A0A087XQ46_POEFO Loading...

Cathepsin S, ortholog2, tandem duplicate 1

AlphaFold DB , UniProt , Accession A0A087XQ46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	43.8	Very low	243 Å²	243	147.6 Å²	147.6	100%	1.197	83%	0.834	S	S	*	*				0	119.1	0	-87.8	169.6	171	0	0	107.5
2	Y	43.3	Very low	44.5	Very low	212 Å²	212	144.3 Å²	144.3	83%	0.831	83%	0.827	S	S	*	*			trans	-59	153	163.3	-102.9	-95.4	0	0	0	109.7
3	P	51.5	Low	44.8	Very low	110 Å²	110	145.2 Å²	145.2	71%	0.714	83%	0.826	S	S	*	*				-144.1	-172.5	69.8	29.3	-6.4	0	0	0	112.5
4	D	40.6	Very low	45.1	Very low	135 Å²	135	145.6 Å²	145.6	72%	0.722	82%	0.824	S	S	*	*			cis	-160.6	151.5	-36.6	-95.9	-35.3	0	0	0	105.8
5	G	43.9	Very low	45.5	Very low	77 Å²	77	144.9 Å²	144.9	79%	0.794	82%	0.816	S	S	*	*			trans	46.6	87.6	142.8	0	0	0	0	0	120.2	G7	G5-G7 PolarHBondContact O-N 3.16Å
6	K	46.1	Very low	45.9	Very low	220 Å²	220	142.7 Å²	142.7	96%	0.957	81%	0.806	S	S	*	*			trans	-84.7	102.8	153.8	-81.7	-171.2	177.8	-178.1	0	110.4
7	G	42.2	Very low	46.2	Very low	72 Å²	72	144.6 Å²	144.6	74%	0.742	80%	0.804	S	S	*	*				59.3	93.9	119.5	0	0	0	0	0	118.7	G5	G5-G7 PolarHBondContact O-N 3.16Å
8	L	48.6	Very low	46.3	Very low	150 Å²	150	144.8 Å²	144.8	79%	0.785	80%	0.802	S	S	*	*			trans	-21	127	141.5	-152.4	83.6	0	0	0	115.1	L10	L8-L10 HydrophobicContact CD1-CD1 4.46Å
9	M	41.8	Very low	46.4	Very low	185 Å²	185	143.3 Å²	143.3	91%	0.911	80%	0.801	S	S	*	*			trans	-148.3	86.5	147.5	-83.4	-60.2	169.1	0	0	108.6	G11	M9-G11 PolarHBondContact O-N 3.36Å
10	L	44.1	Very low	46.7	Very low	148 Å²	148	142.5 Å²	142.5	78%	0.775	80%	0.8	S	S	*	*			trans	-69.6	106.7	156.9	-94.2	110.5	0	0	0	107	L8 S12	L8-L10 HydrophobicContact CD1-CD1 4.46Å; L10-S12 PolarHBondContact O-N 2.83Å
11	G	44.2	Very low	47	Very low	72 Å²	72	138.4 Å²	138.4	74%	0.742	79%	0.789	S	S	*	*			trans	-69.7	95.3	170.1	0	0	0	0	0	110.2	M9 L13	M9-G11 PolarHBondContact O-N 3.36Å; G11-L13 PolarHBondContact O-N 2.7Å
12	S	51.5	Low	47.8	Very low	107 Å²	107	131.3 Å²	131.3	75%	0.748	77%	0.769	S	S	*	*			trans	-71.8	100.5	164.9	-66.3	0	0	0	0	109.2	L10 L14	L10-S12 PolarHBondContact O-N 2.83Å; S12-L14 PolarHBondContact O-N 2.89Å; S12-L14 VanDerWaalsContact O-N 3.12Å
13	L	49.1	Very low	48.5	Very low	156 Å²	156	127.6 Å²	127.6	82%	0.817	77%	0.769	S	S	*	*			trans	-71.3	96	163.5	-97.3	117.8	0	0	0	108.9	G11 L15	G11-L13 PolarHBondContact O-N 2.7Å; L13-L15 PolarHBondContact O-N 3.3Å
14	L	48.5	Very low	49	Very low	152 Å²	152	126.8 Å²	126.8	80%	0.796	76%	0.762	S	S	*	*			trans	-74.7	92.9	161.9	-95.5	151	0	0	0	108.4	S12 V16	S12-L14 PolarHBondContact O-N 2.89Å; S12-L14 VanDerWaalsContact O-N 3.12Å; L14-V16 PolarHBondContact O-N 3.45Å; L14-V16 VanDerWaalsContact O-N 3.13Å
15	L	51.2	Low	50.9	Low	135 Å²	135	125.5 Å²	125.5	71%	0.707	76%	0.763	S	S	*	*			trans	-72.5	93.4	163.6	-94.8	150.7	0	0	0	108.2	L13 F17	L13-L15 PolarHBondContact O-N 3.3Å; L15-F17 PolarHBondContact O-N 2.99Å
16	V	52.5	Low	53.2	Low	109 Å²	109	123.9 Å²	123.9	66%	0.661	74%	0.736	S	S	*	*			trans	-74.8	100.1	167.7	179.8	0	0	0	0	107.5	L14 L18	L14-V16 PolarHBondContact O-N 3.45Å; L14-V16 VanDerWaalsContact O-N 3.13Å; V16-L18 HydrophobicContact CG1-CG 4.39Å; V16-L18 PolarHBondContact O-N 3.47Å
17	F	50.3	Low	55.4	Low	176 Å²	176	115.4 Å²	115.4	77%	0.772	70%	0.701	S	S	*	*			trans	-69.5	96.5	165	-89.6	-87.8	0	0	0	108.5	L15 C19	L15-F17 PolarHBondContact O-N 2.99Å; F17-C19 VanDerWaalsContact C-N 3.27Å; F17-C19 PolarHBondContact O-N 3.33Å
18	L	48.4	Very low	58	Low	147 Å²	147	116 Å²	116	77%	0.77	69%	0.694	S	S	*	*			trans	-71.7	87.1	163	-89.9	153.8	0	0	0	108.2	V16 V20	V16-L18 HydrophobicContact CG1-CG 4.39Å; V16-L18 PolarHBondContact O-N 3.47Å; L18-V20 PolarHBondContact O-N 3.46Å
19	C	48.5	Very low	60.3	Low	116 Å²	116	118.2 Å²	118.2	78%	0.784	69%	0.692	S	S	*	*			trans	-67.9	89.6	158	-75.1	0	0	0	0	107.4	F17 G21	F17-C19 VanDerWaalsContact C-N 3.27Å; F17-C19 PolarHBondContact O-N 3.33Å; C19-G21 PolarHBondContact O-N 2.95Å
20	V	50.8	Low	63	Low	128 Å²	128	111 Å²	111	78%	0.776	66%	0.657	S	S	*	*			trans	-69	91.4	164.8	-177.5	0	0	0	0	106.2	L18 A22	L18-V20 PolarHBondContact O-N 3.46Å; V20-A22 PolarHBondContact O-N 2.9Å
21	G	53.8	Low	65.5	Low	56 Å²	56	107.1 Å²	107.1	58%	0.577	64%	0.637	S	S	*	*			trans	-58.7	124.3	164.5	0	0	0	0	0	107.5	C19 V23	C19-G21 PolarHBondContact O-N 2.95Å; G21-V23 PolarHBondContact O-N 3.32Å
22	A	54	Low	68.1	Low	94 Å²	94	110.2 Å²	110.2	78%	0.777	64%	0.636	S	S	*	*			trans	-60.6	106.6	171.9	0	0	0	0	0	107.6	V20 V24	V20-A22 PolarHBondContact O-N 2.9Å; A22-V24 PolarHBondContact O-N 2.79Å; A22-V24 VanDerWaalsContact O-N 3.08Å
23	V	56.2	Low	70.3	Confident	135 Å²	135	110.4 Å²	110.4	82%	0.818	63%	0.625	S	S	*	*			trans	-66.1	110.3	170.3	-178	0	0	0	0	105.7	G21 S25	G21-V23 PolarHBondContact O-N 3.32Å; V23-S25 PolarHBondContact O-N 2.71Å
24	V	63.7	Low	72.7	Confident	93 Å²	93	103 Å²	103	56%	0.564	59%	0.586	S	S	*	*			trans	-64.5	105.4	170.9	175.8	0	0	0	0	106.6	A22 L26 T56	A22-V24 PolarHBondContact O-N 2.79Å; A22-V24 VanDerWaalsContact O-N 3.08Å; V24-L26 PolarHBondContact O-N 3.37Å; V24-T56 HydrophobicContact CG1-CG2 3.78Å
25	S	79.9	Confident	75	Confident	108 Å²	108	100.3 Å²	100.3	76%	0.755	57%	0.57	S	S	*	*			trans	-80.3	111.5	173.9	-176.6	0	0	0	0	108.6	V23	V23-S25 PolarHBondContact O-N 2.71Å
26	L	91.2	Very high	77.3	Confident	42 Å²	42	99.1 Å²	99.1	22%	0.22	56%	0.564	C	S	.	*			trans	-68.7	144.5	170	-66.1	171	0	0	0	110.3	V24 S28 V52 R55	V24-L26 PolarHBondContact O-N 3.37Å; L26-S28 PolarHBondContact O-N 3.24Å; L26-V52 HydrophobicContact CD1-CG1 4.05Å; L26-V52 HydrophobicContact CD1-CG2 4.37Å; L26-R55 HydrophobicContact CD1-CG 4.36Å; L26-R55 HydrophobicContact CD2-CB 4.31Å; L26-R55 HydrophobicContact CD2-CG 3.94Å
27	D	93.9	Very high	79.5	Confident	42 Å²	42	94.7 Å²	94.7	23%	0.225	54%	0.535	C	S	.	.			trans	-80.4	103.5	179.5	-172.5	-9	0	0	0	111	R29 L30 R55 E59	D27-R29 PolarHBondContact O-N 2.85Å; D27-R29 VanDerWaalsContact OD1-CB 3.28Å; D27-R29 WeakPolarHBondContact OD1-CB 3.19Å; D27-R29 WeakPolarHBondContact OD1-CG 3.36Å; D27-R29 IonicContact OD1-CZ 2.84Å; D27-R29 PolarHBondContact OD1-N 2.67Å; D27-R29 IonicContact OD1-NE 3.25Å; D27-R29 PolarHBondContact OD1-NE 2.73Å; D27-R29 IonicContact OD1-NH2 3.7Å; D27-R29 IonicContact OD2-CZ 2.67Å; D27-R29 VanDerWaalsContact OD2-CZ 3.27Å; D27-R29 IonicContact OD2-NE 2.79Å; D27-R29 PolarHBondContact OD2-NE 3.2Å; D27-R29 VanDerWaalsContact OD2-NE 3.09Å; D27-R29 IonicContact OD2-NH2 3.27Å; D27-R29 PolarHBondContact OD2-NH2 2.85Å; D27-L30 HydrophobicContact CB-CD1 4.03Å; D27-L30 HydrophobicContact CB-CG 4.17Å; D27-L30 WeakPolarHBondContact O-CB 3.45Å; D27-L30 PolarHBondContact O-N 3.48Å; D27-R55 PolarHBondContact O-NH2 3.08Å; D27-E59 PolarHBondContact N-OE1 3.31Å; D27-E59 PolarHBondContact N-OE2 3.24Å
28	S	95.6	Very high	81.8	Confident	86 Å²	86	87.6 Å²	87.6	60%	0.601	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-52.7	-23.7	177.4	59.7	0	0	0	0	114.7	L26 L30 D31	L26-S28 PolarHBondContact O-N 3.24Å; S28-L30 PolarHBondContact O-N 3.29Å; S28-D31 WeakPolarHBondContact CA-OD1 3.19Å; S28-D31 WeakPolarHBondContact O-CB 3.4Å; S28-D31 PolarHBondContact O-N 3.24Å
29	R	97.1	Very high	84.1	Confident	196 Å²	196	88.9 Å²	88.9	74%	0.74	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-68.3	-19.7	176.2	-58.8	171.4	-66.3	-178.7	2.9	112.3	D27	D27-R29 PolarHBondContact O-N 2.85Å; D27-R29 VanDerWaalsContact OD1-CB 3.28Å; D27-R29 WeakPolarHBondContact OD1-CB 3.19Å; D27-R29 WeakPolarHBondContact OD1-CG 3.36Å; D27-R29 IonicContact OD1-CZ 2.84Å; D27-R29 PolarHBondContact OD1-N 2.67Å; D27-R29 IonicContact OD1-NE 3.25Å; D27-R29 PolarHBondContact OD1-NE 2.73Å; D27-R29 IonicContact OD1-NH2 3.7Å; D27-R29 IonicContact OD2-CZ 2.67Å; D27-R29 VanDerWaalsContact OD2-CZ 3.27Å; D27-R29 IonicContact OD2-NE 2.79Å; D27-R29 PolarHBondContact OD2-NE 3.2Å; D27-R29 VanDerWaalsContact OD2-NE 3.09Å; D27-R29 IonicContact OD2-NH2 3.27Å; D27-R29 PolarHBondContact OD2-NH2 2.85Å
30	L	97.9	Very high	86.5	Confident	33 Å²	33	87.9 Å²	87.9	17%	0.173	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-94.6	-1.4	-179.8	-60.6	177.5	0	0	0	113.4	D27 S28 N32 H33 W34 W58 E59 L62	D27-L30 HydrophobicContact CB-CD1 4.03Å; D27-L30 HydrophobicContact CB-CG 4.17Å; D27-L30 WeakPolarHBondContact O-CB 3.45Å; D27-L30 PolarHBondContact O-N 3.48Å; S28-L30 PolarHBondContact O-N 3.29Å; L30-N32 PolarHBondContact O-N 3.46Å; L30-H33 CarbonylContact O-C 3.59Å; L30-H33 WeakPolarHBondContact O-CA 3.3Å; L30-H33 WeakPolarHBondContact O-CB 3.35Å; L30-H33 PolarHBondContact O-N 2.93Å; L30-W34 PolarHBondContact O-N 2.98Å; L30-W58 HydrophobicContact CB-CH2 4.37Å; L30-W58 HydrophobicContact CB-CZ3 3.97Å; L30-W58 HydrophobicContact CD1-CZ3 3.94Å; L30-W58 HydrophobicContact CG-CZ3 4.41Å; L30-E59 HydrophobicContact CD1-CG 3.87Å; L30-L62 HydrophobicContact CD1-CD2 3.83Å; L30-L62 HydrophobicContact CD2-CD2 4.04Å
31	D	97.8	Very high	88.6	Confident	67 Å²	67	84.1 Å²	84.1	36%	0.358	47%	0.468	S	S	.	.	H	α-helix	trans	-51	-53.6	-177.9	-70.6	-7.3	0	0	0	112.2	S28 H33 W34 E35 R55	S28-D31 WeakPolarHBondContact CA-OD1 3.19Å; S28-D31 WeakPolarHBondContact O-CB 3.4Å; S28-D31 PolarHBondContact O-N 3.24Å; D31-H33 VanDerWaalsContact C-N 3.29Å; D31-H33 PolarHBondContact O-N 3.02Å; D31-W34 WeakPolarHBondContact O-CB 3.43Å; D31-W34 PolarHBondContact O-N 3.12Å; D31-E35 PolarHBondContact O-N 3.31Å; D31-R55 IonicContact OD1-CZ 2.7Å; D31-R55 IonicContact OD1-NH1 3.77Å; D31-R55 PolarHBondContact OD1-NH1 3.24Å; D31-R55 IonicContact OD1-NH2 2.78Å; D31-R55 PolarHBondContact OD1-NH2 2.97Å
32	N	98.2	Very high	90.6	Very high	136 Å²	136	86.4 Å²	86.4	73%	0.727	48%	0.475	S	S	*	.	H	α-helix	trans	-65.5	-32.4	179.4	-70.2	-30.5	0	0	0	112.8	L30 L36	L30-N32 PolarHBondContact O-N 3.46Å; N32-L36 VanDerWaalsContact O-CB 3.28Å; N32-L36 WeakPolarHBondContact O-CB 3.4Å; N32-L36 PolarHBondContact O-N 2.78Å
33	H	98.4	Very high	92.7	Very high	111 Å²	111	84.1 Å²	84.1	51%	0.514	45%	0.447	S	S	.	.	H	α-helix	trans	-71.3	-38.8	178.2	-65.6	86.7	0	0	0	111	L30 D31 L36 W37 W58	L30-H33 CarbonylContact O-C 3.59Å; L30-H33 WeakPolarHBondContact O-CA 3.3Å; L30-H33 WeakPolarHBondContact O-CB 3.35Å; L30-H33 PolarHBondContact O-N 2.93Å; D31-H33 VanDerWaalsContact C-N 3.29Å; D31-H33 PolarHBondContact O-N 3.02Å; H33-L36 PolarHBondContact O-N 3.28Å; H33-W37 VanDerWaalsContact O-CB 3.26Å; H33-W37 WeakPolarHBondContact O-CB 3.2Å; H33-W37 PolarHBondContact O-N 2.98Å; H33-W58 HydrophobicContact CB-CH2 3.97Å; H33-W58 HydrophobicContact CB-CZ2 4.5Å
34	W	98.5	Very high	94.6	Very high	0 Å²	0	86.4 Å²	86.4	0%	0	45%	0.449	C	S	.	.	H	α-helix	trans	-61.8	-50.3	173.6	172.8	-122.3	0	0	0	111.4	L30 D31 L36 W37 K38 Y45 N51 R54 R55 W58 D88	L30-W34 PolarHBondContact O-N 2.98Å; D31-W34 WeakPolarHBondContact O-CB 3.43Å; D31-W34 PolarHBondContact O-N 3.12Å; W34-L36 VanDerWaalsContact C-N 3.34Å; W34-L36 PolarHBondContact O-N 3.1Å; W34-W37 AromaticContact CE3-CE3 3.73Å; W34-W37 HydrophobicContact CE3-CE3 3.73Å; W34-W37 HydrophobicContact CE3-CZ3 4.19Å; W34-W37 HydrophobicContact CH2-CE3 4.16Å; W34-W37 AromaticContact CH2-CZ3 3.79Å; W34-W37 HydrophobicContact CH2-CZ3 3.79Å; W34-W37 HydrophobicContact CZ3-CD2 4.38Å; W34-W37 AromaticContact CZ3-CE3 3.33Å; W34-W37 HydrophobicContact CZ3-CE3 3.33Å; W34-W37 HydrophobicContact CZ3-CH2 4.36Å; W34-W37 AromaticContact CZ3-CZ3 3.32Å; W34-W37 HydrophobicContact CZ3-CZ3 3.32Å; W34-W37 PolarHBondContact O-N 3.24Å; W34-K38 HydrophobicContact CD2-CD 4.21Å; W34-K38 HydrophobicContact CD2-CG 4.04Å; W34-K38 HydrophobicContact CE3-CG 4.25Å; W34-K38 HydrophobicContact CH2-CD 4.39Å; W34-K38 HydrophobicContact CH2-CG 4.12Å; W34-K38 HydrophobicContact CZ2-CD 3.71Å; W34-K38 HydrophobicContact CZ2-CG 3.91Å; W34-K38 HydrophobicContact CZ3-CG 4.27Å; W34-K38 WeakPolarHBondContact O-CG 3.45Å; W34-K38 PolarHBondContact O-N 3.18Å; W34-Y45 AromaticContact CH2-CE2 3.74Å; W34-Y45 HydrophobicContact CH2-CE2 3.74Å; W34-Y45 AromaticContact CH2-CZ 3.81Å; W34-Y45 WeakPolarHBondContact CH2-OH 3.36Å; W34-Y45 HydrophobicContact CZ2-CD2 4.36Å; W34-Y45 AromaticContact CZ2-CE2 3.46Å; W34-Y45 HydrophobicContact CZ2-CE2 3.46Å; W34-Y45 VanDerWaalsContact CZ2-CE2 3.46Å; W34-N51 PolarHBondContact NE1-OD1 2.95Å; W34-R54 HydrophobicContact CH2-CB 3.99Å; W34-R54 HydrophobicContact CZ2-CB 4.27Å; W34-R55 HydrophobicContact CD2-CB 4.08Å; W34-R55 HydrophobicContact CD2-CG 3.87Å; W34-R55 HydrophobicContact CE3-CG 4.36Å; W34-R55 HydrophobicContact CG-CG 3.99Å; W34-R55 HydrophobicContact CH2-CB 4.23Å; W34-R55 HydrophobicContact CZ2-CB 3.75Å; W34-R55 HydrophobicContact CZ2-CG 4.46Å; W34-W58 HydrophobicContact CE3-CB 4.03Å; W34-W58 AromaticContact CE3-CD2 3.82Å; W34-W58 HydrophobicContact CE3-CD2 3.82Å; W34-W58 HydrophobicContact CE3-CE3 4.18Å; W34-W58 AromaticContact CE3-CG 3.73Å; W34-W58 HydrophobicContact CE3-CG 3.73Å; W34-W58 HydrophobicContact CH2-CB 4.4Å; W34-W58 HydrophobicContact CZ3-CB 3.55Å; W34-W58 AromaticContact CZ3-CD1 3.87Å; W34-W58 HydrophobicContact CZ3-CD2 4.2Å; W34-W58 AromaticContact CZ3-CG 3.59Å; W34-W58 HydrophobicContact CZ3-CG 3.59Å; W34-D88 HydrophobicContact CH2-CB 4.3Å
35	E	98.3	Very high	96.2	Very high	97 Å²	97	83.8 Å²	83.8	45%	0.453	43%	0.429	S	S	.	.	H	α-helix	trans	-60.7	-42.4	177.2	-66.8	-51.1	130.8	0	0	112.2	D31 K38 K39	D31-E35 PolarHBondContact O-N 3.31Å; E35-K38 PolarHBondContact O-N 3.2Å; E35-K38 WeakPolarHBondContact OE1-CE 3.29Å; E35-K38 IonicContact OE1-NZ 2.65Å; E35-K38 PolarHBondContact OE1-NZ 3.42Å; E35-K38 WeakPolarHBondContact OE2-CE 3.25Å; E35-K38 IonicContact OE2-NZ 3.68Å; E35-K38 PolarHBondContact OE2-NZ 2.94Å; E35-K39 WeakPolarHBondContact O-CB 3.35Å; E35-K39 PolarHBondContact O-N 2.87Å
36	L	98.4	Very high	97	Very high	109 Å²	109	87.1 Å²	87.1	57%	0.571	43%	0.433	S	S	*	.	H	α-helix	trans	-64.4	-42.6	176.3	-178.1	61.9	0	0	0	111.9	N32 H33 W34 K39 T40	N32-L36 VanDerWaalsContact O-CB 3.28Å; N32-L36 WeakPolarHBondContact O-CB 3.4Å; N32-L36 PolarHBondContact O-N 2.78Å; H33-L36 PolarHBondContact O-N 3.28Å; W34-L36 VanDerWaalsContact C-N 3.34Å; W34-L36 PolarHBondContact O-N 3.1Å; L36-K39 PolarHBondContact O-N 2.77Å; L36-T40 WeakPolarHBondContact O-CB 3.44Å; L36-T40 PolarHBondContact O-N 3.38Å; L36-T40 PolarHBondContact O-OG1 2.91Å
37	W	98.5	Very high	97.2	Very high	16 Å²	16	89 Å²	89	6%	0.061	44%	0.443	C	S	.	.	H	α-helix	trans	-65	-43.6	178.6	176.7	91	0	0	0	111.4	H33 W34 K39 T40 H41 K43 W58 N84 D88	H33-W37 VanDerWaalsContact O-CB 3.26Å; H33-W37 WeakPolarHBondContact O-CB 3.2Å; H33-W37 PolarHBondContact O-N 2.98Å; W34-W37 AromaticContact CE3-CE3 3.73Å; W34-W37 HydrophobicContact CE3-CE3 3.73Å; W34-W37 HydrophobicContact CE3-CZ3 4.19Å; W34-W37 HydrophobicContact CH2-CE3 4.16Å; W34-W37 AromaticContact CH2-CZ3 3.79Å; W34-W37 HydrophobicContact CH2-CZ3 3.79Å; W34-W37 HydrophobicContact CZ3-CD2 4.38Å; W34-W37 AromaticContact CZ3-CE3 3.33Å; W34-W37 HydrophobicContact CZ3-CE3 3.33Å; W34-W37 HydrophobicContact CZ3-CH2 4.36Å; W34-W37 AromaticContact CZ3-CZ3 3.32Å; W34-W37 HydrophobicContact CZ3-CZ3 3.32Å; W34-W37 PolarHBondContact O-N 3.24Å; W37-K39 VanDerWaalsContact C-N 3.35Å; W37-K39 PolarHBondContact O-N 3.5Å; W37-T40 PolarHBondContact O-N 3.13Å; W37-H41 AromaticContact CD1-CE1 3.36Å; W37-H41 AromaticContact CD1-ND1 3.36Å; W37-H41 AromaticContact CD2-ND1 3.86Å; W37-H41 AromaticContact CE2-ND1 3.53Å; W37-H41 AromaticContact CG-ND1 3.75Å; W37-H41 AromaticContact NE1-CE1 3.25Å; W37-H41 PolarHBondContact NE1-CE1 2.95Å; W37-H41 AromaticContact NE1-ND1 3.22Å; W37-H41 PolarHBondContact NE1-ND1 3.29Å; W37-H41 PolarHBondContact O-N 3.43Å; W37-H41 PolarHBondContact O-ND1 3.39Å; W37-K43 HydrophobicContact CE3-CG 4.39Å; W37-K43 HydrophobicContact CH2-CD 3.92Å; W37-K43 HydrophobicContact CH2-CG 3.69Å; W37-K43 HydrophobicContact CZ3-CB 4.2Å; W37-K43 HydrophobicContact CZ3-CD 4.23Å; W37-K43 HydrophobicContact CZ3-CG 3.6Å; W37-W58 HydrophobicContact CB-CZ2 4.4Å; W37-W58 AromaticContact CD1-NE1 3.45Å; W37-W58 AromaticContact CD2-CD1 3.57Å; W37-W58 AromaticContact CD2-NE1 3.4Å; W37-W58 AromaticContact CE2-CD1 3.65Å; W37-W58 AromaticContact CE2-NE1 3.69Å; W37-W58 AromaticContact CE3-CD1 3.86Å; W37-W58 AromaticContact CG-CD1 4Å; W37-W58 AromaticContact CG-NE1 3.29Å; W37-W58 VanDerWaalsContact CG-NE1 3.29Å; W37-W58 AromaticContact NE1-NE1 3.66Å; W37-N84 WeakPolarHBondContact CZ2-O 3.42Å; W37-N84 PolarHBondContact NE1-O 2.82Å; W37-N84 VanDerWaalsContact NE1-O 3.07Å; W37-D88 HydrophobicContact CH2-CB 3.63Å; W37-D88 VanDerWaalsContact CH2-CG 3.45Å; W37-D88 HydrophobicContact CZ3-CB 4.03Å
38	K	98.5	Very high	97.3	Very high	27 Å²	27	93.1 Å²	93.1	12%	0.117	46%	0.461	C	S	.	.	H	α-helix	trans	-57.9	-48.3	174.8	-74.4	-172.1	-59	-179.9	0	110.9	W34 E35 T40 H41 S42 K43 Y45 N51	W34-K38 HydrophobicContact CD2-CD 4.21Å; W34-K38 HydrophobicContact CD2-CG 4.04Å; W34-K38 HydrophobicContact CE3-CG 4.25Å; W34-K38 HydrophobicContact CH2-CD 4.39Å; W34-K38 HydrophobicContact CH2-CG 4.12Å; W34-K38 HydrophobicContact CZ2-CD 3.71Å; W34-K38 HydrophobicContact CZ2-CG 3.91Å; W34-K38 HydrophobicContact CZ3-CG 4.27Å; W34-K38 WeakPolarHBondContact O-CG 3.45Å; W34-K38 PolarHBondContact O-N 3.18Å; E35-K38 PolarHBondContact O-N 3.2Å; E35-K38 WeakPolarHBondContact OE1-CE 3.29Å; E35-K38 IonicContact OE1-NZ 2.65Å; E35-K38 PolarHBondContact OE1-NZ 3.42Å; E35-K38 WeakPolarHBondContact OE2-CE 3.25Å; E35-K38 IonicContact OE2-NZ 3.68Å; E35-K38 PolarHBondContact OE2-NZ 2.94Å; K38-T40 VanDerWaalsContact C-N 3.34Å; K38-T40 PolarHBondContact O-N 3.16Å; K38-H41 CarbonylContact O-C 3.59Å; K38-H41 PolarHBondContact O-N 2.76Å; K38-S42 WeakPolarHBondContact O-CA 3.48Å; K38-S42 PolarHBondContact O-N 2.85Å; K38-K43 HydrophobicContact CB-CB 4.07Å; K38-K43 HydrophobicContact CG-CB 4.08Å; K38-K43 PolarHBondContact O-N 3.26Å; K38-Y45 HydrophobicContact CD-CD2 4.12Å; K38-Y45 HydrophobicContact CD-CE2 3.58Å; K38-Y45 HydrophobicContact CG-CE2 4.03Å; K38-N51 PolarHBondContact NZ-ND2 2.79Å
39	K	97.8	Very high	97.3	Very high	175 Å²	175	96.9 Å²	96.9	76%	0.761	47%	0.469	S	S	*	.	H	α-helix	trans	-62	-40.8	178.3	-174.5	177	179.9	178.7	0	112.5	E35 L36 W37 H41 S42	E35-K39 WeakPolarHBondContact O-CB 3.35Å; E35-K39 PolarHBondContact O-N 2.87Å; L36-K39 PolarHBondContact O-N 2.77Å; W37-K39 VanDerWaalsContact C-N 3.35Å; W37-K39 PolarHBondContact O-N 3.5Å; K39-H41 VanDerWaalsContact C-N 3.3Å; K39-H41 PolarHBondContact O-N 3.23Å; K39-S42 PolarHBondContact O-N 3.48Å
40	T	97.3	Very high	97.3	Very high	94 Å²	94	90 Å²	90	58%	0.577	45%	0.445	S	S	*	.	H	α-helix	trans	-64.5	-35.7	180	-59	0	0	0	0	112.2	L36 W37 K38	L36-T40 WeakPolarHBondContact O-CB 3.44Å; L36-T40 PolarHBondContact O-N 3.38Å; L36-T40 PolarHBondContact O-OG1 2.91Å; W37-T40 PolarHBondContact O-N 3.13Å; K38-T40 VanDerWaalsContact C-N 3.34Å; K38-T40 PolarHBondContact O-N 3.16Å
41	H	95.9	Very high	97.2	Very high	50 Å²	50	89.3 Å²	89.3	23%	0.231	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	13.4	-177.1	-58.5	95.3	0	0	0	113.5	W37 K38 K39 K43 F85	W37-H41 AromaticContact CD1-CE1 3.36Å; W37-H41 AromaticContact CD1-ND1 3.36Å; W37-H41 AromaticContact CD2-ND1 3.86Å; W37-H41 AromaticContact CE2-ND1 3.53Å; W37-H41 AromaticContact CG-ND1 3.75Å; W37-H41 AromaticContact NE1-CE1 3.25Å; W37-H41 PolarHBondContact NE1-CE1 2.95Å; W37-H41 AromaticContact NE1-ND1 3.22Å; W37-H41 PolarHBondContact NE1-ND1 3.29Å; W37-H41 PolarHBondContact O-N 3.43Å; W37-H41 PolarHBondContact O-ND1 3.39Å; K38-H41 CarbonylContact O-C 3.59Å; K38-H41 PolarHBondContact O-N 2.76Å; K39-H41 VanDerWaalsContact C-N 3.3Å; K39-H41 PolarHBondContact O-N 3.23Å; H41-K43 VanDerWaalsContact C-N 3.27Å; H41-K43 HydrophobicContact CB-CG 3.95Å; H41-K43 PolarHBondContact O-N 3.23Å; H41-F85 HydrophobicContact CB-CB 4.43Å; H41-F85 VanDerWaalsContact CD2-CA 3.46Å; H41-F85 WeakPolarHBondContact CD2-CA 3.41Å
42	S	96.3	Very high	97.2	Very high	104 Å²	104	88.8 Å²	88.8	73%	0.727	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	46.5	-178.2	-55.5	0	0	0	0	113.3	K38 K39	K38-S42 WeakPolarHBondContact O-CA 3.48Å; K38-S42 PolarHBondContact O-N 2.85Å; K39-S42 PolarHBondContact O-N 3.48Å
43	K	97.3	Very high	97.1	Very high	46 Å²	46	87.3 Å²	87.3	20%	0.2	43%	0.429	C	S	.	.			trans	-87.4	124.2	-179	-64.2	-78.9	-175.9	157.3	0	110.7	W37 K38 H41 Y45 F85 D88	W37-K43 HydrophobicContact CE3-CG 4.39Å; W37-K43 HydrophobicContact CH2-CD 3.92Å; W37-K43 HydrophobicContact CH2-CG 3.69Å; W37-K43 HydrophobicContact CZ3-CB 4.2Å; W37-K43 HydrophobicContact CZ3-CD 4.23Å; W37-K43 HydrophobicContact CZ3-CG 3.6Å; K38-K43 HydrophobicContact CB-CB 4.07Å; K38-K43 HydrophobicContact CG-CB 4.08Å; K38-K43 PolarHBondContact O-N 3.26Å; H41-K43 VanDerWaalsContact C-N 3.27Å; H41-K43 HydrophobicContact CB-CG 3.95Å; H41-K43 PolarHBondContact O-N 3.23Å; K43-Y45 HydrophobicContact CB-CE2 4.29Å; K43-F85 WeakPolarHBondContact CE-O 3.42Å; K43-F85 PolarHBondContact NZ-O 2.85Å; K43-D88 IonicContact NZ-OD1 3.65Å; K43-D88 PolarHBondContact NZ-OD1 2.87Å; K43-D88 IonicContact NZ-OD2 3.08Å; K43-D88 PolarHBondContact NZ-OD2 2.81Å
44	E	96.4	Very high	97.1	Very high	182 Å²	182	83.8 Å²	83.8	85%	0.85	41%	0.411	S	S	*	.			trans	-127.2	142.7	175.1	-64	-176.7	176.3	0	0	108.6
45	Y	97.3	Very high	97.1	Very high	39 Å²	39	84.9 Å²	84.9	15%	0.153	42%	0.416	C	S	.	.			trans	-128.7	145.7	-177.6	-54.2	-63.4	0	0	0	109.3	W34 K38 K43 N47 E50 N51 R54 D88	W34-Y45 AromaticContact CH2-CE2 3.74Å; W34-Y45 HydrophobicContact CH2-CE2 3.74Å; W34-Y45 AromaticContact CH2-CZ 3.81Å; W34-Y45 WeakPolarHBondContact CH2-OH 3.36Å; W34-Y45 HydrophobicContact CZ2-CD2 4.36Å; W34-Y45 AromaticContact CZ2-CE2 3.46Å; W34-Y45 HydrophobicContact CZ2-CE2 3.46Å; W34-Y45 VanDerWaalsContact CZ2-CE2 3.46Å; K38-Y45 HydrophobicContact CD-CD2 4.12Å; K38-Y45 HydrophobicContact CD-CE2 3.58Å; K38-Y45 HydrophobicContact CG-CE2 4.03Å; K43-Y45 HydrophobicContact CB-CE2 4.29Å; Y45-N47 VanDerWaalsContact C-N 3.3Å; Y45-N47 PolarHBondContact O-N 3.35Å; Y45-E50 HydrophobicContact CD1-CG 4.03Å; Y45-E50 HydrophobicContact CG-CG 4.34Å; Y45-N51 HydrophobicContact CD2-CB 4.27Å; Y45-N51 VanDerWaalsContact CD2-ND2 3.29Å; Y45-N51 WeakPolarHBondContact CD2-ND2 3.42Å; Y45-R54 HydrophobicContact CD1-CB 4.26Å; Y45-R54 HydrophobicContact CD1-CG 3.69Å; Y45-R54 HydrophobicContact CE1-CB 3.72Å; Y45-R54 HydrophobicContact CE1-CG 3.38Å; Y45-R54 HydrophobicContact CE2-CB 4.17Å; Y45-R54 HydrophobicContact CG-CG 4.45Å; Y45-D88 WeakPolarHBondContact CE1-OD2 3.42Å; Y45-D88 PolarHBondContact OH-OD2 2.86Å
46	Q	95.9	Very high	97	Very high	178 Å²	178	82.2 Å²	82.2	83%	0.832	41%	0.406	S	S	*	.	S	Bend	trans	-68.5	-31.6	-169.9	-63.2	-176.7	-2.3	0	0	112.6	E50	Q46-E50 WeakPolarHBondContact CB-OE2 3.28Å; Q46-E50 WeakPolarHBondContact CG-OE2 3.5Å; Q46-E50 PolarHBondContact N-OE2 3.34Å
47	N	96.6	Very high	97	Very high	80 Å²	80	78.1 Å²	78.1	43%	0.428	38%	0.384	S	S	.	.	S	Bend	trans	-155.8	172.4	-176.9	57.4	56.3	0	0	0	111	Y45 E49 E50 N51	Y45-N47 VanDerWaalsContact C-N 3.3Å; Y45-N47 PolarHBondContact O-N 3.35Å; N47-E49 VanDerWaalsContact C-N 3.31Å; N47-E49 PolarHBondContact O-N 2.82Å; N47-E49 WeakPolarHBondContact OD1-CB 3.46Å; N47-E49 PolarHBondContact OD1-N 2.98Å; N47-E50 PolarHBondContact O-N 2.86Å; N47-E50 PolarHBondContact OD1-N 3.08Å; N47-N51 PolarHBondContact O-N 3.03Å
48	E	95.3	Very high	97	Very high	130 Å²	130	77.8 Å²	77.8	61%	0.607	38%	0.383	S	S	*	.	H	α-helix	trans	-66.8	-31.2	-178.4	-171.8	57.2	-155.2	0	0	112.8	N51 V52	E48-N51 WeakPolarHBondContact O-CB 3.19Å; E48-N51 PolarHBondContact O-N 3.21Å; E48-V52 HydrophobicContact CG-CG2 4.36Å; E48-V52 WeakPolarHBondContact O-CB 3.3Å; E48-V52 VanDerWaalsContact O-CG2 3.32Å; E48-V52 WeakPolarHBondContact O-CG2 3.49Å; E48-V52 PolarHBondContact O-N 2.79Å
49	E	95.7	Very high	97	Very high	164 Å²	164	78 Å²	78	77%	0.766	39%	0.385	S	S	*	.	H	α-helix	trans	-63	-46.6	176.3	-176.3	-178	175.9	0	0	111	N47 V52 H53	N47-E49 VanDerWaalsContact C-N 3.31Å; N47-E49 PolarHBondContact O-N 2.82Å; N47-E49 WeakPolarHBondContact OD1-CB 3.46Å; N47-E49 PolarHBondContact OD1-N 2.98Å; E49-V52 PolarHBondContact O-N 3.33Å; E49-H53 WeakPolarHBondContact O-CB 3.47Å; E49-H53 PolarHBondContact O-N 3.43Å
50	E	96.4	Very high	97	Very high	52 Å²	52	75.9 Å²	75.9	24%	0.243	38%	0.375	C	S	.	.	H	α-helix	trans	-62.3	-42.5	172.6	-173.6	-176.7	-173.6	0	0	111	Y45 Q46 N47 V52 H53 R54	Y45-E50 HydrophobicContact CD1-CG 4.03Å; Y45-E50 HydrophobicContact CG-CG 4.34Å; Q46-E50 WeakPolarHBondContact CB-OE2 3.28Å; Q46-E50 WeakPolarHBondContact CG-OE2 3.5Å; Q46-E50 PolarHBondContact N-OE2 3.34Å; N47-E50 PolarHBondContact O-N 2.86Å; N47-E50 PolarHBondContact OD1-N 3.08Å; E50-V52 PolarHBondContact O-N 3.27Å; E50-H53 PolarHBondContact O-N 3.29Å; E50-R54 HydrophobicContact CG-CG 4Å; E50-R54 VanDerWaalsContact O-CB 3.29Å; E50-R54 WeakPolarHBondContact O-CB 3.22Å; E50-R54 WeakPolarHBondContact O-CG 3.46Å; E50-R54 PolarHBondContact O-N 2.68Å; E50-R54 IonicContact OE1-NE 2.84Å
51	N	96.7	Very high	97.1	Very high	19 Å²	19	72 Å²	72	10%	0.102	35%	0.351	C	S	.	.	H	α-helix	trans	-56.7	-50.4	177.7	-166.7	-75.7	0	0	0	111.8	W34 K38 Y45 N47 E48 H53 R54 R55	W34-N51 PolarHBondContact NE1-OD1 2.95Å; K38-N51 PolarHBondContact NZ-ND2 2.79Å; Y45-N51 HydrophobicContact CD2-CB 4.27Å; Y45-N51 VanDerWaalsContact CD2-ND2 3.29Å; Y45-N51 WeakPolarHBondContact CD2-ND2 3.42Å; N47-N51 PolarHBondContact O-N 3.03Å; E48-N51 WeakPolarHBondContact O-CB 3.19Å; E48-N51 PolarHBondContact O-N 3.21Å; N51-H53 VanDerWaalsContact C-N 3.35Å; N51-H53 PolarHBondContact O-N 2.98Å; N51-R54 PolarHBondContact O-N 2.99Å; N51-R55 VanDerWaalsContact O-CB 3.27Å; N51-R55 WeakPolarHBondContact O-CB 3.43Å; N51-R55 PolarHBondContact O-N 3.33Å
52	V	96.6	Very high	97.2	Very high	56 Å²	56	71.6 Å²	71.6	34%	0.339	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-41.6	179.5	168.1	0	0	0	0	111.1	L26 E48 E49 E50 T56	L26-V52 HydrophobicContact CD1-CG1 4.05Å; L26-V52 HydrophobicContact CD1-CG2 4.37Å; E48-V52 HydrophobicContact CG-CG2 4.36Å; E48-V52 WeakPolarHBondContact O-CB 3.3Å; E48-V52 VanDerWaalsContact O-CG2 3.32Å; E48-V52 WeakPolarHBondContact O-CG2 3.49Å; E48-V52 PolarHBondContact O-N 2.79Å; E49-V52 PolarHBondContact O-N 3.33Å; E50-V52 PolarHBondContact O-N 3.27Å; V52-T56 WeakPolarHBondContact O-CB 3.5Å; V52-T56 PolarHBondContact O-N 3.15Å; V52-T56 PolarHBondContact O-OG1 3.07Å
53	H	96.8	Very high	97.3	Very high	104 Å²	104	72.9 Å²	72.9	48%	0.481	35%	0.346	S	S	.	.	H	α-helix	trans	-62.1	-49	176	179.2	68.3	0	0	0	111.9	E49 E50 N51 R55 T56 L57	E49-H53 WeakPolarHBondContact O-CB 3.47Å; E49-H53 PolarHBondContact O-N 3.43Å; E50-H53 PolarHBondContact O-N 3.29Å; N51-H53 VanDerWaalsContact C-N 3.35Å; N51-H53 PolarHBondContact O-N 2.98Å; H53-R55 VanDerWaalsContact C-N 3.34Å; H53-R55 PolarHBondContact O-N 2.85Å; H53-T56 VanDerWaalsContact O-CB 3.31Å; H53-T56 WeakPolarHBondContact O-CB 3.39Å; H53-T56 PolarHBondContact O-N 2.65Å; H53-T56 VanDerWaalsContact O-N 3.14Å; H53-L57 PolarHBondContact O-N 2.91Å; H53-L57 VanDerWaalsContact O-N 3.14Å
54	R	98.1	Very high	97.3	Very high	37 Å²	37	73.1 Å²	73.1	14%	0.14	35%	0.35	C	S	.	.	H	α-helix	trans	-63.5	-40.8	179.6	-70	-77.3	-179.2	-149.4	-2.4	111.9	W34 Y45 E50 N51 T56 L57 W58 D88 E93	W34-R54 HydrophobicContact CH2-CB 3.99Å; W34-R54 HydrophobicContact CZ2-CB 4.27Å; Y45-R54 HydrophobicContact CD1-CB 4.26Å; Y45-R54 HydrophobicContact CD1-CG 3.69Å; Y45-R54 HydrophobicContact CE1-CB 3.72Å; Y45-R54 HydrophobicContact CE1-CG 3.38Å; Y45-R54 HydrophobicContact CE2-CB 4.17Å; Y45-R54 HydrophobicContact CG-CG 4.45Å; E50-R54 HydrophobicContact CG-CG 4Å; E50-R54 VanDerWaalsContact O-CB 3.29Å; E50-R54 WeakPolarHBondContact O-CB 3.22Å; E50-R54 WeakPolarHBondContact O-CG 3.46Å; E50-R54 PolarHBondContact O-N 2.68Å; E50-R54 IonicContact OE1-NE 2.84Å; N51-R54 PolarHBondContact O-N 2.99Å; R54-T56 VanDerWaalsContact C-N 3.33Å; R54-T56 PolarHBondContact O-N 2.88Å; R54-L57 PolarHBondContact O-N 3.13Å; R54-W58 WeakPolarHBondContact O-CB 3.46Å; R54-W58 PolarHBondContact O-N 2.81Å; R54-D88 HydrophobicContact CB-CB 4.09Å; R54-D88 WeakPolarHBondContact CD-O 3.19Å; R54-D88 PolarHBondContact NH1-O 2.76Å; R54-E93 IonicContact CZ-OE1 2.75Å; R54-E93 VanDerWaalsContact NH1-CD 3.27Å; R54-E93 IonicContact NH1-OE1 2.88Å; R54-E93 PolarHBondContact NH1-OE1 3.06Å; R54-E93 IonicContact NH1-OE2 2.69Å; R54-E93 PolarHBondContact NH1-OE2 2.74Å; R54-E93 IonicContact NH2-OE1 3.86Å; R54-E93 PolarHBondContact NH2-OE1 2.96Å
55	R	98.3	Very high	97.4	Very high	24 Å²	24	64.9 Å²	64.9	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-40	173.3	-172.7	177.2	161.3	166	5.2	112.1	L26 D27 D31 W34 N51 H53 L57 W58 E59	L26-R55 HydrophobicContact CD1-CG 4.36Å; L26-R55 HydrophobicContact CD2-CB 4.31Å; L26-R55 HydrophobicContact CD2-CG 3.94Å; D27-R55 PolarHBondContact O-NH2 3.08Å; D31-R55 IonicContact OD1-CZ 2.7Å; D31-R55 IonicContact OD1-NH1 3.77Å; D31-R55 PolarHBondContact OD1-NH1 3.24Å; D31-R55 IonicContact OD1-NH2 2.78Å; D31-R55 PolarHBondContact OD1-NH2 2.97Å; W34-R55 HydrophobicContact CD2-CB 4.08Å; W34-R55 HydrophobicContact CD2-CG 3.87Å; W34-R55 HydrophobicContact CE3-CG 4.36Å; W34-R55 HydrophobicContact CG-CG 3.99Å; W34-R55 HydrophobicContact CH2-CB 4.23Å; W34-R55 HydrophobicContact CZ2-CB 3.75Å; W34-R55 HydrophobicContact CZ2-CG 4.46Å; N51-R55 VanDerWaalsContact O-CB 3.27Å; N51-R55 WeakPolarHBondContact O-CB 3.43Å; N51-R55 PolarHBondContact O-N 3.33Å; H53-R55 VanDerWaalsContact C-N 3.34Å; H53-R55 PolarHBondContact O-N 2.85Å; R55-L57 VanDerWaalsContact C-N 3.33Å; R55-L57 PolarHBondContact O-N 3.1Å; R55-W58 WeakPolarHBondContact O-CB 3.32Å; R55-W58 PolarHBondContact O-N 3.46Å; R55-E59 HydrophobicContact CG-CG 4.46Å; R55-E59 IonicContact CZ-OE1 2.93Å; R55-E59 IonicContact NE-OE1 3.87Å; R55-E59 PolarHBondContact NE-OE1 3.07Å; R55-E59 IonicContact NH2-OE1 3.72Å; R55-E59 PolarHBondContact NH2-OE1 3.4Å; R55-E59 VanDerWaalsContact NH2-OE1 3.15Å; R55-E59 PolarHBondContact O-N 3.29Å
56	T	97.8	Very high	97.5	Very high	40 Å²	40	67.1 Å²	67.1	25%	0.245	33%	0.329	C	S	.	.	H	α-helix	trans	-59.8	-44	176.1	-60.9	0	0	0	0	111.4	V24 V52 H53 R54 K60	V24-T56 HydrophobicContact CG1-CG2 3.78Å; V52-T56 WeakPolarHBondContact O-CB 3.5Å; V52-T56 PolarHBondContact O-N 3.15Å; V52-T56 PolarHBondContact O-OG1 3.07Å; H53-T56 VanDerWaalsContact O-CB 3.31Å; H53-T56 WeakPolarHBondContact O-CB 3.39Å; H53-T56 PolarHBondContact O-N 2.65Å; H53-T56 VanDerWaalsContact O-N 3.14Å; R54-T56 VanDerWaalsContact C-N 3.33Å; R54-T56 PolarHBondContact O-N 2.88Å; T56-K60 WeakPolarHBondContact O-CB 3.17Å; T56-K60 PolarHBondContact O-N 3.39Å; T56-K60 VanDerWaalsContact O-N 3.1Å
57	L	98	Very high	97.6	Very high	23 Å²	23	65 Å²	65	12%	0.12	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-42.9	175	-66.8	173.9	0	0	0	111.4	H53 R54 R55 K60 N61 D88	H53-L57 PolarHBondContact O-N 2.91Å; H53-L57 VanDerWaalsContact O-N 3.14Å; R54-L57 PolarHBondContact O-N 3.13Å; R55-L57 VanDerWaalsContact C-N 3.33Å; R55-L57 PolarHBondContact O-N 3.1Å; L57-K60 WeakPolarHBondContact O-CB 3.04Å; L57-K60 PolarHBondContact O-N 2.91Å; L57-N61 WeakPolarHBondContact O-CB 3.43Å; L57-N61 PolarHBondContact O-N 2.84Å; L57-N61 PolarHBondContact O-ND2 2.75Å; L57-D88 VanDerWaalsContact CD1-O 3.28Å; L57-D88 WeakPolarHBondContact CD1-O 3.45Å
58	W	98.6	Very high	97.7	Very high	10 Å²	10	61.3 Å²	61.3	4%	0.038	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-46.4	177.2	-179.4	93.5	0	0	0	113.2	L30 H33 W34 W37 R54 R55 K60 N61 L62 M83 G87	L30-W58 HydrophobicContact CB-CH2 4.37Å; L30-W58 HydrophobicContact CB-CZ3 3.97Å; L30-W58 HydrophobicContact CD1-CZ3 3.94Å; L30-W58 HydrophobicContact CG-CZ3 4.41Å; H33-W58 HydrophobicContact CB-CH2 3.97Å; H33-W58 HydrophobicContact CB-CZ2 4.5Å; W34-W58 HydrophobicContact CE3-CB 4.03Å; W34-W58 AromaticContact CE3-CD2 3.82Å; W34-W58 HydrophobicContact CE3-CD2 3.82Å; W34-W58 HydrophobicContact CE3-CE3 4.18Å; W34-W58 AromaticContact CE3-CG 3.73Å; W34-W58 HydrophobicContact CE3-CG 3.73Å; W34-W58 HydrophobicContact CH2-CB 4.4Å; W34-W58 HydrophobicContact CZ3-CB 3.55Å; W34-W58 AromaticContact CZ3-CD1 3.87Å; W34-W58 HydrophobicContact CZ3-CD2 4.2Å; W34-W58 AromaticContact CZ3-CG 3.59Å; W34-W58 HydrophobicContact CZ3-CG 3.59Å; W37-W58 HydrophobicContact CB-CZ2 4.4Å; W37-W58 AromaticContact CD1-NE1 3.45Å; W37-W58 AromaticContact CD2-CD1 3.57Å; W37-W58 AromaticContact CD2-NE1 3.4Å; W37-W58 AromaticContact CE2-CD1 3.65Å; W37-W58 AromaticContact CE2-NE1 3.69Å; W37-W58 AromaticContact CE3-CD1 3.86Å; W37-W58 AromaticContact CG-CD1 4Å; W37-W58 AromaticContact CG-NE1 3.29Å; W37-W58 VanDerWaalsContact CG-NE1 3.29Å; W37-W58 AromaticContact NE1-NE1 3.66Å; R54-W58 WeakPolarHBondContact O-CB 3.46Å; R54-W58 PolarHBondContact O-N 2.81Å; R55-W58 WeakPolarHBondContact O-CB 3.32Å; R55-W58 PolarHBondContact O-N 3.46Å; W58-K60 VanDerWaalsContact C-N 3.34Å; W58-K60 PolarHBondContact O-N 2.95Å; W58-N61 PolarHBondContact O-N 2.99Å; W58-L62 HydrophobicContact CH2-CD2 3.75Å; W58-L62 HydrophobicContact CZ2-CD2 4.35Å; W58-L62 HydrophobicContact CZ3-CD2 3.97Å; W58-L62 WeakPolarHBondContact O-CB 3.46Å; W58-L62 PolarHBondContact O-N 2.73Å; W58-M83 HydrophobicContact CD2-CE 4.43Å; W58-M83 HydrophobicContact CG-CE 4.25Å; W58-M83 WeakPolarHBondContact O-CE 3.38Å; W58-G87 WeakPolarHBondContact CA-O 3.36Å; W58-G87 PolarHBondContact N-O 2.91Å
59	E	98.4	Very high	97.9	Very high	31 Å²	31	57.4 Å²	57.4	15%	0.145	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-38.5	177	-68.7	-171.6	-163.7	0	0	111.5	D27 L30 R55 L62 M63	D27-E59 PolarHBondContact N-OE1 3.31Å; D27-E59 PolarHBondContact N-OE2 3.24Å; L30-E59 HydrophobicContact CD1-CG 3.87Å; R55-E59 HydrophobicContact CG-CG 4.46Å; R55-E59 IonicContact CZ-OE1 2.93Å; R55-E59 IonicContact NE-OE1 3.87Å; R55-E59 PolarHBondContact NE-OE1 3.07Å; R55-E59 IonicContact NH2-OE1 3.72Å; R55-E59 PolarHBondContact NH2-OE1 3.4Å; R55-E59 VanDerWaalsContact NH2-OE1 3.15Å; R55-E59 PolarHBondContact O-N 3.29Å; E59-L62 PolarHBondContact O-N 2.94Å; E59-M63 PolarHBondContact O-N 3.44Å
60	K	97.8	Very high	98	Very high	130 Å²	130	54.8 Å²	54.8	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-62.2	-44.8	174.7	-179	-179.8	176.4	-176.2	0	111.9	T56 L57 W58 M63 L64	T56-K60 WeakPolarHBondContact O-CB 3.17Å; T56-K60 PolarHBondContact O-N 3.39Å; T56-K60 VanDerWaalsContact O-N 3.1Å; L57-K60 WeakPolarHBondContact O-CB 3.04Å; L57-K60 PolarHBondContact O-N 2.91Å; W58-K60 VanDerWaalsContact C-N 3.34Å; W58-K60 PolarHBondContact O-N 2.95Å; K60-M63 PolarHBondContact O-N 2.83Å; K60-L64 PolarHBondContact O-N 2.87Å; K60-L64 VanDerWaalsContact O-N 3.12Å
61	N	98.4	Very high	98.1	Very high	13 Å²	13	54.9 Å²	54.9	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-68.9	-36.9	177.7	-73.7	-31.5	0	0	0	111.4	L57 W58 M63 L64 I65 M83 G87 L89 F267	L57-N61 WeakPolarHBondContact O-CB 3.43Å; L57-N61 PolarHBondContact O-N 2.84Å; L57-N61 PolarHBondContact O-ND2 2.75Å; W58-N61 PolarHBondContact O-N 2.99Å; N61-M63 VanDerWaalsContact C-N 3.32Å; N61-M63 PolarHBondContact O-N 2.85Å; N61-L64 WeakPolarHBondContact O-CB 3.38Å; N61-L64 PolarHBondContact O-N 3.41Å; N61-I65 WeakPolarHBondContact O-CD1 3.21Å; N61-I65 VanDerWaalsContact O-CG1 3.3Å; N61-I65 WeakPolarHBondContact O-CG1 3.47Å; N61-I65 PolarHBondContact O-N 2.93Å; N61-M83 HydrophobicContact CB-CE 4.12Å; N61-G87 PolarHBondContact ND2-O 3.44Å; N61-L89 PolarHBondContact ND2-O 2.91Å; N61-L89 VanDerWaalsContact ND2-O 3.14Å; N61-F267 HydrophobicContact CB-CE1 4.48Å; N61-F267 HydrophobicContact CB-CE2 3.83Å; N61-F267 HydrophobicContact CB-CZ 3.68Å; N61-F267 VanDerWaalsContact CG-CZ 3.49Å
62	L	98.5	Very high	98.2	Very high	41 Å²	41	55 Å²	55	22%	0.215	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-41.8	173.4	-178.6	63.7	0	0	0	111.7	L30 W58 E59 I65 T66 M83	L30-L62 HydrophobicContact CD1-CD2 3.83Å; L30-L62 HydrophobicContact CD2-CD2 4.04Å; W58-L62 HydrophobicContact CH2-CD2 3.75Å; W58-L62 HydrophobicContact CZ2-CD2 4.35Å; W58-L62 HydrophobicContact CZ3-CD2 3.97Å; W58-L62 WeakPolarHBondContact O-CB 3.46Å; W58-L62 PolarHBondContact O-N 2.73Å; E59-L62 PolarHBondContact O-N 2.94Å; L62-I65 PolarHBondContact O-N 2.57Å; L62-T66 WeakPolarHBondContact O-CB 3.37Å; L62-T66 PolarHBondContact O-N 2.84Å; L62-T66 PolarHBondContact O-OG1 3.16Å; L62-M83 HydrophobicContact CB-CE 3.79Å; L62-M83 HydrophobicContact CD1-CE 4.4Å
63	M	98.2	Very high	98.3	Very high	131 Å²	131	56.7 Å²	56.7	65%	0.645	29%	0.29	S	S	*	.	H	α-helix	trans	-64.3	-41.7	175.5	-176	-179.5	63	0	0	111.8	E59 K60 N61 I65 T66 K67	E59-M63 PolarHBondContact O-N 3.44Å; K60-M63 PolarHBondContact O-N 2.83Å; N61-M63 VanDerWaalsContact C-N 3.32Å; N61-M63 PolarHBondContact O-N 2.85Å; M63-I65 PolarHBondContact O-N 3.48Å; M63-T66 PolarHBondContact O-N 2.94Å; M63-K67 WeakPolarHBondContact O-CB 2.87Å; M63-K67 PolarHBondContact O-N 2.93Å
64	L	98.1	Very high	98.3	Very high	52 Å²	52	57.7 Å²	57.7	27%	0.272	30%	0.296	S	S	.	.	H	α-helix	trans	-57.9	-48.2	174.5	176.8	148.1	0	0	0	111.2	K60 N61 H68 L81 P263 F267	K60-L64 PolarHBondContact O-N 2.87Å; K60-L64 VanDerWaalsContact O-N 3.12Å; N61-L64 WeakPolarHBondContact O-CB 3.38Å; N61-L64 PolarHBondContact O-N 3.41Å; L64-H68 WeakPolarHBondContact O-CB 3.33Å; L64-H68 PolarHBondContact O-N 3.39Å; L64-L81 HydrophobicContact CD2-CD1 3.62Å; L64-P263 HydrophobicContact CD1-CB 3.78Å; L64-P263 HydrophobicContact CD1-CG 4.45Å; L64-F267 HydrophobicContact CD2-CD2 4.3Å
65	I	98.8	Very high	98.3	Very high	9 Å²	9	58.9 Å²	58.9	5%	0.046	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-47.9	178.7	-69.4	158.4	0	0	0	110.6	N61 L62 M63 K67 H68 N69 L81 M83 F267	N61-I65 WeakPolarHBondContact O-CD1 3.21Å; N61-I65 VanDerWaalsContact O-CG1 3.3Å; N61-I65 WeakPolarHBondContact O-CG1 3.47Å; N61-I65 PolarHBondContact O-N 2.93Å; L62-I65 PolarHBondContact O-N 2.57Å; M63-I65 PolarHBondContact O-N 3.48Å; I65-K67 PolarHBondContact O-N 2.93Å; I65-H68 PolarHBondContact O-N 3.13Å; I65-N69 WeakPolarHBondContact O-CB 3.48Å; I65-N69 VanDerWaalsContact O-CG 3.3Å; I65-N69 PolarHBondContact O-N 3.32Å; I65-L81 HydrophobicContact CB-CB 4.32Å; I65-L81 HydrophobicContact CG1-CB 3.97Å; I65-L81 HydrophobicContact CG1-CD1 4.43Å; I65-L81 HydrophobicContact CG2-CB 4.02Å; I65-M83 HydrophobicContact CD1-CB 4.13Å; I65-M83 HydrophobicContact CD1-CE 3.82Å; I65-M83 HydrophobicContact CD1-SD 4.24Å; I65-F267 HydrophobicContact CD1-CB 4.19Å; I65-F267 HydrophobicContact CD1-CD1 3.95Å; I65-F267 HydrophobicContact CD1-CD2 4.45Å; I65-F267 HydrophobicContact CD1-CG 3.93Å; I65-F267 HydrophobicContact CG1-CB 4.06Å; I65-F267 HydrophobicContact CG1-CD2 4.48Å; I65-F267 HydrophobicContact CG1-CG 4.15Å
66	T	98.5	Very high	98.3	Very high	86 Å²	86	64.5 Å²	64.5	53%	0.528	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-46.4	-177.9	-58.4	0	0	0	0	111.2	L62 M63 N69 L70	L62-T66 WeakPolarHBondContact O-CB 3.37Å; L62-T66 PolarHBondContact O-N 2.84Å; L62-T66 PolarHBondContact O-OG1 3.16Å; M63-T66 PolarHBondContact O-N 2.94Å; T66-N69 PolarHBondContact O-N 2.85Å; T66-L70 PolarHBondContact O-N 2.62Å; T66-L70 VanDerWaalsContact O-N 3.08Å
67	K	98.6	Very high	98.3	Very high	132 Å²	132	64.6 Å²	64.6	57%	0.574	34%	0.344	S	S	*	.	H	α-helix	trans	-63.9	-47.1	178	-177.5	-179.3	174.4	-176.1	0	111.6	M63 I65 N69 L70 E71	M63-K67 WeakPolarHBondContact O-CB 2.87Å; M63-K67 PolarHBondContact O-N 2.93Å; I65-K67 PolarHBondContact O-N 2.93Å; K67-N69 VanDerWaalsContact C-N 3.34Å; K67-N69 PolarHBondContact O-N 3.04Å; K67-L70 WeakPolarHBondContact O-CB 3.06Å; K67-L70 PolarHBondContact O-N 3.25Å; K67-E71 WeakPolarHBondContact CE-OE1 3.4Å; K67-E71 WeakPolarHBondContact O-CG 3.42Å; K67-E71 PolarHBondContact O-N 3.46Å; K67-E71 VanDerWaalsContact O-N 3.09Å
68	H	98.7	Very high	98.3	Very high	4 Å²	4	66 Å²	66	2%	0.019	35%	0.353	C	S	.	.	H	α-helix	trans	-59.4	-45.4	178.6	176	-83.7	0	0	0	111.9	L64 I65 L70 E71 A72 H77 Y79 L81	L64-H68 WeakPolarHBondContact O-CB 3.33Å; L64-H68 PolarHBondContact O-N 3.39Å; I65-H68 PolarHBondContact O-N 3.13Å; H68-L70 VanDerWaalsContact C-N 3.29Å; H68-L70 PolarHBondContact O-N 2.85Å; H68-E71 CarbonylContact O-C 3.59Å; H68-E71 WeakPolarHBondContact O-CB 3.23Å; H68-E71 PolarHBondContact O-N 2.6Å; H68-E71 VanDerWaalsContact O-N 3.12Å; H68-A72 PolarHBondContact O-N 2.94Å; H68-H77 AromaticContact CD2-CD2 3.64Å; H68-H77 AromaticContact CD2-NE2 3.82Å; H68-H77 AromaticContact NE2-CD2 3.63Å; H68-H77 AromaticContact NE2-CG 3.56Å; H68-Y79 AromaticContact CE1-CD2 3.76Å; H68-Y79 AromaticContact CE1-CE2 3.58Å; H68-Y79 AromaticContact CE1-CZ 3.92Å; H68-Y79 PolarHBondContact CE1-O 3.05Å; H68-Y79 VanDerWaalsContact CE1-O 3.22Å; H68-Y79 AromaticContact NE2-CD2 3.96Å; H68-Y79 AromaticContact NE2-CE1 3.84Å; H68-Y79 AromaticContact NE2-CE2 3.35Å; H68-Y79 WeakPolarHBondContact NE2-CE2 3.42Å; H68-Y79 AromaticContact NE2-CZ 3.27Å; H68-Y79 VanDerWaalsContact NE2-CZ 3.27Å; H68-Y79 PolarHBondContact NE2-OH 3.44Å; H68-L81 HydrophobicContact CB-CD1 3.67Å; H68-L81 HydrophobicContact CB-CG 4.29Å; H68-L81 WeakPolarHBondContact ND1-CG 3.3Å
69	N	98.8	Very high	98.3	Very high	48 Å²	48	65.8 Å²	65.8	26%	0.257	35%	0.352	S	S	.	.	H	α-helix	trans	-70.3	-28.2	-177.6	-69.5	-2.8	0	0	0	112.4	I65 T66 K67 A72 S73 L81	I65-N69 WeakPolarHBondContact O-CB 3.48Å; I65-N69 VanDerWaalsContact O-CG 3.3Å; I65-N69 PolarHBondContact O-N 3.32Å; T66-N69 PolarHBondContact O-N 2.85Å; K67-N69 VanDerWaalsContact C-N 3.34Å; K67-N69 PolarHBondContact O-N 3.04Å; N69-A72 PolarHBondContact O-N 3.24Å; N69-S73 WeakPolarHBondContact O-CB 3.44Å; N69-S73 PolarHBondContact O-N 3.16Å; N69-L81 PolarHBondContact ND2-O 2.94Å; N69-L81 PolarHBondContact OD1-N 2.97Å
70	L	98.7	Very high	98.3	Very high	109 Å²	109	65.8 Å²	65.8	57%	0.571	35%	0.353	S	S	*	.	H	α-helix	trans	-62.7	-47.9	167.6	178.8	62.9	0	0	0	110.8	T66 K67 H68 A72 S73 M74	T66-L70 PolarHBondContact O-N 2.62Å; T66-L70 VanDerWaalsContact O-N 3.08Å; K67-L70 WeakPolarHBondContact O-CB 3.06Å; K67-L70 PolarHBondContact O-N 3.25Å; H68-L70 VanDerWaalsContact C-N 3.29Å; H68-L70 PolarHBondContact O-N 2.85Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 3.15Å; L70-S73 PolarHBondContact O-N 3.48Å; L70-S73 PolarHBondContact O-OG 3.39Å; L70-M74 WeakPolarHBondContact O-CG 3.5Å; L70-M74 PolarHBondContact O-N 2.98Å
71	E	98.6	Very high	98.3	Very high	53 Å²	53	59.7 Å²	59.7	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-41.3	175.8	-67.9	168.8	-179.2	0	0	111.7	K67 H68 S73 M74 G75 F76 H77	K67-E71 WeakPolarHBondContact CE-OE1 3.4Å; K67-E71 WeakPolarHBondContact O-CG 3.42Å; K67-E71 PolarHBondContact O-N 3.46Å; K67-E71 VanDerWaalsContact O-N 3.09Å; H68-E71 CarbonylContact O-C 3.59Å; H68-E71 WeakPolarHBondContact O-CB 3.23Å; H68-E71 PolarHBondContact O-N 2.6Å; H68-E71 VanDerWaalsContact O-N 3.12Å; E71-S73 PolarHBondContact O-N 2.61Å; E71-M74 WeakPolarHBondContact O-CB 3.4Å; E71-M74 PolarHBondContact O-N 3.28Å; E71-M74 VanDerWaalsContact O-N 3.11Å; E71-G75 PolarHBondContact O-N 2.03Å; E71-F76 HydrophobicContact CB-CB 4.19Å; E71-F76 HydrophobicContact CB-CD2 4.23Å; E71-F76 WeakPolarHBondContact O-CB 3.45Å; E71-F76 WeakPolarHBondContact O-CD2 3.31Å; E71-F76 PolarHBondContact O-N 2.84Å; E71-F76 VanDerWaalsContact O-N 3.08Å; E71-H77 VanDerWaalsContact CB-CD2 3.46Å; E71-H77 WeakPolarHBondContact CB-CD2 3.22Å; E71-H77 WeakPolarHBondContact CB-NE2 3.46Å; E71-H77 IonicContact OE2-CD2 2.91Å; E71-H77 IonicContact OE2-CE1 3.46Å; E71-H77 IonicContact OE2-NE2 3.25Å; E71-H77 PolarHBondContact OE2-NE2 3.35Å
72	A	98.3	Very high	98.3	Very high	22 Å²	22	60.6 Å²	60.6	18%	0.182	33%	0.334	C	S	.	.	H	α-helix	trans	-61.9	-41.3	175.8	0	0	0	0	0	112	H68 N69 L70 M74 G75 H77 Y79	H68-A72 PolarHBondContact O-N 2.94Å; N69-A72 PolarHBondContact O-N 3.24Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-A72 PolarHBondContact O-N 3.15Å; A72-M74 PolarHBondContact O-N 3.32Å; A72-M74 VanDerWaalsContact O-N 3.15Å; A72-G75 PolarHBondContact O-N 3.29Å; A72-H77 HydrophobicContact CB-CB 4.04Å; A72-Y79 WeakPolarHBondContact CB-O 3.02Å
73	S	98.2	Very high	98.3	Very high	92 Å²	92	60.6 Å²	60.6	64%	0.643	33%	0.334	S	S	*	.	H	α-helix	trans	-63.4	-20.1	176.1	77.9	0	0	0	0	113.8	N69 L70 E71	N69-S73 WeakPolarHBondContact O-CB 3.44Å; N69-S73 PolarHBondContact O-N 3.16Å; L70-S73 PolarHBondContact O-N 3.48Å; L70-S73 PolarHBondContact O-OG 3.39Å; E71-S73 PolarHBondContact O-N 2.61Å
74	M	98.2	Very high	98.3	Very high	124 Å²	124	54.6 Å²	54.6	61%	0.611	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	3.9	174.9	-61.2	174	70.6	0	0	112.8	L70 E71 A72 F76	L70-M74 WeakPolarHBondContact O-CG 3.5Å; L70-M74 PolarHBondContact O-N 2.98Å; E71-M74 WeakPolarHBondContact O-CB 3.4Å; E71-M74 PolarHBondContact O-N 3.28Å; E71-M74 VanDerWaalsContact O-N 3.11Å; A72-M74 PolarHBondContact O-N 3.32Å; A72-M74 VanDerWaalsContact O-N 3.15Å; M74-F76 HydrophobicContact CB-CD2 3.7Å; M74-F76 HydrophobicContact CB-CE2 3.72Å; M74-F76 HydrophobicContact CE-CE2 3.81Å; M74-F76 HydrophobicContact SD-CE2 4.09Å
75	G	96.9	Very high	98.2	Very high	63 Å²	63	53.1 Å²	53.1	65%	0.649	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	13.6	179.2	0	0	0	0	0	115.1	E71 A72	E71-G75 PolarHBondContact O-N 2.03Å; A72-G75 PolarHBondContact O-N 3.29Å
76	F	97.5	Very high	98.1	Very high	142 Å²	142	52.7 Å²	52.7	62%	0.623	29%	0.293	S	S	*	.	S	Bend	trans	-78.1	-23.8	177	-68	-65.8	0	0	0	113.6	E71 M74	E71-F76 HydrophobicContact CB-CB 4.19Å; E71-F76 HydrophobicContact CB-CD2 4.23Å; E71-F76 WeakPolarHBondContact O-CB 3.45Å; E71-F76 WeakPolarHBondContact O-CD2 3.31Å; E71-F76 PolarHBondContact O-N 2.84Å; E71-F76 VanDerWaalsContact O-N 3.08Å; M74-F76 HydrophobicContact CB-CD2 3.7Å; M74-F76 HydrophobicContact CB-CE2 3.72Å; M74-F76 HydrophobicContact CE-CE2 3.81Å; M74-F76 HydrophobicContact SD-CE2 4.09Å
77	H	98.1	Very high	98	Very high	42 Å²	42	48.6 Å²	48.6	19%	0.194	27%	0.268	C	S	.	.			trans	-129	153.5	178.3	-54.7	-63.9	0	0	0	109.9	H68 E71 A72 Y79	H68-H77 AromaticContact CD2-CD2 3.64Å; H68-H77 AromaticContact CD2-NE2 3.82Å; H68-H77 AromaticContact NE2-CD2 3.63Å; H68-H77 AromaticContact NE2-CG 3.56Å; E71-H77 VanDerWaalsContact CB-CD2 3.46Å; E71-H77 WeakPolarHBondContact CB-CD2 3.22Å; E71-H77 WeakPolarHBondContact CB-NE2 3.46Å; E71-H77 IonicContact OE2-CD2 2.91Å; E71-H77 IonicContact OE2-CE1 3.46Å; E71-H77 IonicContact OE2-NE2 3.25Å; E71-H77 PolarHBondContact OE2-NE2 3.35Å; A72-H77 HydrophobicContact CB-CB 4.04Å; H77-Y79 HydrophobicContact CB-CD1 4.34Å; H77-Y79 HydrophobicContact CB-CE1 4.34Å
78	T	98.2	Very high	98	Very high	52 Å²	52	42.5 Å²	42.5	32%	0.319	24%	0.242	S	C	.	.	S	Bend	trans	-107.7	11.3	-175	53	0	0	0	0	112.5	G271 V272 Q297	T78-G271 CarbonylContact O-C 3.59Å; T78-G271 WeakPolarHBondContact O-CA 3.45Å; T78-V272 CarbonylContact C-O 3.5Å; T78-V272 PolarHBondContact O-N 3.28Å; T78-V272 PolarHBondContact OG1-O 3.3Å; T78-Q297 VanDerWaalsContact CG2-CD 3.4Å; T78-Q297 PolarHBondContact OG1-OE1 3.3Å
79	Y	98.7	Very high	97.9	Very high	6 Å²	6	43.2 Å²	43.2	2%	0.024	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165.3	177.4	67.2	-77.8	0	0	0	110	H68 A72 H77 L81 R264 Y268 S270 V272 Y273	H68-Y79 AromaticContact CE1-CD2 3.76Å; H68-Y79 AromaticContact CE1-CE2 3.58Å; H68-Y79 AromaticContact CE1-CZ 3.92Å; H68-Y79 PolarHBondContact CE1-O 3.05Å; H68-Y79 VanDerWaalsContact CE1-O 3.22Å; H68-Y79 AromaticContact NE2-CD2 3.96Å; H68-Y79 AromaticContact NE2-CE1 3.84Å; H68-Y79 AromaticContact NE2-CE2 3.35Å; H68-Y79 WeakPolarHBondContact NE2-CE2 3.42Å; H68-Y79 AromaticContact NE2-CZ 3.27Å; H68-Y79 VanDerWaalsContact NE2-CZ 3.27Å; H68-Y79 PolarHBondContact NE2-OH 3.44Å; A72-Y79 WeakPolarHBondContact CB-O 3.02Å; H77-Y79 HydrophobicContact CB-CD1 4.34Å; H77-Y79 HydrophobicContact CB-CE1 4.34Å; Y79-L81 HydrophobicContact CD2-CD2 4.04Å; Y79-L81 HydrophobicContact CE2-CD2 3.72Å; Y79-L81 HydrophobicContact CE2-CG 4.49Å; Y79-R264 HydrophobicContact CE2-CB 4.34Å; Y79-R264 WeakPolarHBondContact OH-CD 3.19Å; Y79-Y268 HydrophobicContact CD2-CD2 4.01Å; Y79-Y268 HydrophobicContact CG-CD2 4.48Å; Y79-S270 WeakPolarHBondContact CA-O 3.15Å; Y79-S270 WeakPolarHBondContact CB-O 3.48Å; Y79-V272 WeakPolarHBondContact CB-O 3.12Å; Y79-V272 WeakPolarHBondContact CD1-O 3.4Å; Y79-Y273 AromaticContact CD2-CD2 3.94Å; Y79-Y273 HydrophobicContact CD2-CD2 3.94Å; Y79-Y273 HydrophobicContact CE1-CD2 4.29Å; Y79-Y273 AromaticContact CE2-CD2 3.57Å; Y79-Y273 HydrophobicContact CE2-CD2 3.57Å; Y79-Y273 AromaticContact CE2-CE2 3.82Å; Y79-Y273 HydrophobicContact CE2-CE2 3.82Å; Y79-Y273 HydrophobicContact CG-CD2 4.42Å; Y79-Y273 AromaticContact CZ-CD2 3.77Å; Y79-Y273 AromaticContact CZ-CE2 3.88Å
80	D	98.3	Very high	97.7	Very high	30 Å²	30	41.9 Å²	41.9	16%	0.16	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	162.2	173.9	72.7	-25.3	0	0	0	111.5	R269 S270	D80-R269 PolarHBondContact O-N 3.31Å; D80-R269 WeakPolarHBondContact OD2-CD 3.47Å; D80-R269 IonicContact OD2-CZ 3.07Å; D80-R269 IonicContact OD2-NE 3.56Å; D80-R269 IonicContact OD2-NH1 2.93Å; D80-R269 PolarHBondContact OD2-NH1 2.76Å; D80-S270 PolarHBondContact N-O 3.16Å; D80-S270 WeakPolarHBondContact OD1-CA 3.38Å; D80-S270 WeakPolarHBondContact OD1-CB 3.41Å; D80-S270 PolarHBondContact OD1-N 3.08Å; D80-S270 PolarHBondContact OD1-OG 3.39Å
81	L	98.8	Very high	97.3	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	157.7	178.2	-57.2	-178.2	0	0	0	111	L64 I65 H68 N69 Y79 R264 F267	L64-L81 HydrophobicContact CD2-CD1 3.62Å; I65-L81 HydrophobicContact CB-CB 4.32Å; I65-L81 HydrophobicContact CG1-CB 3.97Å; I65-L81 HydrophobicContact CG1-CD1 4.43Å; I65-L81 HydrophobicContact CG2-CB 4.02Å; H68-L81 HydrophobicContact CB-CD1 3.67Å; H68-L81 HydrophobicContact CB-CG 4.29Å; H68-L81 WeakPolarHBondContact ND1-CG 3.3Å; N69-L81 PolarHBondContact ND2-O 2.94Å; N69-L81 PolarHBondContact OD1-N 2.97Å; Y79-L81 HydrophobicContact CD2-CD2 4.04Å; Y79-L81 HydrophobicContact CE2-CD2 3.72Å; Y79-L81 HydrophobicContact CE2-CG 4.49Å; L81-R264 HydrophobicContact CD1-CB 4.23Å; L81-R264 HydrophobicContact CD1-CG 4.11Å; L81-R264 HydrophobicContact CD2-CB 4.21Å; L81-R264 WeakPolarHBondContact CD2-O 3.44Å; L81-F267 CarbonylContact C-O 3.16Å; L81-F267 WeakPolarHBondContact CA-O 3.47Å; L81-F267 HydrophobicContact CB-CB 4.14Å; L81-F267 WeakPolarHBondContact CB-O 3.06Å; L81-F267 HydrophobicContact CD1-CB 4.45Å; L81-F267 HydrophobicContact CD2-CB 4.23Å
82	S	98.2	Very high	97	Very high	33 Å²	33	41.9 Å²	41.9	23%	0.231	24%	0.241	C	C	.	.			trans	-144.1	153.7	168.6	60.4	0	0	0	0	112.7	N84 F267 R269	S82-N84 PolarHBondContact O-N 3.34Å; S82-F267 PolarHBondContact N-O 2.67Å; S82-R269 WeakPolarHBondContact OG-CB 3.46Å
83	M	98.4	Very high	96.8	Very high	41 Å²	41	42.5 Å²	42.5	20%	0.202	24%	0.24	C	C	.	.			trans	-69.7	124.4	171.4	-173.7	57.7	75.7	0	0	109	W58 N61 L62 I65 G87 F267	W58-M83 HydrophobicContact CD2-CE 4.43Å; W58-M83 HydrophobicContact CG-CE 4.25Å; W58-M83 WeakPolarHBondContact O-CE 3.38Å; N61-M83 HydrophobicContact CB-CE 4.12Å; L62-M83 HydrophobicContact CB-CE 3.79Å; L62-M83 HydrophobicContact CD1-CE 4.4Å; I65-M83 HydrophobicContact CD1-CB 4.13Å; I65-M83 HydrophobicContact CD1-CE 3.82Å; I65-M83 HydrophobicContact CD1-SD 4.24Å; M83-G87 WeakPolarHBondContact SD-CA 3.26Å; M83-F267 HydrophobicContact SD-CE1 4.31Å
84	N	97.3	Very high	96.4	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	21%	0.212	C	C	.	.			trans	-127.7	-166.7	178.5	66.4	29.3	0	0	0	110.5	W37 S82 M86 G87 A266	W37-N84 WeakPolarHBondContact CZ2-O 3.42Å; W37-N84 PolarHBondContact NE1-O 2.82Å; W37-N84 VanDerWaalsContact NE1-O 3.07Å; S82-N84 PolarHBondContact O-N 3.34Å; N84-M86 PolarHBondContact O-N 3.44Å; N84-M86 VanDerWaalsContact O-N 3.13Å; N84-M86 VanDerWaalsContact OD1-CB 3.31Å; N84-M86 WeakPolarHBondContact OD1-CB 3.32Å; N84-M86 PolarHBondContact OD1-N 3.34Å; N84-G87 PolarHBondContact O-N 3.07Å; N84-A266 PolarHBondContact ND2-O 3.22Å
85	F	96.1	Very high	95.9	Very high	22 Å²	22	35.6 Å²	35.6	10%	0.096	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.5	-177.9	74.6	-85.7	0	0	0	114.7	H41 K43 G87 Y98 M139 W306 S309	H41-F85 HydrophobicContact CB-CB 4.43Å; H41-F85 VanDerWaalsContact CD2-CA 3.46Å; H41-F85 WeakPolarHBondContact CD2-CA 3.41Å; K43-F85 WeakPolarHBondContact CE-O 3.42Å; K43-F85 PolarHBondContact NZ-O 2.85Å; F85-G87 VanDerWaalsContact C-N 3.29Å; F85-Y98 AromaticContact CE2-CE1 3.99Å; F85-Y98 HydrophobicContact CE2-CE1 3.99Å; F85-Y98 AromaticContact CE2-CZ 4Å; F85-Y98 HydrophobicContact CZ-CE1 4.24Å; F85-M139 HydrophobicContact CE1-CE 4.03Å; F85-M139 HydrophobicContact CE2-CE 4.25Å; F85-M139 HydrophobicContact CZ-CE 3.85Å; F85-M139 HydrophobicContact CZ-SD 4.16Å; F85-W306 HydrophobicContact CE1-CB 4.43Å; F85-W306 WeakPolarHBondContact CE1-O 3.49Å; F85-W306 HydrophobicContact CZ-CB 4.14Å; F85-W306 WeakPolarHBondContact CZ-O 3.43Å; F85-S309 WeakPolarHBondContact CD1-OG 3.44Å
86	M	96.3	Very high	95.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	3.5	175.9	-56.6	-173.4	172.8	0	0	112.9	N84 D88 L89 I94 Y98 A266 F267 W306	N84-M86 PolarHBondContact O-N 3.44Å; N84-M86 VanDerWaalsContact O-N 3.13Å; N84-M86 VanDerWaalsContact OD1-CB 3.31Å; N84-M86 WeakPolarHBondContact OD1-CB 3.32Å; N84-M86 PolarHBondContact OD1-N 3.34Å; M86-D88 PolarHBondContact O-N 3.35Å; M86-D88 VanDerWaalsContact O-N 3.11Å; M86-L89 HydrophobicContact CB-CD1 4.1Å; M86-L89 HydrophobicContact CG-CD1 4.24Å; M86-L89 WeakPolarHBondContact O-CB 3.02Å; M86-L89 PolarHBondContact O-N 3Å; M86-I94 HydrophobicContact CB-CD1 4.43Å; M86-I94 HydrophobicContact SD-CD1 4.45Å; M86-I94 HydrophobicContact SD-CG1 4.3Å; M86-I94 HydrophobicContact SD-CG2 4.49Å; M86-Y98 HydrophobicContact CE-CD1 3.52Å; M86-Y98 HydrophobicContact CE-CD2 4.25Å; M86-Y98 HydrophobicContact CE-CE1 3.73Å; M86-Y98 HydrophobicContact CE-CE2 4.42Å; M86-Y98 HydrophobicContact CE-CG 3.8Å; M86-A266 HydrophobicContact SD-CB 4.22Å; M86-F267 HydrophobicContact CB-CE1 4.4Å; M86-W306 HydrophobicContact CE-CB 4.04Å; M86-W306 HydrophobicContact CE-CD2 3.43Å; M86-W306 VanDerWaalsContact CE-CD2 3.43Å; M86-W306 HydrophobicContact CE-CE3 3.38Å; M86-W306 HydrophobicContact CE-CG 3.73Å; M86-W306 HydrophobicContact CE-CZ3 4.01Å; M86-W306 HydrophobicContact SD-CE3 4.05Å; M86-W306 HydrophobicContact SD-CZ3 4.21Å
87	G	97.5	Very high	94.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-35.1	-174.4	0	0	0	0	0	115.5	W58 N61 M83 N84 F85	W58-G87 WeakPolarHBondContact CA-O 3.36Å; W58-G87 PolarHBondContact N-O 2.91Å; N61-G87 PolarHBondContact ND2-O 3.44Å; M83-G87 WeakPolarHBondContact SD-CA 3.26Å; N84-G87 PolarHBondContact O-N 3.07Å; F85-G87 VanDerWaalsContact C-N 3.29Å
88	D	97.6	Very high	94.3	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	11.6	-179.2	67.8	-25.1	0	0	0	114.2	W34 W37 K43 Y45 R54 L57 M86	W34-D88 HydrophobicContact CH2-CB 4.3Å; W37-D88 HydrophobicContact CH2-CB 3.63Å; W37-D88 VanDerWaalsContact CH2-CG 3.45Å; W37-D88 HydrophobicContact CZ3-CB 4.03Å; K43-D88 IonicContact NZ-OD1 3.65Å; K43-D88 PolarHBondContact NZ-OD1 2.87Å; K43-D88 IonicContact NZ-OD2 3.08Å; K43-D88 PolarHBondContact NZ-OD2 2.81Å; Y45-D88 WeakPolarHBondContact CE1-OD2 3.42Å; Y45-D88 PolarHBondContact OH-OD2 2.86Å; R54-D88 HydrophobicContact CB-CB 4.09Å; R54-D88 WeakPolarHBondContact CD-O 3.19Å; R54-D88 PolarHBondContact NH1-O 2.76Å; L57-D88 VanDerWaalsContact CD1-O 3.28Å; L57-D88 WeakPolarHBondContact CD1-O 3.45Å; M86-D88 PolarHBondContact O-N 3.35Å; M86-D88 VanDerWaalsContact O-N 3.11Å
89	L	96.5	Very high	93.8	Very high	19 Å²	19	32 Å²	32	10%	0.099	16%	0.161	C	C	.	.			trans	-100	145.2	180	-57	-176.3	0	0	0	111.2	N61 M86 E93 I94 Y98	N61-L89 PolarHBondContact ND2-O 2.91Å; N61-L89 VanDerWaalsContact ND2-O 3.14Å; M86-L89 HydrophobicContact CB-CD1 4.1Å; M86-L89 HydrophobicContact CG-CD1 4.24Å; M86-L89 WeakPolarHBondContact O-CB 3.02Å; M86-L89 PolarHBondContact O-N 3Å; L89-E93 HydrophobicContact CB-CB 4.39Å; L89-I94 HydrophobicContact CB-CD1 4.22Å; L89-I94 HydrophobicContact CB-CG1 3.86Å; L89-I94 HydrophobicContact CD1-CG1 4.12Å; L89-Y98 HydrophobicContact CD1-CE2 3.99Å
90	S	94.8	Very high	93.3	Very high	21 Å²	21	32.6 Å²	32.6	15%	0.147	17%	0.165	C	C	.	.			trans	-76.7	158.2	166	61	0	0	0	0	111.3	E92 E93 I94	S90-E92 PolarHBondContact O-N 2.84Å; S90-E93 WeakPolarHBondContact CB-OE2 3.12Å; S90-E93 PolarHBondContact N-OE2 3.17Å; S90-E93 PolarHBondContact O-N 2.93Å; S90-E93 VanDerWaalsContact OG-CG 3.24Å; S90-E93 WeakPolarHBondContact OG-CG 3.46Å; S90-E93 PolarHBondContact OG-N 3.15Å; S90-E93 PolarHBondContact OG-OE2 3.46Å; S90-I94 WeakPolarHBondContact O-CG1 3.28Å; S90-I94 PolarHBondContact O-N 3.29Å
91	P	91.8	Very high	93.1	Very high	42 Å²	42	31.5 Å²	31.5	27%	0.273	16%	0.159	S	C	.	.	H	α-helix	trans	-53.8	-36.9	171.1	-25.9	35.5	0	0	0	112.7	I94 M95 P263	P91-I94 PolarHBondContact O-N 3.09Å; P91-M95 WeakPolarHBondContact O-CB 3.31Å; P91-M95 VanDerWaalsContact O-CG 3.28Å; P91-M95 WeakPolarHBondContact O-CG 3.42Å; P91-M95 PolarHBondContact O-N 3.02Å; P91-P263 HydrophobicContact CG-CG 4.21Å
92	E	92.2	Very high	92.5	Very high	120 Å²	120	35.7 Å²	35.7	56%	0.561	19%	0.185	S	C	*	.	H	α-helix	trans	-65.8	-44	179.9	-65.8	68.7	-149.2	0	0	111.8	S90 M95 Q96	S90-E92 PolarHBondContact O-N 2.84Å; E92-M95 HydrophobicContact CG-CE 4.29Å; E92-M95 PolarHBondContact O-N 3.19Å; E92-Q96 WeakPolarHBondContact O-CB 3.49Å; E92-Q96 PolarHBondContact O-N 2.82Å
93	E	92.4	Very high	92	Very high	35 Å²	35	35.9 Å²	35.9	16%	0.164	19%	0.185	C	C	.	.	H	α-helix	trans	-64.8	-41.9	175.2	-72.4	167.6	118.7	0	0	111.9	R54 L89 S90 M95 Q96 F97	R54-E93 IonicContact CZ-OE1 2.75Å; R54-E93 VanDerWaalsContact NH1-CD 3.27Å; R54-E93 IonicContact NH1-OE1 2.88Å; R54-E93 PolarHBondContact NH1-OE1 3.06Å; R54-E93 IonicContact NH1-OE2 2.69Å; R54-E93 PolarHBondContact NH1-OE2 2.74Å; R54-E93 IonicContact NH2-OE1 3.86Å; R54-E93 PolarHBondContact NH2-OE1 2.96Å; L89-E93 HydrophobicContact CB-CB 4.39Å; S90-E93 WeakPolarHBondContact CB-OE2 3.12Å; S90-E93 PolarHBondContact N-OE2 3.17Å; S90-E93 PolarHBondContact O-N 2.93Å; S90-E93 VanDerWaalsContact OG-CG 3.24Å; S90-E93 WeakPolarHBondContact OG-CG 3.46Å; S90-E93 PolarHBondContact OG-N 3.15Å; S90-E93 PolarHBondContact OG-OE2 3.46Å; E93-M95 VanDerWaalsContact C-N 3.29Å; E93-M95 PolarHBondContact O-N 3.25Å; E93-Q96 PolarHBondContact O-N 2.7Å; E93-F97 HydrophobicContact CB-CD2 4.5Å; E93-F97 WeakPolarHBondContact O-CD2 3.48Å; E93-F97 PolarHBondContact O-N 2.89Å; E93-F97 VanDerWaalsContact O-N 3.09Å
94	I	91.1	Very high	91.4	Very high	11 Å²	11	34.9 Å²	34.9	6%	0.056	18%	0.182	C	C	.	.	H	α-helix	trans	-59.3	-46.2	174.4	-66.9	164.3	0	0	0	109.4	M86 L89 S90 P91 Q96 Y98 T99 A266	M86-I94 HydrophobicContact CB-CD1 4.43Å; M86-I94 HydrophobicContact SD-CD1 4.45Å; M86-I94 HydrophobicContact SD-CG1 4.3Å; M86-I94 HydrophobicContact SD-CG2 4.49Å; L89-I94 HydrophobicContact CB-CD1 4.22Å; L89-I94 HydrophobicContact CB-CG1 3.86Å; L89-I94 HydrophobicContact CD1-CG1 4.12Å; S90-I94 WeakPolarHBondContact O-CG1 3.28Å; S90-I94 PolarHBondContact O-N 3.29Å; P91-I94 PolarHBondContact O-N 3.09Å; I94-Q96 PolarHBondContact O-N 2.89Å; I94-Y98 WeakPolarHBondContact O-CA 3.23Å; I94-Y98 VanDerWaalsContact O-CB 3.27Å; I94-Y98 WeakPolarHBondContact O-CB 3.39Å; I94-Y98 PolarHBondContact O-N 2.84Å; I94-T99 PolarHBondContact O-N 3.21Å; I94-A266 HydrophobicContact CD1-CB 3.79Å
95	M	88.4	Confident	90.7	Very high	59 Å²	59	41.9 Å²	41.9	29%	0.291	23%	0.225	S	C	.	.	H	α-helix	trans	-63.1	-42.5	179.8	-75.1	-174.4	-61.7	0	0	112.7	P91 E92 E93 T99 R261	P91-M95 WeakPolarHBondContact O-CB 3.31Å; P91-M95 VanDerWaalsContact O-CG 3.28Å; P91-M95 WeakPolarHBondContact O-CG 3.42Å; P91-M95 PolarHBondContact O-N 3.02Å; E92-M95 HydrophobicContact CG-CE 4.29Å; E92-M95 PolarHBondContact O-N 3.19Å; E93-M95 VanDerWaalsContact C-N 3.29Å; E93-M95 PolarHBondContact O-N 3.25Å; M95-T99 VanDerWaalsContact CA-OG1 3.27Å; M95-T99 WeakPolarHBondContact CA-OG1 3.48Å; M95-T99 CarbonylContact O-C 3.45Å; M95-T99 PolarHBondContact O-N 2.86Å; M95-T99 PolarHBondContact O-OG1 2.85Å; M95-R261 HydrophobicContact CG-CG 4.36Å; M95-R261 HydrophobicContact SD-CB 4.26Å; M95-R261 HydrophobicContact SD-CG 3.73Å
96	Q	87	Confident	89.9	Confident	126 Å²	126	46.8 Å²	46.8	59%	0.589	25%	0.252	S	S	*	.	H	α-helix	trans	-67.1	-37.5	-176.8	-177.7	175.4	-1.1	0	0	112.9	E92 E93 I94 T100	E92-Q96 WeakPolarHBondContact O-CB 3.49Å; E92-Q96 PolarHBondContact O-N 2.82Å; E93-Q96 PolarHBondContact O-N 2.7Å; I94-Q96 PolarHBondContact O-N 2.89Å; Q96-T100 WeakPolarHBondContact O-CG2 3.48Å
97	F	82.6	Confident	89.3	Confident	69 Å²	69	48.4 Å²	48.4	30%	0.303	26%	0.261	S	S	.	.	H	α-helix	trans	-105.5	-27.7	-171.8	-65.3	-60.5	0	0	0	114.1	E93 Q140 A142 C143 G144	E93-F97 HydrophobicContact CB-CD2 4.5Å; E93-F97 WeakPolarHBondContact O-CD2 3.48Å; E93-F97 PolarHBondContact O-N 2.89Å; E93-F97 VanDerWaalsContact O-N 3.09Å; F97-Q140 PolarHBondContact O-NE2 3.31Å; F97-A142 HydrophobicContact CD1-CB 4.19Å; F97-A142 HydrophobicContact CG-CB 4.34Å; F97-C143 CarbonylContact O-C 3.2Å; F97-G144 WeakPolarHBondContact O-CA 3.24Å; F97-G144 PolarHBondContact O-N 2.87Å
98	Y	87.9	Confident	88.3	Confident	22 Å²	22	57.1 Å²	57.1	9%	0.086	30%	0.301	C	S	.	.	H	α-helix	trans	-111.8	-23.2	-169.7	-65.2	-90.2	0	0	0	113.9	F85 M86 L89 I94 Q140 G141 H284 W306	F85-Y98 AromaticContact CE2-CE1 3.99Å; F85-Y98 HydrophobicContact CE2-CE1 3.99Å; F85-Y98 AromaticContact CE2-CZ 4Å; F85-Y98 HydrophobicContact CZ-CE1 4.24Å; M86-Y98 HydrophobicContact CE-CD1 3.52Å; M86-Y98 HydrophobicContact CE-CD2 4.25Å; M86-Y98 HydrophobicContact CE-CE1 3.73Å; M86-Y98 HydrophobicContact CE-CE2 4.42Å; M86-Y98 HydrophobicContact CE-CG 3.8Å; L89-Y98 HydrophobicContact CD1-CE2 3.99Å; I94-Y98 WeakPolarHBondContact O-CA 3.23Å; I94-Y98 VanDerWaalsContact O-CB 3.27Å; I94-Y98 WeakPolarHBondContact O-CB 3.39Å; I94-Y98 PolarHBondContact O-N 2.84Å; Y98-Q140 HydrophobicContact CD1-CG 4.19Å; Y98-Q140 PolarHBondContact O-NE2 3.44Å; Y98-G141 WeakPolarHBondContact CE1-O 3.11Å; Y98-H284 PolarHBondContact O-CE1 3.35Å; Y98-H284 PolarHBondContact O-ND1 2.99Å; Y98-W306 AromaticContact CD1-CD1 3.69Å; Y98-W306 HydrophobicContact CD1-CD2 4.44Å; Y98-W306 HydrophobicContact CD1-CG 4.16Å; Y98-W306 AromaticContact CD1-NE1 3.74Å; Y98-W306 PolarHBondContact O-NE1 3.09Å
99	T	87.4	Confident	87.5	Confident	7 Å²	7	60 Å²	60	4%	0.043	31%	0.312	C	S	.	.			trans	-130	70.4	-176.3	72.1	0	0	0	0	112.3	I94 M95 A260 N283 H284 W306	I94-T99 PolarHBondContact O-N 3.21Å; M95-T99 VanDerWaalsContact CA-OG1 3.27Å; M95-T99 WeakPolarHBondContact CA-OG1 3.48Å; M95-T99 CarbonylContact O-C 3.45Å; M95-T99 PolarHBondContact O-N 2.86Å; M95-T99 PolarHBondContact O-OG1 2.85Å; T99-A260 HydrophobicContact CG2-CB 3.81Å; T99-N283 CarbonylContact C-O 2.94Å; T99-N283 WeakPolarHBondContact CA-O 3.3Å; T99-N283 WeakPolarHBondContact CB-O 3.5Å; T99-N283 PolarHBondContact OG1-ND2 3.39Å; T99-H284 HydrophobicContact CG2-CB 3.86Å; T99-W306 HydrophobicContact CG2-CH2 4.12Å; T99-W306 HydrophobicContact CG2-CZ2 3.69Å
100	T	89.8	Confident	86.1	Confident	19 Å²	19	62.7 Å²	62.7	12%	0.117	34%	0.337	C	S	.	.			trans	-109.9	18.6	-174.6	61.6	0	0	0	0	113.5	Q96 T102 G144 G188 N283	Q96-T100 WeakPolarHBondContact O-CG2 3.48Å; T100-T102 PolarHBondContact O-N 2.98Å; T100-G144 WeakPolarHBondContact OG1-CA 3.07Å; T100-G144 PolarHBondContact OG1-O 3.31Å; T100-G188 WeakPolarHBondContact O-CA 3.41Å; T100-N283 PolarHBondContact N-O 3.1Å
101	L	92.5	Very high	84.6	Confident	7 Å²	7	67.8 Å²	67.8	4%	0.037	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-64.5	130.2	171.3	166.3	143.7	0	0	0	108.8	P103 F190 M191 A257 V282 N283 A285	L101-P103 HydrophobicContact CD2-CG 3.92Å; L101-F190 HydrophobicContact CD1-CD2 3.78Å; L101-F190 HydrophobicContact CD1-CE2 3.74Å; L101-F190 HydrophobicContact CD2-CD2 4.3Å; L101-F190 HydrophobicContact CD2-CE2 3.94Å; L101-F190 HydrophobicContact CG-CD2 3.82Å; L101-F190 HydrophobicContact CG-CE2 3.91Å; L101-M191 HydrophobicContact CD1-CE 4.05Å; L101-M191 HydrophobicContact CD1-SD 3.38Å; L101-M191 WeakPolarHBondContact CD1-SD 3.5Å; L101-A257 HydrophobicContact CD1-CB 3.75Å; L101-A257 HydrophobicContact CD2-CB 3.83Å; L101-A257 HydrophobicContact CG-CB 4.49Å; L101-V282 HydrophobicContact CD2-CB 4.4Å; L101-V282 HydrophobicContact CD2-CG2 3.74Å; L101-N283 WeakPolarHBondContact CB-O 3.02Å; L101-N283 PolarHBondContact N-O 2.95Å; L101-A285 HydrophobicContact CB-CB 4.33Å; L101-A285 HydrophobicContact CD1-CB 3.56Å
102	T	85.9	Confident	83.2	Confident	90 Å²	90	67.4 Å²	67.4	55%	0.552	37%	0.368	S	S	*	.			trans	-118	105.2	179.4	-57.8	0	0	0	0	108.4	T100 G189 F190	T100-T102 PolarHBondContact O-N 2.98Å; T102-G189 PolarHBondContact N-O 2.86Å; T102-F190 WeakPolarHBondContact O-CD2 3.3Å
103	P	88.8	Confident	81.8	Confident	37 Å²	37	65.8 Å²	65.8	24%	0.24	37%	0.367	C	S	.	.			trans	-57.3	127.4	175	-25.3	36.6	0	0	0	110.6	L101 F190 V282 Y331	L101-P103 HydrophobicContact CD2-CG 3.92Å; P103-F190 HydrophobicContact CB-CE2 4.24Å; P103-F190 HydrophobicContact CG-CE2 4.43Å; P103-V282 HydrophobicContact CG-CG2 3.57Å; P103-Y331 HydrophobicContact CB-CE1 4.41Å; P103-Y331 HydrophobicContact CB-CE2 4.43Å; P103-Y331 HydrophobicContact CG-CE2 4.46Å
104	P	86.2	Confident	80.7	Confident	20 Å²	20	65.5 Å²	65.5	13%	0.13	37%	0.366	C	S	.	.			trans	-67.1	134.8	175.7	22.9	-28	0	0	0	110.1	D106 L107 F190	P104-D106 VanDerWaalsContact C-N 3.26Å; P104-D106 PolarHBondContact O-N 2.9Å; P104-L107 HydrophobicContact CG-CB 3.99Å; P104-L107 HydrophobicContact CG-CD1 3.9Å; P104-L107 HydrophobicContact CG-CG 4.34Å; P104-F190 VanDerWaalsContact CD-CD2 3.5Å; P104-F190 HydrophobicContact CG-CG 4.43Å
105	T	82.3	Confident	79.2	Confident	151 Å²	151	71 Å²	71	93%	0.926	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.8	-179.5	47.9	0	0	0	0	113
106	D	79.1	Confident	77.7	Confident	124 Å²	124	69.3 Å²	69.3	66%	0.663	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	27.9	-173.6	63.2	-27.2	0	0	0	112.3	P104 Q108	P104-D106 VanDerWaalsContact C-N 3.26Å; P104-D106 PolarHBondContact O-N 2.9Å; D106-Q108 PolarHBondContact O-N 3.37Å
107	L	84.4	Confident	76.1	Confident	35 Å²	35	65.9 Å²	65.9	18%	0.183	39%	0.391	C	S	.	.			trans	-59	102.6	-177.4	-170.9	58.5	0	0	0	111.8	P104 R109 F235 Y331	P104-L107 HydrophobicContact CG-CB 3.99Å; P104-L107 HydrophobicContact CG-CD1 3.9Å; P104-L107 HydrophobicContact CG-CG 4.34Å; L107-R109 HydrophobicContact CD2-CG 4.22Å; L107-R109 HydrophobicContact CG-CG 4.14Å; L107-R109 PolarHBondContact O-N 3.35Å; L107-F235 HydrophobicContact CD1-CE2 4.02Å; L107-F235 HydrophobicContact CD1-CZ 3.72Å; L107-F235 HydrophobicContact CD2-CE1 3.95Å; L107-F235 HydrophobicContact CD2-CZ 3.97Å; L107-F235 HydrophobicContact CG-CZ 4.34Å; L107-Y331 HydrophobicContact CD2-CD1 3.91Å; L107-Y331 HydrophobicContact CD2-CE1 3.96Å
108	Q	75.7	Confident	74.5	Confident	182 Å²	182	68.8 Å²	68.8	85%	0.85	42%	0.419	S	S	*	.			trans	-81.4	104.7	170.2	-64.1	-163.3	5.9	0	0	109.5	D106 A110	D106-Q108 PolarHBondContact O-N 3.37Å; Q108-A110 PolarHBondContact O-N 2.97Å
109	R	80.4	Confident	73	Confident	65 Å²	65	71.4 Å²	71.4	25%	0.245	45%	0.453	C	S	.	.			trans	-84.6	110.5	170	-58.6	-176.9	-165.7	-144	2.5	107.5	L107 F235 Q238 L330	L107-R109 HydrophobicContact CD2-CG 4.22Å; L107-R109 HydrophobicContact CG-CG 4.14Å; L107-R109 PolarHBondContact O-N 3.35Å; R109-F235 HydrophobicContact CG-CD2 4.47Å; R109-F235 HydrophobicContact CG-CG 4.35Å; R109-Q238 VanDerWaalsContact NH1-CB 3.32Å; R109-L330 VanDerWaalsContact CZ-O 3.23Å; R109-L330 PolarHBondContact NH1-O 3.29Å; R109-L330 PolarHBondContact NH2-O 2.97Å
110	A	67.2	Low	71.5	Confident	75 Å²	75	72.7 Å²	72.7	62%	0.62	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-54	145.8	162.5	0	0	0	0	0	108.4	Q108 S112	Q108-A110 PolarHBondContact O-N 2.97Å; A110-S112 PolarHBondContact O-N 3.43Å
111	P	62.7	Low	71.1	Confident	127 Å²	127	80.1 Å²	80.1	83%	0.825	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-49.5	121.6	172.4	-23.3	32	0	0	0	108.4	P113	P111-P113 WeakPolarHBondContact O-CD 3.21Å
112	S	64.2	Low	71.1	Confident	35 Å²	35	80.6 Å²	80.6	25%	0.245	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-62.6	125	-177.3	-166.7	0	0	0	0	108.2	A110 F114 F235	A110-S112 PolarHBondContact O-N 3.43Å; S112-F114 PolarHBondContact O-N 3.47Å; S112-F114 VanDerWaalsContact O-N 3.15Å; S112-F114 WeakPolarHBondContact OG-CB 3.31Å; S112-F114 PolarHBondContact OG-N 2.71Å; S112-F235 WeakPolarHBondContact CB-O 3.3Å; S112-F235 PolarHBondContact OG-O 3Å
113	P	62.6	Low	71.5	Confident	85 Å²	85	79.5 Å²	79.5	55%	0.552	50%	0.499	S	S	*	.	S	Bend	trans	-66.9	-8.6	168.6	30.5	-34.4	0	0	0	110.8	P111 V115 N234	P111-P113 WeakPolarHBondContact O-CD 3.21Å; P113-V115 PolarHBondContact O-N 2.99Å; P113-N234 WeakPolarHBondContact CD-OD1 3.31Å; P113-N234 VanDerWaalsContact CG-OD1 3.31Å; P113-N234 WeakPolarHBondContact CG-OD1 3.46Å
114	F	68.1	Low	71.9	Confident	29 Å²	29	83.8 Å²	83.8	13%	0.127	52%	0.52	C	S	.	.			trans	-67.3	85.7	170.2	-165	-96.6	0	0	0	109.8	S112 G116 L236 A243 E246 I251	S112-F114 PolarHBondContact O-N 3.47Å; S112-F114 VanDerWaalsContact O-N 3.15Å; S112-F114 WeakPolarHBondContact OG-CB 3.31Å; S112-F114 PolarHBondContact OG-N 2.71Å; F114-G116 VanDerWaalsContact C-N 3.29Å; F114-G116 PolarHBondContact O-N 2.99Å; F114-G116 VanDerWaalsContact O-N 3.16Å; F114-L236 HydrophobicContact CB-CD2 4.31Å; F114-L236 HydrophobicContact CD1-CD2 3.84Å; F114-L236 HydrophobicContact CD2-CD2 4.04Å; F114-L236 HydrophobicContact CE1-CD2 4.16Å; F114-L236 HydrophobicContact CE2-CD2 4.33Å; F114-L236 HydrophobicContact CG-CD2 3.78Å; F114-L236 HydrophobicContact CZ-CD2 4.39Å; F114-A243 HydrophobicContact CD1-CB 4.32Å; F114-A243 HydrophobicContact CE1-CB 3.95Å; F114-E246 HydrophobicContact CE1-CB 4.21Å; F114-E246 HydrophobicContact CZ-CB 3.63Å; F114-I251 HydrophobicContact CD2-CD1 3.94Å; F114-I251 HydrophobicContact CE2-CD1 3.96Å
115	V	60.7	Low	72.4	Confident	127 Å²	127	86.7 Å²	86.7	77%	0.77	54%	0.537	S	S	*	.			trans	-75.6	94.3	157	-174.4	0	0	0	0	104.6	P113 A117	P113-V115 PolarHBondContact O-N 2.99Å; V115-A117 PolarHBondContact O-N 2.85Å
116	G	57.3	Low	73.2	Confident	23 Å²	23	80 Å²	80	24%	0.237	50%	0.496	C	S	.	.			trans	-49.5	114.1	166.1	0	0	0	0	0	106.6	F114 S118 E246	F114-G116 VanDerWaalsContact C-N 3.29Å; F114-G116 PolarHBondContact O-N 2.99Å; F114-G116 VanDerWaalsContact O-N 3.16Å; G116-S118 VanDerWaalsContact C-N 3.29Å; G116-S118 PolarHBondContact O-N 3.22Å; G116-E246 WeakPolarHBondContact CA-OE2 3.36Å
117	A	53.1	Low	74.1	Confident	55 Å²	55	75.2 Å²	75.2	46%	0.455	47%	0.47	S	S	.	.			trans	-70.8	100.1	-179.4	0	0	0	0	0	104.5	V115 G119 S120 E246	V115-A117 PolarHBondContact O-N 2.85Å; A117-G119 CarbonylContact O-C 3.57Å; A117-G119 PolarHBondContact O-N 3.27Å; A117-S120 PolarHBondContact O-N 3.4Å; A117-S120 PolarHBondContact O-OG 3.2Å; A117-E246 PolarHBondContact N-OE2 3.02Å
118	S	48.9	Very low	74.8	Confident	129 Å²	129	74.7 Å²	74.7	90%	0.902	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	106.9	171.8	-61.3	0	0	0	0	108	G116	G116-S118 VanDerWaalsContact C-N 3.29Å; G116-S118 PolarHBondContact O-N 3.22Å
119	G	55.3	Low	75.9	Confident	77 Å²	77	70 Å²	70	79%	0.794	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	20.4	-175.3	0	0	0	0	0	116.3	A117 D121	A117-G119 CarbonylContact O-C 3.57Å; A117-G119 PolarHBondContact O-N 3.27Å; G119-D121 PolarHBondContact O-N 2.86Å
120	S	57.3	Low	76.7	Confident	35 Å²	35	73.6 Å²	73.6	25%	0.245	47%	0.465	C	S	.	.			trans	-64.1	121.2	164.4	41.5	0	0	0	0	109.5	A117 V122	A117-S120 PolarHBondContact O-N 3.4Å; A117-S120 PolarHBondContact O-OG 3.2Å; S120-V122 PolarHBondContact O-N 3.02Å
121	D	80.3	Confident	78.1	Confident	174 Å²	174	75.7 Å²	75.7	93%	0.93	46%	0.46	S	S	*	.			trans	-73.8	69.8	-178.6	-152.1	15.8	0	0	0	109.3	G119	G119-D121 PolarHBondContact O-N 2.86Å
122	V	92.3	Very high	79.7	Confident	18 Å²	18	71.3 Å²	71.3	11%	0.109	44%	0.438	C	S	.	.			trans	-79.8	145.4	175.6	-62.1	0	0	0	0	109.2	S120 K245 E246 A249 T250	S120-V122 PolarHBondContact O-N 3.02Å; V122-K245 HydrophobicContact CG2-CD 4.29Å; V122-K245 HydrophobicContact CG2-CG 4.37Å; V122-E246 HydrophobicContact CG1-CG 4.39Å; V122-A249 HydrophobicContact CB-CB 3.7Å; V122-A249 HydrophobicContact CG1-CB 3.54Å; V122-T250 HydrophobicContact CG1-CG2 4.41Å
123	P	95.6	Very high	81.4	Confident	66 Å²	66	70.4 Å²	70.4	43%	0.429	43%	0.43	S	S	.	.			trans	-53.5	153.1	179.8	-25.8	34.1	0	0	0	112.7	T125 Y291	P123-T125 VanDerWaalsContact C-N 3.33Å; P123-T125 WeakPolarHBondContact CB-O 3.04Å; P123-Y291 WeakPolarHBondContact O-CE2 3.45Å; P123-Y291 PolarHBondContact O-OH 3.19Å; P123-Y291 VanDerWaalsContact O-OH 3.13Å
124	D	95.9	Very high	83.1	Confident	127 Å²	127	67.1 Å²	67.1	68%	0.679	41%	0.408	S	S	*	.	S	Bend	trans	-71	-32	173.5	-71.9	-35.1	0	0	0	112.5	Y291	D124-Y291 WeakPolarHBondContact O-CD2 3.4Å
125	T	98	Very high	84.5	Confident	81 Å²	81	66.1 Å²	66.1	50%	0.497	41%	0.405	S	S	.	.	S	Bend	trans	-131.9	138.1	176.8	-63.7	0	0	0	0	109.6	P123 Y291	P123-T125 VanDerWaalsContact C-N 3.33Å; P123-T125 WeakPolarHBondContact CB-O 3.04Å; T125-Y291 WeakPolarHBondContact CA-O 3.35Å
126	L	98.4	Very high	86.3	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.052	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	136	178.8	179.2	67.1	0	0	0	110	W128 K131 I248 A249 G290 Y291	L126-W128 HydrophobicContact CD2-CZ2 4.08Å; L126-K131 HydrophobicContact CD1-CD 4.31Å; L126-K131 VanDerWaalsContact CD1-NZ 3.32Å; L126-I248 HydrophobicContact CD2-CG2 4.17Å; L126-A249 HydrophobicContact CD2-CB 4.23Å; L126-G290 CarbonylContact O-C 3.57Å; L126-G290 WeakPolarHBondContact O-CA 3.18Å; L126-Y291 HydrophobicContact CB-CE1 4.06Å; L126-Y291 HydrophobicContact CB-CE2 4.02Å; L126-Y291 HydrophobicContact CD2-CE1 4.06Å; L126-Y291 PolarHBondContact N-O 3.31Å; L126-Y291 PolarHBondContact O-N 3.47Å; L126-Y291 VanDerWaalsContact O-O 3.13Å
127	D	98.6	Very high	88.3	Confident	24 Å²	24	68 Å²	68	13%	0.128	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	114.7	172	-167.1	-24.5	0	0	0	109.5	R129 L301	D127-R129 PolarHBondContact O-N 2.83Å; D127-R129 WeakPolarHBondContact OD1-CB 3.04Å; D127-R129 WeakPolarHBondContact OD1-CG 3.43Å; D127-R129 PolarHBondContact OD1-N 3.41Å; D127-R129 IonicContact OD1-NE 2.79Å; D127-R129 PolarHBondContact OD1-NE 2.9Å; D127-R129 VanDerWaalsContact OD1-NE 3.07Å; D127-R129 IonicContact OD2-CZ 3.92Å; D127-R129 IonicContact OD2-NE 3.26Å; D127-R129 PolarHBondContact OD2-NE 3Å; D127-R129 IonicContact OD2-NH2 3.61Å; D127-R129 PolarHBondContact OD2-NH2 2.86Å; D127-L301 HydrophobicContact CB-CD2 4.33Å; D127-L301 VanDerWaalsContact CG-CD2 3.43Å; D127-L301 WeakPolarHBondContact OD1-CD2 3.3Å; D127-L301 VanDerWaalsContact OD2-CD2 3.22Å; D127-L301 WeakPolarHBondContact OD2-CD2 3.44Å
128	W	98.7	Very high	90.4	Very high	24 Å²	24	66.5 Å²	66.5	9%	0.091	38%	0.376	C	S	.	.	S	Bend	trans	-74.3	-12.6	178.3	-75.7	119.4	0	0	0	113.6	L126 D130 K131 G132 L133 V134 I248 P253 V289	L126-W128 HydrophobicContact CD2-CZ2 4.08Å; W128-D130 VanDerWaalsContact C-N 3.33Å; W128-K131 HydrophobicContact CE3-CB 3.7Å; W128-K131 HydrophobicContact CE3-CD 3.61Å; W128-K131 HydrophobicContact CE3-CG 4.22Å; W128-K131 HydrophobicContact CH2-CD 4.26Å; W128-K131 HydrophobicContact CZ3-CB 4.02Å; W128-K131 HydrophobicContact CZ3-CD 3.42Å; W128-K131 VanDerWaalsContact CZ3-CD 3.42Å; W128-K131 HydrophobicContact CZ3-CG 4.36Å; W128-K131 PolarHBondContact O-N 3.15Å; W128-G132 PolarHBondContact O-N 3.29Å; W128-L133 HydrophobicContact CB-CB 4.06Å; W128-L133 HydrophobicContact CD2-CB 4.35Å; W128-L133 HydrophobicContact CD2-CD2 3.99Å; W128-L133 HydrophobicContact CE3-CB 3.99Å; W128-L133 HydrophobicContact CE3-CD1 3.93Å; W128-L133 HydrophobicContact CE3-CD2 3.5Å; W128-L133 VanDerWaalsContact CE3-CD2 3.5Å; W128-L133 HydrophobicContact CE3-CG 4Å; W128-L133 HydrophobicContact CG-CB 4.41Å; W128-L133 HydrophobicContact CH2-CD2 4.25Å; W128-L133 HydrophobicContact CZ3-CD1 4.08Å; W128-L133 HydrophobicContact CZ3-CD2 3.64Å; W128-L133 HydrophobicContact CZ3-CG 4.38Å; W128-L133 PolarHBondContact O-N 3.15Å; W128-L133 VanDerWaalsContact O-N 3.1Å; W128-V134 HydrophobicContact CB-CG2 3.69Å; W128-I248 WeakPolarHBondContact CZ2-O 3.41Å; W128-I248 PolarHBondContact NE1-O 3.21Å; W128-P253 HydrophobicContact CB-CG 4.13Å; W128-P253 HydrophobicContact CG-CG 4.18Å; W128-V289 VanDerWaalsContact CB-O 3.29Å; W128-V289 WeakPolarHBondContact CB-O 3.24Å; W128-V289 PolarHBondContact N-O 2.92Å
129	R	98.3	Very high	92.7	Very high	85 Å²	85	64 Å²	64	32%	0.321	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-44.4	172.6	-58.7	177.8	-63.8	177.5	4.8	110.3	D127 K131 G132 V134 Y315	D127-R129 PolarHBondContact O-N 2.83Å; D127-R129 WeakPolarHBondContact OD1-CB 3.04Å; D127-R129 WeakPolarHBondContact OD1-CG 3.43Å; D127-R129 PolarHBondContact OD1-N 3.41Å; D127-R129 IonicContact OD1-NE 2.79Å; D127-R129 PolarHBondContact OD1-NE 2.9Å; D127-R129 VanDerWaalsContact OD1-NE 3.07Å; D127-R129 IonicContact OD2-CZ 3.92Å; D127-R129 IonicContact OD2-NE 3.26Å; D127-R129 PolarHBondContact OD2-NE 3Å; D127-R129 IonicContact OD2-NH2 3.61Å; D127-R129 PolarHBondContact OD2-NH2 2.86Å; R129-K131 PolarHBondContact O-N 2.93Å; R129-G132 PolarHBondContact O-N 3.07Å; R129-V134 HydrophobicContact CG-CB 4.11Å; R129-V134 HydrophobicContact CG-CG1 4.23Å; R129-V134 HydrophobicContact CG-CG2 4.19Å; R129-Y315 HydrophobicContact CG-CE1 4.3Å
130	D	97	Very high	94.7	Very high	140 Å²	140	60.4 Å²	60.4	75%	0.749	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.6	-179.4	-61.4	-20	0	0	0	112.9	W128	W128-D130 VanDerWaalsContact C-N 3.33Å
131	K	96.8	Very high	96.3	Very high	119 Å²	119	59.7 Å²	59.7	52%	0.517	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	4.9	-178.5	-64.1	-175.6	179.1	-177.7	0	113.4	L126 W128 R129 L133	L126-K131 HydrophobicContact CD1-CD 4.31Å; L126-K131 VanDerWaalsContact CD1-NZ 3.32Å; W128-K131 HydrophobicContact CE3-CB 3.7Å; W128-K131 HydrophobicContact CE3-CD 3.61Å; W128-K131 HydrophobicContact CE3-CG 4.22Å; W128-K131 HydrophobicContact CH2-CD 4.26Å; W128-K131 HydrophobicContact CZ3-CB 4.02Å; W128-K131 HydrophobicContact CZ3-CD 3.42Å; W128-K131 VanDerWaalsContact CZ3-CD 3.42Å; W128-K131 HydrophobicContact CZ3-CG 4.36Å; W128-K131 PolarHBondContact O-N 3.15Å; R129-K131 PolarHBondContact O-N 2.93Å; K131-L133 VanDerWaalsContact C-N 3.35Å; K131-L133 HydrophobicContact CB-CD1 4.29Å; K131-L133 WeakPolarHBondContact O-CD1 3.44Å; K131-L133 PolarHBondContact O-N 2.91Å
132	G	97.1	Very high	96.8	Very high	35 Å²	35	54.8 Å²	54.8	36%	0.361	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	24.8	176.1	0	0	0	0	0	114.8	W128 R129	W128-G132 PolarHBondContact O-N 3.29Å; R129-G132 PolarHBondContact O-N 3.07Å
133	L	98.3	Very high	97	Very high	16 Å²	16	54 Å²	54	8%	0.084	29%	0.29	C	S	.	.			trans	-99.9	7.2	177	-87.6	73.1	0	0	0	112.9	W128 K131 G157 A160 K161 P253	W128-L133 HydrophobicContact CB-CB 4.06Å; W128-L133 HydrophobicContact CD2-CB 4.35Å; W128-L133 HydrophobicContact CD2-CD2 3.99Å; W128-L133 HydrophobicContact CE3-CB 3.99Å; W128-L133 HydrophobicContact CE3-CD1 3.93Å; W128-L133 HydrophobicContact CE3-CD2 3.5Å; W128-L133 VanDerWaalsContact CE3-CD2 3.5Å; W128-L133 HydrophobicContact CE3-CG 4Å; W128-L133 HydrophobicContact CG-CB 4.41Å; W128-L133 HydrophobicContact CH2-CD2 4.25Å; W128-L133 HydrophobicContact CZ3-CD1 4.08Å; W128-L133 HydrophobicContact CZ3-CD2 3.64Å; W128-L133 HydrophobicContact CZ3-CG 4.38Å; W128-L133 PolarHBondContact O-N 3.15Å; W128-L133 VanDerWaalsContact O-N 3.1Å; K131-L133 VanDerWaalsContact C-N 3.35Å; K131-L133 HydrophobicContact CB-CD1 4.29Å; K131-L133 WeakPolarHBondContact O-CD1 3.44Å; K131-L133 PolarHBondContact O-N 2.91Å; L133-G157 VanDerWaalsContact O-CA 3.3Å; L133-G157 WeakPolarHBondContact O-CA 3.43Å; L133-A160 HydrophobicContact CG-CB 4.24Å; L133-K161 HydrophobicContact CD2-CB 3.93Å; L133-K161 HydrophobicContact CD2-CD 4.49Å; L133-K161 HydrophobicContact CD2-CG 4.38Å; L133-P253 HydrophobicContact CB-CG 4.33Å
134	V	98.7	Very high	97	Very high	16 Å²	16	50.9 Å²	50.9	10%	0.097	27%	0.27	C	S	.	.			trans	-132	117.9	-174.9	-173.9	0	0	0	0	109.6	W128 R129 P253 V289 K303 Y315	W128-V134 HydrophobicContact CB-CG2 3.69Å; R129-V134 HydrophobicContact CG-CB 4.11Å; R129-V134 HydrophobicContact CG-CG1 4.23Å; R129-V134 HydrophobicContact CG-CG2 4.19Å; V134-P253 HydrophobicContact CG2-CG 4.21Å; V134-V289 HydrophobicContact CG1-CG1 4.06Å; V134-V289 HydrophobicContact CG2-CB 3.84Å; V134-V289 HydrophobicContact CG2-CG1 3.72Å; V134-K303 HydrophobicContact CG1-CD 3.78Å; V134-Y315 WeakPolarHBondContact CG1-OH 3.49Å
135	T	98.6	Very high	97.1	Very high	8 Å²	8	44.8 Å²	44.8	5%	0.049	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-67.8	172.4	172.5	58.5	0	0	0	0	111.8	E156 L166 D168 K303	T135-E156 WeakPolarHBondContact CB-OE2 3.06Å; T135-E156 HydrophobicContact CG2-CB 4.05Å; T135-E156 VanDerWaalsContact CG2-CD 3.42Å; T135-E156 HydrophobicContact CG2-CG 3.98Å; T135-E156 WeakPolarHBondContact CG2-OE2 3.12Å; T135-E156 PolarHBondContact OG1-OE2 3.18Å; T135-L166 HydrophobicContact CG2-CD1 3.67Å; T135-L166 HydrophobicContact CG2-CD2 4.38Å; T135-L166 HydrophobicContact CG2-CG 3.86Å; T135-D168 VanDerWaalsContact CB-OD1 3.28Å; T135-D168 WeakPolarHBondContact CB-OD1 3.11Å; T135-D168 WeakPolarHBondContact CG2-OD1 3.02Å; T135-K303 WeakPolarHBondContact O-CE 3.46Å; T135-K303 PolarHBondContact O-NZ 2.78Å; T135-K303 PolarHBondContact OG1-NZ 2.76Å
136	R	98.1	Very high	97.1	Very high	171 Å²	171	41 Å²	41	65%	0.645	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-55.6	153.4	171.9	62.7	-176.5	177.2	147.4	5.6	112.5	D168 K303	R136-D168 IonicContact NE-OD2 2.72Å; R136-D168 PolarHBondContact NE-OD2 3.15Å; R136-D168 IonicContact NH2-OD2 3.18Å; R136-K303 VanDerWaalsContact O-CE 3.3Å; R136-K303 WeakPolarHBondContact O-CE 3.27Å; R136-K303 PolarHBondContact O-NZ 2.98Å
137	V	98.7	Very high	97.1	Very high	18 Å²	18	40.5 Å²	40.5	11%	0.109	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-65.4	138.5	170.5	174.2	0	0	0	0	109.5	K303 T308 Y315	V137-K303 HydrophobicContact CG2-CG 4.15Å; V137-T308 HydrophobicContact CB-CG2 4.04Å; V137-T308 HydrophobicContact CG1-CG2 4.49Å; V137-Y315 HydrophobicContact CG2-CD2 4.08Å; V137-Y315 HydrophobicContact CG2-CE2 3.45Å; V137-Y315 VanDerWaalsContact CG2-CE2 3.45Å
138	K	98.2	Very high	97.1	Very high	24 Å²	24	39.3 Å²	39.3	10%	0.104	21%	0.205	C	C	.	.			trans	-112.5	170.6	-179.9	-57.4	-178.1	-176.2	-72.9	0	110.7	F149 D168 P171 D207 S305 G307	K138-F149 HydrophobicContact CB-CD1 3.77Å; K138-F149 HydrophobicContact CB-CE1 3.47Å; K138-F149 VanDerWaalsContact CB-CE1 3.47Å; K138-F149 HydrophobicContact CD-CD1 3.84Å; K138-F149 HydrophobicContact CD-CE1 3.7Å; K138-F149 HydrophobicContact CG-CD1 4.4Å; K138-F149 HydrophobicContact CG-CE1 4.22Å; K138-D168 WeakPolarHBondContact CE-OD1 3.35Å; K138-D168 IonicContact NZ-OD1 3.92Å; K138-D168 PolarHBondContact NZ-OD1 3.4Å; K138-D168 IonicContact NZ-OD2 3.73Å; K138-P171 HydrophobicContact CD-CG 4.38Å; K138-D207 IonicContact NZ-OD2 2.65Å; K138-D207 PolarHBondContact NZ-OD2 3.23Å; K138-S305 CarbonylContact O-C 3.46Å; K138-G307 WeakPolarHBondContact O-CA 3.44Å; K138-G307 PolarHBondContact O-N 2.99Å
139	M	96.9	Very high	97.1	Very high	77 Å²	77	39.1 Å²	39.1	38%	0.379	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-122.5	114.3	179.4	177.4	63.7	86.4	0	0	110	F85 S305 W306	F85-M139 HydrophobicContact CE1-CE 4.03Å; F85-M139 HydrophobicContact CE2-CE 4.25Å; F85-M139 HydrophobicContact CZ-CE 3.85Å; F85-M139 HydrophobicContact CZ-SD 4.16Å; M139-S305 CarbonylContact C-O 3.56Å; M139-S305 WeakPolarHBondContact CA-O 3.44Å; M139-W306 VanDerWaalsContact CE-O 3.22Å; M139-W306 WeakPolarHBondContact CE-O 3.42Å; M139-W306 VanDerWaalsContact SD-C 3.52Å
140	Q	96	Very high	97.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.191	C	C	.	.			trans	-76.1	-26.1	174.6	75.1	-177.6	77.7	0	0	112.8	F97 Y98 C143 F149 Y212 S305	F97-Q140 PolarHBondContact O-NE2 3.31Å; Y98-Q140 HydrophobicContact CD1-CG 4.19Å; Y98-Q140 PolarHBondContact O-NE2 3.44Å; Q140-C143 PolarHBondContact NE2-O 3.04Å; Q140-F149 HydrophobicContact CB-CD2 3.77Å; Q140-F149 HydrophobicContact CB-CE2 3.37Å; Q140-F149 HydrophobicContact CB-CZ 4.07Å; Q140-Y212 WeakPolarHBondContact O-CE1 3.48Å; Q140-Y212 PolarHBondContact O-OH 3.05Å; Q140-S305 PolarHBondContact N-O 3.24Å; Q140-S305 PolarHBondContact OE1-OG 3.25Å
141	G	92.1	Very high	97.2	Very high	20 Å²	20	28.6 Å²	28.6	21%	0.206	16%	0.155	C	C	.	.			trans	60.1	-149.2	-177.4	0	0	0	0	0	113.2	Y98 C143	Y98-G141 WeakPolarHBondContact CE1-O 3.11Å; G141-C143 PolarHBondContact O-N 3.34Å
142	A	90.9	Very high	97.3	Very high	70 Å²	70	23 Å²	23	58%	0.579	13%	0.132	S	C	*	.	S	Bend	trans	-77.7	42.3	-176.4	0	0	0	0	0	113.7	F97	F97-A142 HydrophobicContact CD1-CB 4.19Å; F97-A142 HydrophobicContact CG-CB 4.34Å
143	C	95.5	Very high	97.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	12%	0.116	C	C	.	.	S	Bend	trans	-136.9	123.7	178.8	169.5	0	0	0	0	109.5	F97 Q140 G141 S145 C186 Y212 G214	F97-C143 CarbonylContact O-C 3.2Å; Q140-C143 PolarHBondContact NE2-O 3.04Å; G141-C143 PolarHBondContact O-N 3.34Å; C143-S145 PolarHBondContact O-N 3.42Å; C143-S145 PolarHBondContact O-OG 2.63Å; C143-S145 VanDerWaalsContact SG-CB 3.6Å; C143-S145 PolarHBondContact SG-OG 2.91Å; C143-C186 HydrophobicContact CB-CB 3.95Å; C143-C186 WeakPolarHBondContact CB-SG 3.46Å; C143-C186 WeakPolarHBondContact SG-CA 3.45Å; C143-C186 WeakPolarHBondContact SG-CB 3.49Å; C143-C186 CovalentContact SG-SG 2.04Å; C143-C186 PolarHBondContact SG-SG 3.44Å; C143-Y212 WeakPolarHBondContact CB-OH 3.14Å; C143-Y212 PolarHBondContact SG-OH 3.32Å; C143-Y212 VanDerWaalsContact SG-OH 3.4Å; C143-G214 WeakPolarHBondContact CB-O 3.43Å
144	G	95.9	Very high	97.4	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.01	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-71.9	67	179.5	0	0	0	0	0	113.4	F97 T100 W147 C186 G188	F97-G144 WeakPolarHBondContact O-CA 3.24Å; F97-G144 PolarHBondContact O-N 2.87Å; T100-G144 WeakPolarHBondContact OG1-CA 3.07Å; T100-G144 PolarHBondContact OG1-O 3.31Å; G144-W147 PolarHBondContact O-NE1 3.02Å; G144-C186 CarbonylContact C-O 3.58Å; G144-C186 WeakPolarHBondContact CA-O 3.34Å; G144-C186 PolarHBondContact N-O 3.04Å; G144-G188 WeakPolarHBondContact O-CA 3.28Å; G144-G188 PolarHBondContact O-N 3.45Å
145	S	97.6	Very high	97.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.			trans	-123.5	15.9	-171.4	55.7	0	0	0	0	112.9	C143 W147 A148 F149 Y212	C143-S145 PolarHBondContact O-N 3.42Å; C143-S145 PolarHBondContact O-OG 2.63Å; C143-S145 VanDerWaalsContact SG-CB 3.6Å; C143-S145 PolarHBondContact SG-OG 2.91Å; S145-W147 PolarHBondContact O-N 3.35Å; S145-A148 WeakPolarHBondContact O-CA 3.26Å; S145-A148 WeakPolarHBondContact O-CB 3.2Å; S145-A148 PolarHBondContact O-N 3.09Å; S145-F149 WeakPolarHBondContact O-CD2 3.37Å; S145-F149 PolarHBondContact O-N 3.27Å; S145-F149 WeakPolarHBondContact OG-CE2 3.49Å; S145-Y212 PolarHBondContact OG-OH 3.45Å
146	C	98.2	Very high	97.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-48.3	-38	176.5	60.1	0	0	0	0	112.5	A148 F149 S150 H284 A285	C146-A148 VanDerWaalsContact C-N 3.32Å; C146-A148 PolarHBondContact O-N 3.49Å; C146-F149 PolarHBondContact O-N 2.61Å; C146-S150 WeakPolarHBondContact O-CB 3.49Å; C146-S150 PolarHBondContact O-N 2.89Å; C146-H284 WeakPolarHBondContact CB-CE1 3.25Å; C146-H284 VanDerWaalsContact CB-ND1 3.3Å; C146-H284 WeakPolarHBondContact CB-ND1 3.41Å; C146-A285 HydrophobicContact CB-CB 4.21Å
147	W	98.5	Very high	97.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.3	-38.1	176.7	62.4	-90.6	0	0	0	112.8	G144 S145 A151 L174 V175 S178 N183 G185 G188 G189 M191 A194 A285	G144-W147 PolarHBondContact O-NE1 3.02Å; S145-W147 PolarHBondContact O-N 3.35Å; W147-A151 VanDerWaalsContact O-CB 3.31Å; W147-A151 WeakPolarHBondContact O-CB 3.41Å; W147-A151 PolarHBondContact O-N 3.16Å; W147-L174 HydrophobicContact CH2-CB 4.34Å; W147-L174 WeakPolarHBondContact CH2-O 3.43Å; W147-L174 HydrophobicContact CZ3-CB 4.06Å; W147-V175 HydrophobicContact CZ2-CG2 4.37Å; W147-S178 VanDerWaalsContact CH2-OG 3.22Å; W147-S178 WeakPolarHBondContact CH2-OG 3.26Å; W147-S178 WeakPolarHBondContact CZ3-OG 3.44Å; W147-N183 HydrophobicContact CH2-CB 3.65Å; W147-N183 HydrophobicContact CZ2-CB 3.91Å; W147-N183 HydrophobicContact CZ3-CB 4.01Å; W147-N183 WeakPolarHBondContact CZ3-ND2 3.46Å; W147-G185 PolarHBondContact NE1-O 3.06Å; W147-G188 VanDerWaalsContact NE1-C 3.32Å; W147-G189 VanDerWaalsContact CG-C 3.5Å; W147-M191 HydrophobicContact CB-SD 4.5Å; W147-A194 HydrophobicContact CE3-CB 4.11Å; W147-A194 HydrophobicContact CZ3-CB 3.9Å; W147-A285 HydrophobicContact CB-CB 4.32Å
148	A	98.6	Very high	97.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-70.9	-42.6	177.1	0	0	0	0	0	110.8	S145 C146 A151 A152 P171 L174 V175	S145-A148 WeakPolarHBondContact O-CA 3.26Å; S145-A148 WeakPolarHBondContact O-CB 3.2Å; S145-A148 PolarHBondContact O-N 3.09Å; C146-A148 VanDerWaalsContact C-N 3.32Å; C146-A148 PolarHBondContact O-N 3.49Å; A148-A151 PolarHBondContact O-N 3.47Å; A148-A152 VanDerWaalsContact O-CB 3.28Å; A148-A152 WeakPolarHBondContact O-CB 3.21Å; A148-A152 PolarHBondContact O-N 3.41Å; A148-P171 HydrophobicContact CB-CB 4.12Å; A148-L174 HydrophobicContact CB-CB 3.91Å; A148-L174 HydrophobicContact CB-CD1 4.23Å; A148-L174 WeakPolarHBondContact O-CD1 3.48Å; A148-V175 HydrophobicContact CB-CG2 3.99Å
149	F	98.9	Very high	97.4	Very high	19 Å²	19	11 Å²	11	8%	0.083	7%	0.072	C	C	.	.	H	α-helix	trans	-64.8	-42	175.8	-75.8	-85.8	0	0	0	112.6	K138 Q140 S145 C146 G153 P171 Y212	K138-F149 HydrophobicContact CB-CD1 3.77Å; K138-F149 HydrophobicContact CB-CE1 3.47Å; K138-F149 VanDerWaalsContact CB-CE1 3.47Å; K138-F149 HydrophobicContact CD-CD1 3.84Å; K138-F149 HydrophobicContact CD-CE1 3.7Å; K138-F149 HydrophobicContact CG-CD1 4.4Å; K138-F149 HydrophobicContact CG-CE1 4.22Å; Q140-F149 HydrophobicContact CB-CD2 3.77Å; Q140-F149 HydrophobicContact CB-CE2 3.37Å; Q140-F149 HydrophobicContact CB-CZ 4.07Å; S145-F149 WeakPolarHBondContact O-CD2 3.37Å; S145-F149 PolarHBondContact O-N 3.27Å; S145-F149 WeakPolarHBondContact OG-CE2 3.49Å; C146-F149 PolarHBondContact O-N 2.61Å; F149-G153 PolarHBondContact O-N 2.64Å; F149-P171 HydrophobicContact CD1-CB 4.14Å; F149-P171 HydrophobicContact CD1-CG 3.69Å; F149-P171 HydrophobicContact CD2-CB 4.22Å; F149-P171 HydrophobicContact CE1-CB 4.07Å; F149-P171 HydrophobicContact CE1-CG 3.56Å; F149-P171 HydrophobicContact CE2-CB 4.13Å; F149-P171 HydrophobicContact CG-CB 4.22Å; F149-P171 HydrophobicContact CG-CG 4.25Å; F149-P171 HydrophobicContact CZ-CB 4.06Å; F149-P171 HydrophobicContact CZ-CG 4.01Å; F149-Y212 HydrophobicContact CE2-CD2 4.13Å; F149-Y212 HydrophobicContact CE2-CE1 4.13Å; F149-Y212 AromaticContact CE2-CE2 3.58Å; F149-Y212 HydrophobicContact CE2-CE2 3.58Å; F149-Y212 AromaticContact CE2-CZ 3.57Å; F149-Y212 AromaticContact CZ-CD1 3.91Å; F149-Y212 HydrophobicContact CZ-CD1 3.91Å; F149-Y212 AromaticContact CZ-CD2 3.78Å; F149-Y212 HydrophobicContact CZ-CD2 3.78Å; F149-Y212 AromaticContact CZ-CE1 3.82Å; F149-Y212 HydrophobicContact CZ-CE1 3.82Å; F149-Y212 AromaticContact CZ-CE2 3.68Å; F149-Y212 HydrophobicContact CZ-CE2 3.68Å; F149-Y212 AromaticContact CZ-CG 3.88Å; F149-Y212 HydrophobicContact CZ-CG 3.88Å; F149-Y212 AromaticContact CZ-CZ 3.68Å
150	S	98.9	Very high	97.5	Very high	4 Å²	4	7.8 Å²	7.8	3%	0.028	6%	0.057	C	C	.	.	H	α-helix	trans	-62.2	-45.3	175.4	177.9	0	0	0	0	111.2	C146 G153 A154 S255 V286	C146-S150 WeakPolarHBondContact O-CB 3.49Å; C146-S150 PolarHBondContact O-N 2.89Å; S150-G153 PolarHBondContact O-N 3.28Å; S150-A154 PolarHBondContact O-N 2.84Å; S150-A154 VanDerWaalsContact O-N 3.16Å; S150-S255 PolarHBondContact O-OG 3.49Å; S150-S255 WeakPolarHBondContact OG-CA 3.23Å; S150-S255 WeakPolarHBondContact OG-CB 3.49Å; S150-S255 PolarHBondContact OG-OG 3.06Å; S150-V286 PolarHBondContact OG-O 3.21Å
151	A	98.8	Very high	97.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.5	-47.9	177.7	0	0	0	0	0	112.5	W147 A148 G153 A154 L155 L174 M191 A194 F195	W147-A151 VanDerWaalsContact O-CB 3.31Å; W147-A151 WeakPolarHBondContact O-CB 3.41Å; W147-A151 PolarHBondContact O-N 3.16Å; A148-A151 PolarHBondContact O-N 3.47Å; A151-G153 VanDerWaalsContact C-N 3.31Å; A151-G153 PolarHBondContact O-N 2.91Å; A151-A154 PolarHBondContact O-N 2.91Å; A151-L155 WeakPolarHBondContact O-CG 3.36Å; A151-L155 PolarHBondContact O-N 3.46Å; A151-L174 HydrophobicContact CB-CD1 3.99Å; A151-M191 HydrophobicContact CB-CB 4.17Å; A151-M191 HydrophobicContact CB-CG 4.5Å; A151-A194 HydrophobicContact CB-CB 3.79Å; A151-F195 HydrophobicContact CB-CD1 4.2Å; A151-F195 HydrophobicContact CB-CE1 3.61Å; A151-F195 HydrophobicContact CB-CZ 4.06Å; A151-F195 WeakPolarHBondContact O-CE1 3.43Å
152	A	98.8	Very high	97.7	Very high	2 Å²	2	17.7 Å²	17.7	2%	0.017	10%	0.095	C	C	.	.	H	α-helix	trans	-56.2	-46.7	175.5	0	0	0	0	0	110.7	A148 A154 L155 E156 L169 P171 L174	A148-A152 VanDerWaalsContact O-CB 3.28Å; A148-A152 WeakPolarHBondContact O-CB 3.21Å; A148-A152 PolarHBondContact O-N 3.41Å; A152-A154 VanDerWaalsContact C-N 3.34Å; A152-A154 PolarHBondContact O-N 3.07Å; A152-L155 WeakPolarHBondContact O-CB 3.31Å; A152-L155 PolarHBondContact O-N 2.91Å; A152-L155 VanDerWaalsContact O-N 3.13Å; A152-E156 WeakPolarHBondContact O-CB 3.41Å; A152-E156 WeakPolarHBondContact O-CG 3.42Å; A152-E156 PolarHBondContact O-N 3.4Å; A152-L169 HydrophobicContact CB-CB 4.42Å; A152-P171 HydrophobicContact CB-CG 4.34Å; A152-L174 HydrophobicContact CB-CD1 4.35Å
153	G	98.8	Very high	98	Very high	4 Å²	4	17.8 Å²	17.8	4%	0.041	9%	0.088	C	C	.	.	H	α-helix	trans	-59.7	-37.5	178.5	0	0	0	0	0	114.7	F149 S150 A151 E156 G157	F149-G153 PolarHBondContact O-N 2.64Å; S150-G153 PolarHBondContact O-N 3.28Å; A151-G153 VanDerWaalsContact C-N 3.31Å; A151-G153 PolarHBondContact O-N 2.91Å; G153-E156 WeakPolarHBondContact CA-OE2 3.23Å; G153-G157 PolarHBondContact O-N 2.91Å; G153-G157 VanDerWaalsContact O-N 3.16Å
154	A	98.8	Very high	98	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-71.2	-39.2	175.2	0	0	0	0	0	112	S150 A151 A152 G157 Q158 F195 S255 L287 P335	S150-A154 PolarHBondContact O-N 2.84Å; S150-A154 VanDerWaalsContact O-N 3.16Å; A151-A154 PolarHBondContact O-N 2.91Å; A152-A154 VanDerWaalsContact C-N 3.34Å; A152-A154 PolarHBondContact O-N 3.07Å; A154-G157 PolarHBondContact O-N 2.78Å; A154-Q158 PolarHBondContact O-N 2.95Å; A154-Q158 VanDerWaalsContact O-N 3.13Å; A154-F195 HydrophobicContact CB-CE1 4.38Å; A154-F195 HydrophobicContact CB-CZ 4.05Å; A154-S255 VanDerWaalsContact CB-OG 3.31Å; A154-S255 WeakPolarHBondContact CB-OG 3.42Å; A154-L287 HydrophobicContact CB-CD1 3.83Å; A154-P335 HydrophobicContact CB-CG 4.09Å
155	L	98.8	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-42.7	173.3	-72.5	163.7	0	0	0	111.4	A151 A152 G157 Q158 L159 L169 F195 V198 I204 C230 P335 M337	A151-L155 WeakPolarHBondContact O-CG 3.36Å; A151-L155 PolarHBondContact O-N 3.46Å; A152-L155 WeakPolarHBondContact O-CB 3.31Å; A152-L155 PolarHBondContact O-N 2.91Å; A152-L155 VanDerWaalsContact O-N 3.13Å; L155-G157 VanDerWaalsContact C-N 3.32Å; L155-G157 PolarHBondContact O-N 3.38Å; L155-Q158 PolarHBondContact O-N 3.38Å; L155-L159 WeakPolarHBondContact O-CB 3.22Å; L155-L159 PolarHBondContact O-N 2.83Å; L155-L169 HydrophobicContact CB-CD1 3.48Å; L155-L169 VanDerWaalsContact CB-CD1 3.48Å; L155-F195 HydrophobicContact CD1-CD1 4.23Å; L155-F195 HydrophobicContact CD1-CE1 4.37Å; L155-F195 HydrophobicContact CD2-CD1 4.41Å; L155-F195 HydrophobicContact CG-CD1 4.16Å; L155-F195 HydrophobicContact CG-CE1 4.07Å; L155-V198 HydrophobicContact CD1-CG2 4.04Å; L155-I204 HydrophobicContact CD1-CD1 4.19Å; L155-C230 HydrophobicContact CD2-CB 3.88Å; L155-P335 HydrophobicContact CB-CG 4.48Å; L155-P335 HydrophobicContact CD2-CB 3.54Å; L155-P335 HydrophobicContact CD2-CG 3.64Å; L155-P335 HydrophobicContact CG-CB 4.24Å; L155-P335 HydrophobicContact CG-CG 3.88Å; L155-M337 HydrophobicContact CB-CE 4.25Å; L155-M337 HydrophobicContact CD2-CE 4.06Å; L155-M337 WeakPolarHBondContact O-CE 3.47Å
156	E	98.8	Very high	98	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.014	17%	0.172	C	C	.	.	H	α-helix	trans	-57.6	-45	175.8	-70.5	168.9	168.1	0	0	111.3	T135 A152 G153 Q158 L159 A160 V167 D168 L169	T135-E156 WeakPolarHBondContact CB-OE2 3.06Å; T135-E156 HydrophobicContact CG2-CB 4.05Å; T135-E156 VanDerWaalsContact CG2-CD 3.42Å; T135-E156 HydrophobicContact CG2-CG 3.98Å; T135-E156 WeakPolarHBondContact CG2-OE2 3.12Å; T135-E156 PolarHBondContact OG1-OE2 3.18Å; A152-E156 WeakPolarHBondContact O-CB 3.41Å; A152-E156 WeakPolarHBondContact O-CG 3.42Å; A152-E156 PolarHBondContact O-N 3.4Å; G153-E156 WeakPolarHBondContact CA-OE2 3.23Å; E156-Q158 PolarHBondContact O-N 2.8Å; E156-L159 WeakPolarHBondContact O-CB 3.41Å; E156-L159 PolarHBondContact O-N 3.4Å; E156-A160 WeakPolarHBondContact O-CB 3.45Å; E156-A160 PolarHBondContact O-N 3.32Å; E156-V167 WeakPolarHBondContact CG-O 3.46Å; E156-D168 WeakPolarHBondContact OE1-CA 3.49Å; E156-L169 HydrophobicContact CG-CB 3.92Å; E156-L169 HydrophobicContact CG-CD1 3.92Å; E156-L169 HydrophobicContact CG-CG 3.67Å; E156-L169 PolarHBondContact OE1-N 3.44Å
157	G	98.4	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-42.2	176.7	0	0	0	0	0	112.9	L133 G153 A154 L155 K161	L133-G157 VanDerWaalsContact O-CA 3.3Å; L133-G157 WeakPolarHBondContact O-CA 3.43Å; G153-G157 PolarHBondContact O-N 2.91Å; G153-G157 VanDerWaalsContact O-N 3.16Å; A154-G157 PolarHBondContact O-N 2.78Å; L155-G157 VanDerWaalsContact C-N 3.32Å; L155-G157 PolarHBondContact O-N 3.38Å; G157-K161 WeakPolarHBondContact O-CB 3.42Å; G157-K161 PolarHBondContact O-N 2.85Å
158	Q	98.3	Very high	98	Very high	17 Å²	17	36 Å²	36	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-68.2	-38.2	175.1	-67	-56.2	-58.4	0	0	112.5	A154 L155 E156 K161 K162 I251 P335 M337	A154-Q158 PolarHBondContact O-N 2.95Å; A154-Q158 VanDerWaalsContact O-N 3.13Å; L155-Q158 PolarHBondContact O-N 3.38Å; E156-Q158 PolarHBondContact O-N 2.8Å; Q158-K161 PolarHBondContact O-N 2.7Å; Q158-K162 WeakPolarHBondContact O-CB 3.42Å; Q158-K162 PolarHBondContact O-N 2.93Å; Q158-I251 PolarHBondContact NE2-O 2.94Å; Q158-P335 HydrophobicContact CG-CG 4.06Å; Q158-P335 WeakPolarHBondContact CG-O 3.5Å; Q158-M337 HydrophobicContact CB-CE 3.99Å; Q158-M337 HydrophobicContact CB-CG 3.82Å; Q158-M337 HydrophobicContact CB-SD 4Å
159	L	98.2	Very high	98	Very high	13 Å²	13	36 Å²	36	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-60	-50.1	176	-178.2	67.1	0	0	0	110.6	L155 E156 K161 K162 T163 V167 L169 A228 M337	L155-L159 WeakPolarHBondContact O-CB 3.22Å; L155-L159 PolarHBondContact O-N 2.83Å; E156-L159 WeakPolarHBondContact O-CB 3.41Å; E156-L159 PolarHBondContact O-N 3.4Å; L159-K161 VanDerWaalsContact C-N 3.34Å; L159-K161 PolarHBondContact O-N 2.94Å; L159-K162 PolarHBondContact O-N 3.21Å; L159-T163 HydrophobicContact CD1-CG2 3.87Å; L159-T163 WeakPolarHBondContact O-CB 3.39Å; L159-T163 PolarHBondContact O-N 3.25Å; L159-T163 PolarHBondContact O-OG1 3.48Å; L159-V167 HydrophobicContact CD2-CB 3.77Å; L159-V167 HydrophobicContact CD2-CG2 3.98Å; L159-L169 HydrophobicContact CD2-CD2 4.36Å; L159-A228 HydrophobicContact CD1-CB 4.09Å; L159-A228 HydrophobicContact CD2-CB 4.23Å; L159-M337 WeakPolarHBondContact CA-SD 3.32Å; L159-M337 HydrophobicContact CB-CE 3.85Å; L159-M337 HydrophobicContact CB-SD 3.95Å; L159-M337 HydrophobicContact CD1-SD 4.2Å; L159-M337 PolarHBondContact N-SD 3.26Å; L159-M337 VanDerWaalsContact N-SD 3.37Å
160	A	98.1	Very high	98	Very high	8 Å²	8	35.1 Å²	35.1	7%	0.066	19%	0.193	C	C	.	.	H	α-helix	trans	-60.7	-44.4	178.1	0	0	0	0	0	111.1	L133 E156 K162 G164 K165 L166	L133-A160 HydrophobicContact CG-CB 4.24Å; E156-A160 WeakPolarHBondContact O-CB 3.45Å; E156-A160 PolarHBondContact O-N 3.32Å; A160-K162 PolarHBondContact O-N 3.4Å; A160-G164 WeakPolarHBondContact O-CA 3.2Å; A160-G164 PolarHBondContact O-N 3.38Å; A160-K165 WeakPolarHBondContact CA-O 3.27Å; A160-L166 HydrophobicContact CB-CB 4.28Å; A160-L166 HydrophobicContact CB-CD1 3.86Å
161	K	96.8	Very high	98	Very high	100 Å²	100	34.9 Å²	34.9	44%	0.435	19%	0.191	S	C	.	.	H	α-helix	trans	-61.8	-42	177.5	-169.6	179.1	-177.4	-173.8	0	113	L133 G157 Q158 L159 T250 I251	L133-K161 HydrophobicContact CD2-CB 3.93Å; L133-K161 HydrophobicContact CD2-CD 4.49Å; L133-K161 HydrophobicContact CD2-CG 4.38Å; G157-K161 WeakPolarHBondContact O-CB 3.42Å; G157-K161 PolarHBondContact O-N 2.85Å; Q158-K161 PolarHBondContact O-N 2.7Å; L159-K161 VanDerWaalsContact C-N 3.34Å; L159-K161 PolarHBondContact O-N 2.94Å; K161-T250 PolarHBondContact NZ-O 3Å; K161-I251 VanDerWaalsContact CD-O 3.3Å; K161-I251 WeakPolarHBondContact CD-O 3.37Å; K161-I251 PolarHBondContact NZ-O 3.43Å
162	K	96.4	Very high	98	Very high	129 Å²	129	34.9 Å²	34.9	56%	0.561	19%	0.191	S	C	*	.	H	α-helix	trans	-79.5	-36.5	-176.4	-177.1	167.7	-177.6	163.6	0	113.2	Q158 L159 A160 M337	Q158-K162 WeakPolarHBondContact O-CB 3.42Å; Q158-K162 PolarHBondContact O-N 2.93Å; L159-K162 PolarHBondContact O-N 3.21Å; A160-K162 PolarHBondContact O-N 3.4Å; K162-M337 HydrophobicContact CD-CB 3.52Å; K162-M337 PolarHBondContact NZ-O 3.19Å; K162-M337 PolarHBondContact NZ-OXT 3.42Å
163	T	96.4	Very high	98	Very high	72 Å²	72	34.8 Å²	34.8	44%	0.442	19%	0.191	S	C	.	.	H	α-helix	trans	-112.6	-13.1	-168.9	70.4	0	0	0	0	114.1	L159 K165	L159-T163 HydrophobicContact CD1-CG2 3.87Å; L159-T163 WeakPolarHBondContact O-CB 3.39Å; L159-T163 PolarHBondContact O-N 3.25Å; L159-T163 PolarHBondContact O-OG1 3.48Å; T163-K165 PolarHBondContact O-N 2.87Å; T163-K165 PolarHBondContact OG1-N 2.67Å; T163-K165 VanDerWaalsContact OG1-N 3.16Å
164	G	96.5	Very high	98	Very high	72 Å²	72	34.6 Å²	34.6	74%	0.742	19%	0.189	S	C	*	.	S	Bend	trans	72.5	4.7	-169.9	0	0	0	0	0	114.2	A160	A160-G164 WeakPolarHBondContact O-CA 3.2Å; A160-G164 PolarHBondContact O-N 3.38Å
165	K	95.9	Very high	98	Very high	148 Å²	148	34.6 Å²	34.6	64%	0.643	19%	0.189	S	C	*	.			trans	-112.7	119	-178.8	-63	-178	-178.9	179.6	0	110.8	A160 T163 V167	A160-K165 WeakPolarHBondContact CA-O 3.27Å; T163-K165 PolarHBondContact O-N 2.87Å; T163-K165 PolarHBondContact OG1-N 2.67Å; T163-K165 VanDerWaalsContact OG1-N 3.16Å; K165-V167 HydrophobicContact CB-CG2 4.43Å
166	L	97.6	Very high	98	Very high	74 Å²	74	35 Å²	35	39%	0.387	19%	0.191	S	C	.	.			trans	-88.3	116.5	171.9	-172.9	66.4	0	0	0	109.1	T135 A160	T135-L166 HydrophobicContact CG2-CD1 3.67Å; T135-L166 HydrophobicContact CG2-CD2 4.38Å; T135-L166 HydrophobicContact CG2-CG 3.86Å; A160-L166 HydrophobicContact CB-CB 4.28Å; A160-L166 HydrophobicContact CB-CD1 3.86Å
167	V	98.1	Very high	98	Very high	50 Å²	50	35.4 Å²	35.4	30%	0.303	19%	0.193	S	C	.	.			trans	-128.6	133.5	-178	-178.4	0	0	0	0	108.1	E156 L159 K165 L169 A227	E156-V167 WeakPolarHBondContact CG-O 3.46Å; L159-V167 HydrophobicContact CD2-CB 3.77Å; L159-V167 HydrophobicContact CD2-CG2 3.98Å; K165-V167 HydrophobicContact CB-CG2 4.43Å; V167-L169 PolarHBondContact O-N 2.76Å; V167-A227 HydrophobicContact CG1-CB 4.24Å
168	D	98.4	Very high	98	Very high	41 Å²	41	35.4 Å²	35.4	22%	0.219	19%	0.193	C	C	.	.			trans	-65.7	119.4	170.6	-81.3	-44.1	0	0	0	109.7	T135 R136 K138 E156 S206 D207	T135-D168 VanDerWaalsContact CB-OD1 3.28Å; T135-D168 WeakPolarHBondContact CB-OD1 3.11Å; T135-D168 WeakPolarHBondContact CG2-OD1 3.02Å; R136-D168 IonicContact NE-OD2 2.72Å; R136-D168 PolarHBondContact NE-OD2 3.15Å; R136-D168 IonicContact NH2-OD2 3.18Å; K138-D168 WeakPolarHBondContact CE-OD1 3.35Å; K138-D168 IonicContact NZ-OD1 3.92Å; K138-D168 PolarHBondContact NZ-OD1 3.4Å; K138-D168 IonicContact NZ-OD2 3.73Å; E156-D168 WeakPolarHBondContact OE1-CA 3.49Å; D168-S206 WeakPolarHBondContact O-CA 3.35Å; D168-D207 HydrophobicContact CB-CB 3.77Å; D168-D207 PolarHBondContact O-N 3.32Å
169	L	98.8	Very high	97.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-95.9	148.7	177.4	-63.1	-178.7	0	0	0	110.8	A152 L155 E156 L159 V167 P171 I204 A227 A228	A152-L169 HydrophobicContact CB-CB 4.42Å; L155-L169 HydrophobicContact CB-CD1 3.48Å; L155-L169 VanDerWaalsContact CB-CD1 3.48Å; E156-L169 HydrophobicContact CG-CB 3.92Å; E156-L169 HydrophobicContact CG-CD1 3.92Å; E156-L169 HydrophobicContact CG-CG 3.67Å; E156-L169 PolarHBondContact OE1-N 3.44Å; L159-L169 HydrophobicContact CD2-CD2 4.36Å; V167-L169 PolarHBondContact O-N 2.76Å; L169-P171 WeakPolarHBondContact O-CD 3.42Å; L169-I204 HydrophobicContact CB-CD1 4.32Å; L169-I204 HydrophobicContact CD1-CG2 4.05Å; L169-I204 HydrophobicContact CD2-CG2 4.26Å; L169-A227 HydrophobicContact CD2-CB 3.59Å; L169-A228 HydrophobicContact CD1-CB 3.75Å; L169-A228 HydrophobicContact CD2-CB 3.77Å; L169-A228 HydrophobicContact CG-CB 4.43Å
170	S	98.8	Very high	97.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.			trans	-77.1	112	-172	177.8	0	0	0	0	112.9	Q172 N173 D205 Y210	S170-Q172 PolarHBondContact O-N 2.85Å; S170-Q172 PolarHBondContact OG-N 3.05Å; S170-N173 WeakPolarHBondContact OG-CB 3.46Å; S170-N173 PolarHBondContact OG-N 3.31Å; S170-D205 WeakPolarHBondContact CB-O 3.42Å; S170-D205 PolarHBondContact N-O 3.4Å; S170-Y210 VanDerWaalsContact CB-O 3.3Å; S170-Y210 WeakPolarHBondContact CB-O 3.19Å; S170-Y210 PolarHBondContact OG-O 3.29Å
171	P	98.8	Very high	97.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.2	-26.9	168.8	-13.9	32.8	0	0	0	110.8	K138 A148 F149 A152 L169 L174 V175 Y212	K138-P171 HydrophobicContact CD-CG 4.38Å; A148-P171 HydrophobicContact CB-CB 4.12Å; F149-P171 HydrophobicContact CD1-CB 4.14Å; F149-P171 HydrophobicContact CD1-CG 3.69Å; F149-P171 HydrophobicContact CD2-CB 4.22Å; F149-P171 HydrophobicContact CE1-CB 4.07Å; F149-P171 HydrophobicContact CE1-CG 3.56Å; F149-P171 HydrophobicContact CE2-CB 4.13Å; F149-P171 HydrophobicContact CG-CB 4.22Å; F149-P171 HydrophobicContact CG-CG 4.25Å; F149-P171 HydrophobicContact CZ-CB 4.06Å; F149-P171 HydrophobicContact CZ-CG 4.01Å; A152-P171 HydrophobicContact CB-CG 4.34Å; L169-P171 WeakPolarHBondContact O-CD 3.42Å; P171-L174 WeakPolarHBondContact O-CB 3.3Å; P171-L174 PolarHBondContact O-N 2.76Å; P171-L174 VanDerWaalsContact O-N 3.15Å; P171-V175 WeakPolarHBondContact O-CG2 3.46Å; P171-V175 PolarHBondContact O-N 3.43Å; P171-Y212 HydrophobicContact CB-CD2 4.21Å
172	Q	98.8	Very high	97.6	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-40.7	178.2	-166.8	63.4	54.4	0	0	111.8	S170 L174 V175 D176 Y210 Y212 T213 R215	S170-Q172 PolarHBondContact O-N 2.85Å; S170-Q172 PolarHBondContact OG-N 3.05Å; Q172-L174 PolarHBondContact O-N 2.8Å; Q172-V175 PolarHBondContact O-N 3.42Å; Q172-V175 VanDerWaalsContact O-N 3.15Å; Q172-D176 WeakPolarHBondContact CG-OD2 3.46Å; Q172-D176 PolarHBondContact NE2-OD1 2.04Å; Q172-D176 PolarHBondContact NE2-OD2 3.19Å; Q172-D176 PolarHBondContact O-N 3.43Å; Q172-Y210 HydrophobicContact CB-CD1 3.94Å; Q172-Y210 HydrophobicContact CB-CE1 4.02Å; Q172-Y210 HydrophobicContact CG-CD1 3.81Å; Q172-Y210 HydrophobicContact CG-CE1 3.44Å; Q172-Y210 VanDerWaalsContact CG-CE1 3.44Å; Q172-Y212 HydrophobicContact CB-CD2 4.27Å; Q172-T213 PolarHBondContact OE1-OG1 3.43Å; Q172-T213 VanDerWaalsContact OE1-OG1 3.07Å; Q172-R215 PolarHBondContact NE2-O 3.35Å
173	N	98.8	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55	-42.8	172.7	-178.1	-176.4	0	0	0	110.5	S170 C177 Y197 I204 D205 Y210 Y221	S170-N173 WeakPolarHBondContact OG-CB 3.46Å; S170-N173 PolarHBondContact OG-N 3.31Å; N173-C177 PolarHBondContact ND2-SG 2.99Å; N173-C177 WeakPolarHBondContact O-CB 3.46Å; N173-C177 PolarHBondContact O-N 2.87Å; N173-C177 PolarHBondContact O-SG 3.28Å; N173-Y197 PolarHBondContact ND2-OH 3.26Å; N173-I204 HydrophobicContact CB-CG1 4.36Å; N173-I204 WeakPolarHBondContact OD1-CG1 3.22Å; N173-D205 PolarHBondContact OD1-N 2.88Å; N173-Y210 HydrophobicContact CB-CD2 3.72Å; N173-Y210 HydrophobicContact CB-CE2 4.03Å; N173-Y210 HydrophobicContact CB-CG 4.32Å; N173-Y221 WeakPolarHBondContact OD1-CD2 3.38Å
174	L	98.8	Very high	97.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.3	-46.1	176.5	-60	178.1	0	0	0	111.8	W147 A148 A151 A152 P171 Q172 D176 S178 A194 Y197 V198 I204	W147-L174 HydrophobicContact CH2-CB 4.34Å; W147-L174 WeakPolarHBondContact CH2-O 3.43Å; W147-L174 HydrophobicContact CZ3-CB 4.06Å; A148-L174 HydrophobicContact CB-CB 3.91Å; A148-L174 HydrophobicContact CB-CD1 4.23Å; A148-L174 WeakPolarHBondContact O-CD1 3.48Å; A151-L174 HydrophobicContact CB-CD1 3.99Å; A152-L174 HydrophobicContact CB-CD1 4.35Å; P171-L174 WeakPolarHBondContact O-CB 3.3Å; P171-L174 PolarHBondContact O-N 2.76Å; P171-L174 VanDerWaalsContact O-N 3.15Å; Q172-L174 PolarHBondContact O-N 2.8Å; L174-D176 VanDerWaalsContact C-N 3.34Å; L174-D176 PolarHBondContact O-N 3.23Å; L174-S178 VanDerWaalsContact O-CB 3.3Å; L174-S178 WeakPolarHBondContact O-CB 3.16Å; L174-S178 PolarHBondContact O-N 2.75Å; L174-S178 VanDerWaalsContact O-N 3.09Å; L174-S178 PolarHBondContact O-OG 2.96Å; L174-A194 HydrophobicContact CD1-CB 4.13Å; L174-A194 HydrophobicContact CD2-CB 4.12Å; L174-Y197 HydrophobicContact CD2-CD1 3.67Å; L174-Y197 HydrophobicContact CD2-CE1 3.98Å; L174-V198 HydrophobicContact CD2-CG2 3.75Å; L174-I204 HydrophobicContact CD1-CD1 4.13Å; L174-I204 HydrophobicContact CD2-CD1 3.77Å; L174-I204 HydrophobicContact CG-CD1 3.82Å
175	V	98.6	Very high	97.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-53.8	-49.7	178.2	167.4	0	0	0	0	111	W147 A148 P171 Q172 Y212	W147-V175 HydrophobicContact CZ2-CG2 4.37Å; A148-V175 HydrophobicContact CB-CG2 3.99Å; P171-V175 WeakPolarHBondContact O-CG2 3.46Å; P171-V175 PolarHBondContact O-N 3.43Å; Q172-V175 PolarHBondContact O-N 3.42Å; Q172-V175 VanDerWaalsContact O-N 3.15Å; V175-Y212 HydrophobicContact CG2-CE2 4.49Å
176	D	98.8	Very high	97.6	Very high	9 Å²	9	32.7 Å²	32.7	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-82.7	-33.3	-171.9	-62.8	-22.6	0	0	0	113.1	Q172 L174 Y210 Q217 C219	Q172-D176 WeakPolarHBondContact CG-OD2 3.46Å; Q172-D176 PolarHBondContact NE2-OD1 2.04Å; Q172-D176 PolarHBondContact NE2-OD2 3.19Å; Q172-D176 PolarHBondContact O-N 3.43Å; L174-D176 VanDerWaalsContact C-N 3.34Å; L174-D176 PolarHBondContact O-N 3.23Å; D176-Y210 WeakPolarHBondContact CB-OH 3.26Å; D176-Y210 PolarHBondContact OD2-OH 2.76Å; D176-Q217 WeakPolarHBondContact CB-O 3.34Å; D176-Q217 VanDerWaalsContact CG-O 3.26Å; D176-Q217 PolarHBondContact OD1-N 2.86Å; D176-C219 HydrophobicContact CB-CB 4.44Å
177	C	98.6	Very high	97.5	Very high	10 Å²	10	34.8 Å²	34.8	7%	0.068	18%	0.18	C	C	.	.	H	α-helix	trans	-103.8	-23.6	-167.3	-56	0	0	0	0	114.8	N173 T179 Y197 C219	N173-C177 PolarHBondContact ND2-SG 2.99Å; N173-C177 WeakPolarHBondContact O-CB 3.46Å; N173-C177 PolarHBondContact O-N 2.87Å; N173-C177 PolarHBondContact O-SG 3.28Å; C177-T179 PolarHBondContact O-N 2.9Å; C177-Y197 HydrophobicContact CB-CD2 4.43Å; C177-Y197 HydrophobicContact CB-CE1 4.05Å; C177-Y197 HydrophobicContact CB-CE2 3.56Å; C177-Y197 VanDerWaalsContact CB-OH 3.24Å; C177-Y197 WeakPolarHBondContact CB-OH 3.09Å; C177-C219 HydrophobicContact CB-CB 3.89Å; C177-C219 WeakPolarHBondContact CB-SG 3.49Å; C177-C219 VanDerWaalsContact SG-CA 3.57Å; C177-C219 WeakPolarHBondContact SG-CB 3.43Å; C177-C219 CovalentContact SG-SG 2.03Å; C177-C219 PolarHBondContact SG-SG 3.08Å
178	S	98	Very high	97.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-85.2	11.5	-175.8	72.9	0	0	0	0	114.2	W147 L174 K180 Y181 N183	W147-S178 VanDerWaalsContact CH2-OG 3.22Å; W147-S178 WeakPolarHBondContact CH2-OG 3.26Å; W147-S178 WeakPolarHBondContact CZ3-OG 3.44Å; L174-S178 VanDerWaalsContact O-CB 3.3Å; L174-S178 WeakPolarHBondContact O-CB 3.16Å; L174-S178 PolarHBondContact O-N 2.75Å; L174-S178 VanDerWaalsContact O-N 3.09Å; L174-S178 PolarHBondContact O-OG 2.96Å; S178-K180 VanDerWaalsContact C-N 3.33Å; S178-K180 PolarHBondContact O-N 2.99Å; S178-Y181 WeakPolarHBondContact O-CB 3.4Å; S178-Y181 PolarHBondContact O-N 3.05Å; S178-N183 PolarHBondContact OG-ND2 2.91Å
179	T	96.4	Very high	97.3	Very high	70 Å²	70	30.7 Å²	30.7	43%	0.429	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-61.9	-38.1	-176.4	51.9	0	0	0	0	113.4	C177 Y181 G182 N183	C177-T179 PolarHBondContact O-N 2.9Å; T179-Y181 PolarHBondContact O-N 3.39Å; T179-Y181 VanDerWaalsContact O-N 3.08Å; T179-G182 PolarHBondContact O-N 2.74Å; T179-N183 VanDerWaalsContact CA-O 3.26Å; T179-N183 WeakPolarHBondContact CA-O 3.45Å
180	K	96.4	Very high	97.3	Very high	197 Å²	197	30.7 Å²	30.7	86%	0.857	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-61.7	-16.7	175	-66.2	-178.8	-179.1	175.1	0	113.9	S178 G182	S178-K180 VanDerWaalsContact C-N 3.33Å; S178-K180 PolarHBondContact O-N 2.99Å; K180-G182 VanDerWaalsContact C-N 3.32Å
181	Y	95.4	Very high	97.2	Very high	70 Å²	70	30.7 Å²	30.7	28%	0.275	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-92.6	4.9	178.2	-62.7	-94	0	0	0	112.4	S178 T179 K193 Q196 Y197 D200	S178-Y181 WeakPolarHBondContact O-CB 3.4Å; S178-Y181 PolarHBondContact O-N 3.05Å; T179-Y181 PolarHBondContact O-N 3.39Å; T179-Y181 VanDerWaalsContact O-N 3.08Å; Y181-K193 WeakPolarHBondContact O-CD 3.47Å; Y181-K193 WeakPolarHBondContact O-CE 3.48Å; Y181-K193 WeakPolarHBondContact O-CG 3.42Å; Y181-Q196 HydrophobicContact CD1-CB 4.03Å; Y181-Q196 HydrophobicContact CD1-CG 3.79Å; Y181-Q196 HydrophobicContact CE1-CB 4.34Å; Y181-Q196 HydrophobicContact CE1-CG 3.78Å; Y181-Y197 HydrophobicContact CD2-CD2 4.14Å; Y181-Y197 HydrophobicContact CD2-CG 4.35Å; Y181-Y197 AromaticContact CE2-CD2 3.72Å; Y181-Y197 HydrophobicContact CE2-CD2 3.72Å; Y181-Y197 HydrophobicContact CE2-CG 4.26Å; Y181-D200 HydrophobicContact CE1-CB 4.41Å; Y181-D200 WeakPolarHBondContact CE1-OD2 3.38Å; Y181-D200 WeakPolarHBondContact OH-CB 3.47Å; Y181-D200 PolarHBondContact OH-OD2 3.35Å
182	G	95	Very high	97.1	Very high	25 Å²	25	31.7 Å²	31.7	26%	0.258	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	21.7	178.9	0	0	0	0	0	114	T179 K180 H184 K193	T179-G182 PolarHBondContact O-N 2.74Å; K180-G182 VanDerWaalsContact C-N 3.32Å; G182-H184 PolarHBondContact O-CE1 2.82Å; G182-K193 PolarHBondContact O-NZ 2.96Å
183	N	97	Very high	97	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.172	C	C	.	.			trans	-88	156.2	159.4	-66.3	-35.3	0	0	0	109.2	W147 S178 T179 G189 F190 K193	W147-N183 HydrophobicContact CH2-CB 3.65Å; W147-N183 HydrophobicContact CZ2-CB 3.91Å; W147-N183 HydrophobicContact CZ3-CB 4.01Å; W147-N183 WeakPolarHBondContact CZ3-ND2 3.46Å; S178-N183 PolarHBondContact OG-ND2 2.91Å; T179-N183 VanDerWaalsContact CA-O 3.26Å; T179-N183 WeakPolarHBondContact CA-O 3.45Å; N183-G189 WeakPolarHBondContact OD1-CA 3.43Å; N183-F190 PolarHBondContact OD1-N 3.32Å; N183-F190 PolarHBondContact OD1-O 3.25Å; N183-K193 WeakPolarHBondContact ND2-CB 3.43Å; N183-K193 WeakPolarHBondContact OD1-CD 3.23Å
184	H	96.7	Very high	97	Very high	118 Å²	118	33.9 Å²	33.9	55%	0.546	17%	0.172	S	C	.	.			trans	-127.1	36	-174	-55.6	94.8	0	0	0	111.5	G182 C186 N187 G188	G182-H184 PolarHBondContact O-CE1 2.82Å; H184-C186 PolarHBondContact O-N 2.84Å; H184-N187 HydrophobicContact CB-CB 4.03Å; H184-N187 WeakPolarHBondContact O-CA 3.19Å; H184-N187 WeakPolarHBondContact O-CB 3.07Å; H184-N187 PolarHBondContact O-N 3.26Å; H184-G188 WeakPolarHBondContact CA-O 3.47Å; H184-G188 PolarHBondContact N-O 3.47Å
185	G	96.3	Very high	96.9	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.01	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-124.2	178.4	0	0	0	0	0	112.3	W147 N187 G188 D216	W147-G185 PolarHBondContact NE1-O 3.06Å; G185-N187 PolarHBondContact O-N 2.77Å; G185-G188 PolarHBondContact O-N 2.92Å; G185-D216 WeakPolarHBondContact CA-OD1 3.39Å
186	C	96.6	Very high	96.9	Very high	20 Å²	20	36.8 Å²	36.8	14%	0.135	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.8	175.3	-68.4	0	0	0	0	114.2	C143 G144 H184 G188 R215 D216	C143-C186 HydrophobicContact CB-CB 3.95Å; C143-C186 WeakPolarHBondContact CB-SG 3.46Å; C143-C186 WeakPolarHBondContact SG-CA 3.45Å; C143-C186 WeakPolarHBondContact SG-CB 3.49Å; C143-C186 CovalentContact SG-SG 2.04Å; C143-C186 PolarHBondContact SG-SG 3.44Å; G144-C186 CarbonylContact C-O 3.58Å; G144-C186 WeakPolarHBondContact CA-O 3.34Å; G144-C186 PolarHBondContact N-O 3.04Å; H184-C186 PolarHBondContact O-N 2.84Å; C186-G188 VanDerWaalsContact C-N 3.26Å; C186-G188 PolarHBondContact O-N 2.93Å; C186-R215 VanDerWaalsContact SG-CA 3.54Å; C186-D216 PolarHBondContact N-OD1 3.48Å
187	N	95.3	Very high	96.9	Very high	119 Å²	119	36.7 Å²	36.7	64%	0.636	18%	0.184	S	C	*	.	B	Isolated β-bridge	trans	-90.7	15.5	175.2	-57.1	-67.9	0	0	0	112.8	H184 G185	H184-N187 HydrophobicContact CB-CB 4.03Å; H184-N187 WeakPolarHBondContact O-CA 3.19Å; H184-N187 WeakPolarHBondContact O-CB 3.07Å; H184-N187 PolarHBondContact O-N 3.26Å; G185-N187 PolarHBondContact O-N 2.77Å
188	G	95.6	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.			trans	102	171.5	173.8	0	0	0	0	0	114.9	T100 G144 W147 H184 G185 C186	T100-G188 WeakPolarHBondContact O-CA 3.41Å; G144-G188 WeakPolarHBondContact O-CA 3.28Å; G144-G188 PolarHBondContact O-N 3.45Å; W147-G188 VanDerWaalsContact NE1-C 3.32Å; H184-G188 WeakPolarHBondContact CA-O 3.47Å; H184-G188 PolarHBondContact N-O 3.47Å; G185-G188 PolarHBondContact O-N 2.92Å; C186-G188 VanDerWaalsContact C-N 3.26Å; C186-G188 PolarHBondContact O-N 2.93Å
189	G	96.5	Very high	96.9	Very high	4 Å²	4	37.6 Å²	37.6	4%	0.041	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	175.1	-170.9	-171.8	0	0	0	0	0	111.4	T102 W147 N183	T102-G189 PolarHBondContact N-O 2.86Å; W147-G189 VanDerWaalsContact CG-C 3.5Å; N183-G189 WeakPolarHBondContact OD1-CA 3.43Å
190	F	97.6	Very high	97	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.			trans	-144.1	143.9	-178.8	-149.2	-88.9	0	0	0	111.6	L101 T102 P103 P104 N183 H192 K193 A194 F235 Y331	L101-F190 HydrophobicContact CD1-CD2 3.78Å; L101-F190 HydrophobicContact CD1-CE2 3.74Å; L101-F190 HydrophobicContact CD2-CD2 4.3Å; L101-F190 HydrophobicContact CD2-CE2 3.94Å; L101-F190 HydrophobicContact CG-CD2 3.82Å; L101-F190 HydrophobicContact CG-CE2 3.91Å; T102-F190 WeakPolarHBondContact O-CD2 3.3Å; P103-F190 HydrophobicContact CB-CE2 4.24Å; P103-F190 HydrophobicContact CG-CE2 4.43Å; P104-F190 VanDerWaalsContact CD-CD2 3.5Å; P104-F190 HydrophobicContact CG-CG 4.43Å; N183-F190 PolarHBondContact OD1-N 3.32Å; N183-F190 PolarHBondContact OD1-O 3.25Å; F190-H192 AromaticContact CD1-ND1 3.18Å; F190-H192 WeakPolarHBondContact CD1-ND1 3.2Å; F190-H192 AromaticContact CE1-ND1 3.84Å; F190-H192 PolarHBondContact O-N 2.9Å; F190-K193 HydrophobicContact CB-CD 4.35Å; F190-K193 PolarHBondContact O-N 2.95Å; F190-A194 PolarHBondContact O-N 3.22Å; F190-F235 HydrophobicContact CE1-CE1 4.3Å; F190-F235 HydrophobicContact CE1-CZ 4.43Å; F190-Y331 HydrophobicContact CE1-CD1 4.4Å; F190-Y331 HydrophobicContact CE2-CD1 4.46Å; F190-Y331 AromaticContact CZ-CD1 3.6Å; F190-Y331 HydrophobicContact CZ-CD1 3.6Å; F190-Y331 HydrophobicContact CZ-CE1 4.31Å; F190-Y331 AromaticContact CZ-CG 3.75Å; F190-Y331 HydrophobicContact CZ-CG 3.75Å
191	M	98.1	Very high	97.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-42	-168.5	-55.1	79.8	80.2	0	0	112.9	L101 W147 A151 K193 A194 F195 A257 A285	L101-M191 HydrophobicContact CD1-CE 4.05Å; L101-M191 HydrophobicContact CD1-SD 3.38Å; L101-M191 WeakPolarHBondContact CD1-SD 3.5Å; W147-M191 HydrophobicContact CB-SD 4.5Å; A151-M191 HydrophobicContact CB-CB 4.17Å; A151-M191 HydrophobicContact CB-CG 4.5Å; M191-K193 VanDerWaalsContact C-N 3.3Å; M191-K193 PolarHBondContact O-N 3.07Å; M191-A194 WeakPolarHBondContact O-CA 3.22Å; M191-A194 VanDerWaalsContact O-CB 3.27Å; M191-A194 WeakPolarHBondContact O-CB 3.41Å; M191-A194 PolarHBondContact O-N 2.78Å; M191-F195 HydrophobicContact CB-CE2 4.12Å; M191-F195 HydrophobicContact CB-CZ 4.23Å; M191-F195 WeakPolarHBondContact O-CD2 3.46Å; M191-F195 WeakPolarHBondContact O-CG 3.45Å; M191-F195 PolarHBondContact O-N 3.02Å; M191-A257 HydrophobicContact CE-CB 4.36Å; M191-A285 HydrophobicContact CE-CB 4.41Å; M191-A285 HydrophobicContact CG-CB 4.33Å; M191-A285 HydrophobicContact SD-CB 3.58Å; M191-A285 VanDerWaalsContact SD-CB 3.58Å
192	H	96.1	Very high	97.2	Very high	22 Å²	22	33.1 Å²	33.1	10%	0.102	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-33.4	-178.7	85.7	-84.2	0	0	0	113.6	F190 A194 F195 Q196 Y233 F235	F190-H192 AromaticContact CD1-ND1 3.18Å; F190-H192 WeakPolarHBondContact CD1-ND1 3.2Å; F190-H192 AromaticContact CE1-ND1 3.84Å; F190-H192 PolarHBondContact O-N 2.9Å; H192-A194 VanDerWaalsContact C-N 3.3Å; H192-A194 PolarHBondContact O-N 3.15Å; H192-F195 PolarHBondContact O-N 3.19Å; H192-Q196 PolarHBondContact O-N 2.94Å; H192-Y233 HydrophobicContact CB-CD2 4.1Å; H192-Y233 HydrophobicContact CB-CE2 3.84Å; H192-F235 HydrophobicContact CB-CE2 3.8Å; H192-F235 HydrophobicContact CB-CZ 3.51Å; H192-F235 AromaticContact CG-CE2 3.99Å; H192-F235 AromaticContact CG-CZ 3.66Å; H192-F235 AromaticContact ND1-CZ 3.88Å
193	K	96.6	Very high	97.3	Very high	45 Å²	45	32 Å²	32	20%	0.196	16%	0.159	C	C	.	.	H	α-helix	trans	-66	-36.6	174.5	-66.3	173.2	164.2	-178.5	0	111.1	Y181 G182 N183 F190 M191 Q196 Y197	Y181-K193 WeakPolarHBondContact O-CD 3.47Å; Y181-K193 WeakPolarHBondContact O-CE 3.48Å; Y181-K193 WeakPolarHBondContact O-CG 3.42Å; G182-K193 PolarHBondContact O-NZ 2.96Å; N183-K193 WeakPolarHBondContact ND2-CB 3.43Å; N183-K193 WeakPolarHBondContact OD1-CD 3.23Å; F190-K193 HydrophobicContact CB-CD 4.35Å; F190-K193 PolarHBondContact O-N 2.95Å; M191-K193 VanDerWaalsContact C-N 3.3Å; M191-K193 PolarHBondContact O-N 3.07Å; K193-Q196 PolarHBondContact O-N 3.45Å; K193-Y197 PolarHBondContact O-N 3.05Å
194	A	98.1	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.1	-41	173.3	0	0	0	0	0	111.3	W147 A151 L174 F190 M191 H192 Y197 V198	W147-A194 HydrophobicContact CE3-CB 4.11Å; W147-A194 HydrophobicContact CZ3-CB 3.9Å; A151-A194 HydrophobicContact CB-CB 3.79Å; L174-A194 HydrophobicContact CD1-CB 4.13Å; L174-A194 HydrophobicContact CD2-CB 4.12Å; F190-A194 PolarHBondContact O-N 3.22Å; M191-A194 WeakPolarHBondContact O-CA 3.22Å; M191-A194 VanDerWaalsContact O-CB 3.27Å; M191-A194 WeakPolarHBondContact O-CB 3.41Å; M191-A194 PolarHBondContact O-N 2.78Å; H192-A194 VanDerWaalsContact C-N 3.3Å; H192-A194 PolarHBondContact O-N 3.15Å; A194-Y197 WeakPolarHBondContact O-CB 3.37Å; A194-Y197 PolarHBondContact O-N 3.27Å; A194-V198 WeakPolarHBondContact O-CG2 3.41Å; A194-V198 PolarHBondContact O-N 2.74Å; A194-V198 VanDerWaalsContact O-N 3.08Å
195	F	98.3	Very high	97.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.5	-43.8	173.6	-57.3	-38	0	0	0	112.3	A151 A154 L155 M191 H192 Y197 V198 I199 Y233 C333 P335	A151-F195 HydrophobicContact CB-CD1 4.2Å; A151-F195 HydrophobicContact CB-CE1 3.61Å; A151-F195 HydrophobicContact CB-CZ 4.06Å; A151-F195 WeakPolarHBondContact O-CE1 3.43Å; A154-F195 HydrophobicContact CB-CE1 4.38Å; A154-F195 HydrophobicContact CB-CZ 4.05Å; L155-F195 HydrophobicContact CD1-CD1 4.23Å; L155-F195 HydrophobicContact CD1-CE1 4.37Å; L155-F195 HydrophobicContact CD2-CD1 4.41Å; L155-F195 HydrophobicContact CG-CD1 4.16Å; L155-F195 HydrophobicContact CG-CE1 4.07Å; M191-F195 HydrophobicContact CB-CE2 4.12Å; M191-F195 HydrophobicContact CB-CZ 4.23Å; M191-F195 WeakPolarHBondContact O-CD2 3.46Å; M191-F195 WeakPolarHBondContact O-CG 3.45Å; M191-F195 PolarHBondContact O-N 3.02Å; H192-F195 PolarHBondContact O-N 3.19Å; F195-Y197 VanDerWaalsContact C-N 3.32Å; F195-Y197 PolarHBondContact O-N 3.13Å; F195-V198 PolarHBondContact O-N 3.41Å; F195-V198 VanDerWaalsContact O-N 3.16Å; F195-I199 VanDerWaalsContact O-CG1 3.31Å; F195-I199 WeakPolarHBondContact O-CG1 3.34Å; F195-I199 PolarHBondContact O-N 3.42Å; F195-Y233 HydrophobicContact CB-CD1 3.67Å; F195-Y233 HydrophobicContact CB-CG 3.92Å; F195-Y233 HydrophobicContact CD2-CG 4.16Å; F195-C333 HydrophobicContact CE2-CB 4.5Å; F195-P335 HydrophobicContact CD1-CB 3.92Å; F195-P335 HydrophobicContact CD1-CG 4.16Å; F195-P335 HydrophobicContact CE1-CB 4.07Å; F195-P335 HydrophobicContact CE1-CG 3.8Å; F195-P335 HydrophobicContact CG-CB 4.24Å; F195-P335 HydrophobicContact CZ-CG 4.15Å
196	Q	97.7	Very high	97.6	Very high	61 Å²	61	27 Å²	27	29%	0.285	14%	0.138	S	C	.	.	H	α-helix	trans	-59.3	-43.5	175.7	-170.8	62.4	59.7	0	0	111.7	Y181 H192 K193 V198 I199 D200 Y233	Y181-Q196 HydrophobicContact CD1-CB 4.03Å; Y181-Q196 HydrophobicContact CD1-CG 3.79Å; Y181-Q196 HydrophobicContact CE1-CB 4.34Å; Y181-Q196 HydrophobicContact CE1-CG 3.78Å; H192-Q196 PolarHBondContact O-N 2.94Å; K193-Q196 PolarHBondContact O-N 3.45Å; Q196-V198 PolarHBondContact O-N 2.9Å; Q196-I199 PolarHBondContact O-N 3.5Å; Q196-D200 PolarHBondContact NE2-OD1 3.22Å; Q196-D200 PolarHBondContact O-N 3.48Å; Q196-Y233 HydrophobicContact CB-CE1 3.97Å
197	Y	98.4	Very high	97.7	Very high	8 Å²	8	27.2 Å²	27.2	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-54.6	-50.1	172.7	161	-105.2	0	0	0	111.8	N173 L174 C177 Y181 K193 A194 F195 I199 D200 N201	N173-Y197 PolarHBondContact ND2-OH 3.26Å; L174-Y197 HydrophobicContact CD2-CD1 3.67Å; L174-Y197 HydrophobicContact CD2-CE1 3.98Å; C177-Y197 HydrophobicContact CB-CD2 4.43Å; C177-Y197 HydrophobicContact CB-CE1 4.05Å; C177-Y197 HydrophobicContact CB-CE2 3.56Å; C177-Y197 VanDerWaalsContact CB-OH 3.24Å; C177-Y197 WeakPolarHBondContact CB-OH 3.09Å; Y181-Y197 HydrophobicContact CD2-CD2 4.14Å; Y181-Y197 HydrophobicContact CD2-CG 4.35Å; Y181-Y197 AromaticContact CE2-CD2 3.72Å; Y181-Y197 HydrophobicContact CE2-CD2 3.72Å; Y181-Y197 HydrophobicContact CE2-CG 4.26Å; K193-Y197 PolarHBondContact O-N 3.05Å; A194-Y197 WeakPolarHBondContact O-CB 3.37Å; A194-Y197 PolarHBondContact O-N 3.27Å; F195-Y197 VanDerWaalsContact C-N 3.32Å; F195-Y197 PolarHBondContact O-N 3.13Å; Y197-I199 VanDerWaalsContact C-N 3.29Å; Y197-I199 PolarHBondContact O-N 3.36Å; Y197-D200 PolarHBondContact O-N 3.34Å; Y197-N201 HydrophobicContact CD2-CB 4.09Å; Y197-N201 HydrophobicContact CE2-CB 3.63Å; Y197-N201 WeakPolarHBondContact O-CB 3.35Å; Y197-N201 PolarHBondContact O-N 3.02Å; Y197-N201 PolarHBondContact OH-ND2 3.22Å; Y197-N201 VanDerWaalsContact OH-ND2 3.1Å
198	V	98.6	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-37.2	-177.9	175.9	0	0	0	0	111.8	L155 L174 A194 F195 Q196 H202 G203 I204 C230	L155-V198 HydrophobicContact CD1-CG2 4.04Å; L174-V198 HydrophobicContact CD2-CG2 3.75Å; A194-V198 WeakPolarHBondContact O-CG2 3.41Å; A194-V198 PolarHBondContact O-N 2.74Å; A194-V198 VanDerWaalsContact O-N 3.08Å; F195-V198 PolarHBondContact O-N 3.41Å; F195-V198 VanDerWaalsContact O-N 3.16Å; Q196-V198 PolarHBondContact O-N 2.9Å; V198-H202 PolarHBondContact O-N 3.07Å; V198-H202 VanDerWaalsContact O-N 3.08Å; V198-G203 PolarHBondContact O-N 2.88Å; V198-G203 VanDerWaalsContact O-N 3.07Å; V198-I204 HydrophobicContact CG1-CB 4.15Å; V198-I204 HydrophobicContact CG1-CG2 4.14Å; V198-I204 HydrophobicContact CG2-CB 3.97Å; V198-I204 HydrophobicContact CG2-CD1 4.24Å; V198-I204 HydrophobicContact CG2-CG1 4.49Å; V198-C230 HydrophobicContact CB-CB 4.17Å; V198-C230 HydrophobicContact CG1-CB 3.66Å
199	I	98.3	Very high	98	Very high	28 Å²	28	32.2 Å²	32.2	14%	0.144	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-54.1	176.6	-67.2	161.7	0	0	0	110.6	F195 Q196 Y197 H202 C230 Y233	F195-I199 VanDerWaalsContact O-CG1 3.31Å; F195-I199 WeakPolarHBondContact O-CG1 3.34Å; F195-I199 PolarHBondContact O-N 3.42Å; Q196-I199 PolarHBondContact O-N 3.5Å; Y197-I199 VanDerWaalsContact C-N 3.29Å; Y197-I199 PolarHBondContact O-N 3.36Å; I199-H202 PolarHBondContact O-N 2.84Å; I199-H202 VanDerWaalsContact O-N 3.15Å; I199-H202 PolarHBondContact O-ND1 3.34Å; I199-C230 HydrophobicContact CG1-CB 3.84Å; I199-C230 WeakPolarHBondContact CG1-O 3.44Å; I199-Y233 HydrophobicContact CD1-CD1 3.78Å; I199-Y233 HydrophobicContact CD1-CE1 4.36Å
200	D	98.3	Very high	98.1	Very high	75 Å²	75	32.6 Å²	32.6	40%	0.401	16%	0.163	S	C	.	.	H	α-helix	trans	-69.7	-34.7	-176.5	-69	3.1	0	0	0	112.4	Y181 Q196 Y197 H202	Y181-D200 HydrophobicContact CE1-CB 4.41Å; Y181-D200 WeakPolarHBondContact CE1-OD2 3.38Å; Y181-D200 WeakPolarHBondContact OH-CB 3.47Å; Y181-D200 PolarHBondContact OH-OD2 3.35Å; Q196-D200 PolarHBondContact NE2-OD1 3.22Å; Q196-D200 PolarHBondContact O-N 3.48Å; Y197-D200 PolarHBondContact O-N 3.34Å; D200-H202 PolarHBondContact O-N 3Å
201	N	98.3	Very high	98.1	Very high	44 Å²	44	36.1 Å²	36.1	24%	0.235	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-10.2	175.8	-169.9	67.8	0	0	0	112.5	Y197 G203 Y221	Y197-N201 HydrophobicContact CD2-CB 4.09Å; Y197-N201 HydrophobicContact CE2-CB 3.63Å; Y197-N201 WeakPolarHBondContact O-CB 3.35Å; Y197-N201 PolarHBondContact O-N 3.02Å; Y197-N201 PolarHBondContact OH-ND2 3.22Å; Y197-N201 VanDerWaalsContact OH-ND2 3.1Å; N201-G203 PolarHBondContact ND2-O 3.49Å; N201-G203 PolarHBondContact O-N 2.86Å; N201-Y221 WeakPolarHBondContact ND2-CD1 3.08Å; N201-Y221 WeakPolarHBondContact ND2-CE1 3.46Å; N201-Y221 WeakPolarHBondContact ND2-CE2 3.47Å; N201-Y221 WeakPolarHBondContact OD1-CD1 3.18Å
202	H	97.7	Very high	98.2	Very high	125 Å²	125	38.5 Å²	38.5	58%	0.579	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	31.1	-176.4	-54.1	-43.3	0	0	0	113.8	V198 I199 D200 R226	V198-H202 PolarHBondContact O-N 3.07Å; V198-H202 VanDerWaalsContact O-N 3.08Å; I199-H202 PolarHBondContact O-N 2.84Å; I199-H202 VanDerWaalsContact O-N 3.15Å; I199-H202 PolarHBondContact O-ND1 3.34Å; D200-H202 PolarHBondContact O-N 3Å; H202-R226 WeakPolarHBondContact O-CD 3.12Å; H202-R226 PolarHBondContact O-NH1 2.82Å
203	G	98	Very high	98.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.			trans	160.7	168.3	178.8	0	0	0	0	0	116.1	V198 N201 A228 N229	V198-G203 PolarHBondContact O-N 2.88Å; V198-G203 VanDerWaalsContact O-N 3.07Å; N201-G203 PolarHBondContact ND2-O 3.49Å; N201-G203 PolarHBondContact O-N 2.86Å; G203-A228 CarbonylContact C-O 3.52Å; G203-A228 WeakPolarHBondContact CA-O 3.5Å; G203-N229 PolarHBondContact N-OD1 3.01Å
204	I	98.8	Very high	98.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	141.9	169.7	-174.6	176.7	0	0	0	108.7	L155 L169 N173 L174 V198 A227 A228	L155-I204 HydrophobicContact CD1-CD1 4.19Å; L169-I204 HydrophobicContact CB-CD1 4.32Å; L169-I204 HydrophobicContact CD1-CG2 4.05Å; L169-I204 HydrophobicContact CD2-CG2 4.26Å; N173-I204 HydrophobicContact CB-CG1 4.36Å; N173-I204 WeakPolarHBondContact OD1-CG1 3.22Å; L174-I204 HydrophobicContact CD1-CD1 4.13Å; L174-I204 HydrophobicContact CD2-CD1 3.77Å; L174-I204 HydrophobicContact CG-CD1 3.82Å; V198-I204 HydrophobicContact CG1-CB 4.15Å; V198-I204 HydrophobicContact CG1-CG2 4.14Å; V198-I204 HydrophobicContact CG2-CB 3.97Å; V198-I204 HydrophobicContact CG2-CD1 4.24Å; V198-I204 HydrophobicContact CG2-CG1 4.49Å; I204-A227 PolarHBondContact O-N 3.22Å; I204-A228 HydrophobicContact CG2-CB 3.8Å; I204-A228 PolarHBondContact N-O 3.41Å; I204-A228 PolarHBondContact O-N 2.82Å
205	D	98.8	Very high	98.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	158.6	177.3	-79	-34.4	0	0	0	113.1	S170 N173 Y221 N222 T225 R226	S170-D205 WeakPolarHBondContact CB-O 3.42Å; S170-D205 PolarHBondContact N-O 3.4Å; N173-D205 PolarHBondContact OD1-N 2.88Å; D205-Y221 WeakPolarHBondContact OD2-CA 3.48Å; D205-Y221 WeakPolarHBondContact OD2-CD2 3.44Å; D205-N222 PolarHBondContact OD2-N 3.48Å; D205-T225 VanDerWaalsContact CG-OG1 3.24Å; D205-T225 PolarHBondContact OD1-OG1 3.08Å; D205-R226 PolarHBondContact OD1-N 3.38Å
206	S	98.6	Very high	98.1	Very high	16 Å²	16	50.5 Å²	50.5	11%	0.112	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-69.1	152.8	166.5	69.3	0	0	0	0	111.3	D168 Q208 S209 Y210	D168-S206 WeakPolarHBondContact O-CA 3.35Å; S206-Q208 PolarHBondContact O-N 2.99Å; S206-Q208 PolarHBondContact OG-N 3.02Å; S206-S209 PolarHBondContact N-OG 3.34Å; S206-S209 PolarHBondContact O-N 3.3Å; S206-S209 PolarHBondContact O-OG 3.47Å; S206-S209 VanDerWaalsContact O-OG 3.08Å; S206-S209 WeakPolarHBondContact OG-CB 3.18Å; S206-S209 PolarHBondContact OG-N 2.74Å; S206-S209 PolarHBondContact OG-OG 2.92Å; S206-Y210 PolarHBondContact O-N 3.48Å
207	D	98.4	Very high	98.1	Very high	23 Å²	23	50 Å²	50	12%	0.123	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.1	170.6	-165.4	38	0	0	0	111.6	K138 D168 Y210 P211	K138-D207 IonicContact NZ-OD2 2.65Å; K138-D207 PolarHBondContact NZ-OD2 3.23Å; D168-D207 HydrophobicContact CB-CB 3.77Å; D168-D207 PolarHBondContact O-N 3.32Å; D207-Y210 CarbonylContact O-C 3.6Å; D207-P211 WeakPolarHBondContact O-CA 3.21Å
208	Q	98.3	Very high	98.1	Very high	178 Å²	178	54.7 Å²	54.7	83%	0.832	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-41.4	175.5	-175	178.7	26.5	0	0	112.4	S206	S206-Q208 PolarHBondContact O-N 2.99Å; S206-Q208 PolarHBondContact OG-N 3.02Å
209	S	98.4	Very high	98.1	Very high	47 Å²	47	58 Å²	58	33%	0.329	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-27.8	-178.5	56.7	0	0	0	0	113.1	S206 T225	S206-S209 PolarHBondContact N-OG 3.34Å; S206-S209 PolarHBondContact O-N 3.3Å; S206-S209 PolarHBondContact O-OG 3.47Å; S206-S209 VanDerWaalsContact O-OG 3.08Å; S206-S209 WeakPolarHBondContact OG-CB 3.18Å; S206-S209 PolarHBondContact OG-N 2.74Å; S206-S209 PolarHBondContact OG-OG 2.92Å; S209-T225 VanDerWaalsContact CB-CB 3.41Å; S209-T225 WeakPolarHBondContact OG-CB 3.4Å; S209-T225 PolarHBondContact OG-OG1 2.9Å
210	Y	98.7	Very high	98.1	Very high	11 Å²	11	62.2 Å²	62.2	4%	0.043	33%	0.329	C	S	.	.	S	Bend	trans	-131.6	79.5	175.7	-161.3	-19.1	0	0	0	110.1	S170 Q172 N173 D176 S206 D207 P218 Q220	S170-Y210 VanDerWaalsContact CB-O 3.3Å; S170-Y210 WeakPolarHBondContact CB-O 3.19Å; S170-Y210 PolarHBondContact OG-O 3.29Å; Q172-Y210 HydrophobicContact CB-CD1 3.94Å; Q172-Y210 HydrophobicContact CB-CE1 4.02Å; Q172-Y210 HydrophobicContact CG-CD1 3.81Å; Q172-Y210 HydrophobicContact CG-CE1 3.44Å; Q172-Y210 VanDerWaalsContact CG-CE1 3.44Å; N173-Y210 HydrophobicContact CB-CD2 3.72Å; N173-Y210 HydrophobicContact CB-CE2 4.03Å; N173-Y210 HydrophobicContact CB-CG 4.32Å; D176-Y210 WeakPolarHBondContact CB-OH 3.26Å; D176-Y210 PolarHBondContact OD2-OH 2.76Å; S206-Y210 PolarHBondContact O-N 3.48Å; D207-Y210 CarbonylContact O-C 3.6Å; Y210-P218 PolarHBondContact OH-O 2.8Å; Y210-Q220 HydrophobicContact CE1-CB 4.4Å; Y210-Q220 VanDerWaalsContact CE2-C 3.45Å; Y210-Q220 HydrophobicContact CE2-CB 3.85Å; Y210-Q220 PolarHBondContact OH-N 3.3Å
211	P	98.5	Very high	98.1	Very high	75 Å²	75	60.7 Å²	60.7	49%	0.487	32%	0.318	S	S	.	.			trans	-66.7	148	-173.4	-22.4	34.6	0	0	0	114.4	D207	D207-P211 WeakPolarHBondContact O-CA 3.21Å
212	Y	98.6	Very high	98.1	Very high	50 Å²	50	61.4 Å²	61.4	20%	0.196	32%	0.322	C	S	.	.			trans	-66.2	128.8	173	-169.3	-103.3	0	0	0	113.6	Q140 C143 S145 F149 P171 Q172 V175 G214	Q140-Y212 WeakPolarHBondContact O-CE1 3.48Å; Q140-Y212 PolarHBondContact O-OH 3.05Å; C143-Y212 WeakPolarHBondContact CB-OH 3.14Å; C143-Y212 PolarHBondContact SG-OH 3.32Å; C143-Y212 VanDerWaalsContact SG-OH 3.4Å; S145-Y212 PolarHBondContact OG-OH 3.45Å; F149-Y212 HydrophobicContact CE2-CD2 4.13Å; F149-Y212 HydrophobicContact CE2-CE1 4.13Å; F149-Y212 AromaticContact CE2-CE2 3.58Å; F149-Y212 HydrophobicContact CE2-CE2 3.58Å; F149-Y212 AromaticContact CE2-CZ 3.57Å; F149-Y212 AromaticContact CZ-CD1 3.91Å; F149-Y212 HydrophobicContact CZ-CD1 3.91Å; F149-Y212 AromaticContact CZ-CD2 3.78Å; F149-Y212 HydrophobicContact CZ-CD2 3.78Å; F149-Y212 AromaticContact CZ-CE1 3.82Å; F149-Y212 HydrophobicContact CZ-CE1 3.82Å; F149-Y212 AromaticContact CZ-CE2 3.68Å; F149-Y212 HydrophobicContact CZ-CE2 3.68Å; F149-Y212 AromaticContact CZ-CG 3.88Å; F149-Y212 HydrophobicContact CZ-CG 3.88Å; F149-Y212 AromaticContact CZ-CZ 3.68Å; P171-Y212 HydrophobicContact CB-CD2 4.21Å; Q172-Y212 HydrophobicContact CB-CD2 4.27Å; V175-Y212 HydrophobicContact CG2-CE2 4.49Å; Y212-G214 VanDerWaalsContact CE1-CA 3.45Å
213	T	97.8	Very high	98.1	Very high	60 Å²	60	59.8 Å²	59.8	37%	0.368	32%	0.322	S	S	.	.			trans	-116.3	-9	-178.2	70.4	0	0	0	0	113.9	Q172 R215	Q172-T213 PolarHBondContact OE1-OG1 3.43Å; Q172-T213 VanDerWaalsContact OE1-OG1 3.07Å; T213-R215 VanDerWaalsContact C-N 3.31Å; T213-R215 PolarHBondContact O-N 3.44Å; T213-R215 WeakPolarHBondContact OG1-CG 3.48Å
214	G	96.1	Very high	98.1	Very high	25 Å²	25	68.2 Å²	68.2	26%	0.258	36%	0.362	S	S	.	.	S	Bend	trans	68.8	26.9	177.2	0	0	0	0	0	114.4	C143 Y212	C143-G214 WeakPolarHBondContact CB-O 3.43Å; Y212-G214 VanDerWaalsContact CE1-CA 3.45Å
215	R	96.9	Very high	98	Very high	153 Å²	153	70.6 Å²	70.6	58%	0.577	38%	0.377	S	S	*	.	S	Bend	trans	-155.6	159.7	177.8	59.5	-176	177.4	-168.8	-0.5	110.4	Q172 C186 T213 Q217	Q172-R215 PolarHBondContact NE2-O 3.35Å; C186-R215 VanDerWaalsContact SG-CA 3.54Å; T213-R215 VanDerWaalsContact C-N 3.31Å; T213-R215 PolarHBondContact O-N 3.44Å; T213-R215 WeakPolarHBondContact OG1-CG 3.48Å; R215-Q217 HydrophobicContact CG-CG 4.16Å
216	D	97.6	Very high	98	Very high	80 Å²	80	76.9 Å²	76.9	43%	0.428	40%	0.4	S	S	.	.			trans	-70.7	132.4	173.5	-61	-37.3	0	0	0	110.6	G185 C186	G185-D216 WeakPolarHBondContact CA-OD1 3.39Å; C186-D216 PolarHBondContact N-OD1 3.48Å
217	Q	97.7	Very high	97.9	Very high	51 Å²	51	77.7 Å²	77.7	24%	0.238	41%	0.408	C	S	.	.			trans	-134.6	164.9	174.7	-55.5	-164.7	-39.7	0	0	110.6	D176 R215	D176-Q217 WeakPolarHBondContact CB-O 3.34Å; D176-Q217 VanDerWaalsContact CG-O 3.26Å; D176-Q217 PolarHBondContact OD1-N 2.86Å; R215-Q217 HydrophobicContact CG-CG 4.16Å
218	P	98.2	Very high	97.9	Very high	107 Å²	107	76.9 Å²	76.9	70%	0.695	40%	0.404	S	S	*	.			trans	-57.3	141.4	166.6	-23.2	34.7	0	0	0	110.6	Y210 Q220	Y210-P218 PolarHBondContact OH-O 2.8Å; P218-Q220 WeakPolarHBondContact O-CG 3.34Å; P218-Q220 PolarHBondContact O-N 2.9Å
219	C	98.5	Very high	97.7	Very high	68 Å²	68	71 Å²	71	46%	0.459	38%	0.378	S	S	.	.			trans	-60.3	125.2	176.7	175.4	0	0	0	0	111.8	D176 C177	D176-C219 HydrophobicContact CB-CB 4.44Å; C177-C219 HydrophobicContact CB-CB 3.89Å; C177-C219 WeakPolarHBondContact CB-SG 3.49Å; C177-C219 VanDerWaalsContact SG-CA 3.57Å; C177-C219 WeakPolarHBondContact SG-CB 3.43Å; C177-C219 CovalentContact SG-SG 2.03Å; C177-C219 PolarHBondContact SG-SG 3.08Å
220	Q	98.1	Very high	97.4	Very high	118 Å²	118	68.8 Å²	68.8	55%	0.551	36%	0.363	S	S	*	.			trans	-121.9	28.4	-179.4	-61.4	175.7	49.4	0	0	113.1	Y210 P218 N222	Y210-Q220 HydrophobicContact CE1-CB 4.4Å; Y210-Q220 VanDerWaalsContact CE2-C 3.45Å; Y210-Q220 HydrophobicContact CE2-CB 3.85Å; Y210-Q220 PolarHBondContact OH-N 3.3Å; P218-Q220 WeakPolarHBondContact O-CG 3.34Å; P218-Q220 PolarHBondContact O-N 2.9Å; Q220-N222 PolarHBondContact O-N 2.95Å
221	Y	98.4	Very high	97.2	Very high	42 Å²	42	72.1 Å²	72.1	17%	0.165	39%	0.385	C	S	.	.			trans	-54.5	132.2	177.3	171	-111.5	0	0	0	111.3	N173 N201 D205 P223	N173-Y221 WeakPolarHBondContact OD1-CD2 3.38Å; N201-Y221 WeakPolarHBondContact ND2-CD1 3.08Å; N201-Y221 WeakPolarHBondContact ND2-CE1 3.46Å; N201-Y221 WeakPolarHBondContact ND2-CE2 3.47Å; N201-Y221 WeakPolarHBondContact OD1-CD1 3.18Å; D205-Y221 WeakPolarHBondContact OD2-CA 3.48Å; D205-Y221 WeakPolarHBondContact OD2-CD2 3.44Å; Y221-P223 HydrophobicContact CD1-CG 4.45Å; Y221-P223 HydrophobicContact CE1-CB 4.48Å; Y221-P223 HydrophobicContact CE1-CG 3.84Å
222	N	97.8	Very high	97	Very high	60 Å²	60	73.5 Å²	73.5	32%	0.321	39%	0.385	S	S	.	.			trans	-122.8	113.2	177.2	-178.6	-1	0	0	0	111.3	D205 Q220 E224 T225 R226	D205-N222 PolarHBondContact OD2-N 3.48Å; Q220-N222 PolarHBondContact O-N 2.95Å; N222-E224 PolarHBondContact O-N 3.11Å; N222-E224 WeakPolarHBondContact OD1-CB 3.43Å; N222-E224 PolarHBondContact OD1-N 3.32Å; N222-T225 PolarHBondContact O-N 3.47Å; N222-T225 PolarHBondContact O-OG1 3.15Å; N222-T225 VanDerWaalsContact O-OG1 3.12Å; N222-R226 PolarHBondContact O-N 2.86Å
223	P	97.4	Very high	96.8	Very high	90 Å²	90	73.9 Å²	73.9	58%	0.584	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-53.7	-27.3	177.2	-26.4	33.9	0	0	0	115.3	Y221 T225 R226	Y221-P223 HydrophobicContact CD1-CG 4.45Å; Y221-P223 HydrophobicContact CE1-CB 4.48Å; Y221-P223 HydrophobicContact CE1-CG 3.84Å; P223-T225 VanDerWaalsContact C-N 3.27Å; P223-T225 PolarHBondContact O-N 3.24Å; P223-R226 WeakPolarHBondContact O-CB 3.15Å
224	E	97.8	Very high	96.7	Very high	177 Å²	177	72 Å²	72	83%	0.827	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-70.3	-23	177.9	-61.1	-176.4	163.2	0	0	113	N222	N222-E224 PolarHBondContact O-N 3.11Å; N222-E224 WeakPolarHBondContact OD1-CB 3.43Å; N222-E224 PolarHBondContact OD1-N 3.32Å
225	T	97.7	Very high	96.6	Very high	51 Å²	51	71.3 Å²	71.3	31%	0.313	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-107.5	11	-179.3	59.5	0	0	0	0	113.9	D205 S209 N222 P223 A227	D205-T225 VanDerWaalsContact CG-OG1 3.24Å; D205-T225 PolarHBondContact OD1-OG1 3.08Å; S209-T225 VanDerWaalsContact CB-CB 3.41Å; S209-T225 WeakPolarHBondContact OG-CB 3.4Å; S209-T225 PolarHBondContact OG-OG1 2.9Å; N222-T225 PolarHBondContact O-N 3.47Å; N222-T225 PolarHBondContact O-OG1 3.15Å; N222-T225 VanDerWaalsContact O-OG1 3.12Å; P223-T225 VanDerWaalsContact C-N 3.27Å; P223-T225 PolarHBondContact O-N 3.24Å; T225-A227 PolarHBondContact O-N 2.91Å
226	R	98.1	Very high	96.5	Very high	133 Å²	133	64.2 Å²	64.2	50%	0.502	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	123.5	176.7	-179	-171.7	65.6	-174	-4.1	110.9	H202 D205 N222 P223 A228	H202-R226 WeakPolarHBondContact O-CD 3.12Å; H202-R226 PolarHBondContact O-NH1 2.82Å; D205-R226 PolarHBondContact OD1-N 3.38Å; N222-R226 PolarHBondContact O-N 2.86Å; P223-R226 WeakPolarHBondContact O-CB 3.15Å; R226-A228 WeakPolarHBondContact CG-O 3.43Å
227	A	98	Very high	96.3	Very high	32 Å²	32	62.6 Å²	62.6	26%	0.264	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-28.7	-178.8	0	0	0	0	0	113.8	V167 L169 I204 T225	V167-A227 HydrophobicContact CG1-CB 4.24Å; L169-A227 HydrophobicContact CD2-CB 3.59Å; I204-A227 PolarHBondContact O-N 3.22Å; T225-A227 PolarHBondContact O-N 2.91Å
228	A	97.3	Very high	96.1	Very high	6 Å²	6	65.7 Å²	65.7	5%	0.05	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	166.6	177.3	0	0	0	0	0	111.6	L159 L169 G203 I204 R226 M337	L159-A228 HydrophobicContact CD1-CB 4.09Å; L159-A228 HydrophobicContact CD2-CB 4.23Å; L169-A228 HydrophobicContact CD1-CB 3.75Å; L169-A228 HydrophobicContact CD2-CB 3.77Å; L169-A228 HydrophobicContact CG-CB 4.43Å; G203-A228 CarbonylContact C-O 3.52Å; G203-A228 WeakPolarHBondContact CA-O 3.5Å; I204-A228 HydrophobicContact CG2-CB 3.8Å; I204-A228 PolarHBondContact N-O 3.41Å; I204-A228 PolarHBondContact O-N 2.82Å; R226-A228 WeakPolarHBondContact CG-O 3.43Å; A228-M337 HydrophobicContact CB-CE 3.87Å
229	N	94	Very high	95.9	Very high	54 Å²	54	62 Å²	62	29%	0.289	33%	0.327	S	S	.	.			trans	-137.3	159.7	170.3	-166.3	14.3	0	0	0	109.5	G203 M337	G203-N229 PolarHBondContact N-OD1 3.01Å; N229-M337 WeakPolarHBondContact O-CE 3.41Å; N229-M337 VanDerWaalsContact O-CG 3.25Å; N229-M337 WeakPolarHBondContact O-CG 3.43Å
230	C	91.6	Very high	95.7	Very high	2 Å²	2	62 Å²	62	1%	0.014	32%	0.323	C	S	.	.			trans	-126.9	139.2	177.2	-175.4	0	0	0	0	108.1	L155 V198 I199 Q232 P335	L155-C230 HydrophobicContact CD2-CB 3.88Å; V198-C230 HydrophobicContact CB-CB 4.17Å; V198-C230 HydrophobicContact CG1-CB 3.66Å; I199-C230 HydrophobicContact CG1-CB 3.84Å; I199-C230 WeakPolarHBondContact CG1-O 3.44Å; C230-Q232 PolarHBondContact SG-O 3.48Å; C230-Q232 VanDerWaalsContact SG-O 3.33Å; C230-P335 VanDerWaalsContact SG-CB 3.55Å
231	T	94.5	Very high	95.7	Very high	81 Å²	81	57.3 Å²	57.3	50%	0.497	30%	0.301	S	S	.	.	S	Bend	trans	-103.1	-32.9	178.9	50.2	0	0	0	0	112.7	T336 M337	T231-T336 PolarHBondContact N-O 3.12Å; T231-T336 PolarHBondContact OG1-O 3.48Å; T231-M337 WeakPolarHBondContact CG2-OXT 3.41Å
232	Q	95.1	Very high	95.5	Very high	104 Å²	104	59.4 Å²	59.4	49%	0.486	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	164.4	177.7	61.3	-177.9	-18.9	0	0	109.2	C230 P335 T336	C230-Q232 PolarHBondContact SG-O 3.48Å; C230-Q232 VanDerWaalsContact SG-O 3.33Å; Q232-P335 CarbonylContact O-C 3.46Å; Q232-T336 WeakPolarHBondContact CG-OG1 3.27Å; Q232-T336 PolarHBondContact NE2-OG1 3.04Å; Q232-T336 PolarHBondContact O-N 3.17Å; Q232-T336 PolarHBondContact O-OG1 3.03Å
233	Y	95.2	Very high	95.4	Very high	57 Å²	57	56.7 Å²	56.7	22%	0.224	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	158.6	167.5	66.4	-94.7	0	0	0	110.3	H192 F195 Q196 I199 F235 Y334	H192-Y233 HydrophobicContact CB-CD2 4.1Å; H192-Y233 HydrophobicContact CB-CE2 3.84Å; F195-Y233 HydrophobicContact CB-CD1 3.67Å; F195-Y233 HydrophobicContact CB-CG 3.92Å; F195-Y233 HydrophobicContact CD2-CG 4.16Å; Q196-Y233 HydrophobicContact CB-CE1 3.97Å; I199-Y233 HydrophobicContact CD1-CD1 3.78Å; I199-Y233 HydrophobicContact CD1-CE1 4.36Å; Y233-F235 HydrophobicContact CD2-CE2 4.3Å; Y233-F235 HydrophobicContact CE2-CD2 4.36Å; Y233-F235 AromaticContact CE2-CE2 3.9Å; Y233-F235 HydrophobicContact CE2-CE2 3.9Å; Y233-Y334 CarbonylContact C-O 3.58Å; Y233-Y334 VanDerWaalsContact CA-O 3.23Å; Y233-Y334 WeakPolarHBondContact CA-O 3.15Å; Y233-Y334 WeakPolarHBondContact CB-O 3.31Å
234	N	94.9	Very high	95.4	Very high	22 Å²	22	52.5 Å²	52.5	12%	0.118	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	154.3	177.9	-68.3	-77.2	0	0	0	110.9	P113 C333 Y334	P113-N234 WeakPolarHBondContact CD-OD1 3.31Å; P113-N234 VanDerWaalsContact CG-OD1 3.31Å; P113-N234 WeakPolarHBondContact CG-OD1 3.46Å; N234-C333 CarbonylContact O-C 3.57Å; N234-C333 VanDerWaalsContact O-CA 3.23Å; N234-C333 WeakPolarHBondContact O-CA 3.42Å; N234-C333 WeakPolarHBondContact O-CB 3.28Å; N234-Y334 HydrophobicContact CB-CE1 3.89Å; N234-Y334 HydrophobicContact CB-CE2 3.91Å; N234-Y334 PolarHBondContact N-O 3.13Å; N234-Y334 PolarHBondContact O-N 3.18Å
235	F	94.8	Very high	95.4	Very high	10 Å²	10	45.2 Å²	45.2	4%	0.044	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	144.5	168.5	-77.8	-89.1	0	0	0	110	L107 R109 S112 F190 H192 Y233 G332 C333	L107-F235 HydrophobicContact CD1-CE2 4.02Å; L107-F235 HydrophobicContact CD1-CZ 3.72Å; L107-F235 HydrophobicContact CD2-CE1 3.95Å; L107-F235 HydrophobicContact CD2-CZ 3.97Å; L107-F235 HydrophobicContact CG-CZ 4.34Å; R109-F235 HydrophobicContact CG-CD2 4.47Å; R109-F235 HydrophobicContact CG-CG 4.35Å; S112-F235 WeakPolarHBondContact CB-O 3.3Å; S112-F235 PolarHBondContact OG-O 3Å; F190-F235 HydrophobicContact CE1-CE1 4.3Å; F190-F235 HydrophobicContact CE1-CZ 4.43Å; H192-F235 HydrophobicContact CB-CE2 3.8Å; H192-F235 HydrophobicContact CB-CZ 3.51Å; H192-F235 AromaticContact CG-CE2 3.99Å; H192-F235 AromaticContact CG-CZ 3.66Å; H192-F235 AromaticContact ND1-CZ 3.88Å; Y233-F235 HydrophobicContact CD2-CE2 4.3Å; Y233-F235 HydrophobicContact CE2-CD2 4.36Å; Y233-F235 AromaticContact CE2-CE2 3.9Å; Y233-F235 HydrophobicContact CE2-CE2 3.9Å; F235-G332 CarbonylContact C-O 3.57Å; F235-G332 WeakPolarHBondContact CA-O 3.48Å; F235-C333 HydrophobicContact CD1-CB 3.63Å; F235-C333 HydrophobicContact CE1-CB 3.66Å; F235-C333 HydrophobicContact CG-CB 4.12Å; F235-C333 HydrophobicContact CZ-CB 4.17Å
236	L	94.3	Very high	95.3	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-77.8	157.7	164.4	-64.5	173.6	0	0	0	109.9	F114 Q238 L244 I254 G332 Y334	F114-L236 HydrophobicContact CB-CD2 4.31Å; F114-L236 HydrophobicContact CD1-CD2 3.84Å; F114-L236 HydrophobicContact CD2-CD2 4.04Å; F114-L236 HydrophobicContact CE1-CD2 4.16Å; F114-L236 HydrophobicContact CE2-CD2 4.33Å; F114-L236 HydrophobicContact CG-CD2 3.78Å; F114-L236 HydrophobicContact CZ-CD2 4.39Å; L236-Q238 PolarHBondContact O-N 3.04Å; L236-L244 HydrophobicContact CD1-CD1 3.79Å; L236-I254 HydrophobicContact CD1-CG1 4.47Å; L236-I254 HydrophobicContact CD1-CG2 4Å; L236-G332 PolarHBondContact N-O 3.01Å; L236-Y334 HydrophobicContact CD2-CD1 4.34Å; L236-Y334 HydrophobicContact CD2-CE1 3.73Å; L236-Y334 HydrophobicContact CG-CD1 4.24Å; L236-Y334 HydrophobicContact CG-CE1 4.03Å
237	P	92.8	Very high	95.2	Very high	46 Å²	46	36.8 Å²	36.8	30%	0.299	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-49.9	134.8	171.2	-25.9	34.1	0	0	0	111.8	G239 D240 A243	P237-G239 PolarHBondContact O-N 2.88Å; P237-D240 HydrophobicContact CB-CB 3.9Å; P237-D240 PolarHBondContact O-N 3.23Å; P237-A243 HydrophobicContact CB-CB 4.32Å; P237-A243 HydrophobicContact CG-CB 3.9Å
238	Q	92.9	Very high	95.2	Very high	115 Å²	115	35.3 Å²	35.3	54%	0.537	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	126.3	-173.5	-176.1	170.6	-17.2	0	0	111.6	R109 L236 D240 L330	R109-Q238 VanDerWaalsContact NH1-CB 3.32Å; L236-Q238 PolarHBondContact O-N 3.04Å; Q238-D240 PolarHBondContact O-N 2.86Å; Q238-L330 HydrophobicContact CG-CD2 3.97Å
239	G	94	Very high	95.2	Very high	30 Å²	30	35.9 Å²	35.9	31%	0.309	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	8.7	174	0	0	0	0	0	113.9	P237 E241 D324 A329	P237-G239 PolarHBondContact O-N 2.88Å; G239-E241 PolarHBondContact O-N 3.4Å; G239-D324 WeakPolarHBondContact CA-OD2 3.29Å; G239-A329 PolarHBondContact N-O 3.08Å
240	D	95.3	Very high	95.2	Very high	68 Å²	68	36.7 Å²	36.7	36%	0.364	20%	0.199	S	C	.	.			trans	-91.8	96.5	-179.7	-170.2	-24.4	0	0	0	109.9	P237 Q238 Q242 A243 L244	P237-D240 HydrophobicContact CB-CB 3.9Å; P237-D240 PolarHBondContact O-N 3.23Å; Q238-D240 PolarHBondContact O-N 2.86Å; D240-Q242 PolarHBondContact O-N 2.75Å; D240-Q242 WeakPolarHBondContact OD1-CA 3.38Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.42Å; D240-Q242 PolarHBondContact OD1-N 2.79Å; D240-A243 HydrophobicContact CB-CB 3.82Å; D240-A243 PolarHBondContact O-N 3.07Å; D240-A243 PolarHBondContact OD1-N 3.13Å; D240-L244 PolarHBondContact O-N 3.4Å
241	E	97.4	Very high	95.4	Very high	20 Å²	20	37.5 Å²	37.5	9%	0.093	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-30.7	177.5	-67.2	-164.6	84.1	0	0	112.3	G239 L244 K245 W300 N321 K322 N323 D324 A329	G239-E241 PolarHBondContact O-N 3.4Å; E241-L244 PolarHBondContact O-N 3.49Å; E241-K245 PolarHBondContact O-N 3.1Å; E241-W300 HydrophobicContact CB-CZ2 4.03Å; E241-W300 HydrophobicContact CG-CZ2 4.43Å; E241-W300 VanDerWaalsContact O-CH2 3.26Å; E241-W300 WeakPolarHBondContact O-CH2 3.44Å; E241-W300 WeakPolarHBondContact O-CZ2 3.28Å; E241-W300 PolarHBondContact OE1-NE1 2.7Å; E241-N321 PolarHBondContact OE1-N 3.46Å; E241-N321 VanDerWaalsContact OE2-CA 3.3Å; E241-N321 WeakPolarHBondContact OE2-CA 3.45Å; E241-N321 PolarHBondContact OE2-N 2.89Å; E241-K322 PolarHBondContact OE2-N 3.44Å; E241-N323 PolarHBondContact OE2-N 3.23Å; E241-D324 HydrophobicContact CG-CB 4.46Å; E241-D324 PolarHBondContact OE2-N 3.02Å; E241-D324 VanDerWaalsContact OE2-N 3.07Å; E241-A329 HydrophobicContact CG-CB 4.19Å
242	Q	95.4	Very high	95.5	Very high	86 Å²	86	33.7 Å²	33.7	40%	0.402	18%	0.179	S	C	.	.	H	α-helix	trans	-71	-44.8	177.4	179.1	60.7	23.6	0	0	110.5	D240 L244 K245 E246	D240-Q242 PolarHBondContact O-N 2.75Å; D240-Q242 WeakPolarHBondContact OD1-CA 3.38Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.42Å; D240-Q242 PolarHBondContact OD1-N 2.79Å; Q242-L244 VanDerWaalsContact C-N 3.26Å; Q242-L244 PolarHBondContact O-N 3.04Å; Q242-K245 WeakPolarHBondContact O-CB 3.14Å; Q242-K245 PolarHBondContact O-N 3.15Å; Q242-K245 VanDerWaalsContact O-N 3.1Å; Q242-E246 PolarHBondContact NE2-OE1 3.46Å; Q242-E246 WeakPolarHBondContact O-CG 3.44Å; Q242-E246 PolarHBondContact O-N 3.35Å
243	A	95.1	Very high	95.7	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-33.6	174.6	0	0	0	0	0	112.2	F114 P237 D240 G247	F114-A243 HydrophobicContact CD1-CB 4.32Å; F114-A243 HydrophobicContact CE1-CB 3.95Å; P237-A243 HydrophobicContact CB-CB 4.32Å; P237-A243 HydrophobicContact CG-CB 3.9Å; D240-A243 HydrophobicContact CB-CB 3.82Å; D240-A243 PolarHBondContact O-N 3.07Å; D240-A243 PolarHBondContact OD1-N 3.13Å; A243-G247 PolarHBondContact O-N 2.91Å
244	L	97.3	Very high	95.9	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-63.6	-43.8	170.6	-176.6	59.2	0	0	0	112.1	L236 D240 E241 Q242 G247 I248 I254 V256 W300 I328 A329	L236-L244 HydrophobicContact CD1-CD1 3.79Å; D240-L244 PolarHBondContact O-N 3.4Å; E241-L244 PolarHBondContact O-N 3.49Å; Q242-L244 VanDerWaalsContact C-N 3.26Å; Q242-L244 PolarHBondContact O-N 3.04Å; L244-G247 PolarHBondContact O-N 3.29Å; L244-I248 HydrophobicContact CD1-CD1 3.92Å; L244-I248 HydrophobicContact CD1-CG1 4.13Å; L244-I248 HydrophobicContact CG-CD1 3.91Å; L244-I248 VanDerWaalsContact O-CG1 3.26Å; L244-I248 WeakPolarHBondContact O-CG1 3.41Å; L244-I248 PolarHBondContact O-N 2.58Å; L244-I254 HydrophobicContact CD1-CB 4.24Å; L244-I254 HydrophobicContact CD1-CG1 4.49Å; L244-I254 HydrophobicContact CD1-CG2 4.01Å; L244-V256 HydrophobicContact CD1-CG1 3.96Å; L244-V256 HydrophobicContact CD2-CG1 4.33Å; L244-W300 HydrophobicContact CB-CH2 3.88Å; L244-W300 HydrophobicContact CB-CZ2 4.13Å; L244-W300 HydrophobicContact CD2-CD2 4.19Å; L244-W300 HydrophobicContact CD2-CE3 4.37Å; L244-W300 HydrophobicContact CD2-CH2 4.02Å; L244-W300 HydrophobicContact CD2-CZ2 3.78Å; L244-W300 HydrophobicContact CD2-CZ3 4.32Å; L244-W300 HydrophobicContact CG-CE3 4.47Å; L244-W300 HydrophobicContact CG-CH2 3.79Å; L244-W300 HydrophobicContact CG-CZ2 4.06Å; L244-W300 HydrophobicContact CG-CZ3 4.03Å; L244-I328 HydrophobicContact CD2-CG1 4.41Å; L244-A329 HydrophobicContact CB-CB 4.43Å; L244-A329 HydrophobicContact CD2-CB 4.14Å
245	K	97.6	Very high	96.1	Very high	25 Å²	25	25 Å²	25	11%	0.109	14%	0.14	C	C	.	.	H	α-helix	trans	-60.5	-50.3	177.3	-172.2	-176.7	176.6	-172.2	0	110.7	V122 E241 Q242 I248 A249 Y291 W300	V122-K245 HydrophobicContact CG2-CD 4.29Å; V122-K245 HydrophobicContact CG2-CG 4.37Å; E241-K245 PolarHBondContact O-N 3.1Å; Q242-K245 WeakPolarHBondContact O-CB 3.14Å; Q242-K245 PolarHBondContact O-N 3.15Å; Q242-K245 VanDerWaalsContact O-N 3.1Å; K245-I248 PolarHBondContact O-N 3.25Å; K245-A249 WeakPolarHBondContact O-CB 3.38Å; K245-A249 PolarHBondContact O-N 2.84Å; K245-Y291 HydrophobicContact CD-CE2 4.26Å; K245-Y291 HydrophobicContact CG-CD1 3.94Å; K245-Y291 HydrophobicContact CG-CD2 4.2Å; K245-Y291 HydrophobicContact CG-CE1 3.62Å; K245-Y291 HydrophobicContact CG-CE2 3.93Å; K245-Y291 HydrophobicContact CG-CG 4.22Å; K245-Y291 WeakPolarHBondContact O-CE1 3.41Å; K245-W300 HydrophobicContact CB-CH2 3.81Å; K245-W300 HydrophobicContact CB-CZ3 4.17Å
246	E	96.1	Very high	96.3	Very high	7 Å²	7	24.5 Å²	24.5	3%	0.033	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-40	179.7	-68.4	174.6	-170.3	0	0	111.7	F114 G116 A117 V122 Q242 A249 T250	F114-E246 HydrophobicContact CE1-CB 4.21Å; F114-E246 HydrophobicContact CZ-CB 3.63Å; G116-E246 WeakPolarHBondContact CA-OE2 3.36Å; A117-E246 PolarHBondContact N-OE2 3.02Å; V122-E246 HydrophobicContact CG1-CG 4.39Å; Q242-E246 PolarHBondContact NE2-OE1 3.46Å; Q242-E246 WeakPolarHBondContact O-CG 3.44Å; Q242-E246 PolarHBondContact O-N 3.35Å; E246-A249 PolarHBondContact O-N 3.11Å; E246-T250 WeakPolarHBondContact O-CB 3.39Å; E246-T250 WeakPolarHBondContact O-CG2 3.3Å; E246-T250 PolarHBondContact O-N 3.31Å; E246-T250 PolarHBondContact O-OG1 2.91Å
247	G	95.9	Very high	96.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-48.8	175.8	0	0	0	0	0	111.7	A243 L244 A249 T250 I251	A243-G247 PolarHBondContact O-N 2.91Å; L244-G247 PolarHBondContact O-N 3.29Å; G247-A249 VanDerWaalsContact C-N 3.25Å; G247-A249 PolarHBondContact O-N 2.98Å; G247-T250 PolarHBondContact O-N 2.04Å; G247-I251 WeakPolarHBondContact O-CA 3.43Å; G247-I251 WeakPolarHBondContact O-CB 3.29Å; G247-I251 PolarHBondContact O-N 3.5Å
248	I	97.9	Very high	96.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.9	-41	175.3	-66.8	163.8	0	0	0	110.6	L126 W128 L244 K245 G252 I254 A288 Y291 W300	L126-I248 HydrophobicContact CD2-CG2 4.17Å; W128-I248 WeakPolarHBondContact CZ2-O 3.41Å; W128-I248 PolarHBondContact NE1-O 3.21Å; L244-I248 HydrophobicContact CD1-CD1 3.92Å; L244-I248 HydrophobicContact CD1-CG1 4.13Å; L244-I248 HydrophobicContact CG-CD1 3.91Å; L244-I248 VanDerWaalsContact O-CG1 3.26Å; L244-I248 WeakPolarHBondContact O-CG1 3.41Å; L244-I248 PolarHBondContact O-N 2.58Å; K245-I248 PolarHBondContact O-N 3.25Å; I248-G252 WeakPolarHBondContact CA-O 3.27Å; I248-G252 PolarHBondContact O-N 2.7Å; I248-I254 HydrophobicContact CG1-CB 4.22Å; I248-I254 HydrophobicContact CG1-CG1 3.66Å; I248-A288 HydrophobicContact CD1-CB 3.63Å; I248-A288 HydrophobicContact CG1-CB 4.3Å; I248-Y291 HydrophobicContact CB-CD1 4.26Å; I248-Y291 HydrophobicContact CB-CE1 4.17Å; I248-Y291 HydrophobicContact CD1-CD1 4.46Å; I248-Y291 HydrophobicContact CG2-CD1 4.04Å; I248-Y291 HydrophobicContact CG2-CE1 4.05Å; I248-W300 HydrophobicContact CD1-CE3 3.74Å; I248-W300 HydrophobicContact CD1-CZ3 3.62Å
249	A	97.1	Very high	97	Very high	19 Å²	19	16.6 Å²	16.6	16%	0.157	10%	0.097	C	C	.	.	H	α-helix	trans	-67.4	-41.8	-178.2	0	0	0	0	0	114	V122 L126 K245 E246 G247 Y291	V122-A249 HydrophobicContact CB-CB 3.7Å; V122-A249 HydrophobicContact CG1-CB 3.54Å; L126-A249 HydrophobicContact CD2-CB 4.23Å; K245-A249 WeakPolarHBondContact O-CB 3.38Å; K245-A249 PolarHBondContact O-N 2.84Å; E246-A249 PolarHBondContact O-N 3.11Å; G247-A249 VanDerWaalsContact C-N 3.25Å; G247-A249 PolarHBondContact O-N 2.98Å; A249-Y291 HydrophobicContact CB-CE1 4.43Å; A249-Y291 WeakPolarHBondContact CB-OH 3.28Å
250	T	94.7	Very high	97.1	Very high	71 Å²	71	15.3 Å²	15.3	44%	0.436	8%	0.083	S	C	.	.	H	α-helix	trans	-100.4	-30.8	-168.3	59	0	0	0	0	112.9	V122 K161 E246 G247	V122-T250 HydrophobicContact CG1-CG2 4.41Å; K161-T250 PolarHBondContact NZ-O 3Å; E246-T250 WeakPolarHBondContact O-CB 3.39Å; E246-T250 WeakPolarHBondContact O-CG2 3.3Å; E246-T250 PolarHBondContact O-N 3.31Å; E246-T250 PolarHBondContact O-OG1 2.91Å; G247-T250 PolarHBondContact O-N 2.04Å
251	I	95.4	Very high	97.1	Very high	19 Å²	19	16.1 Å²	16.1	10%	0.097	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-47.3	-177.6	-64.2	155.1	0	0	0	111	F114 Q158 K161 G247 I254 Y334	F114-I251 HydrophobicContact CD2-CD1 3.94Å; F114-I251 HydrophobicContact CE2-CD1 3.96Å; Q158-I251 PolarHBondContact NE2-O 2.94Å; K161-I251 VanDerWaalsContact CD-O 3.3Å; K161-I251 WeakPolarHBondContact CD-O 3.37Å; K161-I251 PolarHBondContact NZ-O 3.43Å; G247-I251 WeakPolarHBondContact O-CA 3.43Å; G247-I251 WeakPolarHBondContact O-CB 3.29Å; G247-I251 PolarHBondContact O-N 3.5Å; I251-I254 HydrophobicContact CB-CD1 4.18Å; I251-I254 HydrophobicContact CG2-CD1 4.05Å; I251-Y334 HydrophobicContact CD1-CD1 3.96Å; I251-Y334 HydrophobicContact CD1-CD2 4.04Å; I251-Y334 HydrophobicContact CD1-CE1 3.49Å; I251-Y334 VanDerWaalsContact CD1-CE1 3.49Å; I251-Y334 HydrophobicContact CD1-CE2 3.56Å; I251-Y334 HydrophobicContact CD1-CG 4.21Å; I251-Y334 HydrophobicContact CG1-CD2 4.48Å; I251-Y334 HydrophobicContact CG1-CE2 4.12Å; I251-Y334 HydrophobicContact CG2-CD2 3.54Å; I251-Y334 HydrophobicContact CG2-CE2 4Å; I251-Y334 HydrophobicContact CG2-CG 3.9Å
252	G	97.3	Very high	96.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.09	C	C	.	.			trans	130.6	-160.8	-173.2	0	0	0	0	0	111.5	I248 I254	I248-G252 WeakPolarHBondContact CA-O 3.27Å; I248-G252 PolarHBondContact O-N 2.7Å; G252-I254 WeakPolarHBondContact O-CG1 3.2Å; G252-I254 PolarHBondContact O-N 2.86Å
253	P	98.6	Very high	96.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-55.5	135.9	173	-27.3	36.4	0	0	0	113.1	W128 L133 V134 L287 A288 V289	W128-P253 HydrophobicContact CB-CG 4.13Å; W128-P253 HydrophobicContact CG-CG 4.18Å; L133-P253 HydrophobicContact CB-CG 4.33Å; V134-P253 HydrophobicContact CG2-CG 4.21Å; P253-L287 HydrophobicContact CB-CD1 3.91Å; P253-L287 HydrophobicContact CB-CD2 3.88Å; P253-L287 HydrophobicContact CB-CG 3.93Å; P253-A288 VanDerWaalsContact CA-O 3.32Å; P253-A288 WeakPolarHBondContact CA-O 3.29Å; P253-V289 HydrophobicContact CB-CG1 4.21Å; P253-V289 HydrophobicContact CG-CG1 4.48Å
254	I	98.8	Very high	96.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.2	-175.9	-55.5	-61.3	0	0	0	109.9	L236 L244 I248 I251 G252 V256 A288 C333 Y334	L236-I254 HydrophobicContact CD1-CG1 4.47Å; L236-I254 HydrophobicContact CD1-CG2 4Å; L244-I254 HydrophobicContact CD1-CB 4.24Å; L244-I254 HydrophobicContact CD1-CG1 4.49Å; L244-I254 HydrophobicContact CD1-CG2 4.01Å; I248-I254 HydrophobicContact CG1-CB 4.22Å; I248-I254 HydrophobicContact CG1-CG1 3.66Å; I251-I254 HydrophobicContact CB-CD1 4.18Å; I251-I254 HydrophobicContact CG2-CD1 4.05Å; G252-I254 WeakPolarHBondContact O-CG1 3.2Å; G252-I254 PolarHBondContact O-N 2.86Å; I254-V256 HydrophobicContact CG2-CG1 4.17Å; I254-V256 PolarHBondContact O-N 3.42Å; I254-A288 PolarHBondContact N-O 3.49Å; I254-A288 PolarHBondContact O-N 3.37Å; I254-C333 WeakPolarHBondContact CG2-O 3.39Å; I254-Y334 HydrophobicContact CD1-CD1 3.93Å; I254-Y334 HydrophobicContact CD1-CG 3.95Å
255	S	98.9	Very high	97	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.2	170.3	-66.2	0	0	0	0	109.5	S150 A154 G332 C333	S150-S255 PolarHBondContact O-OG 3.49Å; S150-S255 WeakPolarHBondContact OG-CA 3.23Å; S150-S255 WeakPolarHBondContact OG-CB 3.49Å; S150-S255 PolarHBondContact OG-OG 3.06Å; A154-S255 VanDerWaalsContact CB-OG 3.31Å; A154-S255 WeakPolarHBondContact CB-OG 3.42Å; S255-G332 WeakPolarHBondContact O-CA 3.31Å; S255-C333 WeakPolarHBondContact CB-O 3.4Å; S255-C333 PolarHBondContact N-O 3.45Å; S255-C333 PolarHBondContact O-N 2.86Å
256	V	98.8	Very high	96.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	162.1	178.6	-60.8	0	0	0	0	110.4	L244 I254 A285 V286 A288 I328	L244-V256 HydrophobicContact CD1-CG1 3.96Å; L244-V256 HydrophobicContact CD2-CG1 4.33Å; I254-V256 HydrophobicContact CG2-CG1 4.17Å; I254-V256 PolarHBondContact O-N 3.42Å; V256-A285 WeakPolarHBondContact O-CA 3.49Å; V256-V286 HydrophobicContact CG2-CG2 3.5Å; V256-V286 PolarHBondContact N-O 2.67Å; V256-V286 PolarHBondContact O-N 2.84Å; V256-V286 VanDerWaalsContact O-O 3.1Å; V256-A288 HydrophobicContact CG1-CB 4.05Å; V256-A288 HydrophobicContact CG2-CB 4.22Å; V256-I328 HydrophobicContact CB-CG1 4.24Å; V256-I328 WeakPolarHBondContact CB-O 3.26Å; V256-I328 HydrophobicContact CG2-CD1 4.43Å; V256-I328 HydrophobicContact CG2-CG1 3.91Å
257	A	98.5	Very high	97.1	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144.6	173	0	0	0	0	0	109.5	L101 M191 V282 H284 G327 I328 Y331	L101-A257 HydrophobicContact CD1-CB 3.75Å; L101-A257 HydrophobicContact CD2-CB 3.83Å; L101-A257 HydrophobicContact CG-CB 4.49Å; M191-A257 HydrophobicContact CE-CB 4.36Å; A257-V282 HydrophobicContact CB-CB 3.84Å; A257-V282 HydrophobicContact CB-CG1 4.22Å; A257-V282 HydrophobicContact CB-CG2 3.65Å; A257-H284 CarbonylContact C-O 3.6Å; A257-H284 VanDerWaalsContact CA-O 3.23Å; A257-H284 WeakPolarHBondContact CA-O 3.48Å; A257-G327 VanDerWaalsContact O-O 3.14Å; A257-I328 WeakPolarHBondContact O-CA 3.28Å; A257-Y331 HydrophobicContact CB-CD2 4.18Å; A257-Y331 HydrophobicContact CB-CG 4.49Å
258	I	98.7	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	159	-177.8	60.5	171.4	0	0	0	111.6	F265 V282 N283 H284 V286 M318 C326 I328	I258-F265 HydrophobicContact CD1-CE1 4.5Å; I258-F265 HydrophobicContact CD1-CE2 3.5Å; I258-F265 HydrophobicContact CD1-CZ 3.45Å; I258-F265 VanDerWaalsContact CD1-CZ 3.45Å; I258-V282 WeakPolarHBondContact O-CA 3.1Å; I258-N283 PolarHBondContact O-N 3.09Å; I258-N283 PolarHBondContact O-OD1 3.34Å; I258-H284 HydrophobicContact CG1-CB 4.05Å; I258-H284 PolarHBondContact N-O 3.39Å; I258-H284 PolarHBondContact O-N 3.43Å; I258-V286 HydrophobicContact CD1-CG1 3.98Å; I258-V286 HydrophobicContact CD1-CG2 3.95Å; I258-V286 HydrophobicContact CG1-CG1 4.39Å; I258-V286 HydrophobicContact CG1-CG2 4.09Å; I258-V286 HydrophobicContact CG2-CG2 4.09Å; I258-M318 HydrophobicContact CB-CE 4.14Å; I258-M318 HydrophobicContact CD1-CE 3.94Å; I258-M318 HydrophobicContact CD1-SD 3.65Å; I258-M318 HydrophobicContact CG2-CE 3.94Å; I258-M318 HydrophobicContact CG2-SD 3.95Å; I258-C326 CarbonylContact C-O 3.02Å; I258-C326 VanDerWaalsContact CA-O 3.29Å; I258-C326 WeakPolarHBondContact CA-O 3.5Å; I258-I328 HydrophobicContact CG2-CB 3.87Å; I258-I328 HydrophobicContact CG2-CD1 4.14Å; I258-I328 HydrophobicContact CG2-CG1 3.77Å
259	D	97.9	Very high	97.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.115	C	C	.	.			trans	-82.2	107.3	164.2	-177.5	14.4	0	0	0	110.4	R261 T279 C326	D259-R261 WeakPolarHBondContact OD1-CB 2.89Å; D259-R261 WeakPolarHBondContact OD1-CG 3.05Å; D259-R261 PolarHBondContact OD1-N 3.34Å; D259-R261 IonicContact OD1-NH1 3.15Å; D259-R261 PolarHBondContact OD1-NH1 3.07Å; D259-T279 VanDerWaalsContact CB-O 3.3Å; D259-T279 WeakPolarHBondContact CB-O 3.16Å; D259-T279 WeakPolarHBondContact OD2-CB 3.38Å; D259-T279 PolarHBondContact OD2-N 3.12Å; D259-T279 PolarHBondContact OD2-OG1 3.44Å; D259-C326 HydrophobicContact CB-CB 4.31Å; D259-C326 PolarHBondContact N-O 3.23Å
260	A	97	Very high	97.3	Very high	2 Å²	2	26.2 Å²	26.2	2%	0.017	12%	0.121	C	C	.	.			trans	-109.8	18.3	179.8	0	0	0	0	0	112.9	T99 R262 F265 N283 H284	T99-A260 HydrophobicContact CG2-CB 3.81Å; A260-R262 VanDerWaalsContact C-N 3.26Å; A260-R262 PolarHBondContact O-N 3.26Å; A260-F265 HydrophobicContact CB-CD1 3.66Å; A260-F265 HydrophobicContact CB-CD2 4.45Å; A260-F265 HydrophobicContact CB-CE1 3.74Å; A260-F265 HydrophobicContact CB-CE2 4.49Å; A260-F265 HydrophobicContact CB-CG 4.05Å; A260-F265 HydrophobicContact CB-CZ 4.17Å; A260-N283 PolarHBondContact N-OD1 3.5Å; A260-H284 HydrophobicContact CB-CB 3.62Å
261	R	94.4	Very high	97.5	Very high	86 Å²	86	23.5 Å²	23.5	33%	0.325	11%	0.107	S	C	.	.			trans	-70.2	-18.2	-176.4	-68.7	-175.3	-174.5	73.6	-5.7	114.8	M95 D259 N281 N283	M95-R261 HydrophobicContact CG-CG 4.36Å; M95-R261 HydrophobicContact SD-CB 4.26Å; M95-R261 HydrophobicContact SD-CG 3.73Å; D259-R261 WeakPolarHBondContact OD1-CB 2.89Å; D259-R261 WeakPolarHBondContact OD1-CG 3.05Å; D259-R261 PolarHBondContact OD1-N 3.34Å; D259-R261 IonicContact OD1-NH1 3.15Å; D259-R261 PolarHBondContact OD1-NH1 3.07Å; R261-N281 PolarHBondContact NH1-O 2.89Å; R261-N283 WeakPolarHBondContact CG-ND2 3.19Å
262	R	94.1	Very high	97.6	Very high	77 Å²	77	22.7 Å²	22.7	29%	0.291	10%	0.103	S	C	.	.	S	Bend	trans	-74.7	131.3	-173.9	-56	-54.6	176.7	-155.1	-0.4	109.2	A260 R264 F265 S277	A260-R262 VanDerWaalsContact C-N 3.26Å; A260-R262 PolarHBondContact O-N 3.26Å; R262-R264 PolarHBondContact O-N 2.63Å; R262-R264 VanDerWaalsContact O-N 3.1Å; R262-F265 VanDerWaalsContact O-CB 3.28Å; R262-F265 WeakPolarHBondContact O-CB 3.44Å; R262-F265 PolarHBondContact O-N 3.2Å; R262-S277 VanDerWaalsContact CZ-O 3.27Å; R262-S277 PolarHBondContact NE-O 3.09Å; R262-S277 VanDerWaalsContact NE-O 3.08Å; R262-S277 PolarHBondContact NE-OG 2.95Å; R262-S277 PolarHBondContact NH2-O 3.45Å
263	P	93.9	Very high	97.7	Very high	43 Å²	43	22.7 Å²	22.7	28%	0.279	10%	0.103	S	C	.	.	H	α-helix	trans	-55.7	-31.6	176.6	-27.6	35	0	0	0	113.1	L64 P91 F265 A266 F267	L64-P263 HydrophobicContact CD1-CB 3.78Å; L64-P263 HydrophobicContact CD1-CG 4.45Å; P91-P263 HydrophobicContact CG-CG 4.21Å; P263-F265 VanDerWaalsContact C-N 3.26Å; P263-F265 PolarHBondContact O-N 2.92Å; P263-A266 WeakPolarHBondContact O-CB 3.46Å; P263-A266 PolarHBondContact O-N 2.93Å; P263-A266 VanDerWaalsContact O-N 3.15Å; P263-F267 WeakPolarHBondContact O-CD2 3.48Å; P263-F267 PolarHBondContact O-N 3.07Å
264	R	96.9	Very high	97.7	Very high	79 Å²	79	24.5 Å²	24.5	30%	0.298	11%	0.112	S	C	.	.	H	α-helix	trans	-60.8	-34	175.3	-59	-171.1	-170.9	109.1	-4.8	112.8	Y79 L81 R262 F267 Y268 Y273 D275	Y79-R264 HydrophobicContact CE2-CB 4.34Å; Y79-R264 WeakPolarHBondContact OH-CD 3.19Å; L81-R264 HydrophobicContact CD1-CB 4.23Å; L81-R264 HydrophobicContact CD1-CG 4.11Å; L81-R264 HydrophobicContact CD2-CB 4.21Å; L81-R264 WeakPolarHBondContact CD2-O 3.44Å; R262-R264 PolarHBondContact O-N 2.63Å; R262-R264 VanDerWaalsContact O-N 3.1Å; R264-F267 PolarHBondContact O-N 2.88Å; R264-Y268 PolarHBondContact O-N 3.45Å; R264-Y273 HydrophobicContact CB-CE2 4.23Å; R264-D275 IonicContact CZ-OD2 3.32Å; R264-D275 IonicContact NH1-OD1 3.65Å; R264-D275 IonicContact NH1-OD2 3.15Å; R264-D275 PolarHBondContact NH1-OD2 3.35Å
265	F	98	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.1	-47.3	174.1	-173.5	-84.7	0	0	0	110.6	I258 A260 R262 P263 F267 Y268 Y273 W306 F310 I316 M318	I258-F265 HydrophobicContact CD1-CE1 4.5Å; I258-F265 HydrophobicContact CD1-CE2 3.5Å; I258-F265 HydrophobicContact CD1-CZ 3.45Å; I258-F265 VanDerWaalsContact CD1-CZ 3.45Å; A260-F265 HydrophobicContact CB-CD1 3.66Å; A260-F265 HydrophobicContact CB-CD2 4.45Å; A260-F265 HydrophobicContact CB-CE1 3.74Å; A260-F265 HydrophobicContact CB-CE2 4.49Å; A260-F265 HydrophobicContact CB-CG 4.05Å; A260-F265 HydrophobicContact CB-CZ 4.17Å; R262-F265 VanDerWaalsContact O-CB 3.28Å; R262-F265 WeakPolarHBondContact O-CB 3.44Å; R262-F265 PolarHBondContact O-N 3.2Å; P263-F265 VanDerWaalsContact C-N 3.26Å; P263-F265 PolarHBondContact O-N 2.92Å; F265-F267 PolarHBondContact O-N 2.69Å; F265-Y268 WeakPolarHBondContact O-CB 3.35Å; F265-Y268 PolarHBondContact O-N 3.35Å; F265-Y268 VanDerWaalsContact O-N 3.15Å; F265-Y273 HydrophobicContact CB-CE2 4.23Å; F265-Y273 HydrophobicContact CD2-CE1 4.2Å; F265-Y273 HydrophobicContact CD2-CE2 4.48Å; F265-W306 AromaticContact CD1-CH2 3.64Å; F265-W306 HydrophobicContact CD1-CH2 3.64Å; F265-W306 AromaticContact CD1-CZ3 3.67Å; F265-W306 HydrophobicContact CD1-CZ3 3.67Å; F265-W306 HydrophobicContact CE1-CE3 4.46Å; F265-W306 AromaticContact CE1-CH2 3.51Å; F265-W306 HydrophobicContact CE1-CH2 3.51Å; F265-W306 HydrophobicContact CE1-CZ2 4.35Å; F265-W306 AromaticContact CE1-CZ3 3.56Å; F265-W306 HydrophobicContact CE1-CZ3 3.56Å; F265-F310 HydrophobicContact CD1-CZ 4.48Å; F265-F310 HydrophobicContact CE1-CE2 4.47Å; F265-F310 HydrophobicContact CE1-CZ 4.03Å; F265-F310 HydrophobicContact CZ-CZ 4.35Å; F265-F310 VanDerWaalsContact O-CE2 3.28Å; F265-F310 WeakPolarHBondContact O-CE2 3.48Å; F265-I316 HydrophobicContact CD2-CD1 3.9Å; F265-I316 HydrophobicContact CE2-CD1 3.58Å; F265-I316 HydrophobicContact CZ-CD1 4.22Å; F265-I316 HydrophobicContact CZ-CG2 4.46Å; F265-M318 HydrophobicContact CE2-CE 4.3Å; F265-M318 HydrophobicContact CE2-SD 4.25Å
266	A	97.1	Very high	97.4	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-59.7	-30.3	-179.2	0	0	0	0	0	113.7	N84 M86 I94 P263	N84-A266 PolarHBondContact ND2-O 3.22Å; M86-A266 HydrophobicContact SD-CB 4.22Å; I94-A266 HydrophobicContact CD1-CB 3.79Å; P263-A266 WeakPolarHBondContact O-CB 3.46Å; P263-A266 PolarHBondContact O-N 2.93Å; P263-A266 VanDerWaalsContact O-N 3.15Å
267	F	98.4	Very high	97.2	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	7.4	-179.3	-61.6	-61.6	0	0	0	114	N61 L64 I65 L81 S82 M83 M86 P263 R264 F265 R269	N61-F267 HydrophobicContact CB-CE1 4.48Å; N61-F267 HydrophobicContact CB-CE2 3.83Å; N61-F267 HydrophobicContact CB-CZ 3.68Å; N61-F267 VanDerWaalsContact CG-CZ 3.49Å; L64-F267 HydrophobicContact CD2-CD2 4.3Å; I65-F267 HydrophobicContact CD1-CB 4.19Å; I65-F267 HydrophobicContact CD1-CD1 3.95Å; I65-F267 HydrophobicContact CD1-CD2 4.45Å; I65-F267 HydrophobicContact CD1-CG 3.93Å; I65-F267 HydrophobicContact CG1-CB 4.06Å; I65-F267 HydrophobicContact CG1-CD2 4.48Å; I65-F267 HydrophobicContact CG1-CG 4.15Å; L81-F267 CarbonylContact C-O 3.16Å; L81-F267 WeakPolarHBondContact CA-O 3.47Å; L81-F267 HydrophobicContact CB-CB 4.14Å; L81-F267 WeakPolarHBondContact CB-O 3.06Å; L81-F267 HydrophobicContact CD1-CB 4.45Å; L81-F267 HydrophobicContact CD2-CB 4.23Å; S82-F267 PolarHBondContact N-O 2.67Å; M83-F267 HydrophobicContact SD-CE1 4.31Å; M86-F267 HydrophobicContact CB-CE1 4.4Å; P263-F267 WeakPolarHBondContact O-CD2 3.48Å; P263-F267 PolarHBondContact O-N 3.07Å; R264-F267 PolarHBondContact O-N 2.88Å; F265-F267 PolarHBondContact O-N 2.69Å; F267-R269 PolarHBondContact O-N 3.31Å
268	Y	98.8	Very high	97.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51	135.1	177.2	169.1	-91.7	0	0	0	110.2	Y79 R264 F265 S270 G271 Y273 F310 G311 Y315 I316 R317	Y79-Y268 HydrophobicContact CD2-CD2 4.01Å; Y79-Y268 HydrophobicContact CG-CD2 4.48Å; R264-Y268 PolarHBondContact O-N 3.45Å; F265-Y268 WeakPolarHBondContact O-CB 3.35Å; F265-Y268 PolarHBondContact O-N 3.35Å; F265-Y268 VanDerWaalsContact O-N 3.15Å; Y268-S270 WeakPolarHBondContact CE2-O 3.28Å; Y268-G271 WeakPolarHBondContact CE2-O 3.43Å; Y268-G271 PolarHBondContact OH-O 2.88Å; Y268-Y273 HydrophobicContact CD2-CD2 4.11Å; Y268-F310 HydrophobicContact CD1-CZ 4.41Å; Y268-G311 WeakPolarHBondContact O-CA 3.41Å; Y268-G311 PolarHBondContact O-N 2.67Å; Y268-Y315 WeakPolarHBondContact CE1-O 3.48Å; Y268-I316 HydrophobicContact CD1-CB 3.82Å; Y268-I316 HydrophobicContact CD1-CD1 3.83Å; Y268-I316 HydrophobicContact CD1-CG1 3.65Å; Y268-I316 HydrophobicContact CD2-CD1 3.92Å; Y268-I316 HydrophobicContact CD2-CG1 4Å; Y268-I316 HydrophobicContact CE1-CB 3.7Å; Y268-I316 HydrophobicContact CE1-CD1 4.31Å; Y268-I316 HydrophobicContact CE1-CG1 3.61Å; Y268-I316 HydrophobicContact CE2-CD1 4.34Å; Y268-I316 HydrophobicContact CE2-CG1 3.92Å; Y268-I316 HydrophobicContact CG-CB 4.48Å; Y268-I316 HydrophobicContact CG-CD1 3.63Å; Y268-I316 HydrophobicContact CG-CG1 3.86Å; Y268-R317 PolarHBondContact OH-N 2.98Å
269	R	98.6	Very high	97	Very high	130 Å²	130	35.7 Å²	35.7	49%	0.491	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-60.1	175.8	-177.2	-168.5	170.2	-154	5	111.3	D80 S82 F267 G311 D312	D80-R269 PolarHBondContact O-N 3.31Å; D80-R269 WeakPolarHBondContact OD2-CD 3.47Å; D80-R269 IonicContact OD2-CZ 3.07Å; D80-R269 IonicContact OD2-NE 3.56Å; D80-R269 IonicContact OD2-NH1 2.93Å; D80-R269 PolarHBondContact OD2-NH1 2.76Å; S82-R269 WeakPolarHBondContact OG-CB 3.46Å; F267-R269 PolarHBondContact O-N 3.31Å; R269-G311 CarbonylContact O-C 3.45Å; R269-G311 WeakPolarHBondContact O-CA 3.49Å; R269-D312 PolarHBondContact O-N 2.65Å; R269-D312 VanDerWaalsContact O-N 3.07Å
270	S	98.5	Very high	96.9	Very high	40 Å²	40	40.2 Å²	40.2	28%	0.28	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	174.3	-174.9	74.3	0	0	0	0	112.2	Y79 D80 Y268	Y79-S270 WeakPolarHBondContact CA-O 3.15Å; Y79-S270 WeakPolarHBondContact CB-O 3.48Å; D80-S270 PolarHBondContact N-O 3.16Å; D80-S270 WeakPolarHBondContact OD1-CA 3.38Å; D80-S270 WeakPolarHBondContact OD1-CB 3.41Å; D80-S270 PolarHBondContact OD1-N 3.08Å; D80-S270 PolarHBondContact OD1-OG 3.39Å; Y268-S270 WeakPolarHBondContact CE2-O 3.28Å
271	G	98.6	Very high	96.8	Very high	14 Å²	14	45.7 Å²	45.7	14%	0.144	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.6	-169.6	-174.3	0	0	0	0	0	113.2	T78 Y268 R317	T78-G271 CarbonylContact O-C 3.59Å; T78-G271 WeakPolarHBondContact O-CA 3.45Å; Y268-G271 WeakPolarHBondContact CE2-O 3.43Å; Y268-G271 PolarHBondContact OH-O 2.88Å; G271-R317 WeakPolarHBondContact O-CB 3.26Å
272	V	98.8	Very high	96.9	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.2	177.9	-178.5	0	0	0	0	108.8	T78 Y79 D274 L294 Q297 Y299 A319	T78-V272 CarbonylContact C-O 3.5Å; T78-V272 PolarHBondContact O-N 3.28Å; T78-V272 PolarHBondContact OG1-O 3.3Å; Y79-V272 WeakPolarHBondContact CB-O 3.12Å; Y79-V272 WeakPolarHBondContact CD1-O 3.4Å; V272-D274 PolarHBondContact O-N 3.4Å; V272-L294 HydrophobicContact CG2-CB 4.02Å; V272-L294 HydrophobicContact CG2-CD2 4.26Å; V272-Q297 HydrophobicContact CB-CB 4.36Å; V272-Q297 HydrophobicContact CG1-CB 4.39Å; V272-Q297 HydrophobicContact CG2-CB 4.08Å; V272-Y299 HydrophobicContact CG2-CD1 4.24Å; V272-A319 HydrophobicContact CG1-CB 4.22Å
273	Y	98.8	Very high	97.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	102.3	176.4	-176.7	-91	0	0	0	109.8	Y79 R264 F265 Y268 D275 I316 R317 A319	Y79-Y273 AromaticContact CD2-CD2 3.94Å; Y79-Y273 HydrophobicContact CD2-CD2 3.94Å; Y79-Y273 HydrophobicContact CE1-CD2 4.29Å; Y79-Y273 AromaticContact CE2-CD2 3.57Å; Y79-Y273 HydrophobicContact CE2-CD2 3.57Å; Y79-Y273 AromaticContact CE2-CE2 3.82Å; Y79-Y273 HydrophobicContact CE2-CE2 3.82Å; Y79-Y273 HydrophobicContact CG-CD2 4.42Å; Y79-Y273 AromaticContact CZ-CD2 3.77Å; Y79-Y273 AromaticContact CZ-CE2 3.88Å; R264-Y273 HydrophobicContact CB-CE2 4.23Å; F265-Y273 HydrophobicContact CB-CE2 4.23Å; F265-Y273 HydrophobicContact CD2-CE1 4.2Å; F265-Y273 HydrophobicContact CD2-CE2 4.48Å; Y268-Y273 HydrophobicContact CD2-CD2 4.11Å; Y273-D275 HydrophobicContact CE1-CB 3.89Å; Y273-D275 HydrophobicContact CE2-CB 4.4Å; Y273-I316 HydrophobicContact CD1-CD1 4.49Å; Y273-I316 HydrophobicContact CD2-CD1 4.21Å; Y273-I316 HydrophobicContact CG-CD1 3.93Å; Y273-R317 WeakPolarHBondContact CB-O 3.29Å; Y273-R317 PolarHBondContact N-O 3.08Å; Y273-A319 WeakPolarHBondContact O-CB 3.3Å; Y273-A319 PolarHBondContact O-N 3.46Å
274	D	98.1	Very high	97.3	Very high	38 Å²	38	36.4 Å²	36.4	20%	0.203	20%	0.199	C	C	.	.			trans	-119.3	98.5	172.9	-169.1	-13.3	0	0	0	107.9	V272 A319 K322 Q325	V272-D274 PolarHBondContact O-N 3.4Å; D274-A319 HydrophobicContact CB-CB 4.1Å; D274-K322 IonicContact OD2-NZ 2.84Å; D274-K322 PolarHBondContact OD2-NZ 3.48Å; D274-Q325 PolarHBondContact OD1-NE2 3.45Å
275	D	96.7	Very high	97.4	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.043	19%	0.185	C	C	.	.			trans	-122	101.6	175.7	-168.6	-32	0	0	0	109.2	R264 Y273 S277 C278 Q325	R264-D275 IonicContact CZ-OD2 3.32Å; R264-D275 IonicContact NH1-OD1 3.65Å; R264-D275 IonicContact NH1-OD2 3.15Å; R264-D275 PolarHBondContact NH1-OD2 3.35Å; Y273-D275 HydrophobicContact CE1-CB 3.89Å; Y273-D275 HydrophobicContact CE2-CB 4.4Å; D275-S277 PolarHBondContact O-N 3.49Å; D275-S277 VanDerWaalsContact OD1-CB 3.23Å; D275-S277 WeakPolarHBondContact OD1-CB 3.44Å; D275-S277 PolarHBondContact OD1-N 2.99Å; D275-S277 PolarHBondContact OD1-OG 2.78Å; D275-C278 VanDerWaalsContact O-CB 3.29Å; D275-C278 WeakPolarHBondContact O-CB 3.1Å; D275-C278 PolarHBondContact O-N 2.91Å; D275-Q325 PolarHBondContact O-OE1 3.39Å
276	S	94.1	Very high	97.4	Very high	116 Å²	116	32.8 Å²	32.8	81%	0.811	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-12.4	-179.7	61.1	0	0	0	0	114.4	C278	S276-C278 VanDerWaalsContact C-N 3.31Å
277	S	95.8	Very high	97.5	Very high	47 Å²	47	32.9 Å²	32.9	33%	0.329	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.9	172.3	78.2	0	0	0	0	113.5	R262 D275 T279	R262-S277 VanDerWaalsContact CZ-O 3.27Å; R262-S277 PolarHBondContact NE-O 3.09Å; R262-S277 VanDerWaalsContact NE-O 3.08Å; R262-S277 PolarHBondContact NE-OG 2.95Å; R262-S277 PolarHBondContact NH2-O 3.45Å; D275-S277 PolarHBondContact O-N 3.49Å; D275-S277 VanDerWaalsContact OD1-CB 3.23Å; D275-S277 WeakPolarHBondContact OD1-CB 3.44Å; D275-S277 PolarHBondContact OD1-N 2.99Å; D275-S277 PolarHBondContact OD1-OG 2.78Å; S277-T279 PolarHBondContact O-N 3.28Å
278	C	96	Very high	97.5	Very high	20 Å²	20	32.9 Å²	32.9	14%	0.135	19%	0.185	C	C	.	.			trans	-54.9	140.6	171.2	-100.9	0	0	0	0	111.1	D275 S276 Q325 C326	D275-C278 VanDerWaalsContact O-CB 3.29Å; D275-C278 WeakPolarHBondContact O-CB 3.1Å; D275-C278 PolarHBondContact O-N 2.91Å; S276-C278 VanDerWaalsContact C-N 3.31Å; C278-Q325 HydrophobicContact CB-CG 3.99Å; C278-C326 HydrophobicContact CB-CB 3.77Å; C278-C326 WeakPolarHBondContact CB-SG 3.48Å; C278-C326 WeakPolarHBondContact SG-CB 3.44Å; C278-C326 CovalentContact SG-SG 2.04Å; C278-C326 PolarHBondContact SG-SG 2.83Å
279	T	95.8	Very high	97.5	Very high	45 Å²	45	32.9 Å²	32.9	28%	0.276	19%	0.185	S	C	.	.			trans	-105.9	172.9	173.2	72.8	0	0	0	0	110.4	D259 S277 N281 C326	D259-T279 VanDerWaalsContact CB-O 3.3Å; D259-T279 WeakPolarHBondContact CB-O 3.16Å; D259-T279 WeakPolarHBondContact OD2-CB 3.38Å; D259-T279 PolarHBondContact OD2-N 3.12Å; D259-T279 PolarHBondContact OD2-OG1 3.44Å; S277-T279 PolarHBondContact O-N 3.28Å; T279-N281 VanDerWaalsContact C-N 3.3Å; T279-N281 WeakPolarHBondContact OG1-CB 3.35Å; T279-N281 PolarHBondContact OG1-N 3.38Å; T279-C326 CarbonylContact O-C 3.48Å; T279-C326 VanDerWaalsContact O-C 3.31Å; T279-C326 VanDerWaalsContact O-CA 3.25Å; T279-C326 WeakPolarHBondContact O-CA 3.28Å
280	Q	95.5	Very high	97.5	Very high	95 Å²	95	26.7 Å²	26.7	44%	0.444	16%	0.162	S	C	.	.	S	Bend	trans	-90.1	4.3	170.3	-81.1	-178.1	-5.3	0	0	112.7	V282 L330	Q280-V282 PolarHBondContact O-N 2.83Å; Q280-V282 VanDerWaalsContact O-N 3.07Å; Q280-L330 HydrophobicContact CB-CD1 3.72Å; Q280-L330 HydrophobicContact CG-CD1 4.02Å; Q280-L330 WeakPolarHBondContact O-CD1 3.38Å
281	N	95.4	Very high	97.5	Very high	116 Å²	116	24.8 Å²	24.8	62%	0.62	15%	0.149	S	C	*	.			trans	-80.5	85.4	173.2	-64.1	-37.6	0	0	0	108.6	R261 T279	R261-N281 PolarHBondContact NH1-O 2.89Å; T279-N281 VanDerWaalsContact C-N 3.3Å; T279-N281 WeakPolarHBondContact OG1-CB 3.35Å; T279-N281 PolarHBondContact OG1-N 3.38Å
282	V	97.3	Very high	97.5	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.03	14%	0.142	C	C	.	.			trans	-68.8	152.1	-176.3	-57.3	0	0	0	0	112.6	L101 P103 A257 I258 Q280 L330 Y331	L101-V282 HydrophobicContact CD2-CB 4.4Å; L101-V282 HydrophobicContact CD2-CG2 3.74Å; P103-V282 HydrophobicContact CG-CG2 3.57Å; A257-V282 HydrophobicContact CB-CB 3.84Å; A257-V282 HydrophobicContact CB-CG1 4.22Å; A257-V282 HydrophobicContact CB-CG2 3.65Å; I258-V282 WeakPolarHBondContact O-CA 3.1Å; Q280-V282 PolarHBondContact O-N 2.83Å; Q280-V282 VanDerWaalsContact O-N 3.07Å; V282-L330 HydrophobicContact CG1-CD1 4.31Å; V282-Y331 HydrophobicContact CG1-CD2 4.36Å; V282-Y331 HydrophobicContact CG2-CD2 3.59Å; V282-Y331 HydrophobicContact CG2-CE2 3.5Å; V282-Y331 VanDerWaalsContact CG2-CE2 3.5Å
283	N	97.1	Very high	97.5	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.037	16%	0.162	C	C	.	.			trans	-147.1	-3.1	176.7	67.7	-13.6	0	0	0	114.7	T99 T100 L101 I258 A260 R261	T99-N283 CarbonylContact C-O 2.94Å; T99-N283 WeakPolarHBondContact CA-O 3.3Å; T99-N283 WeakPolarHBondContact CB-O 3.5Å; T99-N283 PolarHBondContact OG1-ND2 3.39Å; T100-N283 PolarHBondContact N-O 3.1Å; L101-N283 WeakPolarHBondContact CB-O 3.02Å; L101-N283 PolarHBondContact N-O 2.95Å; I258-N283 PolarHBondContact O-N 3.09Å; I258-N283 PolarHBondContact O-OD1 3.34Å; A260-N283 PolarHBondContact N-OD1 3.5Å; R261-N283 WeakPolarHBondContact CG-ND2 3.19Å
284	H	98.4	Very high	97.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.5	-179.3	-170.7	35.2	0	0	0	110.5	Y98 T99 C146 A257 I258 A260 V286 N304 W306	Y98-H284 PolarHBondContact O-CE1 3.35Å; Y98-H284 PolarHBondContact O-ND1 2.99Å; T99-H284 HydrophobicContact CG2-CB 3.86Å; C146-H284 WeakPolarHBondContact CB-CE1 3.25Å; C146-H284 VanDerWaalsContact CB-ND1 3.3Å; C146-H284 WeakPolarHBondContact CB-ND1 3.41Å; A257-H284 CarbonylContact C-O 3.6Å; A257-H284 VanDerWaalsContact CA-O 3.23Å; A257-H284 WeakPolarHBondContact CA-O 3.48Å; I258-H284 HydrophobicContact CG1-CB 4.05Å; I258-H284 PolarHBondContact N-O 3.39Å; I258-H284 PolarHBondContact O-N 3.43Å; A260-H284 HydrophobicContact CB-CB 3.62Å; H284-V286 VanDerWaalsContact CD2-CG1 3.42Å; H284-V286 WeakPolarHBondContact CD2-CG1 3.17Å; H284-V286 WeakPolarHBondContact NE2-CG1 3.47Å; H284-N304 PolarHBondContact NE2-OD1 3.22Å; H284-W306 AromaticContact CD2-CZ2 3.83Å; H284-W306 AromaticContact CE1-CE2 3.81Å; H284-W306 AromaticContact CE1-CZ2 3.87Å; H284-W306 AromaticContact CE1-NE1 3.42Å; H284-W306 PolarHBondContact CE1-NE1 2.87Å; H284-W306 AromaticContact NE2-CE2 3.56Å; H284-W306 AromaticContact NE2-CZ2 3.54Å; H284-W306 AromaticContact NE2-NE1 3.56Å
285	A	98.7	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.8	176.8	0	0	0	0	0	109.6	L101 C146 W147 M191 V256	L101-A285 HydrophobicContact CB-CB 4.33Å; L101-A285 HydrophobicContact CD1-CB 3.56Å; C146-A285 HydrophobicContact CB-CB 4.21Å; W147-A285 HydrophobicContact CB-CB 4.32Å; M191-A285 HydrophobicContact CE-CB 4.41Å; M191-A285 HydrophobicContact CG-CB 4.33Å; M191-A285 HydrophobicContact SD-CB 3.58Å; M191-A285 VanDerWaalsContact SD-CB 3.58Å; V256-A285 WeakPolarHBondContact O-CA 3.49Å
286	V	98.9	Very high	97.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	176.2	-179	-64.7	0	0	0	0	109.5	S150 V256 I258 H284 V302	S150-V286 PolarHBondContact OG-O 3.21Å; V256-V286 HydrophobicContact CG2-CG2 3.5Å; V256-V286 PolarHBondContact N-O 2.67Å; V256-V286 PolarHBondContact O-N 2.84Å; V256-V286 VanDerWaalsContact O-O 3.1Å; I258-V286 HydrophobicContact CD1-CG1 3.98Å; I258-V286 HydrophobicContact CD1-CG2 3.95Å; I258-V286 HydrophobicContact CG1-CG1 4.39Å; I258-V286 HydrophobicContact CG1-CG2 4.09Å; I258-V286 HydrophobicContact CG2-CG2 4.09Å; H284-V286 VanDerWaalsContact CD2-CG1 3.42Å; H284-V286 WeakPolarHBondContact CD2-CG1 3.17Å; H284-V286 WeakPolarHBondContact NE2-CG1 3.47Å; V286-V302 HydrophobicContact CB-CG1 3.49Å; V286-V302 VanDerWaalsContact CB-CG1 3.49Å; V286-V302 HydrophobicContact CG1-CG1 4.18Å; V286-V302 HydrophobicContact CG2-CG1 3.32Å
287	L	98.9	Very high	97.6	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.4	-179.9	-174.9	77.4	0	0	0	109.8	A154 P253 V289 V302 K303	A154-L287 HydrophobicContact CB-CD1 3.83Å; P253-L287 HydrophobicContact CB-CD1 3.91Å; P253-L287 HydrophobicContact CB-CD2 3.88Å; P253-L287 HydrophobicContact CB-CG 3.93Å; L287-V289 HydrophobicContact CB-CG1 4.41Å; L287-V289 HydrophobicContact CD2-CG1 3.58Å; L287-V289 HydrophobicContact CG-CG1 3.78Å; L287-V289 PolarHBondContact O-N 3.02Å; L287-V302 CarbonylContact O-C 3.6Å; L287-V302 WeakPolarHBondContact O-CA 3.34Å; L287-K303 HydrophobicContact CB-CB 4.23Å; L287-K303 HydrophobicContact CD2-CD 4.27Å; L287-K303 PolarHBondContact N-O 3.05Å; L287-K303 PolarHBondContact O-N 2.72Å
288	A	98.9	Very high	97.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.1	171.3	0	0	0	0	0	108.9	I248 P253 I254 V256	I248-A288 HydrophobicContact CD1-CB 3.63Å; I248-A288 HydrophobicContact CG1-CB 4.3Å; P253-A288 VanDerWaalsContact CA-O 3.32Å; P253-A288 WeakPolarHBondContact CA-O 3.29Å; I254-A288 PolarHBondContact N-O 3.49Å; I254-A288 PolarHBondContact O-N 3.37Å; V256-A288 HydrophobicContact CG1-CB 4.05Å; V256-A288 HydrophobicContact CG2-CB 4.22Å
289	V	98.9	Very high	97.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	3.1	-172.7	-62.1	0	0	0	0	113	W128 V134 P253 L287 L301 K303 Y315	W128-V289 VanDerWaalsContact CB-O 3.29Å; W128-V289 WeakPolarHBondContact CB-O 3.24Å; W128-V289 PolarHBondContact N-O 2.92Å; V134-V289 HydrophobicContact CG1-CG1 4.06Å; V134-V289 HydrophobicContact CG2-CB 3.84Å; V134-V289 HydrophobicContact CG2-CG1 3.72Å; P253-V289 HydrophobicContact CB-CG1 4.21Å; P253-V289 HydrophobicContact CG-CG1 4.48Å; L287-V289 HydrophobicContact CB-CG1 4.41Å; L287-V289 HydrophobicContact CD2-CG1 3.58Å; L287-V289 HydrophobicContact CG-CG1 3.78Å; L287-V289 PolarHBondContact O-N 3.02Å; V289-L301 HydrophobicContact CG2-CB 4.3Å; V289-L301 HydrophobicContact CG2-CD2 3.88Å; V289-L301 HydrophobicContact CG2-CG 3.74Å; V289-L301 WeakPolarHBondContact CG2-O 3.41Å; V289-L301 PolarHBondContact N-O 3.37Å; V289-K303 HydrophobicContact CG1-CB 4.07Å; V289-Y315 HydrophobicContact CG2-CD1 4.26Å; V289-Y315 HydrophobicContact CG2-CE1 3.97Å
290	G	98.8	Very high	98	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-175.4	-176.6	0	0	0	0	0	112.3	L126 L301	L126-G290 CarbonylContact O-C 3.57Å; L126-G290 WeakPolarHBondContact O-CA 3.18Å; G290-L301 PolarHBondContact N-O 2.81Å; G290-L301 PolarHBondContact O-N 3.08Å
291	Y	98.9	Very high	98.1	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	163.1	176.8	52.5	-100.5	0	0	0	109.4	P123 D124 T125 L126 K245 I248 A249 Y299 W300	P123-Y291 WeakPolarHBondContact O-CE2 3.45Å; P123-Y291 PolarHBondContact O-OH 3.19Å; P123-Y291 VanDerWaalsContact O-OH 3.13Å; D124-Y291 WeakPolarHBondContact O-CD2 3.4Å; T125-Y291 WeakPolarHBondContact CA-O 3.35Å; L126-Y291 HydrophobicContact CB-CE1 4.06Å; L126-Y291 HydrophobicContact CB-CE2 4.02Å; L126-Y291 HydrophobicContact CD2-CE1 4.06Å; L126-Y291 PolarHBondContact N-O 3.31Å; L126-Y291 PolarHBondContact O-N 3.47Å; L126-Y291 VanDerWaalsContact O-O 3.13Å; K245-Y291 HydrophobicContact CD-CE2 4.26Å; K245-Y291 HydrophobicContact CG-CD1 3.94Å; K245-Y291 HydrophobicContact CG-CD2 4.2Å; K245-Y291 HydrophobicContact CG-CE1 3.62Å; K245-Y291 HydrophobicContact CG-CE2 3.93Å; K245-Y291 HydrophobicContact CG-CG 4.22Å; K245-Y291 WeakPolarHBondContact O-CE1 3.41Å; I248-Y291 HydrophobicContact CB-CD1 4.26Å; I248-Y291 HydrophobicContact CB-CE1 4.17Å; I248-Y291 HydrophobicContact CD1-CD1 4.46Å; I248-Y291 HydrophobicContact CG2-CD1 4.04Å; I248-Y291 HydrophobicContact CG2-CE1 4.05Å; A249-Y291 HydrophobicContact CB-CE1 4.43Å; A249-Y291 WeakPolarHBondContact CB-OH 3.28Å; Y291-Y299 WeakPolarHBondContact CA-O 3.06Å; Y291-Y299 VanDerWaalsContact CB-O 3.26Å; Y291-Y299 WeakPolarHBondContact CB-O 3.35Å; Y291-W300 HydrophobicContact CD1-CZ3 4.01Å; Y291-W300 HydrophobicContact CG-CZ3 4.28Å
292	G	98.6	Very high	98.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	-155.9	174.9	0	0	0	0	0	111.4	D298 Y299 R320	G292-D298 WeakPolarHBondContact O-CA 3Å; G292-Y299 PolarHBondContact N-O 2.95Å; G292-Y299 PolarHBondContact O-N 3.3Å; G292-R320 PolarHBondContact O-NH2 3.1Å
293	T	98.6	Very high	98.4	Very high	71 Å²	71	23.8 Å²	23.8	44%	0.436	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132	176	-52.1	0	0	0	0	108.7	Q297 D298	T293-Q297 CarbonylContact C-O 3.56Å; T293-Q297 VanDerWaalsContact CA-O 3.27Å; T293-Q297 WeakPolarHBondContact CA-O 3.25Å; T293-D298 PolarHBondContact OG1-OD1 3.28Å
294	L	98.1	Very high	98.5	Very high	52 Å²	52	23.7 Å²	23.7	27%	0.272	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.9	175.8	178	64.5	0	0	0	108.2	V272 G296 Q297 Y299	V272-L294 HydrophobicContact CG2-CB 4.02Å; V272-L294 HydrophobicContact CG2-CD2 4.26Å; L294-G296 PolarHBondContact O-N 3.14Å; L294-G296 VanDerWaalsContact O-N 3.16Å; L294-Q297 PolarHBondContact N-O 2.9Å; L294-Q297 WeakPolarHBondContact O-CB 3.22Å; L294-Q297 PolarHBondContact O-N 2.84Å; L294-Y299 HydrophobicContact CB-CD1 3.95Å; L294-Y299 HydrophobicContact CB-CE1 3.84Å
295	D	95.9	Very high	98.4	Very high	146 Å²	146	23.9 Å²	23.9	78%	0.781	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	43	179.6	-56	-38.6	0	0	0	113.4	Q297	D295-Q297 VanDerWaalsContact C-N 3.29Å; D295-Q297 PolarHBondContact O-N 2.57Å
296	G	96.4	Very high	98.4	Very high	72 Å²	72	23.9 Å²	23.9	74%	0.742	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	4.2	-179.5	0	0	0	0	0	115.3	L294	L294-G296 PolarHBondContact O-N 3.14Å; L294-G296 VanDerWaalsContact O-N 3.16Å
297	Q	97.6	Very high	98.4	Very high	44 Å²	44	24.1 Å²	24.1	21%	0.206	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.7	177.2	-71.2	170.3	82	0	0	112.5	T78 V272 T293 L294 D295	T78-Q297 VanDerWaalsContact CG2-CD 3.4Å; T78-Q297 PolarHBondContact OG1-OE1 3.3Å; V272-Q297 HydrophobicContact CB-CB 4.36Å; V272-Q297 HydrophobicContact CG1-CB 4.39Å; V272-Q297 HydrophobicContact CG2-CB 4.08Å; T293-Q297 CarbonylContact C-O 3.56Å; T293-Q297 VanDerWaalsContact CA-O 3.27Å; T293-Q297 WeakPolarHBondContact CA-O 3.25Å; L294-Q297 PolarHBondContact N-O 2.9Å; L294-Q297 WeakPolarHBondContact O-CB 3.22Å; L294-Q297 PolarHBondContact O-N 2.84Å; D295-Q297 VanDerWaalsContact C-N 3.29Å; D295-Q297 PolarHBondContact O-N 2.57Å
298	D	98.6	Very high	98.3	Very high	48 Å²	48	27.8 Å²	27.8	26%	0.257	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.4	174.1	-81.3	2.7	0	0	0	111.1	G292 T293 R320 N321	G292-D298 WeakPolarHBondContact O-CA 3Å; T293-D298 PolarHBondContact OG1-OD1 3.28Å; D298-R320 HydrophobicContact CB-CB 4.09Å; D298-R320 HydrophobicContact CB-CG 4.45Å; D298-R320 PolarHBondContact O-N 2.92Å; D298-R320 IonicContact OD1-NH2 2.88Å; D298-R320 PolarHBondContact OD1-NH2 3.14Å; D298-R320 IonicContact OD2-CZ 2.67Å; D298-R320 VanDerWaalsContact OD2-CZ 3.32Å; D298-R320 IonicContact OD2-NH1 2.87Å; D298-R320 PolarHBondContact OD2-NH1 2.96Å; D298-R320 IonicContact OD2-NH2 3.17Å; D298-R320 PolarHBondContact OD2-NH2 3.29Å; D298-R320 VanDerWaalsContact OD2-NH2 3.15Å; D298-N321 PolarHBondContact OD2-ND2 2.83Å
299	Y	98.9	Very high	98.1	Very high	31 Å²	31	30.7 Å²	30.7	12%	0.122	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	156.3	178	69.5	-98.6	0	0	0	113.8	V272 Y291 G292 L294 L301 R317 M318 R320	V272-Y299 HydrophobicContact CG2-CD1 4.24Å; Y291-Y299 WeakPolarHBondContact CA-O 3.06Å; Y291-Y299 VanDerWaalsContact CB-O 3.26Å; Y291-Y299 WeakPolarHBondContact CB-O 3.35Å; G292-Y299 PolarHBondContact N-O 2.95Å; G292-Y299 PolarHBondContact O-N 3.3Å; L294-Y299 HydrophobicContact CB-CD1 3.95Å; L294-Y299 HydrophobicContact CB-CE1 3.84Å; Y299-L301 HydrophobicContact CD2-CB 4.44Å; Y299-L301 HydrophobicContact CE2-CB 4.09Å; Y299-R317 HydrophobicContact CD2-CB 3.86Å; Y299-R317 HydrophobicContact CD2-CG 3.73Å; Y299-R317 HydrophobicContact CE2-CG 3.97Å; Y299-R317 HydrophobicContact CG-CB 3.86Å; Y299-R317 HydrophobicContact CG-CG 4.07Å; Y299-M318 CarbonylContact C-O 3.53Å; Y299-M318 WeakPolarHBondContact CA-O 3.27Å; Y299-M318 WeakPolarHBondContact CB-O 3.48Å; Y299-R320 PolarHBondContact O-NE 2.86Å
300	W	98.9	Very high	98.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.6	159.1	-61.9	113	0	0	0	109.5	E241 L244 K245 I248 Y291 V302 R317 M318 R320 I328	E241-W300 HydrophobicContact CB-CZ2 4.03Å; E241-W300 HydrophobicContact CG-CZ2 4.43Å; E241-W300 VanDerWaalsContact O-CH2 3.26Å; E241-W300 WeakPolarHBondContact O-CH2 3.44Å; E241-W300 WeakPolarHBondContact O-CZ2 3.28Å; E241-W300 PolarHBondContact OE1-NE1 2.7Å; L244-W300 HydrophobicContact CB-CH2 3.88Å; L244-W300 HydrophobicContact CB-CZ2 4.13Å; L244-W300 HydrophobicContact CD2-CD2 4.19Å; L244-W300 HydrophobicContact CD2-CE3 4.37Å; L244-W300 HydrophobicContact CD2-CH2 4.02Å; L244-W300 HydrophobicContact CD2-CZ2 3.78Å; L244-W300 HydrophobicContact CD2-CZ3 4.32Å; L244-W300 HydrophobicContact CG-CE3 4.47Å; L244-W300 HydrophobicContact CG-CH2 3.79Å; L244-W300 HydrophobicContact CG-CZ2 4.06Å; L244-W300 HydrophobicContact CG-CZ3 4.03Å; K245-W300 HydrophobicContact CB-CH2 3.81Å; K245-W300 HydrophobicContact CB-CZ3 4.17Å; I248-W300 HydrophobicContact CD1-CE3 3.74Å; I248-W300 HydrophobicContact CD1-CZ3 3.62Å; Y291-W300 HydrophobicContact CD1-CZ3 4.01Å; Y291-W300 HydrophobicContact CG-CZ3 4.28Å; W300-V302 HydrophobicContact CB-CG2 3.98Å; W300-R317 CarbonylContact O-C 3.31Å; W300-R317 VanDerWaalsContact O-CA 3.28Å; W300-R317 WeakPolarHBondContact O-CA 3.23Å; W300-M318 PolarHBondContact N-O 2.87Å; W300-M318 PolarHBondContact O-N 3.47Å; W300-R320 HydrophobicContact CD2-CB 4.11Å; W300-R320 HydrophobicContact CD2-CG 4Å; W300-R320 VanDerWaalsContact CE2-CG 3.43Å; W300-R320 HydrophobicContact CG-CB 4.06Å; W300-R320 HydrophobicContact CG-CG 4.48Å; W300-R320 VanDerWaalsContact CH2-CD 3.46Å; W300-R320 HydrophobicContact CH2-CG 4.09Å; W300-R320 HydrophobicContact CZ2-CB 4.38Å; W300-R320 VanDerWaalsContact CZ2-CD 3.43Å; W300-R320 HydrophobicContact CZ2-CG 3.52Å; W300-I328 HydrophobicContact CB-CD1 3.82Å; W300-I328 HydrophobicContact CG-CD1 3.78Å
301	L	98.9	Very high	98	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	114.5	171.2	-177.9	63.6	0	0	0	108.9	D127 V289 G290 Y299 Y315 R317	D127-L301 HydrophobicContact CB-CD2 4.33Å; D127-L301 VanDerWaalsContact CG-CD2 3.43Å; D127-L301 WeakPolarHBondContact OD1-CD2 3.3Å; D127-L301 VanDerWaalsContact OD2-CD2 3.22Å; D127-L301 WeakPolarHBondContact OD2-CD2 3.44Å; V289-L301 HydrophobicContact CG2-CB 4.3Å; V289-L301 HydrophobicContact CG2-CD2 3.88Å; V289-L301 HydrophobicContact CG2-CG 3.74Å; V289-L301 WeakPolarHBondContact CG2-O 3.41Å; V289-L301 PolarHBondContact N-O 3.37Å; G290-L301 PolarHBondContact N-O 2.81Å; G290-L301 PolarHBondContact O-N 3.08Å; Y299-L301 HydrophobicContact CD2-CB 4.44Å; Y299-L301 HydrophobicContact CE2-CB 4.09Å; L301-Y315 HydrophobicContact CD1-CD1 4.35Å; L301-Y315 HydrophobicContact CG-CD1 4.49Å; L301-R317 HydrophobicContact CD1-CG 4.36Å
302	V	98.9	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.8	-169.8	177.4	0	0	0	0	110.2	V286 L287 W300 Y315 I316 M318 I328	V286-V302 HydrophobicContact CB-CG1 3.49Å; V286-V302 VanDerWaalsContact CB-CG1 3.49Å; V286-V302 HydrophobicContact CG1-CG1 4.18Å; V286-V302 HydrophobicContact CG2-CG1 3.32Å; L287-V302 CarbonylContact O-C 3.6Å; L287-V302 WeakPolarHBondContact O-CA 3.34Å; W300-V302 HydrophobicContact CB-CG2 3.98Å; V302-Y315 CarbonylContact O-C 3.53Å; V302-Y315 VanDerWaalsContact O-CA 3.24Å; V302-Y315 WeakPolarHBondContact O-CA 3.21Å; V302-Y315 WeakPolarHBondContact O-CB 3.2Å; V302-I316 HydrophobicContact CB-CG2 3.85Å; V302-I316 WeakPolarHBondContact CB-O 3.45Å; V302-I316 HydrophobicContact CG1-CG2 4.05Å; V302-I316 PolarHBondContact N-O 2.8Å; V302-I316 PolarHBondContact O-N 2.96Å; V302-M318 HydrophobicContact CG2-CG 4.24Å; V302-M318 HydrophobicContact CG2-SD 4.16Å; V302-I328 HydrophobicContact CG2-CD1 3.82Å
303	K	98.9	Very high	98	Very high	17 Å²	17	40.1 Å²	40.1	7%	0.074	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.3	171.6	-172.6	-175.3	178.9	179.3	0	109.4	V134 T135 R136 V137 L287 V289 Y315	V134-K303 HydrophobicContact CG1-CD 3.78Å; T135-K303 WeakPolarHBondContact O-CE 3.46Å; T135-K303 PolarHBondContact O-NZ 2.78Å; T135-K303 PolarHBondContact OG1-NZ 2.76Å; R136-K303 VanDerWaalsContact O-CE 3.3Å; R136-K303 WeakPolarHBondContact O-CE 3.27Å; R136-K303 PolarHBondContact O-NZ 2.98Å; V137-K303 HydrophobicContact CG2-CG 4.15Å; L287-K303 HydrophobicContact CB-CB 4.23Å; L287-K303 HydrophobicContact CD2-CD 4.27Å; L287-K303 PolarHBondContact N-O 3.05Å; L287-K303 PolarHBondContact O-N 2.72Å; V289-K303 HydrophobicContact CG1-CB 4.07Å; K303-Y315 HydrophobicContact CB-CD1 3.88Å; K303-Y315 HydrophobicContact CB-CE1 3.5Å; K303-Y315 HydrophobicContact CD-CE1 4.35Å; K303-Y315 HydrophobicContact CG-CD1 4.32Å; K303-Y315 HydrophobicContact CG-CE1 3.68Å
304	N	98.7	Very high	98	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.027	22%	0.218	C	C	.	.			trans	-96.3	170.9	174.4	-156.4	-6.7	0	0	0	111.2	H284 W306 F310 G314	H284-N304 PolarHBondContact NE2-OD1 3.22Å; N304-W306 VanDerWaalsContact ND2-CD2 3.3Å; N304-W306 VanDerWaalsContact ND2-CE3 3.26Å; N304-F310 HydrophobicContact CB-CD1 3.81Å; N304-F310 HydrophobicContact CB-CE1 3.77Å; N304-F310 WeakPolarHBondContact ND2-CD1 3.35Å; N304-F310 WeakPolarHBondContact ND2-CE1 3.49Å; N304-F310 VanDerWaalsContact ND2-CZ 3.3Å; N304-F310 WeakPolarHBondContact ND2-CZ 3.46Å; N304-G314 WeakPolarHBondContact CB-O 3.34Å; N304-G314 PolarHBondContact N-O 3.12Å
305	S	98.3	Very high	98	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.035	21%	0.209	C	C	.	.	S	Bend	trans	-114.1	24.3	179.3	47.8	0	0	0	0	112.9	K138 M139 Q140	K138-S305 CarbonylContact O-C 3.46Å; M139-S305 CarbonylContact C-O 3.56Å; M139-S305 WeakPolarHBondContact CA-O 3.44Å; Q140-S305 PolarHBondContact N-O 3.24Å; Q140-S305 PolarHBondContact OE1-OG 3.25Å
306	W	97.9	Very high	98.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-107.2	27	-176.1	-60.2	-8.1	0	0	0	112.7	F85 M86 Y98 T99 M139 F265 H284 N304 F310	F85-W306 HydrophobicContact CE1-CB 4.43Å; F85-W306 WeakPolarHBondContact CE1-O 3.49Å; F85-W306 HydrophobicContact CZ-CB 4.14Å; F85-W306 WeakPolarHBondContact CZ-O 3.43Å; M86-W306 HydrophobicContact CE-CB 4.04Å; M86-W306 HydrophobicContact CE-CD2 3.43Å; M86-W306 VanDerWaalsContact CE-CD2 3.43Å; M86-W306 HydrophobicContact CE-CE3 3.38Å; M86-W306 HydrophobicContact CE-CG 3.73Å; M86-W306 HydrophobicContact CE-CZ3 4.01Å; M86-W306 HydrophobicContact SD-CE3 4.05Å; M86-W306 HydrophobicContact SD-CZ3 4.21Å; Y98-W306 AromaticContact CD1-CD1 3.69Å; Y98-W306 HydrophobicContact CD1-CD2 4.44Å; Y98-W306 HydrophobicContact CD1-CG 4.16Å; Y98-W306 AromaticContact CD1-NE1 3.74Å; Y98-W306 PolarHBondContact O-NE1 3.09Å; T99-W306 HydrophobicContact CG2-CH2 4.12Å; T99-W306 HydrophobicContact CG2-CZ2 3.69Å; M139-W306 VanDerWaalsContact CE-O 3.22Å; M139-W306 WeakPolarHBondContact CE-O 3.42Å; M139-W306 VanDerWaalsContact SD-C 3.52Å; F265-W306 AromaticContact CD1-CH2 3.64Å; F265-W306 HydrophobicContact CD1-CH2 3.64Å; F265-W306 AromaticContact CD1-CZ3 3.67Å; F265-W306 HydrophobicContact CD1-CZ3 3.67Å; F265-W306 HydrophobicContact CE1-CE3 4.46Å; F265-W306 AromaticContact CE1-CH2 3.51Å; F265-W306 HydrophobicContact CE1-CH2 3.51Å; F265-W306 HydrophobicContact CE1-CZ2 4.35Å; F265-W306 AromaticContact CE1-CZ3 3.56Å; F265-W306 HydrophobicContact CE1-CZ3 3.56Å; H284-W306 AromaticContact CD2-CZ2 3.83Å; H284-W306 AromaticContact CE1-CE2 3.81Å; H284-W306 AromaticContact CE1-CZ2 3.87Å; H284-W306 AromaticContact CE1-NE1 3.42Å; H284-W306 PolarHBondContact CE1-NE1 2.87Å; H284-W306 AromaticContact NE2-CE2 3.56Å; H284-W306 AromaticContact NE2-CZ2 3.54Å; H284-W306 AromaticContact NE2-NE1 3.56Å; N304-W306 VanDerWaalsContact ND2-CD2 3.3Å; N304-W306 VanDerWaalsContact ND2-CE3 3.26Å; W306-F310 HydrophobicContact CB-CB 3.97Å; W306-F310 HydrophobicContact CB-CG 4.18Å; W306-F310 AromaticContact CE3-CD2 3.52Å; W306-F310 HydrophobicContact CE3-CD2 3.52Å; W306-F310 AromaticContact CE3-CE2 3.54Å; W306-F310 HydrophobicContact CE3-CE2 3.54Å; W306-F310 HydrophobicContact CE3-CG 4.11Å; W306-F310 HydrophobicContact CE3-CZ 4.18Å; W306-F310 HydrophobicContact CZ3-CD2 4.12Å; W306-F310 AromaticContact CZ3-CE2 3.7Å; W306-F310 HydrophobicContact CZ3-CE2 3.7Å; W306-F310 HydrophobicContact CZ3-CZ 4.29Å
307	G	97.9	Very high	98.3	Very high	7 Å²	7	26.9 Å²	26.9	7%	0.072	14%	0.144	C	C	.	.			trans	72.1	172.5	-178	0	0	0	0	0	114.2	K138 S309 F310 G314	K138-G307 WeakPolarHBondContact O-CA 3.44Å; K138-G307 PolarHBondContact O-N 2.99Å; G307-S309 VanDerWaalsContact C-N 3.27Å; G307-S309 PolarHBondContact O-N 2.99Å; G307-F310 PolarHBondContact O-N 3.27Å; G307-G314 WeakPolarHBondContact O-CA 3.37Å
308	T	97.6	Very high	98.3	Very high	81 Å²	81	25 Å²	25	50%	0.497	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.5	-176.5	52.3	0	0	0	0	113.7	V137 F310 Q313 G314	V137-T308 HydrophobicContact CB-CG2 4.04Å; V137-T308 HydrophobicContact CG1-CG2 4.49Å; T308-F310 PolarHBondContact O-N 2.86Å; T308-Q313 CarbonylContact O-C 3.58Å; T308-Q313 WeakPolarHBondContact O-CA 3.47Å; T308-G314 PolarHBondContact O-N 2.88Å
309	S	94.9	Very high	98.3	Very high	61 Å²	61	22.9 Å²	22.9	43%	0.427	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.1	175.3	53.5	0	0	0	0	113.8	F85 G307	F85-S309 WeakPolarHBondContact CD1-OG 3.44Å; G307-S309 VanDerWaalsContact C-N 3.27Å; G307-S309 PolarHBondContact O-N 2.99Å
310	F	97.9	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-87.5	137.6	172.2	169.2	-93.6	0	0	0	110.2	F265 Y268 N304 W306 G307 T308 G314 I316	F265-F310 HydrophobicContact CD1-CZ 4.48Å; F265-F310 HydrophobicContact CE1-CE2 4.47Å; F265-F310 HydrophobicContact CE1-CZ 4.03Å; F265-F310 HydrophobicContact CZ-CZ 4.35Å; F265-F310 VanDerWaalsContact O-CE2 3.28Å; F265-F310 WeakPolarHBondContact O-CE2 3.48Å; Y268-F310 HydrophobicContact CD1-CZ 4.41Å; N304-F310 HydrophobicContact CB-CD1 3.81Å; N304-F310 HydrophobicContact CB-CE1 3.77Å; N304-F310 WeakPolarHBondContact ND2-CD1 3.35Å; N304-F310 WeakPolarHBondContact ND2-CE1 3.49Å; N304-F310 VanDerWaalsContact ND2-CZ 3.3Å; N304-F310 WeakPolarHBondContact ND2-CZ 3.46Å; W306-F310 HydrophobicContact CB-CB 3.97Å; W306-F310 HydrophobicContact CB-CG 4.18Å; W306-F310 AromaticContact CE3-CD2 3.52Å; W306-F310 HydrophobicContact CE3-CD2 3.52Å; W306-F310 AromaticContact CE3-CE2 3.54Å; W306-F310 HydrophobicContact CE3-CE2 3.54Å; W306-F310 HydrophobicContact CE3-CG 4.11Å; W306-F310 HydrophobicContact CE3-CZ 4.18Å; W306-F310 HydrophobicContact CZ3-CD2 4.12Å; W306-F310 AromaticContact CZ3-CE2 3.7Å; W306-F310 HydrophobicContact CZ3-CE2 3.7Å; W306-F310 HydrophobicContact CZ3-CZ 4.29Å; G307-F310 PolarHBondContact O-N 3.27Å; T308-F310 PolarHBondContact O-N 2.86Å; F310-G314 WeakPolarHBondContact O-CA 3.44Å; F310-G314 PolarHBondContact O-N 2.98Å; F310-I316 HydrophobicContact CE1-CB 4.27Å; F310-I316 HydrophobicContact CE1-CG2 4.43Å
311	G	98.3	Very high	98.3	Very high	15 Å²	15	25.9 Å²	25.9	16%	0.155	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-147.5	170.7	0	0	0	0	0	114.7	Y268 R269 Q313	Y268-G311 WeakPolarHBondContact O-CA 3.41Å; Y268-G311 PolarHBondContact O-N 2.67Å; R269-G311 CarbonylContact O-C 3.45Å; R269-G311 WeakPolarHBondContact O-CA 3.49Å; G311-Q313 PolarHBondContact O-N 2.69Å
312	D	98.1	Very high	98.2	Very high	52 Å²	52	30.5 Å²	30.5	28%	0.278	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-87.1	84	178.9	-171.4	4.5	0	0	0	108.3	R269 G314 Y315 R317	R269-D312 PolarHBondContact O-N 2.65Å; R269-D312 VanDerWaalsContact O-N 3.07Å; D312-G314 VanDerWaalsContact C-N 3.28Å; D312-G314 PolarHBondContact O-N 3.32Å; D312-Y315 PolarHBondContact N-O 3.15Å; D312-Y315 WeakPolarHBondContact O-CB 3.48Å; D312-Y315 PolarHBondContact O-N 3.14Å; D312-Y315 VanDerWaalsContact O-N 3.09Å; D312-R317 IonicContact OD2-CZ 3.05Å; D312-R317 IonicContact OD2-NH1 3.09Å; D312-R317 IonicContact OD2-NH2 2.76Å; D312-R317 PolarHBondContact OD2-NH2 2.89Å
313	Q	98	Very high	98	Very high	132 Å²	132	37.4 Å²	37.4	62%	0.617	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	37.4	-177.6	-58.5	-63.6	-39.9	0	0	113.7	T308 G311 Y315	T308-Q313 CarbonylContact O-C 3.58Å; T308-Q313 WeakPolarHBondContact O-CA 3.47Å; G311-Q313 PolarHBondContact O-N 2.69Å; Q313-Y315 WeakPolarHBondContact O-CD2 3.46Å
314	G	98.6	Very high	98	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	3.4	-178.6	0	0	0	0	0	115	N304 G307 T308 F310 D312	N304-G314 WeakPolarHBondContact CB-O 3.34Å; N304-G314 PolarHBondContact N-O 3.12Å; G307-G314 WeakPolarHBondContact O-CA 3.37Å; T308-G314 PolarHBondContact O-N 2.88Å; F310-G314 WeakPolarHBondContact O-CA 3.44Å; F310-G314 PolarHBondContact O-N 2.98Å; D312-G314 VanDerWaalsContact C-N 3.28Å; D312-G314 PolarHBondContact O-N 3.32Å
315	Y	98.9	Very high	98	Very high	20 Å²	20	37.8 Å²	37.8	8%	0.078	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	160	177.7	-63.4	-97.6	0	0	0	111.5	R129 V134 V137 Y268 V289 L301 V302 K303 D312 Q313	R129-Y315 HydrophobicContact CG-CE1 4.3Å; V134-Y315 WeakPolarHBondContact CG1-OH 3.49Å; V137-Y315 HydrophobicContact CG2-CD2 4.08Å; V137-Y315 HydrophobicContact CG2-CE2 3.45Å; V137-Y315 VanDerWaalsContact CG2-CE2 3.45Å; Y268-Y315 WeakPolarHBondContact CE1-O 3.48Å; V289-Y315 HydrophobicContact CG2-CD1 4.26Å; V289-Y315 HydrophobicContact CG2-CE1 3.97Å; L301-Y315 HydrophobicContact CD1-CD1 4.35Å; L301-Y315 HydrophobicContact CG-CD1 4.49Å; V302-Y315 CarbonylContact O-C 3.53Å; V302-Y315 VanDerWaalsContact O-CA 3.24Å; V302-Y315 WeakPolarHBondContact O-CA 3.21Å; V302-Y315 WeakPolarHBondContact O-CB 3.2Å; K303-Y315 HydrophobicContact CB-CD1 3.88Å; K303-Y315 HydrophobicContact CB-CE1 3.5Å; K303-Y315 HydrophobicContact CD-CE1 4.35Å; K303-Y315 HydrophobicContact CG-CD1 4.32Å; K303-Y315 HydrophobicContact CG-CE1 3.68Å; D312-Y315 PolarHBondContact N-O 3.15Å; D312-Y315 WeakPolarHBondContact O-CB 3.48Å; D312-Y315 PolarHBondContact O-N 3.14Å; D312-Y315 VanDerWaalsContact O-N 3.09Å; Q313-Y315 WeakPolarHBondContact O-CD2 3.46Å
316	I	98.9	Very high	98	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.7	170.8	179.6	167.5	0	0	0	109.4	F265 Y268 Y273 V302 F310 M318	F265-I316 HydrophobicContact CD2-CD1 3.9Å; F265-I316 HydrophobicContact CE2-CD1 3.58Å; F265-I316 HydrophobicContact CZ-CD1 4.22Å; F265-I316 HydrophobicContact CZ-CG2 4.46Å; Y268-I316 HydrophobicContact CD1-CB 3.82Å; Y268-I316 HydrophobicContact CD1-CD1 3.83Å; Y268-I316 HydrophobicContact CD1-CG1 3.65Å; Y268-I316 HydrophobicContact CD2-CD1 3.92Å; Y268-I316 HydrophobicContact CD2-CG1 4Å; Y268-I316 HydrophobicContact CE1-CB 3.7Å; Y268-I316 HydrophobicContact CE1-CD1 4.31Å; Y268-I316 HydrophobicContact CE1-CG1 3.61Å; Y268-I316 HydrophobicContact CE2-CD1 4.34Å; Y268-I316 HydrophobicContact CE2-CG1 3.92Å; Y268-I316 HydrophobicContact CG-CB 4.48Å; Y268-I316 HydrophobicContact CG-CD1 3.63Å; Y268-I316 HydrophobicContact CG-CG1 3.86Å; Y273-I316 HydrophobicContact CD1-CD1 4.49Å; Y273-I316 HydrophobicContact CD2-CD1 4.21Å; Y273-I316 HydrophobicContact CG-CD1 3.93Å; V302-I316 HydrophobicContact CB-CG2 3.85Å; V302-I316 WeakPolarHBondContact CB-O 3.45Å; V302-I316 HydrophobicContact CG1-CG2 4.05Å; V302-I316 PolarHBondContact N-O 2.8Å; V302-I316 PolarHBondContact O-N 2.96Å; F310-I316 HydrophobicContact CE1-CB 4.27Å; F310-I316 HydrophobicContact CE1-CG2 4.43Å; I316-M318 HydrophobicContact CD1-CG 4.15Å; I316-M318 HydrophobicContact CG1-CG 3.96Å; I316-M318 HydrophobicContact CG2-CG 4.12Å; I316-M318 HydrophobicContact CG2-SD 4.46Å
317	R	98.9	Very high	98	Very high	44 Å²	44	37.7 Å²	37.7	17%	0.166	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	110	167	-62.3	-179.1	-168.5	101.9	18.3	107.4	Y268 G271 Y273 Y299 W300 L301 D312	Y268-R317 PolarHBondContact OH-N 2.98Å; G271-R317 WeakPolarHBondContact O-CB 3.26Å; Y273-R317 WeakPolarHBondContact CB-O 3.29Å; Y273-R317 PolarHBondContact N-O 3.08Å; Y299-R317 HydrophobicContact CD2-CB 3.86Å; Y299-R317 HydrophobicContact CD2-CG 3.73Å; Y299-R317 HydrophobicContact CE2-CG 3.97Å; Y299-R317 HydrophobicContact CG-CB 3.86Å; Y299-R317 HydrophobicContact CG-CG 4.07Å; W300-R317 CarbonylContact O-C 3.31Å; W300-R317 VanDerWaalsContact O-CA 3.28Å; W300-R317 WeakPolarHBondContact O-CA 3.23Å; L301-R317 HydrophobicContact CD1-CG 4.36Å; D312-R317 IonicContact OD2-CZ 3.05Å; D312-R317 IonicContact OD2-NH1 3.09Å; D312-R317 IonicContact OD2-NH2 2.76Å; D312-R317 PolarHBondContact OD2-NH2 2.89Å
318	M	98.9	Very high	98	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.02	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143.2	178.5	-63.1	-174.1	69.1	0	0	110	I258 F265 Y299 W300 V302 I316 R320 C326 I328	I258-M318 HydrophobicContact CB-CE 4.14Å; I258-M318 HydrophobicContact CD1-CE 3.94Å; I258-M318 HydrophobicContact CD1-SD 3.65Å; I258-M318 HydrophobicContact CG2-CE 3.94Å; I258-M318 HydrophobicContact CG2-SD 3.95Å; F265-M318 HydrophobicContact CE2-CE 4.3Å; F265-M318 HydrophobicContact CE2-SD 4.25Å; Y299-M318 CarbonylContact C-O 3.53Å; Y299-M318 WeakPolarHBondContact CA-O 3.27Å; Y299-M318 WeakPolarHBondContact CB-O 3.48Å; W300-M318 PolarHBondContact N-O 2.87Å; W300-M318 PolarHBondContact O-N 3.47Å; V302-M318 HydrophobicContact CG2-CG 4.24Å; V302-M318 HydrophobicContact CG2-SD 4.16Å; I316-M318 HydrophobicContact CD1-CG 4.15Å; I316-M318 HydrophobicContact CG1-CG 3.96Å; I316-M318 HydrophobicContact CG2-CG 4.12Å; I316-M318 HydrophobicContact CG2-SD 4.46Å; M318-R320 PolarHBondContact O-N 3.44Å; M318-C326 HydrophobicContact CE-CB 3.73Å; M318-I328 HydrophobicContact CB-CD1 4.35Å; M318-I328 HydrophobicContact SD-CD1 4.06Å
319	A	98.8	Very high	98	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	133.3	-179.4	0	0	0	0	0	112	V272 Y273 D274 K322	V272-A319 HydrophobicContact CG1-CB 4.22Å; Y273-A319 WeakPolarHBondContact O-CB 3.3Å; Y273-A319 PolarHBondContact O-N 3.46Å; D274-A319 HydrophobicContact CB-CB 4.1Å; A319-K322 HydrophobicContact CB-CB 4.3Å; A319-K322 HydrophobicContact CB-CG 4.05Å
320	R	98.6	Very high	98.1	Very high	10 Å²	10	31.3 Å²	31.3	4%	0.038	16%	0.156	C	C	.	.			trans	-114.9	152.5	177.6	173.5	172.8	65.3	72.9	1.1	109.9	G292 D298 Y299 W300 M318 K322	G292-R320 PolarHBondContact O-NH2 3.1Å; D298-R320 HydrophobicContact CB-CB 4.09Å; D298-R320 HydrophobicContact CB-CG 4.45Å; D298-R320 PolarHBondContact O-N 2.92Å; D298-R320 IonicContact OD1-NH2 2.88Å; D298-R320 PolarHBondContact OD1-NH2 3.14Å; D298-R320 IonicContact OD2-CZ 2.67Å; D298-R320 VanDerWaalsContact OD2-CZ 3.32Å; D298-R320 IonicContact OD2-NH1 2.87Å; D298-R320 PolarHBondContact OD2-NH1 2.96Å; D298-R320 IonicContact OD2-NH2 3.17Å; D298-R320 PolarHBondContact OD2-NH2 3.29Å; D298-R320 VanDerWaalsContact OD2-NH2 3.15Å; Y299-R320 PolarHBondContact O-NE 2.86Å; W300-R320 HydrophobicContact CD2-CB 4.11Å; W300-R320 HydrophobicContact CD2-CG 4Å; W300-R320 VanDerWaalsContact CE2-CG 3.43Å; W300-R320 HydrophobicContact CG-CB 4.06Å; W300-R320 HydrophobicContact CG-CG 4.48Å; W300-R320 VanDerWaalsContact CH2-CD 3.46Å; W300-R320 HydrophobicContact CH2-CG 4.09Å; W300-R320 HydrophobicContact CZ2-CB 4.38Å; W300-R320 VanDerWaalsContact CZ2-CD 3.43Å; W300-R320 HydrophobicContact CZ2-CG 3.52Å; M318-R320 PolarHBondContact O-N 3.44Å; R320-K322 VanDerWaalsContact C-N 3.32Å
321	N	97.6	Very high	98	Very high	84 Å²	84	33.2 Å²	33.2	45%	0.449	16%	0.164	S	C	.	.	S	Bend	trans	60.7	41.9	-176.9	-63	-23.9	0	0	0	111.7	E241 D298	E241-N321 PolarHBondContact OE1-N 3.46Å; E241-N321 VanDerWaalsContact OE2-CA 3.3Å; E241-N321 WeakPolarHBondContact OE2-CA 3.45Å; E241-N321 PolarHBondContact OE2-N 2.89Å; D298-N321 PolarHBondContact OD2-ND2 2.83Å
322	K	97.1	Very high	98	Very high	101 Å²	101	32.5 Å²	32.5	44%	0.439	16%	0.157	S	C	.	.	S	Bend	trans	-130.7	43.4	-171.9	-75.3	-78.6	-171.4	136	0	111.3	E241 D274 A319 R320 D324 Q325	E241-K322 PolarHBondContact OE2-N 3.44Å; D274-K322 IonicContact OD2-NZ 2.84Å; D274-K322 PolarHBondContact OD2-NZ 3.48Å; A319-K322 HydrophobicContact CB-CB 4.3Å; A319-K322 HydrophobicContact CB-CG 4.05Å; R320-K322 VanDerWaalsContact C-N 3.32Å; K322-D324 VanDerWaalsContact C-N 3.35Å; K322-Q325 HydrophobicContact CB-CB 4.21Å; K322-Q325 PolarHBondContact O-N 3.35Å
323	N	96.4	Very high	97.9	Very high	144 Å²	144	30 Å²	30	77%	0.77	14%	0.144	S	C	*	.	S	Bend	trans	58.1	47.4	-179.6	-172.8	60.2	0	0	0	111.6	E241 Q325	E241-N323 PolarHBondContact OE2-N 3.23Å; N323-Q325 VanDerWaalsContact C-N 3.33Å; N323-Q325 PolarHBondContact O-N 3.28Å
324	D	97.5	Very high	97.9	Very high	7 Å²	7	24.4 Å²	24.4	4%	0.037	12%	0.117	C	C	.	.	S	Bend	trans	50.8	51.6	-179.9	-170.4	24.7	0	0	0	112.4	G239 E241 K322 C326 G327 I328 A329 L330	G239-D324 WeakPolarHBondContact CA-OD2 3.29Å; E241-D324 HydrophobicContact CG-CB 4.46Å; E241-D324 PolarHBondContact OE2-N 3.02Å; E241-D324 VanDerWaalsContact OE2-N 3.07Å; K322-D324 VanDerWaalsContact C-N 3.35Å; D324-C326 PolarHBondContact O-N 2.99Å; D324-G327 WeakPolarHBondContact O-CA 3.33Å; D324-G327 PolarHBondContact O-N 3.2Å; D324-G327 VanDerWaalsContact OD1-C 3.25Å; D324-I328 PolarHBondContact OD1-N 3.44Å; D324-A329 WeakPolarHBondContact OD1-CB 3.11Å; D324-A329 PolarHBondContact OD1-N 2.86Å; D324-L330 VanDerWaalsContact OD2-CD2 3.26Å; D324-L330 WeakPolarHBondContact OD2-CD2 3.5Å; D324-L330 VanDerWaalsContact OD2-CG 3.23Å; D324-L330 WeakPolarHBondContact OD2-CG 3.45Å
325	Q	98.2	Very high	97.8	Very high	24 Å²	24	24.4 Å²	24.4	11%	0.112	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-58.6	135.1	-176.9	-166.7	179.8	108.2	0	0	110.5	D274 D275 C278 K322 N323 G327	D274-Q325 PolarHBondContact OD1-NE2 3.45Å; D275-Q325 PolarHBondContact O-OE1 3.39Å; C278-Q325 HydrophobicContact CB-CG 3.99Å; K322-Q325 HydrophobicContact CB-CB 4.21Å; K322-Q325 PolarHBondContact O-N 3.35Å; N323-Q325 VanDerWaalsContact C-N 3.33Å; N323-Q325 PolarHBondContact O-N 3.28Å; Q325-G327 PolarHBondContact O-N 2.85Å; Q325-G327 VanDerWaalsContact O-N 3.13Å
326	C	98.3	Very high	97.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	61.3	10.4	-173.1	-41.4	0	0	0	0	114.4	I258 D259 C278 T279 M318 D324 I328	I258-C326 CarbonylContact C-O 3.02Å; I258-C326 VanDerWaalsContact CA-O 3.29Å; I258-C326 WeakPolarHBondContact CA-O 3.5Å; D259-C326 HydrophobicContact CB-CB 4.31Å; D259-C326 PolarHBondContact N-O 3.23Å; C278-C326 HydrophobicContact CB-CB 3.77Å; C278-C326 WeakPolarHBondContact CB-SG 3.48Å; C278-C326 WeakPolarHBondContact SG-CB 3.44Å; C278-C326 CovalentContact SG-SG 2.04Å; C278-C326 PolarHBondContact SG-SG 2.83Å; T279-C326 CarbonylContact O-C 3.48Å; T279-C326 VanDerWaalsContact O-C 3.31Å; T279-C326 VanDerWaalsContact O-CA 3.25Å; T279-C326 WeakPolarHBondContact O-CA 3.28Å; M318-C326 HydrophobicContact CE-CB 3.73Å; D324-C326 PolarHBondContact O-N 2.99Å; C326-I328 PolarHBondContact O-N 3.41Å
327	G	98.2	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	71.3	22.7	176.8	0	0	0	0	0	115.5	A257 D324 Q325 A329 L330	A257-G327 VanDerWaalsContact O-O 3.14Å; D324-G327 WeakPolarHBondContact O-CA 3.33Å; D324-G327 PolarHBondContact O-N 3.2Å; D324-G327 VanDerWaalsContact OD1-C 3.25Å; Q325-G327 PolarHBondContact O-N 2.85Å; Q325-G327 VanDerWaalsContact O-N 3.13Å; G327-A329 VanDerWaalsContact C-N 3.25Å; G327-A329 PolarHBondContact O-N 2.99Å; G327-L330 VanDerWaalsContact O-CB 3.31Å; G327-L330 WeakPolarHBondContact O-CB 3.24Å; G327-L330 WeakPolarHBondContact O-CG 3.5Å; G327-L330 PolarHBondContact O-N 2.91Å
328	I	98.7	Very high	97	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.7	-172.2	-167.3	164.9	0	0	0	114.1	L244 V256 A257 I258 W300 V302 M318 D324 C326	L244-I328 HydrophobicContact CD2-CG1 4.41Å; V256-I328 HydrophobicContact CB-CG1 4.24Å; V256-I328 WeakPolarHBondContact CB-O 3.26Å; V256-I328 HydrophobicContact CG2-CD1 4.43Å; V256-I328 HydrophobicContact CG2-CG1 3.91Å; A257-I328 WeakPolarHBondContact O-CA 3.28Å; I258-I328 HydrophobicContact CG2-CB 3.87Å; I258-I328 HydrophobicContact CG2-CD1 4.14Å; I258-I328 HydrophobicContact CG2-CG1 3.77Å; W300-I328 HydrophobicContact CB-CD1 3.82Å; W300-I328 HydrophobicContact CG-CD1 3.78Å; V302-I328 HydrophobicContact CG2-CD1 3.82Å; M318-I328 HydrophobicContact CB-CD1 4.35Å; M318-I328 HydrophobicContact SD-CD1 4.06Å; D324-I328 PolarHBondContact OD1-N 3.44Å; C326-I328 PolarHBondContact O-N 3.41Å
329	A	98	Very high	96.9	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.3	178	0	0	0	0	0	113.5	G239 E241 L244 D324 G327 Y331	G239-A329 PolarHBondContact N-O 3.08Å; E241-A329 HydrophobicContact CG-CB 4.19Å; L244-A329 HydrophobicContact CB-CB 4.43Å; L244-A329 HydrophobicContact CD2-CB 4.14Å; D324-A329 WeakPolarHBondContact OD1-CB 3.11Å; D324-A329 PolarHBondContact OD1-N 2.86Å; G327-A329 VanDerWaalsContact C-N 3.25Å; G327-A329 PolarHBondContact O-N 2.99Å; A329-Y331 PolarHBondContact O-N 2.93Å
330	L	96.3	Very high	96.7	Very high	13 Å²	13	28.4 Å²	28.4	7%	0.068	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-37.6	-178.6	-66.1	176.8	0	0	0	113	R109 Q238 Q280 V282 D324 G327	R109-L330 VanDerWaalsContact CZ-O 3.23Å; R109-L330 PolarHBondContact NH1-O 3.29Å; R109-L330 PolarHBondContact NH2-O 2.97Å; Q238-L330 HydrophobicContact CG-CD2 3.97Å; Q280-L330 HydrophobicContact CB-CD1 3.72Å; Q280-L330 HydrophobicContact CG-CD1 4.02Å; Q280-L330 WeakPolarHBondContact O-CD1 3.38Å; V282-L330 HydrophobicContact CG1-CD1 4.31Å; D324-L330 VanDerWaalsContact OD2-CD2 3.26Å; D324-L330 WeakPolarHBondContact OD2-CD2 3.5Å; D324-L330 VanDerWaalsContact OD2-CG 3.23Å; D324-L330 WeakPolarHBondContact OD2-CG 3.45Å; G327-L330 VanDerWaalsContact O-CB 3.31Å; G327-L330 WeakPolarHBondContact O-CB 3.24Å; G327-L330 WeakPolarHBondContact O-CG 3.5Å; G327-L330 PolarHBondContact O-N 2.91Å
331	Y	96.6	Very high	96.6	Very high	40 Å²	40	29.5 Å²	29.5	16%	0.157	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	33.7	-170.3	-60.3	-80.4	0	0	0	113.1	P103 L107 F190 A257 V282 A329 C333	P103-Y331 HydrophobicContact CB-CE1 4.41Å; P103-Y331 HydrophobicContact CB-CE2 4.43Å; P103-Y331 HydrophobicContact CG-CE2 4.46Å; L107-Y331 HydrophobicContact CD2-CD1 3.91Å; L107-Y331 HydrophobicContact CD2-CE1 3.96Å; F190-Y331 HydrophobicContact CE1-CD1 4.4Å; F190-Y331 HydrophobicContact CE2-CD1 4.46Å; F190-Y331 AromaticContact CZ-CD1 3.6Å; F190-Y331 HydrophobicContact CZ-CD1 3.6Å; F190-Y331 HydrophobicContact CZ-CE1 4.31Å; F190-Y331 AromaticContact CZ-CG 3.75Å; F190-Y331 HydrophobicContact CZ-CG 3.75Å; A257-Y331 HydrophobicContact CB-CD2 4.18Å; A257-Y331 HydrophobicContact CB-CG 4.49Å; V282-Y331 HydrophobicContact CG1-CD2 4.36Å; V282-Y331 HydrophobicContact CG2-CD2 3.59Å; V282-Y331 HydrophobicContact CG2-CE2 3.5Å; V282-Y331 VanDerWaalsContact CG2-CE2 3.5Å; A329-Y331 PolarHBondContact O-N 2.93Å; Y331-C333 PolarHBondContact O-N 3.06Å
332	G	97.1	Very high	96.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	13%	0.129	C	C	.	.			trans	-59.6	118.1	171.9	0	0	0	0	0	111.1	F235 L236 S255	F235-G332 CarbonylContact C-O 3.57Å; F235-G332 WeakPolarHBondContact CA-O 3.48Å; L236-G332 PolarHBondContact N-O 3.01Å; S255-G332 WeakPolarHBondContact O-CA 3.31Å
333	C	96.8	Very high	96.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.8	176.1	59	0	0	0	0	111.6	F195 N234 F235 I254 S255 Y331	F195-C333 HydrophobicContact CE2-CB 4.5Å; N234-C333 CarbonylContact O-C 3.57Å; N234-C333 VanDerWaalsContact O-CA 3.23Å; N234-C333 WeakPolarHBondContact O-CA 3.42Å; N234-C333 WeakPolarHBondContact O-CB 3.28Å; F235-C333 HydrophobicContact CD1-CB 3.63Å; F235-C333 HydrophobicContact CE1-CB 3.66Å; F235-C333 HydrophobicContact CG-CB 4.12Å; F235-C333 HydrophobicContact CZ-CB 4.17Å; I254-C333 WeakPolarHBondContact CG2-O 3.39Å; S255-C333 WeakPolarHBondContact CB-O 3.4Å; S255-C333 PolarHBondContact N-O 3.45Å; S255-C333 PolarHBondContact O-N 2.86Å; Y331-C333 PolarHBondContact O-N 3.06Å
334	Y	97.3	Very high	96.6	Very high	13 Å²	13	12.4 Å²	12.4	5%	0.051	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	142.8	-175.6	59.1	-87	0	0	0	111.4	Y233 N234 L236 I251 I254 T336	Y233-Y334 CarbonylContact C-O 3.58Å; Y233-Y334 VanDerWaalsContact CA-O 3.23Å; Y233-Y334 WeakPolarHBondContact CA-O 3.15Å; Y233-Y334 WeakPolarHBondContact CB-O 3.31Å; N234-Y334 HydrophobicContact CB-CE1 3.89Å; N234-Y334 HydrophobicContact CB-CE2 3.91Å; N234-Y334 PolarHBondContact N-O 3.13Å; N234-Y334 PolarHBondContact O-N 3.18Å; L236-Y334 HydrophobicContact CD2-CD1 4.34Å; L236-Y334 HydrophobicContact CD2-CE1 3.73Å; L236-Y334 HydrophobicContact CG-CD1 4.24Å; L236-Y334 HydrophobicContact CG-CE1 4.03Å; I251-Y334 HydrophobicContact CD1-CD1 3.96Å; I251-Y334 HydrophobicContact CD1-CD2 4.04Å; I251-Y334 HydrophobicContact CD1-CE1 3.49Å; I251-Y334 VanDerWaalsContact CD1-CE1 3.49Å; I251-Y334 HydrophobicContact CD1-CE2 3.56Å; I251-Y334 HydrophobicContact CD1-CG 4.21Å; I251-Y334 HydrophobicContact CG1-CD2 4.48Å; I251-Y334 HydrophobicContact CG1-CE2 4.12Å; I251-Y334 HydrophobicContact CG2-CD2 3.54Å; I251-Y334 HydrophobicContact CG2-CE2 4Å; I251-Y334 HydrophobicContact CG2-CG 3.9Å; I254-Y334 HydrophobicContact CD1-CD1 3.93Å; I254-Y334 HydrophobicContact CD1-CG 3.95Å; Y334-T336 HydrophobicContact CD2-CG2 3.94Å; Y334-T336 HydrophobicContact CE2-CG2 3.85Å
335	P	96.6	Very high	96.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	164.2	168.5	34.1	-31.2	0	0	0	110	A154 L155 Q158 F195 C230 Q232	A154-P335 HydrophobicContact CB-CG 4.09Å; L155-P335 HydrophobicContact CB-CG 4.48Å; L155-P335 HydrophobicContact CD2-CB 3.54Å; L155-P335 HydrophobicContact CD2-CG 3.64Å; L155-P335 HydrophobicContact CG-CB 4.24Å; L155-P335 HydrophobicContact CG-CG 3.88Å; Q158-P335 HydrophobicContact CG-CG 4.06Å; Q158-P335 WeakPolarHBondContact CG-O 3.5Å; F195-P335 HydrophobicContact CD1-CB 3.92Å; F195-P335 HydrophobicContact CD1-CG 4.16Å; F195-P335 HydrophobicContact CE1-CB 4.07Å; F195-P335 HydrophobicContact CE1-CG 3.8Å; F195-P335 HydrophobicContact CG-CB 4.24Å; F195-P335 HydrophobicContact CZ-CG 4.15Å; C230-P335 VanDerWaalsContact SG-CB 3.55Å; Q232-P335 CarbonylContact O-C 3.46Å
336	T	92.6	Very high	96.3	Very high	27 Å²	27	11.8 Å²	11.8	17%	0.166	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	150.4	164.3	64.1	0	0	0	0	109.4	T231 Q232 Y334	T231-T336 PolarHBondContact N-O 3.12Å; T231-T336 PolarHBondContact OG1-O 3.48Å; Q232-T336 WeakPolarHBondContact CG-OG1 3.27Å; Q232-T336 PolarHBondContact NE2-OG1 3.04Å; Q232-T336 PolarHBondContact O-N 3.17Å; Q232-T336 PolarHBondContact O-OG1 3.03Å; Y334-T336 HydrophobicContact CD2-CG2 3.94Å; Y334-T336 HydrophobicContact CE2-CG2 3.85Å
337	M	89.8	Confident	96.2	Very high	44 Å²	44	12.7 Å²	12.7	22%	0.217	6%	0.062	C	C	.	.			trans	-111.8	0	-175.1	-63	-166.8	169.9	0	0	112	L155 Q158 L159 K162 A228 N229 T231	L155-M337 HydrophobicContact CB-CE 4.25Å; L155-M337 HydrophobicContact CD2-CE 4.06Å; L155-M337 WeakPolarHBondContact O-CE 3.47Å; Q158-M337 HydrophobicContact CB-CE 3.99Å; Q158-M337 HydrophobicContact CB-CG 3.82Å; Q158-M337 HydrophobicContact CB-SD 4Å; L159-M337 WeakPolarHBondContact CA-SD 3.32Å; L159-M337 HydrophobicContact CB-CE 3.85Å; L159-M337 HydrophobicContact CB-SD 3.95Å; L159-M337 HydrophobicContact CD1-SD 4.2Å; L159-M337 PolarHBondContact N-SD 3.26Å; L159-M337 VanDerWaalsContact N-SD 3.37Å; K162-M337 HydrophobicContact CD-CB 3.52Å; K162-M337 PolarHBondContact NZ-O 3.19Å; K162-M337 PolarHBondContact NZ-OXT 3.42Å; A228-M337 HydrophobicContact CB-CE 3.87Å; N229-M337 WeakPolarHBondContact O-CE 3.41Å; N229-M337 VanDerWaalsContact O-CG 3.25Å; N229-M337 WeakPolarHBondContact O-CG 3.43Å; T231-M337 WeakPolarHBondContact CG2-OXT 3.41Å

Retrieved 337 of 337 residues in 479.9 ms (Link to these results)

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