A0A087Y565_POEFO Loading...

NAD(P)(+)--arginine ADP-ribosyltransferase

AlphaFold DB , UniProt , Accession A0A087Y565, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 280 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	35.6	Very low	34.1	Very low	255 Å²	255	157.2 Å²	157.2	100%	1.256	81%	0.811	S	S	*	*				0	123.1	0	-66.9	-178.9	-88.8	0	0	108
2	G	38.8	Very low	34.2	Very low	79 Å²	79	157.3 Å²	157.3	81%	0.814	81%	0.809	S	S	*	*			cis	-148.7	153.6	-2.6	0	0	0	0	0	110.1
3	R	34.1	Very low	34.3	Very low	238 Å²	238	156.7 Å²	156.7	90%	0.898	81%	0.807	S	S	*	*			trans	-73.1	126.9	173.9	-78.8	173.7	161.1	173.6	-6.4	108.8	V5	R3-V5 PolarHBondContact O-N 3.22Å
4	L	27.4	Very low	34.2	Very low	163 Å²	163	160.4 Å²	160.4	85%	0.853	81%	0.814	S	S	*	*			trans	-74.5	93.9	170.3	-160.2	80.3	0	0	0	108.5	I6	L4-I6 PolarHBondContact O-N 3.06Å
5	V	34.1	Very low	34.7	Very low	103 Å²	103	157.2 Å²	157.2	62%	0.624	82%	0.822	S	S	*	*			trans	-80.5	105.5	172.9	179.7	0	0	0	0	107.4	R3 W7	R3-V5 PolarHBondContact O-N 3.22Å; V5-W7 PolarHBondContact O-N 2.83Å
6	I	33.9	Very low	34.8	Very low	142 Å²	142	152.8 Å²	152.8	73%	0.728	81%	0.809	S	S	*	*			trans	-79	105.3	170.3	-60.7	176	0	0	0	107.2	L4 V8	L4-I6 PolarHBondContact O-N 3.06Å; I6-V8 PolarHBondContact O-N 3.16Å
7	W	28.3	Very low	35.4	Very low	205 Å²	205	152.5 Å²	152.5	78%	0.777	82%	0.82	S	S	*	*			trans	-67.5	118.6	173.2	-82.4	64.4	0	0	0	110	V5 T9	V5-W7 PolarHBondContact O-N 2.83Å; W7-T9 HydrophobicContact CE3-CG2 4.5Å; W7-T9 PolarHBondContact O-N 2.93Å
8	V	33.6	Very low	36	Very low	129 Å²	129	149.6 Å²	149.6	78%	0.782	81%	0.808	S	S	*	*			trans	-85.4	94.4	163.8	178.7	0	0	0	0	106.7	I6 V10	I6-V8 PolarHBondContact O-N 3.16Å; V8-V10 PolarHBondContact O-N 3.47Å
9	T	37.1	Very low	36.5	Very low	100 Å²	100	144.4 Å²	144.4	61%	0.613	79%	0.793	S	S	*	*			trans	-77.8	110.4	171.3	34.3	0	0	0	0	109.6	W7 F11	W7-T9 HydrophobicContact CE3-CG2 4.5Å; W7-T9 PolarHBondContact O-N 2.93Å; T9-F11 PolarHBondContact O-N 3.1Å
10	V	38.1	Very low	36.7	Very low	118 Å²	118	141.6 Å²	141.6	72%	0.715	78%	0.78	S	S	*	*			trans	-75.6	108.1	166.9	175	0	0	0	0	107.6	V8 M12	V8-V10 PolarHBondContact O-N 3.47Å; V10-M12 HydrophobicContact CG1-CG 4.48Å
11	F	34.6	Very low	37.6	Very low	197 Å²	197	140.3 Å²	140.3	86%	0.864	78%	0.779	S	S	*	*			trans	-102	104.9	161.7	-96.8	-84.6	0	0	0	108.6	T9	T9-F11 PolarHBondContact O-N 3.1Å
12	M	35.1	Very low	38	Very low	158 Å²	158	133.3 Å²	133.3	78%	0.778	75%	0.746	S	S	*	*			trans	-86.4	150.2	156.8	-79	-149.6	-158	0	0	109.5	V10	V10-M12 HydrophobicContact CG1-CG 4.48Å
13	L	35.3	Very low	38.5	Very low	150 Å²	150	133.4 Å²	133.4	79%	0.785	73%	0.725	S	S	*	*			trans	88.8	87.2	166.6	-51.4	176.4	0	0	0	116
14	F	33.2	Very low	39.4	Very low	208 Å²	208	125.2 Å²	125.2	91%	0.912	70%	0.702	S	S	*	*				-144.2	115.4	117.5	-85	-74.1	0	0	0	108.8	S16	F14-S16 PolarHBondContact O-N 3.35Å; F14-S16 VanDerWaalsContact O-N 3.11Å
15	A	41.4	Very low	40.3	Very low	113 Å²	113	123.2 Å²	123.2	93%	0.934	69%	0.686	S	S	*	*			trans	-66.7	104.9	169	0	0	0	0	0	108.6
16	S	36.8	Very low	41	Very low	86 Å²	86	123.3 Å²	123.3	60%	0.601	68%	0.678	S	S	*	*			trans	-133	144.2	165.5	55.6	0	0	0	0	108.1	F14 V18	F14-S16 PolarHBondContact O-N 3.35Å; F14-S16 VanDerWaalsContact O-N 3.11Å; S16-V18 PolarHBondContact O-N 3.15Å
17	C	44.3	Very low	41.7	Very low	148 Å²	148	123.5 Å²	123.5	100%	1	67%	0.673	S	S	*	*	S	Bend	trans	-61.6	62.7	-170.2	-69.9	0	0	0	0	115.1
18	V	46.1	Very low	42.9	Very low	101 Å²	101	119.6 Å²	119.6	61%	0.612	66%	0.662	S	S	*	*			trans	-122	129.5	171.2	-162.3	0	0	0	0	105.9	S16 V24	S16-V18 PolarHBondContact O-N 3.15Å; V18-V24 HydrophobicContact CG1-CG2 3.66Å
19	G	46.4	Very low	43.3	Very low	50 Å²	50	119.3 Å²	119.3	52%	0.515	65%	0.647	S	S	.	*			trans	-46.5	160.2	-174.5	0	0	0	0	0	113.3	V24	G19-V24 VanDerWaalsContact O-CG2 3.24Å; G19-V24 WeakPolarHBondContact O-CG2 3.32Å
20	T	40.6	Very low	44	Very low	88 Å²	88	119.9 Å²	119.9	54%	0.54	64%	0.643	S	S	.	*			trans	-40.5	141.2	-172.9	56.8	0	0	0	0	112.5	L22 E23 V24	T20-L22 CarbonylContact O-C 3.58Å; T20-L22 PolarHBondContact O-N 3.18Å; T20-E23 PolarHBondContact O-N 3.08Å; T20-V24 PolarHBondContact O-N 3.38Å
21	P	53.8	Low	44.7	Very low	115 Å²	115	122 Å²	122	75%	0.747	64%	0.643	S	S	*	*	H	α-helix	trans	-47.8	-31.5	-177.7	-30.3	34.4	0	0	0	113.6	F25	P21-F25 WeakPolarHBondContact O-CB 2.97Å; P21-F25 PolarHBondContact O-N 3.1Å
22	L	45.9	Very low	45.5	Very low	109 Å²	109	114.6 Å²	114.6	57%	0.571	61%	0.614	S	S	*	*	H	α-helix	trans	-66.2	-40.2	174.5	-170.9	66.1	0	0	0	114.2	T20 K26	T20-L22 CarbonylContact O-C 3.58Å; T20-L22 PolarHBondContact O-N 3.18Å; L22-K26 WeakPolarHBondContact O-CB 3.43Å; L22-K26 VanDerWaalsContact O-CG 3.23Å; L22-K26 WeakPolarHBondContact O-CG 3.35Å; L22-K26 PolarHBondContact O-N 2.87Å
23	E	48.9	Very low	46.2	Very low	81 Å²	81	111.5 Å²	111.5	38%	0.379	60%	0.596	S	S	.	*	H	α-helix	trans	-74.4	-36.2	177.4	-76.6	-58.3	135.4	0	0	112.2	T20 K26 K27	T20-E23 PolarHBondContact O-N 3.08Å; E23-K26 IonicContact OE1-NZ 2.7Å; E23-K26 PolarHBondContact OE1-NZ 3.47Å; E23-K27 WeakPolarHBondContact O-CB 3.49Å; E23-K27 VanDerWaalsContact O-CG 3.31Å; E23-K27 WeakPolarHBondContact O-CG 2.78Å; E23-K27 PolarHBondContact O-N 3.43Å
24	V	51.9	Low	47	Very low	66 Å²	66	107.9 Å²	107.9	40%	0.4	58%	0.577	S	S	.	*	H	α-helix	trans	-64.8	-45.3	171.6	176.1	0	0	0	0	110.1	V18 G19 T20 K27 F28	V18-V24 HydrophobicContact CG1-CG2 3.66Å; G19-V24 VanDerWaalsContact O-CG2 3.24Å; G19-V24 WeakPolarHBondContact O-CG2 3.32Å; T20-V24 PolarHBondContact O-N 3.38Å; V24-K27 PolarHBondContact O-N 3.33Å; V24-F28 WeakPolarHBondContact O-CB 3.33Å; V24-F28 PolarHBondContact O-N 3.4Å
25	F	46.9	Very low	47.6	Very low	121 Å²	121	108 Å²	108	53%	0.531	57%	0.571	S	S	.	*	H	α-helix	trans	-64.7	-41.2	177	-169.1	-100.2	0	0	0	112.4	P21 F28 W29	P21-F25 WeakPolarHBondContact O-CB 2.97Å; P21-F25 PolarHBondContact O-N 3.1Å; F25-F28 PolarHBondContact O-N 3.02Å; F25-W29 AromaticContact CE1-CD1 3.4Å; F25-W29 VanDerWaalsContact CE1-CD1 3.4Å; F25-W29 HydrophobicContact CE1-CG 4.41Å; F25-W29 AromaticContact CE1-NE1 3.74Å; F25-W29 AromaticContact CZ-CD1 3.47Å; F25-W29 VanDerWaalsContact CZ-CD1 3.47Å; F25-W29 AromaticContact CZ-NE1 3.54Å; F25-W29 WeakPolarHBondContact O-CB 3.32Å; F25-W29 PolarHBondContact O-N 2.71Å
26	K	49.3	Very low	48	Very low	105 Å²	105	108.4 Å²	108.4	46%	0.457	56%	0.557	S	S	.	*	H	α-helix	trans	-61.7	-45.2	172.5	-79.6	174.8	-169.5	167.9	0	112.1	L22 E23 F28 W29 Q30	L22-K26 WeakPolarHBondContact O-CB 3.43Å; L22-K26 VanDerWaalsContact O-CG 3.23Å; L22-K26 WeakPolarHBondContact O-CG 3.35Å; L22-K26 PolarHBondContact O-N 2.87Å; E23-K26 IonicContact OE1-NZ 2.7Å; E23-K26 PolarHBondContact OE1-NZ 3.47Å; K26-F28 VanDerWaalsContact C-N 3.33Å; K26-W29 PolarHBondContact O-N 2.88Å; K26-Q30 VanDerWaalsContact O-CB 3.27Å; K26-Q30 WeakPolarHBondContact O-CB 3.38Å; K26-Q30 PolarHBondContact O-N 2.86Å
27	K	48.1	Very low	49.2	Very low	145 Å²	145	112.6 Å²	112.6	63%	0.63	56%	0.559	S	S	*	*	H	α-helix	trans	-61.5	-43	176.4	-78.2	177.3	-179.3	-179.9	0	111.1	E23 V24 Q30 K31	E23-K27 WeakPolarHBondContact O-CB 3.49Å; E23-K27 VanDerWaalsContact O-CG 3.31Å; E23-K27 WeakPolarHBondContact O-CG 2.78Å; E23-K27 PolarHBondContact O-N 3.43Å; V24-K27 PolarHBondContact O-N 3.33Å; K27-Q30 PolarHBondContact O-N 2.92Å; K27-K31 WeakPolarHBondContact O-CB 3.44Å; K27-K31 PolarHBondContact O-N 3.29Å
28	F	53.2	Low	50.7	Low	123 Å²	123	108.2 Å²	108.2	54%	0.539	54%	0.539	S	S	.	.	H	α-helix	trans	-61.9	-49.5	175.1	-179.3	-103.1	0	0	0	111.5	V24 F25 K26 Q30 K31 V32	V24-F28 WeakPolarHBondContact O-CB 3.33Å; V24-F28 PolarHBondContact O-N 3.4Å; F25-F28 PolarHBondContact O-N 3.02Å; K26-F28 VanDerWaalsContact C-N 3.33Å; F28-Q30 VanDerWaalsContact C-N 3.32Å; F28-Q30 PolarHBondContact O-N 3.43Å; F28-K31 WeakPolarHBondContact O-CB 3.38Å; F28-K31 PolarHBondContact O-N 2.78Å; F28-K31 VanDerWaalsContact O-N 3.13Å; F28-V32 HydrophobicContact CD1-CG2 4.23Å; F28-V32 HydrophobicContact CE1-CG2 3.91Å; F28-V32 HydrophobicContact CE2-CG2 4.24Å; F28-V32 HydrophobicContact CZ-CG2 3.91Å; F28-V32 VanDerWaalsContact O-CG2 3.31Å; F28-V32 WeakPolarHBondContact O-CG2 3.5Å; F28-V32 PolarHBondContact O-N 3.26Å
29	W	42.6	Very low	52.7	Low	123 Å²	123	107.3 Å²	107.3	47%	0.466	54%	0.536	S	S	.	.	H	α-helix	trans	-64.8	-32.7	177.3	-112.7	91.4	0	0	0	113.5	F25 K26 K33	F25-W29 AromaticContact CE1-CD1 3.4Å; F25-W29 VanDerWaalsContact CE1-CD1 3.4Å; F25-W29 HydrophobicContact CE1-CG 4.41Å; F25-W29 AromaticContact CE1-NE1 3.74Å; F25-W29 AromaticContact CZ-CD1 3.47Å; F25-W29 VanDerWaalsContact CZ-CD1 3.47Å; F25-W29 AromaticContact CZ-NE1 3.54Å; F25-W29 WeakPolarHBondContact O-CB 3.32Å; F25-W29 PolarHBondContact O-N 2.71Å; K26-W29 PolarHBondContact O-N 2.88Å; W29-K33 HydrophobicContact CE3-CD 3.91Å; W29-K33 VanDerWaalsContact CE3-CE 3.45Å; W29-K33 HydrophobicContact CE3-CG 3.84Å; W29-K33 HydrophobicContact CZ3-CD 4.23Å; W29-K33 VanDerWaalsContact CZ3-CE 3.44Å; W29-K33 HydrophobicContact CZ3-CG 4.03Å; W29-K33 VanDerWaalsContact O-CB 3.27Å; W29-K33 WeakPolarHBondContact O-CB 2.99Å; W29-K33 WeakPolarHBondContact O-CG 2.95Å; W29-K33 PolarHBondContact O-N 2.75Å
30	Q	52.3	Low	54.9	Low	113 Å²	113	109 Å²	109	53%	0.528	53%	0.532	S	S	.	.	H	α-helix	trans	-68.6	-41	173.3	-164.6	76.1	12.5	0	0	110.8	K26 K27 F28 K33 N34	K26-Q30 VanDerWaalsContact O-CB 3.27Å; K26-Q30 WeakPolarHBondContact O-CB 3.38Å; K26-Q30 PolarHBondContact O-N 2.86Å; K27-Q30 PolarHBondContact O-N 2.92Å; F28-Q30 VanDerWaalsContact C-N 3.32Å; F28-Q30 PolarHBondContact O-N 3.43Å; Q30-K33 PolarHBondContact O-N 3.34Å; Q30-N34 WeakPolarHBondContact O-CB 3.39Å; Q30-N34 PolarHBondContact O-N 2.8Å; Q30-N34 PolarHBondContact O-ND2 2.86Å
31	K	52.1	Low	57.4	Low	162 Å²	162	111.9 Å²	111.9	70%	0.704	54%	0.537	S	S	*	.	H	α-helix	trans	-63.4	-44.9	174.8	-166.7	176.9	-179.7	-177.8	0	110.8	K27 F28 N34 W35	K27-K31 WeakPolarHBondContact O-CB 3.44Å; K27-K31 PolarHBondContact O-N 3.29Å; F28-K31 WeakPolarHBondContact O-CB 3.38Å; F28-K31 PolarHBondContact O-N 2.78Å; F28-K31 VanDerWaalsContact O-N 3.13Å; K31-N34 PolarHBondContact O-N 3.09Å; K31-W35 WeakPolarHBondContact O-CB 3.39Å; K31-W35 PolarHBondContact O-N 3.21Å
32	V	50.3	Low	59.4	Low	42 Å²	42	107.2 Å²	107.2	26%	0.255	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-44.9	175.1	172.2	0	0	0	0	111.6	F28 N34 W35 I36	F28-V32 HydrophobicContact CD1-CG2 4.23Å; F28-V32 HydrophobicContact CE1-CG2 3.91Å; F28-V32 HydrophobicContact CE2-CG2 4.24Å; F28-V32 HydrophobicContact CZ-CG2 3.91Å; F28-V32 VanDerWaalsContact O-CG2 3.31Å; F28-V32 WeakPolarHBondContact O-CG2 3.5Å; F28-V32 PolarHBondContact O-N 3.26Å; V32-N34 VanDerWaalsContact C-N 3.29Å; V32-N34 PolarHBondContact O-N 2.94Å; V32-W35 WeakPolarHBondContact O-CB 3.42Å; V32-W35 PolarHBondContact O-N 2.95Å; V32-W35 VanDerWaalsContact O-N 3.08Å; V32-I36 HydrophobicContact CG1-CD1 3.52Å; V32-I36 HydrophobicContact CG1-CG1 4.29Å; V32-I36 WeakPolarHBondContact O-CG1 3.28Å; V32-I36 PolarHBondContact O-N 2.98Å
33	K	50.2	Low	61.9	Low	92 Å²	92	105.3 Å²	105.3	40%	0.4	50%	0.496	S	S	.	.	H	α-helix	trans	-60.1	-36.2	174.7	-87.4	173.4	174	166.3	0	113.3	W29 Q30 W35 R37	W29-K33 HydrophobicContact CE3-CD 3.91Å; W29-K33 VanDerWaalsContact CE3-CE 3.45Å; W29-K33 HydrophobicContact CE3-CG 3.84Å; W29-K33 HydrophobicContact CZ3-CD 4.23Å; W29-K33 VanDerWaalsContact CZ3-CE 3.44Å; W29-K33 HydrophobicContact CZ3-CG 4.03Å; W29-K33 VanDerWaalsContact O-CB 3.27Å; W29-K33 WeakPolarHBondContact O-CB 2.99Å; W29-K33 WeakPolarHBondContact O-CG 2.95Å; W29-K33 PolarHBondContact O-N 2.75Å; Q30-K33 PolarHBondContact O-N 3.34Å; K33-W35 VanDerWaalsContact C-N 3.34Å; K33-R37 WeakPolarHBondContact O-CG 3.41Å; K33-R37 PolarHBondContact O-N 2.84Å
34	N	51.9	Low	64.2	Low	74 Å²	74	103.8 Å²	103.8	40%	0.396	49%	0.489	S	S	.	.	H	α-helix	trans	-75.2	-25.5	176.6	-72.4	-11.9	0	0	0	112.4	Q30 K31 V32	Q30-N34 WeakPolarHBondContact O-CB 3.39Å; Q30-N34 PolarHBondContact O-N 2.8Å; Q30-N34 PolarHBondContact O-ND2 2.86Å; K31-N34 PolarHBondContact O-N 3.09Å; V32-N34 VanDerWaalsContact C-N 3.29Å; V32-N34 PolarHBondContact O-N 2.94Å
35	W	45.9	Very low	66.4	Low	210 Å²	210	101.1 Å²	101.1	80%	0.795	47%	0.474	S	S	*	.	H	α-helix	trans	-78.6	-36.3	175.6	-168.8	66.1	0	0	0	112.6	K31 V32 K33	K31-W35 WeakPolarHBondContact O-CB 3.39Å; K31-W35 PolarHBondContact O-N 3.21Å; V32-W35 WeakPolarHBondContact O-CB 3.42Å; V32-W35 PolarHBondContact O-N 2.95Å; V32-W35 VanDerWaalsContact O-N 3.08Å; K33-W35 VanDerWaalsContact C-N 3.34Å
36	I	50.2	Low	68.8	Low	123 Å²	123	103.2 Å²	103.2	63%	0.631	48%	0.483	S	S	*	.	H	α-helix	trans	-77.8	-23.5	-178.3	-65.2	169.1	0	0	0	112.9	V32	V32-I36 HydrophobicContact CG1-CD1 3.52Å; V32-I36 HydrophobicContact CG1-CG1 4.29Å; V32-I36 WeakPolarHBondContact O-CG1 3.28Å; V32-I36 PolarHBondContact O-N 2.98Å
37	R	62	Low	71.1	Confident	173 Å²	173	102.2 Å²	102.2	65%	0.653	49%	0.486	S	S	*	.	S	Bend	trans	-84.6	129	178.3	-74.7	177.7	177.5	158.7	0.7	110.3	K33	K33-R37 WeakPolarHBondContact O-CG 3.41Å; K33-R37 PolarHBondContact O-N 2.84Å
38	G	76	Confident	73.5	Confident	56 Å²	56	95.3 Å²	95.3	58%	0.577	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-55.5	171	171.2	0	0	0	0	0	113.1	I40	G38-I40 PolarHBondContact O-N 2.92Å
39	P	88.5	Confident	75.7	Confident	83 Å²	83	89.4 Å²	89.4	54%	0.539	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-54.4	134.5	-175.2	-23.4	32.5	0	0	0	112.5	K41 K171	P39-K41 PolarHBondContact O-N 2.02Å; P39-K171 HydrophobicContact CB-CB 4.49Å
40	I	92.6	Very high	78.3	Confident	84 Å²	84	83.6 Å²	83.6	43%	0.431	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-66.9	128	176.7	-58.4	178.1	0	0	0	108.8	G38 L42 C170 K171 F172 S173	G38-I40 PolarHBondContact O-N 2.92Å; I40-L42 PolarHBondContact O-N 3.18Å; I40-C170 HydrophobicContact CD1-CB 3.81Å; I40-K171 PolarHBondContact N-O 3.26Å; I40-F172 HydrophobicContact CB-CD1 3.69Å; I40-F172 HydrophobicContact CB-CE1 3.89Å; I40-F172 HydrophobicContact CB-CG 4.5Å; I40-F172 HydrophobicContact CD1-CE1 4.26Å; I40-F172 HydrophobicContact CG2-CD1 3.92Å; I40-F172 HydrophobicContact CG2-CE1 3.86Å; I40-F172 CarbonylContact O-C 3.59Å; I40-F172 WeakPolarHBondContact O-CA 3.37Å; I40-S173 PolarHBondContact O-N 3.21Å
41	K	93.7	Very high	80.5	Confident	149 Å²	149	78.2 Å²	78.2	65%	0.648	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-71	125.5	175	-169.3	177	-179.5	178.2	0	110.1	P39 D43 S173	P39-K41 PolarHBondContact O-N 2.02Å; K41-D43 HydrophobicContact CG-CB 4.47Å; K41-S173 WeakPolarHBondContact CA-OG 3.37Å
42	L	95.9	Very high	82.7	Confident	17 Å²	17	72.1 Å²	72.1	9%	0.089	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-83.9	120.8	165.5	-65.6	168.3	0	0	0	108	I40 F172 S173 V176 I181 F206 Y255	I40-L42 PolarHBondContact O-N 3.18Å; L42-F172 HydrophobicContact CD1-CB 3.93Å; L42-F172 HydrophobicContact CD1-CD1 4.24Å; L42-F172 HydrophobicContact CD1-CG 4.21Å; L42-F172 HydrophobicContact CD2-CD1 3.43Å; L42-F172 VanDerWaalsContact CD2-CD1 3.43Å; L42-F172 HydrophobicContact CD2-CE1 3.78Å; L42-F172 HydrophobicContact CD2-CG 4.17Å; L42-F172 HydrophobicContact CG-CB 4.02Å; L42-F172 HydrophobicContact CG-CD1 3.64Å; L42-F172 HydrophobicContact CG-CE1 4.47Å; L42-F172 HydrophobicContact CG-CG 4.09Å; L42-S173 PolarHBondContact N-OG 3.25Å; L42-V176 HydrophobicContact CB-CG1 4.21Å; L42-V176 HydrophobicContact CB-CG2 4.45Å; L42-V176 HydrophobicContact CD1-CG2 4.09Å; L42-I181 HydrophobicContact CB-CD1 4.2Å; L42-I181 HydrophobicContact CB-CG2 3.96Å; L42-I181 HydrophobicContact CD1-CD1 4.34Å; L42-I181 HydrophobicContact CD2-CD1 4.12Å; L42-I181 HydrophobicContact CG-CD1 4.45Å; L42-F206 HydrophobicContact CD1-CE1 4.16Å; L42-F206 HydrophobicContact CD1-CZ 4.46Å; L42-F206 HydrophobicContact CD2-CE1 4.42Å; L42-F206 HydrophobicContact CD2-CZ 4.4Å; L42-Y255 HydrophobicContact CD1-CD1 4.04Å; L42-Y255 HydrophobicContact CD1-CE1 4.07Å
43	D	96.6	Very high	84.9	Confident	70 Å²	70	70.1 Å²	70.1	37%	0.374	35%	0.345	S	S	.	.	S	Bend	trans	-146.6	-170.6	-177.6	65.8	24.9	0	0	0	111.4	K41 A45 I181 R182	K41-D43 HydrophobicContact CG-CB 4.47Å; D43-A45 PolarHBondContact O-N 3.35Å; D43-A45 VanDerWaalsContact O-N 3.12Å; D43-A45 VanDerWaalsContact OD1-CA 3.28Å; D43-A45 WeakPolarHBondContact OD1-CA 2.96Å; D43-A45 PolarHBondContact OD1-N 2.82Å; D43-I181 CarbonylContact O-C 3.57Å; D43-I181 WeakPolarHBondContact O-CA 3.46Å; D43-R182 PolarHBondContact O-N 2.91Å
44	M	97.8	Very high	87.1	Confident	48 Å²	48	69 Å²	69	24%	0.236	34%	0.344	C	S	.	.			trans	-75	12.3	178.6	-67.4	-60.9	-74.9	0	0	114	K46 E180 R182 V235 L264	M44-K46 PolarHBondContact O-N 2.85Å; M44-E180 VanDerWaalsContact SD-C 3.52Å; M44-E180 HydrophobicContact SD-CB 3.79Å; M44-E180 VanDerWaalsContact SD-O 3.41Å; M44-R182 HydrophobicContact CE-CG 4.38Å; M44-R182 VanDerWaalsContact O-CZ 3.26Å; M44-R182 PolarHBondContact O-NE 3.38Å; M44-R182 PolarHBondContact O-NH2 3.37Å; M44-R182 HydrophobicContact SD-CG 4.48Å; M44-V235 HydrophobicContact CE-CG1 3.95Å; M44-V235 HydrophobicContact CE-CG2 4.02Å; M44-V235 HydrophobicContact SD-CG1 4.36Å; M44-L264 HydrophobicContact CE-CD2 3.6Å
45	A	97.5	Very high	89.2	Confident	10 Å²	10	73.9 Å²	73.9	8%	0.083	36%	0.362	C	S	.	.			trans	48	53.5	176.8	0	0	0	0	0	113.4	D43 T47 S48 R182	D43-A45 PolarHBondContact O-N 3.35Å; D43-A45 VanDerWaalsContact O-N 3.12Å; D43-A45 VanDerWaalsContact OD1-CA 3.28Å; D43-A45 WeakPolarHBondContact OD1-CA 2.96Å; D43-A45 PolarHBondContact OD1-N 2.82Å; A45-T47 PolarHBondContact O-N 3.26Å; A45-S48 WeakPolarHBondContact O-CB 3.41Å; A45-S48 PolarHBondContact O-N 3.31Å; A45-R182 HydrophobicContact CB-CB 4.01Å; A45-R182 PolarHBondContact O-NH2 3.04Å
46	K	97.5	Very high	91.7	Very high	166 Å²	166	64.3 Å²	64.3	72%	0.722	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.5	-172.4	-68.9	-173.4	177.6	-176.1	0	114.4	M44 K131	M44-K46 PolarHBondContact O-N 2.85Å; K46-K131 WeakPolarHBondContact O-CD 3.47Å; K46-K131 PolarHBondContact O-NZ 2.87Å
47	T	97.9	Very high	94	Very high	83 Å²	83	61 Å²	61	51%	0.509	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	2	178.9	56.5	0	0	0	0	114	A45 R128 K129 K131	A45-T47 PolarHBondContact O-N 3.26Å; T47-R128 CarbonylContact C-O 3.51Å; T47-R128 CarbonylContact O-C 3.4Å; T47-R128 PolarHBondContact OG1-O 2.98Å; T47-K129 CarbonylContact O-C 3.5Å; T47-K131 WeakPolarHBondContact O-CB 3.39Å; T47-K131 PolarHBondContact O-N 3.03Å; T47-K131 VanDerWaalsContact O-N 3.14Å
48	S	98.4	Very high	95.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.307	C	S	.	.			trans	-69.9	139.5	-178.9	-173.5	0	0	0	0	112.1	A45 D50 V127 K131 G184	A45-S48 WeakPolarHBondContact O-CB 3.41Å; A45-S48 PolarHBondContact O-N 3.31Å; S48-D50 PolarHBondContact O-N 3.05Å; S48-V127 CarbonylContact C-O 3.55Å; S48-V127 VanDerWaalsContact CA-O 3.26Å; S48-V127 WeakPolarHBondContact CA-O 3.26Å; S48-K131 WeakPolarHBondContact O-CB 3.38Å; S48-G184 WeakPolarHBondContact CB-O 3.43Å; S48-G184 VanDerWaalsContact OG-C 3.26Å; S48-G184 PolarHBondContact OG-O 3.08Å
49	V	98.7	Very high	96.7	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.298	C	S	.	.			trans	-77.6	107.9	161.4	-178.1	0	0	0	0	107.2	V127 Y134 F138 H144 L267	V49-V127 HydrophobicContact CB-CG1 4.26Å; V49-V127 PolarHBondContact N-O 2.91Å; V49-V127 WeakPolarHBondContact O-CG1 3.38Å; V49-Y134 HydrophobicContact CB-CD2 4.49Å; V49-Y134 HydrophobicContact CG1-CD2 3.42Å; V49-Y134 VanDerWaalsContact CG1-CD2 3.42Å; V49-Y134 HydrophobicContact CG1-CE2 3.45Å; V49-Y134 VanDerWaalsContact CG1-CE2 3.45Å; V49-Y134 HydrophobicContact CG1-CG 4.35Å; V49-Y134 HydrophobicContact CG2-CD2 4.24Å; V49-F138 HydrophobicContact CB-CE2 4.38Å; V49-F138 HydrophobicContact CB-CZ 4.34Å; V49-F138 HydrophobicContact CG1-CE1 4.22Å; V49-F138 HydrophobicContact CG1-CZ 4.07Å; V49-F138 HydrophobicContact CG2-CD2 4.05Å; V49-F138 HydrophobicContact CG2-CE2 3.81Å; V49-F138 HydrophobicContact CG2-CZ 4.22Å; V49-H144 PolarHBondContact O-NE2 3.04Å; V49-H144 VanDerWaalsContact O-NE2 3.12Å; V49-L267 HydrophobicContact CB-CD1 4.34Å; V49-L267 HydrophobicContact CG1-CD1 4.05Å; V49-L267 HydrophobicContact CG2-CD1 4.48Å
50	D	98.3	Very high	97.2	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.			trans	-128.6	24.4	-166.6	59.3	11.1	0	0	0	112.9	S48 M52 R182 S265 N266 L267	S48-D50 PolarHBondContact O-N 3.05Å; D50-M52 PolarHBondContact O-N 3.16Å; D50-R182 IonicContact OD2-CZ 3.47Å; D50-R182 IonicContact OD2-NH1 3.09Å; D50-R182 PolarHBondContact OD2-NH1 2.97Å; D50-R182 IonicContact OD2-NH2 3.28Å; D50-R182 PolarHBondContact OD2-NH2 3.19Å; D50-R182 VanDerWaalsContact OD2-NH2 3.14Å; D50-S265 WeakPolarHBondContact O-CB 3.35Å; D50-S265 PolarHBondContact O-OG 3.42Å; D50-N266 VanDerWaalsContact CG-N 3.27Å; D50-N266 PolarHBondContact OD1-N 2.93Å; D50-N266 PolarHBondContact OD2-N 3.39Å; D50-N266 VanDerWaalsContact OD2-N 3.14Å; D50-N266 PolarHBondContact OD2-ND2 2.81Å; D50-L267 PolarHBondContact OD1-N 3.36Å
51	D	98.4	Very high	97.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.258	C	S	.	.			trans	-61	126.8	-178.2	-162.3	-19.1	0	0	0	111.1	Y53 Y134 H144 L267 N268 C269	D51-Y53 HydrophobicContact CB-CD1 4.45Å; D51-Y53 HydrophobicContact CB-CE1 3.96Å; D51-Y53 HydrophobicContact CB-CE2 4.2Å; D51-Y53 VanDerWaalsContact CG-CE1 3.41Å; D51-Y53 WeakPolarHBondContact O-CE2 3.48Å; D51-Y53 PolarHBondContact OD1-N 3.45Å; D51-Y53 VanDerWaalsContact OD2-CE1 3.27Å; D51-Y53 WeakPolarHBondContact OD2-CE1 3.47Å; D51-Y134 HydrophobicContact CB-CE1 4.34Å; D51-Y134 WeakPolarHBondContact CB-OH 3.47Å; D51-Y134 WeakPolarHBondContact OD2-CE1 3.29Å; D51-Y134 PolarHBondContact OD2-OH 3.17Å; D51-H144 PolarHBondContact O-CE1 3.23Å; D51-L267 HydrophobicContact CB-CB 4.05Å; D51-L267 VanDerWaalsContact OD2-O 3.04Å; D51-N268 VanDerWaalsContact OD1-CA 3.28Å; D51-N268 WeakPolarHBondContact OD1-CA 3.4Å; D51-C269 PolarHBondContact OD1-N 2.91Å
52	M	97.4	Very high	97.7	Very high	35 Å²	35	51.5 Å²	51.5	17%	0.172	25%	0.25	C	C	.	.			trans	-94.4	-12.8	178.4	-71.6	172.2	67	0	0	112.6	D50 D54 R152 Y233 P263 N268	D50-M52 PolarHBondContact O-N 3.16Å; M52-D54 PolarHBondContact O-N 3.47Å; M52-R152 PolarHBondContact O-NH1 2.88Å; M52-Y233 HydrophobicContact CE-CD2 4.33Å; M52-Y233 HydrophobicContact CE-CE2 4.3Å; M52-Y233 HydrophobicContact CG-CD1 3.39Å; M52-Y233 HydrophobicContact CG-CD2 4.16Å; M52-Y233 HydrophobicContact CG-CE1 3.75Å; M52-Y233 HydrophobicContact CG-CE2 4.47Å; M52-Y233 HydrophobicContact CG-CG 3.61Å; M52-Y233 HydrophobicContact SD-CD1 4.36Å; M52-Y233 HydrophobicContact SD-CD2 4.12Å; M52-Y233 HydrophobicContact SD-CG 3.98Å; M52-P263 HydrophobicContact CE-CB 3.73Å; M52-P263 HydrophobicContact CE-CG 3.73Å; M52-P263 HydrophobicContact SD-CB 3.79Å; M52-P263 HydrophobicContact SD-CG 4.21Å; M52-N268 WeakPolarHBondContact CB-OD1 3.24Å
53	Y	98	Very high	97.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.257	C	S	.	.			trans	56.6	21.5	-175	-48.9	-76.2	0	0	0	114.4	D51 K55 C56 E57 M60 Y134 H144 F145 T148 M149 N268	D51-Y53 HydrophobicContact CB-CD1 4.45Å; D51-Y53 HydrophobicContact CB-CE1 3.96Å; D51-Y53 HydrophobicContact CB-CE2 4.2Å; D51-Y53 VanDerWaalsContact CG-CE1 3.41Å; D51-Y53 WeakPolarHBondContact O-CE2 3.48Å; D51-Y53 PolarHBondContact OD1-N 3.45Å; D51-Y53 VanDerWaalsContact OD2-CE1 3.27Å; D51-Y53 WeakPolarHBondContact OD2-CE1 3.47Å; Y53-K55 PolarHBondContact O-N 2.88Å; Y53-C56 PolarHBondContact O-N 3.3Å; Y53-C56 VanDerWaalsContact O-N 3.15Å; Y53-E57 WeakPolarHBondContact O-CG 3.22Å; Y53-E57 PolarHBondContact O-N 3.46Å; Y53-E57 VanDerWaalsContact O-OE1 3.12Å; Y53-M60 HydrophobicContact CD1-CB 3.97Å; Y53-M60 HydrophobicContact CD1-CG 3.6Å; Y53-M60 HydrophobicContact CD1-SD 4.3Å; Y53-M60 HydrophobicContact CE1-CB 4.43Å; Y53-M60 HydrophobicContact CE1-CE 3.77Å; Y53-M60 HydrophobicContact CE1-CG 3.57Å; Y53-M60 HydrophobicContact CE1-SD 3.86Å; Y53-M60 HydrophobicContact CG-CG 4.47Å; Y53-Y134 WeakPolarHBondContact CE1-OH 3.5Å; Y53-Y134 PolarHBondContact OH-OH 3.45Å; Y53-H144 AromaticContact CE2-ND1 3.46Å; Y53-H144 WeakPolarHBondContact CE2-ND1 3.13Å; Y53-H144 AromaticContact CZ-ND1 3.52Å; Y53-H144 PolarHBondContact OH-ND1 3.42Å; Y53-F145 AromaticContact CD1-CD2 3.94Å; Y53-F145 HydrophobicContact CD1-CD2 3.94Å; Y53-F145 AromaticContact CD2-CD2 3.71Å; Y53-F145 HydrophobicContact CD2-CD2 3.71Å; Y53-F145 HydrophobicContact CD2-CE2 4.4Å; Y53-F145 HydrophobicContact CE1-CD2 4.15Å; Y53-F145 HydrophobicContact CE2-CB 4.13Å; Y53-F145 AromaticContact CE2-CD2 3.93Å; Y53-F145 HydrophobicContact CE2-CD2 3.93Å; Y53-F145 AromaticContact CG-CD2 3.7Å; Y53-F145 HydrophobicContact CG-CD2 3.7Å; Y53-F145 HydrophobicContact CG-CE2 4.12Å; Y53-T148 HydrophobicContact CD2-CG2 3.92Å; Y53-T148 HydrophobicContact CE2-CG2 4.29Å; Y53-M149 HydrophobicContact CD2-CE 3.95Å; Y53-M149 HydrophobicContact CG-CE 4.4Å; Y53-N268 PolarHBondContact N-OD1 2.87Å
54	D	95.9	Very high	97.9	Very high	67 Å²	67	50.1 Å²	50.1	36%	0.358	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	117.5	179.3	178.1	44.6	0	0	0	109.7	M52 N268 C269	M52-D54 PolarHBondContact O-N 3.47Å; D54-N268 PolarHBondContact N-OD1 2.89Å; D54-N268 PolarHBondContact O-ND2 2.94Å; D54-N268 VanDerWaalsContact O-ND2 3.09Å; D54-C269 PolarHBondContact O-SG 3.25Å
55	K	96.5	Very high	97.9	Very high	178 Å²	178	53.1 Å²	53.1	77%	0.774	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	12.5	-178.3	-48.8	172.2	-174.9	179.8	0	115.6	Y53 E57	Y53-K55 PolarHBondContact O-N 2.88Å; K55-E57 WeakPolarHBondContact CA-OE2 3.49Å; K55-E57 PolarHBondContact N-OE1 3.49Å; K55-E57 PolarHBondContact N-OE2 3.09Å; K55-E57 VanDerWaalsContact N-OE2 3.08Å
56	C	97.8	Very high	97.9	Very high	8 Å²	8	59.2 Å²	59.2	5%	0.054	28%	0.278	C	S	.	.			trans	-136.9	23.1	171.9	64.9	0	0	0	0	112.7	Y53 H58 D59 M60 C269 F272	Y53-C56 PolarHBondContact O-N 3.3Å; Y53-C56 VanDerWaalsContact O-N 3.15Å; C56-H58 VanDerWaalsContact C-N 3.33Å; C56-H58 PolarHBondContact O-N 3.09Å; C56-D59 PolarHBondContact O-N 3.04Å; C56-M60 VanDerWaalsContact O-CB 3.32Å; C56-M60 WeakPolarHBondContact O-CB 3.38Å; C56-M60 PolarHBondContact O-N 3.29Å; C56-C269 HydrophobicContact CB-CB 3.72Å; C56-C269 WeakPolarHBondContact CB-SG 3.32Å; C56-C269 WeakPolarHBondContact SG-CA 3.32Å; C56-C269 WeakPolarHBondContact SG-CB 3.31Å; C56-C269 CovalentContact SG-SG 2.02Å; C56-C269 PolarHBondContact SG-SG 3.19Å; C56-F272 HydrophobicContact CB-CD2 3.75Å; C56-F272 HydrophobicContact CB-CE2 4.18Å; C56-F272 HydrophobicContact CB-CG 4.47Å
57	E	97.9	Very high	97.9	Very high	53 Å²	53	57 Å²	57	25%	0.248	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-48.5	-177.9	-63.5	84.3	170.4	0	0	111	Y53 K55 M60 E61 F145 M149 R152	Y53-E57 WeakPolarHBondContact O-CG 3.22Å; Y53-E57 PolarHBondContact O-N 3.46Å; Y53-E57 VanDerWaalsContact O-OE1 3.12Å; K55-E57 WeakPolarHBondContact CA-OE2 3.49Å; K55-E57 PolarHBondContact N-OE1 3.49Å; K55-E57 PolarHBondContact N-OE2 3.09Å; K55-E57 VanDerWaalsContact N-OE2 3.08Å; E57-M60 PolarHBondContact O-N 3.15Å; E57-E61 VanDerWaalsContact O-CB 3.32Å; E57-E61 WeakPolarHBondContact O-CB 3.16Å; E57-E61 PolarHBondContact O-N 3.46Å; E57-F145 WeakPolarHBondContact O-CZ 3.31Å; E57-M149 HydrophobicContact CB-SD 4.24Å; E57-M149 HydrophobicContact CG-CE 4.48Å; E57-M149 HydrophobicContact CG-SD 3.7Å; E57-R152 IonicContact OE1-CZ 2.69Å; E57-R152 VanDerWaalsContact OE1-CZ 3.26Å; E57-R152 IonicContact OE1-NH1 2.93Å; E57-R152 PolarHBondContact OE1-NH1 2.96Å; E57-R152 IonicContact OE1-NH2 2.71Å; E57-R152 PolarHBondContact OE1-NH2 2.87Å
58	H	97.8	Very high	97.9	Very high	138 Å²	138	54.2 Å²	54.2	64%	0.639	25%	0.249	S	C	*	.	H	α-helix	trans	-63.9	-47.2	179.4	178.6	-85.7	0	0	0	112.2	C56 M60 E61 K62	C56-H58 VanDerWaalsContact C-N 3.33Å; C56-H58 PolarHBondContact O-N 3.09Å; H58-M60 VanDerWaalsContact C-N 3.32Å; H58-M60 PolarHBondContact O-N 3.22Å; H58-E61 PolarHBondContact O-N 3.39Å; H58-K62 WeakPolarHBondContact O-CB 3.48Å; H58-K62 PolarHBondContact O-N 2.97Å
59	D	98.2	Very high	97.9	Very high	71 Å²	71	56 Å²	56	38%	0.38	26%	0.259	S	S	.	.	H	α-helix	trans	-65.2	-37.5	-179.4	-69.4	-17.4	0	0	0	111.6	C56 K63 F272	C56-D59 PolarHBondContact O-N 3.04Å; D59-K63 WeakPolarHBondContact O-CB 3.07Å; D59-K63 PolarHBondContact O-N 2.98Å; D59-F272 VanDerWaalsContact C-CZ 3.43Å; D59-F272 HydrophobicContact CB-CD1 3.91Å; D59-F272 HydrophobicContact CB-CE1 3.64Å; D59-F272 HydrophobicContact CB-CE2 4.28Å; D59-F272 HydrophobicContact CB-CG 4.35Å; D59-F272 HydrophobicContact CB-CZ 3.86Å; D59-F272 WeakPolarHBondContact O-CZ 3.2Å
60	M	98.4	Very high	97.9	Very high	0 Å²	0	61 Å²	61	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.7	-44	173.9	-169.3	63.2	-178	0	0	111.9	Y53 C56 E57 H58 K62 K63 V64 F68 H141 F145 L271 F272	Y53-M60 HydrophobicContact CD1-CB 3.97Å; Y53-M60 HydrophobicContact CD1-CG 3.6Å; Y53-M60 HydrophobicContact CD1-SD 4.3Å; Y53-M60 HydrophobicContact CE1-CB 4.43Å; Y53-M60 HydrophobicContact CE1-CE 3.77Å; Y53-M60 HydrophobicContact CE1-CG 3.57Å; Y53-M60 HydrophobicContact CE1-SD 3.86Å; Y53-M60 HydrophobicContact CG-CG 4.47Å; C56-M60 VanDerWaalsContact O-CB 3.32Å; C56-M60 WeakPolarHBondContact O-CB 3.38Å; C56-M60 PolarHBondContact O-N 3.29Å; E57-M60 PolarHBondContact O-N 3.15Å; H58-M60 VanDerWaalsContact C-N 3.32Å; H58-M60 PolarHBondContact O-N 3.22Å; M60-K62 VanDerWaalsContact C-N 3.32Å; M60-K62 PolarHBondContact O-N 3Å; M60-K63 PolarHBondContact O-N 3.06Å; M60-V64 HydrophobicContact CE-CG2 3.88Å; M60-V64 HydrophobicContact CG-CG2 4.31Å; M60-V64 WeakPolarHBondContact O-CB 3.3Å; M60-V64 VanDerWaalsContact O-CG2 3.26Å; M60-V64 WeakPolarHBondContact O-CG2 3.5Å; M60-V64 PolarHBondContact O-N 3.32Å; M60-V64 HydrophobicContact SD-CG2 4.47Å; M60-F68 HydrophobicContact CE-CD2 4.06Å; M60-F68 HydrophobicContact CE-CE2 3.82Å; M60-F68 HydrophobicContact SD-CE2 4.17Å; M60-H141 HydrophobicContact CE-CB 3.77Å; M60-F145 HydrophobicContact CB-CD2 3.84Å; M60-F145 HydrophobicContact CB-CE2 3.71Å; M60-F145 HydrophobicContact CB-CZ 4.28Å; M60-F145 HydrophobicContact CE-CB 4.18Å; M60-F145 HydrophobicContact CG-CB 4.15Å; M60-F145 HydrophobicContact CG-CD1 4.4Å; M60-F145 HydrophobicContact CG-CD2 3.34Å; M60-F145 HydrophobicContact CG-CE2 3.77Å; M60-F145 HydrophobicContact CG-CG 3.7Å; M60-F145 HydrophobicContact CG-CZ 4.45Å; M60-L271 HydrophobicContact CE-CD1 3.92Å; M60-L271 HydrophobicContact SD-CD1 3.76Å; M60-F272 HydrophobicContact CB-CE2 3.91Å; M60-F272 HydrophobicContact CB-CZ 4.12Å; M60-F272 HydrophobicContact SD-CE2 3.98Å; M60-F272 HydrophobicContact SD-CZ 4.07Å
61	E	98.6	Very high	97.9	Very high	28 Å²	28	64.1 Å²	64.1	13%	0.131	30%	0.299	C	S	.	.	H	α-helix	trans	-58.7	-45.4	176.5	-171.7	171.7	175.5	0	0	111	E57 H58 V64 K65 K102 F145	E57-E61 VanDerWaalsContact O-CB 3.32Å; E57-E61 WeakPolarHBondContact O-CB 3.16Å; E57-E61 PolarHBondContact O-N 3.46Å; H58-E61 PolarHBondContact O-N 3.39Å; E61-V64 PolarHBondContact O-N 3.14Å; E61-K65 HydrophobicContact CG-CD 4.34Å; E61-K65 WeakPolarHBondContact O-CG 3.4Å; E61-K65 PolarHBondContact O-N 3.29Å; E61-K65 WeakPolarHBondContact OE1-CE 3.38Å; E61-K65 IonicContact OE1-NZ 2.78Å; E61-K65 PolarHBondContact OE1-NZ 3.06Å; E61-K102 IonicContact OE1-NZ 2.88Å; E61-K102 PolarHBondContact OE1-NZ 3.46Å; E61-K102 IonicContact OE2-NZ 3.26Å; E61-K102 PolarHBondContact OE2-NZ 3.01Å; E61-F145 HydrophobicContact CB-CE1 3.73Å; E61-F145 HydrophobicContact CB-CZ 3.76Å; E61-F145 HydrophobicContact CG-CE1 4.13Å
62	K	98.5	Very high	97.9	Very high	109 Å²	109	64.4 Å²	64.4	47%	0.474	30%	0.3	S	S	.	.	H	α-helix	trans	-58.1	-52.6	174.6	-178.2	177.3	-177.6	-178.9	0	111.4	H58 M60 V64 K65 E66	H58-K62 WeakPolarHBondContact O-CB 3.48Å; H58-K62 PolarHBondContact O-N 2.97Å; M60-K62 VanDerWaalsContact C-N 3.32Å; M60-K62 PolarHBondContact O-N 3Å; K62-V64 VanDerWaalsContact C-N 3.28Å; K62-V64 PolarHBondContact O-N 2.87Å; K62-K65 PolarHBondContact O-N 3.45Å; K62-K65 VanDerWaalsContact O-N 3.16Å; K62-E66 VanDerWaalsContact CE-CD 3.47Å; K62-E66 WeakPolarHBondContact CE-OE1 3.45Å; K62-E66 WeakPolarHBondContact CE-OE2 3.46Å; K62-E66 HydrophobicContact CG-CG 4.32Å; K62-E66 WeakPolarHBondContact CG-OE1 3.48Å; K62-E66 IonicContact NZ-OE1 3.9Å; K62-E66 WeakPolarHBondContact O-CB 3.4Å; K62-E66 WeakPolarHBondContact O-CG 3.38Å; K62-E66 PolarHBondContact O-N 3.05Å
63	K	98.2	Very high	97.9	Very high	58 Å²	58	64.3 Å²	64.3	25%	0.252	30%	0.299	S	S	.	.	H	α-helix	trans	-62.9	-33.6	-179.6	-166.5	171.8	-173.4	168.2	0	113	D59 M60 K67 F68 F272	D59-K63 WeakPolarHBondContact O-CB 3.07Å; D59-K63 PolarHBondContact O-N 2.98Å; M60-K63 PolarHBondContact O-N 3.06Å; K63-K67 WeakPolarHBondContact O-CB 3.43Å; K63-K67 PolarHBondContact O-N 3.49Å; K63-F68 HydrophobicContact CB-CE2 4.34Å; K63-F68 HydrophobicContact CD-CE2 3.74Å; K63-F68 HydrophobicContact CD-CZ 4Å; K63-F68 HydrophobicContact CG-CD2 4.09Å; K63-F68 HydrophobicContact CG-CE2 3.64Å; K63-F68 HydrophobicContact CG-CZ 4.14Å; K63-F68 PolarHBondContact O-N 2.9Å; K63-F68 VanDerWaalsContact O-N 3.17Å; K63-F272 HydrophobicContact CB-CZ 4.3Å; K63-F272 HydrophobicContact CD-CE1 3.93Å; K63-F272 HydrophobicContact CD-CZ 3.92Å
64	V	98.4	Very high	97.9	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	33%	0.326	C	S	.	.	I	π-helix	trans	-64.1	-49.1	173.8	165.3	0	0	0	0	110.8	M60 E61 K62 F68 L69 T142 F145 Y146	M60-V64 HydrophobicContact CE-CG2 3.88Å; M60-V64 HydrophobicContact CG-CG2 4.31Å; M60-V64 WeakPolarHBondContact O-CB 3.3Å; M60-V64 VanDerWaalsContact O-CG2 3.26Å; M60-V64 WeakPolarHBondContact O-CG2 3.5Å; M60-V64 PolarHBondContact O-N 3.32Å; M60-V64 HydrophobicContact SD-CG2 4.47Å; E61-V64 PolarHBondContact O-N 3.14Å; K62-V64 VanDerWaalsContact C-N 3.28Å; K62-V64 PolarHBondContact O-N 2.87Å; V64-F68 HydrophobicContact CG2-CD2 3.94Å; V64-F68 PolarHBondContact O-N 2.59Å; V64-L69 WeakPolarHBondContact O-CB 3.27Å; V64-L69 PolarHBondContact O-N 3.1Å; V64-T142 HydrophobicContact CG1-CG2 3.75Å; V64-F145 HydrophobicContact CG2-CB 4.24Å; V64-F145 HydrophobicContact CG2-CD1 4.05Å; V64-F145 HydrophobicContact CG2-CG 4.31Å; V64-Y146 HydrophobicContact CG1-CD2 4.37Å; V64-Y146 HydrophobicContact CG1-CE2 3.52Å
65	K	98.1	Very high	98	Very high	111 Å²	111	73 Å²	73	48%	0.483	34%	0.338	S	S	.	.	I	π-helix	trans	-65.4	-44.4	-179.6	-70.7	175.4	-175.9	171.6	0	112.4	E61 K62	E61-K65 HydrophobicContact CG-CD 4.34Å; E61-K65 WeakPolarHBondContact O-CG 3.4Å; E61-K65 PolarHBondContact O-N 3.29Å; E61-K65 WeakPolarHBondContact OE1-CE 3.38Å; E61-K65 IonicContact OE1-NZ 2.78Å; E61-K65 PolarHBondContact OE1-NZ 3.06Å; K62-K65 PolarHBondContact O-N 3.45Å; K62-K65 VanDerWaalsContact O-N 3.16Å
66	E	97.8	Very high	98	Very high	139 Å²	139	65.1 Å²	65.1	65%	0.65	31%	0.306	S	S	*	.	I	π-helix	trans	-77.7	-29.4	-175.2	-68.6	175	168.8	0	0	113.4	K62	K62-E66 VanDerWaalsContact CE-CD 3.47Å; K62-E66 WeakPolarHBondContact CE-OE1 3.45Å; K62-E66 WeakPolarHBondContact CE-OE2 3.46Å; K62-E66 HydrophobicContact CG-CG 4.32Å; K62-E66 WeakPolarHBondContact CG-OE1 3.48Å; K62-E66 IonicContact NZ-OE1 3.9Å; K62-E66 WeakPolarHBondContact O-CB 3.4Å; K62-E66 WeakPolarHBondContact O-CG 3.38Å; K62-E66 PolarHBondContact O-N 3.05Å
67	K	97	Very high	98	Very high	118 Å²	118	71.9 Å²	71.9	51%	0.513	33%	0.334	S	S	.	.	I	π-helix	trans	-135.3	-55.1	-168.8	-171.2	173.7	-177.3	168	0	114.5	K63 N71	K63-K67 WeakPolarHBondContact O-CB 3.43Å; K63-K67 PolarHBondContact O-N 3.49Å; K67-N71 WeakPolarHBondContact CG-ND2 3.49Å; K67-N71 WeakPolarHBondContact O-CB 3.38Å; K67-N71 VanDerWaalsContact O-CG 3.32Å; K67-N71 PolarHBondContact O-N 3.45Å; K67-N71 PolarHBondContact O-ND2 3.22Å
68	F	98.4	Very high	98	Very high	25 Å²	25	70.9 Å²	70.9	11%	0.11	33%	0.332	C	S	.	.	I	π-helix	trans	-69.9	-47.5	-166.3	-65	-51.1	0	0	0	112.8	M60 K63 V64 Q70 N71 E72 H141 L271	M60-F68 HydrophobicContact CE-CD2 4.06Å; M60-F68 HydrophobicContact CE-CE2 3.82Å; M60-F68 HydrophobicContact SD-CE2 4.17Å; K63-F68 HydrophobicContact CB-CE2 4.34Å; K63-F68 HydrophobicContact CD-CE2 3.74Å; K63-F68 HydrophobicContact CD-CZ 4Å; K63-F68 HydrophobicContact CG-CD2 4.09Å; K63-F68 HydrophobicContact CG-CE2 3.64Å; K63-F68 HydrophobicContact CG-CZ 4.14Å; K63-F68 PolarHBondContact O-N 2.9Å; K63-F68 VanDerWaalsContact O-N 3.17Å; V64-F68 HydrophobicContact CG2-CD2 3.94Å; V64-F68 PolarHBondContact O-N 2.59Å; F68-Q70 PolarHBondContact O-N 3.34Å; F68-N71 PolarHBondContact O-N 2.85Å; F68-E72 WeakPolarHBondContact O-CB 3.45Å; F68-E72 WeakPolarHBondContact O-CG 3.37Å; F68-E72 PolarHBondContact O-N 3.38Å; F68-H141 HydrophobicContact CB-CB 4.08Å; F68-H141 HydrophobicContact CD1-CB 4.13Å; F68-H141 AromaticContact CD1-CD2 3.73Å; F68-H141 HydrophobicContact CD2-CB 3.53Å; F68-H141 AromaticContact CD2-CG 4Å; F68-H141 HydrophobicContact CE1-CB 4.42Å; F68-H141 AromaticContact CE1-CD2 3.46Å; F68-H141 VanDerWaalsContact CE1-CD2 3.46Å; F68-H141 WeakPolarHBondContact CE1-CD2 3.21Å; F68-H141 AromaticContact CE1-NE2 3.98Å; F68-H141 HydrophobicContact CE2-CB 3.85Å; F68-H141 AromaticContact CE2-CG 3.82Å; F68-H141 HydrophobicContact CG-CB 3.68Å; F68-H141 HydrophobicContact CZ-CB 4.28Å; F68-H141 AromaticContact CZ-CD2 3.65Å; F68-H141 AromaticContact CZ-CG 3.82Å; F68-H141 AromaticContact CZ-NE2 3.98Å; F68-L271 HydrophobicContact CE2-CD1 3.79Å; F68-L271 HydrophobicContact CZ-CD1 3.78Å
69	L	98.4	Very high	98	Very high	37 Å²	37	64.3 Å²	64.3	19%	0.194	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-52.5	-172.9	172.1	59.6	0	0	0	112.1	V64 N71 E72 K73 F79 W83 T142	V64-L69 WeakPolarHBondContact O-CB 3.27Å; V64-L69 PolarHBondContact O-N 3.1Å; L69-N71 PolarHBondContact O-N 2.79Å; L69-E72 PolarHBondContact O-N 3.5Å; L69-K73 HydrophobicContact CD1-CD 4.01Å; L69-K73 HydrophobicContact CD1-CG 4.09Å; L69-K73 HydrophobicContact CG-CD 4.44Å; L69-K73 WeakPolarHBondContact O-CG 3.38Å; L69-K73 PolarHBondContact O-N 2.57Å; L69-F79 HydrophobicContact CD1-CE1 4.12Å; L69-W83 HydrophobicContact CD1-CD2 4.01Å; L69-W83 HydrophobicContact CD1-CG 4.14Å; L69-W83 HydrophobicContact CD1-CZ2 4.12Å; L69-T142 WeakPolarHBondContact CA-OG1 3.46Å; L69-T142 HydrophobicContact CB-CG2 4.21Å; L69-T142 HydrophobicContact CD1-CG2 3.91Å; L69-T142 PolarHBondContact N-OG1 3.28Å
70	Q	98.1	Very high	98.1	Very high	107 Å²	107	64.4 Å²	64.4	50%	0.5	30%	0.3	S	S	.	.	H	α-helix	trans	-65.3	-40.8	-178.4	-169.6	59.5	43.7	0	0	112.1	F68 E72 K73 N74	F68-Q70 PolarHBondContact O-N 3.34Å; Q70-E72 PolarHBondContact O-N 2.7Å; Q70-K73 PolarHBondContact O-N 3.18Å; Q70-N74 PolarHBondContact NE2-OD1 3.4Å; Q70-N74 WeakPolarHBondContact O-CB 3.17Å; Q70-N74 PolarHBondContact O-N 3.41Å; Q70-N74 PolarHBondContact O-OD1 2.8Å
71	N	98.1	Very high	98.1	Very high	64 Å²	64	68.4 Å²	68.4	34%	0.342	32%	0.318	S	S	.	.	H	α-helix	trans	-64.6	-38.8	177.8	-77.9	-44.3	0	0	0	112.6	K67 F68 L69 N74 K75	K67-N71 WeakPolarHBondContact CG-ND2 3.49Å; K67-N71 WeakPolarHBondContact O-CB 3.38Å; K67-N71 VanDerWaalsContact O-CG 3.32Å; K67-N71 PolarHBondContact O-N 3.45Å; K67-N71 PolarHBondContact O-ND2 3.22Å; F68-N71 PolarHBondContact O-N 2.85Å; L69-N71 PolarHBondContact O-N 2.79Å; N71-N74 PolarHBondContact O-N 3.05Å; N71-K75 WeakPolarHBondContact O-CB 3.46Å; N71-K75 VanDerWaalsContact O-CG 3.27Å; N71-K75 WeakPolarHBondContact O-CG 3.36Å; N71-K75 PolarHBondContact O-N 3.22Å; N71-K75 VanDerWaalsContact O-N 3.08Å
72	E	98.4	Very high	98.1	Very high	7 Å²	7	67 Å²	67	3%	0.033	31%	0.312	C	S	.	.	H	α-helix	trans	-71.9	-39.2	179.7	-68.5	174.4	167.9	0	0	111.3	F68 L69 Q70 K75 S76 F79 Q139 Y140 H141 T142	F68-E72 WeakPolarHBondContact O-CB 3.45Å; F68-E72 WeakPolarHBondContact O-CG 3.37Å; F68-E72 PolarHBondContact O-N 3.38Å; L69-E72 PolarHBondContact O-N 3.5Å; Q70-E72 PolarHBondContact O-N 2.7Å; E72-K75 PolarHBondContact O-N 2.91Å; E72-S76 PolarHBondContact O-N 3.12Å; E72-S76 VanDerWaalsContact O-N 3.08Å; E72-F79 HydrophobicContact CB-CD1 4.27Å; E72-F79 HydrophobicContact CB-CE1 4.22Å; E72-F79 HydrophobicContact CB-CZ 4.42Å; E72-Q139 VanDerWaalsContact CD-C 3.42Å; E72-Q139 WeakPolarHBondContact CG-O 3.42Å; E72-Y140 WeakPolarHBondContact OE1-CA 3.37Å; E72-Y140 PolarHBondContact OE1-N 2.97Å; E72-Y140 VanDerWaalsContact OE1-N 3.15Å; E72-H141 WeakPolarHBondContact OE1-CB 3.22Å; E72-H141 IonicContact OE1-CD2 2.97Å; E72-H141 PolarHBondContact OE1-N 2.94Å; E72-T142 WeakPolarHBondContact OE2-CB 3.39Å; E72-T142 PolarHBondContact OE2-N 2.87Å; E72-T142 PolarHBondContact OE2-OG1 3.42Å
73	K	98.3	Very high	98.1	Very high	33 Å²	33	62.3 Å²	62.3	14%	0.143	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-45.7	169.7	-70.7	-174.9	77.5	171.5	0	111.7	L69 Q70 K75 F79 Q80 D84	L69-K73 HydrophobicContact CD1-CD 4.01Å; L69-K73 HydrophobicContact CD1-CG 4.09Å; L69-K73 HydrophobicContact CG-CD 4.44Å; L69-K73 WeakPolarHBondContact O-CG 3.38Å; L69-K73 PolarHBondContact O-N 2.57Å; Q70-K73 PolarHBondContact O-N 3.18Å; K73-K75 VanDerWaalsContact C-N 3.31Å; K73-K75 PolarHBondContact O-N 2.92Å; K73-F79 HydrophobicContact CG-CD1 4.1Å; K73-F79 HydrophobicContact CG-CE1 4.23Å; K73-Q80 HydrophobicContact CB-CB 4.27Å; K73-Q80 HydrophobicContact CB-CG 4.35Å; K73-D84 VanDerWaalsContact CE-OD1 3.3Å; K73-D84 WeakPolarHBondContact CE-OD1 3.46Å; K73-D84 IonicContact NZ-OD1 2.86Å; K73-D84 PolarHBondContact NZ-OD1 3.02Å
74	N	98	Very high	98.1	Very high	107 Å²	107	62.6 Å²	62.6	57%	0.572	30%	0.295	S	S	*	.	H	α-helix	trans	-67.3	-30.7	-178.7	-69.6	-4.8	0	0	0	113	Q70 N71	Q70-N74 PolarHBondContact NE2-OD1 3.4Å; Q70-N74 WeakPolarHBondContact O-CB 3.17Å; Q70-N74 PolarHBondContact O-N 3.41Å; Q70-N74 PolarHBondContact O-OD1 2.8Å; N71-N74 PolarHBondContact O-N 3.05Å
75	K	97	Very high	98.1	Very high	141 Å²	141	67.1 Å²	67.1	61%	0.613	32%	0.315	S	S	*	.	H	α-helix	trans	-88.8	-24.6	-176.3	-73.9	176.5	-178.4	178.8	0	114.2	N71 E72 K73	N71-K75 WeakPolarHBondContact O-CB 3.46Å; N71-K75 VanDerWaalsContact O-CG 3.27Å; N71-K75 WeakPolarHBondContact O-CG 3.36Å; N71-K75 PolarHBondContact O-N 3.22Å; N71-K75 VanDerWaalsContact O-N 3.08Å; E72-K75 PolarHBondContact O-N 2.91Å; K73-K75 VanDerWaalsContact C-N 3.31Å; K73-K75 PolarHBondContact O-N 2.92Å
76	S	97.4	Very high	98.1	Very high	13 Å²	13	61.9 Å²	61.9	9%	0.091	29%	0.292	C	S	.	.			trans	-132.6	110.5	-176.1	176.7	0	0	0	0	111.6	E72 T78 F79 Q80	E72-S76 PolarHBondContact O-N 3.12Å; E72-S76 VanDerWaalsContact O-N 3.08Å; S76-T78 VanDerWaalsContact C-N 3.27Å; S76-T78 PolarHBondContact O-N 3.46Å; S76-F79 PolarHBondContact O-N 3.3Å; S76-F79 VanDerWaalsContact O-N 3.14Å; S76-F79 PolarHBondContact OG-N 3.06Å; S76-F79 VanDerWaalsContact OG-N 3.13Å; S76-Q80 WeakPolarHBondContact O-CB 3.15Å; S76-Q80 PolarHBondContact O-N 3.23Å
77	K	97.2	Very high	98.2	Very high	150 Å²	150	57.7 Å²	57.7	65%	0.652	27%	0.273	S	S	*	.	H	α-helix	trans	-58.2	-39.7	172.5	-172.1	174.6	-177.5	175.6	0	111.8	Q80 Q81	K77-Q80 PolarHBondContact O-N 3.41Å; K77-Q81 HydrophobicContact CG-CG 4.33Å; K77-Q81 WeakPolarHBondContact O-CB 3.03Å; K77-Q81 VanDerWaalsContact O-CG 3.24Å; K77-Q81 WeakPolarHBondContact O-CG 3.2Å; K77-Q81 PolarHBondContact O-N 3.47Å
78	T	97.9	Very high	98.2	Very high	32 Å²	32	59.3 Å²	59.3	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-57.8	-48.6	174.4	-55.2	0	0	0	0	110.8	S76 A82 P117 L119 E122	S76-T78 VanDerWaalsContact C-N 3.27Å; S76-T78 PolarHBondContact O-N 3.46Å; T78-A82 WeakPolarHBondContact O-CB 3.35Å; T78-A82 PolarHBondContact O-N 2.61Å; T78-A82 VanDerWaalsContact O-N 3.09Å; T78-P117 HydrophobicContact CG2-CB 3.83Å; T78-P117 HydrophobicContact CG2-CG 4.26Å; T78-P117 VanDerWaalsContact O-CG 3.28Å; T78-P117 WeakPolarHBondContact O-CG 3.35Å; T78-L119 HydrophobicContact CG2-CB 4.44Å; T78-L119 HydrophobicContact CG2-CD1 4.14Å; T78-E122 PolarHBondContact OG1-OE1 3.5Å
79	F	98.5	Very high	98.2	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-49.9	178.9	-171.6	-80.2	0	0	0	111.3	L69 E72 K73 S76 Q81 A82 W83 L119 Y140 T142 L143	L69-F79 HydrophobicContact CD1-CE1 4.12Å; E72-F79 HydrophobicContact CB-CD1 4.27Å; E72-F79 HydrophobicContact CB-CE1 4.22Å; E72-F79 HydrophobicContact CB-CZ 4.42Å; K73-F79 HydrophobicContact CG-CD1 4.1Å; K73-F79 HydrophobicContact CG-CE1 4.23Å; S76-F79 PolarHBondContact O-N 3.3Å; S76-F79 VanDerWaalsContact O-N 3.14Å; S76-F79 PolarHBondContact OG-N 3.06Å; S76-F79 VanDerWaalsContact OG-N 3.13Å; F79-Q81 PolarHBondContact O-N 3.46Å; F79-A82 PolarHBondContact O-N 3.37Å; F79-W83 HydrophobicContact CD1-CB 4.44Å; F79-W83 HydrophobicContact CE1-CB 4.24Å; F79-W83 HydrophobicContact CE1-CD2 4.24Å; F79-W83 HydrophobicContact CE1-CE3 4.16Å; F79-W83 HydrophobicContact CE1-CG 4.29Å; F79-W83 HydrophobicContact CZ-CD2 4.48Å; F79-W83 AromaticContact CZ-CE3 3.99Å; F79-W83 HydrophobicContact CZ-CE3 3.99Å; F79-W83 HydrophobicContact CZ-CZ3 4.47Å; F79-W83 WeakPolarHBondContact O-CB 3.16Å; F79-W83 PolarHBondContact O-N 2.85Å; F79-L119 HydrophobicContact CB-CD1 4.32Å; F79-L119 HydrophobicContact CD2-CD1 4.12Å; F79-L119 HydrophobicContact CD2-CD2 3.98Å; F79-L119 HydrophobicContact CE2-CD2 4.4Å; F79-Y140 AromaticContact CD2-CD1 3.88Å; F79-Y140 HydrophobicContact CD2-CD1 3.88Å; F79-Y140 HydrophobicContact CD2-CE1 4.2Å; F79-Y140 HydrophobicContact CE2-CD1 4.28Å; F79-T142 HydrophobicContact CZ-CG2 4.2Å; F79-L143 HydrophobicContact CE2-CB 3.92Å
80	Q	98.6	Very high	98.2	Very high	74 Å²	74	59.6 Å²	59.6	35%	0.346	28%	0.278	S	S	.	.	H	α-helix	trans	-54.5	-52.4	179.3	-177.5	-178.5	33.6	0	0	111.5	K73 S76 K77 A82 W83 D84	K73-Q80 HydrophobicContact CB-CB 4.27Å; K73-Q80 HydrophobicContact CB-CG 4.35Å; S76-Q80 WeakPolarHBondContact O-CB 3.15Å; S76-Q80 PolarHBondContact O-N 3.23Å; K77-Q80 PolarHBondContact O-N 3.41Å; Q80-A82 PolarHBondContact O-N 3.46Å; Q80-W83 PolarHBondContact O-N 3.42Å; Q80-D84 WeakPolarHBondContact CG-OD2 3.06Å; Q80-D84 WeakPolarHBondContact O-CB 2.96Å; Q80-D84 PolarHBondContact O-N 3.49Å
81	Q	98.6	Very high	98.2	Very high	83 Å²	83	59.9 Å²	59.9	39%	0.388	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-40.9	-179.7	-73.6	177.9	-20.8	0	0	112.8	K77 F79 K85 P117	K77-Q81 HydrophobicContact CG-CG 4.33Å; K77-Q81 WeakPolarHBondContact O-CB 3.03Å; K77-Q81 VanDerWaalsContact O-CG 3.24Å; K77-Q81 WeakPolarHBondContact O-CG 3.2Å; K77-Q81 PolarHBondContact O-N 3.47Å; F79-Q81 PolarHBondContact O-N 3.46Å; Q81-K85 WeakPolarHBondContact O-CB 3.27Å; Q81-K85 WeakPolarHBondContact O-CG 3.21Å; Q81-K85 PolarHBondContact O-N 2.03Å; Q81-K85 VanDerWaalsContact O-N 3.09Å; Q81-P117 HydrophobicContact CB-CG 3.93Å
82	A	98.7	Very high	98.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-44.7	175.4	0	0	0	0	0	111.4	T78 F79 Q80 K85 A86 A111 L114 P117 L119	T78-A82 WeakPolarHBondContact O-CB 3.35Å; T78-A82 PolarHBondContact O-N 2.61Å; T78-A82 VanDerWaalsContact O-N 3.09Å; F79-A82 PolarHBondContact O-N 3.37Å; Q80-A82 PolarHBondContact O-N 3.46Å; A82-K85 PolarHBondContact O-N 3.45Å; A82-A86 WeakPolarHBondContact O-CB 3.19Å; A82-A86 PolarHBondContact O-N 3.29Å; A82-A111 HydrophobicContact CB-CB 4.22Å; A82-L114 HydrophobicContact CB-CD1 4.03Å; A82-P117 HydrophobicContact CB-CG 3.9Å; A82-L119 HydrophobicContact CB-CB 4.02Å; A82-L119 HydrophobicContact CB-CD2 3.68Å; A82-L119 HydrophobicContact CB-CG 4.45Å
83	W	98.7	Very high	98	Very high	9 Å²	9	64.2 Å²	64.2	3%	0.034	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-40.5	-178.6	-159.8	-95.6	0	0	0	112.1	L69 F79 Q80 A86 E87 M107 A108 T142 Y146	L69-W83 HydrophobicContact CD1-CD2 4.01Å; L69-W83 HydrophobicContact CD1-CG 4.14Å; L69-W83 HydrophobicContact CD1-CZ2 4.12Å; F79-W83 HydrophobicContact CD1-CB 4.44Å; F79-W83 HydrophobicContact CE1-CB 4.24Å; F79-W83 HydrophobicContact CE1-CD2 4.24Å; F79-W83 HydrophobicContact CE1-CE3 4.16Å; F79-W83 HydrophobicContact CE1-CG 4.29Å; F79-W83 HydrophobicContact CZ-CD2 4.48Å; F79-W83 AromaticContact CZ-CE3 3.99Å; F79-W83 HydrophobicContact CZ-CE3 3.99Å; F79-W83 HydrophobicContact CZ-CZ3 4.47Å; F79-W83 WeakPolarHBondContact O-CB 3.16Å; F79-W83 PolarHBondContact O-N 2.85Å; Q80-W83 PolarHBondContact O-N 3.42Å; W83-A86 PolarHBondContact O-N 3.43Å; W83-E87 PolarHBondContact O-N 2.84Å; W83-M107 HydrophobicContact CD2-CE 4.16Å; W83-M107 HydrophobicContact CG-CE 4.31Å; W83-M107 HydrophobicContact CH2-CB 4.47Å; W83-M107 HydrophobicContact CZ2-CE 3.9Å; W83-M107 VanDerWaalsContact NE1-CE 3.29Å; W83-A108 HydrophobicContact CH2-CB 4.44Å; W83-A108 HydrophobicContact CZ3-CB 4.27Å; W83-T142 HydrophobicContact CH2-CG2 3.78Å; W83-T142 HydrophobicContact CZ2-CG2 4.07Å; W83-T142 HydrophobicContact CZ3-CG2 4.12Å; W83-Y146 AromaticContact CH2-CD2 3.84Å; W83-Y146 HydrophobicContact CH2-CD2 3.84Å; W83-Y146 HydrophobicContact CH2-CE2 4.34Å; W83-Y146 HydrophobicContact CZ2-CD2 4.46Å
84	D	98.6	Very high	97.9	Very high	64 Å²	64	63.7 Å²	63.7	34%	0.342	30%	0.304	S	S	.	.	H	α-helix	trans	-67.2	-39.7	177	-64.9	-19.9	0	0	0	111.4	K73 Q80 A86 E87 K88	K73-D84 VanDerWaalsContact CE-OD1 3.3Å; K73-D84 WeakPolarHBondContact CE-OD1 3.46Å; K73-D84 IonicContact NZ-OD1 2.86Å; K73-D84 PolarHBondContact NZ-OD1 3.02Å; Q80-D84 WeakPolarHBondContact CG-OD2 3.06Å; Q80-D84 WeakPolarHBondContact O-CB 2.96Å; Q80-D84 PolarHBondContact O-N 3.49Å; D84-A86 VanDerWaalsContact C-N 3.34Å; D84-E87 PolarHBondContact O-N 2.96Å; D84-K88 PolarHBondContact O-N 2.72Å
85	K	98.6	Very high	97.7	Very high	96 Å²	96	65 Å²	65	42%	0.417	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-41.9	171.7	-77.4	-175.3	-178.7	-166.7	0	112.1	Q81 A82 E87 K88 Y89 L114 V116	Q81-K85 WeakPolarHBondContact O-CB 3.27Å; Q81-K85 WeakPolarHBondContact O-CG 3.21Å; Q81-K85 PolarHBondContact O-N 2.03Å; Q81-K85 VanDerWaalsContact O-N 3.09Å; A82-K85 PolarHBondContact O-N 3.45Å; K85-E87 VanDerWaalsContact C-N 3.34Å; K85-K88 PolarHBondContact O-N 3.25Å; K85-Y89 PolarHBondContact O-N 2.88Å; K85-L114 HydrophobicContact CB-CD1 4.05Å; K85-L114 HydrophobicContact CD-CD1 4.21Å; K85-V116 PolarHBondContact NZ-O 2.74Å
86	A	98.6	Very high	97.6	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66	-37.1	177.4	0	0	0	0	0	112.4	A82 W83 D84 Y89 Y90 M107 Y110 A111	A82-A86 WeakPolarHBondContact O-CB 3.19Å; A82-A86 PolarHBondContact O-N 3.29Å; W83-A86 PolarHBondContact O-N 3.43Å; D84-A86 VanDerWaalsContact C-N 3.34Å; A86-Y89 PolarHBondContact O-N 3.39Å; A86-Y90 PolarHBondContact O-N 3.5Å; A86-M107 HydrophobicContact CB-CB 3.92Å; A86-M107 HydrophobicContact CB-CG 4.31Å; A86-M107 WeakPolarHBondContact CB-O 3.4Å; A86-Y110 HydrophobicContact CB-CD1 3.99Å; A86-A111 HydrophobicContact CB-CB 3.99Å
87	E	98.6	Very high	97.4	Very high	52 Å²	52	70.3 Å²	70.3	24%	0.243	34%	0.337	C	S	.	.	H	α-helix	trans	-64.1	-43.4	173.4	-175.4	167.7	-144.1	0	0	111.7	W83 D84 K85 Y89 Y90 K91 K103 M107	W83-E87 PolarHBondContact O-N 2.84Å; D84-E87 PolarHBondContact O-N 2.96Å; K85-E87 VanDerWaalsContact C-N 3.34Å; E87-Y89 VanDerWaalsContact C-N 3.33Å; E87-Y89 PolarHBondContact O-N 3.06Å; E87-Y90 PolarHBondContact O-N 2.98Å; E87-K91 VanDerWaalsContact CD-NZ 3.27Å; E87-K91 HydrophobicContact CG-CD 4.09Å; E87-K91 HydrophobicContact CG-CG 4.47Å; E87-K91 WeakPolarHBondContact O-CG 3.34Å; E87-K91 PolarHBondContact O-N 2.9Å; E87-K91 WeakPolarHBondContact OE1-CE 3.3Å; E87-K91 IonicContact OE1-NZ 3.87Å; E87-K91 PolarHBondContact OE1-NZ 2.92Å; E87-K91 IonicContact OE2-NZ 3.32Å; E87-K91 PolarHBondContact OE2-NZ 3.43Å; E87-K103 IonicContact OE1-NZ 3.26Å; E87-K103 PolarHBondContact OE1-NZ 3.25Å; E87-M107 HydrophobicContact CB-CE 3.66Å; E87-M107 HydrophobicContact CB-SD 4.28Å; E87-M107 HydrophobicContact CG-CE 4.33Å
88	K	98.4	Very high	97.1	Very high	151 Å²	151	69.2 Å²	69.2	66%	0.657	35%	0.348	S	S	*	.	H	α-helix	trans	-58.2	-48	174.4	-175.6	176.7	179.6	177.6	0	110.8	D84 K85 Y90 K91 T92	D84-K88 PolarHBondContact O-N 2.72Å; K85-K88 PolarHBondContact O-N 3.25Å; K88-Y90 PolarHBondContact O-N 3.31Å; K88-K91 PolarHBondContact O-N 3.24Å; K88-T92 HydrophobicContact CG-CG2 4.41Å; K88-T92 WeakPolarHBondContact O-CG2 3.27Å; K88-T92 PolarHBondContact O-N 3.46Å; K88-T92 PolarHBondContact O-OG1 2.99Å
89	Y	97.8	Very high	96.9	Very high	23 Å²	23	69.5 Å²	69.5	9%	0.09	35%	0.35	C	S	.	.	H	α-helix	trans	-57.2	-45.3	177.6	170.3	-106	0	0	0	112.8	K85 A86 E87 T92 T93 W94 I106 Y110 E218	K85-Y89 PolarHBondContact O-N 2.88Å; A86-Y89 PolarHBondContact O-N 3.39Å; E87-Y89 VanDerWaalsContact C-N 3.33Å; E87-Y89 PolarHBondContact O-N 3.06Å; Y89-T92 PolarHBondContact O-N 3.02Å; Y89-T92 PolarHBondContact O-OG1 3.34Å; Y89-T93 WeakPolarHBondContact CD2-OG1 3.16Å; Y89-T93 HydrophobicContact CE2-CG2 3.99Å; Y89-T93 WeakPolarHBondContact O-CB 3.38Å; Y89-T93 PolarHBondContact O-N 3.36Å; Y89-T93 PolarHBondContact O-OG1 3.47Å; Y89-W94 AromaticContact CD1-CD1 3.99Å; Y89-W94 AromaticContact CE1-CD1 3.32Å; Y89-W94 AromaticContact CE1-NE1 3.22Å; Y89-W94 AromaticContact CZ-CD1 3.6Å; Y89-W94 AromaticContact CZ-NE1 3.15Å; Y89-W94 PolarHBondContact OH-NE1 2.85Å; Y89-I106 HydrophobicContact CD1-CG2 4.49Å; Y89-I106 HydrophobicContact CE1-CG2 4.12Å; Y89-Y110 HydrophobicContact CD1-CD1 4.02Å; Y89-Y110 AromaticContact CD1-CD2 3.34Å; Y89-Y110 HydrophobicContact CD1-CD2 3.34Å; Y89-Y110 HydrophobicContact CD1-CE1 4.45Å; Y89-Y110 AromaticContact CD1-CE2 3.87Å; Y89-Y110 HydrophobicContact CD1-CE2 3.87Å; Y89-Y110 AromaticContact CD1-CG 3.4Å; Y89-Y110 HydrophobicContact CD1-CG 3.4Å; Y89-Y110 VanDerWaalsContact CD1-CG 3.4Å; Y89-Y110 AromaticContact CD2-CD2 3.79Å; Y89-Y110 HydrophobicContact CD2-CD2 3.79Å; Y89-Y110 HydrophobicContact CD2-CE1 4.42Å; Y89-Y110 AromaticContact CD2-CE2 3.39Å; Y89-Y110 HydrophobicContact CD2-CE2 3.39Å; Y89-Y110 HydrophobicContact CD2-CG 4.43Å; Y89-Y110 AromaticContact CD2-CZ 3.74Å; Y89-Y110 AromaticContact CE1-CD2 3.38Å; Y89-Y110 HydrophobicContact CE1-CD2 3.38Å; Y89-Y110 HydrophobicContact CE1-CE2 4.03Å; Y89-Y110 AromaticContact CE1-CG 3.82Å; Y89-Y110 HydrophobicContact CE1-CG 3.82Å; Y89-Y110 AromaticContact CE2-CD2 3.83Å; Y89-Y110 HydrophobicContact CE2-CD2 3.83Å; Y89-Y110 AromaticContact CE2-CE2 3.58Å; Y89-Y110 HydrophobicContact CE2-CE2 3.58Å; Y89-Y110 AromaticContact CG-CD1 3.96Å; Y89-Y110 HydrophobicContact CG-CD1 3.96Å; Y89-Y110 AromaticContact CG-CD2 3.52Å; Y89-Y110 HydrophobicContact CG-CD2 3.52Å; Y89-Y110 AromaticContact CG-CE1 3.94Å; Y89-Y110 HydrophobicContact CG-CE1 3.94Å; Y89-Y110 AromaticContact CG-CE2 3.52Å; Y89-Y110 HydrophobicContact CG-CE2 3.52Å; Y89-Y110 AromaticContact CG-CG 3.73Å; Y89-Y110 HydrophobicContact CG-CG 3.73Å; Y89-Y110 AromaticContact CG-CZ 3.72Å; Y89-Y110 AromaticContact CZ-CD2 3.6Å; Y89-Y110 AromaticContact CZ-CE2 3.87Å; Y89-E218 PolarHBondContact OH-O 2.74Å
90	Y	98.3	Very high	96.7	Very high	45 Å²	45	74.6 Å²	74.6	18%	0.176	38%	0.383	C	S	.	.	I	π-helix	trans	-60.1	-49.9	175.4	175.5	-91.7	0	0	0	111.2	A86 E87 K88 T92 T93 W94 K95 K103 I106	A86-Y90 PolarHBondContact O-N 3.5Å; E87-Y90 PolarHBondContact O-N 2.98Å; K88-Y90 PolarHBondContact O-N 3.31Å; Y90-T92 VanDerWaalsContact C-N 3.28Å; Y90-T92 PolarHBondContact O-N 3.48Å; Y90-T93 PolarHBondContact O-N 2.95Å; Y90-W94 HydrophobicContact CD2-CB 3.73Å; Y90-W94 HydrophobicContact CE2-CB 4.02Å; Y90-W94 HydrophobicContact CG-CB 4.46Å; Y90-W94 CarbonylContact O-C 3.57Å; Y90-W94 PolarHBondContact O-N 3.28Å; Y90-K95 HydrophobicContact CE1-CB 4.25Å; Y90-K95 HydrophobicContact CE1-CG 4.46Å; Y90-K95 PolarHBondContact O-N 2.89Å; Y90-K103 HydrophobicContact CD1-CD 3.95Å; Y90-K103 HydrophobicContact CD1-CG 3.72Å; Y90-K103 HydrophobicContact CD2-CB 4.26Å; Y90-K103 HydrophobicContact CD2-CG 3.95Å; Y90-K103 HydrophobicContact CE1-CB 4.1Å; Y90-K103 HydrophobicContact CE1-CD 3.74Å; Y90-K103 HydrophobicContact CE1-CG 3.63Å; Y90-K103 HydrophobicContact CE2-CB 3.74Å; Y90-K103 HydrophobicContact CE2-CG 3.86Å; Y90-K103 HydrophobicContact CG-CG 3.88Å; Y90-I106 HydrophobicContact CD2-CB 4.31Å; Y90-I106 HydrophobicContact CD2-CD1 4.1Å; Y90-I106 HydrophobicContact CD2-CG2 4.27Å; Y90-I106 HydrophobicContact CE2-CD1 3.99Å
91	K	98.1	Very high	96.6	Very high	113 Å²	113	71.6 Å²	71.6	49%	0.491	37%	0.369	S	S	.	.	I	π-helix	trans	-58.7	-38.5	-178.2	-74.5	173.2	-178.9	167.1	0	112.5	E87 K88	E87-K91 VanDerWaalsContact CD-NZ 3.27Å; E87-K91 HydrophobicContact CG-CD 4.09Å; E87-K91 HydrophobicContact CG-CG 4.47Å; E87-K91 WeakPolarHBondContact O-CG 3.34Å; E87-K91 PolarHBondContact O-N 2.9Å; E87-K91 WeakPolarHBondContact OE1-CE 3.3Å; E87-K91 IonicContact OE1-NZ 3.87Å; E87-K91 PolarHBondContact OE1-NZ 2.92Å; E87-K91 IonicContact OE2-NZ 3.32Å; E87-K91 PolarHBondContact OE2-NZ 3.43Å; K88-K91 PolarHBondContact O-N 3.24Å
92	T	96.9	Very high	96.6	Very high	103 Å²	103	72.3 Å²	72.3	63%	0.632	37%	0.371	S	S	*	.	I	π-helix	trans	-86.1	-29.1	-177.4	59	0	0	0	0	113.9	K88 Y89 Y90	K88-T92 HydrophobicContact CG-CG2 4.41Å; K88-T92 WeakPolarHBondContact O-CG2 3.27Å; K88-T92 PolarHBondContact O-N 3.46Å; K88-T92 PolarHBondContact O-OG1 2.99Å; Y89-T92 PolarHBondContact O-N 3.02Å; Y89-T92 PolarHBondContact O-OG1 3.34Å; Y90-T92 VanDerWaalsContact C-N 3.28Å; Y90-T92 PolarHBondContact O-N 3.48Å
93	T	95.8	Very high	96.5	Very high	60 Å²	60	75.3 Å²	75.3	37%	0.368	38%	0.384	S	S	.	.	I	π-helix	trans	-116	-35.5	-166	-38	0	0	0	0	113	Y89 Y90 M97	Y89-T93 WeakPolarHBondContact CD2-OG1 3.16Å; Y89-T93 HydrophobicContact CE2-CG2 3.99Å; Y89-T93 WeakPolarHBondContact O-CB 3.38Å; Y89-T93 PolarHBondContact O-N 3.36Å; Y89-T93 PolarHBondContact O-OG1 3.47Å; Y90-T93 PolarHBondContact O-N 2.95Å; T93-M97 WeakPolarHBondContact O-CG 3.4Å
94	W	95.9	Very high	96.5	Very high	21 Å²	21	77.1 Å²	77.1	8%	0.08	39%	0.393	C	S	.	.	I	π-helix	trans	-118.2	-15.2	-168.3	-71.1	99.9	0	0	0	114.7	Y89 Y90 N96 M97 T99 I106 E218 F219	Y89-W94 AromaticContact CD1-CD1 3.99Å; Y89-W94 AromaticContact CE1-CD1 3.32Å; Y89-W94 AromaticContact CE1-NE1 3.22Å; Y89-W94 AromaticContact CZ-CD1 3.6Å; Y89-W94 AromaticContact CZ-NE1 3.15Å; Y89-W94 PolarHBondContact OH-NE1 2.85Å; Y90-W94 HydrophobicContact CD2-CB 3.73Å; Y90-W94 HydrophobicContact CE2-CB 4.02Å; Y90-W94 HydrophobicContact CG-CB 4.46Å; Y90-W94 CarbonylContact O-C 3.57Å; Y90-W94 PolarHBondContact O-N 3.28Å; W94-N96 PolarHBondContact O-N 2.87Å; W94-M97 HydrophobicContact CE3-CB 3.69Å; W94-M97 HydrophobicContact CE3-CG 4.23Å; W94-M97 HydrophobicContact CZ3-CB 4.21Å; W94-M97 PolarHBondContact O-N 3.39Å; W94-T99 HydrophobicContact CE3-CG2 4.13Å; W94-T99 HydrophobicContact CZ3-CG2 4.49Å; W94-I106 HydrophobicContact CB-CD1 4.16Å; W94-I106 HydrophobicContact CB-CG2 4.42Å; W94-I106 HydrophobicContact CD2-CD1 4.36Å; W94-I106 HydrophobicContact CD2-CG2 4.47Å; W94-I106 HydrophobicContact CE3-CD1 4.45Å; W94-I106 HydrophobicContact CG-CD1 4.24Å; W94-I106 HydrophobicContact CG-CG2 3.94Å; W94-E218 HydrophobicContact CH2-CB 4.4Å; W94-E218 HydrophobicContact CZ2-CB 4.38Å; W94-F219 HydrophobicContact CD2-CD1 4.41Å; W94-F219 HydrophobicContact CD2-CE1 4.29Å; W94-F219 AromaticContact CE2-CD1 3.77Å; W94-F219 AromaticContact CE2-CE1 3.95Å; W94-F219 HydrophobicContact CE3-CE1 4.17Å; W94-F219 AromaticContact CH2-CD1 3.91Å; W94-F219 HydrophobicContact CH2-CD1 3.91Å; W94-F219 AromaticContact CH2-CE1 3.39Å; W94-F219 HydrophobicContact CH2-CE1 3.39Å; W94-F219 HydrophobicContact CH2-CZ 4.08Å; W94-F219 AromaticContact CZ2-CD1 3.5Å; W94-F219 HydrophobicContact CZ2-CD1 3.5Å; W94-F219 VanDerWaalsContact CZ2-CD1 3.5Å; W94-F219 AromaticContact CZ2-CE1 3.5Å; W94-F219 HydrophobicContact CZ2-CE1 3.5Å; W94-F219 HydrophobicContact CZ2-CG 4.46Å; W94-F219 HydrophobicContact CZ2-CZ 4.47Å; W94-F219 AromaticContact CZ3-CE1 3.74Å; W94-F219 HydrophobicContact CZ3-CE1 3.74Å; W94-F219 HydrophobicContact CZ3-CZ 4.48Å
95	K	94	Very high	96.5	Very high	136 Å²	136	74.5 Å²	74.5	59%	0.591	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-36.9	-175.7	-174.1	-175.8	175.5	-170.9	0	113.5	Y90	Y90-K95 HydrophobicContact CE1-CB 4.25Å; Y90-K95 HydrophobicContact CE1-CG 4.46Å; Y90-K95 PolarHBondContact O-N 2.89Å
96	N	93.6	Very high	96.5	Very high	152 Å²	152	70 Å²	70	81%	0.813	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	11.3	-177.7	-58.1	-18.9	0	0	0	112.7	W94	W94-N96 PolarHBondContact O-N 2.87Å
97	M	93.4	Very high	96.5	Very high	113 Å²	113	70.1 Å²	70.1	56%	0.557	36%	0.36	S	S	*	.	S	Bend	trans	-94.8	141.7	179.6	-66.3	-66.6	-74	0	0	110.1	T93 W94	T93-M97 WeakPolarHBondContact O-CG 3.4Å; W94-M97 HydrophobicContact CE3-CB 3.69Å; W94-M97 HydrophobicContact CE3-CG 4.23Å; W94-M97 HydrophobicContact CZ3-CB 4.21Å; W94-M97 PolarHBondContact O-N 3.39Å
98	S	92.2	Very high	96.5	Very high	127 Å²	127	67.7 Å²	67.7	89%	0.888	35%	0.348	S	S	*	.			trans	-75.9	128.1	170.5	-172.5	0	0	0	0	110.1
99	T	93.4	Very high	96.6	Very high	38 Å²	38	60.5 Å²	60.5	23%	0.233	32%	0.317	C	S	.	.			trans	-159.1	145.3	179.1	175.4	0	0	0	0	109.8	W94 L101 I106	W94-T99 HydrophobicContact CE3-CG2 4.13Å; W94-T99 HydrophobicContact CZ3-CG2 4.49Å; T99-L101 PolarHBondContact O-N 2.93Å; T99-L101 PolarHBondContact OG1-N 3.24Å; T99-I106 HydrophobicContact CG2-CD1 3.69Å
100	P	93.4	Very high	96.6	Very high	107 Å²	107	61.6 Å²	61.6	70%	0.695	32%	0.321	S	S	*	.	S	Bend	trans	-71.4	-12.4	174.6	30.4	-36.7	0	0	0	113.1	T153	P100-T153 HydrophobicContact CB-CG2 4.12Å; P100-T153 WeakPolarHBondContact O-CG2 3.29Å
101	L	97.3	Very high	96.6	Very high	11 Å²	11	59.4 Å²	59.4	6%	0.058	31%	0.313	C	S	.	.	S	Bend	trans	-82.6	141.7	-178.5	-67.3	-177.7	0	0	0	112.6	T99 Q105 I106 L109 A150 T153 I154 F219	T99-L101 PolarHBondContact O-N 2.93Å; T99-L101 PolarHBondContact OG1-N 3.24Å; L101-Q105 HydrophobicContact CB-CB 4.28Å; L101-Q105 HydrophobicContact CD2-CB 4.16Å; L101-Q105 VanDerWaalsContact CD2-OE1 3.23Å; L101-I106 HydrophobicContact CB-CD1 4.1Å; L101-I106 HydrophobicContact CB-CG1 3.66Å; L101-I106 HydrophobicContact CD1-CG1 3.94Å; L101-I106 HydrophobicContact CG-CG1 4.48Å; L101-L109 HydrophobicContact CD1-CD1 3.66Å; L101-A150 HydrophobicContact CD2-CB 4.2Å; L101-T153 HydrophobicContact CD2-CG2 3.79Å; L101-I154 HydrophobicContact CD1-CD1 4.24Å; L101-I154 HydrophobicContact CD1-CG1 4.44Å; L101-I154 HydrophobicContact CD2-CD1 4.43Å; L101-I154 HydrophobicContact CD2-CG1 4.03Å; L101-I154 HydrophobicContact CG-CG1 4.48Å; L101-F219 HydrophobicContact CD1-CD1 4.06Å; L101-F219 HydrophobicContact CD1-CD2 3.94Å; L101-F219 HydrophobicContact CD1-CE1 3.69Å; L101-F219 HydrophobicContact CD1-CE2 3.56Å; L101-F219 HydrophobicContact CD1-CG 4.18Å; L101-F219 HydrophobicContact CD1-CZ 3.44Å; L101-F219 VanDerWaalsContact CD1-CZ 3.44Å; L101-F219 HydrophobicContact CG-CZ 4.25Å
102	K	97.4	Very high	96.6	Very high	98 Å²	98	54.2 Å²	54.2	43%	0.426	29%	0.29	S	S	.	.			trans	-68.8	156.4	167.6	-64.3	-177.7	177.1	-176.3	0	110.9	E61 E104 Q105 I106	E61-K102 IonicContact OE1-NZ 2.88Å; E61-K102 PolarHBondContact OE1-NZ 3.46Å; E61-K102 IonicContact OE2-NZ 3.26Å; E61-K102 PolarHBondContact OE2-NZ 3.01Å; K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 PolarHBondContact O-N 3.14Å; K102-Q105 HydrophobicContact CB-CG 4.21Å; K102-Q105 WeakPolarHBondContact O-CB 3.39Å; K102-Q105 PolarHBondContact O-N 3.38Å; K102-I106 PolarHBondContact O-N 3.3Å; K102-I106 VanDerWaalsContact O-N 3.15Å
103	K	97.9	Very high	96.7	Very high	62 Å²	62	49.8 Å²	49.8	27%	0.27	26%	0.263	S	S	.	.	H	α-helix	trans	-44.6	-53.4	174.6	172.6	-178.8	177.8	-164.9	0	112.4	E87 Y90 Q105 I106 M107	E87-K103 IonicContact OE1-NZ 3.26Å; E87-K103 PolarHBondContact OE1-NZ 3.25Å; Y90-K103 HydrophobicContact CD1-CD 3.95Å; Y90-K103 HydrophobicContact CD1-CG 3.72Å; Y90-K103 HydrophobicContact CD2-CB 4.26Å; Y90-K103 HydrophobicContact CD2-CG 3.95Å; Y90-K103 HydrophobicContact CE1-CB 4.1Å; Y90-K103 HydrophobicContact CE1-CD 3.74Å; Y90-K103 HydrophobicContact CE1-CG 3.63Å; Y90-K103 HydrophobicContact CE2-CB 3.74Å; Y90-K103 HydrophobicContact CE2-CG 3.86Å; Y90-K103 HydrophobicContact CG-CG 3.88Å; K103-Q105 VanDerWaalsContact C-N 3.3Å; K103-Q105 PolarHBondContact O-N 2.81Å; K103-I106 PolarHBondContact O-N 3.21Å; K103-M107 HydrophobicContact CD-SD 4.24Å; K103-M107 VanDerWaalsContact CE-SD 3.54Å; K103-M107 HydrophobicContact CG-CG 4.47Å; K103-M107 HydrophobicContact CG-SD 3.73Å; K103-M107 VanDerWaalsContact O-CG 3.31Å; K103-M107 WeakPolarHBondContact O-CG 3.39Å; K103-M107 PolarHBondContact O-N 3.42Å
104	E	98.6	Very high	96.8	Very high	47 Å²	47	47.5 Å²	47.5	22%	0.22	25%	0.248	C	C	.	.	H	α-helix	trans	-70.5	-26.5	-174.4	-66.2	75.3	-166.4	0	0	112.9	K102 A108 Y146	K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 PolarHBondContact O-N 3.14Å; E104-A108 VanDerWaalsContact O-CB 3.29Å; E104-A108 WeakPolarHBondContact O-CB 3.43Å; E104-A108 PolarHBondContact O-N 2.97Å; E104-Y146 HydrophobicContact CB-CD1 3.69Å; E104-Y146 HydrophobicContact CB-CD2 3.88Å; E104-Y146 HydrophobicContact CB-CE1 3.46Å; E104-Y146 VanDerWaalsContact CB-CE1 3.46Å; E104-Y146 HydrophobicContact CB-CE2 3.62Å; E104-Y146 HydrophobicContact CB-CG 3.91Å; E104-Y146 VanDerWaalsContact CB-CZ 3.42Å; E104-Y146 HydrophobicContact CG-CE1 4.19Å; E104-Y146 HydrophobicContact CG-CE2 4Å
105	Q	98.8	Very high	96.6	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-67.9	-46.5	173.2	-69.1	174.3	-16.9	0	0	110.6	L101 K102 K103 M107 A108 L109 Y146 M149 A150 T153	L101-Q105 HydrophobicContact CB-CB 4.28Å; L101-Q105 HydrophobicContact CD2-CB 4.16Å; L101-Q105 VanDerWaalsContact CD2-OE1 3.23Å; K102-Q105 HydrophobicContact CB-CG 4.21Å; K102-Q105 WeakPolarHBondContact O-CB 3.39Å; K102-Q105 PolarHBondContact O-N 3.38Å; K103-Q105 VanDerWaalsContact C-N 3.3Å; K103-Q105 PolarHBondContact O-N 2.81Å; Q105-M107 VanDerWaalsContact C-N 3.32Å; Q105-M107 PolarHBondContact O-N 3.14Å; Q105-A108 PolarHBondContact O-N 2.91Å; Q105-L109 WeakPolarHBondContact O-CG 3.2Å; Q105-L109 PolarHBondContact O-N 3.41Å; Q105-Y146 HydrophobicContact CG-CD1 4.31Å; Q105-M149 HydrophobicContact CG-CB 4.31Å; Q105-M149 VanDerWaalsContact NE2-CB 3.31Å; Q105-A150 HydrophobicContact CB-CB 3.87Å; Q105-A150 HydrophobicContact CG-CB 4.25Å; Q105-T153 PolarHBondContact NE2-OG1 2.82Å
106	I	98.7	Very high	96.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-45.2	175.1	-63.1	167.4	0	0	0	110.4	Y89 Y90 W94 T99 L101 K102 K103 A108 L109 Y110 F219	Y89-I106 HydrophobicContact CD1-CG2 4.49Å; Y89-I106 HydrophobicContact CE1-CG2 4.12Å; Y90-I106 HydrophobicContact CD2-CB 4.31Å; Y90-I106 HydrophobicContact CD2-CD1 4.1Å; Y90-I106 HydrophobicContact CD2-CG2 4.27Å; Y90-I106 HydrophobicContact CE2-CD1 3.99Å; W94-I106 HydrophobicContact CB-CD1 4.16Å; W94-I106 HydrophobicContact CB-CG2 4.42Å; W94-I106 HydrophobicContact CD2-CD1 4.36Å; W94-I106 HydrophobicContact CD2-CG2 4.47Å; W94-I106 HydrophobicContact CE3-CD1 4.45Å; W94-I106 HydrophobicContact CG-CD1 4.24Å; W94-I106 HydrophobicContact CG-CG2 3.94Å; T99-I106 HydrophobicContact CG2-CD1 3.69Å; L101-I106 HydrophobicContact CB-CD1 4.1Å; L101-I106 HydrophobicContact CB-CG1 3.66Å; L101-I106 HydrophobicContact CD1-CG1 3.94Å; L101-I106 HydrophobicContact CG-CG1 4.48Å; K102-I106 PolarHBondContact O-N 3.3Å; K102-I106 VanDerWaalsContact O-N 3.15Å; K103-I106 PolarHBondContact O-N 3.21Å; I106-A108 VanDerWaalsContact C-N 3.33Å; I106-A108 PolarHBondContact O-N 2.7Å; I106-L109 PolarHBondContact O-N 3.07Å; I106-Y110 PolarHBondContact O-N 2.95Å; I106-F219 HydrophobicContact CD1-CE1 4.49Å; I106-F219 HydrophobicContact CG1-CD1 4.05Å; I106-F219 HydrophobicContact CG1-CE1 4.09Å; I106-F219 HydrophobicContact CG2-CD1 4.07Å
107	M	98.8	Very high	96.8	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.02	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-42.1	177.4	-70.4	172.9	54.5	0	0	112	W83 A86 E87 K103 Q105 Y110 A111	W83-M107 HydrophobicContact CD2-CE 4.16Å; W83-M107 HydrophobicContact CG-CE 4.31Å; W83-M107 HydrophobicContact CH2-CB 4.47Å; W83-M107 HydrophobicContact CZ2-CE 3.9Å; W83-M107 VanDerWaalsContact NE1-CE 3.29Å; A86-M107 HydrophobicContact CB-CB 3.92Å; A86-M107 HydrophobicContact CB-CG 4.31Å; A86-M107 WeakPolarHBondContact CB-O 3.4Å; E87-M107 HydrophobicContact CB-CE 3.66Å; E87-M107 HydrophobicContact CB-SD 4.28Å; E87-M107 HydrophobicContact CG-CE 4.33Å; K103-M107 HydrophobicContact CD-SD 4.24Å; K103-M107 VanDerWaalsContact CE-SD 3.54Å; K103-M107 HydrophobicContact CG-CG 4.47Å; K103-M107 HydrophobicContact CG-SD 3.73Å; K103-M107 VanDerWaalsContact O-CG 3.31Å; K103-M107 WeakPolarHBondContact O-CG 3.39Å; K103-M107 PolarHBondContact O-N 3.42Å; Q105-M107 VanDerWaalsContact C-N 3.32Å; Q105-M107 PolarHBondContact O-N 3.14Å; M107-Y110 PolarHBondContact O-N 3.46Å; M107-A111 WeakPolarHBondContact O-CB 3.19Å; M107-A111 PolarHBondContact O-N 3Å
108	A	98.8	Very high	96.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-44.4	177.7	0	0	0	0	0	112.3	W83 E104 Q105 I106 A111 Y112 L143 Y146 L147	W83-A108 HydrophobicContact CH2-CB 4.44Å; W83-A108 HydrophobicContact CZ3-CB 4.27Å; E104-A108 VanDerWaalsContact O-CB 3.29Å; E104-A108 WeakPolarHBondContact O-CB 3.43Å; E104-A108 PolarHBondContact O-N 2.97Å; Q105-A108 PolarHBondContact O-N 2.91Å; I106-A108 VanDerWaalsContact C-N 3.33Å; I106-A108 PolarHBondContact O-N 2.7Å; A108-A111 PolarHBondContact O-N 3.23Å; A108-Y112 WeakPolarHBondContact O-CB 3.01Å; A108-Y112 PolarHBondContact O-N 3.42Å; A108-L143 HydrophobicContact CB-CD1 3.91Å; A108-L143 WeakPolarHBondContact O-CD1 3.49Å; A108-Y146 VanDerWaalsContact CB-CB 3.49Å; A108-L147 HydrophobicContact CB-CD2 4.15Å; A108-L147 HydrophobicContact CB-CG 4.28Å
109	L	98.8	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.8	-48.8	174.8	-68.4	178.6	0	0	0	111.3	L101 Q105 I106 Y112 T113 L147 A150 I154 I216 F219 L229	L101-L109 HydrophobicContact CD1-CD1 3.66Å; Q105-L109 WeakPolarHBondContact O-CG 3.2Å; Q105-L109 PolarHBondContact O-N 3.41Å; I106-L109 PolarHBondContact O-N 3.07Å; L109-Y112 PolarHBondContact O-N 3.05Å; L109-T113 WeakPolarHBondContact O-CG2 3.49Å; L109-T113 PolarHBondContact O-N 3.16Å; L109-T113 PolarHBondContact O-OG1 3Å; L109-L147 HydrophobicContact CD2-CD2 3.84Å; L109-A150 HydrophobicContact CD1-CB 4.05Å; L109-A150 HydrophobicContact CD2-CB 4.01Å; L109-A150 HydrophobicContact CG-CB 3.95Å; L109-I154 HydrophobicContact CD1-CD1 4.17Å; L109-I216 HydrophobicContact CD1-CB 4.38Å; L109-I216 HydrophobicContact CD1-CG2 4.19Å; L109-I216 HydrophobicContact CD2-CB 4.06Å; L109-I216 HydrophobicContact CD2-CD1 4.14Å; L109-I216 HydrophobicContact CD2-CG2 3.59Å; L109-F219 HydrophobicContact CB-CB 3.81Å; L109-F219 HydrophobicContact CD1-CB 3.68Å; L109-F219 HydrophobicContact CD1-CD2 3.58Å; L109-F219 HydrophobicContact CD1-CE2 4.41Å; L109-F219 HydrophobicContact CD1-CG 3.69Å; L109-F219 HydrophobicContact CG-CB 4.41Å; L109-L229 HydrophobicContact CD2-CD2 4.5Å
110	Y	98.6	Very high	97.3	Very high	46 Å²	46	34.3 Å²	34.3	18%	0.18	18%	0.179	C	C	.	.	H	α-helix	trans	-64.8	-45.5	179.4	-170.1	-96.5	0	0	0	111.8	A86 Y89 I106 M107 Y112 T113 L114 F219	A86-Y110 HydrophobicContact CB-CD1 3.99Å; Y89-Y110 HydrophobicContact CD1-CD1 4.02Å; Y89-Y110 AromaticContact CD1-CD2 3.34Å; Y89-Y110 HydrophobicContact CD1-CD2 3.34Å; Y89-Y110 HydrophobicContact CD1-CE1 4.45Å; Y89-Y110 AromaticContact CD1-CE2 3.87Å; Y89-Y110 HydrophobicContact CD1-CE2 3.87Å; Y89-Y110 AromaticContact CD1-CG 3.4Å; Y89-Y110 HydrophobicContact CD1-CG 3.4Å; Y89-Y110 VanDerWaalsContact CD1-CG 3.4Å; Y89-Y110 AromaticContact CD2-CD2 3.79Å; Y89-Y110 HydrophobicContact CD2-CD2 3.79Å; Y89-Y110 HydrophobicContact CD2-CE1 4.42Å; Y89-Y110 AromaticContact CD2-CE2 3.39Å; Y89-Y110 HydrophobicContact CD2-CE2 3.39Å; Y89-Y110 HydrophobicContact CD2-CG 4.43Å; Y89-Y110 AromaticContact CD2-CZ 3.74Å; Y89-Y110 AromaticContact CE1-CD2 3.38Å; Y89-Y110 HydrophobicContact CE1-CD2 3.38Å; Y89-Y110 HydrophobicContact CE1-CE2 4.03Å; Y89-Y110 AromaticContact CE1-CG 3.82Å; Y89-Y110 HydrophobicContact CE1-CG 3.82Å; Y89-Y110 AromaticContact CE2-CD2 3.83Å; Y89-Y110 HydrophobicContact CE2-CD2 3.83Å; Y89-Y110 AromaticContact CE2-CE2 3.58Å; Y89-Y110 HydrophobicContact CE2-CE2 3.58Å; Y89-Y110 AromaticContact CG-CD1 3.96Å; Y89-Y110 HydrophobicContact CG-CD1 3.96Å; Y89-Y110 AromaticContact CG-CD2 3.52Å; Y89-Y110 HydrophobicContact CG-CD2 3.52Å; Y89-Y110 AromaticContact CG-CE1 3.94Å; Y89-Y110 HydrophobicContact CG-CE1 3.94Å; Y89-Y110 AromaticContact CG-CE2 3.52Å; Y89-Y110 HydrophobicContact CG-CE2 3.52Å; Y89-Y110 AromaticContact CG-CG 3.73Å; Y89-Y110 HydrophobicContact CG-CG 3.73Å; Y89-Y110 AromaticContact CG-CZ 3.72Å; Y89-Y110 AromaticContact CZ-CD2 3.6Å; Y89-Y110 AromaticContact CZ-CE2 3.87Å; I106-Y110 PolarHBondContact O-N 2.95Å; M107-Y110 PolarHBondContact O-N 3.46Å; Y110-Y112 VanDerWaalsContact C-N 3.3Å; Y110-Y112 PolarHBondContact O-N 3.06Å; Y110-T113 PolarHBondContact O-N 2.94Å; Y110-T113 PolarHBondContact O-OG1 2.91Å; Y110-T113 VanDerWaalsContact O-OG1 3.06Å; Y110-L114 HydrophobicContact CD1-CD2 4.32Å; Y110-L114 HydrophobicContact CD1-CG 4.37Å; Y110-L114 HydrophobicContact CE1-CD2 3.74Å; Y110-L114 HydrophobicContact CE1-CG 4.27Å; Y110-L114 WeakPolarHBondContact O-CG 3.45Å; Y110-L114 PolarHBondContact O-N 2.88Å; Y110-F219 WeakPolarHBondContact CA-O 3.41Å
111	A	98.7	Very high	97.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-37.8	178.6	0	0	0	0	0	112.6	A82 A86 M107 A108	A82-A111 HydrophobicContact CB-CB 4.22Å; A86-A111 HydrophobicContact CB-CB 3.99Å; M107-A111 WeakPolarHBondContact O-CB 3.19Å; M107-A111 PolarHBondContact O-N 3Å; A108-A111 PolarHBondContact O-N 3.23Å
112	Y	98.7	Very high	97.4	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-38.3	177.2	176.6	-94.2	0	0	0	111.9	A108 L109 Y110 L114 Y120 F123 N124 L147 F186 S188 L229	A108-Y112 WeakPolarHBondContact O-CB 3.01Å; A108-Y112 PolarHBondContact O-N 3.42Å; L109-Y112 PolarHBondContact O-N 3.05Å; Y110-Y112 VanDerWaalsContact C-N 3.3Å; Y110-Y112 PolarHBondContact O-N 3.06Å; Y112-L114 VanDerWaalsContact C-N 3.35Å; Y112-L114 PolarHBondContact O-N 3.49Å; Y112-Y120 WeakPolarHBondContact O-CB 3.37Å; Y112-F123 AromaticContact CD2-CD1 3.84Å; Y112-F123 HydrophobicContact CD2-CD1 3.84Å; Y112-F123 HydrophobicContact CD2-CE1 4.04Å; Y112-F123 AromaticContact CE2-CD1 3.86Å; Y112-F123 HydrophobicContact CE2-CD1 3.86Å; Y112-F123 HydrophobicContact CE2-CE1 4.05Å; Y112-N124 PolarHBondContact OH-ND2 2.75Å; Y112-L147 HydrophobicContact CD2-CD1 3.7Å; Y112-L147 HydrophobicContact CE2-CD1 4.42Å; Y112-L147 HydrophobicContact CG-CD1 4.04Å; Y112-L147 HydrophobicContact CG-CD2 4.37Å; Y112-F186 HydrophobicContact CE2-CB 4Å; Y112-F186 PolarHBondContact OH-O 3.45Å; Y112-S188 WeakPolarHBondContact CE1-OG 3.06Å; Y112-S188 PolarHBondContact OH-OG 2.99Å; Y112-S188 VanDerWaalsContact OH-OG 3.08Å; Y112-L229 HydrophobicContact CD1-CD1 4.27Å; Y112-L229 HydrophobicContact CD1-CD2 4.03Å; Y112-L229 HydrophobicContact CE1-CD1 3.42Å; Y112-L229 VanDerWaalsContact CE1-CD1 3.42Å; Y112-L229 HydrophobicContact CE1-CD2 4Å; Y112-L229 HydrophobicContact CE1-CG 4.35Å
113	T	98	Very high	97.4	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.055	17%	0.167	C	C	.	.	H	α-helix	trans	-87.5	1	-174.6	58.9	0	0	0	0	114.3	L109 Y110 I216 S220 S221 E227	L109-T113 WeakPolarHBondContact O-CG2 3.49Å; L109-T113 PolarHBondContact O-N 3.16Å; L109-T113 PolarHBondContact O-OG1 3Å; Y110-T113 PolarHBondContact O-N 2.94Å; Y110-T113 PolarHBondContact O-OG1 2.91Å; Y110-T113 VanDerWaalsContact O-OG1 3.06Å; T113-I216 HydrophobicContact CG2-CD1 3.82Å; T113-S220 WeakPolarHBondContact CB-OG 3.1Å; T113-S220 WeakPolarHBondContact OG1-CA 3.49Å; T113-S221 PolarHBondContact O-OG 3.16Å; T113-S221 PolarHBondContact OG1-N 2.86Å; T113-E227 WeakPolarHBondContact CG2-OE2 3.27Å
114	L	97.3	Very high	97.5	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.063	16%	0.156	C	C	.	.			trans	-66.1	133.9	178.7	-77.8	171.3	0	0	0	112.4	A82 K85 Y110 Y112	A82-L114 HydrophobicContact CB-CD1 4.03Å; K85-L114 HydrophobicContact CB-CD1 4.05Å; K85-L114 HydrophobicContact CD-CD1 4.21Å; Y110-L114 HydrophobicContact CD1-CD2 4.32Å; Y110-L114 HydrophobicContact CD1-CG 4.37Å; Y110-L114 HydrophobicContact CE1-CD2 3.74Å; Y110-L114 HydrophobicContact CE1-CG 4.27Å; Y110-L114 WeakPolarHBondContact O-CG 3.45Å; Y110-L114 PolarHBondContact O-N 2.88Å; Y112-L114 VanDerWaalsContact C-N 3.35Å; Y112-L114 PolarHBondContact O-N 3.49Å
115	N	93.1	Very high	97.4	Very high	98 Å²	98	33.6 Å²	33.6	52%	0.524	16%	0.164	S	C	.	.	S	Bend	trans	-74.3	-32.6	164.9	-83.2	-30.3	0	0	0	112.6	P118 I222	N115-P118 WeakPolarHBondContact O-CB 3.43Å; N115-P118 WeakPolarHBondContact O-CD 3.43Å; N115-I222 WeakPolarHBondContact ND2-CD1 3.4Å
116	V	94.6	Very high	97.4	Very high	99 Å²	99	33.2 Å²	33.2	60%	0.6	16%	0.163	S	C	*	.	S	Bend	trans	-139	115.9	-178.5	-174.4	0	0	0	0	111	K85	K85-V116 PolarHBondContact NZ-O 2.74Å
117	P	95.7	Very high	97.4	Very high	10 Å²	10	33.2 Å²	33.2	7%	0.065	16%	0.163	C	C	.	.	S	Bend	cis	-72.1	148.6	-10.2	34.4	-36.5	0	0	0	110.7	T78 Q81 A82 L119	T78-P117 HydrophobicContact CG2-CB 3.83Å; T78-P117 HydrophobicContact CG2-CG 4.26Å; T78-P117 VanDerWaalsContact O-CG 3.28Å; T78-P117 WeakPolarHBondContact O-CG 3.35Å; Q81-P117 HydrophobicContact CB-CG 3.93Å; A82-P117 HydrophobicContact CB-CG 3.9Å; P117-L119 PolarHBondContact O-N 3.24Å
118	P	94.9	Very high	97.4	Very high	43 Å²	43	37.3 Å²	37.3	28%	0.279	18%	0.178	S	C	.	.			trans	-80.2	63.4	-176.7	33.7	-36.6	0	0	0	112.1	N115 Y120 R121	N115-P118 WeakPolarHBondContact O-CB 3.43Å; N115-P118 WeakPolarHBondContact O-CD 3.43Å; P118-Y120 HydrophobicContact CB-CD1 4.35Å; P118-Y120 HydrophobicContact CB-CE1 3.82Å; P118-Y120 PolarHBondContact O-N 2.78Å; P118-Y120 VanDerWaalsContact O-N 3.16Å; P118-R121 HydrophobicContact CB-CG 4.2Å; P118-R121 WeakPolarHBondContact O-CB 3.08Å; P118-R121 PolarHBondContact O-N 3.49Å
119	L	97.6	Very high	97.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.2	-35.9	-173.5	178.8	58.6	0	0	0	112.8	T78 F79 A82 P117 R121 E122 F123 Y140 L143	T78-L119 HydrophobicContact CG2-CB 4.44Å; T78-L119 HydrophobicContact CG2-CD1 4.14Å; F79-L119 HydrophobicContact CB-CD1 4.32Å; F79-L119 HydrophobicContact CD2-CD1 4.12Å; F79-L119 HydrophobicContact CD2-CD2 3.98Å; F79-L119 HydrophobicContact CE2-CD2 4.4Å; A82-L119 HydrophobicContact CB-CB 4.02Å; A82-L119 HydrophobicContact CB-CD2 3.68Å; A82-L119 HydrophobicContact CB-CG 4.45Å; P117-L119 PolarHBondContact O-N 3.24Å; L119-R121 PolarHBondContact O-N 3.12Å; L119-E122 PolarHBondContact O-N 3.47Å; L119-F123 VanDerWaalsContact O-CB 3.28Å; L119-F123 WeakPolarHBondContact O-CB 3.21Å; L119-F123 PolarHBondContact O-N 2.85Å; L119-Y140 HydrophobicContact CD1-CD1 4.4Å; L119-Y140 HydrophobicContact CD1-CE1 3.86Å; L119-L143 HydrophobicContact CD2-CD2 3.72Å; L119-L143 HydrophobicContact CG-CD2 3.99Å
120	Y	97	Very high	97.3	Very high	61 Å²	61	45.6 Å²	45.6	24%	0.239	22%	0.215	C	C	.	.	H	α-helix	trans	-53.6	-28.8	178	70.5	-90.1	0	0	0	113.6	Y112 P118 N124	Y112-Y120 WeakPolarHBondContact O-CB 3.37Å; P118-Y120 HydrophobicContact CB-CD1 4.35Å; P118-Y120 HydrophobicContact CB-CE1 3.82Å; P118-Y120 PolarHBondContact O-N 2.78Å; P118-Y120 VanDerWaalsContact O-N 3.16Å; Y120-N124 WeakPolarHBondContact O-CB 3.34Å; Y120-N124 PolarHBondContact O-N 3.37Å; Y120-N124 PolarHBondContact O-ND2 3.38Å
121	R	95.8	Very high	97.3	Very high	148 Å²	148	46 Å²	46	56%	0.558	22%	0.218	S	C	*	.	H	α-helix	trans	-68.2	-52.5	-177.9	-66.2	-176.1	177.2	-173.4	-0.9	111.4	P118 L119 N125	P118-R121 HydrophobicContact CB-CG 4.2Å; P118-R121 WeakPolarHBondContact O-CB 3.08Å; P118-R121 PolarHBondContact O-N 3.49Å; L119-R121 PolarHBondContact O-N 3.12Å; R121-N125 WeakPolarHBondContact O-CB 3.5Å; R121-N125 PolarHBondContact O-N 2.59Å; R121-N125 VanDerWaalsContact O-N 3.16Å
122	E	97.3	Very high	97.2	Very high	79 Å²	79	51.3 Å²	51.3	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-68.1	-45.4	179.3	-62.2	177	-172.5	0	0	110.4	T78 L119 N125 A126 Y140	T78-E122 PolarHBondContact OG1-OE1 3.5Å; L119-E122 PolarHBondContact O-N 3.47Å; E122-N125 PolarHBondContact O-N 2.96Å; E122-A126 PolarHBondContact O-N 2.73Å; E122-Y140 WeakPolarHBondContact CB-OH 3.33Å; E122-Y140 PolarHBondContact OE2-OH 3.21Å
123	F	98.7	Very high	97.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.3	-56.8	177.1	172.5	-116.8	0	0	0	111.9	Y112 L119 N125 A126 V127 Y140 L143 H144 L147 F186	Y112-F123 AromaticContact CD2-CD1 3.84Å; Y112-F123 HydrophobicContact CD2-CD1 3.84Å; Y112-F123 HydrophobicContact CD2-CE1 4.04Å; Y112-F123 AromaticContact CE2-CD1 3.86Å; Y112-F123 HydrophobicContact CE2-CD1 3.86Å; Y112-F123 HydrophobicContact CE2-CE1 4.05Å; L119-F123 VanDerWaalsContact O-CB 3.28Å; L119-F123 WeakPolarHBondContact O-CB 3.21Å; L119-F123 PolarHBondContact O-N 2.85Å; F123-N125 PolarHBondContact O-N 2.61Å; F123-A126 WeakPolarHBondContact O-CB 3.25Å; F123-A126 PolarHBondContact O-N 3.15Å; F123-V127 HydrophobicContact CD2-CG2 3.85Å; F123-V127 HydrophobicContact CE1-CG2 4.18Å; F123-V127 HydrophobicContact CE2-CG2 3.47Å; F123-V127 VanDerWaalsContact CE2-CG2 3.47Å; F123-V127 HydrophobicContact CG-CG2 4.38Å; F123-V127 HydrophobicContact CZ-CG2 3.66Å; F123-V127 WeakPolarHBondContact O-CG2 3.43Å; F123-V127 PolarHBondContact O-N 3.38Å; F123-Y140 HydrophobicContact CB-CD1 4.42Å; F123-Y140 HydrophobicContact CD2-CD1 4.19Å; F123-Y140 AromaticContact CD2-CG 3.84Å; F123-Y140 HydrophobicContact CD2-CG 3.84Å; F123-L143 HydrophobicContact CB-CD2 4.03Å; F123-L143 HydrophobicContact CD1-CD2 3.82Å; F123-L143 HydrophobicContact CD2-CB 4.48Å; F123-L143 HydrophobicContact CD2-CD2 3.79Å; F123-L143 HydrophobicContact CD2-CG 4.33Å; F123-L143 HydrophobicContact CE1-CD2 4.18Å; F123-L143 HydrophobicContact CE1-CG 4.39Å; F123-L143 HydrophobicContact CE2-CB 4.27Å; F123-L143 HydrophobicContact CE2-CD2 4.14Å; F123-L143 HydrophobicContact CE2-CG 4.19Å; F123-L143 HydrophobicContact CG-CD2 3.59Å; F123-L143 HydrophobicContact CG-CG 4.46Å; F123-L143 HydrophobicContact CZ-CD2 4.32Å; F123-L143 HydrophobicContact CZ-CG 4.22Å; F123-H144 HydrophobicContact CE2-CB 3.99Å; F123-H144 HydrophobicContact CZ-CB 4.21Å; F123-L147 HydrophobicContact CD1-CD1 4.42Å; F123-L147 HydrophobicContact CE1-CD1 3.54Å; F123-L147 HydrophobicContact CZ-CD1 3.86Å; F123-F186 HydrophobicContact CE1-CB 4.2Å; F123-F186 AromaticContact CE1-CD2 3.48Å; F123-F186 HydrophobicContact CE1-CD2 3.48Å; F123-F186 VanDerWaalsContact CE1-CD2 3.48Å; F123-F186 HydrophobicContact CE1-CE2 4.13Å; F123-F186 HydrophobicContact CE1-CG 4.03Å; F123-F186 AromaticContact CZ-CD2 3.55Å; F123-F186 HydrophobicContact CZ-CD2 3.55Å; F123-F186 AromaticContact CZ-CE2 3.74Å; F123-F186 HydrophobicContact CZ-CE2 3.74Å; F123-F186 HydrophobicContact CZ-CG 4.46Å
124	N	98.5	Very high	97.2	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.043	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-28.4	-178.2	-71.8	-28.6	0	0	0	112.3	Y112 Y120 R128 A185 F186	Y112-N124 PolarHBondContact OH-ND2 2.75Å; Y120-N124 WeakPolarHBondContact O-CB 3.34Å; Y120-N124 PolarHBondContact O-N 3.37Å; Y120-N124 PolarHBondContact O-ND2 3.38Å; N124-R128 VanDerWaalsContact O-CG 3.27Å; N124-R128 WeakPolarHBondContact O-CG 3.13Å; N124-R128 PolarHBondContact O-N 3.47Å; N124-R128 VanDerWaalsContact O-N 3.13Å; N124-R128 PolarHBondContact O-NH1 3.08Å; N124-R128 VanDerWaalsContact O-NH1 3.16Å; N124-A185 HydrophobicContact CB-CB 4.03Å; N124-F186 PolarHBondContact ND2-O 2.9Å; N124-F186 PolarHBondContact OD1-O 3.28Å
125	N	97.8	Very high	97.2	Very high	74 Å²	74	61.2 Å²	61.2	40%	0.396	30%	0.297	S	S	.	.	H	α-helix	trans	-69.7	-40.6	172.2	177.7	65.7	0	0	0	112	R121 E122 F123 K129	R121-N125 WeakPolarHBondContact O-CB 3.5Å; R121-N125 PolarHBondContact O-N 2.59Å; R121-N125 VanDerWaalsContact O-N 3.16Å; E122-N125 PolarHBondContact O-N 2.96Å; F123-N125 PolarHBondContact O-N 2.61Å; N125-K129 WeakPolarHBondContact OD1-CE 3.5Å; N125-K129 PolarHBondContact OD1-NZ 3.35Å
126	A	98.4	Very high	97.3	Very high	2 Å²	2	61.8 Å²	61.8	2%	0.017	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-49	174.6	0	0	0	0	0	110.9	E122 F123 R128 K129 Q130 F138 Y140	E122-A126 PolarHBondContact O-N 2.73Å; F123-A126 WeakPolarHBondContact O-CB 3.25Å; F123-A126 PolarHBondContact O-N 3.15Å; A126-R128 VanDerWaalsContact C-N 3.32Å; A126-R128 PolarHBondContact O-N 3.46Å; A126-K129 PolarHBondContact O-N 3.08Å; A126-K129 VanDerWaalsContact O-N 3.08Å; A126-Q130 HydrophobicContact CB-CG 4.37Å; A126-Q130 WeakPolarHBondContact O-CB 3.18Å; A126-Q130 WeakPolarHBondContact O-CG 3.41Å; A126-Q130 PolarHBondContact O-N 3.47Å; A126-F138 HydrophobicContact CB-CD2 4.37Å; A126-F138 HydrophobicContact CB-CE2 3.94Å; A126-Y140 HydrophobicContact CB-CD2 3.59Å; A126-Y140 HydrophobicContact CB-CE2 3.6Å
127	V	98.8	Very high	97.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-55.7	-44.2	178.1	175.4	0	0	0	0	111.3	S48 V49 F123 K129 F138 A185 P232	S48-V127 CarbonylContact C-O 3.55Å; S48-V127 VanDerWaalsContact CA-O 3.26Å; S48-V127 WeakPolarHBondContact CA-O 3.26Å; V49-V127 HydrophobicContact CB-CG1 4.26Å; V49-V127 PolarHBondContact N-O 2.91Å; V49-V127 WeakPolarHBondContact O-CG1 3.38Å; F123-V127 HydrophobicContact CD2-CG2 3.85Å; F123-V127 HydrophobicContact CE1-CG2 4.18Å; F123-V127 HydrophobicContact CE2-CG2 3.47Å; F123-V127 VanDerWaalsContact CE2-CG2 3.47Å; F123-V127 HydrophobicContact CG-CG2 4.38Å; F123-V127 HydrophobicContact CZ-CG2 3.66Å; F123-V127 WeakPolarHBondContact O-CG2 3.43Å; F123-V127 PolarHBondContact O-N 3.38Å; V127-K129 VanDerWaalsContact C-N 3.26Å; V127-K129 PolarHBondContact O-N 3.34Å; V127-F138 HydrophobicContact CG2-CE2 4.35Å; V127-F138 HydrophobicContact CG2-CZ 4.12Å; V127-A185 HydrophobicContact CB-CB 4.03Å; V127-A185 HydrophobicContact CG1-CB 3.81Å; V127-P232 HydrophobicContact CG1-CB 4.36Å
128	R	98	Very high	97.5	Very high	91 Å²	91	64.1 Å²	64.1	34%	0.343	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-27.6	179.1	-75.1	178.8	-164.5	101.4	2	114.9	T47 N124 A126 G184 A185	T47-R128 CarbonylContact C-O 3.51Å; T47-R128 CarbonylContact O-C 3.4Å; T47-R128 PolarHBondContact OG1-O 2.98Å; N124-R128 VanDerWaalsContact O-CG 3.27Å; N124-R128 WeakPolarHBondContact O-CG 3.13Å; N124-R128 PolarHBondContact O-N 3.47Å; N124-R128 VanDerWaalsContact O-N 3.13Å; N124-R128 PolarHBondContact O-NH1 3.08Å; N124-R128 VanDerWaalsContact O-NH1 3.16Å; A126-R128 VanDerWaalsContact C-N 3.32Å; A126-R128 PolarHBondContact O-N 3.46Å; R128-G184 WeakPolarHBondContact CA-O 3.07Å; R128-A185 HydrophobicContact CG-CB 3.69Å
129	K	97.6	Very high	97.6	Very high	126 Å²	126	65.6 Å²	65.6	55%	0.548	31%	0.308	S	S	.	.	H	α-helix	trans	-123.7	-19.6	-161.3	-67.8	175.3	179.6	166	0	114.9	T47 N125 A126 V127	T47-K129 CarbonylContact O-C 3.5Å; N125-K129 WeakPolarHBondContact OD1-CE 3.5Å; N125-K129 PolarHBondContact OD1-NZ 3.35Å; A126-K129 PolarHBondContact O-N 3.08Å; A126-K129 VanDerWaalsContact O-N 3.08Å; V127-K129 VanDerWaalsContact C-N 3.26Å; V127-K129 PolarHBondContact O-N 3.34Å
130	Q	98.2	Very high	97.6	Very high	47 Å²	47	66.6 Å²	66.6	22%	0.22	31%	0.312	C	S	.	.			trans	-104.3	21.4	-163.2	-64.6	-168.6	2.6	0	0	114.4	A126 S132 K133 Y134 F138	A126-Q130 HydrophobicContact CB-CG 4.37Å; A126-Q130 WeakPolarHBondContact O-CB 3.18Å; A126-Q130 WeakPolarHBondContact O-CG 3.41Å; A126-Q130 PolarHBondContact O-N 3.47Å; Q130-S132 VanDerWaalsContact C-N 3.28Å; Q130-S132 PolarHBondContact O-N 2.82Å; Q130-K133 HydrophobicContact CB-CB 4.21Å; Q130-K133 HydrophobicContact CG-CD 4.44Å; Q130-K133 CarbonylContact O-C 3.47Å; Q130-K133 WeakPolarHBondContact O-CA 3.44Å; Q130-K133 PolarHBondContact O-N 2.95Å; Q130-Y134 PolarHBondContact O-N 2.99Å; Q130-F138 HydrophobicContact CB-CD2 3.93Å
131	K	98	Very high	97.7	Very high	56 Å²	56	63.9 Å²	63.9	24%	0.243	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-48.6	-47.8	172.1	178.8	-178.4	179.8	179.8	0	113	K46 T47 S48 K133 Y134 L267	K46-K131 WeakPolarHBondContact O-CD 3.47Å; K46-K131 PolarHBondContact O-NZ 2.87Å; T47-K131 WeakPolarHBondContact O-CB 3.39Å; T47-K131 PolarHBondContact O-N 3.03Å; T47-K131 VanDerWaalsContact O-N 3.14Å; S48-K131 WeakPolarHBondContact O-CB 3.38Å; K131-K133 PolarHBondContact O-N 2.86Å; K131-K133 VanDerWaalsContact O-N 3.16Å; K131-Y134 WeakPolarHBondContact O-CB 3.31Å; K131-Y134 PolarHBondContact O-N 3.1Å; K131-L267 HydrophobicContact CB-CD1 4.45Å; K131-L267 HydrophobicContact CG-CD1 3.91Å; K131-L267 HydrophobicContact CG-CD2 4.19Å; K131-L267 HydrophobicContact CG-CG 4.12Å
132	S	98	Very high	97.9	Very high	110 Å²	110	56.9 Å²	56.9	77%	0.769	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-64.9	-18.5	179.3	57.7	0	0	0	0	113.7	Q130	Q130-S132 VanDerWaalsContact C-N 3.28Å; Q130-S132 PolarHBondContact O-N 2.82Å
133	K	98.1	Very high	97.9	Very high	92 Å²	92	53.1 Å²	53.1	40%	0.4	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-102.5	2.8	178.3	-63	-178.9	-177.7	-179.2	0	112.6	Q130 K131 K135 T136 K137 F138	Q130-K133 HydrophobicContact CB-CB 4.21Å; Q130-K133 HydrophobicContact CG-CD 4.44Å; Q130-K133 CarbonylContact O-C 3.47Å; Q130-K133 WeakPolarHBondContact O-CA 3.44Å; Q130-K133 PolarHBondContact O-N 2.95Å; K131-K133 PolarHBondContact O-N 2.86Å; K131-K133 VanDerWaalsContact O-N 3.16Å; K133-K135 VanDerWaalsContact C-N 3.29Å; K133-K135 PolarHBondContact O-N 2.83Å; K133-T136 PolarHBondContact O-N 3.42Å; K133-T136 PolarHBondContact O-OG1 3.24Å; K133-K137 HydrophobicContact CB-CB 4.15Å; K133-K137 HydrophobicContact CD-CB 4.23Å; K133-K137 HydrophobicContact CG-CB 4.45Å; K133-K137 PolarHBondContact O-N 3.39Å; K133-F138 PolarHBondContact O-N 3.2Å
134	Y	98.2	Very high	97.9	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.008	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-41.1	-172.1	-176.7	-121	0	0	0	112.7	V49 D51 Y53 Q130 K131 T136 F138 H141 L267 A270 L271	V49-Y134 HydrophobicContact CB-CD2 4.49Å; V49-Y134 HydrophobicContact CG1-CD2 3.42Å; V49-Y134 VanDerWaalsContact CG1-CD2 3.42Å; V49-Y134 HydrophobicContact CG1-CE2 3.45Å; V49-Y134 VanDerWaalsContact CG1-CE2 3.45Å; V49-Y134 HydrophobicContact CG1-CG 4.35Å; V49-Y134 HydrophobicContact CG2-CD2 4.24Å; D51-Y134 HydrophobicContact CB-CE1 4.34Å; D51-Y134 WeakPolarHBondContact CB-OH 3.47Å; D51-Y134 WeakPolarHBondContact OD2-CE1 3.29Å; D51-Y134 PolarHBondContact OD2-OH 3.17Å; Y53-Y134 WeakPolarHBondContact CE1-OH 3.5Å; Y53-Y134 PolarHBondContact OH-OH 3.45Å; Q130-Y134 PolarHBondContact O-N 2.99Å; K131-Y134 WeakPolarHBondContact O-CB 3.31Å; K131-Y134 PolarHBondContact O-N 3.1Å; Y134-T136 VanDerWaalsContact C-N 3.33Å; Y134-T136 PolarHBondContact O-N 2.97Å; Y134-F138 HydrophobicContact CD2-CB 4.5Å; Y134-F138 AromaticContact CD2-CD1 3.88Å; Y134-F138 HydrophobicContact CD2-CD1 3.88Å; Y134-F138 HydrophobicContact CD2-CE1 4.33Å; Y134-F138 HydrophobicContact CD2-CG 4.24Å; Y134-F138 HydrophobicContact CE2-CD1 4.1Å; Y134-F138 HydrophobicContact CE2-CE1 4.26Å; Y134-H141 AromaticContact CD2-CE1 3.61Å; Y134-H141 AromaticContact CE2-CE1 3.38Å; Y134-H141 WeakPolarHBondContact CE2-CE1 3.28Å; Y134-H141 AromaticContact CE2-ND1 3.48Å; Y134-H141 WeakPolarHBondContact CE2-ND1 3.21Å; Y134-H141 AromaticContact CZ-CE1 3.91Å; Y134-H141 AromaticContact CZ-ND1 3.93Å; Y134-H141 PolarHBondContact O-CE1 2.92Å; Y134-H141 PolarHBondContact O-NE2 3.33Å; Y134-L267 HydrophobicContact CD1-CB 4.27Å; Y134-L267 HydrophobicContact CD1-CD1 3.71Å; Y134-L267 HydrophobicContact CD1-CD2 3.87Å; Y134-L267 HydrophobicContact CD1-CG 4.18Å; Y134-L267 HydrophobicContact CD2-CD1 4.13Å; Y134-L267 HydrophobicContact CE1-CB 4.23Å; Y134-L267 HydrophobicContact CE1-CD1 4.24Å; Y134-L267 HydrophobicContact CG-CD1 3.63Å; Y134-L267 HydrophobicContact CG-CD2 4.39Å; Y134-A270 HydrophobicContact CD1-CB 4.18Å; Y134-A270 HydrophobicContact CE1-CB 4.12Å; Y134-L271 HydrophobicContact CE1-CD1 4.41Å; Y134-L271 HydrophobicContact CE1-CG 3.94Å
135	K	97.2	Very high	98	Very high	140 Å²	140	52.9 Å²	52.9	61%	0.609	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-4.2	-179.1	-51.3	-167.5	-167.4	-162.6	0	114.4	K133 A270 L271	K133-K135 VanDerWaalsContact C-N 3.29Å; K133-K135 PolarHBondContact O-N 2.83Å; K135-A270 WeakPolarHBondContact CE-O 3.12Å; K135-A270 PolarHBondContact NZ-O 2.88Å; K135-L271 HydrophobicContact CB-CD2 4.24Å; K135-L271 HydrophobicContact CG-CD2 4.21Å
136	T	95.4	Very high	98	Very high	110 Å²	110	49.5 Å²	49.5	68%	0.675	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.8	-72.2	-167.5	56.1	0	0	0	0	113.2	K133 Y134	K133-T136 PolarHBondContact O-N 3.42Å; K133-T136 PolarHBondContact O-OG1 3.24Å; Y134-T136 VanDerWaalsContact C-N 3.33Å; Y134-T136 PolarHBondContact O-N 2.97Å
137	K	95.9	Very high	98	Very high	150 Å²	150	49.4 Å²	49.4	65%	0.652	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-2.9	-169.2	-62.9	-177.1	178.9	-178.1	0	113.8	K133 Q139	K133-K137 HydrophobicContact CB-CB 4.15Å; K133-K137 HydrophobicContact CD-CB 4.23Å; K133-K137 HydrophobicContact CG-CB 4.45Å; K133-K137 PolarHBondContact O-N 3.39Å; K137-Q139 WeakPolarHBondContact O-CG 3.3Å; K137-Q139 PolarHBondContact O-N 3.34Å
138	F	98	Very high	98	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.035	24%	0.237	C	C	.	.			trans	-67.1	128.7	174.8	-173.2	-107.6	0	0	0	110	V49 A126 V127 Q130 K133 Y134 Y140 H141 H144	V49-F138 HydrophobicContact CB-CE2 4.38Å; V49-F138 HydrophobicContact CB-CZ 4.34Å; V49-F138 HydrophobicContact CG1-CE1 4.22Å; V49-F138 HydrophobicContact CG1-CZ 4.07Å; V49-F138 HydrophobicContact CG2-CD2 4.05Å; V49-F138 HydrophobicContact CG2-CE2 3.81Å; V49-F138 HydrophobicContact CG2-CZ 4.22Å; A126-F138 HydrophobicContact CB-CD2 4.37Å; A126-F138 HydrophobicContact CB-CE2 3.94Å; V127-F138 HydrophobicContact CG2-CE2 4.35Å; V127-F138 HydrophobicContact CG2-CZ 4.12Å; Q130-F138 HydrophobicContact CB-CD2 3.93Å; K133-F138 PolarHBondContact O-N 3.2Å; Y134-F138 HydrophobicContact CD2-CB 4.5Å; Y134-F138 AromaticContact CD2-CD1 3.88Å; Y134-F138 HydrophobicContact CD2-CD1 3.88Å; Y134-F138 HydrophobicContact CD2-CE1 4.33Å; Y134-F138 HydrophobicContact CD2-CG 4.24Å; Y134-F138 HydrophobicContact CE2-CD1 4.1Å; Y134-F138 HydrophobicContact CE2-CE1 4.26Å; F138-Y140 HydrophobicContact CE2-CD2 4.35Å; F138-H141 AromaticContact CD1-CD2 3.92Å; F138-H141 AromaticContact CD1-CE1 3.66Å; F138-H141 AromaticContact CD1-CG 3.93Å; F138-H141 AromaticContact CD1-ND1 3.76Å; F138-H141 AromaticContact CD1-NE2 3.76Å; F138-H141 PolarHBondContact O-CD2 3.41Å; F138-H141 PolarHBondContact O-NE2 2.69Å; F138-H144 HydrophobicContact CE1-CB 4.31Å; F138-H144 HydrophobicContact CZ-CB 4.49Å
139	Q	96.8	Very high	98.1	Very high	74 Å²	74	45.9 Å²	45.9	35%	0.346	23%	0.225	S	C	.	.			trans	-116.6	21.6	-170.6	-56.7	-175.3	-8.6	0	0	113.1	E72 K137	E72-Q139 VanDerWaalsContact CD-C 3.42Å; E72-Q139 WeakPolarHBondContact CG-O 3.42Å; K137-Q139 WeakPolarHBondContact O-CG 3.3Å; K137-Q139 PolarHBondContact O-N 3.34Å
140	Y	98.5	Very high	98.1	Very high	21 Å²	21	39.9 Å²	39.9	8%	0.082	20%	0.199	C	C	.	.			trans	-133.8	32.7	-178	-54.5	-81.6	0	0	0	112	E72 F79 L119 E122 F123 A126 F138 T142 H144	E72-Y140 WeakPolarHBondContact OE1-CA 3.37Å; E72-Y140 PolarHBondContact OE1-N 2.97Å; E72-Y140 VanDerWaalsContact OE1-N 3.15Å; F79-Y140 AromaticContact CD2-CD1 3.88Å; F79-Y140 HydrophobicContact CD2-CD1 3.88Å; F79-Y140 HydrophobicContact CD2-CE1 4.2Å; F79-Y140 HydrophobicContact CE2-CD1 4.28Å; L119-Y140 HydrophobicContact CD1-CD1 4.4Å; L119-Y140 HydrophobicContact CD1-CE1 3.86Å; E122-Y140 WeakPolarHBondContact CB-OH 3.33Å; E122-Y140 PolarHBondContact OE2-OH 3.21Å; F123-Y140 HydrophobicContact CB-CD1 4.42Å; F123-Y140 HydrophobicContact CD2-CD1 4.19Å; F123-Y140 AromaticContact CD2-CG 3.84Å; F123-Y140 HydrophobicContact CD2-CG 3.84Å; A126-Y140 HydrophobicContact CB-CD2 3.59Å; A126-Y140 HydrophobicContact CB-CE2 3.6Å; F138-Y140 HydrophobicContact CE2-CD2 4.35Å; Y140-T142 VanDerWaalsContact C-N 3.29Å; Y140-T142 PolarHBondContact O-N 2.89Å; Y140-H144 WeakPolarHBondContact O-CB 3.26Å; Y140-H144 PolarHBondContact O-N 3.43Å
141	H	98.8	Very high	98.1	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.019	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-41	175.9	-74.3	-69.1	0	0	0	111.6	M60 F68 E72 Y134 F138 F145	M60-H141 HydrophobicContact CE-CB 3.77Å; F68-H141 HydrophobicContact CB-CB 4.08Å; F68-H141 HydrophobicContact CD1-CB 4.13Å; F68-H141 AromaticContact CD1-CD2 3.73Å; F68-H141 HydrophobicContact CD2-CB 3.53Å; F68-H141 AromaticContact CD2-CG 4Å; F68-H141 HydrophobicContact CE1-CB 4.42Å; F68-H141 AromaticContact CE1-CD2 3.46Å; F68-H141 VanDerWaalsContact CE1-CD2 3.46Å; F68-H141 WeakPolarHBondContact CE1-CD2 3.21Å; F68-H141 AromaticContact CE1-NE2 3.98Å; F68-H141 HydrophobicContact CE2-CB 3.85Å; F68-H141 AromaticContact CE2-CG 3.82Å; F68-H141 HydrophobicContact CG-CB 3.68Å; F68-H141 HydrophobicContact CZ-CB 4.28Å; F68-H141 AromaticContact CZ-CD2 3.65Å; F68-H141 AromaticContact CZ-CG 3.82Å; F68-H141 AromaticContact CZ-NE2 3.98Å; E72-H141 WeakPolarHBondContact OE1-CB 3.22Å; E72-H141 IonicContact OE1-CD2 2.97Å; E72-H141 PolarHBondContact OE1-N 2.94Å; Y134-H141 AromaticContact CD2-CE1 3.61Å; Y134-H141 AromaticContact CE2-CE1 3.38Å; Y134-H141 WeakPolarHBondContact CE2-CE1 3.28Å; Y134-H141 AromaticContact CE2-ND1 3.48Å; Y134-H141 WeakPolarHBondContact CE2-ND1 3.21Å; Y134-H141 AromaticContact CZ-CE1 3.91Å; Y134-H141 AromaticContact CZ-ND1 3.93Å; Y134-H141 PolarHBondContact O-CE1 2.92Å; Y134-H141 PolarHBondContact O-NE2 3.33Å; F138-H141 AromaticContact CD1-CD2 3.92Å; F138-H141 AromaticContact CD1-CE1 3.66Å; F138-H141 AromaticContact CD1-CG 3.93Å; F138-H141 AromaticContact CD1-ND1 3.76Å; F138-H141 AromaticContact CD1-NE2 3.76Å; F138-H141 PolarHBondContact O-CD2 3.41Å; F138-H141 PolarHBondContact O-NE2 2.69Å; H141-F145 WeakPolarHBondContact O-CB 3.37Å; H141-F145 PolarHBondContact O-N 3.47Å
142	T	98.8	Very high	98	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-53.6	-179.4	-55.1	0	0	0	0	111.4	V64 L69 E72 F79 W83 Y140 F145 Y146	V64-T142 HydrophobicContact CG1-CG2 3.75Å; L69-T142 WeakPolarHBondContact CA-OG1 3.46Å; L69-T142 HydrophobicContact CB-CG2 4.21Å; L69-T142 HydrophobicContact CD1-CG2 3.91Å; L69-T142 PolarHBondContact N-OG1 3.28Å; E72-T142 WeakPolarHBondContact OE2-CB 3.39Å; E72-T142 PolarHBondContact OE2-N 2.87Å; E72-T142 PolarHBondContact OE2-OG1 3.42Å; F79-T142 HydrophobicContact CZ-CG2 4.2Å; W83-T142 HydrophobicContact CH2-CG2 3.78Å; W83-T142 HydrophobicContact CZ2-CG2 4.07Å; W83-T142 HydrophobicContact CZ3-CG2 4.12Å; Y140-T142 VanDerWaalsContact C-N 3.29Å; Y140-T142 PolarHBondContact O-N 2.89Å; T142-F145 PolarHBondContact O-N 2.86Å; T142-Y146 HydrophobicContact CG2-CD2 3.81Å; T142-Y146 HydrophobicContact CG2-CE2 3.89Å; T142-Y146 VanDerWaalsContact O-CD2 3.3Å; T142-Y146 WeakPolarHBondContact O-CD2 3.3Å; T142-Y146 PolarHBondContact O-N 3.35Å
143	L	98.9	Very high	98	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-42.7	-178.9	-176.4	65.2	0	0	0	111.2	F79 A108 L119 F123 F145 L147	F79-L143 HydrophobicContact CE2-CB 3.92Å; A108-L143 HydrophobicContact CB-CD1 3.91Å; A108-L143 WeakPolarHBondContact O-CD1 3.49Å; L119-L143 HydrophobicContact CD2-CD2 3.72Å; L119-L143 HydrophobicContact CG-CD2 3.99Å; F123-L143 HydrophobicContact CB-CD2 4.03Å; F123-L143 HydrophobicContact CD1-CD2 3.82Å; F123-L143 HydrophobicContact CD2-CB 4.48Å; F123-L143 HydrophobicContact CD2-CD2 3.79Å; F123-L143 HydrophobicContact CD2-CG 4.33Å; F123-L143 HydrophobicContact CE1-CD2 4.18Å; F123-L143 HydrophobicContact CE1-CG 4.39Å; F123-L143 HydrophobicContact CE2-CB 4.27Å; F123-L143 HydrophobicContact CE2-CD2 4.14Å; F123-L143 HydrophobicContact CE2-CG 4.19Å; F123-L143 HydrophobicContact CG-CD2 3.59Å; F123-L143 HydrophobicContact CG-CG 4.46Å; F123-L143 HydrophobicContact CZ-CD2 4.32Å; F123-L143 HydrophobicContact CZ-CG 4.22Å; L143-F145 PolarHBondContact O-N 3.04Å; L143-L147 HydrophobicContact CD1-CD1 3.92Å; L143-L147 HydrophobicContact CD1-CD2 4.42Å; L143-L147 HydrophobicContact CD1-CG 3.9Å; L143-L147 HydrophobicContact CD2-CD1 4.42Å; L143-L147 HydrophobicContact CG-CD1 3.77Å; L143-L147 HydrophobicContact CG-CG 4.17Å; L143-L147 VanDerWaalsContact O-CB 3.28Å; L143-L147 WeakPolarHBondContact O-CB 3.36Å; L143-L147 WeakPolarHBondContact O-CG 3.26Å; L143-L147 PolarHBondContact O-N 3.14Å
144	H	98.9	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.1	-47.2	177.6	-170.7	-77.6	0	0	0	112	V49 D51 Y53 F123 F138 Y140 T148 F186	V49-H144 PolarHBondContact O-NE2 3.04Å; V49-H144 VanDerWaalsContact O-NE2 3.12Å; D51-H144 PolarHBondContact O-CE1 3.23Å; Y53-H144 AromaticContact CE2-ND1 3.46Å; Y53-H144 WeakPolarHBondContact CE2-ND1 3.13Å; Y53-H144 AromaticContact CZ-ND1 3.52Å; Y53-H144 PolarHBondContact OH-ND1 3.42Å; F123-H144 HydrophobicContact CE2-CB 3.99Å; F123-H144 HydrophobicContact CZ-CB 4.21Å; F138-H144 HydrophobicContact CE1-CB 4.31Å; F138-H144 HydrophobicContact CZ-CB 4.49Å; Y140-H144 WeakPolarHBondContact O-CB 3.26Å; Y140-H144 PolarHBondContact O-N 3.43Å; H144-T148 WeakPolarHBondContact O-CB 3.34Å; H144-T148 PolarHBondContact O-N 2.63Å; H144-T148 PolarHBondContact O-OG1 3.35Å; H144-F186 AromaticContact CD2-CE2 3.61Å; H144-F186 AromaticContact NE2-CE2 3.77Å
145	F	98.9	Very high	97.7	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.013	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-56.5	178.8	174	-111.9	0	0	0	111.7	Y53 E57 M60 E61 V64 H141 T142 L143 L147 T148 M149	Y53-F145 AromaticContact CD1-CD2 3.94Å; Y53-F145 HydrophobicContact CD1-CD2 3.94Å; Y53-F145 AromaticContact CD2-CD2 3.71Å; Y53-F145 HydrophobicContact CD2-CD2 3.71Å; Y53-F145 HydrophobicContact CD2-CE2 4.4Å; Y53-F145 HydrophobicContact CE1-CD2 4.15Å; Y53-F145 HydrophobicContact CE2-CB 4.13Å; Y53-F145 AromaticContact CE2-CD2 3.93Å; Y53-F145 HydrophobicContact CE2-CD2 3.93Å; Y53-F145 AromaticContact CG-CD2 3.7Å; Y53-F145 HydrophobicContact CG-CD2 3.7Å; Y53-F145 HydrophobicContact CG-CE2 4.12Å; E57-F145 WeakPolarHBondContact O-CZ 3.31Å; M60-F145 HydrophobicContact CB-CD2 3.84Å; M60-F145 HydrophobicContact CB-CE2 3.71Å; M60-F145 HydrophobicContact CB-CZ 4.28Å; M60-F145 HydrophobicContact CE-CB 4.18Å; M60-F145 HydrophobicContact CG-CB 4.15Å; M60-F145 HydrophobicContact CG-CD1 4.4Å; M60-F145 HydrophobicContact CG-CD2 3.34Å; M60-F145 HydrophobicContact CG-CE2 3.77Å; M60-F145 HydrophobicContact CG-CG 3.7Å; M60-F145 HydrophobicContact CG-CZ 4.45Å; E61-F145 HydrophobicContact CB-CE1 3.73Å; E61-F145 HydrophobicContact CB-CZ 3.76Å; E61-F145 HydrophobicContact CG-CE1 4.13Å; V64-F145 HydrophobicContact CG2-CB 4.24Å; V64-F145 HydrophobicContact CG2-CD1 4.05Å; V64-F145 HydrophobicContact CG2-CG 4.31Å; H141-F145 WeakPolarHBondContact O-CB 3.37Å; H141-F145 PolarHBondContact O-N 3.47Å; T142-F145 PolarHBondContact O-N 2.86Å; L143-F145 PolarHBondContact O-N 3.04Å; F145-L147 PolarHBondContact O-N 3.1Å; F145-T148 WeakPolarHBondContact O-CB 3.16Å; F145-T148 PolarHBondContact O-N 3.31Å; F145-T148 VanDerWaalsContact O-N 3.12Å; F145-M149 HydrophobicContact CD2-CG 3.94Å; F145-M149 HydrophobicContact CE1-CG 4.11Å; F145-M149 HydrophobicContact CE2-CE 4.35Å; F145-M149 HydrophobicContact CE2-CG 3.48Å; F145-M149 VanDerWaalsContact CE2-CG 3.48Å; F145-M149 HydrophobicContact CE2-SD 3.78Å; F145-M149 HydrophobicContact CG-CG 4.44Å; F145-M149 HydrophobicContact CZ-CG 3.58Å; F145-M149 HydrophobicContact CZ-SD 4.18Å; F145-M149 WeakPolarHBondContact O-CG 3.41Å; F145-M149 PolarHBondContact O-N 2.97Å
146	Y	98.9	Very high	97.1	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-68.7	-32.4	-174.8	-73.3	-56.8	0	0	0	113.5	V64 W83 E104 Q105 A108 T142 M149 A150	V64-Y146 HydrophobicContact CG1-CD2 4.37Å; V64-Y146 HydrophobicContact CG1-CE2 3.52Å; W83-Y146 AromaticContact CH2-CD2 3.84Å; W83-Y146 HydrophobicContact CH2-CD2 3.84Å; W83-Y146 HydrophobicContact CH2-CE2 4.34Å; W83-Y146 HydrophobicContact CZ2-CD2 4.46Å; E104-Y146 HydrophobicContact CB-CD1 3.69Å; E104-Y146 HydrophobicContact CB-CD2 3.88Å; E104-Y146 HydrophobicContact CB-CE1 3.46Å; E104-Y146 VanDerWaalsContact CB-CE1 3.46Å; E104-Y146 HydrophobicContact CB-CE2 3.62Å; E104-Y146 HydrophobicContact CB-CG 3.91Å; E104-Y146 VanDerWaalsContact CB-CZ 3.42Å; E104-Y146 HydrophobicContact CG-CE1 4.19Å; E104-Y146 HydrophobicContact CG-CE2 4Å; Q105-Y146 HydrophobicContact CG-CD1 4.31Å; A108-Y146 VanDerWaalsContact CB-CB 3.49Å; T142-Y146 HydrophobicContact CG2-CD2 3.81Å; T142-Y146 HydrophobicContact CG2-CE2 3.89Å; T142-Y146 VanDerWaalsContact O-CD2 3.3Å; T142-Y146 WeakPolarHBondContact O-CD2 3.3Å; T142-Y146 PolarHBondContact O-N 3.35Å; Y146-M149 PolarHBondContact O-N 2.96Å; Y146-A150 VanDerWaalsContact O-CB 3.27Å; Y146-A150 WeakPolarHBondContact O-CB 3.41Å; Y146-A150 PolarHBondContact O-N 3.23Å
147	L	98.9	Very high	96.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-46.4	169.4	-72.4	177.3	0	0	0	111	A108 L109 Y112 F123 L143 F145 M149 A150 L151 F186 L229	A108-L147 HydrophobicContact CB-CD2 4.15Å; A108-L147 HydrophobicContact CB-CG 4.28Å; L109-L147 HydrophobicContact CD2-CD2 3.84Å; Y112-L147 HydrophobicContact CD2-CD1 3.7Å; Y112-L147 HydrophobicContact CE2-CD1 4.42Å; Y112-L147 HydrophobicContact CG-CD1 4.04Å; Y112-L147 HydrophobicContact CG-CD2 4.37Å; F123-L147 HydrophobicContact CD1-CD1 4.42Å; F123-L147 HydrophobicContact CE1-CD1 3.54Å; F123-L147 HydrophobicContact CZ-CD1 3.86Å; L143-L147 HydrophobicContact CD1-CD1 3.92Å; L143-L147 HydrophobicContact CD1-CD2 4.42Å; L143-L147 HydrophobicContact CD1-CG 3.9Å; L143-L147 HydrophobicContact CD2-CD1 4.42Å; L143-L147 HydrophobicContact CG-CD1 3.77Å; L143-L147 HydrophobicContact CG-CG 4.17Å; L143-L147 VanDerWaalsContact O-CB 3.28Å; L143-L147 WeakPolarHBondContact O-CB 3.36Å; L143-L147 WeakPolarHBondContact O-CG 3.26Å; L143-L147 PolarHBondContact O-N 3.14Å; F145-L147 PolarHBondContact O-N 3.1Å; L147-M149 VanDerWaalsContact C-N 3.31Å; L147-M149 PolarHBondContact O-N 3.33Å; L147-A150 PolarHBondContact O-N 3.25Å; L147-L151 WeakPolarHBondContact O-CG 3.26Å; L147-L151 PolarHBondContact O-N 3.12Å; L147-F186 HydrophobicContact CB-CD1 4.2Å; L147-F186 HydrophobicContact CB-CE1 3.59Å; L147-F186 HydrophobicContact CB-CZ 3.78Å; L147-F186 HydrophobicContact CD1-CD1 4.25Å; L147-F186 HydrophobicContact CD1-CD2 4.45Å; L147-F186 HydrophobicContact CD1-CE1 4.37Å; L147-F186 HydrophobicContact CD1-CG 4.28Å; L147-L229 HydrophobicContact CD2-CD2 4.08Å
148	T	98.8	Very high	95.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.1	-44.8	178.4	-56.1	0	0	0	0	111.4	Y53 H144 F145 L151 R152 F186 Y233	Y53-T148 HydrophobicContact CD2-CG2 3.92Å; Y53-T148 HydrophobicContact CE2-CG2 4.29Å; H144-T148 WeakPolarHBondContact O-CB 3.34Å; H144-T148 PolarHBondContact O-N 2.63Å; H144-T148 PolarHBondContact O-OG1 3.35Å; F145-T148 WeakPolarHBondContact O-CB 3.16Å; F145-T148 PolarHBondContact O-N 3.31Å; F145-T148 VanDerWaalsContact O-N 3.12Å; T148-L151 PolarHBondContact O-N 2.75Å; T148-R152 WeakPolarHBondContact O-CG 3.4Å; T148-R152 PolarHBondContact O-N 3.01Å; T148-R152 VanDerWaalsContact O-N 3.09Å; T148-F186 WeakPolarHBondContact OG1-CZ 3.28Å; T148-Y233 HydrophobicContact CG2-CE1 4Å
149	M	98.7	Very high	94.8	Very high	17 Å²	17	34.9 Å²	34.9	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-67.2	-40.4	178.3	-62.2	-57.7	89.7	0	0	111.9	Y53 E57 Q105 F145 Y146 L147 L151 R152 T153	Y53-M149 HydrophobicContact CD2-CE 3.95Å; Y53-M149 HydrophobicContact CG-CE 4.4Å; E57-M149 HydrophobicContact CB-SD 4.24Å; E57-M149 HydrophobicContact CG-CE 4.48Å; E57-M149 HydrophobicContact CG-SD 3.7Å; Q105-M149 HydrophobicContact CG-CB 4.31Å; Q105-M149 VanDerWaalsContact NE2-CB 3.31Å; F145-M149 HydrophobicContact CD2-CG 3.94Å; F145-M149 HydrophobicContact CE1-CG 4.11Å; F145-M149 HydrophobicContact CE2-CE 4.35Å; F145-M149 HydrophobicContact CE2-CG 3.48Å; F145-M149 VanDerWaalsContact CE2-CG 3.48Å; F145-M149 HydrophobicContact CE2-SD 3.78Å; F145-M149 HydrophobicContact CG-CG 4.44Å; F145-M149 HydrophobicContact CZ-CG 3.58Å; F145-M149 HydrophobicContact CZ-SD 4.18Å; F145-M149 WeakPolarHBondContact O-CG 3.41Å; F145-M149 PolarHBondContact O-N 2.97Å; Y146-M149 PolarHBondContact O-N 2.96Å; L147-M149 VanDerWaalsContact C-N 3.31Å; L147-M149 PolarHBondContact O-N 3.33Å; M149-L151 PolarHBondContact O-N 3.04Å; M149-R152 PolarHBondContact O-N 2.96Å; M149-T153 PolarHBondContact O-N 2.95Å; M149-T153 PolarHBondContact O-OG1 3.35Å; M149-T153 VanDerWaalsContact O-OG1 3.09Å
150	A	98.6	Very high	94.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-47	176.4	0	0	0	0	0	111.8	L101 Q105 L109 Y146 L147 R152 T153 I154	L101-A150 HydrophobicContact CD2-CB 4.2Å; Q105-A150 HydrophobicContact CB-CB 3.87Å; Q105-A150 HydrophobicContact CG-CB 4.25Å; L109-A150 HydrophobicContact CD1-CB 4.05Å; L109-A150 HydrophobicContact CD2-CB 4.01Å; L109-A150 HydrophobicContact CG-CB 3.95Å; Y146-A150 VanDerWaalsContact O-CB 3.27Å; Y146-A150 WeakPolarHBondContact O-CB 3.41Å; Y146-A150 PolarHBondContact O-N 3.23Å; L147-A150 PolarHBondContact O-N 3.25Å; A150-R152 PolarHBondContact O-N 3.14Å; A150-T153 PolarHBondContact O-N 2.8Å; A150-I154 WeakPolarHBondContact O-CG1 3.15Å; A150-I154 PolarHBondContact O-N 3.33Å
151	L	98.2	Very high	94.2	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-41.6	178.5	-59.7	-178.4	0	0	0	111.7	L147 T148 M149 T153 I154 K155 F186 A214 I216 L229 P231	L147-L151 WeakPolarHBondContact O-CG 3.26Å; L147-L151 PolarHBondContact O-N 3.12Å; T148-L151 PolarHBondContact O-N 2.75Å; M149-L151 PolarHBondContact O-N 3.04Å; L151-T153 VanDerWaalsContact C-N 3.33Å; L151-T153 PolarHBondContact O-N 2.82Å; L151-I154 PolarHBondContact O-N 3.3Å; L151-K155 PolarHBondContact O-N 2.86Å; L151-F186 HydrophobicContact CD1-CD1 4.08Å; L151-F186 HydrophobicContact CD1-CE1 3.81Å; L151-A214 HydrophobicContact CB-CB 4.36Å; L151-A214 HydrophobicContact CD2-CB 3.61Å; L151-I216 HydrophobicContact CD2-CG2 3.94Å; L151-L229 HydrophobicContact CD1-CD2 4.47Å; L151-L229 HydrophobicContact CD1-CG 4.28Å; L151-L229 HydrophobicContact CD2-CB 3.97Å; L151-L229 HydrophobicContact CD2-CD2 4.29Å; L151-L229 HydrophobicContact CD2-CG 4.3Å; L151-P231 HydrophobicContact CD1-CB 3.95Å; L151-P231 HydrophobicContact CD1-CG 4.32Å
152	R	96.8	Very high	94	Very high	76 Å²	76	40.8 Å²	40.8	29%	0.287	21%	0.214	S	C	.	.	H	α-helix	trans	-64.4	-34.5	175.5	-74.2	175.4	62.4	-168	-7.9	112.5	M52 E57 T148 M149 A150 K155 P156	M52-R152 PolarHBondContact O-NH1 2.88Å; E57-R152 IonicContact OE1-CZ 2.69Å; E57-R152 VanDerWaalsContact OE1-CZ 3.26Å; E57-R152 IonicContact OE1-NH1 2.93Å; E57-R152 PolarHBondContact OE1-NH1 2.96Å; E57-R152 IonicContact OE1-NH2 2.71Å; E57-R152 PolarHBondContact OE1-NH2 2.87Å; T148-R152 WeakPolarHBondContact O-CG 3.4Å; T148-R152 PolarHBondContact O-N 3.01Å; T148-R152 VanDerWaalsContact O-N 3.09Å; M149-R152 PolarHBondContact O-N 2.96Å; A150-R152 PolarHBondContact O-N 3.14Å; R152-K155 CarbonylContact O-C 3.47Å; R152-P156 VanDerWaalsContact O-CA 3.22Å; R152-P156 WeakPolarHBondContact O-CA 3.19Å
153	T	97.2	Very high	94	Very high	52 Å²	52	44 Å²	44	32%	0.319	23%	0.234	S	C	.	.	H	α-helix	trans	-71.2	-44.6	175.5	-62.3	0	0	0	0	111.9	P100 L101 Q105 M149 A150 L151	P100-T153 HydrophobicContact CB-CG2 4.12Å; P100-T153 WeakPolarHBondContact O-CG2 3.29Å; L101-T153 HydrophobicContact CD2-CG2 3.79Å; Q105-T153 PolarHBondContact NE2-OG1 2.82Å; M149-T153 PolarHBondContact O-N 2.95Å; M149-T153 PolarHBondContact O-OG1 3.35Å; M149-T153 VanDerWaalsContact O-OG1 3.09Å; A150-T153 PolarHBondContact O-N 2.8Å; L151-T153 VanDerWaalsContact C-N 3.33Å; L151-T153 PolarHBondContact O-N 2.82Å
154	I	95.9	Very high	94	Very high	55 Å²	55	44 Å²	44	28%	0.282	23%	0.234	S	C	.	.	H	α-helix	trans	-70.4	-38.4	179.9	-62.2	162.3	0	0	0	110.8	L101 L109 A150 L151 P156 A214 I216 F219	L101-I154 HydrophobicContact CD1-CD1 4.24Å; L101-I154 HydrophobicContact CD1-CG1 4.44Å; L101-I154 HydrophobicContact CD2-CD1 4.43Å; L101-I154 HydrophobicContact CD2-CG1 4.03Å; L101-I154 HydrophobicContact CG-CG1 4.48Å; L109-I154 HydrophobicContact CD1-CD1 4.17Å; A150-I154 WeakPolarHBondContact O-CG1 3.15Å; A150-I154 PolarHBondContact O-N 3.33Å; L151-I154 PolarHBondContact O-N 3.3Å; I154-P156 WeakPolarHBondContact O-CD 3.37Å; I154-A214 HydrophobicContact CB-CB 3.84Å; I154-A214 HydrophobicContact CD1-CB 4.33Å; I154-A214 HydrophobicContact CG2-CB 3.75Å; I154-I216 HydrophobicContact CD1-CG2 4.06Å; I154-F219 HydrophobicContact CD1-CE2 4.3Å
155	K	92.9	Very high	94	Very high	32 Å²	32	45.6 Å²	45.6	14%	0.139	24%	0.241	C	C	.	.			trans	-127.5	76.5	-176.6	-164.6	161.6	-163.2	172	0	111	L151 R152 K157 N160 C211 G213 A214	L151-K155 PolarHBondContact O-N 2.86Å; R152-K155 CarbonylContact O-C 3.47Å; K155-K157 VanDerWaalsContact C-N 3.3Å; K155-K157 WeakPolarHBondContact CG-O 3.37Å; K155-K157 PolarHBondContact O-N 3.13Å; K155-N160 WeakPolarHBondContact CE-O 3.47Å; K155-N160 PolarHBondContact NZ-O 3.21Å; K155-C211 VanDerWaalsContact CD-O 3.27Å; K155-C211 WeakPolarHBondContact CD-O 3.38Å; K155-C211 WeakPolarHBondContact CE-O 3.32Å; K155-C211 PolarHBondContact NZ-O 3.08Å; K155-G213 WeakPolarHBondContact CD-O 3.39Å; K155-G213 PolarHBondContact NZ-O 2.68Å; K155-A214 HydrophobicContact CB-CB 4.07Å
156	P	86.3	Confident	93.9	Very high	110 Å²	110	48.2 Å²	48.2	71%	0.714	25%	0.25	S	S	*	.			trans	-71.4	-25	-176.2	27.7	-35.1	0	0	0	113.2	R152 I154	R152-P156 VanDerWaalsContact O-CA 3.22Å; R152-P156 WeakPolarHBondContact O-CA 3.19Å; I154-P156 WeakPolarHBondContact O-CD 3.37Å
157	K	82.9	Confident	93.8	Very high	135 Å²	135	49.2 Å²	49.2	59%	0.587	25%	0.254	S	S	*	.			trans	-117.2	140.9	178.6	-63.3	-173.3	178.9	-172.3	0	111	K155 E159	K155-K157 VanDerWaalsContact C-N 3.3Å; K155-K157 WeakPolarHBondContact CG-O 3.37Å; K155-K157 PolarHBondContact O-N 3.13Å; K157-E159 VanDerWaalsContact C-N 3.34Å
158	A	81.1	Confident	93.6	Very high	16 Å²	16	50.2 Å²	50.2	13%	0.132	26%	0.26	C	S	.	.	S	Bend	trans	-89.4	3	179.3	0	0	0	0	0	113.6	N160 C161 C211 F212 N261	A158-N160 PolarHBondContact O-N 3.31Å; A158-C161 PolarHBondContact O-SG 3.08Å; A158-C211 HydrophobicContact CB-CB 4.13Å; A158-C211 WeakPolarHBondContact O-CB 3.32Å; A158-F212 HydrophobicContact CB-CD1 4.11Å; A158-F212 HydrophobicContact CB-CD2 4.39Å; A158-F212 HydrophobicContact CB-CE1 3.58Å; A158-F212 HydrophobicContact CB-CE2 3.89Å; A158-F212 HydrophobicContact CB-CG 4.49Å; A158-F212 HydrophobicContact CB-CZ 3.44Å; A158-F212 VanDerWaalsContact CB-CZ 3.44Å; A158-N261 WeakPolarHBondContact CB-OD1 3.38Å; A158-N261 PolarHBondContact O-OD1 3.35Å
159	E	76.9	Confident	93.3	Very high	132 Å²	132	54.6 Å²	54.6	62%	0.617	28%	0.284	S	S	*	.	S	Bend	trans	-68.2	-33.7	-176.1	-68.2	162.8	-171.5	0	0	113.4	K157 C161	K157-E159 VanDerWaalsContact C-N 3.34Å; E159-C161 PolarHBondContact O-N 2.85Å
160	N	86.6	Confident	93	Very high	127 Å²	127	55.3 Å²	55.3	68%	0.679	29%	0.29	S	S	*	.	S	Bend	trans	-97.5	74.5	-174.1	-67.3	-28.6	0	0	0	111.7	K155 A158	K155-N160 WeakPolarHBondContact CE-O 3.47Å; K155-N160 PolarHBondContact NZ-O 3.21Å; A158-N160 PolarHBondContact O-N 3.31Å
161	C	95.1	Very high	92.8	Very high	53 Å²	53	60.5 Å²	60.5	36%	0.358	31%	0.313	S	S	.	.			trans	-69.2	146.2	179.8	-40.6	0	0	0	0	111.4	A158 E159 T210 C211	A158-C161 PolarHBondContact O-SG 3.08Å; E159-C161 PolarHBondContact O-N 2.85Å; C161-T210 CarbonylContact C-O 3.43Å; C161-T210 WeakPolarHBondContact CA-O 3.37Å; C161-C211 HydrophobicContact CB-CB 4.06Å; C161-C211 WeakPolarHBondContact CB-SG 3.27Å; C161-C211 WeakPolarHBondContact SG-CB 3.49Å; C161-C211 CovalentContact SG-SG 2.03Å; C161-C211 PolarHBondContact SG-SG 2.92Å
162	V	95.8	Very high	92.7	Very high	42 Å²	42	61.7 Å²	61.7	26%	0.255	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.9	-178.5	-65.5	0	0	0	0	110.2	V164 M191 S209 T210	V162-V164 HydrophobicContact CG2-CG1 4.02Å; V162-M191 HydrophobicContact CB-CE 3.97Å; V162-M191 HydrophobicContact CB-SD 4.44Å; V162-M191 HydrophobicContact CG1-CE 4.21Å; V162-M191 HydrophobicContact CG2-CE 4.05Å; V162-S209 CarbonylContact O-C 3.39Å; V162-S209 WeakPolarHBondContact O-CA 3.18Å; V162-T210 HydrophobicContact CG2-CG2 3.83Å; V162-T210 PolarHBondContact N-O 2.91Å; V162-T210 PolarHBondContact O-N 2.63Å
163	T	97.9	Very high	92.4	Very high	68 Å²	68	58.9 Å²	58.9	42%	0.417	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.2	175.1	-59.5	0	0	0	0	110.1	F165 E207 I208	T163-F165 HydrophobicContact CG2-CE1 4.43Å; T163-F165 HydrophobicContact CG2-CE2 4.33Å; T163-F165 HydrophobicContact CG2-CZ 3.96Å; T163-E207 HydrophobicContact CG2-CG 4.07Å; T163-I208 CarbonylContact C-O 3.58Å; T163-I208 VanDerWaalsContact CA-O 3.32Å; T163-I208 WeakPolarHBondContact CA-O 3.1Å
164	V	98.5	Very high	92.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	158.5	-175.7	-60.2	0	0	0	0	110.7	V162 S189 S190 M191 I208 T210 V228 I230	V162-V164 HydrophobicContact CG2-CG1 4.02Å; V164-S189 WeakPolarHBondContact CB-OG 3.33Å; V164-S189 WeakPolarHBondContact CG2-OG 3.35Å; V164-S190 WeakPolarHBondContact CA-O 3.31Å; V164-M191 HydrophobicContact CG1-CE 4.35Å; V164-M191 HydrophobicContact CG1-SD 4.12Å; V164-I208 HydrophobicContact CG2-CB 3.88Å; V164-I208 HydrophobicContact CG2-CG2 4.47Å; V164-I208 WeakPolarHBondContact CG2-O 3.36Å; V164-I208 PolarHBondContact N-O 3.16Å; V164-I208 PolarHBondContact O-N 3.31Å; V164-T210 HydrophobicContact CG1-CG2 4.31Å; V164-T210 HydrophobicContact CG2-CG2 3.73Å; V164-V228 HydrophobicContact CB-CB 4.49Å; V164-V228 HydrophobicContact CG1-CB 3.74Å; V164-V228 HydrophobicContact CG1-CG1 3.93Å; V164-V228 HydrophobicContact CG1-CG2 3.69Å; V164-I230 HydrophobicContact CG2-CD1 4.1Å
165	F	98.5	Very high	92.1	Very high	34 Å²	34	64.2 Å²	64.2	15%	0.149	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.2	-168.6	-58.4	-83.4	0	0	0	111.4	T163 S189 S190 G192 Y194 F206 E207	T163-F165 HydrophobicContact CG2-CE1 4.43Å; T163-F165 HydrophobicContact CG2-CE2 4.33Å; T163-F165 HydrophobicContact CG2-CZ 3.96Å; F165-S189 CarbonylContact O-C 3.6Å; F165-S189 WeakPolarHBondContact O-CA 3.34Å; F165-S190 PolarHBondContact N-O 3.31Å; F165-S190 PolarHBondContact O-N 3.13Å; F165-G192 WeakPolarHBondContact CE2-O 3.33Å; F165-Y194 HydrophobicContact CB-CD1 3.7Å; F165-Y194 HydrophobicContact CB-CD2 4.33Å; F165-Y194 HydrophobicContact CB-CE1 3.95Å; F165-Y194 HydrophobicContact CB-CG 3.9Å; F165-Y194 HydrophobicContact CD1-CD1 4.38Å; F165-Y194 AromaticContact CD1-CD2 3.95Å; F165-Y194 HydrophobicContact CD1-CD2 3.95Å; F165-Y194 HydrophobicContact CD1-CE1 4Å; F165-Y194 AromaticContact CD1-CE2 3.54Å; F165-Y194 HydrophobicContact CD1-CE2 3.54Å; F165-Y194 HydrophobicContact CD1-CG 4.35Å; F165-Y194 AromaticContact CD1-CZ 3.59Å; F165-Y194 HydrophobicContact CE1-CE2 4.11Å; F165-Y194 HydrophobicContact CG-CD1 4.47Å; F165-Y194 HydrophobicContact CG-CD2 4.35Å; F165-Y194 HydrophobicContact CG-CE1 4.47Å; F165-Y194 HydrophobicContact CG-CE2 4.36Å; F165-Y194 HydrophobicContact CG-CG 4.41Å; F165-F206 WeakPolarHBondContact CA-O 3.4Å; F165-E207 HydrophobicContact CD1-CB 4.35Å; F165-E207 HydrophobicContact CD1-CG 4.36Å; F165-E207 HydrophobicContact CE1-CB 4.29Å; F165-E207 HydrophobicContact CE1-CG 3.85Å
166	R	97.9	Very high	92.3	Very high	57 Å²	57	62.9 Å²	62.9	22%	0.215	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.6	-179	176.3	-179.7	174.1	74	8.2	110.9	S188 C205 F206 I208	R166-S188 WeakPolarHBondContact CD-O 3.28Å; R166-S188 PolarHBondContact NH1-O 3.43Å; R166-C205 CarbonylContact O-C 3.57Å; R166-C205 VanDerWaalsContact O-CA 3.32Å; R166-C205 WeakPolarHBondContact O-CA 3.48Å; R166-F206 HydrophobicContact CB-CB 4.3Å; R166-F206 PolarHBondContact N-O 3.21Å; R166-F206 PolarHBondContact O-N 2.94Å; R166-I208 HydrophobicContact CB-CD1 4.46Å
167	R	96.6	Very high	92.8	Very high	25 Å²	25	61.6 Å²	61.6	9%	0.094	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	151.2	171.6	-75.1	176.5	179.8	-82.4	-6.5	111.7	Y194 P195 F200 G201 P250	R167-Y194 HydrophobicContact CG-CD1 3.94Å; R167-Y194 HydrophobicContact CG-CG 4.49Å; R167-P195 HydrophobicContact CB-CG 4.26Å; R167-P195 WeakPolarHBondContact CD-O 3.36Å; R167-P195 HydrophobicContact CG-CG 4.37Å; R167-P195 PolarHBondContact NE-O 3.33Å; R167-F200 HydrophobicContact CB-CB 3.55Å; R167-G201 WeakPolarHBondContact CD-O 3.48Å; R167-G201 PolarHBondContact NH1-O 2.56Å; R167-P250 PolarHBondContact NH1-O 3.38Å; R167-P250 PolarHBondContact NH2-O 3.04Å
168	T	93.8	Very high	93.5	Very high	21 Å²	21	60.2 Å²	60.2	13%	0.129	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	149.2	169.4	-178.4	0	0	0	0	111.9	C170 F172 F200 Q203 S204 F206	T168-C170 HydrophobicContact CG2-CB 4.19Å; T168-C170 PolarHBondContact O-N 3.22Å; T168-C170 PolarHBondContact OG1-N 3.14Å; T168-F172 HydrophobicContact CG2-CE2 3.61Å; T168-F172 HydrophobicContact CG2-CZ 4.18Å; T168-F200 CarbonylContact C-O 3.26Å; T168-F200 VanDerWaalsContact C-O 3.26Å; T168-F200 WeakPolarHBondContact CA-O 3.43Å; T168-Q203 PolarHBondContact O-N 3.33Å; T168-S204 PolarHBondContact N-O 3.35Å; T168-S204 PolarHBondContact O-N 3.18Å; T168-F206 HydrophobicContact CG2-CE2 4.01Å
169	N	93	Very high	94.4	Very high	93 Å²	93	64.7 Å²	64.7	50%	0.497	33%	0.329	S	S	.	.	S	Bend	trans	-77.6	4.5	169.9	-82.3	-42.2	0	0	0	114.3	F200 G201	N169-F200 PolarHBondContact N-O 2.91Å; N169-G201 WeakPolarHBondContact OD1-CA 3.32Å
170	C	92.4	Very high	95.4	Very high	31 Å²	31	62.2 Å²	62.2	21%	0.209	32%	0.317	C	S	.	.			trans	-84.4	140.6	177.3	-66.7	0	0	0	0	111.7	I40 T168 F172 S204	I40-C170 HydrophobicContact CD1-CB 3.81Å; T168-C170 HydrophobicContact CG2-CB 4.19Å; T168-C170 PolarHBondContact O-N 3.22Å; T168-C170 PolarHBondContact OG1-N 3.14Å; C170-F172 HydrophobicContact CB-CE2 3.71Å; C170-F172 HydrophobicContact CB-CZ 3.8Å; C170-F172 WeakPolarHBondContact O-CE2 3.5Å; C170-S204 VanDerWaalsContact O-CB 3.27Å; C170-S204 WeakPolarHBondContact O-CB 3.26Å; C170-S204 PolarHBondContact O-OG 3.09Å; C170-S204 VanDerWaalsContact O-OG 3.04Å
171	K	94.8	Very high	95.9	Very high	109 Å²	109	56.2 Å²	56.2	47%	0.474	29%	0.285	S	S	.	.			trans	-87.7	141	167.8	-67.1	-179.8	179.1	179.7	0	109.8	P39 I40 Q203	P39-K171 HydrophobicContact CB-CB 4.49Å; I40-K171 PolarHBondContact N-O 3.26Å; K171-Q203 HydrophobicContact CB-CG 4.42Å; K171-Q203 HydrophobicContact CD-CG 4.45Å; K171-Q203 VanDerWaalsContact CG-CD 3.44Å; K171-Q203 HydrophobicContact CG-CG 3.4Å; K171-Q203 VanDerWaalsContact CG-CG 3.4Å
172	F	94.8	Very high	96.1	Very high	28 Å²	28	54 Å²	54	12%	0.123	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-122.2	156.6	176.6	-61.9	-90.5	0	0	0	112.7	I40 L42 T168 C170 F206 Y255	I40-F172 HydrophobicContact CB-CD1 3.69Å; I40-F172 HydrophobicContact CB-CE1 3.89Å; I40-F172 HydrophobicContact CB-CG 4.5Å; I40-F172 HydrophobicContact CD1-CE1 4.26Å; I40-F172 HydrophobicContact CG2-CD1 3.92Å; I40-F172 HydrophobicContact CG2-CE1 3.86Å; I40-F172 CarbonylContact O-C 3.59Å; I40-F172 WeakPolarHBondContact O-CA 3.37Å; L42-F172 HydrophobicContact CD1-CB 3.93Å; L42-F172 HydrophobicContact CD1-CD1 4.24Å; L42-F172 HydrophobicContact CD1-CG 4.21Å; L42-F172 HydrophobicContact CD2-CD1 3.43Å; L42-F172 VanDerWaalsContact CD2-CD1 3.43Å; L42-F172 HydrophobicContact CD2-CE1 3.78Å; L42-F172 HydrophobicContact CD2-CG 4.17Å; L42-F172 HydrophobicContact CG-CB 4.02Å; L42-F172 HydrophobicContact CG-CD1 3.64Å; L42-F172 HydrophobicContact CG-CE1 4.47Å; L42-F172 HydrophobicContact CG-CG 4.09Å; T168-F172 HydrophobicContact CG2-CE2 3.61Å; T168-F172 HydrophobicContact CG2-CZ 4.18Å; C170-F172 HydrophobicContact CB-CE2 3.71Å; C170-F172 HydrophobicContact CB-CZ 3.8Å; C170-F172 WeakPolarHBondContact O-CE2 3.5Å; F172-F206 HydrophobicContact CD2-CE2 4.16Å; F172-F206 AromaticContact CD2-CZ 3.81Å; F172-F206 HydrophobicContact CD2-CZ 3.81Å; F172-F206 HydrophobicContact CE1-CZ 4.45Å; F172-F206 AromaticContact CE2-CE2 3.71Å; F172-F206 HydrophobicContact CE2-CE2 3.71Å; F172-F206 AromaticContact CE2-CZ 3.69Å; F172-F206 HydrophobicContact CE2-CZ 3.69Å; F172-F206 HydrophobicContact CG-CZ 4.27Å; F172-F206 HydrophobicContact CZ-CE2 4.18Å; F172-F206 HydrophobicContact CZ-CZ 4.02Å; F172-Y255 HydrophobicContact CB-CE1 4.47Å; F172-Y255 HydrophobicContact CB-CE2 4.21Å; F172-Y255 HydrophobicContact CD2-CE2 4.38Å; F172-Y255 PolarHBondContact O-OH 2.88Å; F172-Y255 VanDerWaalsContact O-OH 3.11Å
173	S	92.1	Very high	96.1	Very high	17 Å²	17	53.2 Å²	53.2	12%	0.119	26%	0.264	C	S	.	.			trans	-65	131.4	173.9	62.5	0	0	0	0	110.9	I40 K41 L42 N175 V176	I40-S173 PolarHBondContact O-N 3.21Å; K41-S173 WeakPolarHBondContact CA-OG 3.37Å; L42-S173 PolarHBondContact N-OG 3.25Å; S173-N175 WeakPolarHBondContact CB-OD1 3.28Å; S173-V176 WeakPolarHBondContact O-CG2 3.24Å
174	K	93.3	Very high	95.9	Very high	104 Å²	104	50.1 Å²	50.1	45%	0.452	25%	0.245	S	C	.	.	S	Bend	trans	-89.2	-11.3	-176.8	-55.2	179.4	-170	-178.2	0	113.6	V176 I241	K174-V176 PolarHBondContact O-N 3Å; K174-I241 WeakPolarHBondContact O-CD1 3.41Å
175	N	93.5	Very high	95.9	Very high	114 Å²	114	50.1 Å²	50.1	61%	0.61	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	46.8	-180	64.6	-20.2	0	0	0	112.7	S173 K179	S173-N175 WeakPolarHBondContact CB-OD1 3.28Å; N175-K179 WeakPolarHBondContact O-CE 3.44Å; N175-K179 PolarHBondContact O-NZ 2.82Å
176	V	96.3	Very high	95.9	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.024	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	2.5	-173.1	-59.8	0	0	0	0	114	L42 S173 K174 N178 K179 V238 I241 Y255	L42-V176 HydrophobicContact CB-CG1 4.21Å; L42-V176 HydrophobicContact CB-CG2 4.45Å; L42-V176 HydrophobicContact CD1-CG2 4.09Å; S173-V176 WeakPolarHBondContact O-CG2 3.24Å; K174-V176 PolarHBondContact O-N 3Å; V176-N178 PolarHBondContact O-N 3.18Å; V176-K179 WeakPolarHBondContact O-CB 3.12Å; V176-K179 PolarHBondContact O-N 3.4Å; V176-K179 VanDerWaalsContact O-N 3.08Å; V176-V238 HydrophobicContact CB-CG2 4.45Å; V176-V238 HydrophobicContact CG2-CG1 4.41Å; V176-V238 HydrophobicContact CG2-CG2 4.24Å; V176-V238 VanDerWaalsContact O-CB 3.26Å; V176-V238 WeakPolarHBondContact O-CB 3.41Å; V176-V238 WeakPolarHBondContact O-CG2 3.43Å; V176-I241 HydrophobicContact CG2-CD1 3.9Å; V176-Y255 HydrophobicContact CG2-CE1 4.45Å
177	L	97.4	Very high	95.9	Very high	83 Å²	83	46 Å²	46	44%	0.435	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	138.4	172.4	-174.7	64.1	0	0	0	110.4	K179 I241	L177-K179 PolarHBondContact O-N 2.82Å; L177-K179 VanDerWaalsContact O-N 3.11Å; L177-I241 HydrophobicContact CB-CD1 4.17Å
178	N	97.8	Very high	96	Very high	106 Å²	106	46.2 Å²	46.2	57%	0.567	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	3.2	-176.1	-61.9	-41.4	0	0	0	116.1	V176 V238	V176-N178 PolarHBondContact O-N 3.18Å; N178-V238 WeakPolarHBondContact CA-O 3.33Å; N178-V238 PolarHBondContact N-O 3.25Å
179	K	98.3	Very high	96.2	Very high	110 Å²	110	45.6 Å²	45.6	48%	0.478	23%	0.231	S	C	.	.			trans	-89.2	154	174.8	-57.6	-171.2	-175.9	165.7	0	111.4	N175 V176 L177 V238	N175-K179 WeakPolarHBondContact O-CE 3.44Å; N175-K179 PolarHBondContact O-NZ 2.82Å; V176-K179 WeakPolarHBondContact O-CB 3.12Å; V176-K179 PolarHBondContact O-N 3.4Å; V176-K179 VanDerWaalsContact O-N 3.08Å; L177-K179 PolarHBondContact O-N 2.82Å; L177-K179 VanDerWaalsContact O-N 3.11Å; K179-V238 PolarHBondContact O-N 3.06Å
180	E	98.5	Very high	96.4	Very high	81 Å²	81	41.5 Å²	41.5	38%	0.379	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	140.2	167.4	-67.8	-174.3	172.1	0	0	110.6	M44 V235 F236 T260 R262	M44-E180 VanDerWaalsContact SD-C 3.52Å; M44-E180 HydrophobicContact SD-CB 3.79Å; M44-E180 VanDerWaalsContact SD-O 3.41Å; E180-V235 HydrophobicContact CB-CG1 3.95Å; E180-V235 HydrophobicContact CG-CG1 4.2Å; E180-F236 CarbonylContact C-O 3.54Å; E180-F236 VanDerWaalsContact CA-O 3.26Å; E180-F236 WeakPolarHBondContact CA-O 3.39Å; E180-T260 HydrophobicContact CG-CG2 4.37Å; E180-R262 IonicContact OE1-NH2 2.75Å; E180-R262 PolarHBondContact OE1-NH2 2.83Å
181	I	98.4	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	163.3	178.2	67.5	157	0	0	0	110.5	L42 D43 F236 V238 L257	L42-I181 HydrophobicContact CB-CD1 4.2Å; L42-I181 HydrophobicContact CB-CG2 3.96Å; L42-I181 HydrophobicContact CD1-CD1 4.34Å; L42-I181 HydrophobicContact CD2-CD1 4.12Å; L42-I181 HydrophobicContact CG-CD1 4.45Å; D43-I181 CarbonylContact O-C 3.57Å; D43-I181 WeakPolarHBondContact O-CA 3.46Å; I181-F236 HydrophobicContact CG1-CB 4.24Å; I181-F236 PolarHBondContact N-O 2.03Å; I181-F236 PolarHBondContact O-N 2.92Å; I181-V238 HydrophobicContact CD1-CG2 4.21Å; I181-V238 HydrophobicContact CG1-CG2 4.12Å; I181-V238 HydrophobicContact CG2-CG2 4.07Å; I181-L257 HydrophobicContact CD1-CD1 4.01Å; I181-L257 HydrophobicContact CD1-CD2 3.78Å; I181-L257 HydrophobicContact CG1-CD2 4.35Å
182	R	98.1	Very high	96.4	Very high	6 Å²	6	39.8 Å²	39.8	2%	0.023	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147	163.2	-63.5	-167.2	-63.9	158	7.3	109.5	D43 M44 A45 D50 G184 E234 V235 L264 N266	D43-R182 PolarHBondContact O-N 2.91Å; M44-R182 HydrophobicContact CE-CG 4.38Å; M44-R182 VanDerWaalsContact O-CZ 3.26Å; M44-R182 PolarHBondContact O-NE 3.38Å; M44-R182 PolarHBondContact O-NH2 3.37Å; M44-R182 HydrophobicContact SD-CG 4.48Å; A45-R182 HydrophobicContact CB-CB 4.01Å; A45-R182 PolarHBondContact O-NH2 3.04Å; D50-R182 IonicContact OD2-CZ 3.47Å; D50-R182 IonicContact OD2-NH1 3.09Å; D50-R182 PolarHBondContact OD2-NH1 2.97Å; D50-R182 IonicContact OD2-NH2 3.28Å; D50-R182 PolarHBondContact OD2-NH2 3.19Å; D50-R182 VanDerWaalsContact OD2-NH2 3.14Å; R182-G184 PolarHBondContact O-N 2.83Å; R182-E234 WeakPolarHBondContact CG-O 3.07Å; R182-V235 HydrophobicContact CG-CB 4.5Å; R182-V235 HydrophobicContact CG-CG2 3.91Å; R182-L264 PolarHBondContact NH1-O 3.36Å; R182-N266 PolarHBondContact NH2-ND2 2.86Å
183	L	97	Very high	96.4	Very high	27 Å²	27	43 Å²	43	14%	0.141	23%	0.233	C	C	.	.			trans	-71.6	-18.2	178.6	-60.1	175.9	0	0	0	112.7	A185 S187 I208 I230 F236 L257	L183-A185 PolarHBondContact O-N 3.16Å; L183-A185 VanDerWaalsContact O-N 3.14Å; L183-S187 VanDerWaalsContact CB-OG 3.31Å; L183-S187 WeakPolarHBondContact CB-OG 3.3Å; L183-S187 VanDerWaalsContact CD1-CB 3.49Å; L183-I208 HydrophobicContact CD1-CD1 4.3Å; L183-I230 HydrophobicContact CD1-CD1 4.24Å; L183-I230 HydrophobicContact CD1-CG2 4.15Å; L183-F236 HydrophobicContact CD1-CE2 4.09Å; L183-F236 HydrophobicContact CG-CD2 4.43Å; L183-F236 HydrophobicContact CG-CE2 4.11Å; L183-L257 HydrophobicContact CD2-CD1 4.05Å
184	G	93.9	Very high	96.5	Very high	3 Å²	3	43.8 Å²	43.8	3%	0.031	23%	0.233	C	C	.	.			trans	76.1	-4	167.7	0	0	0	0	0	116.3	S48 R128 R182	S48-G184 WeakPolarHBondContact CB-O 3.43Å; S48-G184 VanDerWaalsContact OG-C 3.26Å; S48-G184 PolarHBondContact OG-O 3.08Å; R128-G184 WeakPolarHBondContact CA-O 3.07Å; R182-G184 PolarHBondContact O-N 2.83Å
185	A	97.8	Very high	96.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-150	173.1	164.6	0	0	0	0	0	109.7	N124 V127 R128 L183 S187	N124-A185 HydrophobicContact CB-CB 4.03Å; V127-A185 HydrophobicContact CB-CB 4.03Å; V127-A185 HydrophobicContact CG1-CB 3.81Å; R128-A185 HydrophobicContact CG-CB 3.69Å; L183-A185 PolarHBondContact O-N 3.16Å; L183-A185 VanDerWaalsContact O-N 3.14Å; A185-S187 PolarHBondContact O-N 3.04Å; A185-S187 PolarHBondContact O-OG 3.27Å
186	F	98.6	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.			trans	-52.2	126.3	163.6	-71.9	-92.3	0	0	0	109.3	Y112 F123 N124 H144 L147 T148 L151 L229 I230 P232	Y112-F186 HydrophobicContact CE2-CB 4Å; Y112-F186 PolarHBondContact OH-O 3.45Å; F123-F186 HydrophobicContact CE1-CB 4.2Å; F123-F186 AromaticContact CE1-CD2 3.48Å; F123-F186 HydrophobicContact CE1-CD2 3.48Å; F123-F186 VanDerWaalsContact CE1-CD2 3.48Å; F123-F186 HydrophobicContact CE1-CE2 4.13Å; F123-F186 HydrophobicContact CE1-CG 4.03Å; F123-F186 AromaticContact CZ-CD2 3.55Å; F123-F186 HydrophobicContact CZ-CD2 3.55Å; F123-F186 AromaticContact CZ-CE2 3.74Å; F123-F186 HydrophobicContact CZ-CE2 3.74Å; F123-F186 HydrophobicContact CZ-CG 4.46Å; N124-F186 PolarHBondContact ND2-O 2.9Å; N124-F186 PolarHBondContact OD1-O 3.28Å; H144-F186 AromaticContact CD2-CE2 3.61Å; H144-F186 AromaticContact NE2-CE2 3.77Å; L147-F186 HydrophobicContact CB-CD1 4.2Å; L147-F186 HydrophobicContact CB-CE1 3.59Å; L147-F186 HydrophobicContact CB-CZ 3.78Å; L147-F186 HydrophobicContact CD1-CD1 4.25Å; L147-F186 HydrophobicContact CD1-CD2 4.45Å; L147-F186 HydrophobicContact CD1-CE1 4.37Å; L147-F186 HydrophobicContact CD1-CG 4.28Å; T148-F186 WeakPolarHBondContact OG1-CZ 3.28Å; L151-F186 HydrophobicContact CD1-CD1 4.08Å; L151-F186 HydrophobicContact CD1-CE1 3.81Å; F186-L229 HydrophobicContact CB-CD1 4.05Å; F186-L229 HydrophobicContact CD1-CD2 4.02Å; F186-L229 HydrophobicContact CD1-CG 4.16Å; F186-I230 WeakPolarHBondContact CA-O 3.36Å; F186-P232 HydrophobicContact CD2-CG 4.33Å; F186-P232 HydrophobicContact CE2-CG 4.04Å; F186-P232 HydrophobicContact CZ-CG 4.44Å
187	S	97.8	Very high	96.1	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.028	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	108.9	-169.7	-66.3	0	0	0	0	110.1	L183 A185 I230	L183-S187 VanDerWaalsContact CB-OG 3.31Å; L183-S187 WeakPolarHBondContact CB-OG 3.3Å; L183-S187 VanDerWaalsContact CD1-CB 3.49Å; A185-S187 PolarHBondContact O-N 3.04Å; A185-S187 PolarHBondContact O-OG 3.27Å; S187-I230 PolarHBondContact N-O 2.89Å; S187-I230 WeakPolarHBondContact O-CB 3.36Å; S187-I230 PolarHBondContact O-N 3.41Å
188	S	97.6	Very high	95.8	Very high	30 Å²	30	48.1 Å²	48.1	21%	0.21	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	138.6	174.6	-53.2	0	0	0	0	110.9	Y112 R166 E227	Y112-S188 WeakPolarHBondContact CE1-OG 3.06Å; Y112-S188 PolarHBondContact OH-OG 2.99Å; Y112-S188 VanDerWaalsContact OH-OG 3.08Å; R166-S188 WeakPolarHBondContact CD-O 3.28Å; R166-S188 PolarHBondContact NH1-O 3.43Å; S188-E227 WeakPolarHBondContact CB-OE1 3.38Å; S188-E227 PolarHBondContact OG-OE1 2.88Å
189	S	98	Very high	95.3	Very high	7 Å²	7	47.5 Å²	47.5	5%	0.049	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	166.2	174	56.6	0	0	0	0	108.4	V164 F165 E227 V228	V164-S189 WeakPolarHBondContact CB-OG 3.33Å; V164-S189 WeakPolarHBondContact CG2-OG 3.35Å; F165-S189 CarbonylContact O-C 3.6Å; F165-S189 WeakPolarHBondContact O-CA 3.34Å; S189-E227 CarbonylContact O-C 3.58Å; S189-E227 VanDerWaalsContact O-CA 3.3Å; S189-E227 WeakPolarHBondContact O-CA 3.46Å; S189-V228 PolarHBondContact N-O 2.93Å; S189-V228 PolarHBondContact O-N 2.75Å; S189-V228 PolarHBondContact OG-O 2.9Å
190	S	97.6	Very high	94.9	Very high	7 Å²	7	45.4 Å²	45.4	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.2	179.6	-169.8	0	0	0	0	110.2	V164 F165 D193 E225	V164-S190 WeakPolarHBondContact CA-O 3.31Å; F165-S190 PolarHBondContact N-O 3.31Å; F165-S190 PolarHBondContact O-N 3.13Å; S190-D193 WeakPolarHBondContact CB-O 3.34Å; S190-E225 WeakPolarHBondContact CB-O 3.44Å; S190-E225 PolarHBondContact OG-O 2.93Å
191	M	95.6	Very high	94.6	Very high	55 Å²	55	41.8 Å²	41.8	27%	0.271	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	141.1	170.7	-168.7	66.8	80.5	0	0	110.4	V162 V164 D193 R226 V228	V162-M191 HydrophobicContact CB-CE 3.97Å; V162-M191 HydrophobicContact CB-SD 4.44Å; V162-M191 HydrophobicContact CG1-CE 4.21Å; V162-M191 HydrophobicContact CG2-CE 4.05Å; V164-M191 HydrophobicContact CG1-CE 4.35Å; V164-M191 HydrophobicContact CG1-SD 4.12Å; M191-D193 VanDerWaalsContact C-N 3.35Å; M191-D193 PolarHBondContact O-N 3.14Å; M191-R226 HydrophobicContact CB-CB 4.19Å; M191-R226 PolarHBondContact N-O 2.92Å; M191-R226 PolarHBondContact O-NE 3.09Å; M191-R226 PolarHBondContact O-NH2 2.94Å; M191-V228 HydrophobicContact CB-CG2 4.25Å; M191-V228 HydrophobicContact CE-CG2 3.65Å
192	G	92.4	Very high	94.4	Very high	49 Å²	49	44.7 Å²	44.7	51%	0.505	25%	0.246	S	C	.	.	S	Bend	trans	87.8	-47.1	168.6	0	0	0	0	0	115.5	F165	F165-G192 WeakPolarHBondContact CE2-O 3.33Å
193	D	93.8	Very high	94.2	Very high	97 Å²	97	46.6 Å²	46.6	52%	0.519	26%	0.256	S	S	.	.	S	Bend	trans	-154.3	167.5	178.5	-159.1	-1.8	0	0	0	112	S190 M191	S190-D193 WeakPolarHBondContact CB-O 3.34Å; M191-D193 VanDerWaalsContact C-N 3.35Å; M191-D193 PolarHBondContact O-N 3.14Å
194	Y	94.1	Very high	94.2	Very high	32 Å²	32	45.4 Å²	45.4	13%	0.125	25%	0.249	C	C	.	.			trans	-60.9	137.9	173.8	-71.5	-79.4	0	0	0	111.6	F165 R167 C205 P250 V254	F165-Y194 HydrophobicContact CB-CD1 3.7Å; F165-Y194 HydrophobicContact CB-CD2 4.33Å; F165-Y194 HydrophobicContact CB-CE1 3.95Å; F165-Y194 HydrophobicContact CB-CG 3.9Å; F165-Y194 HydrophobicContact CD1-CD1 4.38Å; F165-Y194 AromaticContact CD1-CD2 3.95Å; F165-Y194 HydrophobicContact CD1-CD2 3.95Å; F165-Y194 HydrophobicContact CD1-CE1 4Å; F165-Y194 AromaticContact CD1-CE2 3.54Å; F165-Y194 HydrophobicContact CD1-CE2 3.54Å; F165-Y194 HydrophobicContact CD1-CG 4.35Å; F165-Y194 AromaticContact CD1-CZ 3.59Å; F165-Y194 HydrophobicContact CE1-CE2 4.11Å; F165-Y194 HydrophobicContact CG-CD1 4.47Å; F165-Y194 HydrophobicContact CG-CD2 4.35Å; F165-Y194 HydrophobicContact CG-CE1 4.47Å; F165-Y194 HydrophobicContact CG-CE2 4.36Å; F165-Y194 HydrophobicContact CG-CG 4.41Å; R167-Y194 HydrophobicContact CG-CD1 3.94Å; R167-Y194 HydrophobicContact CG-CG 4.49Å; Y194-C205 HydrophobicContact CD1-CB 4.11Å; Y194-C205 HydrophobicContact CE1-CB 3.37Å; Y194-C205 WeakPolarHBondContact CE1-SG 3.27Å; Y194-P250 HydrophobicContact CD2-CB 3.81Å; Y194-P250 HydrophobicContact CD2-CG 3.82Å; Y194-P250 HydrophobicContact CE2-CB 3.96Å; Y194-P250 HydrophobicContact CE2-CG 3.41Å; Y194-P250 VanDerWaalsContact CE2-CG 3.41Å; Y194-P250 HydrophobicContact CG-CB 4.3Å; Y194-V254 WeakPolarHBondContact OH-CG1 3.27Å
195	P	92.6	Very high	94.3	Very high	25 Å²	25	45.2 Å²	45.2	16%	0.162	25%	0.248	C	C	.	.			trans	-69	174.8	177.7	31.6	-37.3	0	0	0	111.7	R167 E197 F200	R167-P195 HydrophobicContact CB-CG 4.26Å; R167-P195 WeakPolarHBondContact CD-O 3.36Å; R167-P195 HydrophobicContact CG-CG 4.37Å; R167-P195 PolarHBondContact NE-O 3.33Å; P195-E197 PolarHBondContact O-N 3.37Å; P195-F200 HydrophobicContact CB-CD2 3.62Å; P195-F200 HydrophobicContact CB-CE2 3.71Å; P195-F200 HydrophobicContact CG-CD2 3.76Å; P195-F200 HydrophobicContact CG-CE2 4.19Å; P195-F200 HydrophobicContact CG-CG 4.23Å
196	C	91.4	Very high	94.4	Very high	72 Å²	72	45.5 Å²	45.5	49%	0.486	25%	0.249	S	C	.	.			trans	-56.9	123.2	-175	-178.7	0	0	0	0	113.5	K198 T199 F200	C196-K198 VanDerWaalsContact C-N 3.34Å; C196-K198 PolarHBondContact O-N 2.85Å; C196-T199 PolarHBondContact O-N 2.81Å; C196-T199 VanDerWaalsContact O-N 3.16Å; C196-F200 WeakPolarHBondContact O-CD2 3.48Å; C196-F200 PolarHBondContact O-N 2.79Å
197	E	92.1	Very high	94.4	Very high	93 Å²	93	48.2 Å²	48.2	44%	0.435	26%	0.262	S	S	.	.	H	α-helix	trans	-58.1	-42.5	177.6	-179.1	-179.2	162.2	0	0	112.6	P195 T199 F200 G201 N202	P195-E197 PolarHBondContact O-N 3.37Å; E197-T199 PolarHBondContact O-N 3.38Å; E197-T199 VanDerWaalsContact O-N 3.11Å; E197-F200 PolarHBondContact O-N 2.75Å; E197-G201 VanDerWaalsContact O-CA 3.27Å; E197-G201 WeakPolarHBondContact O-CA 3.38Å; E197-G201 PolarHBondContact O-N 2.92Å; E197-N202 HydrophobicContact CG-CB 3.88Å; E197-N202 WeakPolarHBondContact OE1-CB 3.35Å; E197-N202 PolarHBondContact OE1-ND2 3.46Å
198	K	90.1	Very high	94.4	Very high	206 Å²	206	48 Å²	48	90%	0.896	26%	0.26	S	S	*	.	H	α-helix	trans	-59	-28.4	-179.8	-64	-178.6	-179.8	177.3	0	112.4	C196	C196-K198 VanDerWaalsContact C-N 3.34Å; C196-K198 PolarHBondContact O-N 2.85Å
199	T	87.5	Confident	94.4	Very high	94 Å²	94	48.1 Å²	48.1	58%	0.577	26%	0.261	S	S	*	.	H	α-helix	trans	-89.1	-44.5	-179.5	-54.4	0	0	0	0	112.1	C196 E197	C196-T199 PolarHBondContact O-N 2.81Å; C196-T199 VanDerWaalsContact O-N 3.16Å; E197-T199 PolarHBondContact O-N 3.38Å; E197-T199 VanDerWaalsContact O-N 3.11Å
200	F	89.9	Confident	94.4	Very high	66 Å²	66	47.8 Å²	47.8	29%	0.289	26%	0.259	S	S	.	.	H	α-helix	trans	-109.2	-13.3	-167.9	-63.2	-76.6	0	0	0	114.8	R167 T168 N169 P195 C196 E197	R167-F200 HydrophobicContact CB-CB 3.55Å; T168-F200 CarbonylContact C-O 3.26Å; T168-F200 VanDerWaalsContact C-O 3.26Å; T168-F200 WeakPolarHBondContact CA-O 3.43Å; N169-F200 PolarHBondContact N-O 2.91Å; P195-F200 HydrophobicContact CB-CD2 3.62Å; P195-F200 HydrophobicContact CB-CE2 3.71Å; P195-F200 HydrophobicContact CG-CD2 3.76Å; P195-F200 HydrophobicContact CG-CE2 4.19Å; P195-F200 HydrophobicContact CG-CG 4.23Å; C196-F200 WeakPolarHBondContact O-CD2 3.48Å; C196-F200 PolarHBondContact O-N 2.79Å; E197-F200 PolarHBondContact O-N 2.75Å
201	G	92.7	Very high	94.5	Very high	5 Å²	5	47.6 Å²	47.6	5%	0.052	26%	0.257	C	S	.	.			trans	92.4	177.5	179.8	0	0	0	0	0	115.7	R167 N169 E197	R167-G201 WeakPolarHBondContact CD-O 3.48Å; R167-G201 PolarHBondContact NH1-O 2.56Å; N169-G201 WeakPolarHBondContact OD1-CA 3.32Å; E197-G201 VanDerWaalsContact O-CA 3.27Å; E197-G201 WeakPolarHBondContact O-CA 3.38Å; E197-G201 PolarHBondContact O-N 2.92Å
202	N	93.6	Very high	94.5	Very high	60 Å²	60	46.6 Å²	46.6	32%	0.321	25%	0.251	S	S	.	.	S	Bend	trans	-126.1	9.1	178.8	61	3.4	0	0	0	113.5	E197 C251 E252	E197-N202 HydrophobicContact CG-CB 3.88Å; E197-N202 WeakPolarHBondContact OE1-CB 3.35Å; E197-N202 PolarHBondContact OE1-ND2 3.46Å; N202-C251 CarbonylContact O-C 3.5Å; N202-C251 WeakPolarHBondContact O-CA 3.37Å; N202-C251 WeakPolarHBondContact O-CB 3.41Å; N202-E252 PolarHBondContact O-N 3.23Å
203	Q	94.6	Very high	94.8	Very high	47 Å²	47	44.3 Å²	44.3	22%	0.22	23%	0.228	C	C	.	.	S	Bend	trans	-72.4	-38	-174.8	-173	60.9	80	0	0	113.4	T168 K171	T168-Q203 PolarHBondContact O-N 3.33Å; K171-Q203 HydrophobicContact CB-CG 4.42Å; K171-Q203 HydrophobicContact CD-CG 4.45Å; K171-Q203 VanDerWaalsContact CG-CD 3.44Å; K171-Q203 HydrophobicContact CG-CG 3.4Å; K171-Q203 VanDerWaalsContact CG-CG 3.4Å
204	S	96.1	Very high	95	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	133.7	175.4	-70.9	0	0	0	0	110.6	T168 C170 V253	T168-S204 PolarHBondContact N-O 3.35Å; T168-S204 PolarHBondContact O-N 3.18Å; C170-S204 VanDerWaalsContact O-CB 3.27Å; C170-S204 WeakPolarHBondContact O-CB 3.26Å; C170-S204 PolarHBondContact O-OG 3.09Å; C170-S204 VanDerWaalsContact O-OG 3.04Å; S204-V253 WeakPolarHBondContact CA-O 3.03Å
205	C	97.3	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	147.7	177.4	-84.1	0	0	0	0	109.1	R166 Y194 C251 V253 V254 Y255	R166-C205 CarbonylContact O-C 3.57Å; R166-C205 VanDerWaalsContact O-CA 3.32Å; R166-C205 WeakPolarHBondContact O-CA 3.48Å; Y194-C205 HydrophobicContact CD1-CB 4.11Å; Y194-C205 HydrophobicContact CE1-CB 3.37Å; Y194-C205 WeakPolarHBondContact CE1-SG 3.27Å; C205-C251 VanDerWaalsContact CA-SG 3.52Å; C205-C251 HydrophobicContact CB-CB 3.47Å; C205-C251 VanDerWaalsContact CB-CB 3.47Å; C205-C251 WeakPolarHBondContact CB-SG 3.42Å; C205-C251 PolarHBondContact N-SG 3.17Å; C205-C251 WeakPolarHBondContact SG-CB 3.34Å; C205-C251 CovalentContact SG-SG 2.03Å; C205-C251 PolarHBondContact SG-SG 3.05Å; C205-V253 PolarHBondContact N-O 2.98Å; C205-V254 HydrophobicContact CB-CB 4.43Å; C205-V254 HydrophobicContact CB-CG1 4.41Å; C205-V254 HydrophobicContact CB-CG2 3.95Å; C205-V254 CarbonylContact O-C 3.49Å; C205-V254 WeakPolarHBondContact O-CA 3.12Å; C205-Y255 PolarHBondContact O-N 3.1Å
206	F	98.3	Very high	95.3	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.022	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.9	171.6	-63.1	-97.5	0	0	0	109.4	L42 F165 R166 T168 F172 I208 Y255 L257	L42-F206 HydrophobicContact CD1-CE1 4.16Å; L42-F206 HydrophobicContact CD1-CZ 4.46Å; L42-F206 HydrophobicContact CD2-CE1 4.42Å; L42-F206 HydrophobicContact CD2-CZ 4.4Å; F165-F206 WeakPolarHBondContact CA-O 3.4Å; R166-F206 HydrophobicContact CB-CB 4.3Å; R166-F206 PolarHBondContact N-O 3.21Å; R166-F206 PolarHBondContact O-N 2.94Å; T168-F206 HydrophobicContact CG2-CE2 4.01Å; F172-F206 HydrophobicContact CD2-CE2 4.16Å; F172-F206 AromaticContact CD2-CZ 3.81Å; F172-F206 HydrophobicContact CD2-CZ 3.81Å; F172-F206 HydrophobicContact CE1-CZ 4.45Å; F172-F206 AromaticContact CE2-CE2 3.71Å; F172-F206 HydrophobicContact CE2-CE2 3.71Å; F172-F206 AromaticContact CE2-CZ 3.69Å; F172-F206 HydrophobicContact CE2-CZ 3.69Å; F172-F206 HydrophobicContact CG-CZ 4.27Å; F172-F206 HydrophobicContact CZ-CE2 4.18Å; F172-F206 HydrophobicContact CZ-CZ 4.02Å; F206-I208 HydrophobicContact CB-CD1 3.78Å; F206-I208 HydrophobicContact CB-CG1 3.65Å; F206-Y255 VanDerWaalsContact CA-O 3.32Å; F206-Y255 WeakPolarHBondContact CA-O 3.23Å; F206-Y255 HydrophobicContact CD1-CD2 4.36Å; F206-Y255 HydrophobicContact CD1-CG 4.24Å; F206-Y255 AromaticContact CE1-CD2 3.94Å; F206-Y255 HydrophobicContact CE1-CD2 3.94Å; F206-Y255 AromaticContact CE1-CG 3.9Å; F206-Y255 HydrophobicContact CE1-CG 3.9Å; F206-Y255 HydrophobicContact CZ-CD2 4.03Å; F206-Y255 HydrophobicContact CZ-CG 4.43Å; F206-L257 HydrophobicContact CD1-CD1 3.74Å; F206-L257 HydrophobicContact CD1-CG 4.11Å; F206-L257 HydrophobicContact CE1-CD1 4.33Å
207	E	98.4	Very high	95.5	Very high	58 Å²	58	38.1 Å²	38.1	27%	0.271	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	113.1	163.5	178.7	-173.4	138.2	0	0	106.3	T163 F165 Y255 K256 L257	T163-E207 HydrophobicContact CG2-CG 4.07Å; F165-E207 HydrophobicContact CD1-CB 4.35Å; F165-E207 HydrophobicContact CD1-CG 4.36Å; F165-E207 HydrophobicContact CE1-CB 4.29Å; F165-E207 HydrophobicContact CE1-CG 3.85Å; E207-Y255 PolarHBondContact N-O 2.91Å; E207-K256 HydrophobicContact CB-CG 4.39Å; E207-K256 WeakPolarHBondContact O-CA 3.37Å; E207-K256 IonicContact OE1-NZ 3.14Å; E207-K256 PolarHBondContact OE1-NZ 3.17Å; E207-K256 VanDerWaalsContact OE1-NZ 3.09Å; E207-K256 WeakPolarHBondContact OE2-CE 3.27Å; E207-K256 IonicContact OE2-NZ 3.38Å; E207-K256 PolarHBondContact OE2-NZ 2.86Å; E207-L257 PolarHBondContact O-N 3.19Å
208	I	98.8	Very high	95.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	118.6	-166.9	-48.6	178.4	0	0	0	108.8	T163 V164 R166 L183 F206 I230 F236 L257	T163-I208 CarbonylContact C-O 3.58Å; T163-I208 VanDerWaalsContact CA-O 3.32Å; T163-I208 WeakPolarHBondContact CA-O 3.1Å; V164-I208 HydrophobicContact CG2-CB 3.88Å; V164-I208 HydrophobicContact CG2-CG2 4.47Å; V164-I208 WeakPolarHBondContact CG2-O 3.36Å; V164-I208 PolarHBondContact N-O 3.16Å; V164-I208 PolarHBondContact O-N 3.31Å; R166-I208 HydrophobicContact CB-CD1 4.46Å; L183-I208 HydrophobicContact CD1-CD1 4.3Å; F206-I208 HydrophobicContact CB-CD1 3.78Å; F206-I208 HydrophobicContact CB-CG1 3.65Å; I208-I230 HydrophobicContact CD1-CD1 3.98Å; I208-I230 HydrophobicContact CG2-CD1 4Å; I208-F236 HydrophobicContact CG2-CD1 3.92Å; I208-F236 HydrophobicContact CG2-CE1 3.38Å; I208-F236 HydrophobicContact CG2-CZ 3.92Å; I208-L257 WeakPolarHBondContact CA-O 3.31Å; I208-L257 HydrophobicContact CB-CB 4.44Å; I208-L257 HydrophobicContact CD1-CD1 4.33Å; I208-L257 HydrophobicContact CG1-CB 4.34Å; I208-L257 HydrophobicContact CG1-CD1 4.14Å; I208-L257 HydrophobicContact CG1-CG 4.46Å; I208-L257 HydrophobicContact CG2-CB 4.13Å
209	S	98.3	Very high	96	Very high	32 Å²	32	30.5 Å²	30.5	22%	0.224	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	105.1	162.4	-178.3	0	0	0	0	108.3	V162 L257 S259	V162-S209 CarbonylContact O-C 3.39Å; V162-S209 WeakPolarHBondContact O-CA 3.18Å; S209-L257 PolarHBondContact N-O 3.22Å; S209-S259 WeakPolarHBondContact O-CB 3.27Å; S209-S259 PolarHBondContact O-N 3.32Å
210	T	98.3	Very high	96.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.8	-176.1	173.5	0	0	0	0	111.7	C161 V162 V164 G213 V228 I230 E234	C161-T210 CarbonylContact C-O 3.43Å; C161-T210 WeakPolarHBondContact CA-O 3.37Å; V162-T210 HydrophobicContact CG2-CG2 3.83Å; V162-T210 PolarHBondContact N-O 2.91Å; V162-T210 PolarHBondContact O-N 2.63Å; V164-T210 HydrophobicContact CG1-CG2 4.31Å; V164-T210 HydrophobicContact CG2-CG2 3.73Å; T210-G213 VanDerWaalsContact OG1-CA 3.31Å; T210-G213 WeakPolarHBondContact OG1-CA 3.36Å; T210-G213 PolarHBondContact OG1-N 3.06Å; T210-V228 HydrophobicContact CG2-CG1 4.26Å; T210-I230 HydrophobicContact CG2-CD1 4.12Å; T210-I230 HydrophobicContact CG2-CG1 4.07Å; T210-E234 WeakPolarHBondContact CA-OE1 3.32Å; T210-E234 PolarHBondContact OG1-OE1 2.87Å; T210-E234 PolarHBondContact OG1-OE2 2.79Å
211	C	97.7	Very high	96.6	Very high	3 Å²	3	25 Å²	25	2%	0.02	13%	0.133	C	C	.	.	S	Bend	trans	-96.6	-25.6	179.1	-58.6	0	0	0	0	111.7	K155 A158 C161 E234 S259	K155-C211 VanDerWaalsContact CD-O 3.27Å; K155-C211 WeakPolarHBondContact CD-O 3.38Å; K155-C211 WeakPolarHBondContact CE-O 3.32Å; K155-C211 PolarHBondContact NZ-O 3.08Å; A158-C211 HydrophobicContact CB-CB 4.13Å; A158-C211 WeakPolarHBondContact O-CB 3.32Å; C161-C211 HydrophobicContact CB-CB 4.06Å; C161-C211 WeakPolarHBondContact CB-SG 3.27Å; C161-C211 WeakPolarHBondContact SG-CB 3.49Å; C161-C211 CovalentContact SG-SG 2.03Å; C161-C211 PolarHBondContact SG-SG 2.92Å; C211-E234 PolarHBondContact N-OE1 2.87Å; C211-S259 WeakPolarHBondContact SG-CB 3.38Å; C211-S259 PolarHBondContact SG-OG 2.76Å; C211-S259 VanDerWaalsContact SG-OG 3.37Å
212	F	97.4	Very high	96.5	Very high	33 Å²	33	26.4 Å²	26.4	15%	0.145	14%	0.139	C	C	.	.	S	Bend	trans	-105.6	-9.2	179.7	-61.8	-90.6	0	0	0	113.6	A158 P231 Y233 E234 P263	A158-F212 HydrophobicContact CB-CD1 4.11Å; A158-F212 HydrophobicContact CB-CD2 4.39Å; A158-F212 HydrophobicContact CB-CE1 3.58Å; A158-F212 HydrophobicContact CB-CE2 3.89Å; A158-F212 HydrophobicContact CB-CG 4.49Å; A158-F212 HydrophobicContact CB-CZ 3.44Å; A158-F212 VanDerWaalsContact CB-CZ 3.44Å; F212-P231 HydrophobicContact CB-CG 3.62Å; F212-P231 WeakPolarHBondContact O-CD 3.47Å; F212-Y233 HydrophobicContact CB-CE2 4.23Å; F212-Y233 AromaticContact CD1-CE2 3.93Å; F212-Y233 HydrophobicContact CD1-CE2 3.93Å; F212-Y233 HydrophobicContact CG-CE2 4.14Å; F212-E234 HydrophobicContact CB-CB 4.39Å; F212-E234 HydrophobicContact CB-CG 4.48Å; F212-E234 HydrophobicContact CD2-CB 4.17Å; F212-E234 HydrophobicContact CD2-CG 3.71Å; F212-E234 PolarHBondContact N-OE1 2.84Å; F212-P263 HydrophobicContact CE1-CB 4.41Å; F212-P263 HydrophobicContact CE1-CG 4.35Å; F212-P263 HydrophobicContact CZ-CB 4.2Å; F212-P263 HydrophobicContact CZ-CG 4.09Å
213	G	97.8	Very high	96.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	15%	0.149	C	C	.	.			trans	-69.9	130.3	175	0	0	0	0	0	111.7	K155 T210 L229	K155-G213 WeakPolarHBondContact CD-O 3.39Å; K155-G213 PolarHBondContact NZ-O 2.68Å; T210-G213 VanDerWaalsContact OG1-CA 3.31Å; T210-G213 WeakPolarHBondContact OG1-CA 3.36Å; T210-G213 PolarHBondContact OG1-N 3.06Å; G213-L229 VanDerWaalsContact CA-O 3.29Å; G213-L229 WeakPolarHBondContact CA-O 3.45Å
214	A	97.3	Very high	96.2	Very high	2 Å²	2	32 Å²	32	2%	0.017	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.1	-178.8	0	0	0	0	0	111.2	L151 I154 K155 I216 V228 L229	L151-A214 HydrophobicContact CB-CB 4.36Å; L151-A214 HydrophobicContact CD2-CB 3.61Å; I154-A214 HydrophobicContact CB-CB 3.84Å; I154-A214 HydrophobicContact CD1-CB 4.33Å; I154-A214 HydrophobicContact CG2-CB 3.75Å; K155-A214 HydrophobicContact CB-CB 4.07Å; A214-I216 PolarHBondContact O-N 2.75Å; A214-V228 CarbonylContact O-C 3.54Å; A214-V228 VanDerWaalsContact O-CA 3.3Å; A214-V228 WeakPolarHBondContact O-CA 3.47Å; A214-L229 PolarHBondContact N-O 3.4Å; A214-L229 VanDerWaalsContact N-O 3.1Å; A214-L229 PolarHBondContact O-N 3.35Å
215	N	96.8	Very high	96	Very high	80 Å²	80	34.6 Å²	34.6	43%	0.428	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.6	173.5	-177	-5.7	0	0	0	109.3	S217 E227 V228	N215-S217 VanDerWaalsContact OD1-CB 3.26Å; N215-S217 WeakPolarHBondContact OD1-CB 3.44Å; N215-S217 PolarHBondContact OD1-N 3.23Å; N215-S217 PolarHBondContact OD1-OG 3.03Å; N215-E227 PolarHBondContact OD1-O 3.07Å; N215-V228 HydrophobicContact CB-CG2 4.31Å
216	I	97.4	Very high	95.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.			trans	-113.8	10	-177.9	65.6	158.6	0	0	0	112.3	L109 T113 L151 I154 A214 E218 F219 S220 E227 L229	L109-I216 HydrophobicContact CD1-CB 4.38Å; L109-I216 HydrophobicContact CD1-CG2 4.19Å; L109-I216 HydrophobicContact CD2-CB 4.06Å; L109-I216 HydrophobicContact CD2-CD1 4.14Å; L109-I216 HydrophobicContact CD2-CG2 3.59Å; T113-I216 HydrophobicContact CG2-CD1 3.82Å; L151-I216 HydrophobicContact CD2-CG2 3.94Å; I154-I216 HydrophobicContact CD1-CG2 4.06Å; A214-I216 PolarHBondContact O-N 2.75Å; I216-E218 PolarHBondContact O-N 3.11Å; I216-E218 VanDerWaalsContact O-N 3.14Å; I216-F219 CarbonylContact O-C 3.54Å; I216-F219 PolarHBondContact O-N 2.87Å; I216-S220 PolarHBondContact O-N 2.91Å; I216-S220 VanDerWaalsContact O-N 3.1Å; I216-E227 HydrophobicContact CD1-CG 4.08Å; I216-E227 HydrophobicContact CG1-CB 4.05Å; I216-E227 HydrophobicContact CG1-CG 3.98Å; I216-E227 WeakPolarHBondContact CG1-O 3.44Å; I216-E227 PolarHBondContact N-O 3.05Å; I216-L229 HydrophobicContact CD1-CB 3.73Å; I216-L229 HydrophobicContact CD1-CD2 4.03Å; I216-L229 HydrophobicContact CD1-CG 4.43Å; I216-L229 HydrophobicContact CG1-CB 4.05Å; I216-L229 HydrophobicContact CG2-CB 4.18Å
217	S	96	Very high	95.8	Very high	15 Å²	15	40.4 Å²	40.4	11%	0.105	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-53	-39.5	-172.3	-53.7	0	0	0	0	113.1	N215 F219 S220 K223 R226 E227	N215-S217 VanDerWaalsContact OD1-CB 3.26Å; N215-S217 WeakPolarHBondContact OD1-CB 3.44Å; N215-S217 PolarHBondContact OD1-N 3.23Å; N215-S217 PolarHBondContact OD1-OG 3.03Å; S217-F219 VanDerWaalsContact C-N 3.26Å; S217-F219 PolarHBondContact O-N 3.46Å; S217-S220 PolarHBondContact O-N 3.05Å; S217-K223 WeakPolarHBondContact O-CG 3.33Å; S217-R226 WeakPolarHBondContact OG-CA 3.21Å; S217-E227 PolarHBondContact N-O 3.34Å; S217-E227 PolarHBondContact OG-N 3.08Å
218	E	95.5	Very high	95.8	Very high	126 Å²	126	37.7 Å²	37.7	59%	0.589	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-66.5	-29.2	-178.9	-62.1	-168.8	140.7	0	0	113.2	Y89 W94 I216 K223	Y89-E218 PolarHBondContact OH-O 2.74Å; W94-E218 HydrophobicContact CH2-CB 4.4Å; W94-E218 HydrophobicContact CZ2-CB 4.38Å; I216-E218 PolarHBondContact O-N 3.11Å; I216-E218 VanDerWaalsContact O-N 3.14Å; E218-K223 WeakPolarHBondContact O-CE 3.19Å
219	F	96.3	Very high	95.8	Very high	13 Å²	13	37.7 Å²	37.7	6%	0.057	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-97.8	-3.2	-178.6	-48.7	-74	0	0	0	112.8	W94 L101 I106 L109 Y110 I154 I216 S217	W94-F219 HydrophobicContact CD2-CD1 4.41Å; W94-F219 HydrophobicContact CD2-CE1 4.29Å; W94-F219 AromaticContact CE2-CD1 3.77Å; W94-F219 AromaticContact CE2-CE1 3.95Å; W94-F219 HydrophobicContact CE3-CE1 4.17Å; W94-F219 AromaticContact CH2-CD1 3.91Å; W94-F219 HydrophobicContact CH2-CD1 3.91Å; W94-F219 AromaticContact CH2-CE1 3.39Å; W94-F219 HydrophobicContact CH2-CE1 3.39Å; W94-F219 HydrophobicContact CH2-CZ 4.08Å; W94-F219 AromaticContact CZ2-CD1 3.5Å; W94-F219 HydrophobicContact CZ2-CD1 3.5Å; W94-F219 VanDerWaalsContact CZ2-CD1 3.5Å; W94-F219 AromaticContact CZ2-CE1 3.5Å; W94-F219 HydrophobicContact CZ2-CE1 3.5Å; W94-F219 HydrophobicContact CZ2-CG 4.46Å; W94-F219 HydrophobicContact CZ2-CZ 4.47Å; W94-F219 AromaticContact CZ3-CE1 3.74Å; W94-F219 HydrophobicContact CZ3-CE1 3.74Å; W94-F219 HydrophobicContact CZ3-CZ 4.48Å; L101-F219 HydrophobicContact CD1-CD1 4.06Å; L101-F219 HydrophobicContact CD1-CD2 3.94Å; L101-F219 HydrophobicContact CD1-CE1 3.69Å; L101-F219 HydrophobicContact CD1-CE2 3.56Å; L101-F219 HydrophobicContact CD1-CG 4.18Å; L101-F219 HydrophobicContact CD1-CZ 3.44Å; L101-F219 VanDerWaalsContact CD1-CZ 3.44Å; L101-F219 HydrophobicContact CG-CZ 4.25Å; I106-F219 HydrophobicContact CD1-CE1 4.49Å; I106-F219 HydrophobicContact CG1-CD1 4.05Å; I106-F219 HydrophobicContact CG1-CE1 4.09Å; I106-F219 HydrophobicContact CG2-CD1 4.07Å; L109-F219 HydrophobicContact CB-CB 3.81Å; L109-F219 HydrophobicContact CD1-CB 3.68Å; L109-F219 HydrophobicContact CD1-CD2 3.58Å; L109-F219 HydrophobicContact CD1-CE2 4.41Å; L109-F219 HydrophobicContact CD1-CG 3.69Å; L109-F219 HydrophobicContact CG-CB 4.41Å; Y110-F219 WeakPolarHBondContact CA-O 3.41Å; I154-F219 HydrophobicContact CD1-CE2 4.3Å; I216-F219 CarbonylContact O-C 3.54Å; I216-F219 PolarHBondContact O-N 2.87Å; S217-F219 VanDerWaalsContact C-N 3.26Å; S217-F219 PolarHBondContact O-N 3.46Å
220	S	95.3	Very high	95.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.014	18%	0.183	C	C	.	.	S	Bend	trans	-78.3	148.8	-179.1	-179.8	0	0	0	0	111.6	T113 I216 S217 I222	T113-S220 WeakPolarHBondContact CB-OG 3.1Å; T113-S220 WeakPolarHBondContact OG1-CA 3.49Å; I216-S220 PolarHBondContact O-N 2.91Å; I216-S220 VanDerWaalsContact O-N 3.1Å; S217-S220 PolarHBondContact O-N 3.05Å; S220-I222 PolarHBondContact O-N 2.85Å; S220-I222 PolarHBondContact OG-N 2.88Å; S220-I222 VanDerWaalsContact OG-N 3.08Å
221	S	94.3	Very high	95.9	Very high	41 Å²	41	36.2 Å²	36.2	29%	0.287	18%	0.184	S	C	.	.	S	Bend	trans	-69.1	-15.1	169	86.1	0	0	0	0	112.8	T113	T113-S221 PolarHBondContact O-OG 3.16Å; T113-S221 PolarHBondContact OG1-N 2.86Å
222	I	92.3	Very high	95.9	Very high	35 Å²	35	36.1 Å²	36.1	18%	0.179	18%	0.183	C	C	.	.			trans	-131.8	75.6	-179.9	-41.2	174.2	0	0	0	109.4	N115 S220 S224 E225	N115-I222 WeakPolarHBondContact ND2-CD1 3.4Å; S220-I222 PolarHBondContact O-N 2.85Å; S220-I222 PolarHBondContact OG-N 2.88Å; S220-I222 VanDerWaalsContact OG-N 3.08Å; I222-S224 PolarHBondContact O-N 3.28Å; I222-S224 VanDerWaalsContact O-N 3.07Å; I222-E225 HydrophobicContact CB-CG 4.09Å; I222-E225 HydrophobicContact CG2-CG 3.73Å; I222-E225 PolarHBondContact O-N 3.16Å
223	K	91.3	Very high	95.9	Very high	123 Å²	123	34.7 Å²	34.7	54%	0.535	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-55.2	-31.3	-175.6	-57.4	-165.1	174.5	-172.8	0	113.9	S217 E218 E225 R226	S217-K223 WeakPolarHBondContact O-CG 3.33Å; E218-K223 WeakPolarHBondContact O-CE 3.19Å; K223-E225 PolarHBondContact O-N 3.27Å; K223-R226 PolarHBondContact O-N 3.09Å; K223-R226 VanDerWaalsContact O-N 3.16Å
224	S	90	Very high	95.9	Very high	103 Å²	103	34.7 Å²	34.7	72%	0.72	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-65.7	-16.6	179.7	54.5	0	0	0	0	114.1	I222 R226	I222-S224 PolarHBondContact O-N 3.28Å; I222-S224 VanDerWaalsContact O-N 3.07Å; S224-R226 PolarHBondContact O-N 2.94Å
225	E	91.5	Very high	96	Very high	55 Å²	55	34.9 Å²	34.9	26%	0.257	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-72.9	-10.3	174.8	-69.5	-171.9	165.2	0	0	113	S190 I222 K223 E227	S190-E225 WeakPolarHBondContact CB-O 3.44Å; S190-E225 PolarHBondContact OG-O 2.93Å; I222-E225 HydrophobicContact CB-CG 4.09Å; I222-E225 HydrophobicContact CG2-CG 3.73Å; I222-E225 PolarHBondContact O-N 3.16Å; K223-E225 PolarHBondContact O-N 3.27Å; E225-E227 PolarHBondContact O-N 2.71Å
226	R	94.8	Very high	96.1	Very high	121 Å²	121	31.1 Å²	31.1	46%	0.457	16%	0.157	S	C	.	.			trans	47.7	46	-178.3	-59.9	-174.1	-61.7	-171.1	-1.8	111.8	M191 S217 K223 S224 V228	M191-R226 HydrophobicContact CB-CB 4.19Å; M191-R226 PolarHBondContact N-O 2.92Å; M191-R226 PolarHBondContact O-NE 3.09Å; M191-R226 PolarHBondContact O-NH2 2.94Å; S217-R226 WeakPolarHBondContact OG-CA 3.21Å; K223-R226 PolarHBondContact O-N 3.09Å; K223-R226 VanDerWaalsContact O-N 3.16Å; S224-R226 PolarHBondContact O-N 2.94Å; R226-V228 PolarHBondContact O-N 2.79Å
227	E	97.4	Very high	96.1	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.028	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	125.9	-164.5	-171.7	175.5	176.4	0	0	112.3	T113 S188 S189 N215 I216 S217 E225	T113-E227 WeakPolarHBondContact CG2-OE2 3.27Å; S188-E227 WeakPolarHBondContact CB-OE1 3.38Å; S188-E227 PolarHBondContact OG-OE1 2.88Å; S189-E227 CarbonylContact O-C 3.58Å; S189-E227 VanDerWaalsContact O-CA 3.3Å; S189-E227 WeakPolarHBondContact O-CA 3.46Å; N215-E227 PolarHBondContact OD1-O 3.07Å; I216-E227 HydrophobicContact CD1-CG 4.08Å; I216-E227 HydrophobicContact CG1-CB 4.05Å; I216-E227 HydrophobicContact CG1-CG 3.98Å; I216-E227 WeakPolarHBondContact CG1-O 3.44Å; I216-E227 PolarHBondContact N-O 3.05Å; S217-E227 PolarHBondContact N-O 3.34Å; S217-E227 PolarHBondContact OG-N 3.08Å; E225-E227 PolarHBondContact O-N 2.71Å
228	V	98.3	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.9	163	176.4	0	0	0	0	108.1	V164 S189 M191 T210 A214 N215 R226	V164-V228 HydrophobicContact CB-CB 4.49Å; V164-V228 HydrophobicContact CG1-CB 3.74Å; V164-V228 HydrophobicContact CG1-CG1 3.93Å; V164-V228 HydrophobicContact CG1-CG2 3.69Å; S189-V228 PolarHBondContact N-O 2.93Å; S189-V228 PolarHBondContact O-N 2.75Å; S189-V228 PolarHBondContact OG-O 2.9Å; M191-V228 HydrophobicContact CB-CG2 4.25Å; M191-V228 HydrophobicContact CE-CG2 3.65Å; T210-V228 HydrophobicContact CG2-CG1 4.26Å; A214-V228 CarbonylContact O-C 3.54Å; A214-V228 VanDerWaalsContact O-CA 3.3Å; A214-V228 WeakPolarHBondContact O-CA 3.47Å; N215-V228 HydrophobicContact CB-CG2 4.31Å; R226-V228 PolarHBondContact O-N 2.79Å
229	L	98.6	Very high	96.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122	-179.1	-175	61.7	0	0	0	110.3	L109 Y112 L147 L151 F186 G213 A214 I216	L109-L229 HydrophobicContact CD2-CD2 4.5Å; Y112-L229 HydrophobicContact CD1-CD1 4.27Å; Y112-L229 HydrophobicContact CD1-CD2 4.03Å; Y112-L229 HydrophobicContact CE1-CD1 3.42Å; Y112-L229 VanDerWaalsContact CE1-CD1 3.42Å; Y112-L229 HydrophobicContact CE1-CD2 4Å; Y112-L229 HydrophobicContact CE1-CG 4.35Å; L147-L229 HydrophobicContact CD2-CD2 4.08Å; L151-L229 HydrophobicContact CD1-CD2 4.47Å; L151-L229 HydrophobicContact CD1-CG 4.28Å; L151-L229 HydrophobicContact CD2-CB 3.97Å; L151-L229 HydrophobicContact CD2-CD2 4.29Å; L151-L229 HydrophobicContact CD2-CG 4.3Å; F186-L229 HydrophobicContact CB-CD1 4.05Å; F186-L229 HydrophobicContact CD1-CD2 4.02Å; F186-L229 HydrophobicContact CD1-CG 4.16Å; G213-L229 VanDerWaalsContact CA-O 3.29Å; G213-L229 WeakPolarHBondContact CA-O 3.45Å; A214-L229 PolarHBondContact N-O 3.4Å; A214-L229 VanDerWaalsContact N-O 3.1Å; A214-L229 PolarHBondContact O-N 3.35Å; I216-L229 HydrophobicContact CD1-CB 3.73Å; I216-L229 HydrophobicContact CD1-CD2 4.03Å; I216-L229 HydrophobicContact CD1-CG 4.43Å; I216-L229 HydrophobicContact CG1-CB 4.05Å; I216-L229 HydrophobicContact CG2-CB 4.18Å
230	I	98.8	Very high	96.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.7	-177.7	-60.8	170.1	0	0	0	109.6	V164 L183 F186 S187 I208 T210 E234 F236	V164-I230 HydrophobicContact CG2-CD1 4.1Å; L183-I230 HydrophobicContact CD1-CD1 4.24Å; L183-I230 HydrophobicContact CD1-CG2 4.15Å; F186-I230 WeakPolarHBondContact CA-O 3.36Å; S187-I230 PolarHBondContact N-O 2.89Å; S187-I230 WeakPolarHBondContact O-CB 3.36Å; S187-I230 PolarHBondContact O-N 3.41Å; I208-I230 HydrophobicContact CD1-CD1 3.98Å; I208-I230 HydrophobicContact CG2-CD1 4Å; T210-I230 HydrophobicContact CG2-CD1 4.12Å; T210-I230 HydrophobicContact CG2-CG1 4.07Å; I230-E234 HydrophobicContact CG2-CB 4.4Å; I230-E234 WeakPolarHBondContact CG2-OE2 3.17Å; I230-F236 HydrophobicContact CG2-CE2 4.13Å; I230-F236 HydrophobicContact CG2-CZ 3.76Å
231	P	98.4	Very high	96.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-73.3	157.7	178.8	28.6	-31.9	0	0	0	113	L151 F212 Y233	L151-P231 HydrophobicContact CD1-CB 3.95Å; L151-P231 HydrophobicContact CD1-CG 4.32Å; F212-P231 HydrophobicContact CB-CG 3.62Å; F212-P231 WeakPolarHBondContact O-CD 3.47Å; P231-Y233 VanDerWaalsContact C-N 3.26Å; P231-Y233 HydrophobicContact CB-CD1 3.86Å; P231-Y233 HydrophobicContact CB-CD2 4.27Å; P231-Y233 HydrophobicContact CB-CE1 3.38Å; P231-Y233 HydrophobicContact CB-CE2 3.83Å; P231-Y233 HydrophobicContact CB-CG 4.29Å; P231-Y233 HydrophobicContact CG-CD2 4.1Å; P231-Y233 HydrophobicContact CG-CE1 4.01Å; P231-Y233 HydrophobicContact CG-CE2 3.49Å; P231-Y233 VanDerWaalsContact CG-CE2 3.49Å; P231-Y233 VanDerWaalsContact CG-CZ 3.44Å; P231-Y233 PolarHBondContact O-N 2.83Å
232	P	98.3	Very high	96.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.4	-176.2	27.3	-35.5	0	0	0	114.9	V127 F186	V127-P232 HydrophobicContact CG1-CB 4.36Å; F186-P232 HydrophobicContact CD2-CG 4.33Å; F186-P232 HydrophobicContact CE2-CG 4.04Å; F186-P232 HydrophobicContact CZ-CG 4.44Å
233	Y	97.9	Very high	96.3	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.016	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-8	-175	52.7	-107	0	0	0	114.1	M52 T148 F212 P231 V235 P263 L264	M52-Y233 HydrophobicContact CE-CD2 4.33Å; M52-Y233 HydrophobicContact CE-CE2 4.3Å; M52-Y233 HydrophobicContact CG-CD1 3.39Å; M52-Y233 HydrophobicContact CG-CD2 4.16Å; M52-Y233 HydrophobicContact CG-CE1 3.75Å; M52-Y233 HydrophobicContact CG-CE2 4.47Å; M52-Y233 HydrophobicContact CG-CG 3.61Å; M52-Y233 HydrophobicContact SD-CD1 4.36Å; M52-Y233 HydrophobicContact SD-CD2 4.12Å; M52-Y233 HydrophobicContact SD-CG 3.98Å; T148-Y233 HydrophobicContact CG2-CE1 4Å; F212-Y233 HydrophobicContact CB-CE2 4.23Å; F212-Y233 AromaticContact CD1-CE2 3.93Å; F212-Y233 HydrophobicContact CD1-CE2 3.93Å; F212-Y233 HydrophobicContact CG-CE2 4.14Å; P231-Y233 VanDerWaalsContact C-N 3.26Å; P231-Y233 HydrophobicContact CB-CD1 3.86Å; P231-Y233 HydrophobicContact CB-CD2 4.27Å; P231-Y233 HydrophobicContact CB-CE1 3.38Å; P231-Y233 HydrophobicContact CB-CE2 3.83Å; P231-Y233 HydrophobicContact CB-CG 4.29Å; P231-Y233 HydrophobicContact CG-CD2 4.1Å; P231-Y233 HydrophobicContact CG-CE1 4.01Å; P231-Y233 HydrophobicContact CG-CE2 3.49Å; P231-Y233 VanDerWaalsContact CG-CE2 3.49Å; P231-Y233 VanDerWaalsContact CG-CZ 3.44Å; P231-Y233 PolarHBondContact O-N 2.83Å; Y233-V235 PolarHBondContact O-N 2.88Å; Y233-P263 HydrophobicContact CD2-CB 3.68Å; Y233-P263 HydrophobicContact CE2-CB 4.3Å; Y233-P263 WeakPolarHBondContact O-CA 3.39Å; Y233-L264 WeakPolarHBondContact CA-O 3.34Å; Y233-L264 VanDerWaalsContact CB-O 3.3Å; Y233-L264 WeakPolarHBondContact CB-O 3.41Å; Y233-L264 PolarHBondContact O-N 2.83Å
234	E	98.2	Very high	95.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	130.6	179.8	-174.5	167	-160.2	0	0	111.6	R182 T210 C211 F212 I230 F236 S259	R182-E234 WeakPolarHBondContact CG-O 3.07Å; T210-E234 WeakPolarHBondContact CA-OE1 3.32Å; T210-E234 PolarHBondContact OG1-OE1 2.87Å; T210-E234 PolarHBondContact OG1-OE2 2.79Å; C211-E234 PolarHBondContact N-OE1 2.87Å; F212-E234 HydrophobicContact CB-CB 4.39Å; F212-E234 HydrophobicContact CB-CG 4.48Å; F212-E234 HydrophobicContact CD2-CB 4.17Å; F212-E234 HydrophobicContact CD2-CG 3.71Å; F212-E234 PolarHBondContact N-OE1 2.84Å; I230-E234 HydrophobicContact CG2-CB 4.4Å; I230-E234 WeakPolarHBondContact CG2-OE2 3.17Å; E234-F236 HydrophobicContact CB-CE2 3.81Å; E234-F236 HydrophobicContact CB-CZ 3.92Å; E234-F236 HydrophobicContact CG-CD2 4.32Å; E234-F236 HydrophobicContact CG-CE1 3.91Å; E234-F236 HydrophobicContact CG-CE2 3.64Å; E234-F236 HydrophobicContact CG-CZ 3.41Å; E234-F236 VanDerWaalsContact CG-CZ 3.41Å; E234-F236 VanDerWaalsContact OE2-CZ 3.25Å; E234-F236 WeakPolarHBondContact OE2-CZ 3.34Å; E234-S259 WeakPolarHBondContact OE1-CB 3.49Å; E234-S259 PolarHBondContact OE1-OG 3.11Å
235	V	98.5	Very high	94.3	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.036	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.5	178.2	-178.9	0	0	0	0	110	M44 E180 R182 Y233 T260 R262 L264	M44-V235 HydrophobicContact CE-CG1 3.95Å; M44-V235 HydrophobicContact CE-CG2 4.02Å; M44-V235 HydrophobicContact SD-CG1 4.36Å; E180-V235 HydrophobicContact CB-CG1 3.95Å; E180-V235 HydrophobicContact CG-CG1 4.2Å; R182-V235 HydrophobicContact CG-CB 4.5Å; R182-V235 HydrophobicContact CG-CG2 3.91Å; Y233-V235 PolarHBondContact O-N 2.88Å; V235-T260 WeakPolarHBondContact CB-OG1 3.49Å; V235-T260 HydrophobicContact CG1-CG2 4.01Å; V235-T260 PolarHBondContact O-N 3.29Å; V235-T260 PolarHBondContact O-OG1 3.08Å; V235-R262 WeakPolarHBondContact CB-O 3.39Å; V235-L264 HydrophobicContact CG2-CB 3.63Å
236	F	98.7	Very high	92.5	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138	-179.6	-59.3	-87.7	0	0	0	111.1	E180 I181 L183 I208 I230 E234 L257 R258	E180-F236 CarbonylContact C-O 3.54Å; E180-F236 VanDerWaalsContact CA-O 3.26Å; E180-F236 WeakPolarHBondContact CA-O 3.39Å; I181-F236 HydrophobicContact CG1-CB 4.24Å; I181-F236 PolarHBondContact N-O 2.03Å; I181-F236 PolarHBondContact O-N 2.92Å; L183-F236 HydrophobicContact CD1-CE2 4.09Å; L183-F236 HydrophobicContact CG-CD2 4.43Å; L183-F236 HydrophobicContact CG-CE2 4.11Å; I208-F236 HydrophobicContact CG2-CD1 3.92Å; I208-F236 HydrophobicContact CG2-CE1 3.38Å; I208-F236 HydrophobicContact CG2-CZ 3.92Å; I230-F236 HydrophobicContact CG2-CE2 4.13Å; I230-F236 HydrophobicContact CG2-CZ 3.76Å; E234-F236 HydrophobicContact CB-CE2 3.81Å; E234-F236 HydrophobicContact CB-CZ 3.92Å; E234-F236 HydrophobicContact CG-CD2 4.32Å; E234-F236 HydrophobicContact CG-CE1 3.91Å; E234-F236 HydrophobicContact CG-CE2 3.64Å; E234-F236 HydrophobicContact CG-CZ 3.41Å; E234-F236 VanDerWaalsContact CG-CZ 3.41Å; E234-F236 VanDerWaalsContact OE2-CZ 3.25Å; E234-F236 WeakPolarHBondContact OE2-CZ 3.34Å; F236-L257 HydrophobicContact CB-CB 4.05Å; F236-L257 HydrophobicContact CB-CD1 4.44Å; F236-L257 HydrophobicContact CD1-CB 4.05Å; F236-L257 HydrophobicContact CG-CB 4.22Å; F236-L257 HydrophobicContact CG-CD1 4.4Å; F236-R258 CarbonylContact C-O 3.59Å; F236-R258 WeakPolarHBondContact CA-O 3.5Å
237	K	98.6	Very high	90.9	Very high	96 Å²	96	40.7 Å²	40.7	42%	0.417	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.5	162.6	-173.3	173.3	-177.5	178	0	109.1	T239 R258 T260	K237-T239 PolarHBondContact O-N 3.34Å; K237-R258 PolarHBondContact N-O 2.9Å; K237-R258 PolarHBondContact O-N 2.69Å; K237-T260 HydrophobicContact CB-CG2 4.33Å
238	V	98.6	Very high	90.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	111.1	171	-175.1	0	0	0	0	108.5	V176 N178 K179 I181 I241 K256 L257	V176-V238 HydrophobicContact CB-CG2 4.45Å; V176-V238 HydrophobicContact CG2-CG1 4.41Å; V176-V238 HydrophobicContact CG2-CG2 4.24Å; V176-V238 VanDerWaalsContact O-CB 3.26Å; V176-V238 WeakPolarHBondContact O-CB 3.41Å; V176-V238 WeakPolarHBondContact O-CG2 3.43Å; N178-V238 WeakPolarHBondContact CA-O 3.33Å; N178-V238 PolarHBondContact N-O 3.25Å; K179-V238 PolarHBondContact O-N 3.06Å; I181-V238 HydrophobicContact CD1-CG2 4.21Å; I181-V238 HydrophobicContact CG1-CG2 4.12Å; I181-V238 HydrophobicContact CG2-CG2 4.07Å; V238-I241 HydrophobicContact CG1-CD1 4.23Å; V238-I241 HydrophobicContact CG1-CG1 3.96Å; V238-K256 WeakPolarHBondContact CA-O 3.02Å; V238-L257 HydrophobicContact CB-CD2 4.33Å; V238-L257 HydrophobicContact CG1-CD2 4.45Å; V238-L257 HydrophobicContact CG2-CD2 3.78Å
239	T	98.4	Very high	89.6	Confident	68 Å²	68	48.6 Å²	48.6	42%	0.417	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-15.5	-175.5	54.5	0	0	0	0	113.5	K237 K256 R258	K237-T239 PolarHBondContact O-N 3.34Å; T239-K256 PolarHBondContact N-O 3.49Å; T239-K256 WeakPolarHBondContact OG1-CB 3.49Å; T239-K256 PolarHBondContact OG1-O 3.16Å; T239-R258 HydrophobicContact CG2-CB 3.76Å
240	G	97.3	Very high	89.3	Confident	12 Å²	12	50.7 Å²	50.7	12%	0.124	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	151.6	179.8	0	0	0	0	0	112.6	K256	G240-K256 PolarHBondContact O-N 2.98Å
241	I	96.4	Very high	89.1	Confident	34 Å²	34	50.9 Å²	50.9	17%	0.174	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	104.1	173.9	-56.5	176.9	0	0	0	107.4	K174 V176 L177 V238 V253 V254 Y255	K174-I241 WeakPolarHBondContact O-CD1 3.41Å; V176-I241 HydrophobicContact CG2-CD1 3.9Å; L177-I241 HydrophobicContact CB-CD1 4.17Å; V238-I241 HydrophobicContact CG1-CD1 4.23Å; V238-I241 HydrophobicContact CG1-CG1 3.96Å; I241-V253 HydrophobicContact CG2-CG1 3.68Å; I241-V254 CarbonylContact C-O 3.51Å; I241-V254 WeakPolarHBondContact CA-O 3.09Å; I241-Y255 HydrophobicContact CD1-CD1 4.18Å; I241-Y255 HydrophobicContact CD1-CE1 4.11Å; I241-Y255 HydrophobicContact CG1-CD1 3.91Å; I241-Y255 HydrophobicContact CG1-CE1 4.23Å; I241-Y255 HydrophobicContact CG2-CD1 4.29Å; I241-Y255 HydrophobicContact CG2-CE1 4.07Å
242	N	93.3	Very high	88.9	Confident	69 Å²	69	55.6 Å²	55.6	37%	0.369	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.3	179.5	-59.4	-2.2	0	0	0	108.8	L249 V253 V254	N242-L249 HydrophobicContact CB-CD1 3.85Å; N242-L249 HydrophobicContact CB-CD2 4.43Å; N242-V253 CarbonylContact O-C 3.57Å; N242-V253 VanDerWaalsContact O-CA 3.31Å; N242-V253 WeakPolarHBondContact O-CA 3.45Å; N242-V254 HydrophobicContact CB-CB 4.33Å; N242-V254 PolarHBondContact N-O 3.04Å; N242-V254 PolarHBondContact O-N 3.04Å
243	K	88.9	Confident	88.7	Confident	131 Å²	131	55.9 Å²	55.9	57%	0.57	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.7	176.9	-58.8	175	-167.7	167.6	0	108.3	S245 L249	K243-S245 PolarHBondContact O-N 3.39Å; K243-L249 WeakPolarHBondContact O-CD1 3.31Å
244	A	73.7	Confident	88.6	Confident	40 Å²	40	55.9 Å²	55.9	33%	0.331	31%	0.311	S	S	.	.			trans	-69	104.2	173.4	0	0	0	0	0	108.2	L249 E252	A244-L249 HydrophobicContact CB-CB 4.42Å; A244-L249 HydrophobicContact CB-CD1 4.37Å; A244-E252 PolarHBondContact N-O 3.38Å
245	S	65.2	Low	88.6	Confident	101 Å²	101	55.9 Å²	55.9	71%	0.706	31%	0.311	S	S	*	.	S	Bend	trans	-91.3	-33.5	162.1	53.6	0	0	0	0	110.8	K243	K243-S245 PolarHBondContact O-N 3.39Å
246	D	54.5	Low	88.6	Confident	120 Å²	120	58.6 Å²	58.6	64%	0.642	32%	0.322	S	S	*	.	S	Bend	trans	-140.8	46.5	-166.1	-56.5	-64.3	0	0	0	115.1	T248	D246-T248 PolarHBondContact O-N 3.11Å
247	N	60	Low	88.6	Confident	164 Å²	164	58.8 Å²	58.8	88%	0.877	32%	0.323	S	S	*	.	S	Bend	trans	59.9	3.4	169.9	-71.3	-19.1	0	0	0	119.2
248	T	81.2	Confident	88.6	Confident	127 Å²	127	62.2 Å²	62.2	78%	0.779	33%	0.333	S	S	*	.			trans	-90.9	-8.6	-177.8	53.2	0	0	0	0	115	D246	D246-T248 PolarHBondContact O-N 3.11Å
249	L	88.4	Confident	88.6	Confident	46 Å²	46	62.8 Å²	62.8	24%	0.241	34%	0.337	C	S	.	.	S	Bend	trans	-89	145.7	-177.1	-65.4	-173	0	0	0	112.5	N242 K243 A244 C251 V254	N242-L249 HydrophobicContact CB-CD1 3.85Å; N242-L249 HydrophobicContact CB-CD2 4.43Å; K243-L249 WeakPolarHBondContact O-CD1 3.31Å; A244-L249 HydrophobicContact CB-CB 4.42Å; A244-L249 HydrophobicContact CB-CD1 4.37Å; L249-C251 WeakPolarHBondContact CB-O 3.08Å; L249-C251 PolarHBondContact O-N 2.81Å; L249-V254 HydrophobicContact CB-CG2 4.31Å; L249-V254 HydrophobicContact CD1-CG2 4.26Å; L249-V254 HydrophobicContact CD2-CG2 4.41Å
250	P	91.8	Very high	88.6	Confident	43 Å²	43	60.8 Å²	60.8	28%	0.279	33%	0.325	S	S	.	.	S	Bend	trans	-66.5	-19.2	177.7	26.5	-34.8	0	0	0	113.3	R167 Y194 V254	R167-P250 PolarHBondContact NH1-O 3.38Å; R167-P250 PolarHBondContact NH2-O 3.04Å; Y194-P250 HydrophobicContact CD2-CB 3.81Å; Y194-P250 HydrophobicContact CD2-CG 3.82Å; Y194-P250 HydrophobicContact CE2-CB 3.96Å; Y194-P250 HydrophobicContact CE2-CG 3.41Å; Y194-P250 VanDerWaalsContact CE2-CG 3.41Å; Y194-P250 HydrophobicContact CG-CB 4.3Å; P250-V254 HydrophobicContact CG-CG2 3.89Å
251	C	94.5	Very high	88.5	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.034	34%	0.339	C	S	.	.	S	Bend	trans	-143.8	163.8	175.7	-71.6	0	0	0	0	110.4	N202 C205 L249 V253	N202-C251 CarbonylContact O-C 3.5Å; N202-C251 WeakPolarHBondContact O-CA 3.37Å; N202-C251 WeakPolarHBondContact O-CB 3.41Å; C205-C251 VanDerWaalsContact CA-SG 3.52Å; C205-C251 HydrophobicContact CB-CB 3.47Å; C205-C251 VanDerWaalsContact CB-CB 3.47Å; C205-C251 WeakPolarHBondContact CB-SG 3.42Å; C205-C251 PolarHBondContact N-SG 3.17Å; C205-C251 WeakPolarHBondContact SG-CB 3.34Å; C205-C251 CovalentContact SG-SG 2.03Å; C205-C251 PolarHBondContact SG-SG 3.05Å; L249-C251 WeakPolarHBondContact CB-O 3.08Å; L249-C251 PolarHBondContact O-N 2.81Å; C251-V253 PolarHBondContact O-N 3.46Å; C251-V253 VanDerWaalsContact O-N 3.1Å
252	E	93.8	Very high	88.3	Confident	100 Å²	100	69.6 Å²	69.6	47%	0.467	36%	0.359	S	S	.	.	S	Bend	trans	-48.9	-37.2	171.4	-65.9	-66.2	159.6	0	0	113.1	N202 A244	N202-E252 PolarHBondContact O-N 3.23Å; A244-E252 PolarHBondContact N-O 3.38Å
253	V	95.2	Very high	88.4	Confident	6 Å²	6	69 Å²	69	4%	0.036	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	132.7	175.6	-169.8	0	0	0	0	109.5	S204 C205 I241 N242 C251 Y255	S204-V253 WeakPolarHBondContact CA-O 3.03Å; C205-V253 PolarHBondContact N-O 2.98Å; I241-V253 HydrophobicContact CG2-CG1 3.68Å; N242-V253 CarbonylContact O-C 3.57Å; N242-V253 VanDerWaalsContact O-CA 3.31Å; N242-V253 WeakPolarHBondContact O-CA 3.45Å; C251-V253 PolarHBondContact O-N 3.46Å; C251-V253 VanDerWaalsContact O-N 3.1Å; V253-Y255 HydrophobicContact CB-CE2 3.99Å; V253-Y255 HydrophobicContact CG1-CD2 4.18Å; V253-Y255 HydrophobicContact CG1-CE1 4.28Å; V253-Y255 HydrophobicContact CG1-CE2 3.57Å
254	V	96.5	Very high	88.8	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.024	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.4	173	-178.2	0	0	0	0	109.3	Y194 C205 I241 N242 L249 P250	Y194-V254 WeakPolarHBondContact OH-CG1 3.27Å; C205-V254 HydrophobicContact CB-CB 4.43Å; C205-V254 HydrophobicContact CB-CG1 4.41Å; C205-V254 HydrophobicContact CB-CG2 3.95Å; C205-V254 CarbonylContact O-C 3.49Å; C205-V254 WeakPolarHBondContact O-CA 3.12Å; I241-V254 CarbonylContact C-O 3.51Å; I241-V254 WeakPolarHBondContact CA-O 3.09Å; N242-V254 HydrophobicContact CB-CB 4.33Å; N242-V254 PolarHBondContact N-O 3.04Å; N242-V254 PolarHBondContact O-N 3.04Å; L249-V254 HydrophobicContact CB-CG2 4.31Å; L249-V254 HydrophobicContact CD1-CG2 4.26Å; L249-V254 HydrophobicContact CD2-CG2 4.41Å; P250-V254 HydrophobicContact CG-CG2 3.89Å
255	Y	97.9	Very high	89.9	Confident	1 Å²	1	65.4 Å²	65.4	0%	0.004	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.7	174	-60.8	-93.6	0	0	0	109.4	L42 F172 V176 C205 F206 E207 I241 V253	L42-Y255 HydrophobicContact CD1-CD1 4.04Å; L42-Y255 HydrophobicContact CD1-CE1 4.07Å; F172-Y255 HydrophobicContact CB-CE1 4.47Å; F172-Y255 HydrophobicContact CB-CE2 4.21Å; F172-Y255 HydrophobicContact CD2-CE2 4.38Å; F172-Y255 PolarHBondContact O-OH 2.88Å; F172-Y255 VanDerWaalsContact O-OH 3.11Å; V176-Y255 HydrophobicContact CG2-CE1 4.45Å; C205-Y255 PolarHBondContact O-N 3.1Å; F206-Y255 VanDerWaalsContact CA-O 3.32Å; F206-Y255 WeakPolarHBondContact CA-O 3.23Å; F206-Y255 HydrophobicContact CD1-CD2 4.36Å; F206-Y255 HydrophobicContact CD1-CG 4.24Å; F206-Y255 AromaticContact CE1-CD2 3.94Å; F206-Y255 HydrophobicContact CE1-CD2 3.94Å; F206-Y255 AromaticContact CE1-CG 3.9Å; F206-Y255 HydrophobicContact CE1-CG 3.9Å; F206-Y255 HydrophobicContact CZ-CD2 4.03Å; F206-Y255 HydrophobicContact CZ-CG 4.43Å; E207-Y255 PolarHBondContact N-O 2.91Å; I241-Y255 HydrophobicContact CD1-CD1 4.18Å; I241-Y255 HydrophobicContact CD1-CE1 4.11Å; I241-Y255 HydrophobicContact CG1-CD1 3.91Å; I241-Y255 HydrophobicContact CG1-CE1 4.23Å; I241-Y255 HydrophobicContact CG2-CD1 4.29Å; I241-Y255 HydrophobicContact CG2-CE1 4.07Å; V253-Y255 HydrophobicContact CB-CE2 3.99Å; V253-Y255 HydrophobicContact CG1-CD2 4.18Å; V253-Y255 HydrophobicContact CG1-CE1 4.28Å; V253-Y255 HydrophobicContact CG1-CE2 3.57Å
256	K	98.4	Very high	91.4	Very high	63 Å²	63	64.3 Å²	64.3	27%	0.274	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.8	172.9	-59.3	-163	173.7	-140.7	0	109.7	E207 V238 T239 G240	E207-K256 HydrophobicContact CB-CG 4.39Å; E207-K256 WeakPolarHBondContact O-CA 3.37Å; E207-K256 IonicContact OE1-NZ 3.14Å; E207-K256 PolarHBondContact OE1-NZ 3.17Å; E207-K256 VanDerWaalsContact OE1-NZ 3.09Å; E207-K256 WeakPolarHBondContact OE2-CE 3.27Å; E207-K256 IonicContact OE2-NZ 3.38Å; E207-K256 PolarHBondContact OE2-NZ 2.86Å; V238-K256 WeakPolarHBondContact CA-O 3.02Å; T239-K256 PolarHBondContact N-O 3.49Å; T239-K256 WeakPolarHBondContact OG1-CB 3.49Å; T239-K256 PolarHBondContact OG1-O 3.16Å; G240-K256 PolarHBondContact O-N 2.98Å
257	L	98.7	Very high	93.4	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.5	-178.6	-57.9	-171.4	0	0	0	109.1	I181 L183 F206 E207 I208 S209 F236 V238	I181-L257 HydrophobicContact CD1-CD1 4.01Å; I181-L257 HydrophobicContact CD1-CD2 3.78Å; I181-L257 HydrophobicContact CG1-CD2 4.35Å; L183-L257 HydrophobicContact CD2-CD1 4.05Å; F206-L257 HydrophobicContact CD1-CD1 3.74Å; F206-L257 HydrophobicContact CD1-CG 4.11Å; F206-L257 HydrophobicContact CE1-CD1 4.33Å; E207-L257 PolarHBondContact O-N 3.19Å; I208-L257 WeakPolarHBondContact CA-O 3.31Å; I208-L257 HydrophobicContact CB-CB 4.44Å; I208-L257 HydrophobicContact CD1-CD1 4.33Å; I208-L257 HydrophobicContact CG1-CB 4.34Å; I208-L257 HydrophobicContact CG1-CD1 4.14Å; I208-L257 HydrophobicContact CG1-CG 4.46Å; I208-L257 HydrophobicContact CG2-CB 4.13Å; S209-L257 PolarHBondContact N-O 3.22Å; F236-L257 HydrophobicContact CB-CB 4.05Å; F236-L257 HydrophobicContact CB-CD1 4.44Å; F236-L257 HydrophobicContact CD1-CB 4.05Å; F236-L257 HydrophobicContact CG-CB 4.22Å; F236-L257 HydrophobicContact CG-CD1 4.4Å; V238-L257 HydrophobicContact CB-CD2 4.33Å; V238-L257 HydrophobicContact CG1-CD2 4.45Å; V238-L257 HydrophobicContact CG2-CD2 3.78Å
258	R	98.6	Very high	95.2	Very high	168 Å²	168	54.5 Å²	54.5	63%	0.634	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.6	170	-178.5	178.1	-86.5	-168.1	-4.9	109.1	F236 K237 T239 T260	F236-R258 CarbonylContact C-O 3.59Å; F236-R258 WeakPolarHBondContact CA-O 3.5Å; K237-R258 PolarHBondContact N-O 2.9Å; K237-R258 PolarHBondContact O-N 2.69Å; T239-R258 HydrophobicContact CG2-CB 3.76Å; R258-T260 PolarHBondContact O-N 3.43Å
259	S	98.3	Very high	95.9	Very high	12 Å²	12	49.4 Å²	49.4	8%	0.084	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	140.2	173.6	-177.3	0	0	0	0	110.5	S209 C211 E234 N261	S209-S259 WeakPolarHBondContact O-CB 3.27Å; S209-S259 PolarHBondContact O-N 3.32Å; C211-S259 WeakPolarHBondContact SG-CB 3.38Å; C211-S259 PolarHBondContact SG-OG 2.76Å; C211-S259 VanDerWaalsContact SG-OG 3.37Å; E234-S259 WeakPolarHBondContact OE1-CB 3.49Å; E234-S259 PolarHBondContact OE1-OG 3.11Å; S259-N261 PolarHBondContact O-N 3.03Å; S259-N261 PolarHBondContact OG-N 3.33Å
260	T	97.4	Very high	96.3	Very high	27 Å²	27	48.1 Å²	48.1	17%	0.166	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	1.3	175.2	62.6	0	0	0	0	112.4	E180 V235 K237 R258 R262	E180-T260 HydrophobicContact CG-CG2 4.37Å; V235-T260 WeakPolarHBondContact CB-OG1 3.49Å; V235-T260 HydrophobicContact CG1-CG2 4.01Å; V235-T260 PolarHBondContact O-N 3.29Å; V235-T260 PolarHBondContact O-OG1 3.08Å; K237-T260 HydrophobicContact CB-CG2 4.33Å; R258-T260 PolarHBondContact O-N 3.43Å; T260-R262 PolarHBondContact O-N 2.96Å; T260-R262 PolarHBondContact OG1-N 3Å; T260-R262 PolarHBondContact OG1-O 3.47Å
261	N	95.6	Very high	96.5	Very high	77 Å²	77	47.3 Å²	47.3	41%	0.412	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.7	14.6	-172.2	-158.6	21.9	0	0	0	114.2	A158 S259	A158-N261 WeakPolarHBondContact CB-OD1 3.38Å; A158-N261 PolarHBondContact O-OD1 3.35Å; S259-N261 PolarHBondContact O-N 3.03Å; S259-N261 PolarHBondContact OG-N 3.33Å
262	R	93.3	Very high	96.5	Very high	154 Å²	154	49.3 Å²	49.3	58%	0.581	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.3	-179.2	-70.7	177.6	-72.5	148.4	7.1	108.9	E180 V235 T260	E180-R262 IonicContact OE1-NH2 2.75Å; E180-R262 PolarHBondContact OE1-NH2 2.83Å; V235-R262 WeakPolarHBondContact CB-O 3.39Å; T260-R262 PolarHBondContact O-N 2.96Å; T260-R262 PolarHBondContact OG1-N 3Å; T260-R262 PolarHBondContact OG1-O 3.47Å
263	P	94.9	Very high	95.7	Very high	56 Å²	56	54.2 Å²	54.2	36%	0.364	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	151.1	173.7	33.7	-32.2	0	0	0	109.9	M52 F212 Y233	M52-P263 HydrophobicContact CE-CB 3.73Å; M52-P263 HydrophobicContact CE-CG 3.73Å; M52-P263 HydrophobicContact SD-CB 3.79Å; M52-P263 HydrophobicContact SD-CG 4.21Å; F212-P263 HydrophobicContact CE1-CB 4.41Å; F212-P263 HydrophobicContact CE1-CG 4.35Å; F212-P263 HydrophobicContact CZ-CB 4.2Å; F212-P263 HydrophobicContact CZ-CG 4.09Å; Y233-P263 HydrophobicContact CD2-CB 3.68Å; Y233-P263 HydrophobicContact CE2-CB 4.3Å; Y233-P263 WeakPolarHBondContact O-CA 3.39Å
264	L	96.7	Very high	94.3	Very high	66 Å²	66	65.1 Å²	65.1	35%	0.346	30%	0.302	S	S	.	.			trans	-128	117.8	170.1	177.6	67.3	0	0	0	109	M44 R182 Y233 V235	M44-L264 HydrophobicContact CE-CD2 3.6Å; R182-L264 PolarHBondContact NH1-O 3.36Å; Y233-L264 WeakPolarHBondContact CA-O 3.34Å; Y233-L264 VanDerWaalsContact CB-O 3.3Å; Y233-L264 WeakPolarHBondContact CB-O 3.41Å; Y233-L264 PolarHBondContact O-N 2.83Å; V235-L264 HydrophobicContact CG2-CB 3.63Å
265	S	96.6	Very high	92.4	Very high	29 Å²	29	74.2 Å²	74.2	20%	0.203	34%	0.342	C	S	.	.			trans	-122.6	127.5	173.3	-177.3	0	0	0	0	110.2	D50 L267 N268	D50-S265 WeakPolarHBondContact O-CB 3.35Å; D50-S265 PolarHBondContact O-OG 3.42Å; S265-L267 PolarHBondContact OG-N 2.83Å; S265-N268 PolarHBondContact OG-N 3.13Å; S265-N268 VanDerWaalsContact OG-N 3.1Å
266	N	96.3	Very high	90.1	Very high	79 Å²	79	80.2 Å²	80.2	42%	0.422	38%	0.378	S	S	.	.	S	Bend	trans	-97.2	-7.6	174.1	-61.5	-86.6	0	0	0	112.4	D50 R182	D50-N266 VanDerWaalsContact CG-N 3.27Å; D50-N266 PolarHBondContact OD1-N 2.93Å; D50-N266 PolarHBondContact OD2-N 3.39Å; D50-N266 VanDerWaalsContact OD2-N 3.14Å; D50-N266 PolarHBondContact OD2-ND2 2.81Å; R182-N266 PolarHBondContact NH2-ND2 2.86Å
267	L	97.3	Very high	87.7	Confident	14 Å²	14	81.6 Å²	81.6	7%	0.073	40%	0.396	C	S	.	.	S	Bend	trans	-121.1	11.6	-175.8	-71.3	178.1	0	0	0	113.3	V49 D50 D51 K131 Y134 S265 C269 A270	V49-L267 HydrophobicContact CB-CD1 4.34Å; V49-L267 HydrophobicContact CG1-CD1 4.05Å; V49-L267 HydrophobicContact CG2-CD1 4.48Å; D50-L267 PolarHBondContact OD1-N 3.36Å; D51-L267 HydrophobicContact CB-CB 4.05Å; D51-L267 VanDerWaalsContact OD2-O 3.04Å; K131-L267 HydrophobicContact CB-CD1 4.45Å; K131-L267 HydrophobicContact CG-CD1 3.91Å; K131-L267 HydrophobicContact CG-CD2 4.19Å; K131-L267 HydrophobicContact CG-CG 4.12Å; Y134-L267 HydrophobicContact CD1-CB 4.27Å; Y134-L267 HydrophobicContact CD1-CD1 3.71Å; Y134-L267 HydrophobicContact CD1-CD2 3.87Å; Y134-L267 HydrophobicContact CD1-CG 4.18Å; Y134-L267 HydrophobicContact CD2-CD1 4.13Å; Y134-L267 HydrophobicContact CE1-CB 4.23Å; Y134-L267 HydrophobicContact CE1-CD1 4.24Å; Y134-L267 HydrophobicContact CG-CD1 3.63Å; Y134-L267 HydrophobicContact CG-CD2 4.39Å; S265-L267 PolarHBondContact OG-N 2.83Å; L267-C269 PolarHBondContact O-N 2.79Å; L267-A270 HydrophobicContact CB-CB 4.18Å; L267-A270 HydrophobicContact CD2-CB 3.86Å; L267-A270 WeakPolarHBondContact O-CB 3.36Å; L267-A270 PolarHBondContact O-N 2.77Å
268	N	97.6	Very high	85.1	Confident	63 Å²	63	84.7 Å²	84.7	34%	0.337	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	112.7	-177.5	-168.8	63.8	0	0	0	111.7	D51 M52 Y53 D54 S265 A270	D51-N268 VanDerWaalsContact OD1-CA 3.28Å; D51-N268 WeakPolarHBondContact OD1-CA 3.4Å; M52-N268 WeakPolarHBondContact CB-OD1 3.24Å; Y53-N268 PolarHBondContact N-OD1 2.87Å; D54-N268 PolarHBondContact N-OD1 2.89Å; D54-N268 PolarHBondContact O-ND2 2.94Å; D54-N268 VanDerWaalsContact O-ND2 3.09Å; S265-N268 PolarHBondContact OG-N 3.13Å; S265-N268 VanDerWaalsContact OG-N 3.1Å; N268-A270 PolarHBondContact O-N 3.31Å
269	C	97.3	Very high	82.6	Confident	20 Å²	20	88.1 Å²	88.1	14%	0.135	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	27.2	-177.9	-59.9	0	0	0	0	115.1	D51 D54 C56 L267 L271 F272	D51-C269 PolarHBondContact OD1-N 2.91Å; D54-C269 PolarHBondContact O-SG 3.25Å; C56-C269 HydrophobicContact CB-CB 3.72Å; C56-C269 WeakPolarHBondContact CB-SG 3.32Å; C56-C269 WeakPolarHBondContact SG-CA 3.32Å; C56-C269 WeakPolarHBondContact SG-CB 3.31Å; C56-C269 CovalentContact SG-SG 2.02Å; C56-C269 PolarHBondContact SG-SG 3.19Å; L267-C269 PolarHBondContact O-N 2.79Å; C269-L271 PolarHBondContact O-N 2.7Å; C269-F272 HydrophobicContact CB-CD2 4.48Å; C269-F272 PolarHBondContact O-N 3.11Å
270	A	96.5	Very high	79.8	Confident	19 Å²	19	100.1 Å²	100.1	16%	0.157	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.8	-171.9	0	0	0	0	0	114.5	Y134 K135 L267 N268 F272	Y134-A270 HydrophobicContact CD1-CB 4.18Å; Y134-A270 HydrophobicContact CE1-CB 4.12Å; K135-A270 WeakPolarHBondContact CE-O 3.12Å; K135-A270 PolarHBondContact NZ-O 2.88Å; L267-A270 HydrophobicContact CB-CB 4.18Å; L267-A270 HydrophobicContact CD2-CB 3.86Å; L267-A270 WeakPolarHBondContact O-CB 3.36Å; L267-A270 PolarHBondContact O-N 2.77Å; N268-A270 PolarHBondContact O-N 3.31Å; A270-F272 VanDerWaalsContact C-N 3.34Å
271	L	95.9	Very high	79	Confident	27 Å²	27	103.8 Å²	103.8	14%	0.141	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-11	174.6	-72.4	176.7	0	0	0	114.3	M60 F68 Y134 K135 C269	M60-L271 HydrophobicContact CE-CD1 3.92Å; M60-L271 HydrophobicContact SD-CD1 3.76Å; F68-L271 HydrophobicContact CE2-CD1 3.79Å; F68-L271 HydrophobicContact CZ-CD1 3.78Å; Y134-L271 HydrophobicContact CE1-CD1 4.41Å; Y134-L271 HydrophobicContact CE1-CG 3.94Å; K135-L271 HydrophobicContact CB-CD2 4.24Å; K135-L271 HydrophobicContact CG-CD2 4.21Å; C269-L271 PolarHBondContact O-N 2.7Å
272	F	93.9	Very high	78.1	Confident	46 Å²	46	105.2 Å²	105.2	20%	0.202	51%	0.507	C	S	.	.	S	Bend	trans	-115.9	142.7	-177.1	-54.9	-74.1	0	0	0	109.1	C56 D59 M60 K63 C269 A270 R274	C56-F272 HydrophobicContact CB-CD2 3.75Å; C56-F272 HydrophobicContact CB-CE2 4.18Å; C56-F272 HydrophobicContact CB-CG 4.47Å; D59-F272 VanDerWaalsContact C-CZ 3.43Å; D59-F272 HydrophobicContact CB-CD1 3.91Å; D59-F272 HydrophobicContact CB-CE1 3.64Å; D59-F272 HydrophobicContact CB-CE2 4.28Å; D59-F272 HydrophobicContact CB-CG 4.35Å; D59-F272 HydrophobicContact CB-CZ 3.86Å; D59-F272 WeakPolarHBondContact O-CZ 3.2Å; M60-F272 HydrophobicContact CB-CE2 3.91Å; M60-F272 HydrophobicContact CB-CZ 4.12Å; M60-F272 HydrophobicContact SD-CE2 3.98Å; M60-F272 HydrophobicContact SD-CZ 4.07Å; K63-F272 HydrophobicContact CB-CZ 4.3Å; K63-F272 HydrophobicContact CD-CE1 3.93Å; K63-F272 HydrophobicContact CD-CZ 3.92Å; C269-F272 HydrophobicContact CB-CD2 4.48Å; C269-F272 PolarHBondContact O-N 3.11Å; A270-F272 VanDerWaalsContact C-N 3.34Å; F272-R274 PolarHBondContact O-N 3.33Å
273	K	76.7	Confident	77.2	Confident	203 Å²	203	102.4 Å²	102.4	88%	0.883	50%	0.503	S	S	*	.			trans	-67.3	133.7	171.5	-67.8	-175.3	179	-177.9	0	107	K275	K273-K275 PolarHBondContact O-N 3.39Å; K273-K275 VanDerWaalsContact O-N 3.1Å
274	R	66.1	Low	76.2	Confident	235 Å²	235	105.2 Å²	105.2	89%	0.887	51%	0.512	S	S	*	.			trans	-59.9	119.7	165.6	-68.3	-178.1	79.5	164.1	2.6	105.8	F272 T276	F272-R274 PolarHBondContact O-N 3.33Å; R274-T276 VanDerWaalsContact C-N 3.32Å; R274-T276 PolarHBondContact O-N 3.4Å
275	K	56.8	Low	74.9	Confident	195 Å²	195	107.6 Å²	107.6	85%	0.848	52%	0.522	S	S	*	.			trans	-61.7	104.5	164.9	-68.9	-176.2	-179.1	178.5	0	105.2	K273 S277	K273-K275 PolarHBondContact O-N 3.39Å; K273-K275 VanDerWaalsContact O-N 3.1Å; K275-S277 PolarHBondContact O-N 3.36Å; K275-S277 VanDerWaalsContact O-N 3.16Å
276	T	50.3	Low	73.5	Confident	127 Å²	127	112.9 Å²	112.9	78%	0.779	54%	0.543	S	S	*	.			trans	-60.5	114.1	160.9	37.5	0	0	0	0	105.1	R274 A278	R274-T276 VanDerWaalsContact C-N 3.32Å; R274-T276 PolarHBondContact O-N 3.4Å; T276-A278 PolarHBondContact O-N 3.26Å
277	S	46.5	Very low	71.9	Confident	93 Å²	93	115.3 Å²	115.3	65%	0.65	55%	0.552	S	S	*	*			trans	-59.8	94.8	163.4	17.3	0	0	0	0	106.4	K275 W279	K275-S277 PolarHBondContact O-N 3.36Å; K275-S277 VanDerWaalsContact O-N 3.16Å; S277-W279 VanDerWaalsContact C-N 3.27Å; S277-W279 PolarHBondContact O-N 3.37Å
278	A	44	Very low	69.9	Low	69 Å²	69	123.1 Å²	123.1	57%	0.57	59%	0.589	S	S	*	*			trans	-66.2	100.1	158.4	0	0	0	0	0	104.6	T276 F280	T276-A278 PolarHBondContact O-N 3.26Å; A278-F280 HydrophobicContact CB-CD2 4.28Å; A278-F280 HydrophobicContact CB-CE2 4Å; A278-F280 PolarHBondContact O-N 3.05Å
279	W	47.1	Very low	67.6	Low	239 Å²	239	128.1 Å²	128.1	91%	0.905	61%	0.61	S	S	*	*			trans	-65	111	161.4	-66.4	85.5	0	0	0	105.3	S277	S277-W279 VanDerWaalsContact C-N 3.27Å; S277-W279 PolarHBondContact O-N 3.37Å
280	F	40.1	Very low	64.9	Low	264 Å²	264	137.9 Å²	137.9	100%	1.158	65%	0.653	S	S	*	*			trans	-91.2	0	162.6	-77.6	-80.7	0	0	0	107.9	A278	A278-F280 HydrophobicContact CB-CD2 4.28Å; A278-F280 HydrophobicContact CB-CE2 4Å; A278-F280 PolarHBondContact O-N 3.05Å

Retrieved 280 of 280 residues in 225.2 ms (Link to these results)

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