A0A3Q0KIF4_SCHMA Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB , UniProt , Accession A0A3Q0KIF4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 231 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	48.7	Very low	41.7	Very low	241 Å²	241	158.5 Å²	158.5	100%	1.187	85%	0.852	S	S	*	*				0	96	0	-71.5	175.4	175.3	0	0	107.2
2	H	38.5	Very low	41.3	Very low	188 Å²	188	154.1 Å²	154.1	87%	0.87	84%	0.838	S	S	*	*			trans	-82.3	123.1	175.1	-87.2	-56.2	0	0	0	108.5
3	L	44.3	Very low	41.4	Very low	173 Å²	173	150.4 Å²	150.4	91%	0.906	82%	0.823	S	S	*	*			trans	-123.6	99.4	166.4	-79.4	164.2	0	0	0	107.6
4	S	40.8	Very low	40.9	Very low	114 Å²	114	151.6 Å²	151.6	80%	0.797	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-76	129.5	169.9	-51	0	0	0	0	108.8
5	C	37.5	Very low	40.6	Very low	123 Å²	123	152.3 Å²	152.3	83%	0.831	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-82.3	136.1	175.6	-156	0	0	0	0	110
6	P	41.5	Very low	40.3	Very low	111 Å²	111	148.4 Å²	148.4	72%	0.721	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-80.7	142.3	-176.6	31	-30.5	0	0	0	112.1	T8	P6-T8 PolarHBondContact O-N 2.62Å
7	M	42	Very low	40	Very low	185 Å²	185	153.2 Å²	153.2	91%	0.911	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-59.9	122	172.1	-70.8	-177.1	-166.8	0	0	111.1	L9	M7-L9 PolarHBondContact O-N 3.35Å
8	T	44.5	Very low	39.9	Very low	135 Å²	135	152.1 Å²	152.1	83%	0.828	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-76.6	116.6	165.4	-34.1	0	0	0	0	108.7	P6 R10	P6-T8 PolarHBondContact O-N 2.62Å; T8-R10 PolarHBondContact O-N 2.91Å
9	L	38.3	Very low	39.7	Very low	163 Å²	163	151.5 Å²	151.5	85%	0.853	81%	0.81	S	S	*	*			trans	-58.5	115.9	168.4	-97.6	86.4	0	0	0	109.4	M7	M7-L9 PolarHBondContact O-N 3.35Å
10	R	41.3	Very low	39.4	Very low	184 Å²	184	153.8 Å²	153.8	69%	0.694	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-78.5	122.4	164.5	-86.3	-176.9	165.6	175.7	-5	109.2	T8 D199	T8-R10 PolarHBondContact O-N 2.91Å; R10-D199 IonicContact NH2-OD2 2.93Å; R10-D199 PolarHBondContact NH2-OD2 3.32Å
11	V	41.4	Very low	39.3	Very low	127 Å²	127	154.9 Å²	154.9	77%	0.77	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-65.2	132.4	168.2	-175	0	0	0	0	107.7	V13	V11-V13 PolarHBondContact O-N 3.2Å
12	P	37.2	Very low	38.7	Very low	105 Å²	105	149.6 Å²	149.6	68%	0.682	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-69.2	121.2	176.9	27.5	-30.4	0	0	0	108.8	L14	P12-L14 PolarHBondContact O-N 3.48Å; P12-L14 VanDerWaalsContact O-N 3.08Å
13	V	42.4	Very low	38.6	Very low	106 Å²	106	143.6 Å²	143.6	64%	0.642	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-53.7	116.5	161.8	177.5	0	0	0	0	106.4	V11 H15	V11-V13 PolarHBondContact O-N 3.2Å; V13-H15 VanDerWaalsContact C-N 3.3Å; V13-H15 PolarHBondContact O-N 3.17Å; V13-H15 PolarHBondContact O-ND1 3.34Å; V13-H15 VanDerWaalsContact O-ND1 3.16Å
14	L	34.4	Very low	38.4	Very low	168 Å²	168	141.9 Å²	141.9	88%	0.88	78%	0.776	S	S	*	*			trans	-56.9	98	174	-97.3	90.9	0	0	0	107.7	P12 A16	P12-L14 PolarHBondContact O-N 3.48Å; P12-L14 VanDerWaalsContact O-N 3.08Å; L14-A16 PolarHBondContact O-N 3.04Å
15	H	35.8	Very low	38.4	Very low	161 Å²	161	142.2 Å²	142.2	75%	0.745	77%	0.769	S	S	*	*			trans	-64	107.9	162.2	-77.6	62.1	0	0	0	105.9	V13 R17	V13-H15 VanDerWaalsContact C-N 3.3Å; V13-H15 PolarHBondContact O-N 3.17Å; V13-H15 PolarHBondContact O-ND1 3.34Å; V13-H15 VanDerWaalsContact O-ND1 3.16Å; H15-R17 PolarHBondContact O-N 3.19Å
16	A	36.5	Very low	38.5	Very low	91 Å²	91	138.9 Å²	138.9	75%	0.752	76%	0.755	S	S	*	*			trans	-56.4	97.6	161.7	0	0	0	0	0	106.6	L14 N18	L14-A16 PolarHBondContact O-N 3.04Å; A16-N18 VanDerWaalsContact C-N 3.32Å; A16-N18 PolarHBondContact O-N 2.91Å
17	R	35.9	Very low	38.7	Very low	230 Å²	230	140.1 Å²	140.1	87%	0.868	76%	0.76	S	S	*	*			trans	-58.9	99.9	170.2	-80.6	178.4	164.1	179.1	-4.6	106.5	H15 L19	H15-R17 PolarHBondContact O-N 3.19Å; R17-L19 VanDerWaalsContact C-N 3.3Å; R17-L19 PolarHBondContact O-N 2.98Å
18	N	37.4	Very low	39	Very low	133 Å²	133	136.8 Å²	136.8	71%	0.711	74%	0.74	S	S	*	*			trans	-58.6	102.6	160.4	-91.4	-24	0	0	0	106.5	A16 R20	A16-N18 VanDerWaalsContact C-N 3.32Å; A16-N18 PolarHBondContact O-N 2.91Å; N18-R20 VanDerWaalsContact C-N 3.35Å; N18-R20 PolarHBondContact O-N 2.65Å
19	L	35.1	Very low	38.9	Very low	141 Å²	141	134.7 Å²	134.7	74%	0.738	74%	0.737	S	S	*	*			trans	-55.6	100.7	168.2	-80.8	147.6	0	0	0	107	R17 F21	R17-L19 VanDerWaalsContact C-N 3.3Å; R17-L19 PolarHBondContact O-N 2.98Å; L19-F21 HydrophobicContact CB-CD2 3.99Å; L19-F21 HydrophobicContact CB-CE2 4.21Å; L19-F21 HydrophobicContact CD1-CE2 4.49Å; L19-F21 HydrophobicContact CD2-CE2 4.43Å; L19-F21 PolarHBondContact O-N 2.92Å
20	R	35.2	Very low	38.9	Very low	197 Å²	197	128.7 Å²	128.7	74%	0.743	72%	0.715	S	S	*	*			trans	-65.5	86.9	160.2	-75	-172.7	-177.2	-148.5	-4.5	106.6	N18 C22 E87	N18-R20 VanDerWaalsContact C-N 3.35Å; N18-R20 PolarHBondContact O-N 2.65Å; R20-C22 PolarHBondContact O-N 2.91Å; R20-C22 VanDerWaalsContact O-N 3.09Å; R20-E87 IonicContact NH2-OE1 2.86Å; R20-E87 PolarHBondContact NH2-OE1 3.34Å; R20-E87 IonicContact NH2-OE2 2.72Å; R20-E87 PolarHBondContact NH2-OE2 2.92Å
21	F	36.7	Very low	39.2	Very low	176 Å²	176	130.2 Å²	130.2	77%	0.772	73%	0.727	S	S	*	*			trans	-66.6	104.5	162.4	-97.3	-88.5	0	0	0	106.9	L19 G23	L19-F21 HydrophobicContact CB-CD2 3.99Å; L19-F21 HydrophobicContact CB-CE2 4.21Å; L19-F21 HydrophobicContact CD1-CE2 4.49Å; L19-F21 HydrophobicContact CD2-CE2 4.43Å; L19-F21 PolarHBondContact O-N 2.92Å; F21-G23 PolarHBondContact O-N 3.4Å
22	C	36	Very low	39.6	Very low	130 Å²	130	126.8 Å²	126.8	88%	0.878	72%	0.717	S	S	*	*			trans	-67.9	80	160.9	-165.6	0	0	0	0	106.8	R20	R20-C22 PolarHBondContact O-N 2.91Å; R20-C22 VanDerWaalsContact O-N 3.09Å
23	G	35.9	Very low	40.5	Very low	62 Å²	62	126.2 Å²	126.2	64%	0.639	71%	0.707	S	S	*	*			trans	-92.4	104.8	-179.8	0	0	0	0	0	109.8	F21 L25	F21-G23 PolarHBondContact O-N 3.4Å; G23-L25 PolarHBondContact O-N 2.82Å
24	T	41.1	Very low	41.7	Very low	138 Å²	138	125.7 Å²	125.7	85%	0.847	71%	0.713	S	S	*	*			trans	-49.9	130.4	167.9	-42.1	0	0	0	0	109.9	G26	T24-G26 PolarHBondContact O-N 3.42Å
25	L	40.3	Very low	44.1	Very low	121 Å²	121	120.2 Å²	120.2	63%	0.634	69%	0.689	S	S	*	*			trans	-53.1	102.6	178.1	-96.2	108.8	0	0	0	111.6	G23 M49	G23-L25 PolarHBondContact O-N 2.82Å; L25-M49 HydrophobicContact CD1-CE 3.51Å; L25-M49 HydrophobicContact CD2-CE 3.52Å; L25-M49 HydrophobicContact CD2-SD 4.15Å; L25-M49 HydrophobicContact CG-CE 4.15Å
26	G	38.8	Very low	46.8	Very low	52 Å²	52	118.3 Å²	118.3	54%	0.536	68%	0.683	S	S	.	*			trans	-70.3	130.3	154.7	0	0	0	0	0	108.6	T24 F28	T24-G26 PolarHBondContact O-N 3.42Å; G26-F28 PolarHBondContact O-N 3.3Å; G26-F28 VanDerWaalsContact O-N 3.11Å
27	V	47.4	Very low	49.4	Very low	137 Å²	137	114 Å²	114	83%	0.83	65%	0.648	S	S	*	*			trans	-52	114.9	171.8	175.9	0	0	0	0	108.7	A29	V27-A29 VanDerWaalsContact C-N 3.28Å; V27-A29 PolarHBondContact O-N 3.02Å
28	F	48.2	Very low	52.1	Low	115 Å²	115	103.3 Å²	103.3	50%	0.504	61%	0.608	S	S	.	*			trans	-66.5	86.7	174.9	-77.7	-82.7	0	0	0	109.7	G26 G30 P63	G26-F28 PolarHBondContact O-N 3.3Å; G26-F28 VanDerWaalsContact O-N 3.11Å; F28-G30 PolarHBondContact O-N 3.2Å; F28-P63 HydrophobicContact CE1-CG 3.98Å; F28-P63 HydrophobicContact CZ-CG 4.05Å
29	A	40.8	Very low	54.7	Low	91 Å²	91	103.2 Å²	103.2	75%	0.752	60%	0.602	S	S	*	*			trans	-89.2	95	175.7	0	0	0	0	0	110.1	V27	V27-A29 VanDerWaalsContact C-N 3.28Å; V27-A29 PolarHBondContact O-N 3.02Å
30	G	40	Very low	57.6	Low	38 Å²	38	99.5 Å²	99.5	39%	0.392	58%	0.578	S	S	.	*			trans	74.6	87.8	135.6	0	0	0	0	0	118.5	F28	F28-G30 PolarHBondContact O-N 3.2Å
31	F	46.1	Very low	60.4	Low	216 Å²	216	90.1 Å²	90.1	95%	0.947	54%	0.543	S	S	*	.	S	Bend	trans	-160.5	113.9	134.1	-102.8	-83.3	0	0	0	106.4
32	G	50.1	Low	63.1	Low	55 Å²	55	84.9 Å²	84.9	57%	0.567	52%	0.521	S	S	*	.	S	Bend	trans	125.5	-6.6	179	0	0	0	0	0	117.8	A34	G32-A34 VanDerWaalsContact C-N 3.3Å; G32-A34 PolarHBondContact O-N 3.35Å; G32-A34 VanDerWaalsContact O-N 3.14Å
33	M	55.5	Low	65.9	Low	93 Å²	93	84.7 Å²	84.7	46%	0.458	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-2.2	-168.3	-56.4	-156.5	-69.1	0	0	117.2	Q42	M33-Q42 VanDerWaalsContact CG-NE2 3.27Å; M33-Q42 PolarHBondContact SD-NE2 2.91Å
34	A	69.4	Low	68.8	Low	94 Å²	94	81.9 Å²	81.9	78%	0.777	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-28	-171.2	0	0	0	0	0	113.8	G32	G32-A34 VanDerWaalsContact C-N 3.3Å; G32-A34 PolarHBondContact O-N 3.35Å; G32-A34 VanDerWaalsContact O-N 3.14Å
35	S	84.9	Confident	71.4	Confident	54 Å²	54	76.4 Å²	76.4	38%	0.378	44%	0.44	S	S	.	.	S	Bend	trans	-78.6	156.1	-174.3	69.5	0	0	0	0	112.4	A37 G38 K39	S35-A37 PolarHBondContact O-N 3.47Å; S35-G38 PolarHBondContact O-N 3.45Å; S35-G38 PolarHBondContact OG-N 3.05Å; S35-K39 PolarHBondContact O-N 3.27Å; S35-K39 VanDerWaalsContact O-N 3.13Å
36	I	90.5	Very high	74	Confident	120 Å²	120	72.6 Å²	72.6	62%	0.615	43%	0.427	S	S	*	.	H	α-helix	trans	-56.1	-42.7	171.6	-65.8	171.9	0	0	0	109.8	R40	I36-R40 WeakPolarHBondContact O-CB 3.4Å; I36-R40 PolarHBondContact O-N 3.22Å
37	A	92.5	Very high	76.7	Confident	2 Å²	2	74.7 Å²	74.7	2%	0.017	42%	0.422	C	S	.	.	H	α-helix	trans	-58.6	-52.5	176.5	0	0	0	0	0	111.9	S35 K39 R40 I41 M69 Y98	S35-A37 PolarHBondContact O-N 3.47Å; A37-K39 PolarHBondContact O-N 3.44Å; A37-R40 WeakPolarHBondContact O-CB 3.45Å; A37-R40 PolarHBondContact O-N 2.89Å; A37-I41 WeakPolarHBondContact O-CG1 3.49Å; A37-I41 PolarHBondContact O-N 2.91Å; A37-M69 HydrophobicContact CB-CE 3.91Å; A37-M69 HydrophobicContact CB-SD 4.4Å; A37-Y98 WeakPolarHBondContact CA-O 3.3Å; A37-Y98 WeakPolarHBondContact CB-O 3.47Å
38	G	91.6	Very high	79	Confident	4 Å²	4	68.4 Å²	68.4	4%	0.041	38%	0.384	C	S	.	.	H	α-helix	trans	-58.9	-44.7	-178.8	0	0	0	0	0	112.7	S35 R40 I41 Q42	S35-G38 PolarHBondContact O-N 3.45Å; S35-G38 PolarHBondContact OG-N 3.05Å; G38-R40 VanDerWaalsContact C-N 3.32Å; G38-R40 PolarHBondContact O-N 3.03Å; G38-I41 PolarHBondContact O-N 3.34Å; G38-Q42 WeakPolarHBondContact O-CG 3.33Å; G38-Q42 PolarHBondContact O-N 3.34Å
39	K	92.3	Very high	81.1	Confident	131 Å²	131	68.3 Å²	68.3	57%	0.57	39%	0.386	S	S	*	.	H	α-helix	trans	-62.1	-40.1	174.9	-69.9	178.9	-178.2	174.9	0	112.2	S35 A37 K43	S35-K39 PolarHBondContact O-N 3.27Å; S35-K39 VanDerWaalsContact O-N 3.13Å; A37-K39 PolarHBondContact O-N 3.44Å; K39-K43 PolarHBondContact O-N 3.26Å; K39-K43 VanDerWaalsContact O-N 3.16Å
40	R	95.7	Very high	83.7	Confident	64 Å²	64	72.4 Å²	72.4	24%	0.242	39%	0.387	C	S	.	.	H	α-helix	trans	-66	-47.2	178.6	-177.3	63.3	-178.2	-114.3	-8.6	111.3	I36 A37 G38 Q42 K43 E44 Y98 P99 A134 M136	I36-R40 WeakPolarHBondContact O-CB 3.4Å; I36-R40 PolarHBondContact O-N 3.22Å; A37-R40 WeakPolarHBondContact O-CB 3.45Å; A37-R40 PolarHBondContact O-N 2.89Å; G38-R40 VanDerWaalsContact C-N 3.32Å; G38-R40 PolarHBondContact O-N 3.03Å; R40-Q42 PolarHBondContact O-N 2.98Å; R40-K43 WeakPolarHBondContact O-CB 3.21Å; R40-K43 PolarHBondContact O-N 3.38Å; R40-E44 WeakPolarHBondContact CD-OE1 3.43Å; R40-E44 WeakPolarHBondContact CG-OE1 3.34Å; R40-E44 IonicContact CZ-OE1 3.76Å; R40-E44 IonicContact NE-OE1 3.07Å; R40-E44 PolarHBondContact NE-OE1 3.35Å; R40-E44 IonicContact NH2-OE1 3.38Å; R40-E44 PolarHBondContact NH2-OE1 3.28Å; R40-E44 WeakPolarHBondContact O-CG 3.47Å; R40-E44 PolarHBondContact O-N 3.39Å; R40-Y98 HydrophobicContact CB-CD1 4.35Å; R40-Y98 HydrophobicContact CB-CE1 4.33Å; R40-Y98 HydrophobicContact CG-CD1 4.05Å; R40-Y98 HydrophobicContact CG-CE1 3.62Å; R40-P99 HydrophobicContact CG-CB 4.28Å; R40-P99 HydrophobicContact CG-CG 4.33Å; R40-A134 PolarHBondContact NH1-O 3.33Å; R40-A134 VanDerWaalsContact NH1-O 3.14Å; R40-A134 PolarHBondContact NH2-O 3.21Å; R40-M136 PolarHBondContact NH2-O 3.2Å
41	I	95.5	Very high	86.3	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-61.1	-44.9	178.1	-63.7	-63.1	0	0	0	111.2	A37 G38 K43 E44 L45 M68 L71 I94 Y98 L138	A37-I41 WeakPolarHBondContact O-CG1 3.49Å; A37-I41 PolarHBondContact O-N 2.91Å; G38-I41 PolarHBondContact O-N 3.34Å; I41-K43 VanDerWaalsContact C-N 3.3Å; I41-K43 PolarHBondContact O-N 2.84Å; I41-E44 PolarHBondContact O-N 3.4Å; I41-E44 VanDerWaalsContact O-N 3.17Å; I41-L45 HydrophobicContact CG2-CD1 3.87Å; I41-L45 HydrophobicContact CG2-CG 4.13Å; I41-L45 WeakPolarHBondContact O-CG 3.38Å; I41-L45 PolarHBondContact O-N 3.42Å; I41-M68 HydrophobicContact CG2-CE 3.9Å; I41-L71 HydrophobicContact CG2-CD1 4.03Å; I41-I94 HydrophobicContact CD1-CB 4.48Å; I41-I94 HydrophobicContact CD1-CD1 3.61Å; I41-I94 HydrophobicContact CD1-CG1 3.77Å; I41-I94 HydrophobicContact CD1-CG2 3.87Å; I41-I94 HydrophobicContact CG1-CG1 4.23Å; I41-I94 HydrophobicContact CG1-CG2 4.02Å; I41-Y98 HydrophobicContact CD1-CD1 3.69Å; I41-Y98 HydrophobicContact CD1-CE1 3.45Å; I41-Y98 VanDerWaalsContact CD1-CE1 3.45Å; I41-Y98 HydrophobicContact CD1-CG 4.49Å; I41-Y98 HydrophobicContact CG1-CD1 4.14Å; I41-Y98 HydrophobicContact CG1-CE1 4.25Å; I41-L138 HydrophobicContact CD1-CD1 3.94Å; I41-L138 HydrophobicContact CD1-CG 4.45Å
42	Q	93	Very high	88.6	Confident	66 Å²	66	66.6 Å²	66.6	31%	0.308	36%	0.358	S	S	.	.	H	α-helix	trans	-57.9	-43.9	176.5	-75.9	-178.6	-20.6	0	0	112.7	M33 G38 R40 A46 M68	M33-Q42 VanDerWaalsContact CG-NE2 3.27Å; M33-Q42 PolarHBondContact SD-NE2 2.91Å; G38-Q42 WeakPolarHBondContact O-CG 3.33Å; G38-Q42 PolarHBondContact O-N 3.34Å; R40-Q42 PolarHBondContact O-N 2.98Å; Q42-A46 WeakPolarHBondContact O-CB 3.28Å; Q42-A46 PolarHBondContact O-N 3.42Å; Q42-M68 HydrophobicContact CG-CE 4Å
43	K	95.3	Very high	90.7	Very high	125 Å²	125	65.7 Å²	65.7	54%	0.543	34%	0.339	S	S	.	.	H	α-helix	trans	-60.8	-48.3	175.6	179.8	-178.9	169	-177	0	111	K39 R40 I41 L45 A46 E47	K39-K43 PolarHBondContact O-N 3.26Å; K39-K43 VanDerWaalsContact O-N 3.16Å; R40-K43 WeakPolarHBondContact O-CB 3.21Å; R40-K43 PolarHBondContact O-N 3.38Å; I41-K43 VanDerWaalsContact C-N 3.3Å; I41-K43 PolarHBondContact O-N 2.84Å; K43-L45 PolarHBondContact O-N 3.09Å; K43-A46 PolarHBondContact O-N 3.08Å; K43-E47 WeakPolarHBondContact CE-OE1 3.32Å; K43-E47 IonicContact NZ-OE1 3.79Å; K43-E47 WeakPolarHBondContact O-CG 3.46Å; K43-E47 PolarHBondContact O-N 2.95Å
44	E	96.8	Very high	92.5	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.019	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-38.9	-178.3	-71.1	-178.6	-155.7	0	0	113.1	R40 I41 E47 L48 Y98 S137 L138	R40-E44 WeakPolarHBondContact CD-OE1 3.43Å; R40-E44 WeakPolarHBondContact CG-OE1 3.34Å; R40-E44 IonicContact CZ-OE1 3.76Å; R40-E44 IonicContact NE-OE1 3.07Å; R40-E44 PolarHBondContact NE-OE1 3.35Å; R40-E44 IonicContact NH2-OE1 3.38Å; R40-E44 PolarHBondContact NH2-OE1 3.28Å; R40-E44 WeakPolarHBondContact O-CG 3.47Å; R40-E44 PolarHBondContact O-N 3.39Å; I41-E44 PolarHBondContact O-N 3.4Å; I41-E44 VanDerWaalsContact O-N 3.17Å; E44-E47 PolarHBondContact O-N 3.49Å; E44-L48 WeakPolarHBondContact O-CB 3.29Å; E44-L48 PolarHBondContact O-N 3.24Å; E44-Y98 VanDerWaalsContact CD-OH 3.25Å; E44-Y98 WeakPolarHBondContact OE1-CE1 3.3Å; E44-Y98 PolarHBondContact OE1-OH 3.18Å; E44-Y98 PolarHBondContact OE2-OH 2.93Å; E44-S137 VanDerWaalsContact OE2-CA 3.26Å; E44-S137 WeakPolarHBondContact OE2-CA 3.37Å; E44-S137 WeakPolarHBondContact OE2-CB 3.47Å; E44-L138 WeakPolarHBondContact OE2-CG 3.38Å; E44-L138 PolarHBondContact OE2-N 2.79Å
45	L	95.3	Very high	93.7	Very high	22 Å²	22	61.6 Å²	61.6	12%	0.115	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-42.5	174.5	-67.7	177.7	0	0	0	111.3	I41 K43 E47 L48 M49 I61 M68 L138	I41-L45 HydrophobicContact CG2-CD1 3.87Å; I41-L45 HydrophobicContact CG2-CG 4.13Å; I41-L45 WeakPolarHBondContact O-CG 3.38Å; I41-L45 PolarHBondContact O-N 3.42Å; K43-L45 PolarHBondContact O-N 3.09Å; L45-E47 VanDerWaalsContact C-N 3.28Å; L45-E47 PolarHBondContact O-N 2.92Å; L45-L48 PolarHBondContact O-N 3.36Å; L45-M49 VanDerWaalsContact O-CG 3.29Å; L45-M49 WeakPolarHBondContact O-CG 3.46Å; L45-M49 PolarHBondContact O-N 3.15Å; L45-I61 HydrophobicContact CD2-CB 3.76Å; L45-I61 HydrophobicContact CD2-CG2 3.5Å; L45-I61 VanDerWaalsContact CD2-CG2 3.5Å; L45-M68 HydrophobicContact CD1-CE 3.67Å; L45-L138 HydrophobicContact CD2-CD1 4.31Å
46	A	94.8	Very high	94.1	Very high	42 Å²	42	64.9 Å²	64.9	35%	0.347	33%	0.33	S	S	.	.	H	α-helix	trans	-65.3	-32	176.3	0	0	0	0	0	112.8	Q42 K43 K50	Q42-A46 WeakPolarHBondContact O-CB 3.28Å; Q42-A46 PolarHBondContact O-N 3.42Å; K43-A46 PolarHBondContact O-N 3.08Å; A46-K50 WeakPolarHBondContact O-CD 3.39Å; A46-K50 WeakPolarHBondContact O-CG 3.38Å
47	E	95.2	Very high	94.3	Very high	95 Å²	95	64.2 Å²	64.2	44%	0.444	33%	0.328	S	S	.	.	H	α-helix	trans	-72.7	-44	173.4	-75.2	173.8	177.2	0	0	111.8	K43 E44 L45 M49 K50 S51	K43-E47 WeakPolarHBondContact CE-OE1 3.32Å; K43-E47 IonicContact NZ-OE1 3.79Å; K43-E47 WeakPolarHBondContact O-CG 3.46Å; K43-E47 PolarHBondContact O-N 2.95Å; E44-E47 PolarHBondContact O-N 3.49Å; L45-E47 VanDerWaalsContact C-N 3.28Å; L45-E47 PolarHBondContact O-N 2.92Å; E47-M49 VanDerWaalsContact C-N 3.34Å; E47-M49 PolarHBondContact O-N 2.96Å; E47-K50 PolarHBondContact O-N 3.49Å; E47-K50 VanDerWaalsContact O-N 3.13Å; E47-S51 PolarHBondContact O-N 3.07Å
48	L	94.9	Very high	94.5	Very high	6 Å²	6	66.6 Å²	66.6	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-58.9	-45	175.6	178.8	68.7	0	0	0	111.3	E44 L45 K50 S51 A54 L59 I61 R139	E44-L48 WeakPolarHBondContact O-CB 3.29Å; E44-L48 PolarHBondContact O-N 3.24Å; L45-L48 PolarHBondContact O-N 3.36Å; L48-K50 PolarHBondContact O-N 3.04Å; L48-S51 WeakPolarHBondContact O-CB 3.3Å; L48-S51 PolarHBondContact O-N 3.14Å; L48-S51 PolarHBondContact O-OG 3.32Å; L48-A54 WeakPolarHBondContact O-CB 3.27Å; L48-L59 HydrophobicContact CD1-CB 4.36Å; L48-L59 HydrophobicContact CD1-CD1 4.49Å; L48-I61 HydrophobicContact CD2-CB 3.73Å; L48-I61 HydrophobicContact CD2-CD1 3.65Å; L48-I61 HydrophobicContact CD2-CG1 3.5Å; L48-I61 VanDerWaalsContact CD2-CG1 3.5Å; L48-R139 HydrophobicContact CD1-CB 3.89Å; L48-R139 HydrophobicContact CD1-CG 3.84Å
49	M	93.2	Very high	94.7	Very high	112 Å²	112	66.6 Å²	66.6	55%	0.552	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.6	178.3	-75.2	178.7	64.1	0	0	114.2	L25 L45 E47	L25-M49 HydrophobicContact CD1-CE 3.51Å; L25-M49 HydrophobicContact CD2-CE 3.52Å; L25-M49 HydrophobicContact CD2-SD 4.15Å; L25-M49 HydrophobicContact CG-CE 4.15Å; L45-M49 VanDerWaalsContact O-CG 3.29Å; L45-M49 WeakPolarHBondContact O-CG 3.46Å; L45-M49 PolarHBondContact O-N 3.15Å; E47-M49 VanDerWaalsContact C-N 3.34Å; E47-M49 PolarHBondContact O-N 2.96Å
50	K	94.6	Very high	94.9	Very high	177 Å²	177	64.5 Å²	64.5	77%	0.77	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-0.9	179.4	-66	173.2	-174.4	175.8	0	112.8	A46 E47 L48	A46-K50 WeakPolarHBondContact O-CD 3.39Å; A46-K50 WeakPolarHBondContact O-CG 3.38Å; E47-K50 PolarHBondContact O-N 3.49Å; E47-K50 VanDerWaalsContact O-N 3.13Å; L48-K50 PolarHBondContact O-N 3.04Å
51	S	94.6	Very high	95	Very high	13 Å²	13	62.4 Å²	62.4	9%	0.091	32%	0.323	C	S	.	.	S	Bend	trans	-83.5	153.8	-175.1	90.9	0	0	0	0	111.8	E47 L48 E53 A54 A55	E47-S51 PolarHBondContact O-N 3.07Å; L48-S51 WeakPolarHBondContact O-CB 3.3Å; L48-S51 PolarHBondContact O-N 3.14Å; L48-S51 PolarHBondContact O-OG 3.32Å; S51-E53 WeakPolarHBondContact CB-OE2 3.33Å; S51-E53 PolarHBondContact O-N 3.35Å; S51-E53 PolarHBondContact OG-OE2 3.43Å; S51-A54 PolarHBondContact O-N 3.33Å; S51-A54 PolarHBondContact OG-N 2.83Å; S51-A55 PolarHBondContact O-N 2.92Å; S51-A55 VanDerWaalsContact O-N 3.11Å
52	D	95.5	Very high	94.9	Very high	120 Å²	120	67.5 Å²	67.5	64%	0.642	35%	0.345	S	S	*	.	H	α-helix	trans	-60.8	-33.3	177.4	-68.6	-27.2	0	0	0	111.5	A54 A55 Q56	D52-A54 PolarHBondContact O-N 3.37Å; D52-A55 PolarHBondContact O-N 3.41Å; D52-Q56 WeakPolarHBondContact O-CB 3.4Å; D52-Q56 VanDerWaalsContact O-CG 3.24Å; D52-Q56 WeakPolarHBondContact O-CG 3.43Å; D52-Q56 PolarHBondContact O-N 3.45Å
53	E	94.9	Very high	95	Very high	35 Å²	35	65.2 Å²	65.2	16%	0.164	34%	0.336	C	S	.	.	H	α-helix	trans	-62.7	-42.2	177	-60.1	85.2	-176.3	0	0	112.2	S51 Q56 N57 Q58 L59 R139 L143	S51-E53 WeakPolarHBondContact CB-OE2 3.33Å; S51-E53 PolarHBondContact O-N 3.35Å; S51-E53 PolarHBondContact OG-OE2 3.43Å; E53-Q56 CarbonylContact O-C 3.48Å; E53-Q56 PolarHBondContact O-N 3Å; E53-N57 PolarHBondContact O-N 3.28Å; E53-N57 VanDerWaalsContact O-N 3.14Å; E53-Q58 HydrophobicContact CB-CB 4.08Å; E53-Q58 WeakPolarHBondContact O-CB 3.24Å; E53-Q58 PolarHBondContact O-N 2.63Å; E53-L59 HydrophobicContact CB-CB 4.44Å; E53-L59 HydrophobicContact CB-CD1 3.79Å; E53-L59 HydrophobicContact CB-CG 3.95Å; E53-L59 HydrophobicContact CG-CD1 4.02Å; E53-R139 IonicContact OE1-CZ 3.65Å; E53-R139 IonicContact OE1-NE 3.63Å; E53-R139 IonicContact OE1-NH2 3.26Å; E53-R139 PolarHBondContact OE1-NH2 2.94Å; E53-R139 IonicContact OE2-CZ 3.54Å; E53-R139 IonicContact OE2-NE 2.69Å; E53-R139 PolarHBondContact OE2-NE 2.93Å; E53-R139 IonicContact OE2-NH2 2.66Å; E53-R139 PolarHBondContact OE2-NH2 2.72Å; E53-L143 HydrophobicContact CG-CD2 4.05Å
54	A	92.4	Very high	94.9	Very high	24 Å²	24	59.7 Å²	59.7	20%	0.198	31%	0.313	C	S	.	.	H	α-helix	trans	-66.8	-42.6	175.4	0	0	0	0	0	110.7	L48 S51 D52 Q56 N57	L48-A54 WeakPolarHBondContact O-CB 3.27Å; S51-A54 PolarHBondContact O-N 3.33Å; S51-A54 PolarHBondContact OG-N 2.83Å; D52-A54 PolarHBondContact O-N 3.37Å; A54-Q56 PolarHBondContact O-N 2.89Å; A54-N57 PolarHBondContact O-N 3.23Å
55	A	94.7	Very high	94.6	Very high	78 Å²	78	67 Å²	67	65%	0.645	35%	0.352	S	S	*	.	H	α-helix	trans	-60.7	-33.9	176	0	0	0	0	0	112.7	S51 D52 N57	S51-A55 PolarHBondContact O-N 2.92Å; S51-A55 VanDerWaalsContact O-N 3.11Å; D52-A55 PolarHBondContact O-N 3.41Å; A55-N57 VanDerWaalsContact C-N 3.3Å
56	Q	94.1	Very high	94.2	Very high	123 Å²	123	72.5 Å²	72.5	58%	0.575	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	4.7	176.1	-66.4	173.5	10.4	0	0	113.4	D52 E53 A54 Q58	D52-Q56 WeakPolarHBondContact O-CB 3.4Å; D52-Q56 VanDerWaalsContact O-CG 3.24Å; D52-Q56 WeakPolarHBondContact O-CG 3.43Å; D52-Q56 PolarHBondContact O-N 3.45Å; E53-Q56 CarbonylContact O-C 3.48Å; E53-Q56 PolarHBondContact O-N 3Å; A54-Q56 PolarHBondContact O-N 2.89Å; Q56-Q58 HydrophobicContact CB-CG 3.96Å; Q56-Q58 PolarHBondContact O-N 2.87Å
57	N	93.8	Very high	94	Very high	106 Å²	106	74.1 Å²	74.1	57%	0.567	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	35.1	-175.2	-55	-73	0	0	0	113.1	E53 A54 A55 K76	E53-N57 PolarHBondContact O-N 3.28Å; E53-N57 VanDerWaalsContact O-N 3.14Å; A54-N57 PolarHBondContact O-N 3.23Å; A55-N57 VanDerWaalsContact C-N 3.3Å; N57-K76 WeakPolarHBondContact O-CD 3.18Å; N57-K76 WeakPolarHBondContact O-CE 3.37Å; N57-K76 WeakPolarHBondContact O-CG 2.97Å; N57-K76 PolarHBondContact O-NZ 3.46Å
58	Q	96.7	Very high	93.8	Very high	52 Å²	52	70.9 Å²	70.9	24%	0.243	37%	0.37	C	S	.	.	S	Bend	trans	-82.3	-35	176.6	-66.5	-61.6	-39.3	0	0	111.7	E53 Q56 K76	E53-Q58 HydrophobicContact CB-CB 4.08Å; E53-Q58 WeakPolarHBondContact O-CB 3.24Å; E53-Q58 PolarHBondContact O-N 2.63Å; Q56-Q58 HydrophobicContact CB-CG 3.96Å; Q56-Q58 PolarHBondContact O-N 2.87Å; Q58-K76 PolarHBondContact O-N 2.96Å
59	L	96.3	Very high	93.8	Very high	4 Å²	4	72.9 Å²	72.9	2%	0.021	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	141.1	-177.6	-48	172.8	0	0	0	109.8	L48 E53 L74 I75 L142 L143	L48-L59 HydrophobicContact CD1-CB 4.36Å; L48-L59 HydrophobicContact CD1-CD1 4.49Å; E53-L59 HydrophobicContact CB-CB 4.44Å; E53-L59 HydrophobicContact CB-CD1 3.79Å; E53-L59 HydrophobicContact CB-CG 3.95Å; E53-L59 HydrophobicContact CG-CD1 4.02Å; L59-L74 CarbonylContact C-O 3.54Å; L59-L74 WeakPolarHBondContact CA-O 3.36Å; L59-I75 HydrophobicContact CD2-CB 4.02Å; L59-I75 HydrophobicContact CD2-CG2 3.61Å; L59-L142 HydrophobicContact CB-CD1 4.31Å; L59-L142 HydrophobicContact CD1-CB 4.2Å; L59-L142 HydrophobicContact CD2-CB 4.04Å; L59-L143 HydrophobicContact CD1-CD2 3.87Å; L59-L143 HydrophobicContact CD1-CG 3.9Å
60	E	96.1	Very high	94	Very high	86 Å²	86	70 Å²	70	40%	0.402	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143.5	171.1	-177.1	-170.9	142.4	0	0	108.8	K62 G73 L74	E60-K62 IonicContact OE1-NZ 3.73Å; E60-K62 PolarHBondContact OE1-NZ 3.38Å; E60-G73 CarbonylContact O-C 3.55Å; E60-G73 WeakPolarHBondContact O-CA 3.42Å; E60-L74 HydrophobicContact CB-CB 4.2Å; E60-L74 PolarHBondContact N-O 3.43Å; E60-L74 PolarHBondContact O-N 3.25Å
61	I	97	Very high	94.1	Very high	21 Å²	21	61.6 Å²	61.6	11%	0.108	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.6	166.8	-57.9	178.8	0	0	0	108.5	L45 L48 L71 C72 I92 L138 L142	L45-I61 HydrophobicContact CD2-CB 3.76Å; L45-I61 HydrophobicContact CD2-CG2 3.5Å; L45-I61 VanDerWaalsContact CD2-CG2 3.5Å; L48-I61 HydrophobicContact CD2-CB 3.73Å; L48-I61 HydrophobicContact CD2-CD1 3.65Å; L48-I61 HydrophobicContact CD2-CG1 3.5Å; L48-I61 VanDerWaalsContact CD2-CG1 3.5Å; I61-L71 HydrophobicContact CG2-CB 3.79Å; I61-L71 HydrophobicContact CG2-CD1 3.91Å; I61-L71 HydrophobicContact CG2-CG 4.35Å; I61-C72 WeakPolarHBondContact CA-O 3.3Å; I61-I92 HydrophobicContact CD1-CD1 4.36Å; I61-L138 HydrophobicContact CD1-CB 3.59Å; I61-L138 HydrophobicContact CD1-CD1 4.14Å; I61-L138 HydrophobicContact CD1-CG 4.39Å; I61-L142 HydrophobicContact CD1-CD1 3.58Å; I61-L142 HydrophobicContact CD1-CG 4.14Å; I61-L142 HydrophobicContact CG1-CD1 3.51Å
62	K	94	Very high	94.3	Very high	106 Å²	106	62.8 Å²	62.8	46%	0.461	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	156.6	172.7	62.4	-171.2	165.4	-142.9	0	111.5	E60 C64 L71 C72	E60-K62 IonicContact OE1-NZ 3.73Å; E60-K62 PolarHBondContact OE1-NZ 3.38Å; K62-C64 PolarHBondContact O-N 3.06Å; K62-L71 CarbonylContact O-C 3.5Å; K62-L71 WeakPolarHBondContact O-CA 3.37Å; K62-C72 HydrophobicContact CG-CB 3.96Å; K62-C72 PolarHBondContact N-O 3.19Å; K62-C72 PolarHBondContact O-N 3.27Å
63	P	94.7	Very high	94.4	Very high	19 Å²	19	57.2 Å²	57.2	12%	0.123	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	135.5	167.6	-24	35.9	0	0	0	111.5	F28 M68 L71	F28-P63 HydrophobicContact CE1-CG 3.98Å; F28-P63 HydrophobicContact CZ-CG 4.05Å; P63-M68 HydrophobicContact CB-SD 4.44Å; P63-M68 HydrophobicContact CG-SD 3.67Å; P63-L71 HydrophobicContact CB-CD2 4.49Å; P63-L71 HydrophobicContact CG-CD2 4.47Å
64	C	93.1	Very high	94.5	Very high	9 Å²	9	56.7 Å²	56.7	6%	0.061	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	123.4	167.6	-59.4	0	0	0	0	108	K62 D66 D67 H70 L71 C72	K62-C64 PolarHBondContact O-N 3.06Å; C64-D66 PolarHBondContact O-N 2.84Å; C64-D67 PolarHBondContact O-N 3.49Å; C64-H70 WeakPolarHBondContact CB-O 3.49Å; C64-H70 PolarHBondContact N-O 2.88Å; C64-H70 VanDerWaalsContact SG-CD2 3.6Å; C64-L71 PolarHBondContact SG-O 3.04Å; C64-C72 HydrophobicContact CB-CB 4.45Å; C64-C72 WeakPolarHBondContact CB-SG 3.5Å; C64-C72 WeakPolarHBondContact SG-CA 3.44Å; C64-C72 WeakPolarHBondContact SG-CB 3.29Å; C64-C72 PolarHBondContact SG-N 3.36Å; C64-C72 CovalentContact SG-SG 2.05Å; C64-C72 PolarHBondContact SG-SG 2.84Å
65	N	90.3	Very high	94.8	Very high	157 Å²	157	55.6 Å²	55.6	84%	0.84	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	39.2	178.4	-52.3	-41.1	0	0	0	113.8	D67	N65-D67 PolarHBondContact O-N 3.43Å
66	D	86.9	Confident	95	Very high	137 Å²	137	54.1 Å²	54.1	73%	0.733	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	14.8	-178.8	-56.8	-45.5	0	0	0	115.9	C64	C64-D66 PolarHBondContact O-N 2.84Å
67	D	91.5	Very high	95.1	Very high	76 Å²	76	48.6 Å²	48.6	41%	0.406	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.3	172.5	-175.6	-0.5	0	0	0	111.3	C64 N65 M69 H70	C64-D67 PolarHBondContact O-N 3.49Å; N65-D67 PolarHBondContact O-N 3.43Å; D67-M69 PolarHBondContact O-N 2.99Å; D67-M69 WeakPolarHBondContact OD1-CB 3.38Å; D67-M69 PolarHBondContact OD1-N 2.98Å; D67-H70 HydrophobicContact CB-CB 4.1Å; D67-H70 CarbonylContact O-C 3.57Å; D67-H70 PolarHBondContact O-N 3.39Å
68	M	90.8	Very high	95.3	Very high	27 Å²	27	44 Å²	44	13%	0.133	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-15	178.4	-67.8	-62.5	-55.3	0	0	113.8	I41 Q42 L45 P63	I41-M68 HydrophobicContact CG2-CE 3.9Å; Q42-M68 HydrophobicContact CG-CE 4Å; L45-M68 HydrophobicContact CD1-CE 3.67Å; P63-M68 HydrophobicContact CB-SD 4.44Å; P63-M68 HydrophobicContact CG-SD 3.67Å
69	M	94.5	Very high	95.3	Very high	49 Å²	49	45.9 Å²	45.9	24%	0.241	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-5.6	178.1	-55.7	-59	-70.5	0	0	112.4	A37 D67 I94	A37-M69 HydrophobicContact CB-CE 3.91Å; A37-M69 HydrophobicContact CB-SD 4.4Å; D67-M69 PolarHBondContact O-N 2.99Å; D67-M69 WeakPolarHBondContact OD1-CB 3.38Å; D67-M69 PolarHBondContact OD1-N 2.98Å; M69-I94 HydrophobicContact CB-CB 4.38Å; M69-I94 HydrophobicContact CE-CB 3.79Å; M69-I94 HydrophobicContact CE-CG2 3.47Å; M69-I94 VanDerWaalsContact CE-CG2 3.47Å; M69-I94 WeakPolarHBondContact O-CB 3.29Å; M69-I94 PolarHBondContact O-N 2.9Å; M69-I94 HydrophobicContact SD-CB 4.27Å; M69-I94 HydrophobicContact SD-CG2 4.14Å
70	H	97.2	Very high	95.2	Very high	51 Å²	51	53.6 Å²	53.6	24%	0.236	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	105.7	173.3	-175.5	179.8	0	0	0	109.2	C64 D67 D91 I93	C64-H70 WeakPolarHBondContact CB-O 3.49Å; C64-H70 PolarHBondContact N-O 2.88Å; C64-H70 VanDerWaalsContact SG-CD2 3.6Å; D67-H70 HydrophobicContact CB-CB 4.1Å; D67-H70 CarbonylContact O-C 3.57Å; D67-H70 PolarHBondContact O-N 3.39Å; H70-D91 IonicContact CD2-OD1 3.47Å; H70-D91 IonicContact CE1-OD1 3.58Å; H70-D91 IonicContact NE2-OD1 3.5Å; H70-D91 PolarHBondContact NE2-OD1 2.83Å; H70-I93 HydrophobicContact CB-CD1 4.19Å; H70-I93 WeakPolarHBondContact CD2-CD1 3.44Å
71	L	97.8	Very high	95.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.4	-174.5	-49.2	174.6	0	0	0	111.7	I41 I61 K62 P63 C64 I92 I94 L138	I41-L71 HydrophobicContact CG2-CD1 4.03Å; I61-L71 HydrophobicContact CG2-CB 3.79Å; I61-L71 HydrophobicContact CG2-CD1 3.91Å; I61-L71 HydrophobicContact CG2-CG 4.35Å; K62-L71 CarbonylContact O-C 3.5Å; K62-L71 WeakPolarHBondContact O-CA 3.37Å; P63-L71 HydrophobicContact CB-CD2 4.49Å; P63-L71 HydrophobicContact CG-CD2 4.47Å; C64-L71 PolarHBondContact SG-O 3.04Å; L71-I92 HydrophobicContact CB-CB 4.05Å; L71-I92 HydrophobicContact CB-CG2 4.35Å; L71-I92 PolarHBondContact N-O 3.02Å; L71-I92 WeakPolarHBondContact O-CB 3.47Å; L71-I92 PolarHBondContact O-N 3.19Å; L71-I94 HydrophobicContact CD1-CD1 4.02Å; L71-I94 HydrophobicContact CD1-CG1 4.14Å; L71-I94 HydrophobicContact CG-CG1 4.35Å; L71-L138 HydrophobicContact CD1-CD1 3.41Å; L71-L138 VanDerWaalsContact CD1-CD1 3.41Å
72	C	97.6	Very high	95.3	Very high	38 Å²	38	50.4 Å²	50.4	26%	0.257	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	108.5	178.1	-77.1	0	0	0	0	106.6	I61 K62 C64	I61-C72 WeakPolarHBondContact CA-O 3.3Å; K62-C72 HydrophobicContact CG-CB 3.96Å; K62-C72 PolarHBondContact N-O 3.19Å; K62-C72 PolarHBondContact O-N 3.27Å; C64-C72 HydrophobicContact CB-CB 4.45Å; C64-C72 WeakPolarHBondContact CB-SG 3.5Å; C64-C72 WeakPolarHBondContact SG-CA 3.44Å; C64-C72 WeakPolarHBondContact SG-CB 3.29Å; C64-C72 PolarHBondContact SG-N 3.36Å; C64-C72 CovalentContact SG-SG 2.05Å; C64-C72 PolarHBondContact SG-SG 2.84Å
73	G	97.7	Very high	95.5	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	153.9	177.3	0	0	0	0	0	112.1	E60 N89 L90	E60-G73 CarbonylContact O-C 3.55Å; E60-G73 WeakPolarHBondContact O-CA 3.42Å; G73-N89 CarbonylContact O-C 3.52Å; G73-N89 WeakPolarHBondContact O-CA 3.27Å; G73-L90 PolarHBondContact N-O 3.09Å; G73-L90 PolarHBondContact O-N 2.99Å
74	L	98	Very high	95.6	Very high	25 Å²	25	47.3 Å²	47.3	13%	0.131	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.1	167	179.6	153.8	0	0	0	108.9	L59 E60 E87 F88	L59-L74 CarbonylContact C-O 3.54Å; L59-L74 WeakPolarHBondContact CA-O 3.36Å; E60-L74 HydrophobicContact CB-CB 4.2Å; E60-L74 PolarHBondContact N-O 3.43Å; E60-L74 PolarHBondContact O-N 3.25Å; L74-E87 HydrophobicContact CD1-CB 4.3Å; L74-F88 VanDerWaalsContact CA-O 3.32Å; L74-F88 WeakPolarHBondContact CA-O 3.27Å
75	I	98.3	Very high	95.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.1	171.5	65.9	173.7	0	0	0	110.2	L59 F88 L90 F107 L142 I145 L149	L59-I75 HydrophobicContact CD2-CB 4.02Å; L59-I75 HydrophobicContact CD2-CG2 3.61Å; I75-F88 HydrophobicContact CG1-CB 3.96Å; I75-F88 HydrophobicContact CG1-CD2 4.45Å; I75-F88 PolarHBondContact N-O 2.86Å; I75-F88 PolarHBondContact O-N 3.39Å; I75-L90 HydrophobicContact CD1-CD1 4.31Å; I75-L90 HydrophobicContact CG1-CD1 4.34Å; I75-L90 HydrophobicContact CG2-CD1 3.88Å; I75-F107 HydrophobicContact CD1-CE1 4.37Å; I75-F107 HydrophobicContact CD1-CZ 4.08Å; I75-L142 HydrophobicContact CG2-CB 3.97Å; I75-L142 HydrophobicContact CG2-CD1 4.09Å; I75-L142 HydrophobicContact CG2-CD2 4Å; I75-L142 HydrophobicContact CG2-CG 4.26Å; I75-I145 HydrophobicContact CD1-CB 4.29Å; I75-I145 HydrophobicContact CD1-CG2 3.52Å; I75-L149 HydrophobicContact CD1-CD1 3.99Å
76	K	97.8	Very high	96.1	Very high	48 Å²	48	41.7 Å²	41.7	21%	0.209	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	142.6	169.3	-75.8	-168.4	176.5	157.9	0	111.7	N57 Q58 A86 E87 Q146	N57-K76 WeakPolarHBondContact O-CD 3.18Å; N57-K76 WeakPolarHBondContact O-CE 3.37Å; N57-K76 WeakPolarHBondContact O-CG 2.97Å; N57-K76 PolarHBondContact O-NZ 3.46Å; Q58-K76 PolarHBondContact O-N 2.96Å; K76-A86 CarbonylContact C-O 3.57Å; K76-A86 WeakPolarHBondContact CA-O 3.41Å; K76-E87 HydrophobicContact CG-CG 4.37Å; K76-Q146 PolarHBondContact O-NE2 3.03Å
77	G	97.9	Very high	96.6	Very high	6 Å²	6	36.9 Å²	36.9	6%	0.062	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-60.5	132.4	171.4	0	0	0	0	0	111.2	Y83 A86	G77-Y83 WeakPolarHBondContact CA-O 3.37Å; G77-A86 PolarHBondContact N-O 2.97Å
78	P	97.4	Very high	97	Very high	10 Å²	10	33.3 Å²	33.3	7%	0.065	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-62.4	152.4	-178.1	-14.4	24.4	0	0	0	112.2	T81 T84 Q146 L149 A150	P78-T81 HydrophobicContact CB-CG2 3.87Å; P78-T81 HydrophobicContact CG-CG2 4.19Å; P78-T81 PolarHBondContact O-OG1 3.19Å; P78-T84 WeakPolarHBondContact O-CA 3.24Å; P78-T84 PolarHBondContact O-OG1 2.98Å; P78-T84 VanDerWaalsContact O-OG1 3.11Å; P78-Q146 HydrophobicContact CB-CG 4.5Å; P78-Q146 HydrophobicContact CG-CG 3.78Å; P78-Q146 WeakPolarHBondContact CG-O 3.12Å; P78-L149 HydrophobicContact CG-CB 3.91Å; P78-A150 HydrophobicContact CB-CB 4.13Å; P78-A150 HydrophobicContact CG-CB 4.05Å
79	P	95.7	Very high	97.3	Very high	91 Å²	91	35 Å²	35	59%	0.591	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	157.9	171.3	30	-35.7	0	0	0	111.2	T81	P79-T81 PolarHBondContact O-N 3.45Å; P79-T81 VanDerWaalsContact O-N 3.12Å
80	D	95.4	Very high	97.5	Very high	167 Å²	167	32.7 Å²	32.7	89%	0.893	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	21.9	178.3	-53.3	-46	0	0	0	114.6	T84	D80-T84 PolarHBondContact N-OG1 3.3Å
81	T	97.3	Very high	97.6	Very high	22 Å²	22	31.5 Å²	31.5	14%	0.135	19%	0.19	C	C	.	.	S	Bend	trans	-118	164.2	173	73.3	0	0	0	0	111.2	P78 P79 Y83 T84 A150	P78-T81 HydrophobicContact CB-CG2 3.87Å; P78-T81 HydrophobicContact CG-CG2 4.19Å; P78-T81 PolarHBondContact O-OG1 3.19Å; P79-T81 PolarHBondContact O-N 3.45Å; P79-T81 VanDerWaalsContact O-N 3.12Å; T81-Y83 PolarHBondContact O-N 2.87Å; T81-Y83 PolarHBondContact OG1-N 3.02Å; T81-Y83 VanDerWaalsContact OG1-N 3.15Å; T81-T84 PolarHBondContact N-OG1 3.19Å; T81-T84 WeakPolarHBondContact O-CB 3.25Å; T81-T84 PolarHBondContact O-N 2.61Å; T81-T84 VanDerWaalsContact O-N 3.14Å; T81-T84 PolarHBondContact O-OG1 3.07Å; T81-T84 PolarHBondContact OG1-N 2.66Å; T81-A150 HydrophobicContact CG2-CB 4.08Å
82	P	97.4	Very high	97.6	Very high	18 Å²	18	31.5 Å²	31.5	12%	0.117	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-17.6	169.1	-24.8	35.9	0	0	0	114.1	F173 N174 A177 R178	P82-F173 HydrophobicContact CG-CE1 4.38Å; P82-N174 HydrophobicContact CG-CB 4.17Å; P82-N174 WeakPolarHBondContact CG-OD1 3.34Å; P82-A177 HydrophobicContact CB-CB 3.65Å; P82-A177 HydrophobicContact CG-CB 4.23Å; P82-R178 HydrophobicContact CB-CB 4.42Å; P82-R178 WeakPolarHBondContact O-CA 3.46Å
83	Y	98.1	Very high	97.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.008	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.4	-177.3	-43.2	-66.5	0	0	0	113.2	G77 T81 G85 A86 F88 I111 W112 H113 L149 F173 A177	G77-Y83 WeakPolarHBondContact CA-O 3.37Å; T81-Y83 PolarHBondContact O-N 2.87Å; T81-Y83 PolarHBondContact OG1-N 3.02Å; T81-Y83 VanDerWaalsContact OG1-N 3.15Å; Y83-G85 PolarHBondContact O-N 3.12Å; Y83-A86 WeakPolarHBondContact O-CB 3.27Å; Y83-A86 PolarHBondContact O-N 2.89Å; Y83-F88 AromaticContact CD1-CZ 3.87Å; Y83-F88 HydrophobicContact CD1-CZ 3.87Å; Y83-F88 HydrophobicContact CG-CE2 4.44Å; Y83-F88 HydrophobicContact CG-CZ 4.22Å; Y83-I111 HydrophobicContact CD1-CD1 4.11Å; Y83-I111 HydrophobicContact CD1-CG1 4.3Å; Y83-I111 HydrophobicContact CE1-CD1 3.91Å; Y83-I111 HydrophobicContact CE1-CG1 3.87Å; Y83-W112 PolarHBondContact OH-O 3.32Å; Y83-H113 AromaticContact CZ-CD2 3.84Å; Y83-H113 PolarHBondContact OH-CD2 3.46Å; Y83-H113 VanDerWaalsContact OH-CD2 3.22Å; Y83-L149 HydrophobicContact CD2-CB 3.98Å; Y83-L149 HydrophobicContact CE2-CB 4.22Å; Y83-L149 HydrophobicContact CE2-CD2 4.45Å; Y83-L149 VanDerWaalsContact CE2-O 3.27Å; Y83-L149 WeakPolarHBondContact CE2-O 3.4Å; Y83-F173 WeakPolarHBondContact OH-CZ 3.4Å; Y83-A177 HydrophobicContact CE1-CB 3.87Å
84	T	96.8	Very high	97.6	Very high	58 Å²	58	32.9 Å²	32.9	36%	0.356	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	124.9	-176.2	-58.7	0	0	0	0	111.5	P78 D80 T81 A86 P188	P78-T84 WeakPolarHBondContact O-CA 3.24Å; P78-T84 PolarHBondContact O-OG1 2.98Å; P78-T84 VanDerWaalsContact O-OG1 3.11Å; D80-T84 PolarHBondContact N-OG1 3.3Å; T81-T84 PolarHBondContact N-OG1 3.19Å; T81-T84 WeakPolarHBondContact O-CB 3.25Å; T81-T84 PolarHBondContact O-N 2.61Å; T81-T84 VanDerWaalsContact O-N 3.14Å; T81-T84 PolarHBondContact O-OG1 3.07Å; T81-T84 PolarHBondContact OG1-N 2.66Å; T84-A86 VanDerWaalsContact C-N 3.29Å; T84-A86 PolarHBondContact O-N 3.34Å; T84-P188 WeakPolarHBondContact O-CD 3.49Å; T84-P188 WeakPolarHBondContact O-CG 3.41Å
85	G	96	Very high	97.5	Very high	48 Å²	48	33.3 Å²	33.3	50%	0.495	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	-4.7	178.8	0	0	0	0	0	115.3	Y83	Y83-G85 PolarHBondContact O-N 3.12Å
86	A	97.8	Very high	97.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.237	C	C	.	.			trans	-79	152.9	174.9	0	0	0	0	0	112.6	K76 G77 Y83 T84 F88 A181 A185	K76-A86 CarbonylContact C-O 3.57Å; K76-A86 WeakPolarHBondContact CA-O 3.41Å; G77-A86 PolarHBondContact N-O 2.97Å; Y83-A86 WeakPolarHBondContact O-CB 3.27Å; Y83-A86 PolarHBondContact O-N 2.89Å; T84-A86 VanDerWaalsContact C-N 3.29Å; T84-A86 PolarHBondContact O-N 3.34Å; A86-F88 HydrophobicContact CB-CD2 4.47Å; A86-F88 HydrophobicContact CB-CE2 3.64Å; A86-F88 HydrophobicContact CB-CZ 3.67Å; A86-A181 HydrophobicContact CB-CB 3.98Å; A86-A185 CarbonylContact C-O 3.59Å; A86-A185 VanDerWaalsContact CA-O 3.26Å; A86-A185 WeakPolarHBondContact CA-O 3.34Å; A86-A185 HydrophobicContact CB-CB 3.76Å
87	E	98.1	Very high	97	Very high	36 Å²	36	44.4 Å²	44.4	17%	0.168	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.9	176.1	-66	-178.4	165.9	0	0	109.4	R20 L74 K76 A185	R20-E87 IonicContact NH2-OE1 2.86Å; R20-E87 PolarHBondContact NH2-OE1 3.34Å; R20-E87 IonicContact NH2-OE2 2.72Å; R20-E87 PolarHBondContact NH2-OE2 2.92Å; L74-E87 HydrophobicContact CD1-CB 4.3Å; K76-E87 HydrophobicContact CG-CG 4.37Å; E87-A185 PolarHBondContact N-O 3.28Å; E87-A185 WeakPolarHBondContact O-CB 3.38Å
88	F	98.7	Very high	96.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.7	-178.3	-59.4	-82.7	0	0	0	111.2	L74 I75 Y83 A86 F107 T109 I111 L149 A185	L74-F88 VanDerWaalsContact CA-O 3.32Å; L74-F88 WeakPolarHBondContact CA-O 3.27Å; I75-F88 HydrophobicContact CG1-CB 3.96Å; I75-F88 HydrophobicContact CG1-CD2 4.45Å; I75-F88 PolarHBondContact N-O 2.86Å; I75-F88 PolarHBondContact O-N 3.39Å; Y83-F88 AromaticContact CD1-CZ 3.87Å; Y83-F88 HydrophobicContact CD1-CZ 3.87Å; Y83-F88 HydrophobicContact CG-CE2 4.44Å; Y83-F88 HydrophobicContact CG-CZ 4.22Å; A86-F88 HydrophobicContact CB-CD2 4.47Å; A86-F88 HydrophobicContact CB-CE2 3.64Å; A86-F88 HydrophobicContact CB-CZ 3.67Å; F88-F107 HydrophobicContact CB-CD1 3.95Å; F88-F107 HydrophobicContact CB-CE1 3.63Å; F88-F107 HydrophobicContact CD1-CD1 4.17Å; F88-F107 HydrophobicContact CD1-CE1 4.02Å; F88-F107 HydrophobicContact CG-CD1 4.3Å; F88-F107 AromaticContact CG-CE1 3.84Å; F88-F107 HydrophobicContact CG-CE1 3.84Å; F88-T109 HydrophobicContact CD1-CG2 3.69Å; F88-T109 HydrophobicContact CE1-CG2 4.31Å; F88-I111 HydrophobicContact CD1-CB 4.34Å; F88-I111 HydrophobicContact CD1-CD1 4.01Å; F88-I111 HydrophobicContact CD1-CG1 4.43Å; F88-I111 HydrophobicContact CE1-CB 4.04Å; F88-I111 HydrophobicContact CE1-CD1 3.59Å; F88-I111 HydrophobicContact CE1-CG1 3.8Å; F88-I111 HydrophobicContact CE2-CD1 4.43Å; F88-I111 HydrophobicContact CZ-CD1 3.82Å; F88-I111 HydrophobicContact CZ-CG1 4.29Å; F88-L149 HydrophobicContact CD2-CD1 4.14Å; F88-L149 HydrophobicContact CE2-CD1 4.13Å; F88-A185 HydrophobicContact CD1-CB 3.91Å; F88-A185 HydrophobicContact CE1-CB 3.61Å; F88-A185 HydrophobicContact CZ-CB 4.05Å
89	N	98.5	Very high	96.9	Very high	63 Å²	63	44.1 Å²	44.1	34%	0.337	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	138.8	173.5	-61.4	-71.9	0	0	0	110.4	G73 I108 T109	G73-N89 CarbonylContact O-C 3.52Å; G73-N89 WeakPolarHBondContact O-CA 3.27Å; N89-I108 HydrophobicContact CB-CB 4.17Å; N89-I108 PolarHBondContact O-N 3.2Å; N89-T109 PolarHBondContact N-OG1 3.22Å; N89-T109 PolarHBondContact ND2-OG1 2.7Å; N89-T109 PolarHBondContact O-N 3.47Å
90	L	98.7	Very high	96.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140	-178.3	-58	174.5	0	0	0	110.1	G73 I75 I92 V105 K106 F107 L142 I145	G73-L90 PolarHBondContact N-O 3.09Å; G73-L90 PolarHBondContact O-N 2.99Å; I75-L90 HydrophobicContact CD1-CD1 4.31Å; I75-L90 HydrophobicContact CG1-CD1 4.34Å; I75-L90 HydrophobicContact CG2-CD1 3.88Å; L90-I92 HydrophobicContact CB-CG1 4.4Å; L90-V105 HydrophobicContact CB-CG1 4.3Å; L90-V105 HydrophobicContact CD1-CG1 4.34Å; L90-K106 CarbonylContact C-O 3.2Å; L90-K106 WeakPolarHBondContact CA-O 3.48Å; L90-F107 HydrophobicContact CD2-CB 4.31Å; L90-F107 HydrophobicContact CD2-CD1 3.69Å; L90-F107 HydrophobicContact CD2-CD2 3.63Å; L90-F107 HydrophobicContact CD2-CE1 3.8Å; L90-F107 HydrophobicContact CD2-CE2 3.72Å; L90-F107 HydrophobicContact CD2-CG 3.6Å; L90-F107 HydrophobicContact CD2-CZ 3.81Å; L90-L142 HydrophobicContact CD1-CD2 3.42Å; L90-L142 VanDerWaalsContact CD1-CD2 3.42Å; L90-I145 HydrophobicContact CD1-CD1 4.19Å
91	D	98.3	Very high	96.9	Very high	26 Å²	26	42 Å²	42	14%	0.139	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.9	170.1	-171.7	62.2	0	0	0	108.2	H70 V105 K106 I108	H70-D91 IonicContact CD2-OD1 3.47Å; H70-D91 IonicContact CE1-OD1 3.58Å; H70-D91 IonicContact NE2-OD1 3.5Å; H70-D91 PolarHBondContact NE2-OD1 2.83Å; D91-V105 WeakPolarHBondContact O-CA 3.37Å; D91-K106 HydrophobicContact CB-CD 4.39Å; D91-K106 HydrophobicContact CB-CG 3.74Å; D91-K106 PolarHBondContact N-O 3.31Å; D91-K106 PolarHBondContact O-N 3.26Å; D91-K106 WeakPolarHBondContact OD2-CE 3.49Å; D91-K106 IonicContact OD2-NZ 2.99Å; D91-I108 HydrophobicContact CB-CD1 3.89Å; D91-I108 HydrophobicContact CB-CG1 3.74Å
92	I	98.4	Very high	96.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	113.2	-174.5	-56.8	170.3	0	0	0	108.5	I61 L71 L90 I94 P103 K104 V105 L138 L142	I61-I92 HydrophobicContact CD1-CD1 4.36Å; L71-I92 HydrophobicContact CB-CB 4.05Å; L71-I92 HydrophobicContact CB-CG2 4.35Å; L71-I92 PolarHBondContact N-O 3.02Å; L71-I92 WeakPolarHBondContact O-CB 3.47Å; L71-I92 PolarHBondContact O-N 3.19Å; L90-I92 HydrophobicContact CB-CG1 4.4Å; I92-I94 HydrophobicContact CG2-CD1 3.85Å; I92-P103 HydrophobicContact CG2-CB 4.15Å; I92-K104 CarbonylContact C-O 3.36Å; I92-K104 WeakPolarHBondContact CA-O 3.45Å; I92-V105 HydrophobicContact CG1-CG1 4.13Å; I92-V105 HydrophobicContact CG1-CG2 4.25Å; I92-V105 HydrophobicContact CG2-CG2 4.31Å; I92-L138 HydrophobicContact CG2-CD2 3.97Å; I92-L142 HydrophobicContact CD1-CD2 4.29Å
93	I	97.7	Very high	96.9	Very high	62 Å²	62	41.3 Å²	41.3	32%	0.318	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.6	176.8	-53	-62.1	0	0	0	109.5	H70 P103 K104	H70-I93 HydrophobicContact CB-CD1 4.19Å; H70-I93 WeakPolarHBondContact CD2-CD1 3.44Å; I93-P103 WeakPolarHBondContact O-CA 3.47Å; I93-K104 HydrophobicContact CB-CB 4.29Å; I93-K104 PolarHBondContact N-O 3.32Å; I93-K104 PolarHBondContact O-N 2.83Å
94	I	97.2	Very high	96.9	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.041	26%	0.259	C	S	.	.			trans	-87.8	121.2	178.6	-50.5	-53.8	0	0	0	109	I41 M69 L71 I92 Y98 P103 L138	I41-I94 HydrophobicContact CD1-CB 4.48Å; I41-I94 HydrophobicContact CD1-CD1 3.61Å; I41-I94 HydrophobicContact CD1-CG1 3.77Å; I41-I94 HydrophobicContact CD1-CG2 3.87Å; I41-I94 HydrophobicContact CG1-CG1 4.23Å; I41-I94 HydrophobicContact CG1-CG2 4.02Å; M69-I94 HydrophobicContact CB-CB 4.38Å; M69-I94 HydrophobicContact CE-CB 3.79Å; M69-I94 HydrophobicContact CE-CG2 3.47Å; M69-I94 VanDerWaalsContact CE-CG2 3.47Å; M69-I94 WeakPolarHBondContact O-CB 3.29Å; M69-I94 PolarHBondContact O-N 2.9Å; M69-I94 HydrophobicContact SD-CB 4.27Å; M69-I94 HydrophobicContact SD-CG2 4.14Å; L71-I94 HydrophobicContact CD1-CD1 4.02Å; L71-I94 HydrophobicContact CD1-CG1 4.14Å; L71-I94 HydrophobicContact CG-CG1 4.35Å; I92-I94 HydrophobicContact CG2-CD1 3.85Å; I94-Y98 HydrophobicContact CG2-CD1 4.11Å; I94-Y98 HydrophobicContact CG2-CD2 4.25Å; I94-Y98 HydrophobicContact CG2-CG 3.71Å; I94-P103 HydrophobicContact CD1-CB 3.92Å; I94-L138 HydrophobicContact CD1-CD2 4.01Å
95	P	95.7	Very high	97	Very high	33 Å²	33	46.9 Å²	46.9	21%	0.214	25%	0.246	C	C	.	.			trans	-72	156.4	175.2	31.3	-36.6	0	0	0	111.1	N97 Y98 V101 P102	P95-N97 PolarHBondContact O-N 3.46Å; P95-N97 VanDerWaalsContact O-N 3.16Å; P95-Y98 VanDerWaalsContact O-CB 3.32Å; P95-Y98 WeakPolarHBondContact O-CB 3.35Å; P95-Y98 PolarHBondContact O-N 2.99Å; P95-V101 HydrophobicContact CB-CB 4.43Å; P95-V101 HydrophobicContact CB-CG1 4.26Å; P95-V101 HydrophobicContact CG-CB 3.93Å; P95-V101 HydrophobicContact CG-CG1 3.96Å; P95-P102 WeakPolarHBondContact CG-O 3.5Å
96	E	92.3	Very high	97.1	Very high	177 Å²	177	49 Å²	49	83%	0.827	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.4	176.6	-64.3	-177.4	168.2	0	0	112.9	Y98	E96-Y98 VanDerWaalsContact C-N 3.3Å; E96-Y98 PolarHBondContact O-N 2.88Å
97	N	93.8	Very high	97.1	Very high	104 Å²	104	49.3 Å²	49.3	56%	0.556	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	11.3	-178.8	-68.3	-3.8	0	0	0	113.9	P95 F100 V101	P95-N97 PolarHBondContact O-N 3.46Å; P95-N97 VanDerWaalsContact O-N 3.16Å; N97-F100 WeakPolarHBondContact O-CA 3.27Å; N97-F100 WeakPolarHBondContact O-CB 3.44Å; N97-F100 WeakPolarHBondContact O-CD2 3.34Å; N97-F100 PolarHBondContact O-N 3.4Å; N97-V101 HydrophobicContact CB-CB 4.4Å; N97-V101 HydrophobicContact CB-CG2 3.84Å
98	Y	96.5	Very high	97.2	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.008	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	133.5	175	-168.1	-99.7	0	0	0	110.6	A37 R40 I41 E44 I94 P95 E96 V101 P103 W132	A37-Y98 WeakPolarHBondContact CA-O 3.3Å; A37-Y98 WeakPolarHBondContact CB-O 3.47Å; R40-Y98 HydrophobicContact CB-CD1 4.35Å; R40-Y98 HydrophobicContact CB-CE1 4.33Å; R40-Y98 HydrophobicContact CG-CD1 4.05Å; R40-Y98 HydrophobicContact CG-CE1 3.62Å; I41-Y98 HydrophobicContact CD1-CD1 3.69Å; I41-Y98 HydrophobicContact CD1-CE1 3.45Å; I41-Y98 VanDerWaalsContact CD1-CE1 3.45Å; I41-Y98 HydrophobicContact CD1-CG 4.49Å; I41-Y98 HydrophobicContact CG1-CD1 4.14Å; I41-Y98 HydrophobicContact CG1-CE1 4.25Å; E44-Y98 VanDerWaalsContact CD-OH 3.25Å; E44-Y98 WeakPolarHBondContact OE1-CE1 3.3Å; E44-Y98 PolarHBondContact OE1-OH 3.18Å; E44-Y98 PolarHBondContact OE2-OH 2.93Å; I94-Y98 HydrophobicContact CG2-CD1 4.11Å; I94-Y98 HydrophobicContact CG2-CD2 4.25Å; I94-Y98 HydrophobicContact CG2-CG 3.71Å; P95-Y98 VanDerWaalsContact O-CB 3.32Å; P95-Y98 WeakPolarHBondContact O-CB 3.35Å; P95-Y98 PolarHBondContact O-N 2.99Å; E96-Y98 VanDerWaalsContact C-N 3.3Å; E96-Y98 PolarHBondContact O-N 2.88Å; Y98-V101 WeakPolarHBondContact CD2-O 3.37Å; Y98-P103 HydrophobicContact CE2-CG 4.43Å; Y98-W132 HydrophobicContact CD2-CZ2 4.24Å; Y98-W132 AromaticContact CE2-CH2 3.62Å; Y98-W132 HydrophobicContact CE2-CH2 3.62Å; Y98-W132 AromaticContact CE2-CZ2 3.54Å; Y98-W132 HydrophobicContact CE2-CZ2 3.54Å
99	P	95.9	Very high	97.2	Very high	9 Å²	9	52.9 Å²	52.9	6%	0.058	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	cis	-97.2	14.7	12.4	38.4	-36.5	0	0	0	115.6	R40 V101 W132 A134	R40-P99 HydrophobicContact CG-CB 4.28Å; R40-P99 HydrophobicContact CG-CG 4.33Å; P99-V101 VanDerWaalsContact C-N 3.32Å; P99-W132 HydrophobicContact CB-CZ2 4.44Å; P99-W132 WeakPolarHBondContact O-CZ2 3.36Å; P99-W132 PolarHBondContact O-NE1 3.32Å; P99-A134 HydrophobicContact CB-CB 4.26Å; P99-A134 HydrophobicContact CG-CB 4.23Å; P99-A134 WeakPolarHBondContact O-CA 3.14Å; P99-A134 WeakPolarHBondContact O-CB 3.5Å
100	F	95.8	Very high	97.1	Very high	151 Å²	151	53.2 Å²	53.2	66%	0.662	26%	0.261	S	S	*	.	S	Bend	trans	-79	-17.5	-178.8	-53.2	-69.6	0	0	0	113.5	N97 A134	N97-F100 WeakPolarHBondContact O-CA 3.27Å; N97-F100 WeakPolarHBondContact O-CB 3.44Å; N97-F100 WeakPolarHBondContact O-CD2 3.34Å; N97-F100 PolarHBondContact O-N 3.4Å; F100-A134 HydrophobicContact CD1-CB 4.46Å
101	V	96.1	Very high	97.1	Very high	61 Å²	61	53.3 Å²	53.3	37%	0.37	26%	0.262	S	S	.	.	S	Bend	trans	-122.6	138	174.4	178.2	0	0	0	0	108	P95 N97 Y98 P99	P95-V101 HydrophobicContact CB-CB 4.43Å; P95-V101 HydrophobicContact CB-CG1 4.26Å; P95-V101 HydrophobicContact CG-CB 3.93Å; P95-V101 HydrophobicContact CG-CG1 3.96Å; N97-V101 HydrophobicContact CB-CB 4.4Å; N97-V101 HydrophobicContact CB-CG2 3.84Å; Y98-V101 WeakPolarHBondContact CD2-O 3.37Å; P99-V101 VanDerWaalsContact C-N 3.32Å
102	P	97.3	Very high	97.1	Very high	25 Å²	25	52.1 Å²	52.1	16%	0.162	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-63.5	154	179.6	24.3	-32.6	0	0	0	111.9	P95 W132	P95-P102 WeakPolarHBondContact CG-O 3.5Å; P102-W132 HydrophobicContact CB-CB 3.89Å; P102-W132 HydrophobicContact CB-CD2 3.61Å; P102-W132 HydrophobicContact CB-CE3 3.9Å; P102-W132 HydrophobicContact CB-CG 3.6Å; P102-W132 HydrophobicContact CG-CB 3.98Å; P102-W132 HydrophobicContact CG-CD2 4.49Å; P102-W132 HydrophobicContact CG-CG 3.98Å
103	P	97.8	Very high	97.2	Very high	2 Å²	2	52 Å²	52	1%	0.013	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-68.4	150.2	169.2	31.8	-30.6	0	0	0	110	I92 I93 I94 Y98 V105 L138 I141	I92-P103 HydrophobicContact CG2-CB 4.15Å; I93-P103 WeakPolarHBondContact O-CA 3.47Å; I94-P103 HydrophobicContact CD1-CB 3.92Å; Y98-P103 HydrophobicContact CE2-CG 4.43Å; P103-V105 HydrophobicContact CB-CG2 4.42Å; P103-V105 HydrophobicContact CG-CG2 4.24Å; P103-L138 HydrophobicContact CG-CD2 4.22Å; P103-I141 HydrophobicContact CG-CD1 3.32Å
104	K	97.9	Very high	97.2	Very high	161 Å²	161	49.1 Å²	49.1	70%	0.7	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.3	169.5	-63	-179.9	-179.8	177.3	0	108.1	I92 I93	I92-K104 CarbonylContact C-O 3.36Å; I92-K104 WeakPolarHBondContact CA-O 3.45Å; I93-K104 HydrophobicContact CB-CB 4.29Å; I93-K104 PolarHBondContact N-O 3.32Å; I93-K104 PolarHBondContact O-N 2.83Å
105	V	98.5	Very high	97.3	Very high	15 Å²	15	48.9 Å²	48.9	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.6	179.9	-171.8	0	0	0	0	109.8	L90 D91 I92 P103 I123 L128 I141 I145	L90-V105 HydrophobicContact CB-CG1 4.3Å; L90-V105 HydrophobicContact CD1-CG1 4.34Å; D91-V105 WeakPolarHBondContact O-CA 3.37Å; I92-V105 HydrophobicContact CG1-CG1 4.13Å; I92-V105 HydrophobicContact CG1-CG2 4.25Å; I92-V105 HydrophobicContact CG2-CG2 4.31Å; P103-V105 HydrophobicContact CB-CG2 4.42Å; P103-V105 HydrophobicContact CG-CG2 4.24Å; V105-I123 HydrophobicContact CB-CD1 4.32Å; V105-I123 HydrophobicContact CG1-CD1 3.96Å; V105-L128 HydrophobicContact CB-CD1 4.09Å; V105-L128 HydrophobicContact CB-CD2 4.35Å; V105-L128 HydrophobicContact CG2-CD2 3.92Å; V105-I141 HydrophobicContact CG2-CG2 4.25Å; V105-I145 HydrophobicContact CG1-CD1 3.84Å
106	K	98.4	Very high	97.4	Very high	93 Å²	93	47.3 Å²	47.3	40%	0.404	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.9	170.4	63.4	174.2	177.3	178.5	0	110.8	L90 D91 G121	L90-K106 CarbonylContact C-O 3.2Å; L90-K106 WeakPolarHBondContact CA-O 3.48Å; D91-K106 HydrophobicContact CB-CD 4.39Å; D91-K106 HydrophobicContact CB-CG 3.74Å; D91-K106 PolarHBondContact N-O 3.31Å; D91-K106 PolarHBondContact O-N 3.26Å; D91-K106 WeakPolarHBondContact OD2-CE 3.49Å; D91-K106 IonicContact OD2-NZ 2.99Å; K106-G121 CarbonylContact C-O 3.57Å; K106-G121 WeakPolarHBondContact CA-O 3.38Å; K106-G121 WeakPolarHBondContact CB-O 3.38Å
107	F	98.7	Very high	97.7	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	128.4	169.8	-79.9	-105.1	0	0	0	110.7	I75 F88 L90 T109 I111 I116 G121 I123 I145 L149	I75-F107 HydrophobicContact CD1-CE1 4.37Å; I75-F107 HydrophobicContact CD1-CZ 4.08Å; F88-F107 HydrophobicContact CB-CD1 3.95Å; F88-F107 HydrophobicContact CB-CE1 3.63Å; F88-F107 HydrophobicContact CD1-CD1 4.17Å; F88-F107 HydrophobicContact CD1-CE1 4.02Å; F88-F107 HydrophobicContact CG-CD1 4.3Å; F88-F107 AromaticContact CG-CE1 3.84Å; F88-F107 HydrophobicContact CG-CE1 3.84Å; L90-F107 HydrophobicContact CD2-CB 4.31Å; L90-F107 HydrophobicContact CD2-CD1 3.69Å; L90-F107 HydrophobicContact CD2-CD2 3.63Å; L90-F107 HydrophobicContact CD2-CE1 3.8Å; L90-F107 HydrophobicContact CD2-CE2 3.72Å; L90-F107 HydrophobicContact CD2-CG 3.6Å; L90-F107 HydrophobicContact CD2-CZ 3.81Å; F107-T109 WeakPolarHBondContact CB-O 3.29Å; F107-I111 HydrophobicContact CB-CG2 4.43Å; F107-I111 HydrophobicContact CD1-CB 4.47Å; F107-I111 HydrophobicContact CD1-CG2 3.92Å; F107-I111 HydrophobicContact CE1-CD1 4.02Å; F107-I111 HydrophobicContact CE1-CG2 4.33Å; F107-I111 HydrophobicContact CG-CG2 4.07Å; F107-I111 HydrophobicContact CZ-CD1 4.48Å; F107-I116 HydrophobicContact CB-CG2 4.36Å; F107-I116 HydrophobicContact CD2-CD1 3.88Å; F107-I116 HydrophobicContact CD2-CG1 4.26Å; F107-I116 HydrophobicContact CD2-CG2 3.73Å; F107-I116 HydrophobicContact CE1-CD1 4.29Å; F107-I116 HydrophobicContact CE2-CD1 3.31Å; F107-I116 HydrophobicContact CE2-CG1 3.99Å; F107-I116 HydrophobicContact CE2-CG2 4.31Å; F107-I116 HydrophobicContact CG-CG2 4.15Å; F107-I116 HydrophobicContact CZ-CD1 3.55Å; F107-G121 PolarHBondContact N-O 2.96Å; F107-I123 HydrophobicContact CD2-CD1 3.67Å; F107-I123 HydrophobicContact CD2-CG1 3.68Å; F107-I123 HydrophobicContact CE2-CD1 3.6Å; F107-I123 HydrophobicContact CE2-CG1 3.86Å; F107-I145 HydrophobicContact CE2-CG2 3.77Å; F107-I145 HydrophobicContact CZ-CG2 3.64Å; F107-L149 HydrophobicContact CZ-CD2 4.3Å
108	I	98.4	Very high	97.9	Very high	98 Å²	98	34.9 Å²	34.9	50%	0.503	17%	0.169	S	C	.	.	S	Bend	trans	-83.8	-46.3	163.7	-60.4	172.1	0	0	0	108.4	N89 D91 K110	N89-I108 HydrophobicContact CB-CB 4.17Å; N89-I108 PolarHBondContact O-N 3.2Å; D91-I108 HydrophobicContact CB-CD1 3.89Å; D91-I108 HydrophobicContact CB-CG1 3.74Å; I108-K110 PolarHBondContact O-N 3.3Å
109	T	98.4	Very high	97.9	Very high	12 Å²	12	37.4 Å²	37.4	7%	0.074	19%	0.19	C	C	.	.	S	Bend	trans	-69.3	120.2	174.6	-62.9	0	0	0	0	109.7	F88 N89 F107 I111 Y184 A185	F88-T109 HydrophobicContact CD1-CG2 3.69Å; F88-T109 HydrophobicContact CE1-CG2 4.31Å; N89-T109 PolarHBondContact N-OG1 3.22Å; N89-T109 PolarHBondContact ND2-OG1 2.7Å; N89-T109 PolarHBondContact O-N 3.47Å; F107-T109 WeakPolarHBondContact CB-O 3.29Å; T109-I111 PolarHBondContact O-N 2.9Å; T109-Y184 VanDerWaalsContact CG2-O 3.27Å; T109-Y184 WeakPolarHBondContact CG2-O 3.49Å; T109-A185 HydrophobicContact CG2-CB 3.59Å
110	K	98.3	Very high	98	Very high	70 Å²	70	40.9 Å²	40.9	30%	0.304	21%	0.212	S	C	.	.			trans	-59.1	137.6	177.1	-67.1	171.3	178	-70	0	110.6	I108 W180 Y184 H209	I108-K110 PolarHBondContact O-N 3.3Å; K110-W180 HydrophobicContact CB-CE3 4.21Å; K110-W180 HydrophobicContact CB-CZ3 4.05Å; K110-Y184 HydrophobicContact CB-CD1 4.22Å; K110-Y184 HydrophobicContact CB-CD2 3.51Å; K110-Y184 HydrophobicContact CB-CE2 3.92Å; K110-Y184 HydrophobicContact CB-CG 3.71Å; K110-Y184 HydrophobicContact CD-CD1 4.04Å; K110-Y184 HydrophobicContact CD-CD2 4.41Å; K110-Y184 HydrophobicContact CD-CE1 3.8Å; K110-Y184 HydrophobicContact CD-CE2 4.19Å; K110-Y184 HydrophobicContact CD-CG 4.36Å; K110-H209 WeakPolarHBondContact CD-CE1 3.5Å; K110-H209 VanDerWaalsContact CE-CE1 3.43Å; K110-H209 WeakPolarHBondContact CE-CE1 3.18Å; K110-H209 WeakPolarHBondContact CE-NE2 3.47Å; K110-H209 PolarHBondContact NZ-CE1 3.44Å; K110-H209 VanDerWaalsContact NZ-CE1 3.32Å; K110-H209 PolarHBondContact NZ-NE2 3.2Å
111	I	98.6	Very high	98.1	Very high	3 Å²	3	34 Å²	34	2%	0.015	18%	0.183	C	C	.	.			trans	-144.3	146.8	-175.9	-171.1	172.6	0	0	0	110.5	Y83 F88 F107 T109 H113 I116 L149	Y83-I111 HydrophobicContact CD1-CD1 4.11Å; Y83-I111 HydrophobicContact CD1-CG1 4.3Å; Y83-I111 HydrophobicContact CE1-CD1 3.91Å; Y83-I111 HydrophobicContact CE1-CG1 3.87Å; F88-I111 HydrophobicContact CD1-CB 4.34Å; F88-I111 HydrophobicContact CD1-CD1 4.01Å; F88-I111 HydrophobicContact CD1-CG1 4.43Å; F88-I111 HydrophobicContact CE1-CB 4.04Å; F88-I111 HydrophobicContact CE1-CD1 3.59Å; F88-I111 HydrophobicContact CE1-CG1 3.8Å; F88-I111 HydrophobicContact CE2-CD1 4.43Å; F88-I111 HydrophobicContact CZ-CD1 3.82Å; F88-I111 HydrophobicContact CZ-CG1 4.29Å; F107-I111 HydrophobicContact CB-CG2 4.43Å; F107-I111 HydrophobicContact CD1-CB 4.47Å; F107-I111 HydrophobicContact CD1-CG2 3.92Å; F107-I111 HydrophobicContact CE1-CD1 4.02Å; F107-I111 HydrophobicContact CE1-CG2 4.33Å; F107-I111 HydrophobicContact CG-CG2 4.07Å; F107-I111 HydrophobicContact CZ-CD1 4.48Å; T109-I111 PolarHBondContact O-N 2.9Å; I111-H113 HydrophobicContact CD1-CB 4.41Å; I111-H113 HydrophobicContact CG1-CB 4.3Å; I111-I116 HydrophobicContact CD1-CD1 4.1Å; I111-I116 HydrophobicContact CG2-CB 3.94Å; I111-I116 HydrophobicContact CG2-CD1 3.93Å; I111-I116 HydrophobicContact CG2-CG2 3.51Å; I111-L149 HydrophobicContact CD1-CD1 4.4Å; I111-L149 HydrophobicContact CD1-CD2 3.5Å
112	W	98.4	Very high	98.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.			trans	-104	93	176.2	-165.8	-104.7	0	0	0	109.7	Y83 V161 V162 F173 T176 A177 W180 M217	Y83-W112 PolarHBondContact OH-O 3.32Å; W112-V161 HydrophobicContact CH2-CG1 4.43Å; W112-V162 HydrophobicContact CD2-CG1 4.27Å; W112-V162 HydrophobicContact CD2-CG2 3.69Å; W112-V162 HydrophobicContact CE3-CG2 3.78Å; W112-V162 HydrophobicContact CG-CG1 4.17Å; W112-V162 HydrophobicContact CG-CG2 4.35Å; W112-V162 HydrophobicContact CH2-CG2 3.83Å; W112-V162 HydrophobicContact CZ2-CB 4.43Å; W112-V162 HydrophobicContact CZ2-CG2 3.74Å; W112-V162 HydrophobicContact CZ3-CG2 3.85Å; W112-F173 AromaticContact CD1-CD2 3.95Å; W112-T176 HydrophobicContact CD2-CG2 3.83Å; W112-T176 HydrophobicContact CG-CG2 3.75Å; W112-T176 HydrophobicContact CZ2-CG2 4.33Å; W112-A177 HydrophobicContact CB-CB 4.45Å; W112-W180 HydrophobicContact CB-CB 4.09Å; W112-W180 HydrophobicContact CB-CD2 3.8Å; W112-W180 HydrophobicContact CB-CE3 4.11Å; W112-W180 HydrophobicContact CB-CG 3.78Å; W112-W180 HydrophobicContact CD2-CZ2 4.34Å; W112-W180 HydrophobicContact CE3-CD2 4.1Å; W112-W180 AromaticContact CE3-CE2 3.55Å; W112-W180 HydrophobicContact CE3-CE3 4.36Å; W112-W180 AromaticContact CE3-CH2 3.66Å; W112-W180 HydrophobicContact CE3-CH2 3.66Å; W112-W180 AromaticContact CE3-CZ2 3.32Å; W112-W180 HydrophobicContact CE3-CZ2 3.32Å; W112-W180 HydrophobicContact CE3-CZ3 4.15Å; W112-W180 HydrophobicContact CG-CD2 4.49Å; W112-W180 AromaticContact CZ3-CH2 3.98Å; W112-W180 HydrophobicContact CZ3-CH2 3.98Å; W112-W180 AromaticContact CZ3-CZ2 3.61Å; W112-W180 HydrophobicContact CZ3-CZ2 3.61Å; W112-M217 HydrophobicContact CH2-CG 3.9Å
113	H	98.7	Very high	98.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-144.7	139.2	-175.2	-174	-78.6	0	0	0	111.6	Y83 I111 N115 I116 L148 V162	Y83-H113 AromaticContact CZ-CD2 3.84Å; Y83-H113 PolarHBondContact OH-CD2 3.46Å; Y83-H113 VanDerWaalsContact OH-CD2 3.22Å; I111-H113 HydrophobicContact CD1-CB 4.41Å; I111-H113 HydrophobicContact CG1-CB 4.3Å; H113-N115 VanDerWaalsContact C-N 3.28Å; H113-N115 PolarHBondContact CE1-OD1 3.41Å; H113-N115 VanDerWaalsContact CE1-OD1 3.27Å; H113-N115 PolarHBondContact ND1-N 2.89Å; H113-N115 PolarHBondContact O-N 2.79Å; H113-I116 HydrophobicContact CB-CB 4.12Å; H113-I116 HydrophobicContact CB-CD1 3.91Å; H113-I116 HydrophobicContact CB-CG1 4.21Å; H113-I116 PolarHBondContact O-N 3.05Å; H113-I116 VanDerWaalsContact O-N 3.1Å; H113-L148 PolarHBondContact NE2-O 3.16Å; H113-V162 VanDerWaalsContact C-CG1 3.41Å
114	P	98.5	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-38.9	-177.3	-28.6	36.3	0	0	0	114.6	P152 P154 Q158 D159 V162 A163 Y166 F173	P114-P152 HydrophobicContact CB-CB 4.46Å; P114-P152 HydrophobicContact CG-CB 3.9Å; P114-P154 HydrophobicContact CB-CB 4.23Å; P114-P154 HydrophobicContact CG-CB 4.47Å; P114-Q158 PolarHBondContact O-N 2.77Å; P114-D159 PolarHBondContact O-N 3.09Å; P114-V162 HydrophobicContact CG-CG1 4.26Å; P114-A163 HydrophobicContact CB-CB 4.05Å; P114-Y166 HydrophobicContact CG-CD2 3.96Å; P114-Y166 HydrophobicContact CG-CG 3.94Å; P114-F173 HydrophobicContact CG-CE2 4.34Å
115	N	98.6	Very high	97.9	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	10.2	-178.6	-48.7	92.1	0	0	0	114.5	H113 C124 L148 E153 D156 Q158	H113-N115 VanDerWaalsContact C-N 3.28Å; H113-N115 PolarHBondContact CE1-OD1 3.41Å; H113-N115 VanDerWaalsContact CE1-OD1 3.27Å; H113-N115 PolarHBondContact ND1-N 2.89Å; H113-N115 PolarHBondContact O-N 2.79Å; N115-C124 HydrophobicContact CB-CB 4.49Å; N115-C124 PolarHBondContact O-N 3.07Å; N115-L148 HydrophobicContact CB-CD1 4.05Å; N115-L148 HydrophobicContact CB-CD2 3.99Å; N115-L148 HydrophobicContact CB-CG 4.33Å; N115-E153 PolarHBondContact ND2-O 3.19Å; N115-E153 PolarHBondContact OD1-N 2.89Å; N115-D156 PolarHBondContact ND2-O 2.87Å; N115-Q158 WeakPolarHBondContact O-CB 3.23Å
116	I	98.7	Very high	97.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-131.8	129.6	176.4	-54	161.1	0	0	0	109.1	F107 I111 H113 S118 V122 I123 L149	F107-I116 HydrophobicContact CB-CG2 4.36Å; F107-I116 HydrophobicContact CD2-CD1 3.88Å; F107-I116 HydrophobicContact CD2-CG1 4.26Å; F107-I116 HydrophobicContact CD2-CG2 3.73Å; F107-I116 HydrophobicContact CE1-CD1 4.29Å; F107-I116 HydrophobicContact CE2-CD1 3.31Å; F107-I116 HydrophobicContact CE2-CG1 3.99Å; F107-I116 HydrophobicContact CE2-CG2 4.31Å; F107-I116 HydrophobicContact CG-CG2 4.15Å; F107-I116 HydrophobicContact CZ-CD1 3.55Å; I111-I116 HydrophobicContact CD1-CD1 4.1Å; I111-I116 HydrophobicContact CG2-CB 3.94Å; I111-I116 HydrophobicContact CG2-CD1 3.93Å; I111-I116 HydrophobicContact CG2-CG2 3.51Å; H113-I116 HydrophobicContact CB-CB 4.12Å; H113-I116 HydrophobicContact CB-CD1 3.91Å; H113-I116 HydrophobicContact CB-CG1 4.21Å; H113-I116 PolarHBondContact O-N 3.05Å; H113-I116 VanDerWaalsContact O-N 3.1Å; I116-S118 PolarHBondContact O-N 2.86Å; I116-V122 CarbonylContact C-O 3.58Å; I116-V122 WeakPolarHBondContact CA-O 3.38Å; I116-I123 HydrophobicContact CG1-CG1 4.46Å; I116-I123 HydrophobicContact CG1-CG2 4.49Å; I116-L149 HydrophobicContact CD1-CD2 3.72Å
117	S	98.3	Very high	97.5	Very high	16 Å²	16	26.7 Å²	26.7	11%	0.112	16%	0.156	C	C	.	.			trans	-63.4	120.2	179.7	178.4	0	0	0	0	111.1	A119 T120 G121 V122	S117-A119 PolarHBondContact O-N 2.88Å; S117-A119 PolarHBondContact OG-N 3.18Å; S117-T120 WeakPolarHBondContact CB-OG1 3.43Å; S117-T120 PolarHBondContact O-N 3.1Å; S117-T120 PolarHBondContact OG-N 3.2Å; S117-T120 PolarHBondContact OG-OG1 3.45Å; S117-G121 WeakPolarHBondContact O-CA 3.35Å; S117-G121 PolarHBondContact O-N 3.19Å; S117-V122 PolarHBondContact N-O 3.48Å
118	S	97.8	Very high	97.3	Very high	5 Å²	5	27.5 Å²	27.5	4%	0.035	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.5	176.2	62.1	0	0	0	0	113.3	I116 D159	I116-S118 PolarHBondContact O-N 2.86Å; S118-D159 VanDerWaalsContact CB-OD2 3.27Å; S118-D159 WeakPolarHBondContact CB-OD2 3.4Å; S118-D159 PolarHBondContact N-OD2 2.84Å; S118-D159 PolarHBondContact OG-OD2 3.45Å
119	A	96.7	Very high	97	Very high	54 Å²	54	28 Å²	28	45%	0.446	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-42.2	179.8	0	0	0	0	0	113.1	S117	S117-A119 PolarHBondContact O-N 2.88Å; S117-A119 PolarHBondContact OG-N 3.18Å
120	T	97.3	Very high	96.8	Very high	83 Å²	83	33.1 Å²	33.1	51%	0.509	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-13.7	-167.1	65.3	0	0	0	0	114.9	S117 V122	S117-T120 WeakPolarHBondContact CB-OG1 3.43Å; S117-T120 PolarHBondContact O-N 3.1Å; S117-T120 PolarHBondContact OG-N 3.2Å; S117-T120 PolarHBondContact OG-OG1 3.45Å; T120-V122 PolarHBondContact O-N 3Å; T120-V122 WeakPolarHBondContact OG1-CG2 3.36Å; T120-V122 PolarHBondContact OG1-N 3.45Å
121	G	98.3	Very high	96.7	Very high	6 Å²	6	34.8 Å²	34.8	6%	0.062	19%	0.194	C	C	.	.			trans	72.6	4.1	-175.1	0	0	0	0	0	115	K106 F107 S117	K106-G121 CarbonylContact C-O 3.57Å; K106-G121 WeakPolarHBondContact CA-O 3.38Å; K106-G121 WeakPolarHBondContact CB-O 3.38Å; F107-G121 PolarHBondContact N-O 2.96Å; S117-G121 WeakPolarHBondContact O-CA 3.35Å; S117-G121 PolarHBondContact O-N 3.19Å
122	V	98.1	Very high	96.6	Very high	65 Å²	65	36 Å²	36	39%	0.394	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-59.1	139.2	173.8	172.1	0	0	0	0	109.9	I116 S117 T120 Q158	I116-V122 CarbonylContact C-O 3.58Å; I116-V122 WeakPolarHBondContact CA-O 3.38Å; S117-V122 PolarHBondContact N-O 3.48Å; T120-V122 PolarHBondContact O-N 3Å; T120-V122 WeakPolarHBondContact OG1-CG2 3.36Å; T120-V122 PolarHBondContact OG1-N 3.45Å; V122-Q158 WeakPolarHBondContact O-CG 3.49Å
123	I	98	Very high	96.6	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.051	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-107.3	131	-175.6	-52.3	172	0	0	0	109.4	V105 F107 I116 L125 L128 I145 L148	V105-I123 HydrophobicContact CB-CD1 4.32Å; V105-I123 HydrophobicContact CG1-CD1 3.96Å; F107-I123 HydrophobicContact CD2-CD1 3.67Å; F107-I123 HydrophobicContact CD2-CG1 3.68Å; F107-I123 HydrophobicContact CE2-CD1 3.6Å; F107-I123 HydrophobicContact CE2-CG1 3.86Å; I116-I123 HydrophobicContact CG1-CG1 4.46Å; I116-I123 HydrophobicContact CG1-CG2 4.49Å; I123-L125 HydrophobicContact CG2-CB 3.75Å; I123-L128 HydrophobicContact CB-CD1 4.23Å; I123-L128 HydrophobicContact CD1-CD1 4.29Å; I123-L128 HydrophobicContact CG2-CD1 4.27Å; I123-I145 HydrophobicContact CD1-CD1 3.89Å; I123-I145 HydrophobicContact CD1-CG1 4.35Å; I123-L148 HydrophobicContact CG2-CD2 4.06Å
124	C	95.5	Very high	96.4	Very high	12 Å²	12	39.9 Å²	39.9	8%	0.081	23%	0.231	C	C	.	.			trans	-92.4	101	161.6	-169	0	0	0	0	108.7	N115 K129 Q158	N115-C124 HydrophobicContact CB-CB 4.49Å; N115-C124 PolarHBondContact O-N 3.07Å; C124-K129 PolarHBondContact SG-NZ 3.03Å; C124-Q158 HydrophobicContact CB-CB 3.8Å; C124-Q158 HydrophobicContact CB-CG 4.43Å
125	L	94.6	Very high	96.3	Very high	20 Å²	20	44.3 Å²	44.3	11%	0.105	27%	0.267	C	S	.	.			trans	-146.7	129.7	175.6	-178.6	63.6	0	0	0	108.3	I123 V127 L128 I145 L148	I123-L125 HydrophobicContact CG2-CB 3.75Å; L125-V127 HydrophobicContact CD1-CG2 4.4Å; L125-V127 HydrophobicContact CD2-CG2 3.61Å; L125-V127 HydrophobicContact CG-CG2 3.69Å; L125-V127 PolarHBondContact O-N 3.15Å; L125-L128 HydrophobicContact CB-CD1 4.23Å; L125-L128 HydrophobicContact CB-CG 4.41Å; L125-L128 HydrophobicContact CD2-CD1 4.37Å; L125-L128 HydrophobicContact CD2-CG 4.37Å; L125-L128 WeakPolarHBondContact O-CB 3.45Å; L125-L128 PolarHBondContact O-N 2.84Å; L125-L128 VanDerWaalsContact O-N 3.16Å; L125-I145 HydrophobicContact CD2-CG1 3.86Å; L125-L148 HydrophobicContact CB-CD2 4.38Å; L125-L148 HydrophobicContact CD1-CD2 4.32Å
126	D	93.4	Very high	96.3	Very high	81 Å²	81	46.6 Å²	46.6	43%	0.433	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-63.6	-37.1	-173.1	62.5	-18.6	0	0	0	113.6	L128 K129 D130 Q131	D126-L128 PolarHBondContact O-N 3.27Å; D126-K129 CarbonylContact O-C 3.57Å; D126-K129 WeakPolarHBondContact O-CA 3.44Å; D126-K129 PolarHBondContact O-N 2.8Å; D126-D130 PolarHBondContact O-N 3.22Å; D126-Q131 HydrophobicContact CB-CB 4.13Å; D126-Q131 HydrophobicContact CB-CG 3.77Å; D126-Q131 PolarHBondContact O-N 2.79Å
127	V	94.2	Very high	96.2	Very high	16 Å²	16	47.4 Å²	47.4	10%	0.097	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-67.3	-14.2	176.3	-59.5	0	0	0	0	113.4	L125 K129 Q131 M136	L125-V127 HydrophobicContact CD1-CG2 4.4Å; L125-V127 HydrophobicContact CD2-CG2 3.61Å; L125-V127 HydrophobicContact CG-CG2 3.69Å; L125-V127 PolarHBondContact O-N 3.15Å; V127-K129 VanDerWaalsContact C-N 3.35Å; V127-Q131 HydrophobicContact CG1-CB 4.45Å; V127-M136 HydrophobicContact CB-CE 4.3Å; V127-M136 HydrophobicContact CB-SD 4.07Å; V127-M136 HydrophobicContact CG1-CE 3.8Å; V127-M136 HydrophobicContact CG1-SD 4.22Å
128	L	94.5	Very high	96.1	Very high	24 Å²	24	46.8 Å²	46.8	13%	0.126	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-92.6	3.3	170.3	-62.1	177.4	0	0	0	112.6	V105 I123 L125 D126 I141	V105-L128 HydrophobicContact CB-CD1 4.09Å; V105-L128 HydrophobicContact CB-CD2 4.35Å; V105-L128 HydrophobicContact CG2-CD2 3.92Å; I123-L128 HydrophobicContact CB-CD1 4.23Å; I123-L128 HydrophobicContact CD1-CD1 4.29Å; I123-L128 HydrophobicContact CG2-CD1 4.27Å; L125-L128 HydrophobicContact CB-CD1 4.23Å; L125-L128 HydrophobicContact CB-CG 4.41Å; L125-L128 HydrophobicContact CD2-CD1 4.37Å; L125-L128 HydrophobicContact CD2-CG 4.37Å; L125-L128 WeakPolarHBondContact O-CB 3.45Å; L125-L128 PolarHBondContact O-N 2.84Å; L125-L128 VanDerWaalsContact O-N 3.16Å; D126-L128 PolarHBondContact O-N 3.27Å; L128-I141 HydrophobicContact CD2-CG1 4.45Å; L128-I141 HydrophobicContact CD2-CG2 3.82Å
129	K	93	Very high	96.1	Very high	107 Å²	107	50.1 Å²	50.1	47%	0.465	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-114.4	-176.1	-62	176.8	-177.6	174	0	110	C124 D126 V127	C124-K129 PolarHBondContact SG-NZ 3.03Å; D126-K129 CarbonylContact O-C 3.57Å; D126-K129 WeakPolarHBondContact O-CA 3.44Å; D126-K129 PolarHBondContact O-N 2.8Å; V127-K129 VanDerWaalsContact C-N 3.35Å
130	D	93.9	Very high	96.1	Very high	121 Å²	121	49.9 Å²	49.9	65%	0.647	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-18.9	-171.2	58.2	-70.8	0	0	0	114.1	D126 W132	D126-D130 PolarHBondContact O-N 3.22Å; D130-W132 VanDerWaalsContact C-N 3.33Å
131	Q	95.5	Very high	96.1	Very high	104 Å²	104	46.1 Å²	46.1	49%	0.486	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	8	176.7	-58.7	-58.5	-41.3	0	0	113.2	D126 V127 A133 M136	D126-Q131 HydrophobicContact CB-CB 4.13Å; D126-Q131 HydrophobicContact CB-CG 3.77Å; D126-Q131 PolarHBondContact O-N 2.79Å; V127-Q131 HydrophobicContact CG1-CB 4.45Å; Q131-A133 PolarHBondContact O-N 3.25Å; Q131-M136 WeakPolarHBondContact O-CE 3.4Å
132	W	97.3	Very high	96.1	Very high	30 Å²	30	45.9 Å²	45.9	11%	0.114	26%	0.258	C	S	.	.			trans	-63.5	132.3	174.5	172.8	-104.7	0	0	0	111.4	Y98 P99 P102 D130 M136 I141	Y98-W132 HydrophobicContact CD2-CZ2 4.24Å; Y98-W132 AromaticContact CE2-CH2 3.62Å; Y98-W132 HydrophobicContact CE2-CH2 3.62Å; Y98-W132 AromaticContact CE2-CZ2 3.54Å; Y98-W132 HydrophobicContact CE2-CZ2 3.54Å; P99-W132 HydrophobicContact CB-CZ2 4.44Å; P99-W132 WeakPolarHBondContact O-CZ2 3.36Å; P99-W132 PolarHBondContact O-NE1 3.32Å; P102-W132 HydrophobicContact CB-CB 3.89Å; P102-W132 HydrophobicContact CB-CD2 3.61Å; P102-W132 HydrophobicContact CB-CE3 3.9Å; P102-W132 HydrophobicContact CB-CG 3.6Å; P102-W132 HydrophobicContact CG-CB 3.98Å; P102-W132 HydrophobicContact CG-CD2 4.49Å; P102-W132 HydrophobicContact CG-CG 3.98Å; D130-W132 VanDerWaalsContact C-N 3.33Å; W132-M136 HydrophobicContact CE3-CB 4.07Å; W132-M136 HydrophobicContact CE3-SD 3.94Å; W132-M136 HydrophobicContact CH2-CB 3.94Å; W132-M136 HydrophobicContact CZ3-CB 3.53Å; W132-M136 HydrophobicContact CZ3-CG 4.47Å; W132-M136 HydrophobicContact CZ3-SD 4.27Å; W132-I141 HydrophobicContact CE3-CD1 4.4Å; W132-I141 HydrophobicContact CH2-CD1 4.07Å; W132-I141 HydrophobicContact CZ3-CD1 3.48Å; W132-I141 VanDerWaalsContact CZ3-CD1 3.48Å; W132-I141 HydrophobicContact CZ3-CG1 3.98Å
133	A	97.1	Very high	96	Very high	44 Å²	44	45 Å²	45	36%	0.364	25%	0.251	S	S	.	.			trans	-124.3	139.3	170.3	0	0	0	0	0	110.5	Q131 A135 M136	Q131-A133 PolarHBondContact O-N 3.25Å; A133-A135 PolarHBondContact O-N 3.08Å; A133-M136 HydrophobicContact CB-CE 4.47Å; A133-M136 HydrophobicContact CB-CG 4.34Å; A133-M136 VanDerWaalsContact O-CB 3.28Å; A133-M136 WeakPolarHBondContact O-CB 3.41Å; A133-M136 PolarHBondContact O-N 2.85Å
134	A	96	Very high	96	Very high	37 Å²	37	46.5 Å²	46.5	31%	0.306	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-9.1	177.8	0	0	0	0	0	114.6	R40 P99 F100	R40-A134 PolarHBondContact NH1-O 3.33Å; R40-A134 VanDerWaalsContact NH1-O 3.14Å; R40-A134 PolarHBondContact NH2-O 3.21Å; P99-A134 HydrophobicContact CB-CB 4.26Å; P99-A134 HydrophobicContact CG-CB 4.23Å; P99-A134 WeakPolarHBondContact O-CA 3.14Å; P99-A134 WeakPolarHBondContact O-CB 3.5Å; F100-A134 HydrophobicContact CD1-CB 4.46Å
135	A	96.5	Very high	96.1	Very high	93 Å²	93	45.9 Å²	45.9	77%	0.769	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-19.4	171.6	0	0	0	0	0	113.4	A133	A133-A135 PolarHBondContact O-N 3.08Å
136	M	97.1	Very high	96.3	Very high	50 Å²	50	46.2 Å²	46.2	25%	0.246	26%	0.26	C	S	.	.			trans	-68.8	161.7	174.6	-65	179.7	177.2	0	0	111.1	R40 V127 Q131 W132 A133	R40-M136 PolarHBondContact NH2-O 3.2Å; V127-M136 HydrophobicContact CB-CE 4.3Å; V127-M136 HydrophobicContact CB-SD 4.07Å; V127-M136 HydrophobicContact CG1-CE 3.8Å; V127-M136 HydrophobicContact CG1-SD 4.22Å; Q131-M136 WeakPolarHBondContact O-CE 3.4Å; W132-M136 HydrophobicContact CE3-CB 4.07Å; W132-M136 HydrophobicContact CE3-SD 3.94Å; W132-M136 HydrophobicContact CH2-CB 3.94Å; W132-M136 HydrophobicContact CZ3-CB 3.53Å; W132-M136 HydrophobicContact CZ3-CG 4.47Å; W132-M136 HydrophobicContact CZ3-SD 4.27Å; A133-M136 HydrophobicContact CB-CE 4.47Å; A133-M136 HydrophobicContact CB-CG 4.34Å; A133-M136 VanDerWaalsContact O-CB 3.28Å; A133-M136 WeakPolarHBondContact O-CB 3.41Å; A133-M136 PolarHBondContact O-N 2.85Å
137	S	96.7	Very high	96.5	Very high	17 Å²	17	45.1 Å²	45.1	12%	0.119	26%	0.262	C	S	.	.			trans	-131.1	167.7	177.4	66.7	0	0	0	0	111.7	E44 R139 T140 I141	E44-S137 VanDerWaalsContact OE2-CA 3.26Å; E44-S137 WeakPolarHBondContact OE2-CA 3.37Å; E44-S137 WeakPolarHBondContact OE2-CB 3.47Å; S137-R139 PolarHBondContact O-N 3.03Å; S137-R139 PolarHBondContact OG-N 3.48Å; S137-T140 PolarHBondContact N-OG1 2.96Å; S137-T140 PolarHBondContact O-N 3.42Å; S137-T140 VanDerWaalsContact O-N 3.11Å; S137-T140 PolarHBondContact O-OG1 3.32Å; S137-T140 PolarHBondContact OG-N 3.03Å; S137-I141 WeakPolarHBondContact O-CG1 3.42Å; S137-I141 PolarHBondContact O-N 2.86Å
138	L	97.4	Very high	96.6	Very high	4 Å²	4	45 Å²	45	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-53.7	-40.4	170.1	-67.4	175.2	0	0	0	111.8	I41 E44 L45 I61 L71 I92 I94 P103 T140 I141 L142	I41-L138 HydrophobicContact CD1-CD1 3.94Å; I41-L138 HydrophobicContact CD1-CG 4.45Å; E44-L138 WeakPolarHBondContact OE2-CG 3.38Å; E44-L138 PolarHBondContact OE2-N 2.79Å; L45-L138 HydrophobicContact CD2-CD1 4.31Å; I61-L138 HydrophobicContact CD1-CB 3.59Å; I61-L138 HydrophobicContact CD1-CD1 4.14Å; I61-L138 HydrophobicContact CD1-CG 4.39Å; L71-L138 HydrophobicContact CD1-CD1 3.41Å; L71-L138 VanDerWaalsContact CD1-CD1 3.41Å; I92-L138 HydrophobicContact CG2-CD2 3.97Å; I94-L138 HydrophobicContact CD1-CD2 4.01Å; P103-L138 HydrophobicContact CG-CD2 4.22Å; L138-T140 PolarHBondContact O-N 2.83Å; L138-I141 PolarHBondContact O-N 3.5Å; L138-L142 WeakPolarHBondContact O-CG 3.42Å; L138-L142 PolarHBondContact O-N 3.42Å
139	R	97	Very high	96.8	Very high	75 Å²	75	44 Å²	44	28%	0.283	26%	0.256	S	S	.	.	H	α-helix	trans	-58.6	-49.1	175	177.7	174.7	167.5	-84.7	2.1	111.3	L48 E53 S137 I141 L142 L143	L48-R139 HydrophobicContact CD1-CB 3.89Å; L48-R139 HydrophobicContact CD1-CG 3.84Å; E53-R139 IonicContact OE1-CZ 3.65Å; E53-R139 IonicContact OE1-NE 3.63Å; E53-R139 IonicContact OE1-NH2 3.26Å; E53-R139 PolarHBondContact OE1-NH2 2.94Å; E53-R139 IonicContact OE2-CZ 3.54Å; E53-R139 IonicContact OE2-NE 2.69Å; E53-R139 PolarHBondContact OE2-NE 2.93Å; E53-R139 IonicContact OE2-NH2 2.66Å; E53-R139 PolarHBondContact OE2-NH2 2.72Å; S137-R139 PolarHBondContact O-N 3.03Å; S137-R139 PolarHBondContact OG-N 3.48Å; R139-I141 VanDerWaalsContact C-N 3.32Å; R139-I141 PolarHBondContact O-N 3.18Å; R139-L142 PolarHBondContact O-N 3.47Å; R139-L143 HydrophobicContact CG-CD1 4.09Å; R139-L143 WeakPolarHBondContact O-CG 3.34Å; R139-L143 PolarHBondContact O-N 3.07Å
140	T	96.8	Very high	97.1	Very high	49 Å²	49	41.3 Å²	41.3	30%	0.301	25%	0.253	S	S	.	.	H	α-helix	trans	-66.3	-35.3	-179.4	55.3	0	0	0	0	111.9	S137 L138 L143 S144	S137-T140 PolarHBondContact N-OG1 2.96Å; S137-T140 PolarHBondContact O-N 3.42Å; S137-T140 VanDerWaalsContact O-N 3.11Å; S137-T140 PolarHBondContact O-OG1 3.32Å; S137-T140 PolarHBondContact OG-N 3.03Å; L138-T140 PolarHBondContact O-N 2.83Å; T140-L143 PolarHBondContact O-N 3.34Å; T140-S144 PolarHBondContact O-N 3.08Å; T140-S144 PolarHBondContact O-OG 2.91Å; T140-S144 VanDerWaalsContact O-OG 3.08Å
141	I	97.2	Very high	97.2	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-48.7	174.1	-70.6	159.8	0	0	0	111.1	P103 V105 L128 W132 S137 L138 R139 L143 S144 I145	P103-I141 HydrophobicContact CG-CD1 3.32Å; V105-I141 HydrophobicContact CG2-CG2 4.25Å; L128-I141 HydrophobicContact CD2-CG1 4.45Å; L128-I141 HydrophobicContact CD2-CG2 3.82Å; W132-I141 HydrophobicContact CE3-CD1 4.4Å; W132-I141 HydrophobicContact CH2-CD1 4.07Å; W132-I141 HydrophobicContact CZ3-CD1 3.48Å; W132-I141 VanDerWaalsContact CZ3-CD1 3.48Å; W132-I141 HydrophobicContact CZ3-CG1 3.98Å; S137-I141 WeakPolarHBondContact O-CG1 3.42Å; S137-I141 PolarHBondContact O-N 2.86Å; L138-I141 PolarHBondContact O-N 3.5Å; R139-I141 VanDerWaalsContact C-N 3.32Å; R139-I141 PolarHBondContact O-N 3.18Å; I141-L143 VanDerWaalsContact C-N 3.3Å; I141-L143 PolarHBondContact O-N 3.16Å; I141-S144 WeakPolarHBondContact O-CB 3.35Å; I141-S144 PolarHBondContact O-N 3.37Å; I141-S144 VanDerWaalsContact O-N 3.16Å; I141-I145 HydrophobicContact CG2-CD1 3.9Å; I141-I145 HydrophobicContact CG2-CG1 4.47Å; I141-I145 WeakPolarHBondContact O-CG1 3.36Å; I141-I145 PolarHBondContact O-N 3.31Å
142	L	97.8	Very high	97.3	Very high	1 Å²	1	35 Å²	35	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-37.8	-179.6	-66.8	-165	0	0	0	112.2	L59 I61 I75 L90 I92 L138 R139 I145 Q146	L59-L142 HydrophobicContact CB-CD1 4.31Å; L59-L142 HydrophobicContact CD1-CB 4.2Å; L59-L142 HydrophobicContact CD2-CB 4.04Å; I61-L142 HydrophobicContact CD1-CD1 3.58Å; I61-L142 HydrophobicContact CD1-CG 4.14Å; I61-L142 HydrophobicContact CG1-CD1 3.51Å; I75-L142 HydrophobicContact CG2-CB 3.97Å; I75-L142 HydrophobicContact CG2-CD1 4.09Å; I75-L142 HydrophobicContact CG2-CD2 4Å; I75-L142 HydrophobicContact CG2-CG 4.26Å; L90-L142 HydrophobicContact CD1-CD2 3.42Å; L90-L142 VanDerWaalsContact CD1-CD2 3.42Å; I92-L142 HydrophobicContact CD1-CD2 4.29Å; L138-L142 WeakPolarHBondContact O-CG 3.42Å; L138-L142 PolarHBondContact O-N 3.42Å; R139-L142 PolarHBondContact O-N 3.47Å; L142-I145 HydrophobicContact CD2-CD1 4.37Å; L142-I145 PolarHBondContact O-N 3.05Å; L142-Q146 WeakPolarHBondContact O-CB 3.37Å; L142-Q146 PolarHBondContact O-N 3Å
143	L	97.1	Very high	97.3	Very high	47 Å²	47	39 Å²	39	25%	0.246	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-42.8	171.9	-75	171.6	0	0	0	112.2	E53 L59 R139 T140 I141 I145 Q146 A147	E53-L143 HydrophobicContact CG-CD2 4.05Å; L59-L143 HydrophobicContact CD1-CD2 3.87Å; L59-L143 HydrophobicContact CD1-CG 3.9Å; R139-L143 HydrophobicContact CG-CD1 4.09Å; R139-L143 WeakPolarHBondContact O-CG 3.34Å; R139-L143 PolarHBondContact O-N 3.07Å; T140-L143 PolarHBondContact O-N 3.34Å; I141-L143 VanDerWaalsContact C-N 3.3Å; I141-L143 PolarHBondContact O-N 3.16Å; L143-I145 VanDerWaalsContact C-N 3.35Å; L143-I145 PolarHBondContact O-N 3.15Å; L143-Q146 PolarHBondContact O-N 3.01Å; L143-A147 WeakPolarHBondContact O-CB 3.33Å; L143-A147 PolarHBondContact O-N 3.3Å
144	S	97.6	Very high	97.3	Very high	41 Å²	41	37.7 Å²	37.7	29%	0.287	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-39.2	175.4	-65.6	0	0	0	0	112.2	T140 I141 A147 L148	T140-S144 PolarHBondContact O-N 3.08Å; T140-S144 PolarHBondContact O-OG 2.91Å; T140-S144 VanDerWaalsContact O-OG 3.08Å; I141-S144 WeakPolarHBondContact O-CB 3.35Å; I141-S144 PolarHBondContact O-N 3.37Å; I141-S144 VanDerWaalsContact O-N 3.16Å; S144-A147 PolarHBondContact O-N 3.07Å; S144-L148 PolarHBondContact O-N 3.19Å
145	I	98.2	Very high	97.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-42.2	174.3	-64	167	0	0	0	110.3	I75 L90 V105 F107 I123 L125 I141 L142 L143 A147 L148 L149	I75-I145 HydrophobicContact CD1-CB 4.29Å; I75-I145 HydrophobicContact CD1-CG2 3.52Å; L90-I145 HydrophobicContact CD1-CD1 4.19Å; V105-I145 HydrophobicContact CG1-CD1 3.84Å; F107-I145 HydrophobicContact CE2-CG2 3.77Å; F107-I145 HydrophobicContact CZ-CG2 3.64Å; I123-I145 HydrophobicContact CD1-CD1 3.89Å; I123-I145 HydrophobicContact CD1-CG1 4.35Å; L125-I145 HydrophobicContact CD2-CG1 3.86Å; I141-I145 HydrophobicContact CG2-CD1 3.9Å; I141-I145 HydrophobicContact CG2-CG1 4.47Å; I141-I145 WeakPolarHBondContact O-CG1 3.36Å; I141-I145 PolarHBondContact O-N 3.31Å; L142-I145 HydrophobicContact CD2-CD1 4.37Å; L142-I145 PolarHBondContact O-N 3.05Å; L143-I145 VanDerWaalsContact C-N 3.35Å; L143-I145 PolarHBondContact O-N 3.15Å; I145-A147 VanDerWaalsContact C-N 3.32Å; I145-A147 PolarHBondContact O-N 2.75Å; I145-L148 WeakPolarHBondContact O-CB 3.5Å; I145-L148 PolarHBondContact O-N 3.14Å; I145-L149 WeakPolarHBondContact O-CG 3.48Å; I145-L149 PolarHBondContact O-N 3.32Å; I145-L149 VanDerWaalsContact O-N 3.08Å
146	Q	97.5	Very high	97.2	Very high	27 Å²	27	43 Å²	43	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-61.9	-40.6	175.7	-170	176	37	0	0	111.5	K76 P78 L142 L143 L149 A150	K76-Q146 PolarHBondContact O-NE2 3.03Å; P78-Q146 HydrophobicContact CB-CG 4.5Å; P78-Q146 HydrophobicContact CG-CG 3.78Å; P78-Q146 WeakPolarHBondContact CG-O 3.12Å; L142-Q146 WeakPolarHBondContact O-CB 3.37Å; L142-Q146 PolarHBondContact O-N 3Å; L143-Q146 PolarHBondContact O-N 3.01Å; Q146-L149 WeakPolarHBondContact O-CB 3.49Å; Q146-L149 PolarHBondContact O-N 2.9Å; Q146-A150 PolarHBondContact O-N 3.12Å
147	A	97.4	Very high	97.2	Very high	58 Å²	58	43 Å²	43	48%	0.479	25%	0.252	S	S	.	.	H	α-helix	trans	-63.4	-40.7	173.7	0	0	0	0	0	112.3	L143 S144 I145 L149 A150 S151	L143-A147 WeakPolarHBondContact O-CB 3.33Å; L143-A147 PolarHBondContact O-N 3.3Å; S144-A147 PolarHBondContact O-N 3.07Å; I145-A147 VanDerWaalsContact C-N 3.32Å; I145-A147 PolarHBondContact O-N 2.75Å; A147-L149 VanDerWaalsContact C-N 3.29Å; A147-L149 PolarHBondContact O-N 2.85Å; A147-A150 WeakPolarHBondContact O-CB 3Å; A147-A150 PolarHBondContact O-N 2.85Å; A147-S151 PolarHBondContact O-N 2.78Å
148	L	97.8	Very high	97.3	Very high	14 Å²	14	45.4 Å²	45.4	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-58.6	-40.1	174.8	-178.2	65.7	0	0	0	111.7	H113 N115 I123 L125 S144 I145 A150 S151	H113-L148 PolarHBondContact NE2-O 3.16Å; N115-L148 HydrophobicContact CB-CD1 4.05Å; N115-L148 HydrophobicContact CB-CD2 3.99Å; N115-L148 HydrophobicContact CB-CG 4.33Å; I123-L148 HydrophobicContact CG2-CD2 4.06Å; L125-L148 HydrophobicContact CB-CD2 4.38Å; L125-L148 HydrophobicContact CD1-CD2 4.32Å; S144-L148 PolarHBondContact O-N 3.19Å; I145-L148 WeakPolarHBondContact O-CB 3.5Å; I145-L148 PolarHBondContact O-N 3.14Å; L148-A150 PolarHBondContact O-N 2.79Å; L148-S151 CarbonylContact O-C 3.31Å; L148-S151 PolarHBondContact O-N 2.69Å
149	L	98.3	Very high	97.3	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-28.9	175.1	-63.2	-173.4	0	0	0	113.2	I75 P78 Y83 F88 F107 I111 I116 I145 Q146 A147	I75-L149 HydrophobicContact CD1-CD1 3.99Å; P78-L149 HydrophobicContact CG-CB 3.91Å; Y83-L149 HydrophobicContact CD2-CB 3.98Å; Y83-L149 HydrophobicContact CE2-CB 4.22Å; Y83-L149 HydrophobicContact CE2-CD2 4.45Å; Y83-L149 VanDerWaalsContact CE2-O 3.27Å; Y83-L149 WeakPolarHBondContact CE2-O 3.4Å; F88-L149 HydrophobicContact CD2-CD1 4.14Å; F88-L149 HydrophobicContact CE2-CD1 4.13Å; F107-L149 HydrophobicContact CZ-CD2 4.3Å; I111-L149 HydrophobicContact CD1-CD1 4.4Å; I111-L149 HydrophobicContact CD1-CD2 3.5Å; I116-L149 HydrophobicContact CD1-CD2 3.72Å; I145-L149 WeakPolarHBondContact O-CG 3.48Å; I145-L149 PolarHBondContact O-N 3.32Å; I145-L149 VanDerWaalsContact O-N 3.08Å; Q146-L149 WeakPolarHBondContact O-CB 3.49Å; Q146-L149 PolarHBondContact O-N 2.9Å; A147-L149 VanDerWaalsContact C-N 3.29Å; A147-L149 PolarHBondContact O-N 2.85Å
150	A	98	Very high	97.4	Very high	49 Å²	49	46 Å²	46	41%	0.405	28%	0.28	S	S	.	.	H	α-helix	trans	-84.6	-22.6	176.7	0	0	0	0	0	113.1	P78 T81 Q146 A147 L148	P78-A150 HydrophobicContact CB-CB 4.13Å; P78-A150 HydrophobicContact CG-CB 4.05Å; T81-A150 HydrophobicContact CG2-CB 4.08Å; Q146-A150 PolarHBondContact O-N 3.12Å; A147-A150 WeakPolarHBondContact O-CB 3Å; A147-A150 PolarHBondContact O-N 2.85Å; L148-A150 PolarHBondContact O-N 2.79Å
151	S	97.6	Very high	97.4	Very high	76 Å²	76	46.4 Å²	46.4	53%	0.531	28%	0.282	S	S	.	.	S	Bend	trans	-140.9	81.3	-176.9	-62.9	0	0	0	0	110.5	A147 L148	A147-S151 PolarHBondContact O-N 2.78Å; L148-S151 CarbonylContact O-C 3.31Å; L148-S151 PolarHBondContact O-N 2.69Å
152	P	97.6	Very high	97.5	Very high	18 Å²	18	46.3 Å²	46.3	12%	0.117	28%	0.281	C	S	.	.			trans	-65.2	147.2	177.2	-19.2	31.6	0	0	0	112.3	P114 P154 Y166	P114-P152 HydrophobicContact CB-CB 4.46Å; P114-P152 HydrophobicContact CG-CB 3.9Å; P152-P154 WeakPolarHBondContact O-CD 3.34Å; P152-Y166 HydrophobicContact CB-CE2 4.16Å; P152-Y166 HydrophobicContact CG-CE2 3.86Å
153	E	96.9	Very high	97.5	Very high	113 Å²	113	46.4 Å²	46.4	53%	0.528	28%	0.283	S	S	.	.			trans	-112.1	79.1	178.4	-69.8	-62.3	156.2	0	0	110.2	N115 D155 D156	N115-E153 PolarHBondContact ND2-O 3.19Å; N115-E153 PolarHBondContact OD1-N 2.89Å; E153-D155 PolarHBondContact O-N 2.93Å; E153-D156 CarbonylContact O-C 3.58Å; E153-D156 PolarHBondContact O-N 2.98Å
154	P	96.8	Very high	97.6	Very high	17 Å²	17	49.2 Å²	49.2	11%	0.11	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-8	-170	36.1	-42.4	0	0	0	113.5	P114 P152 A163 Y166 K167	P114-P154 HydrophobicContact CB-CB 4.23Å; P114-P154 HydrophobicContact CG-CB 4.47Å; P152-P154 WeakPolarHBondContact O-CD 3.34Å; P154-A163 HydrophobicContact CB-CB 4.34Å; P154-Y166 HydrophobicContact CB-CD1 3.76Å; P154-Y166 HydrophobicContact CB-CE1 4.3Å; P154-Y166 HydrophobicContact CB-CG 4.43Å; P154-Y166 HydrophobicContact CG-CD1 3.69Å; P154-Y166 HydrophobicContact CG-CE1 3.78Å; P154-K167 HydrophobicContact CB-CD 4.47Å; P154-K167 VanDerWaalsContact CB-CE 3.49Å; P154-K167 HydrophobicContact CB-CG 4.12Å; P154-K167 HydrophobicContact CG-CG 4.3Å; P154-K167 WeakPolarHBondContact O-CE 3.48Å; P154-K167 PolarHBondContact O-NZ 2.73Å
155	D	96.5	Very high	97.6	Very high	134 Å²	134	47.5 Å²	47.5	72%	0.717	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-20.7	175.4	-69	-36	0	0	0	113.3	E153 P157 K167	E153-D155 PolarHBondContact O-N 2.93Å; D155-P157 VanDerWaalsContact C-CD 3.45Å; D155-P157 WeakPolarHBondContact O-CD 3.48Å; D155-K167 WeakPolarHBondContact OD1-CE 3.33Å; D155-K167 IonicContact OD1-NZ 3.69Å; D155-K167 PolarHBondContact OD1-NZ 3.45Å
156	D	94.7	Very high	97.6	Very high	108 Å²	108	50.4 Å²	50.4	58%	0.578	30%	0.297	S	S	*	.	S	Bend	trans	-122.7	68.5	168.3	-174.9	32.8	0	0	0	111.2	N115 E153	N115-D156 PolarHBondContact ND2-O 2.87Å; E153-D156 CarbonylContact O-C 3.58Å; E153-D156 PolarHBondContact O-N 2.98Å
157	P	96.9	Very high	97.6	Very high	50 Å²	50	54.5 Å²	54.5	33%	0.325	31%	0.314	S	S	.	.			trans	-82.5	149.8	-168.4	34.8	-36.9	0	0	0	113.1	D155 A163	D155-P157 VanDerWaalsContact C-CD 3.45Å; D155-P157 WeakPolarHBondContact O-CD 3.48Å; P157-A163 HydrophobicContact CB-CB 3.4Å; P157-A163 HydrophobicContact CG-CB 3.98Å
158	Q	98	Very high	97.6	Very high	67 Å²	67	55.4 Å²	55.4	31%	0.313	32%	0.317	S	S	.	.	S	Bend	trans	-84.9	-31.8	164.7	-174	51.1	74.7	0	0	111.8	P114 N115 V122 C124	P114-Q158 PolarHBondContact O-N 2.77Å; N115-Q158 WeakPolarHBondContact O-CB 3.23Å; V122-Q158 WeakPolarHBondContact O-CG 3.49Å; C124-Q158 HydrophobicContact CB-CB 3.8Å; C124-Q158 HydrophobicContact CB-CG 4.43Å
159	D	98.1	Very high	97.5	Very high	19 Å²	19	57 Å²	57	10%	0.102	33%	0.329	C	S	.	.			trans	-125	103.1	-180	-165	-43.3	0	0	0	109.9	P114 S118 V161 V162 A163	P114-D159 PolarHBondContact O-N 3.09Å; S118-D159 VanDerWaalsContact CB-OD2 3.27Å; S118-D159 WeakPolarHBondContact CB-OD2 3.4Å; S118-D159 PolarHBondContact N-OD2 2.84Å; S118-D159 PolarHBondContact OG-OD2 3.45Å; D159-V161 VanDerWaalsContact C-N 3.27Å; D159-V161 PolarHBondContact O-N 3.2Å; D159-V161 PolarHBondContact OD1-N 3.45Å; D159-V161 VanDerWaalsContact OD1-N 3.14Å; D159-V162 HydrophobicContact CB-CB 4.05Å; D159-V162 HydrophobicContact CB-CG2 3.78Å; D159-V162 PolarHBondContact O-N 2.93Å; D159-V162 PolarHBondContact OD1-N 3.49Å; D159-A163 WeakPolarHBondContact O-CB 3.38Å; D159-A163 PolarHBondContact O-N 2.97Å
160	A	97.9	Very high	97.4	Very high	73 Å²	73	60.5 Å²	60.5	60%	0.603	35%	0.347	S	S	*	.	H	α-helix	trans	-63.9	-30.6	-175.6	0	0	0	0	0	113	N164	A160-N164 VanDerWaalsContact O-CB 3.29Å; A160-N164 WeakPolarHBondContact O-CB 3.48Å; A160-N164 PolarHBondContact O-N 2.93Å
161	V	97.7	Very high	97.3	Very high	57 Å²	57	63.8 Å²	63.8	35%	0.345	36%	0.358	S	S	.	.	H	α-helix	trans	-71.4	-46	179.2	177.2	0	0	0	0	109.8	W112 D159 N164 Q165 M217	W112-V161 HydrophobicContact CH2-CG1 4.43Å; D159-V161 VanDerWaalsContact C-N 3.27Å; D159-V161 PolarHBondContact O-N 3.2Å; D159-V161 PolarHBondContact OD1-N 3.45Å; D159-V161 VanDerWaalsContact OD1-N 3.14Å; V161-N164 PolarHBondContact O-N 2.84Å; V161-Q165 PolarHBondContact O-N 3.26Å; V161-M217 HydrophobicContact CG1-CB 4.05Å; V161-M217 HydrophobicContact CG1-CG 3.97Å; V161-M217 HydrophobicContact CG2-CE 4.5Å
162	V	98.5	Very high	97.2	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.2	-45	177	-174.8	0	0	0	0	110.7	W112 H113 P114 D159 N164 Q165 Y166 F173	W112-V162 HydrophobicContact CD2-CG1 4.27Å; W112-V162 HydrophobicContact CD2-CG2 3.69Å; W112-V162 HydrophobicContact CE3-CG2 3.78Å; W112-V162 HydrophobicContact CG-CG1 4.17Å; W112-V162 HydrophobicContact CG-CG2 4.35Å; W112-V162 HydrophobicContact CH2-CG2 3.83Å; W112-V162 HydrophobicContact CZ2-CB 4.43Å; W112-V162 HydrophobicContact CZ2-CG2 3.74Å; W112-V162 HydrophobicContact CZ3-CG2 3.85Å; H113-V162 VanDerWaalsContact C-CG1 3.41Å; P114-V162 HydrophobicContact CG-CG1 4.26Å; D159-V162 HydrophobicContact CB-CB 4.05Å; D159-V162 HydrophobicContact CB-CG2 3.78Å; D159-V162 PolarHBondContact O-N 2.93Å; D159-V162 PolarHBondContact OD1-N 3.49Å; V162-N164 VanDerWaalsContact C-N 3.34Å; V162-N164 PolarHBondContact O-N 3.37Å; V162-Q165 PolarHBondContact O-N 2.86Å; V162-Y166 WeakPolarHBondContact O-CB 3.5Å; V162-Y166 PolarHBondContact O-N 2.92Å; V162-F173 HydrophobicContact CG1-CD2 4.13Å; V162-F173 HydrophobicContact CG1-CE2 3.83Å
163	A	98.5	Very high	97.3	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.033	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-40.2	177.9	0	0	0	0	0	112.5	P114 P154 P157 D159 Y166 K167	P114-A163 HydrophobicContact CB-CB 4.05Å; P154-A163 HydrophobicContact CB-CB 4.34Å; P157-A163 HydrophobicContact CB-CB 3.4Å; P157-A163 HydrophobicContact CG-CB 3.98Å; D159-A163 WeakPolarHBondContact O-CB 3.38Å; D159-A163 PolarHBondContact O-N 2.97Å; A163-Y166 WeakPolarHBondContact O-CB 3.27Å; A163-Y166 PolarHBondContact O-N 3.37Å; A163-K167 WeakPolarHBondContact O-CG 3.48Å; A163-K167 PolarHBondContact O-N 2.92Å
164	N	98.1	Very high	97.3	Very high	106 Å²	106	57 Å²	57	57%	0.567	32%	0.321	S	S	*	.	H	α-helix	trans	-64.5	-41.3	174.9	-176.8	58.6	0	0	0	112	A160 V161 V162 K167 S168	A160-N164 VanDerWaalsContact O-CB 3.29Å; A160-N164 WeakPolarHBondContact O-CB 3.48Å; A160-N164 PolarHBondContact O-N 2.93Å; V161-N164 PolarHBondContact O-N 2.84Å; V162-N164 VanDerWaalsContact C-N 3.34Å; V162-N164 PolarHBondContact O-N 3.37Å; N164-K167 PolarHBondContact O-N 3.16Å; N164-S168 VanDerWaalsContact O-CB 3.3Å; N164-S168 WeakPolarHBondContact O-CB 3.28Å; N164-S168 PolarHBondContact O-N 2.91Å; N164-S168 PolarHBondContact O-OG 3.11Å
165	Q	98.1	Very high	97.2	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.019	33%	0.333	C	S	.	.	H	α-helix	trans	-62.9	-44.9	174.2	-174.6	178.4	77.1	0	0	111.3	V161 V162 K167 S168 S169 A172 F173 T176 S216 N219	V161-Q165 PolarHBondContact O-N 3.26Å; V162-Q165 PolarHBondContact O-N 2.86Å; Q165-K167 VanDerWaalsContact C-N 3.32Å; Q165-K167 PolarHBondContact O-N 3.41Å; Q165-S168 PolarHBondContact O-N 3.37Å; Q165-S168 PolarHBondContact O-OG 3.23Å; Q165-S169 CarbonylContact O-C 3.37Å; Q165-S169 PolarHBondContact O-N 3.46Å; Q165-S169 VanDerWaalsContact O-O 3.1Å; Q165-A172 HydrophobicContact CG-CB 4.24Å; Q165-F173 HydrophobicContact CG-CB 4.28Å; Q165-T176 PolarHBondContact OE1-OG1 3.22Å; Q165-S216 PolarHBondContact NE2-O 2.97Å; Q165-N219 PolarHBondContact NE2-OD1 2.96Å
166	Y	98.4	Very high	97.3	Very high	62 Å²	62	54.5 Å²	54.5	24%	0.243	30%	0.299	C	S	.	.	H	α-helix	trans	-54.7	-46.1	175.7	-174.5	-86.8	0	0	0	112.3	P114 P152 P154 V162 A163 I170 F173	P114-Y166 HydrophobicContact CG-CD2 3.96Å; P114-Y166 HydrophobicContact CG-CG 3.94Å; P152-Y166 HydrophobicContact CB-CE2 4.16Å; P152-Y166 HydrophobicContact CG-CE2 3.86Å; P154-Y166 HydrophobicContact CB-CD1 3.76Å; P154-Y166 HydrophobicContact CB-CE1 4.3Å; P154-Y166 HydrophobicContact CB-CG 4.43Å; P154-Y166 HydrophobicContact CG-CD1 3.69Å; P154-Y166 HydrophobicContact CG-CE1 3.78Å; V162-Y166 WeakPolarHBondContact O-CB 3.5Å; V162-Y166 PolarHBondContact O-N 2.92Å; A163-Y166 WeakPolarHBondContact O-CB 3.27Å; A163-Y166 PolarHBondContact O-N 3.37Å; Y166-I170 HydrophobicContact CD2-CD1 3.9Å; Y166-I170 HydrophobicContact CE2-CD1 3.58Å; Y166-I170 HydrophobicContact CG-CD1 4.5Å; Y166-F173 AromaticContact CD2-CD1 3.48Å; Y166-F173 HydrophobicContact CD2-CD1 3.48Å; Y166-F173 VanDerWaalsContact CD2-CD1 3.48Å; Y166-F173 AromaticContact CD2-CD2 3.94Å; Y166-F173 HydrophobicContact CD2-CD2 3.94Å; Y166-F173 AromaticContact CD2-CE1 3.5Å; Y166-F173 HydrophobicContact CD2-CE1 3.5Å; Y166-F173 AromaticContact CD2-CE2 3.96Å; Y166-F173 HydrophobicContact CD2-CE2 3.96Å; Y166-F173 AromaticContact CD2-CG 3.69Å; Y166-F173 HydrophobicContact CD2-CG 3.69Å; Y166-F173 AromaticContact CD2-CZ 3.73Å; Y166-F173 HydrophobicContact CD2-CZ 3.73Å; Y166-F173 AromaticContact CE2-CD1 3.95Å; Y166-F173 HydrophobicContact CE2-CD1 3.95Å; Y166-F173 AromaticContact CE2-CE1 3.73Å; Y166-F173 HydrophobicContact CE2-CE1 3.73Å; Y166-F173 HydrophobicContact CE2-CZ 4.19Å; Y166-F173 HydrophobicContact CG-CG 4.42Å
167	K	97.8	Very high	97.4	Very high	113 Å²	113	49.4 Å²	49.4	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-73.3	-37.6	-179.5	-68.1	-177.1	-167.5	-175.1	0	113.3	P154 D155 A163 N164 Q165	P154-K167 HydrophobicContact CB-CD 4.47Å; P154-K167 VanDerWaalsContact CB-CE 3.49Å; P154-K167 HydrophobicContact CB-CG 4.12Å; P154-K167 HydrophobicContact CG-CG 4.3Å; P154-K167 WeakPolarHBondContact O-CE 3.48Å; P154-K167 PolarHBondContact O-NZ 2.73Å; D155-K167 WeakPolarHBondContact OD1-CE 3.33Å; D155-K167 IonicContact OD1-NZ 3.69Å; D155-K167 PolarHBondContact OD1-NZ 3.45Å; A163-K167 WeakPolarHBondContact O-CG 3.48Å; A163-K167 PolarHBondContact O-N 2.92Å; N164-K167 PolarHBondContact O-N 3.16Å; Q165-K167 VanDerWaalsContact C-N 3.32Å; Q165-K167 PolarHBondContact O-N 3.41Å
168	S	97	Very high	97.4	Very high	77 Å²	77	52.3 Å²	52.3	54%	0.538	28%	0.276	S	S	.	.	H	α-helix	trans	-85.2	-31.1	-174.3	59.8	0	0	0	0	114	N164 Q165	N164-S168 VanDerWaalsContact O-CB 3.3Å; N164-S168 WeakPolarHBondContact O-CB 3.28Å; N164-S168 PolarHBondContact O-N 2.91Å; N164-S168 PolarHBondContact O-OG 3.11Å; Q165-S168 PolarHBondContact O-N 3.37Å; Q165-S168 PolarHBondContact O-OG 3.23Å
169	S	96.3	Very high	97.4	Very high	47 Å²	47	49.3 Å²	49.3	33%	0.329	26%	0.262	S	S	.	.			trans	-157	97.6	177.8	-178.4	0	0	0	0	110.9	Q165 D171 A172 F173	Q165-S169 CarbonylContact O-C 3.37Å; Q165-S169 PolarHBondContact O-N 3.46Å; Q165-S169 VanDerWaalsContact O-O 3.1Å; S169-D171 PolarHBondContact O-N 3.22Å; S169-A172 PolarHBondContact O-N 2.78Å; S169-A172 WeakPolarHBondContact OG-CB 3.47Å; S169-A172 PolarHBondContact OG-N 2.86Å; S169-F173 PolarHBondContact O-N 3.43Å
170	I	96.6	Very high	97.4	Very high	76 Å²	76	48.5 Å²	48.5	39%	0.39	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-32.4	176.7	-168.6	60.4	0	0	0	112.2	Y166 F173 N174	Y166-I170 HydrophobicContact CD2-CD1 3.9Å; Y166-I170 HydrophobicContact CE2-CD1 3.58Å; Y166-I170 HydrophobicContact CG-CD1 4.5Å; I170-F173 HydrophobicContact CD1-CD1 3.95Å; I170-F173 PolarHBondContact O-N 2.89Å; I170-N174 VanDerWaalsContact O-CB 3.29Å; I170-N174 WeakPolarHBondContact O-CB 3.27Å; I170-N174 PolarHBondContact O-N 2.89Å; I170-N174 PolarHBondContact O-ND2 2.81Å
171	D	95.7	Very high	97.4	Very high	119 Å²	119	45.2 Å²	45.2	64%	0.636	23%	0.23	S	C	*	.	H	α-helix	trans	-67.2	-44.3	176.3	-69.2	-40.9	0	0	0	112.1	S169 F173 N174 R175	S169-D171 PolarHBondContact O-N 3.22Å; D171-F173 VanDerWaalsContact C-N 3.34Å; D171-N174 PolarHBondContact O-N 3.32Å; D171-R175 WeakPolarHBondContact O-CB 3.4Å; D171-R175 PolarHBondContact O-N 2.83Å
172	A	95.9	Very high	97.3	Very high	18 Å²	18	43.2 Å²	43.2	15%	0.149	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-41.6	175.8	0	0	0	0	0	111	Q165 S169 T176	Q165-A172 HydrophobicContact CG-CB 4.24Å; S169-A172 PolarHBondContact O-N 2.78Å; S169-A172 WeakPolarHBondContact OG-CB 3.47Å; S169-A172 PolarHBondContact OG-N 2.86Å; A172-T176 WeakPolarHBondContact O-CB 3.32Å; A172-T176 PolarHBondContact O-N 2.05Å; A172-T176 PolarHBondContact O-OG1 2.76Å
173	F	97.9	Very high	97.1	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.013	24%	0.237	C	C	.	.	H	α-helix	trans	-59.4	-52.9	173.1	169.3	-96.9	0	0	0	111.7	P82 Y83 W112 P114 V162 Q165 Y166 S169 I170 D171 R175 T176 A177	P82-F173 HydrophobicContact CG-CE1 4.38Å; Y83-F173 WeakPolarHBondContact OH-CZ 3.4Å; W112-F173 AromaticContact CD1-CD2 3.95Å; P114-F173 HydrophobicContact CG-CE2 4.34Å; V162-F173 HydrophobicContact CG1-CD2 4.13Å; V162-F173 HydrophobicContact CG1-CE2 3.83Å; Q165-F173 HydrophobicContact CG-CB 4.28Å; Y166-F173 AromaticContact CD2-CD1 3.48Å; Y166-F173 HydrophobicContact CD2-CD1 3.48Å; Y166-F173 VanDerWaalsContact CD2-CD1 3.48Å; Y166-F173 AromaticContact CD2-CD2 3.94Å; Y166-F173 HydrophobicContact CD2-CD2 3.94Å; Y166-F173 AromaticContact CD2-CE1 3.5Å; Y166-F173 HydrophobicContact CD2-CE1 3.5Å; Y166-F173 AromaticContact CD2-CE2 3.96Å; Y166-F173 HydrophobicContact CD2-CE2 3.96Å; Y166-F173 AromaticContact CD2-CG 3.69Å; Y166-F173 HydrophobicContact CD2-CG 3.69Å; Y166-F173 AromaticContact CD2-CZ 3.73Å; Y166-F173 HydrophobicContact CD2-CZ 3.73Å; Y166-F173 AromaticContact CE2-CD1 3.95Å; Y166-F173 HydrophobicContact CE2-CD1 3.95Å; Y166-F173 AromaticContact CE2-CE1 3.73Å; Y166-F173 HydrophobicContact CE2-CE1 3.73Å; Y166-F173 HydrophobicContact CE2-CZ 4.19Å; Y166-F173 HydrophobicContact CG-CG 4.42Å; S169-F173 PolarHBondContact O-N 3.43Å; I170-F173 HydrophobicContact CD1-CD1 3.95Å; I170-F173 PolarHBondContact O-N 2.89Å; D171-F173 VanDerWaalsContact C-N 3.34Å; F173-R175 VanDerWaalsContact C-N 3.29Å; F173-R175 PolarHBondContact O-N 2.78Å; F173-T176 PolarHBondContact O-N 3.12Å; F173-T176 VanDerWaalsContact O-N 3.09Å; F173-A177 HydrophobicContact CE1-CB 4.38Å; F173-A177 HydrophobicContact CE2-CB 4.37Å; F173-A177 HydrophobicContact CZ-CB 4.18Å; F173-A177 WeakPolarHBondContact O-CB 3.49Å; F173-A177 PolarHBondContact O-N 3.16Å
174	N	96.9	Very high	97.1	Very high	44 Å²	44	48.9 Å²	48.9	24%	0.235	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-38.9	-178.2	-76.3	-21.1	0	0	0	112	P82 I170 D171 R178	P82-N174 HydrophobicContact CG-CB 4.17Å; P82-N174 WeakPolarHBondContact CG-OD1 3.34Å; I170-N174 VanDerWaalsContact O-CB 3.29Å; I170-N174 WeakPolarHBondContact O-CB 3.27Å; I170-N174 PolarHBondContact O-N 2.89Å; I170-N174 PolarHBondContact O-ND2 2.81Å; D171-N174 PolarHBondContact O-N 3.32Å; N174-R178 VanDerWaalsContact O-CB 3.23Å; N174-R178 WeakPolarHBondContact O-CB 3.38Å; N174-R178 PolarHBondContact O-N 3.41Å; N174-R178 VanDerWaalsContact O-N 3.07Å
175	R	96.1	Very high	97	Very high	98 Å²	98	43.9 Å²	43.9	37%	0.37	22%	0.22	S	C	.	.	H	α-helix	trans	-61.7	-49.9	173.2	-175.8	-177	-61.3	169.8	2.5	111.3	D171 F173 R178 H179 D191	D171-R175 WeakPolarHBondContact O-CB 3.4Å; D171-R175 PolarHBondContact O-N 2.83Å; F173-R175 VanDerWaalsContact C-N 3.29Å; F173-R175 PolarHBondContact O-N 2.78Å; R175-R178 PolarHBondContact O-N 3.06Å; R175-H179 WeakPolarHBondContact O-CB 3.35Å; R175-H179 PolarHBondContact O-N 3.01Å; R175-D191 WeakPolarHBondContact CD-OD2 3.35Å; R175-D191 HydrophobicContact CG-CB 3.97Å; R175-D191 WeakPolarHBondContact CG-OD2 3.32Å; R175-D191 IonicContact NE-OD2 2.63Å
176	T	97.5	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-48.4	-177.8	-53.1	0	0	0	0	111.4	W112 Q165 A172 F173 R178 H179 W180 S216 W220	W112-T176 HydrophobicContact CD2-CG2 3.83Å; W112-T176 HydrophobicContact CG-CG2 3.75Å; W112-T176 HydrophobicContact CZ2-CG2 4.33Å; Q165-T176 PolarHBondContact OE1-OG1 3.22Å; A172-T176 WeakPolarHBondContact O-CB 3.32Å; A172-T176 PolarHBondContact O-N 2.05Å; A172-T176 PolarHBondContact O-OG1 2.76Å; F173-T176 PolarHBondContact O-N 3.12Å; F173-T176 VanDerWaalsContact O-N 3.09Å; T176-R178 PolarHBondContact O-N 2.88Å; T176-H179 WeakPolarHBondContact O-CB 3.12Å; T176-H179 PolarHBondContact O-N 2.81Å; T176-W180 PolarHBondContact O-N 2.85Å; T176-S216 WeakPolarHBondContact CG2-OG 3.47Å; T176-W220 HydrophobicContact CG2-CZ2 4.14Å; T176-W220 PolarHBondContact OG1-NE1 3.15Å
177	A	97.9	Very high	96.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-42.4	178.6	0	0	0	0	0	112.6	P82 Y83 W112 F173 W180 A181	P82-A177 HydrophobicContact CB-CB 3.65Å; P82-A177 HydrophobicContact CG-CB 4.23Å; Y83-A177 HydrophobicContact CE1-CB 3.87Å; W112-A177 HydrophobicContact CB-CB 4.45Å; F173-A177 HydrophobicContact CE1-CB 4.38Å; F173-A177 HydrophobicContact CE2-CB 4.37Å; F173-A177 HydrophobicContact CZ-CB 4.18Å; F173-A177 WeakPolarHBondContact O-CB 3.49Å; F173-A177 PolarHBondContact O-N 3.16Å; A177-W180 PolarHBondContact O-N 2.89Å; A177-A181 WeakPolarHBondContact O-CB 3.26Å; A177-A181 PolarHBondContact O-N 3.32Å
178	R	97	Very high	95.9	Very high	112 Å²	112	46.7 Å²	46.7	42%	0.423	25%	0.253	S	S	.	.	H	α-helix	trans	-63.9	-42.2	174.2	-171.9	-178	-58.5	106	2.9	112	P82 N174 R175 T176 A181 G182	P82-R178 HydrophobicContact CB-CB 4.42Å; P82-R178 WeakPolarHBondContact O-CA 3.46Å; N174-R178 VanDerWaalsContact O-CB 3.23Å; N174-R178 WeakPolarHBondContact O-CB 3.38Å; N174-R178 PolarHBondContact O-N 3.41Å; N174-R178 VanDerWaalsContact O-N 3.07Å; R175-R178 PolarHBondContact O-N 3.06Å; T176-R178 PolarHBondContact O-N 2.88Å; R178-A181 PolarHBondContact O-N 3.49Å; R178-G182 PolarHBondContact O-N 2.91Å
179	H	97	Very high	94.9	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.019	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-46.5	176.4	-179.1	86	0	0	0	111.4	R175 T176 A181 G182 I183 C194 W220	R175-H179 WeakPolarHBondContact O-CB 3.35Å; R175-H179 PolarHBondContact O-N 3.01Å; T176-H179 WeakPolarHBondContact O-CB 3.12Å; T176-H179 PolarHBondContact O-N 2.81Å; H179-A181 VanDerWaalsContact C-N 3.35Å; H179-A181 PolarHBondContact O-N 3.26Å; H179-G182 PolarHBondContact O-N 2.83Å; H179-I183 WeakPolarHBondContact O-CG1 3.38Å; H179-I183 PolarHBondContact O-N 2.81Å; H179-C194 HydrophobicContact CB-CB 4.35Å; H179-C194 VanDerWaalsContact ND1-CB 3.3Å; H179-C194 WeakPolarHBondContact ND1-CB 3.39Å; H179-W220 AromaticContact CD2-CH2 3.6Å; H179-W220 AromaticContact NE2-CH2 3.79Å
180	W	98	Very high	94.4	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-42.1	175	-82.7	55.5	0	0	0	112.5	K110 W112 T176 A177 G182 I183 Y184 R213 S216	K110-W180 HydrophobicContact CB-CE3 4.21Å; K110-W180 HydrophobicContact CB-CZ3 4.05Å; W112-W180 HydrophobicContact CB-CB 4.09Å; W112-W180 HydrophobicContact CB-CD2 3.8Å; W112-W180 HydrophobicContact CB-CE3 4.11Å; W112-W180 HydrophobicContact CB-CG 3.78Å; W112-W180 HydrophobicContact CD2-CZ2 4.34Å; W112-W180 HydrophobicContact CE3-CD2 4.1Å; W112-W180 AromaticContact CE3-CE2 3.55Å; W112-W180 HydrophobicContact CE3-CE3 4.36Å; W112-W180 AromaticContact CE3-CH2 3.66Å; W112-W180 HydrophobicContact CE3-CH2 3.66Å; W112-W180 AromaticContact CE3-CZ2 3.32Å; W112-W180 HydrophobicContact CE3-CZ2 3.32Å; W112-W180 HydrophobicContact CE3-CZ3 4.15Å; W112-W180 HydrophobicContact CG-CD2 4.49Å; W112-W180 AromaticContact CZ3-CH2 3.98Å; W112-W180 HydrophobicContact CZ3-CH2 3.98Å; W112-W180 AromaticContact CZ3-CZ2 3.61Å; W112-W180 HydrophobicContact CZ3-CZ2 3.61Å; T176-W180 PolarHBondContact O-N 2.85Å; A177-W180 PolarHBondContact O-N 2.89Å; W180-G182 VanDerWaalsContact C-N 3.32Å; W180-G182 PolarHBondContact O-N 2.84Å; W180-I183 WeakPolarHBondContact O-CG1 3.48Å; W180-I183 PolarHBondContact O-N 2.89Å; W180-Y184 HydrophobicContact CB-CD2 4.25Å; W180-Y184 HydrophobicContact CB-CE2 4.49Å; W180-Y184 HydrophobicContact CD2-CD2 4.17Å; W180-Y184 AromaticContact CD2-CE2 3.76Å; W180-Y184 HydrophobicContact CD2-CE2 3.76Å; W180-Y184 AromaticContact CE3-CD2 3.86Å; W180-Y184 HydrophobicContact CE3-CD2 3.86Å; W180-Y184 AromaticContact CE3-CE2 3.63Å; W180-Y184 HydrophobicContact CE3-CE2 3.63Å; W180-Y184 HydrophobicContact CG-CD2 4.37Å; W180-Y184 HydrophobicContact CG-CE2 4.15Å; W180-Y184 HydrophobicContact CZ3-CE2 4.14Å; W180-Y184 WeakPolarHBondContact O-CB 3.17Å; W180-Y184 WeakPolarHBondContact O-CD2 3.49Å; W180-Y184 PolarHBondContact O-N 2.97Å; W180-R213 HydrophobicContact CZ2-CB 4.48Å; W180-S216 PolarHBondContact NE1-OG 3.29Å
181	A	97.6	Very high	94.1	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.033	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-39.8	175.5	0	0	0	0	0	112	A86 A177 R178 H179 A185 N186 G187	A86-A181 HydrophobicContact CB-CB 3.98Å; A177-A181 WeakPolarHBondContact O-CB 3.26Å; A177-A181 PolarHBondContact O-N 3.32Å; R178-A181 PolarHBondContact O-N 3.49Å; H179-A181 VanDerWaalsContact C-N 3.35Å; H179-A181 PolarHBondContact O-N 3.26Å; A181-A185 CarbonylContact O-C 3.6Å; A181-A185 VanDerWaalsContact O-C 3.31Å; A181-A185 WeakPolarHBondContact O-CA 3.08Å; A181-A185 WeakPolarHBondContact O-CB 3.44Å; A181-A185 PolarHBondContact O-N 2.99Å; A181-N186 PolarHBondContact O-N 2.91Å; A181-G187 PolarHBondContact O-N 2.92Å
182	G	96.4	Very high	93.9	Very high	16 Å²	16	41.5 Å²	41.5	17%	0.165	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-47.1	175.1	0	0	0	0	0	113.1	R178 H179 W180	R178-G182 PolarHBondContact O-N 2.91Å; H179-G182 PolarHBondContact O-N 2.83Å; W180-G182 VanDerWaalsContact C-N 3.32Å; W180-G182 PolarHBondContact O-N 2.84Å
183	I	95.3	Very high	93.8	Very high	61 Å²	61	45.1 Å²	45.1	31%	0.313	25%	0.247	S	C	.	.	H	α-helix	trans	-78.2	-38	-175.6	62.9	-173.5	0	0	0	113.8	H179 W180 C190 C212	H179-I183 WeakPolarHBondContact O-CG1 3.38Å; H179-I183 PolarHBondContact O-N 2.81Å; W180-I183 WeakPolarHBondContact O-CG1 3.48Å; W180-I183 PolarHBondContact O-N 2.89Å; I183-C190 WeakPolarHBondContact CG2-SG 3.48Å; I183-C212 VanDerWaalsContact CD1-SG 3.5Å
184	Y	97	Very high	93.7	Very high	62 Å²	62	45 Å²	45	24%	0.243	25%	0.246	C	C	.	.	H	α-helix	trans	-104.6	-21.7	-171.8	-58.7	-54.7	0	0	0	114.1	T109 K110 W180 H209	T109-Y184 VanDerWaalsContact CG2-O 3.27Å; T109-Y184 WeakPolarHBondContact CG2-O 3.49Å; K110-Y184 HydrophobicContact CB-CD1 4.22Å; K110-Y184 HydrophobicContact CB-CD2 3.51Å; K110-Y184 HydrophobicContact CB-CE2 3.92Å; K110-Y184 HydrophobicContact CB-CG 3.71Å; K110-Y184 HydrophobicContact CD-CD1 4.04Å; K110-Y184 HydrophobicContact CD-CD2 4.41Å; K110-Y184 HydrophobicContact CD-CE1 3.8Å; K110-Y184 HydrophobicContact CD-CE2 4.19Å; K110-Y184 HydrophobicContact CD-CG 4.36Å; W180-Y184 HydrophobicContact CB-CD2 4.25Å; W180-Y184 HydrophobicContact CB-CE2 4.49Å; W180-Y184 HydrophobicContact CD2-CD2 4.17Å; W180-Y184 AromaticContact CD2-CE2 3.76Å; W180-Y184 HydrophobicContact CD2-CE2 3.76Å; W180-Y184 AromaticContact CE3-CD2 3.86Å; W180-Y184 HydrophobicContact CE3-CD2 3.86Å; W180-Y184 AromaticContact CE3-CE2 3.63Å; W180-Y184 HydrophobicContact CE3-CE2 3.63Å; W180-Y184 HydrophobicContact CG-CD2 4.37Å; W180-Y184 HydrophobicContact CG-CE2 4.15Å; W180-Y184 HydrophobicContact CZ3-CE2 4.14Å; W180-Y184 WeakPolarHBondContact O-CB 3.17Å; W180-Y184 WeakPolarHBondContact O-CD2 3.49Å; W180-Y184 PolarHBondContact O-N 2.97Å; Y184-H209 AromaticContact CZ-ND1 3.52Å; Y184-H209 PolarHBondContact OH-ND1 2.65Å
185	A	97.4	Very high	93.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-128.8	20.4	-163.9	0	0	0	0	0	113.4	A86 E87 F88 T109 A181 G187	A86-A185 CarbonylContact C-O 3.59Å; A86-A185 VanDerWaalsContact CA-O 3.26Å; A86-A185 WeakPolarHBondContact CA-O 3.34Å; A86-A185 HydrophobicContact CB-CB 3.76Å; E87-A185 PolarHBondContact N-O 3.28Å; E87-A185 WeakPolarHBondContact O-CB 3.38Å; F88-A185 HydrophobicContact CD1-CB 3.91Å; F88-A185 HydrophobicContact CE1-CB 3.61Å; F88-A185 HydrophobicContact CZ-CB 4.05Å; T109-A185 HydrophobicContact CG2-CB 3.59Å; A181-A185 CarbonylContact O-C 3.6Å; A181-A185 VanDerWaalsContact O-C 3.31Å; A181-A185 WeakPolarHBondContact O-CA 3.08Å; A181-A185 WeakPolarHBondContact O-CB 3.44Å; A181-A185 PolarHBondContact O-N 2.99Å; A185-G187 PolarHBondContact O-N 3.46Å; A185-G187 VanDerWaalsContact O-N 3.09Å
186	N	94.2	Very high	93.7	Very high	109 Å²	109	44 Å²	44	58%	0.583	25%	0.25	S	C	*	.			trans	55.5	25.5	-178.5	-53.5	-47.6	0	0	0	114.1	A181	A181-N186 PolarHBondContact O-N 2.91Å
187	G	92.8	Very high	93.7	Very high	11 Å²	11	44.5 Å²	44.5	11%	0.113	25%	0.252	C	S	.	.			trans	-62.8	160.8	177.1	0	0	0	0	0	112.4	A181 A185 G189	A181-G187 PolarHBondContact O-N 2.92Å; A185-G187 PolarHBondContact O-N 3.46Å; A185-G187 VanDerWaalsContact O-N 3.09Å; G187-G189 PolarHBondContact O-N 2.82Å
188	P	83.5	Confident	93.7	Very high	118 Å²	118	44.8 Å²	44.8	77%	0.766	25%	0.254	S	S	*	.	S	Bend	trans	-68.1	-3.3	-168.2	26.7	-35.4	0	0	0	115.5	T84	T84-P188 WeakPolarHBondContact O-CD 3.49Å; T84-P188 WeakPolarHBondContact O-CG 3.41Å
189	G	76	Confident	93.8	Very high	33 Å²	33	41.7 Å²	41.7	34%	0.34	25%	0.246	S	C	.	.			trans	166.2	149.4	168.3	0	0	0	0	0	115.1	G187	G187-G189 PolarHBondContact O-N 2.82Å
190	C	86.2	Confident	93.8	Very high	46 Å²	46	46.2 Å²	46.2	31%	0.311	27%	0.265	S	S	.	.			trans	-83.6	147	171.4	-56	0	0	0	0	110.5	I183 P192 V195	I183-C190 WeakPolarHBondContact CG2-SG 3.48Å; C190-P192 WeakPolarHBondContact O-CD 3.19Å; C190-V195 HydrophobicContact CB-CG2 3.7Å
191	D	89.3	Confident	93.8	Very high	36 Å²	36	46.2 Å²	46.2	19%	0.193	27%	0.265	C	S	.	.			trans	-67.2	123.4	170.4	-177.4	-68.5	0	0	0	110.2	R175 H193 C194 V195	R175-D191 WeakPolarHBondContact CD-OD2 3.35Å; R175-D191 HydrophobicContact CG-CB 3.97Å; R175-D191 WeakPolarHBondContact CG-OD2 3.32Å; R175-D191 IonicContact NE-OD2 2.63Å; D191-H193 VanDerWaalsContact C-N 3.3Å; D191-H193 PolarHBondContact O-N 3.08Å; D191-H193 WeakPolarHBondContact OD1-CA 3.47Å; D191-H193 VanDerWaalsContact OD1-CB 3.27Å; D191-H193 WeakPolarHBondContact OD1-CB 3.42Å; D191-H193 PolarHBondContact OD1-N 3.42Å; D191-C194 HydrophobicContact CB-CB 3.96Å; D191-C194 WeakPolarHBondContact O-CB 3.13Å; D191-C194 PolarHBondContact O-N 3.11Å; D191-C194 PolarHBondContact OD1-N 3.31Å; D191-C194 VanDerWaalsContact OD1-N 3.12Å; D191-V195 WeakPolarHBondContact O-CG2 3.41Å; D191-V195 PolarHBondContact O-N 3.3Å
192	P	92.5	Very high	93.9	Very high	95 Å²	95	48.8 Å²	48.8	62%	0.617	28%	0.28	S	S	*	.	H	α-helix	trans	-60.9	-35.8	-176.7	-26.1	35.2	0	0	0	114	C190 C194 V195 D196	C190-P192 WeakPolarHBondContact O-CD 3.19Å; P192-C194 VanDerWaalsContact C-N 3.34Å; P192-V195 PolarHBondContact O-N 3.05Å; P192-D196 PolarHBondContact O-N 3.34Å
193	H	93.4	Very high	93.9	Very high	95 Å²	95	55.6 Å²	55.6	44%	0.44	31%	0.308	S	S	.	.	H	α-helix	trans	-67.1	-40.1	178.1	173.9	67	0	0	0	110.9	D191 D196 L197	D191-H193 VanDerWaalsContact C-N 3.3Å; D191-H193 PolarHBondContact O-N 3.08Å; D191-H193 WeakPolarHBondContact OD1-CA 3.47Å; D191-H193 VanDerWaalsContact OD1-CB 3.27Å; D191-H193 WeakPolarHBondContact OD1-CB 3.42Å; D191-H193 PolarHBondContact OD1-N 3.42Å; H193-D196 PolarHBondContact O-N 2.92Å; H193-L197 WeakPolarHBondContact O-CG 3.32Å; H193-L197 PolarHBondContact O-N 3.18Å
194	C	96.2	Very high	94	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.2	-46	172.1	-68	0	0	0	0	112	H179 D191 P192 D196 L197 V198 W220	H179-C194 HydrophobicContact CB-CB 4.35Å; H179-C194 VanDerWaalsContact ND1-CB 3.3Å; H179-C194 WeakPolarHBondContact ND1-CB 3.39Å; D191-C194 HydrophobicContact CB-CB 3.96Å; D191-C194 WeakPolarHBondContact O-CB 3.13Å; D191-C194 PolarHBondContact O-N 3.11Å; D191-C194 PolarHBondContact OD1-N 3.31Å; D191-C194 VanDerWaalsContact OD1-N 3.12Å; P192-C194 VanDerWaalsContact C-N 3.34Å; C194-D196 PolarHBondContact O-N 2.83Å; C194-L197 PolarHBondContact O-N 3.06Å; C194-V198 WeakPolarHBondContact O-CG2 3.34Å; C194-V198 PolarHBondContact O-N 2.9Å; C194-W220 HydrophobicContact CB-CD2 4.26Å; C194-W220 HydrophobicContact CB-CE3 3.83Å; C194-W220 HydrophobicContact CB-CH2 3.44Å; C194-W220 VanDerWaalsContact CB-CH2 3.44Å; C194-W220 HydrophobicContact CB-CZ2 3.87Å; C194-W220 HydrophobicContact CB-CZ3 3.41Å; C194-W220 VanDerWaalsContact CB-CZ3 3.41Å; C194-W220 WeakPolarHBondContact O-CZ3 3.33Å; C194-W220 VanDerWaalsContact SG-CD2 3.51Å; C194-W220 WeakPolarHBondContact SG-CZ2 3.48Å
195	V	95.9	Very high	94	Very high	40 Å²	40	58.1 Å²	58.1	24%	0.242	34%	0.34	C	S	.	.	H	α-helix	trans	-58.2	-47.6	177.3	173.5	0	0	0	0	111	C190 D191 P192 L197 V198 D199	C190-V195 HydrophobicContact CB-CG2 3.7Å; D191-V195 WeakPolarHBondContact O-CG2 3.41Å; D191-V195 PolarHBondContact O-N 3.3Å; P192-V195 PolarHBondContact O-N 3.05Å; V195-L197 VanDerWaalsContact C-N 3.26Å; V195-L197 PolarHBondContact O-N 3.17Å; V195-V198 PolarHBondContact O-N 2.85Å; V195-D199 WeakPolarHBondContact O-CB 3.46Å; V195-D199 PolarHBondContact O-N 2.98Å
196	D	97.2	Very high	94	Very high	82 Å²	82	60.3 Å²	60.3	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-33.5	-179.6	-72	-13.8	0	0	0	112.9	P192 H193 C194 K200	P192-D196 PolarHBondContact O-N 3.34Å; H193-D196 PolarHBondContact O-N 2.92Å; C194-D196 PolarHBondContact O-N 2.83Å; D196-K200 WeakPolarHBondContact O-CG 3.42Å; D196-K200 PolarHBondContact O-N 3.5Å
197	L	97.9	Very high	94.2	Very high	10 Å²	10	60 Å²	60	5%	0.052	35%	0.348	C	S	.	.	H	α-helix	trans	-74	-39.9	176.4	-68.6	177.2	0	0	0	112.2	H193 C194 V195 K200 L201 L215 W220 L222	H193-L197 WeakPolarHBondContact O-CG 3.32Å; H193-L197 PolarHBondContact O-N 3.18Å; C194-L197 PolarHBondContact O-N 3.06Å; V195-L197 VanDerWaalsContact C-N 3.26Å; V195-L197 PolarHBondContact O-N 3.17Å; L197-K200 HydrophobicContact CD2-CD 4.35Å; L197-K200 PolarHBondContact O-N 2.93Å; L197-L201 PolarHBondContact O-N 3.36Å; L197-L215 VanDerWaalsContact C-CD1 3.49Å; L197-L215 HydrophobicContact CB-CD1 3.75Å; L197-L215 HydrophobicContact CB-CD2 4.09Å; L197-L215 HydrophobicContact CD1-CD2 4.43Å; L197-W220 HydrophobicContact CB-CE3 4.41Å; L197-W220 HydrophobicContact CD1-CB 3.91Å; L197-W220 HydrophobicContact CD1-CE3 4.12Å; L197-W220 VanDerWaalsContact CD1-O 3.29Å; L197-W220 WeakPolarHBondContact CD1-O 3.1Å; L197-L222 HydrophobicContact CD2-CB 4.21Å; L197-L222 HydrophobicContact CD2-CD2 4.38Å
198	V	97.7	Very high	94.3	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.03	37%	0.368	C	S	.	.	H	α-helix	trans	-61.3	-47.9	173.4	175.3	0	0	0	0	109.8	C194 V195 K200 L201 V202 E208 A211 C212 L215 W220	C194-V198 WeakPolarHBondContact O-CG2 3.34Å; C194-V198 PolarHBondContact O-N 2.9Å; V195-V198 PolarHBondContact O-N 2.85Å; V198-K200 PolarHBondContact O-N 3.31Å; V198-L201 PolarHBondContact O-N 3.06Å; V198-V202 HydrophobicContact CG1-CG2 4.09Å; V198-V202 WeakPolarHBondContact O-CG2 3.47Å; V198-V202 PolarHBondContact O-N 2.86Å; V198-E208 HydrophobicContact CG1-CG 3.91Å; V198-A211 HydrophobicContact CG1-CB 4.25Å; V198-C212 HydrophobicContact CG2-CB 4.01Å; V198-L215 HydrophobicContact CB-CD1 4.4Å; V198-L215 HydrophobicContact CG2-CD1 3.77Å; V198-W220 HydrophobicContact CG2-CH2 4.45Å; V198-W220 HydrophobicContact CG2-CZ3 4Å
199	D	97.6	Very high	94.9	Very high	48 Å²	48	60.8 Å²	60.8	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-54.1	-39.3	178	-83.1	-2	0	0	0	111.7	R10 V195 V202 Q203	R10-D199 IonicContact NH2-OD2 2.93Å; R10-D199 PolarHBondContact NH2-OD2 3.32Å; V195-D199 WeakPolarHBondContact O-CB 3.46Å; V195-D199 PolarHBondContact O-N 2.98Å; D199-V202 PolarHBondContact O-N 3.39Å; D199-Q203 WeakPolarHBondContact O-CB 3.41Å; D199-Q203 WeakPolarHBondContact O-CG 3.33Å; D199-Q203 PolarHBondContact O-N 2.99Å
200	K	98.3	Very high	95.9	Very high	99 Å²	99	63 Å²	63	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-43.4	176.9	-74.3	169.6	-171.9	173.9	0	112.7	D196 L197 V198 Q203 M204 L222	D196-K200 WeakPolarHBondContact O-CG 3.42Å; D196-K200 PolarHBondContact O-N 3.5Å; L197-K200 HydrophobicContact CD2-CD 4.35Å; L197-K200 PolarHBondContact O-N 2.93Å; V198-K200 PolarHBondContact O-N 3.31Å; K200-Q203 PolarHBondContact O-N 3.43Å; K200-M204 WeakPolarHBondContact O-CG 3.33Å; K200-M204 PolarHBondContact O-N 3.47Å; K200-L222 HydrophobicContact CB-CD1 4.33Å; K200-L222 HydrophobicContact CB-CD2 4.42Å; K200-L222 HydrophobicContact CD-CD2 3.76Å
201	L	98.2	Very high	96.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-70.2	-37.8	177.7	-69.1	179.7	0	0	0	111.6	L197 V198 Q203 M204 G205 F206 A211 L215 L222 A225 T226 L229	L197-L201 PolarHBondContact O-N 3.36Å; V198-L201 PolarHBondContact O-N 3.06Å; L201-Q203 VanDerWaalsContact C-N 3.32Å; L201-Q203 PolarHBondContact O-N 2.77Å; L201-M204 HydrophobicContact CD2-SD 4.17Å; L201-M204 WeakPolarHBondContact O-CA 3.08Å; L201-M204 WeakPolarHBondContact O-CB 3.49Å; L201-M204 PolarHBondContact O-N 2.72Å; L201-G205 PolarHBondContact O-N 3.29Å; L201-F206 HydrophobicContact CB-CD2 4.08Å; L201-F206 HydrophobicContact CD2-CD2 4.05Å; L201-F206 HydrophobicContact CD2-CE2 4.21Å; L201-F206 VanDerWaalsContact O-CD2 3.32Å; L201-F206 WeakPolarHBondContact O-CD2 3.28Å; L201-F206 PolarHBondContact O-N 2.87Å; L201-A211 HydrophobicContact CB-CB 3.64Å; L201-A211 HydrophobicContact CD1-CB 3.95Å; L201-A211 HydrophobicContact CG-CB 4.46Å; L201-L215 HydrophobicContact CD1-CD1 3.64Å; L201-L215 HydrophobicContact CD1-CD2 4.11Å; L201-L215 HydrophobicContact CD1-CG 3.6Å; L201-L215 HydrophobicContact CG-CD1 4.44Å; L201-L222 HydrophobicContact CD1-CD1 4.32Å; L201-L222 HydrophobicContact CD2-CD1 3.65Å; L201-L222 HydrophobicContact CG-CD1 3.7Å; L201-A225 HydrophobicContact CD1-CB 4.22Å; L201-T226 VanDerWaalsContact CD2-OG1 3.3Å; L201-T226 WeakPolarHBondContact CD2-OG1 3.37Å; L201-L229 HydrophobicContact CD1-CD1 3.77Å; L201-L229 HydrophobicContact CD2-CD1 4.27Å; L201-L229 HydrophobicContact CG-CD1 4.47Å
202	V	98.1	Very high	96.8	Very high	58 Å²	58	59.2 Å²	59.2	35%	0.352	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-40.6	174.1	173.2	0	0	0	0	110.9	V198 D199 M204 G205 E208 A211	V198-V202 HydrophobicContact CG1-CG2 4.09Å; V198-V202 WeakPolarHBondContact O-CG2 3.47Å; V198-V202 PolarHBondContact O-N 2.86Å; D199-V202 PolarHBondContact O-N 3.39Å; V202-M204 PolarHBondContact O-N 2.94Å; V202-G205 WeakPolarHBondContact O-CA 3.34Å; V202-G205 PolarHBondContact O-N 2.77Å; V202-E208 HydrophobicContact CG2-CB 3.97Å; V202-E208 HydrophobicContact CG2-CG 4.23Å; V202-A211 HydrophobicContact CG2-CB 4.45Å
203	Q	97.6	Very high	97	Very high	159 Å²	159	57.6 Å²	57.6	74%	0.743	30%	0.298	S	S	*	.	H	α-helix	trans	-63.2	-24.2	173.3	-74.8	169.3	20.9	0	0	113.4	D199 K200 L201 G205	D199-Q203 WeakPolarHBondContact O-CB 3.41Å; D199-Q203 WeakPolarHBondContact O-CG 3.33Å; D199-Q203 PolarHBondContact O-N 2.99Å; K200-Q203 PolarHBondContact O-N 3.43Å; L201-Q203 VanDerWaalsContact C-N 3.32Å; L201-Q203 PolarHBondContact O-N 2.77Å; Q203-G205 VanDerWaalsContact C-N 3.26Å
204	M	97	Very high	97.2	Very high	109 Å²	109	53.1 Å²	53.1	54%	0.537	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-3.5	172	-65.1	171.5	66.2	0	0	113.2	K200 L201 V202 F206 T226	K200-M204 WeakPolarHBondContact O-CG 3.33Å; K200-M204 PolarHBondContact O-N 3.47Å; L201-M204 HydrophobicContact CD2-SD 4.17Å; L201-M204 WeakPolarHBondContact O-CA 3.08Å; L201-M204 WeakPolarHBondContact O-CB 3.49Å; L201-M204 PolarHBondContact O-N 2.72Å; V202-M204 PolarHBondContact O-N 2.94Å; M204-F206 HydrophobicContact CB-CD2 4.02Å; M204-F206 HydrophobicContact CB-CE2 3.98Å; M204-F206 HydrophobicContact CE-CE2 4.16Å; M204-T226 HydrophobicContact CE-CG2 3.69Å
205	G	97.4	Very high	97.3	Very high	67 Å²	67	53.1 Å²	53.1	69%	0.691	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.9	7.7	176.3	0	0	0	0	0	115	L201 V202 Q203	L201-G205 PolarHBondContact O-N 3.29Å; V202-G205 WeakPolarHBondContact O-CA 3.34Å; V202-G205 PolarHBondContact O-N 2.77Å; Q203-G205 VanDerWaalsContact C-N 3.26Å
206	F	97.7	Very high	97.4	Very high	47 Å²	47	51.2 Å²	51.2	21%	0.206	27%	0.266	C	S	.	.			trans	-78.3	149.3	174.6	-60.1	-65.8	0	0	0	111.6	L201 M204 L229 I230	L201-F206 HydrophobicContact CB-CD2 4.08Å; L201-F206 HydrophobicContact CD2-CD2 4.05Å; L201-F206 HydrophobicContact CD2-CE2 4.21Å; L201-F206 VanDerWaalsContact O-CD2 3.32Å; L201-F206 WeakPolarHBondContact O-CD2 3.28Å; L201-F206 PolarHBondContact O-N 2.87Å; M204-F206 HydrophobicContact CB-CD2 4.02Å; M204-F206 HydrophobicContact CB-CE2 3.98Å; M204-F206 HydrophobicContact CE-CE2 4.16Å; F206-L229 HydrophobicContact CB-CD1 4.24Å; F206-L229 HydrophobicContact CD1-CB 3.86Å; F206-L229 HydrophobicContact CD1-CD1 4.15Å; F206-L229 HydrophobicContact CD1-CG 4.43Å; F206-L229 HydrophobicContact CD2-CD1 3.89Å; F206-L229 HydrophobicContact CE1-CB 3.59Å; F206-L229 HydrophobicContact CE2-CB 4.35Å; F206-L229 HydrophobicContact CE2-CD1 4.26Å; F206-L229 HydrophobicContact CG-CB 4.36Å; F206-L229 HydrophobicContact CG-CD1 3.83Å; F206-L229 HydrophobicContact CZ-CB 3.86Å; F206-I230 HydrophobicContact CE1-CG1 4.44Å; F206-I230 HydrophobicContact CZ-CG1 3.86Å
207	D	97.4	Very high	97.4	Very high	101 Å²	101	49.1 Å²	49.1	54%	0.54	25%	0.254	S	S	.	.			trans	-60.8	141.7	170.9	173.5	85.1	0	0	0	110.9	H209 E210 A211	D207-H209 PolarHBondContact O-N 3.48Å; D207-H209 WeakPolarHBondContact OD2-CA 3.4Å; D207-H209 VanDerWaalsContact OD2-CB 3.24Å; D207-H209 WeakPolarHBondContact OD2-CB 3.48Å; D207-H209 PolarHBondContact OD2-N 3.14Å; D207-E210 HydrophobicContact CB-CB 4.26Å; D207-E210 HydrophobicContact CB-CG 4.3Å; D207-E210 PolarHBondContact O-N 3.07Å; D207-E210 PolarHBondContact OD2-N 3.38Å; D207-A211 VanDerWaalsContact O-CB 3.25Å; D207-A211 WeakPolarHBondContact O-CB 3.45Å; D207-A211 PolarHBondContact O-N 3.09Å
208	E	96.1	Very high	97.3	Very high	114 Å²	114	51.7 Å²	51.7	53%	0.533	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-40.4	-175.6	-174.2	179.3	-175.6	0	0	112.6	V198 V202 C212	V198-E208 HydrophobicContact CG1-CG 3.91Å; V202-E208 HydrophobicContact CG2-CB 3.97Å; V202-E208 HydrophobicContact CG2-CG 4.23Å; E208-C212 WeakPolarHBondContact O-CB 3.46Å; E208-C212 PolarHBondContact O-N 2.86Å
209	H	95.5	Very high	97.2	Very high	33 Å²	33	55.7 Å²	55.7	15%	0.153	29%	0.286	C	S	.	.	H	α-helix	trans	-67.7	-46.3	178.2	178.9	54.7	0	0	0	110.9	K110 Y184 D207 A211 C212 R213	K110-H209 WeakPolarHBondContact CD-CE1 3.5Å; K110-H209 VanDerWaalsContact CE-CE1 3.43Å; K110-H209 WeakPolarHBondContact CE-CE1 3.18Å; K110-H209 WeakPolarHBondContact CE-NE2 3.47Å; K110-H209 PolarHBondContact NZ-CE1 3.44Å; K110-H209 VanDerWaalsContact NZ-CE1 3.32Å; K110-H209 PolarHBondContact NZ-NE2 3.2Å; Y184-H209 AromaticContact CZ-ND1 3.52Å; Y184-H209 PolarHBondContact OH-ND1 2.65Å; D207-H209 PolarHBondContact O-N 3.48Å; D207-H209 WeakPolarHBondContact OD2-CA 3.4Å; D207-H209 VanDerWaalsContact OD2-CB 3.24Å; D207-H209 WeakPolarHBondContact OD2-CB 3.48Å; D207-H209 PolarHBondContact OD2-N 3.14Å; H209-A211 VanDerWaalsContact C-N 3.34Å; H209-A211 PolarHBondContact O-N 3.14Å; H209-C212 PolarHBondContact O-N 2.86Å; H209-R213 VanDerWaalsContact O-CB 3.27Å; H209-R213 WeakPolarHBondContact O-CB 3.46Å; H209-R213 PolarHBondContact O-N 3.13Å
210	E	96.8	Very high	97.1	Very high	78 Å²	78	54.2 Å²	54.2	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-37.5	178	-66.3	-53.5	135.8	0	0	112	D207 R213 A214 L229	D207-E210 HydrophobicContact CB-CB 4.26Å; D207-E210 HydrophobicContact CB-CG 4.3Å; D207-E210 PolarHBondContact O-N 3.07Å; D207-E210 PolarHBondContact OD2-N 3.38Å; E210-R213 PolarHBondContact O-N 2.66Å; E210-R213 IonicContact OE2-NH1 2.83Å; E210-A214 VanDerWaalsContact O-CB 3.27Å; E210-A214 WeakPolarHBondContact O-CB 3.35Å; E210-A214 PolarHBondContact O-N 3.02Å; E210-L229 HydrophobicContact CB-CD2 4.05Å
211	A	97.7	Very high	97.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-51.5	173.2	0	0	0	0	0	112.1	V198 L201 V202 D207 H209 R213 A214 L215	V198-A211 HydrophobicContact CG1-CB 4.25Å; L201-A211 HydrophobicContact CB-CB 3.64Å; L201-A211 HydrophobicContact CD1-CB 3.95Å; L201-A211 HydrophobicContact CG-CB 4.46Å; V202-A211 HydrophobicContact CG2-CB 4.45Å; D207-A211 VanDerWaalsContact O-CB 3.25Å; D207-A211 WeakPolarHBondContact O-CB 3.45Å; D207-A211 PolarHBondContact O-N 3.09Å; H209-A211 VanDerWaalsContact C-N 3.34Å; H209-A211 PolarHBondContact O-N 3.14Å; A211-R213 VanDerWaalsContact C-N 3.32Å; A211-R213 PolarHBondContact O-N 2.88Å; A211-A214 PolarHBondContact O-N 3.48Å; A211-L215 WeakPolarHBondContact O-CB 3.34Å; A211-L215 WeakPolarHBondContact O-CG 3.32Å; A211-L215 PolarHBondContact O-N 3.17Å
212	C	97.2	Very high	97.1	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.02	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-44.5	176.9	-177.4	0	0	0	0	111.3	I183 V198 E208 H209 S216	I183-C212 VanDerWaalsContact CD1-SG 3.5Å; V198-C212 HydrophobicContact CG2-CB 4.01Å; E208-C212 WeakPolarHBondContact O-CB 3.46Å; E208-C212 PolarHBondContact O-N 2.86Å; H209-C212 PolarHBondContact O-N 2.86Å; C212-S216 VanDerWaalsContact O-CB 3.27Å; C212-S216 WeakPolarHBondContact O-CB 3.5Å; C212-S216 PolarHBondContact O-N 2.87Å; C212-S216 PolarHBondContact O-OG 3.5Å
213	R	97	Very high	97	Very high	61 Å²	61	55.9 Å²	55.9	23%	0.23	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-48	178.9	-177.5	173.2	172.4	-92.7	-8.7	112	W180 H209 E210 A211 S216 M217	W180-R213 HydrophobicContact CZ2-CB 4.48Å; H209-R213 VanDerWaalsContact O-CB 3.27Å; H209-R213 WeakPolarHBondContact O-CB 3.46Å; H209-R213 PolarHBondContact O-N 3.13Å; E210-R213 PolarHBondContact O-N 2.66Å; E210-R213 IonicContact OE2-NH1 2.83Å; A211-R213 VanDerWaalsContact C-N 3.32Å; A211-R213 PolarHBondContact O-N 2.88Å; R213-S216 WeakPolarHBondContact O-CB 3.43Å; R213-S216 PolarHBondContact O-N 3.44Å; R213-M217 HydrophobicContact CG-SD 3.93Å; R213-M217 WeakPolarHBondContact O-CB 3.26Å; R213-M217 VanDerWaalsContact O-CG 3.24Å; R213-M217 WeakPolarHBondContact O-CG 3.37Å; R213-M217 PolarHBondContact O-N 3.25Å
214	A	97.7	Very high	97	Very high	1 Å²	1	53 Å²	53	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-46.3	178.5	0	0	0	0	0	111.8	E210 A211 S216 M217 K218 A225 L229	E210-A214 VanDerWaalsContact O-CB 3.27Å; E210-A214 WeakPolarHBondContact O-CB 3.35Å; E210-A214 PolarHBondContact O-N 3.02Å; A211-A214 PolarHBondContact O-N 3.48Å; A214-S216 PolarHBondContact O-N 3.16Å; A214-M217 PolarHBondContact O-N 3.04Å; A214-K218 WeakPolarHBondContact O-CB 3.4Å; A214-K218 VanDerWaalsContact O-CG 3.29Å; A214-K218 WeakPolarHBondContact O-CG 2.91Å; A214-K218 PolarHBondContact O-N 2.87Å; A214-K218 VanDerWaalsContact O-N 3.08Å; A214-A225 HydrophobicContact CB-CB 4.21Å; A214-L229 HydrophobicContact CB-CD1 3.9Å; A214-L229 HydrophobicContact CB-CD2 3.81Å; A214-L229 HydrophobicContact CB-CG 3.67Å
215	L	98.1	Very high	97.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-46.1	175.1	-75.8	163.9	0	0	0	111.7	L197 V198 L201 A211 M217 K218 N219 W220 L222 A225	L197-L215 VanDerWaalsContact C-CD1 3.49Å; L197-L215 HydrophobicContact CB-CD1 3.75Å; L197-L215 HydrophobicContact CB-CD2 4.09Å; L197-L215 HydrophobicContact CD1-CD2 4.43Å; V198-L215 HydrophobicContact CB-CD1 4.4Å; V198-L215 HydrophobicContact CG2-CD1 3.77Å; L201-L215 HydrophobicContact CD1-CD1 3.64Å; L201-L215 HydrophobicContact CD1-CD2 4.11Å; L201-L215 HydrophobicContact CD1-CG 3.6Å; L201-L215 HydrophobicContact CG-CD1 4.44Å; A211-L215 WeakPolarHBondContact O-CB 3.34Å; A211-L215 WeakPolarHBondContact O-CG 3.32Å; A211-L215 PolarHBondContact O-N 3.17Å; L215-M217 VanDerWaalsContact C-N 3.33Å; L215-M217 PolarHBondContact O-N 3.33Å; L215-K218 CarbonylContact O-C 3.42Å; L215-K218 PolarHBondContact O-N 3.41Å; L215-K218 VanDerWaalsContact O-N 3.09Å; L215-N219 PolarHBondContact O-N 3.35Å; L215-W220 HydrophobicContact CB-CD2 4.17Å; L215-W220 HydrophobicContact CB-CE3 3.57Å; L215-W220 HydrophobicContact CB-CH2 4.43Å; L215-W220 HydrophobicContact CB-CZ3 3.71Å; L215-W220 HydrophobicContact CD1-CE3 4.11Å; L215-W220 HydrophobicContact CD1-CZ3 3.95Å; L215-W220 HydrophobicContact CD2-CE3 4.46Å; L215-W220 HydrophobicContact CG-CE3 4.27Å; L215-W220 HydrophobicContact CG-CZ3 4.42Å; L215-W220 WeakPolarHBondContact O-CA 3.48Å; L215-W220 PolarHBondContact O-N 3.45Å; L215-L222 HydrophobicContact CD2-CD1 4.36Å; L215-A225 HydrophobicContact CB-CB 4.49Å; L215-A225 HydrophobicContact CD2-CB 3.65Å; L215-A225 HydrophobicContact CG-CB 3.91Å
216	S	97.7	Very high	97.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-44.7	178.3	-60.3	0	0	0	0	111.9	Q165 T176 W180 C212 R213 A214 K218 N219	Q165-S216 PolarHBondContact NE2-O 2.97Å; T176-S216 WeakPolarHBondContact CG2-OG 3.47Å; W180-S216 PolarHBondContact NE1-OG 3.29Å; C212-S216 VanDerWaalsContact O-CB 3.27Å; C212-S216 WeakPolarHBondContact O-CB 3.5Å; C212-S216 PolarHBondContact O-N 2.87Å; C212-S216 PolarHBondContact O-OG 3.5Å; R213-S216 WeakPolarHBondContact O-CB 3.43Å; R213-S216 PolarHBondContact O-N 3.44Å; A214-S216 PolarHBondContact O-N 3.16Å; S216-K218 VanDerWaalsContact C-N 3.27Å; S216-K218 PolarHBondContact O-N 3.35Å; S216-N219 PolarHBondContact O-N 2.94Å
217	M	96.3	Very high	97.1	Very high	39 Å²	39	48.3 Å²	48.3	19%	0.192	25%	0.247	C	C	.	.	H	α-helix	trans	-67.6	-24.2	177.7	-69.4	173.1	61.2	0	0	113.6	W112 V161 R213 A214 L215	W112-M217 HydrophobicContact CH2-CG 3.9Å; V161-M217 HydrophobicContact CG1-CB 4.05Å; V161-M217 HydrophobicContact CG1-CG 3.97Å; V161-M217 HydrophobicContact CG2-CE 4.5Å; R213-M217 HydrophobicContact CG-SD 3.93Å; R213-M217 WeakPolarHBondContact O-CB 3.26Å; R213-M217 VanDerWaalsContact O-CG 3.24Å; R213-M217 WeakPolarHBondContact O-CG 3.37Å; R213-M217 PolarHBondContact O-N 3.25Å; A214-M217 PolarHBondContact O-N 3.04Å; L215-M217 VanDerWaalsContact C-N 3.33Å; L215-M217 PolarHBondContact O-N 3.33Å
218	K	96.4	Very high	97	Very high	64 Å²	64	46.6 Å²	46.6	28%	0.278	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	25.3	-177.8	-58	-56.1	-178.7	-173.4	0	113	A214 L215 S216 W220 D221 M224 A225	A214-K218 WeakPolarHBondContact O-CB 3.4Å; A214-K218 VanDerWaalsContact O-CG 3.29Å; A214-K218 WeakPolarHBondContact O-CG 2.91Å; A214-K218 PolarHBondContact O-N 2.87Å; A214-K218 VanDerWaalsContact O-N 3.08Å; L215-K218 CarbonylContact O-C 3.42Å; L215-K218 PolarHBondContact O-N 3.41Å; L215-K218 VanDerWaalsContact O-N 3.09Å; S216-K218 VanDerWaalsContact C-N 3.27Å; S216-K218 PolarHBondContact O-N 3.35Å; K218-W220 PolarHBondContact O-N 3.06Å; K218-W220 VanDerWaalsContact O-N 3.15Å; K218-D221 WeakPolarHBondContact O-CB 3.34Å; K218-D221 PolarHBondContact O-N 2.99Å; K218-M224 HydrophobicContact CB-CB 3.98Å; K218-M224 HydrophobicContact CD-CB 4.3Å; K218-M224 HydrophobicContact CD-CE 4.44Å; K218-M224 HydrophobicContact CG-CB 4.08Å; K218-A225 HydrophobicContact CB-CB 4.39Å; K218-A225 HydrophobicContact CG-CB 4.44Å
219	N	95.2	Very high	97.1	Very high	89 Å²	89	42.9 Å²	42.9	48%	0.476	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	36.9	179.4	-64.4	-39.1	0	0	0	113.2	Q165 L215 S216 D221	Q165-N219 PolarHBondContact NE2-OD1 2.96Å; L215-N219 PolarHBondContact O-N 3.35Å; S216-N219 PolarHBondContact O-N 2.94Å; N219-D221 PolarHBondContact O-N 3.3Å
220	W	96.7	Very high	97.1	Very high	17 Å²	17	47 Å²	47	6%	0.064	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	23.8	-179.4	-57.4	90.8	0	0	0	114.5	T176 H179 C194 L197 V198 L215 K218 L222	T176-W220 HydrophobicContact CG2-CZ2 4.14Å; T176-W220 PolarHBondContact OG1-NE1 3.15Å; H179-W220 AromaticContact CD2-CH2 3.6Å; H179-W220 AromaticContact NE2-CH2 3.79Å; C194-W220 HydrophobicContact CB-CD2 4.26Å; C194-W220 HydrophobicContact CB-CE3 3.83Å; C194-W220 HydrophobicContact CB-CH2 3.44Å; C194-W220 VanDerWaalsContact CB-CH2 3.44Å; C194-W220 HydrophobicContact CB-CZ2 3.87Å; C194-W220 HydrophobicContact CB-CZ3 3.41Å; C194-W220 VanDerWaalsContact CB-CZ3 3.41Å; C194-W220 WeakPolarHBondContact O-CZ3 3.33Å; C194-W220 VanDerWaalsContact SG-CD2 3.51Å; C194-W220 WeakPolarHBondContact SG-CZ2 3.48Å; L197-W220 HydrophobicContact CB-CE3 4.41Å; L197-W220 HydrophobicContact CD1-CB 3.91Å; L197-W220 HydrophobicContact CD1-CE3 4.12Å; L197-W220 VanDerWaalsContact CD1-O 3.29Å; L197-W220 WeakPolarHBondContact CD1-O 3.1Å; V198-W220 HydrophobicContact CG2-CH2 4.45Å; V198-W220 HydrophobicContact CG2-CZ3 4Å; L215-W220 HydrophobicContact CB-CD2 4.17Å; L215-W220 HydrophobicContact CB-CE3 3.57Å; L215-W220 HydrophobicContact CB-CH2 4.43Å; L215-W220 HydrophobicContact CB-CZ3 3.71Å; L215-W220 HydrophobicContact CD1-CE3 4.11Å; L215-W220 HydrophobicContact CD1-CZ3 3.95Å; L215-W220 HydrophobicContact CD2-CE3 4.46Å; L215-W220 HydrophobicContact CG-CE3 4.27Å; L215-W220 HydrophobicContact CG-CZ3 4.42Å; L215-W220 WeakPolarHBondContact O-CA 3.48Å; L215-W220 PolarHBondContact O-N 3.45Å; K218-W220 PolarHBondContact O-N 3.06Å; K218-W220 VanDerWaalsContact O-N 3.15Å; W220-L222 PolarHBondContact O-N 2.98Å
221	D	97.1	Very high	96.6	Very high	70 Å²	70	52.9 Å²	52.9	37%	0.374	27%	0.265	S	S	.	.			trans	-79.1	111.6	167.9	-172.7	-62.9	0	0	0	110.4	K218 N219 A223 M224 A225	K218-D221 WeakPolarHBondContact O-CB 3.34Å; K218-D221 PolarHBondContact O-N 2.99Å; N219-D221 PolarHBondContact O-N 3.3Å; D221-A223 VanDerWaalsContact C-N 3.33Å; D221-A223 PolarHBondContact O-N 3.14Å; D221-A223 WeakPolarHBondContact OD1-CA 3.38Å; D221-A223 WeakPolarHBondContact OD1-CB 3.48Å; D221-A223 PolarHBondContact OD1-N 3.42Å; D221-M224 HydrophobicContact CB-CB 4.06Å; D221-M224 HydrophobicContact CB-CG 4.13Å; D221-M224 HydrophobicContact CB-SD 4.25Å; D221-M224 WeakPolarHBondContact OD1-CG 3.35Å; D221-M224 PolarHBondContact OD1-N 3.48Å; D221-A225 WeakPolarHBondContact O-CB 3.29Å; D221-A225 PolarHBondContact O-N 3.19Å
222	L	97.7	Very high	96.5	Very high	52 Å²	52	55.5 Å²	55.5	27%	0.272	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-38.3	-177.3	-176.1	62	0	0	0	112.6	L197 K200 L201 L215 W220 T226	L197-L222 HydrophobicContact CD2-CB 4.21Å; L197-L222 HydrophobicContact CD2-CD2 4.38Å; K200-L222 HydrophobicContact CB-CD1 4.33Å; K200-L222 HydrophobicContact CB-CD2 4.42Å; K200-L222 HydrophobicContact CD-CD2 3.76Å; L201-L222 HydrophobicContact CD1-CD1 4.32Å; L201-L222 HydrophobicContact CD2-CD1 3.65Å; L201-L222 HydrophobicContact CG-CD1 3.7Å; L215-L222 HydrophobicContact CD2-CD1 4.36Å; W220-L222 PolarHBondContact O-N 2.98Å; L222-T226 VanDerWaalsContact O-CB 3.28Å; L222-T226 WeakPolarHBondContact O-CB 3.44Å; L222-T226 PolarHBondContact O-N 3.3Å; L222-T226 PolarHBondContact O-OG1 3.39Å
223	A	97.8	Very high	96.5	Very high	70 Å²	70	58.3 Å²	58.3	58%	0.579	29%	0.292	S	S	*	.	H	α-helix	trans	-70.6	-47.2	-177	0	0	0	0	0	110.5	D221 A225 T226 E227	D221-A223 VanDerWaalsContact C-N 3.33Å; D221-A223 PolarHBondContact O-N 3.14Å; D221-A223 WeakPolarHBondContact OD1-CA 3.38Å; D221-A223 WeakPolarHBondContact OD1-CB 3.48Å; D221-A223 PolarHBondContact OD1-N 3.42Å; A223-A225 VanDerWaalsContact C-N 3.34Å; A223-A225 PolarHBondContact O-N 3.36Å; A223-T226 PolarHBondContact O-N 3.26Å; A223-E227 WeakPolarHBondContact O-CB 3.41Å; A223-E227 PolarHBondContact O-N 3.11Å
224	M	97.5	Very high	96.5	Very high	97 Å²	97	58.1 Å²	58.1	48%	0.478	30%	0.295	S	S	.	.	H	α-helix	trans	-65.5	-36.6	176.5	-65	-173.3	74.3	0	0	112.3	K218 D221 H228	K218-M224 HydrophobicContact CB-CB 3.98Å; K218-M224 HydrophobicContact CD-CB 4.3Å; K218-M224 HydrophobicContact CD-CE 4.44Å; K218-M224 HydrophobicContact CG-CB 4.08Å; D221-M224 HydrophobicContact CB-CB 4.06Å; D221-M224 HydrophobicContact CB-CG 4.13Å; D221-M224 HydrophobicContact CB-SD 4.25Å; D221-M224 WeakPolarHBondContact OD1-CG 3.35Å; D221-M224 PolarHBondContact OD1-N 3.48Å; M224-H228 WeakPolarHBondContact O-CB 3.16Å; M224-H228 PolarHBondContact O-N 2.82Å
225	A	98	Very high	96.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-67.9	-43	175.5	0	0	0	0	0	111.6	L201 A214 L215 K218 D221 A223 H228 L229	L201-A225 HydrophobicContact CD1-CB 4.22Å; A214-A225 HydrophobicContact CB-CB 4.21Å; L215-A225 HydrophobicContact CB-CB 4.49Å; L215-A225 HydrophobicContact CD2-CB 3.65Å; L215-A225 HydrophobicContact CG-CB 3.91Å; K218-A225 HydrophobicContact CB-CB 4.39Å; K218-A225 HydrophobicContact CG-CB 4.44Å; D221-A225 WeakPolarHBondContact O-CB 3.29Å; D221-A225 PolarHBondContact O-N 3.19Å; A223-A225 VanDerWaalsContact C-N 3.34Å; A223-A225 PolarHBondContact O-N 3.36Å; A225-H228 WeakPolarHBondContact O-CB 2.83Å; A225-H228 PolarHBondContact O-N 3.1Å; A225-L229 WeakPolarHBondContact O-CG 3.24Å; A225-L229 PolarHBondContact O-N 3.11Å
226	T	97.8	Very high	96.3	Very high	22 Å²	22	65.3 Å²	65.3	14%	0.135	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-47.6	174.2	-58.1	0	0	0	0	110.8	L201 M204 L222 A223 H228 L229 I230	L201-T226 VanDerWaalsContact CD2-OG1 3.3Å; L201-T226 WeakPolarHBondContact CD2-OG1 3.37Å; M204-T226 HydrophobicContact CE-CG2 3.69Å; L222-T226 VanDerWaalsContact O-CB 3.28Å; L222-T226 WeakPolarHBondContact O-CB 3.44Å; L222-T226 PolarHBondContact O-N 3.3Å; L222-T226 PolarHBondContact O-OG1 3.39Å; A223-T226 PolarHBondContact O-N 3.26Å; T226-H228 VanDerWaalsContact C-N 3.25Å; T226-H228 PolarHBondContact O-N 2.86Å; T226-L229 PolarHBondContact O-N 2.91Å; T226-L229 VanDerWaalsContact O-N 3.17Å; T226-I230 HydrophobicContact CG2-CD1 3.72Å; T226-I230 WeakPolarHBondContact O-CG1 3.35Å; T226-I230 PolarHBondContact O-N 3.43Å
227	E	97.5	Very high	96.2	Very high	104 Å²	104	69.7 Å²	69.7	49%	0.486	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-36.3	177	-172.8	-175.8	177.8	0	0	111.8	A223 K231	A223-E227 WeakPolarHBondContact O-CB 3.41Å; A223-E227 PolarHBondContact O-N 3.11Å; E227-K231 HydrophobicContact CG-CD 4.41Å; E227-K231 WeakPolarHBondContact O-CG 3.49Å; E227-K231 VanDerWaalsContact OE1-CE 3.3Å; E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 2.62Å; E227-K231 PolarHBondContact OE1-NZ 3.13Å
228	H	96.3	Very high	96.2	Very high	64 Å²	64	71.9 Å²	71.9	30%	0.296	37%	0.366	S	S	.	.	H	α-helix	trans	-66.5	-36	176.3	-175.7	46.8	0	0	0	113.1	M224 A225 T226	M224-H228 WeakPolarHBondContact O-CB 3.16Å; M224-H228 PolarHBondContact O-N 2.82Å; A225-H228 WeakPolarHBondContact O-CB 2.83Å; A225-H228 PolarHBondContact O-N 3.1Å; T226-H228 VanDerWaalsContact C-N 3.25Å; T226-H228 PolarHBondContact O-N 2.86Å
229	L	96.8	Very high	96.2	Very high	36 Å²	36	72.5 Å²	72.5	19%	0.188	37%	0.372	C	S	.	.	H	α-helix	trans	-79.6	-21.1	-177.7	-72.2	166.9	0	0	0	114	L201 F206 E210 A214 A225 T226	L201-L229 HydrophobicContact CD1-CD1 3.77Å; L201-L229 HydrophobicContact CD2-CD1 4.27Å; L201-L229 HydrophobicContact CG-CD1 4.47Å; F206-L229 HydrophobicContact CB-CD1 4.24Å; F206-L229 HydrophobicContact CD1-CB 3.86Å; F206-L229 HydrophobicContact CD1-CD1 4.15Å; F206-L229 HydrophobicContact CD1-CG 4.43Å; F206-L229 HydrophobicContact CD2-CD1 3.89Å; F206-L229 HydrophobicContact CE1-CB 3.59Å; F206-L229 HydrophobicContact CE2-CB 4.35Å; F206-L229 HydrophobicContact CE2-CD1 4.26Å; F206-L229 HydrophobicContact CG-CB 4.36Å; F206-L229 HydrophobicContact CG-CD1 3.83Å; F206-L229 HydrophobicContact CZ-CB 3.86Å; E210-L229 HydrophobicContact CB-CD2 4.05Å; A214-L229 HydrophobicContact CB-CD1 3.9Å; A214-L229 HydrophobicContact CB-CD2 3.81Å; A214-L229 HydrophobicContact CB-CG 3.67Å; A225-L229 WeakPolarHBondContact O-CG 3.24Å; A225-L229 PolarHBondContact O-N 3.11Å; T226-L229 PolarHBondContact O-N 2.91Å; T226-L229 VanDerWaalsContact O-N 3.17Å
230	I	94.9	Very high	96.3	Very high	121 Å²	121	71.1 Å²	71.1	62%	0.621	36%	0.364	S	S	*	.	H	α-helix	trans	-86.7	-22.7	180	-65.2	168.8	0	0	0	111.9	F206 T226	F206-I230 HydrophobicContact CE1-CG1 4.44Å; F206-I230 HydrophobicContact CZ-CG1 3.86Å; T226-I230 HydrophobicContact CG2-CD1 3.72Å; T226-I230 WeakPolarHBondContact O-CG1 3.35Å; T226-I230 PolarHBondContact O-N 3.43Å
231	K	87	Confident	96.2	Very high	200 Å²	200	76 Å²	76	87%	0.87	39%	0.391	S	S	*	.			trans	-86.5	0	-179.1	-72.5	178.9	-177.4	174.5	0	112	E227	E227-K231 HydrophobicContact CG-CD 4.41Å; E227-K231 WeakPolarHBondContact O-CG 3.49Å; E227-K231 VanDerWaalsContact OE1-CE 3.3Å; E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 2.62Å; E227-K231 PolarHBondContact OE1-NZ 3.13Å

Retrieved 231 of 231 residues in 343.1 ms (Link to these results)

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