	73.2	Confident	178 Å²	178	126.8 Å²	126.8	88%	0.877	64%	0.637	S	S	*	*			trans	-57.1	112	163.5	-70.9	-113.6	-81	0	0	105.9	P385 K389	P385-M387 PolarHBondContact O-N 3.31Å; M387-K389 PolarHBondContact O-N 3.04Å
388	L	47.5	Very low	71.5	Confident	158 Å²	158	129.2 Å²	129.2	83%	0.827	66%	0.656	S	S	*	*			trans	-53.3	109.8	164.8	-83	155.6	0	0	0	104.9	K386 T390	K386-L388 PolarHBondContact O-N 2.98Å; L388-T390 VanDerWaalsContact C-N 3.25Å; L388-T390 PolarHBondContact O-N 2.88Å
389	K	37.9	Very low	69.6	Low	195 Å²	195	123.1 Å²	123.1	85%	0.848	64%	0.636	S	S	*	*			trans	-59.7	104.3	164.1	-73.9	-172.5	177.7	-177.3	0	104.1	M387 E391	M387-K389 PolarHBondContact O-N 3.04Å; K389-E391 VanDerWaalsContact C-N 3.31Å; K389-E391 PolarHBondContact O-N 3.19Å
390	T	35.9	Very low	67.5	Low	122 Å²	122	129.1 Å²	129.1	75%	0.748	65%	0.65	S	S	*	*			trans	-56.9	106.2	162.2	38.1	0	0	0	0	104.9	L388 L392	L388-T390 VanDerWaalsContact C-N 3.25Å; L388-T390 PolarHBondContact O-N 2.88Å; T390-L392 PolarHBondContact O-N 3.45Å
391	E	37.3	Very low	64.9	Low	195 Å²	195	138 Å²	138	91%	0.911	70%	0.697	S	S	*	*			trans	-58	111	169.4	-68.2	-176	161.1	0	0	106.2	K389	K389-E391 VanDerWaalsContact C-N 3.31Å; K389-E391 PolarHBondContact O-N 3.19Å
392	L	31.1	Very low	61.9	Low	238 Å²	238	141.2 Å²	141.2	100%	1.246	71%	0.71	S	S	*	*			trans	-80.4	0	167.3	-93.3	162.7	0	0	0	109.2	T390	T390-L392 PolarHBondContact O-N 3.45Å

Retrieved 392 of 392 residues in 373.2 ms (Link to these results)

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