A0A096N419_PAPAN Loading...

Carbohydrate sulfotransferase

AlphaFold DB , UniProt , Accession A0A096N419, Species PAPAN (Papio anubis, Olive baboon), Gene CHST9, Length 444 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	41.7	Very low	53.8	Low	249 Å²	249	158.1 Å²	158.1	100%	1.227	80%	0.8	S	S	*	*				0	110.7	0	-102.1	160.1	161.6	0	0	107.5
2	Q	35.6	Very low	54.8	Low	186 Å²	186	155.8 Å²	155.8	87%	0.869	78%	0.784	S	S	*	*			trans	-68.5	148.8	176	-76.6	175.2	-51.7	0	0	110.5
3	P	47.5	Very low	56.1	Low	127 Å²	127	148.8 Å²	148.8	83%	0.825	75%	0.754	S	S	*	*			trans	-80.8	128.6	170.8	25.4	-15.5	0	0	0	109.9	E5	P3-E5 PolarHBondContact O-N 3.14Å
4	F	42	Very low	57.3	Low	208 Å²	208	148.4 Å²	148.4	91%	0.912	75%	0.745	S	S	*	*			trans	-71.5	114.6	169.9	-92.9	-97.9	0	0	0	109.5	M6	F4-M6 PolarHBondContact O-N 3.26Å
5	E	48.1	Very low	58.3	Low	177 Å²	177	145.1 Å²	145.1	83%	0.827	73%	0.73	S	S	*	*			trans	-67.9	112.4	160.7	-88.9	-176.5	146.2	0	0	109	P3 V7	P3-E5 PolarHBondContact O-N 3.14Å; E5-V7 PolarHBondContact O-N 3.08Å; E5-V7 VanDerWaalsContact O-N 3.16Å
6	M	52	Low	59.1	Low	178 Å²	178	139.7 Å²	139.7	88%	0.877	71%	0.71	S	S	*	*			trans	-83.1	87.2	171.6	-161.1	179	-68.5	0	0	108.5	F4 M8	F4-M6 PolarHBondContact O-N 3.26Å; M6-M8 PolarHBondContact O-N 3.42Å; M6-M8 VanDerWaalsContact O-N 3.14Å
7	V	54.8	Low	59.8	Low	124 Å²	124	137.2 Å²	137.2	75%	0.752	70%	0.703	S	S	*	*			trans	-70.7	104.9	172.4	-179.3	0	0	0	0	108.2	E5 N9	E5-V7 PolarHBondContact O-N 3.08Å; E5-V7 VanDerWaalsContact O-N 3.16Å; V7-N9 PolarHBondContact O-N 2.93Å
8	M	62	Low	60.7	Low	135 Å²	135	134.7 Å²	134.7	67%	0.665	69%	0.691	S	S	*	*			trans	-67.6	130.7	175.7	-71	-167.4	-65.6	0	0	110.7	M6 V13	M6-M8 PolarHBondContact O-N 3.42Å; M6-M8 VanDerWaalsContact O-N 3.14Å; M8-V13 HydrophobicContact CB-CG2 4.18Å; M8-V13 HydrophobicContact CE-CG2 4.5Å
9	N	74.6	Confident	61.4	Low	83 Å²	83	132.7 Å²	132.7	44%	0.444	68%	0.68	S	S	.	*			trans	-63.2	125.6	179.8	-175	-27.7	0	0	0	110.2	V7 K11 Q12 V13	V7-N9 PolarHBondContact O-N 2.93Å; N9-K11 PolarHBondContact O-N 3.25Å; N9-K11 WeakPolarHBondContact OD1-CB 3.25Å; N9-K11 PolarHBondContact OD1-N 3.44Å; N9-Q12 HydrophobicContact CB-CB 4.46Å; N9-Q12 WeakPolarHBondContact O-CB 3.38Å; N9-Q12 PolarHBondContact O-N 3.16Å; N9-V13 PolarHBondContact O-N 3.49Å
10	P	66.3	Low	61.9	Low	102 Å²	102	133.7 Å²	133.7	66%	0.662	68%	0.68	S	S	*	*	H	α-helix	trans	-53.4	-30.4	179.5	-26.2	33.4	0	0	0	113.5	V13 F14	P10-V13 PolarHBondContact O-N 3.16Å; P10-F14 WeakPolarHBondContact O-CB 3.41Å; P10-F14 PolarHBondContact O-N 3.3Å
11	K	67.2	Low	62.8	Low	170 Å²	170	129 Å²	129	74%	0.739	67%	0.665	S	S	*	*	H	α-helix	trans	-68.3	-34.6	176.4	-63.6	-175.1	177.9	-177.5	0	112.8	N9 L15	N9-K11 PolarHBondContact O-N 3.25Å; N9-K11 WeakPolarHBondContact OD1-CB 3.25Å; N9-K11 PolarHBondContact OD1-N 3.44Å; K11-L15 VanDerWaalsContact O-CB 3.29Å; K11-L15 WeakPolarHBondContact O-CB 3.44Å; K11-L15 PolarHBondContact O-N 3.38Å
12	Q	66.1	Low	64.8	Low	130 Å²	130	121 Å²	121	61%	0.607	63%	0.63	S	S	*	*	H	α-helix	trans	-73	-38.4	175.2	-94.4	-177.7	-26.7	0	0	111.9	N9 L15 S16	N9-Q12 HydrophobicContact CB-CB 4.46Å; N9-Q12 WeakPolarHBondContact O-CB 3.38Å; N9-Q12 PolarHBondContact O-N 3.16Å; Q12-L15 PolarHBondContact O-N 3.33Å; Q12-S16 WeakPolarHBondContact O-CB 3.35Å; Q12-S16 PolarHBondContact O-N 2.79Å; Q12-S16 PolarHBondContact O-OG 2.9Å
13	V	71.4	Confident	67	Low	66 Å²	66	114.6 Å²	114.6	40%	0.4	61%	0.609	S	S	.	*	H	α-helix	trans	-64.1	-44.8	174.3	179.6	0	0	0	0	110	M8 N9 P10 L15 S16 V17	M8-V13 HydrophobicContact CB-CG2 4.18Å; M8-V13 HydrophobicContact CE-CG2 4.5Å; N9-V13 PolarHBondContact O-N 3.49Å; P10-V13 PolarHBondContact O-N 3.16Å; V13-L15 PolarHBondContact O-N 2.98Å; V13-S16 PolarHBondContact O-N 2.75Å; V13-V17 HydrophobicContact CG1-CG2 4.45Å; V13-V17 VanDerWaalsContact O-CG2 3.31Å; V13-V17 WeakPolarHBondContact O-CG2 3.41Å; V13-V17 PolarHBondContact O-N 3Å
14	F	73.3	Confident	68.7	Low	143 Å²	143	110.4 Å²	110.4	63%	0.627	59%	0.589	S	S	*	*	H	α-helix	trans	-62.8	-43.5	177.1	-165.6	-96.9	0	0	0	112.1	P10 V17 L18	P10-F14 WeakPolarHBondContact O-CB 3.41Å; P10-F14 PolarHBondContact O-N 3.3Å; F14-V17 PolarHBondContact O-N 3.03Å; F14-L18 HydrophobicContact CE1-CD1 3.85Å; F14-L18 HydrophobicContact CZ-CD1 4.21Å; F14-L18 WeakPolarHBondContact O-CB 3.29Å; F14-L18 PolarHBondContact O-N 3.14Å
15	L	71.5	Confident	70.6	Confident	99 Å²	99	105.8 Å²	105.8	52%	0.518	57%	0.573	S	S	.	*	H	α-helix	trans	-64.8	-40.2	177.3	-166.8	70.6	0	0	0	112	K11 Q12 V13 L18 I19	K11-L15 VanDerWaalsContact O-CB 3.29Å; K11-L15 WeakPolarHBondContact O-CB 3.44Å; K11-L15 PolarHBondContact O-N 3.38Å; Q12-L15 PolarHBondContact O-N 3.33Å; V13-L15 PolarHBondContact O-N 2.98Å; L15-L18 PolarHBondContact O-N 3.32Å; L15-I19 HydrophobicContact CD1-CD1 4.25Å; L15-I19 HydrophobicContact CD2-CD1 4.39Å; L15-I19 HydrophobicContact CG-CD1 3.81Å; L15-I19 WeakPolarHBondContact O-CB 3.3Å; L15-I19 VanDerWaalsContact O-CG1 3.22Å; L15-I19 WeakPolarHBondContact O-CG1 3.3Å; L15-I19 PolarHBondContact O-N 2.9Å
16	S	71.6	Confident	72.3	Confident	58 Å²	58	102.6 Å²	102.6	41%	0.406	56%	0.561	S	S	.	*	H	α-helix	trans	-63.6	-46.4	173.3	-83.5	0	0	0	0	111.8	Q12 V13 L18 I19 F20	Q12-S16 WeakPolarHBondContact O-CB 3.35Å; Q12-S16 PolarHBondContact O-N 2.79Å; Q12-S16 PolarHBondContact O-OG 2.9Å; V13-S16 PolarHBondContact O-N 2.75Å; S16-L18 VanDerWaalsContact C-N 3.28Å; S16-L18 PolarHBondContact O-N 2.97Å; S16-I19 PolarHBondContact O-N 3.45Å; S16-F20 WeakPolarHBondContact O-CB 3.39Å; S16-F20 WeakPolarHBondContact O-CD2 3.22Å; S16-F20 PolarHBondContact O-N 2.88Å
17	V	71.6	Confident	73.9	Confident	97 Å²	97	99.1 Å²	99.1	59%	0.588	55%	0.546	S	S	*	.	H	α-helix	trans	-63.2	-37.2	177.6	172.9	0	0	0	0	111.2	V13 F14 G21	V13-V17 HydrophobicContact CG1-CG2 4.45Å; V13-V17 VanDerWaalsContact O-CG2 3.31Å; V13-V17 WeakPolarHBondContact O-CG2 3.41Å; V13-V17 PolarHBondContact O-N 3Å; F14-V17 PolarHBondContact O-N 3.03Å; V17-G21 VanDerWaalsContact O-CA 3.24Å; V17-G21 WeakPolarHBondContact O-CA 3.42Å; V17-G21 PolarHBondContact O-N 3.21Å
18	L	75.2	Confident	75.2	Confident	93 Å²	93	99.3 Å²	99.3	49%	0.487	54%	0.537	S	S	.	.	H	α-helix	trans	-67.3	-47.2	176.8	-149	101.1	0	0	0	111.4	F14 L15 S16 V22	F14-L18 HydrophobicContact CE1-CD1 3.85Å; F14-L18 HydrophobicContact CZ-CD1 4.21Å; F14-L18 WeakPolarHBondContact O-CB 3.29Å; F14-L18 PolarHBondContact O-N 3.14Å; L15-L18 PolarHBondContact O-N 3.32Å; S16-L18 VanDerWaalsContact C-N 3.28Å; S16-L18 PolarHBondContact O-N 2.97Å; L18-V22 VanDerWaalsContact O-CB 3.27Å; L18-V22 WeakPolarHBondContact O-CB 3.14Å; L18-V22 WeakPolarHBondContact O-CG2 3.27Å; L18-V22 PolarHBondContact O-N 3.45Å
19	I	73.6	Confident	76.2	Confident	96 Å²	96	98.4 Å²	98.4	49%	0.492	53%	0.532	S	S	.	.	H	α-helix	trans	-69.6	-50.1	-177.5	-67.7	170.4	0	0	0	111	L15 S16 A23	L15-I19 HydrophobicContact CD1-CD1 4.25Å; L15-I19 HydrophobicContact CD2-CD1 4.39Å; L15-I19 HydrophobicContact CG-CD1 3.81Å; L15-I19 WeakPolarHBondContact O-CB 3.3Å; L15-I19 VanDerWaalsContact O-CG1 3.22Å; L15-I19 WeakPolarHBondContact O-CG1 3.3Å; L15-I19 PolarHBondContact O-N 2.9Å; S16-I19 PolarHBondContact O-N 3.45Å; I19-A23 WeakPolarHBondContact O-CB 3.45Å; I19-A23 PolarHBondContact O-N 3.5Å
20	F	72.5	Confident	76.9	Confident	152 Å²	152	102.1 Å²	102.1	67%	0.667	54%	0.541	S	S	*	.	H	α-helix	trans	-73.3	-31.2	-179.5	-68.9	-69.5	0	0	0	112.3	S16 G24	S16-F20 WeakPolarHBondContact O-CB 3.39Å; S16-F20 WeakPolarHBondContact O-CD2 3.22Å; S16-F20 PolarHBondContact O-N 2.88Å; F20-G24 PolarHBondContact O-N 3.42Å
21	G	80.3	Confident	77.5	Confident	37 Å²	37	101 Å²	101	38%	0.381	53%	0.529	S	S	.	.	H	α-helix	trans	-68	-46.5	174.9	0	0	0	0	0	112.4	V17 G24 L25	V17-G21 VanDerWaalsContact O-CA 3.24Å; V17-G21 WeakPolarHBondContact O-CA 3.42Å; V17-G21 PolarHBondContact O-N 3.21Å; G21-G24 PolarHBondContact O-N 2.8Å; G21-L25 WeakPolarHBondContact O-CB 3.21Å; G21-L25 PolarHBondContact O-N 3.42Å
22	V	83.8	Confident	78.2	Confident	79 Å²	79	97.4 Å²	97.4	48%	0.479	52%	0.515	S	S	.	.	H	α-helix	trans	-69	-43.1	177.8	174.1	0	0	0	0	111	L18 G24 L25 L26	L18-V22 VanDerWaalsContact O-CB 3.27Å; L18-V22 WeakPolarHBondContact O-CB 3.14Å; L18-V22 WeakPolarHBondContact O-CG2 3.27Å; L18-V22 PolarHBondContact O-N 3.45Å; V22-G24 VanDerWaalsContact C-N 3.32Å; V22-G24 PolarHBondContact O-N 2.92Å; V22-L25 PolarHBondContact O-N 3.34Å; V22-L26 HydrophobicContact CG1-CD1 4.03Å; V22-L26 HydrophobicContact CG1-CG 4.42Å; V22-L26 WeakPolarHBondContact O-CG 3.5Å; V22-L26 PolarHBondContact O-N 3.4Å
23	A	81.9	Confident	78.9	Confident	53 Å²	53	94.8 Å²	94.8	44%	0.438	51%	0.508	S	S	.	.	H	α-helix	trans	-62.9	-38.9	175.5	0	0	0	0	0	112.1	I19 L26 L27	I19-A23 WeakPolarHBondContact O-CB 3.45Å; I19-A23 PolarHBondContact O-N 3.5Å; A23-L26 PolarHBondContact O-N 2.91Å; A23-L27 WeakPolarHBondContact O-CB 3.26Å; A23-L27 PolarHBondContact O-N 3.46Å
24	G	82.9	Confident	79.4	Confident	39 Å²	39	97.4 Å²	97.4	40%	0.402	51%	0.511	S	S	.	.	H	α-helix	trans	-64.7	-41.4	174.9	0	0	0	0	0	112.9	F20 G21 V22 L27 F28	F20-G24 PolarHBondContact O-N 3.42Å; G21-G24 PolarHBondContact O-N 2.8Å; V22-G24 VanDerWaalsContact C-N 3.32Å; V22-G24 PolarHBondContact O-N 2.92Å; G24-L27 PolarHBondContact O-N 2.86Å; G24-F28 WeakPolarHBondContact O-CB 3.13Å; G24-F28 PolarHBondContact O-N 2.78Å
25	L	81.3	Confident	79.5	Confident	111 Å²	111	94.5 Å²	94.5	58%	0.581	50%	0.501	S	S	*	.	H	α-helix	trans	-64.6	-44.2	175	-106.9	155.7	0	0	0	112	G21 V22 F28 M29	G21-L25 WeakPolarHBondContact O-CB 3.21Å; G21-L25 PolarHBondContact O-N 3.42Å; V22-L25 PolarHBondContact O-N 3.34Å; L25-F28 PolarHBondContact O-N 3.37Å; L25-M29 WeakPolarHBondContact O-CG 3.37Å; L25-M29 PolarHBondContact O-N 3.03Å
26	L	85.1	Confident	79.6	Confident	110 Å²	110	95.4 Å²	95.4	58%	0.576	50%	0.502	S	S	*	.	H	α-helix	trans	-64.7	-40.2	177.1	-70.7	172.9	0	0	0	111.8	V22 A23 M29 Y30	V22-L26 HydrophobicContact CG1-CD1 4.03Å; V22-L26 HydrophobicContact CG1-CG 4.42Å; V22-L26 WeakPolarHBondContact O-CG 3.5Å; V22-L26 PolarHBondContact O-N 3.4Å; A23-L26 PolarHBondContact O-N 2.91Å; L26-M29 PolarHBondContact O-N 2.92Å; L26-Y30 VanDerWaalsContact O-CB 3.3Å; L26-Y30 WeakPolarHBondContact O-CB 3.12Å; L26-Y30 PolarHBondContact O-N 3.34Å
27	L	84.6	Confident	79.6	Confident	105 Å²	105	98.5 Å²	98.5	55%	0.55	51%	0.51	S	S	.	.	H	α-helix	trans	-64.7	-41.2	175.1	-176.5	65.9	0	0	0	111.6	A23 G24 Y30 L31	A23-L27 WeakPolarHBondContact O-CB 3.26Å; A23-L27 PolarHBondContact O-N 3.46Å; G24-L27 PolarHBondContact O-N 2.86Å; L27-Y30 PolarHBondContact O-N 2.89Å; L27-L31 HydrophobicContact CD1-CD1 4.44Å; L27-L31 HydrophobicContact CG-CD1 4.08Å; L27-L31 WeakPolarHBondContact O-CB 3.07Å; L27-L31 VanDerWaalsContact O-CG 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.23Å; L27-L31 PolarHBondContact O-N 2.87Å
28	F	81.8	Confident	79.3	Confident	127 Å²	127	99.1 Å²	99.1	56%	0.557	51%	0.507	S	S	*	.	H	α-helix	trans	-64.1	-45.8	176.2	-179.7	-98.3	0	0	0	111.7	G24 L25 Y30 L31 Q32	G24-F28 WeakPolarHBondContact O-CB 3.13Å; G24-F28 PolarHBondContact O-N 2.78Å; L25-F28 PolarHBondContact O-N 3.37Å; F28-Y30 PolarHBondContact O-N 3Å; F28-L31 PolarHBondContact O-N 2.75Å; F28-Q32 WeakPolarHBondContact O-CB 3.34Å; F28-Q32 PolarHBondContact O-N 2.97Å
29	M	84.2	Confident	78.3	Confident	117 Å²	117	100.3 Å²	100.3	58%	0.576	51%	0.509	S	S	*	.	H	α-helix	trans	-62.2	-42.9	175.4	-71.3	-166.5	75.6	0	0	112	L25 L26 Q32 V33	L25-M29 WeakPolarHBondContact O-CG 3.37Å; L25-M29 PolarHBondContact O-N 3.03Å; L26-M29 PolarHBondContact O-N 2.92Å; M29-Q32 PolarHBondContact O-N 2.87Å; M29-V33 WeakPolarHBondContact O-CG2 3.36Å; M29-V33 PolarHBondContact O-N 3.39Å
30	Y	87.8	Confident	77.3	Confident	160 Å²	160	99.8 Å²	99.8	63%	0.627	51%	0.511	S	S	*	.	H	α-helix	trans	-61.5	-44.7	175.8	178.1	-96.2	0	0	0	112	L26 L27 F28 Q32 V33 W34	L26-Y30 VanDerWaalsContact O-CB 3.3Å; L26-Y30 WeakPolarHBondContact O-CB 3.12Å; L26-Y30 PolarHBondContact O-N 3.34Å; L27-Y30 PolarHBondContact O-N 2.89Å; F28-Y30 PolarHBondContact O-N 3Å; Y30-Q32 VanDerWaalsContact C-N 3.32Å; Y30-Q32 PolarHBondContact O-N 2.85Å; Y30-V33 PolarHBondContact O-N 2.85Å; Y30-W34 VanDerWaalsContact O-CB 3.26Å; Y30-W34 WeakPolarHBondContact O-CB 3.31Å; Y30-W34 PolarHBondContact O-N 2.98Å
31	L	80.4	Confident	76.1	Confident	80 Å²	80	94.3 Å²	94.3	42%	0.419	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-37.1	176.7	-75.7	168	0	0	0	112	L27 F28 W34 I35	L27-L31 HydrophobicContact CD1-CD1 4.44Å; L27-L31 HydrophobicContact CG-CD1 4.08Å; L27-L31 WeakPolarHBondContact O-CB 3.07Å; L27-L31 VanDerWaalsContact O-CG 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.23Å; L27-L31 PolarHBondContact O-N 2.87Å; F28-L31 PolarHBondContact O-N 2.75Å; L31-W34 PolarHBondContact O-N 3.35Å; L31-I35 WeakPolarHBondContact O-CB 3.13Å; L31-I35 WeakPolarHBondContact O-CD1 3.24Å; L31-I35 WeakPolarHBondContact O-CG1 3.27Å; L31-I35 PolarHBondContact O-N 3.47Å
32	Q	80.6	Confident	74.4	Confident	93 Å²	93	101.8 Å²	101.8	44%	0.435	51%	0.514	S	S	.	.	H	α-helix	trans	-69.9	-42.9	178.9	-164.3	160.7	-37.8	0	0	111.8	F28 M29 Y30 I35 E36	F28-Q32 WeakPolarHBondContact O-CB 3.34Å; F28-Q32 PolarHBondContact O-N 2.97Å; M29-Q32 PolarHBondContact O-N 2.87Å; Y30-Q32 VanDerWaalsContact C-N 3.32Å; Y30-Q32 PolarHBondContact O-N 2.85Å; Q32-I35 PolarHBondContact O-N 2.94Å; Q32-E36 WeakPolarHBondContact O-CG 3.34Å; Q32-E36 PolarHBondContact O-N 2.92Å
33	V	81.6	Confident	72.7	Confident	75 Å²	75	102.6 Å²	102.6	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-62.3	-43.3	172.1	172.4	0	0	0	0	111	M29 Y30 I35 E36 E37	M29-V33 WeakPolarHBondContact O-CG2 3.36Å; M29-V33 PolarHBondContact O-N 3.39Å; Y30-V33 PolarHBondContact O-N 2.85Å; V33-I35 VanDerWaalsContact C-N 3.35Å; V33-I35 PolarHBondContact O-N 3.29Å; V33-E36 PolarHBondContact O-N 3.44Å; V33-E37 PolarHBondContact O-N 2.97Å
34	W	81.9	Confident	71.1	Confident	122 Å²	122	106.6 Å²	106.6	46%	0.462	53%	0.529	S	S	.	.	H	α-helix	trans	-62.7	-39.8	176.9	-178.3	80.6	0	0	0	112.4	Y30 L31 E37 Q38	Y30-W34 VanDerWaalsContact O-CB 3.26Å; Y30-W34 WeakPolarHBondContact O-CB 3.31Å; Y30-W34 PolarHBondContact O-N 2.98Å; L31-W34 PolarHBondContact O-N 3.35Å; W34-E37 PolarHBondContact O-N 2.91Å; W34-Q38 HydrophobicContact CD2-CG 4.28Å; W34-Q38 HydrophobicContact CE3-CG 4.5Å; W34-Q38 HydrophobicContact CH2-CG 4.3Å; W34-Q38 HydrophobicContact CZ2-CG 4.06Å; W34-Q38 VanDerWaalsContact O-CG 3.3Å; W34-Q38 WeakPolarHBondContact O-CG 3.2Å; W34-Q38 PolarHBondContact O-N 3.43Å
35	I	75.2	Confident	69.3	Low	82 Å²	82	112 Å²	112	42%	0.421	54%	0.541	S	S	.	.	H	α-helix	trans	-63.8	-44.5	174.1	-72.3	165.4	0	0	0	110.3	L31 Q32 V33 Q38 H39	L31-I35 WeakPolarHBondContact O-CB 3.13Å; L31-I35 WeakPolarHBondContact O-CD1 3.24Å; L31-I35 WeakPolarHBondContact O-CG1 3.27Å; L31-I35 PolarHBondContact O-N 3.47Å; Q32-I35 PolarHBondContact O-N 2.94Å; V33-I35 VanDerWaalsContact C-N 3.35Å; V33-I35 PolarHBondContact O-N 3.29Å; I35-Q38 PolarHBondContact O-N 3.46Å; I35-H39 PolarHBondContact O-CD2 3.03Å; I35-H39 PolarHBondContact O-N 3.23Å
36	E	73.6	Confident	67.5	Low	118 Å²	118	109.8 Å²	109.8	55%	0.551	54%	0.535	S	S	*	.	H	α-helix	trans	-64.2	-38.2	177.6	-74.7	179.6	-177.4	0	0	112.6	Q32 V33 H39 T40	Q32-E36 WeakPolarHBondContact O-CG 3.34Å; Q32-E36 PolarHBondContact O-N 2.92Å; V33-E36 PolarHBondContact O-N 3.44Å; E36-H39 PolarHBondContact O-N 3.29Å; E36-T40 PolarHBondContact O-N 3.44Å; E36-T40 PolarHBondContact O-OG1 2.89Å
37	E	72.6	Confident	65.3	Low	122 Å²	122	113.6 Å²	113.6	57%	0.57	54%	0.542	S	S	*	.	H	α-helix	trans	-64.9	-38.6	172.8	-79.4	-174.8	164.2	0	0	112.6	V33 W34 H39 T40 G41	V33-E37 PolarHBondContact O-N 2.97Å; W34-E37 PolarHBondContact O-N 2.91Å; E37-H39 VanDerWaalsContact C-N 3.31Å; E37-H39 PolarHBondContact O-N 3.07Å; E37-T40 VanDerWaalsContact CA-OG1 3.3Å; E37-T40 WeakPolarHBondContact CA-OG1 2.95Å; E37-T40 PolarHBondContact O-OG1 2.92Å; E37-G41 PolarHBondContact O-N 3.33Å
38	Q	64.2	Low	63.2	Low	110 Å²	110	115.2 Å²	115.2	51%	0.514	55%	0.547	S	S	.	.	H	α-helix	trans	-66.8	-33.6	174.1	-70.1	-63.7	-50.9	0	0	112.2	W34 I35 R42	W34-Q38 HydrophobicContact CD2-CG 4.28Å; W34-Q38 HydrophobicContact CE3-CG 4.5Å; W34-Q38 HydrophobicContact CH2-CG 4.3Å; W34-Q38 HydrophobicContact CZ2-CG 4.06Å; W34-Q38 VanDerWaalsContact O-CG 3.3Å; W34-Q38 WeakPolarHBondContact O-CG 3.2Å; W34-Q38 PolarHBondContact O-N 3.43Å; I35-Q38 PolarHBondContact O-N 3.46Å; Q38-R42 WeakPolarHBondContact O-CB 3.33Å; Q38-R42 PolarHBondContact O-N 3.17Å
39	H	53.4	Low	61.1	Low	118 Å²	118	116.4 Å²	116.4	55%	0.546	55%	0.554	S	S	.	*	H	α-helix	trans	-75.7	-39.3	176.9	-81.9	-72.1	0	0	0	112.7	I35 E36 E37 R42 V43	I35-H39 PolarHBondContact O-CD2 3.03Å; I35-H39 PolarHBondContact O-N 3.23Å; E36-H39 PolarHBondContact O-N 3.29Å; E37-H39 VanDerWaalsContact C-N 3.31Å; E37-H39 PolarHBondContact O-N 3.07Å; H39-R42 PolarHBondContact O-N 2.96Å; H39-V43 VanDerWaalsContact O-CG2 3.27Å; H39-V43 WeakPolarHBondContact O-CG2 3.36Å; H39-V43 PolarHBondContact O-N 3.5Å
40	T	52.7	Low	59	Low	85 Å²	85	118.7 Å²	118.7	52%	0.521	56%	0.561	S	S	.	*	H	α-helix	trans	-70.5	-42.4	176.1	38.5	0	0	0	0	112.1	E36 E37 R42 V43 E44	E36-T40 PolarHBondContact O-N 3.44Å; E36-T40 PolarHBondContact O-OG1 2.89Å; E37-T40 VanDerWaalsContact CA-OG1 3.3Å; E37-T40 WeakPolarHBondContact CA-OG1 2.95Å; E37-T40 PolarHBondContact O-OG1 2.92Å; T40-R42 VanDerWaalsContact C-N 3.26Å; T40-R42 PolarHBondContact O-N 3.31Å; T40-V43 PolarHBondContact O-N 2.88Å; T40-V43 VanDerWaalsContact O-N 3.09Å; T40-E44 PolarHBondContact O-N 3.45Å
41	G	47.3	Very low	56.6	Low	38 Å²	38	116.8 Å²	116.8	39%	0.392	57%	0.565	S	S	.	*	H	α-helix	trans	-63.8	-27.2	174.5	0	0	0	0	0	114.1	E37 K45	E37-G41 PolarHBondContact O-N 3.33Å; G41-K45 WeakPolarHBondContact O-CB 3.46Å; G41-K45 PolarHBondContact O-N 2.9Å
42	R	44.9	Very low	54.4	Low	193 Å²	193	118.9 Å²	118.9	73%	0.728	58%	0.582	S	S	*	*	H	α-helix	trans	-77.9	-30.9	173.6	-162.8	178.7	-133.7	177.8	4.9	112.5	Q38 H39 T40 S46	Q38-R42 WeakPolarHBondContact O-CB 3.33Å; Q38-R42 PolarHBondContact O-N 3.17Å; H39-R42 PolarHBondContact O-N 2.96Å; T40-R42 VanDerWaalsContact C-N 3.26Å; T40-R42 PolarHBondContact O-N 3.31Å; R42-S46 WeakPolarHBondContact O-CB 3.41Å; R42-S46 PolarHBondContact O-N 2.95Å
43	V	48	Very low	52.2	Low	97 Å²	97	118.8 Å²	118.8	59%	0.588	59%	0.591	S	S	*	*	H	α-helix	trans	-76.1	-40	176.7	171.5	0	0	0	0	111	H39 T40 S46 R47	H39-V43 VanDerWaalsContact O-CG2 3.27Å; H39-V43 WeakPolarHBondContact O-CG2 3.36Å; H39-V43 PolarHBondContact O-N 3.5Å; T40-V43 PolarHBondContact O-N 2.88Å; T40-V43 VanDerWaalsContact O-N 3.09Å; V43-S46 PolarHBondContact O-N 2.9Å; V43-R47 WeakPolarHBondContact O-CB 3.27Å; V43-R47 PolarHBondContact O-N 3.46Å
44	E	48.3	Very low	49.6	Very low	136 Å²	136	118.5 Å²	118.5	64%	0.636	60%	0.604	S	S	*	*	H	α-helix	trans	-66.5	-43	174.5	-88.4	178.4	155.3	0	0	112.4	T40 S46 R47 E48	T40-E44 PolarHBondContact O-N 3.45Å; E44-S46 VanDerWaalsContact C-N 3.29Å; E44-S46 PolarHBondContact O-N 3.45Å; E44-R47 PolarHBondContact O-N 2.87Å; E44-E48 PolarHBondContact O-N 3.01Å
45	K	45.9	Very low	47.1	Very low	153 Å²	153	125.3 Å²	125.3	67%	0.665	63%	0.63	S	S	*	*	H	α-helix	trans	-61.2	-36.3	173.2	-118.2	174.4	-179.5	171.7	0	113.1	G41 R47 Q49	G41-K45 WeakPolarHBondContact O-CB 3.46Å; G41-K45 PolarHBondContact O-N 2.9Å; K45-R47 VanDerWaalsContact C-N 3.3Å; K45-Q49 WeakPolarHBondContact O-CB 3.38Å; K45-Q49 PolarHBondContact O-N 3.46Å
46	S	42.6	Very low	44.7	Very low	64 Å²	64	124.4 Å²	124.4	45%	0.448	64%	0.641	S	S	.	*	H	α-helix	trans	-73.3	-21.3	174.9	-178.1	0	0	0	0	113	R42 V43 E44	R42-S46 WeakPolarHBondContact O-CB 3.41Å; R42-S46 PolarHBondContact O-N 2.95Å; V43-S46 PolarHBondContact O-N 2.9Å; E44-S46 VanDerWaalsContact C-N 3.29Å; E44-S46 PolarHBondContact O-N 3.45Å
47	R	39.3	Very low	42.7	Very low	190 Å²	190	125.1 Å²	125.1	72%	0.717	66%	0.655	S	S	*	*	H	α-helix	trans	-87.7	-40.2	179	-152.1	174.3	-175.4	175.9	0.1	110.9	V43 E44 K45 K50 V51	V43-R47 WeakPolarHBondContact O-CB 3.27Å; V43-R47 PolarHBondContact O-N 3.46Å; E44-R47 PolarHBondContact O-N 2.87Å; K45-R47 VanDerWaalsContact C-N 3.3Å; R47-K50 PolarHBondContact O-N 2.96Å; R47-V51 VanDerWaalsContact O-CG2 3.31Å; R47-V51 WeakPolarHBondContact O-CG2 3.3Å; R47-V51 PolarHBondContact O-N 3.28Å
48	E	40.5	Very low	40.5	Very low	140 Å²	140	126.4 Å²	126.4	65%	0.654	66%	0.663	S	S	*	*	H	α-helix	trans	-64.7	-41.4	172.4	-78.6	-175.4	146.3	0	0	112.4	E44 K50 V51 T52	E44-E48 PolarHBondContact O-N 3.01Å; E48-K50 PolarHBondContact O-N 3.46Å; E48-V51 PolarHBondContact O-N 2.89Å; E48-T52 PolarHBondContact O-N 3.22Å
49	Q	38.6	Very low	38.8	Very low	152 Å²	152	129.9 Å²	129.9	71%	0.71	68%	0.677	S	S	*	*	H	α-helix	trans	-64.6	-21.8	173.8	-89	-176.9	-37.2	0	0	113.8	K45	K45-Q49 WeakPolarHBondContact O-CB 3.38Å; K45-Q49 PolarHBondContact O-N 3.46Å
50	K	39	Very low	37.6	Very low	165 Å²	165	133.4 Å²	133.4	72%	0.717	69%	0.686	S	S	*	*	H	α-helix	trans	-88.4	-16.7	176.6	-94.9	-178.5	174.4	179.3	0	113.9	R47 E48	R47-K50 PolarHBondContact O-N 2.96Å; E48-K50 PolarHBondContact O-N 3.46Å
51	V	37.1	Very low	36.5	Very low	119 Å²	119	136.7 Å²	136.7	72%	0.721	70%	0.7	S	S	*	*	H	α-helix	trans	-92.2	-21.1	-177.6	172.6	0	0	0	0	112.1	R47 E48	R47-V51 VanDerWaalsContact O-CG2 3.31Å; R47-V51 WeakPolarHBondContact O-CG2 3.3Å; R47-V51 PolarHBondContact O-N 3.28Å; E48-V51 PolarHBondContact O-N 2.89Å
52	T	35.7	Very low	35.7	Very low	125 Å²	125	142.9 Å²	142.9	77%	0.767	72%	0.719	S	S	*	*	S	Bend	trans	-95.2	9	-179.8	57.9	0	0	0	0	115.6	E48	E48-T52 PolarHBondContact O-N 3.22Å
53	S	33.5	Very low	34.7	Very low	90 Å²	90	139.4 Å²	139.4	63%	0.629	72%	0.721	S	S	*	*			trans	-130.7	80.4	176	53.4	0	0	0	0	112.3
54	G	27.7	Very low	33.7	Very low	70 Å²	70	140 Å²	140	72%	0.722	73%	0.725	S	S	*	*			trans	-81.9	113.6	176.1	0	0	0	0	0	114.1
55	W	28.4	Very low	32.6	Very low	265 Å²	265	139.1 Å²	139.1	100%	1.004	73%	0.731	S	S	*	*			trans	68.4	112.1	143.1	-74.6	58	0	0	0	122.6
56	G	25.6	Very low	31.6	Very low	63 Å²	63	143.3 Å²	143.3	65%	0.649	74%	0.742	S	S	*	*			trans	-176.6	140.3	154.3	0	0	0	0	0	109.7	M58	G56-M58 PolarHBondContact O-N 3.07Å
57	P	31.6	Very low	31.2	Very low	133 Å²	133	146.8 Å²	146.8	86%	0.864	76%	0.755	S	S	*	*			trans	-73.5	104.8	-165.4	29.5	-32.4	0	0	0	111.1	K59	P57-K59 PolarHBondContact O-N 3.32Å; P57-K59 VanDerWaalsContact O-N 3.12Å
58	M	25.8	Very low	30.6	Very low	148 Å²	148	143.9 Å²	143.9	73%	0.729	75%	0.751	S	S	*	*			trans	-82.3	94.6	177.8	-153.3	160.5	-175.2	0	0	109.6	G56 Y60	G56-M58 PolarHBondContact O-N 3.07Å; M58-Y60 HydrophobicContact CB-CE2 4.43Å; M58-Y60 HydrophobicContact CG-CD2 4.47Å; M58-Y60 HydrophobicContact CG-CE2 4.08Å; M58-Y60 PolarHBondContact O-N 3.43Å; M58-Y60 HydrophobicContact SD-CE2 4.24Å
59	K	29.6	Very low	30	Very low	184 Å²	184	140.3 Å²	140.3	80%	0.8	74%	0.741	S	S	*	*			trans	-57.2	99.9	166	-71.8	178.7	178	177.4	0	109.2	P57 L61	P57-K59 PolarHBondContact O-N 3.32Å; P57-K59 VanDerWaalsContact O-N 3.12Å; K59-L61 PolarHBondContact O-N 2.79Å; K59-L61 VanDerWaalsContact O-N 3.13Å
60	Y	26.4	Very low	29.8	Very low	191 Å²	191	138.5 Å²	138.5	75%	0.749	74%	0.741	S	S	*	*			trans	-81.9	75.2	157.7	-79.5	-85	0	0	0	108.8	M58	M58-Y60 HydrophobicContact CB-CE2 4.43Å; M58-Y60 HydrophobicContact CG-CD2 4.47Å; M58-Y60 HydrophobicContact CG-CE2 4.08Å; M58-Y60 PolarHBondContact O-N 3.43Å; M58-Y60 HydrophobicContact SD-CE2 4.24Å
61	L	30.9	Very low	29.5	Very low	154 Å²	154	138.3 Å²	138.3	81%	0.806	74%	0.742	S	S	*	*			trans	-88.8	99.3	151.9	-88.3	156.7	0	0	0	106	K59	K59-L61 PolarHBondContact O-N 2.79Å; K59-L61 VanDerWaalsContact O-N 3.13Å
62	Q	29.3	Very low	29.2	Very low	169 Å²	169	139.3 Å²	139.3	79%	0.79	74%	0.737	S	S	*	*			trans	-111.3	146.9	154.5	-84.4	-154.4	-28.9	0	0	109.4	V64	Q62-V64 PolarHBondContact O-N 2.99Å
63	P	24.3	Very low	29.3	Very low	120 Å²	120	137.9 Å²	137.9	78%	0.779	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-76.6	128.4	-156.3	-2.1	18.8	0	0	0	110.2
64	V	27.4	Very low	29.2	Very low	109 Å²	109	139.9 Å²	139.9	66%	0.661	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-50.3	135.6	152.9	-177	0	0	0	0	107.3	Q62 R66	Q62-V64 PolarHBondContact O-N 2.99Å; V64-R66 PolarHBondContact O-N 2.9Å
65	P	26.5	Very low	29.4	Very low	117 Å²	117	143.9 Å²	143.9	76%	0.76	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-52.5	119.5	169.7	-19.9	30.1	0	0	0	107.5	I67	P65-I67 PolarHBondContact O-N 3.46Å
66	R	24.2	Very low	29.7	Very low	241 Å²	241	139 Å²	139	91%	0.909	71%	0.711	S	S	*	*			trans	-47.5	110.1	-174.5	-166.6	-176.5	-102.6	-164.6	-6	108.6	V64 M68	V64-R66 PolarHBondContact O-N 2.9Å; R66-M68 PolarHBondContact O-N 3.34Å; R66-M68 VanDerWaalsContact O-N 3.17Å
67	I	33.6	Very low	30.2	Very low	138 Å²	138	141.7 Å²	141.7	71%	0.708	71%	0.709	S	S	*	*			trans	-44.1	122.2	165	-65.8	166.1	0	0	0	105.8	P65 S69	P65-I67 PolarHBondContact O-N 3.46Å; I67-S69 PolarHBondContact O-N 3.49Å
68	M	26.9	Very low	30.1	Very low	129 Å²	129	140.8 Å²	140.8	64%	0.635	70%	0.701	S	S	*	*			trans	-55	114.1	168	-81.7	-170.9	63.7	0	0	106.5	R66 T70 K72	R66-M68 PolarHBondContact O-N 3.34Å; R66-M68 VanDerWaalsContact O-N 3.17Å; M68-T70 PolarHBondContact O-N 3.04Å; M68-K72 HydrophobicContact CE-CB 3.87Å; M68-K72 HydrophobicContact CE-CD 3.7Å; M68-K72 HydrophobicContact CE-CG 4.43Å
69	S	28	Very low	30.4	Very low	64 Å²	64	140.4 Å²	140.4	45%	0.448	70%	0.702	S	S	.	*			trans	-56.7	142.2	179	49	0	0	0	0	109.3	I67 E71 K72	I67-S69 PolarHBondContact O-N 3.49Å; S69-E71 PolarHBondContact O-N 3.03Å; S69-K72 PolarHBondContact O-N 3.24Å; S69-K72 VanDerWaalsContact O-N 3.12Å
70	T	34.4	Very low	30.6	Very low	115 Å²	115	140.2 Å²	140.2	71%	0.706	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	-6.4	177	8.4	0	0	0	0	114.4	M68 I73	M68-T70 PolarHBondContact O-N 3.04Å; T70-I73 HydrophobicContact CG2-CD1 4.03Å
71	E	32.8	Very low	30.5	Very low	161 Å²	161	138.6 Å²	138.6	75%	0.752	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-25.6	175.4	-70.6	173.4	152.8	0	0	113.6	S69 I73	S69-E71 PolarHBondContact O-N 3.03Å; E71-I73 VanDerWaalsContact C-N 3.32Å
72	K	31.3	Very low	30.4	Very low	139 Å²	139	136.7 Å²	136.7	60%	0.604	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-7.1	172.6	-81.1	-173.4	174.8	-174.6	0	114.1	M68 S69	M68-K72 HydrophobicContact CE-CB 3.87Å; M68-K72 HydrophobicContact CE-CD 3.7Å; M68-K72 HydrophobicContact CE-CG 4.43Å; S69-K72 PolarHBondContact O-N 3.24Å; S69-K72 VanDerWaalsContact O-N 3.12Å
73	I	37.2	Very low	30.1	Very low	95 Å²	95	138 Å²	138	49%	0.487	71%	0.708	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.1	-26.4	176.5	-63	179.4	0	0	0	110.5	T70 E71 I77	T70-I73 HydrophobicContact CG2-CD1 4.03Å; E71-I73 VanDerWaalsContact C-N 3.32Å; I73-I77 HydrophobicContact CG2-CD1 4.22Å
74	Q	31.6	Very low	30.1	Very low	133 Å²	133	141.5 Å²	141.5	62%	0.621	71%	0.712	S	S	*	*	H	α-helix	trans	-76.5	-25.7	-178.7	-152.3	70.1	9.9	0	0	113.5	H76 T78	Q74-H76 VanDerWaalsContact C-N 3.32Å; Q74-H76 PolarHBondContact O-N 3.33Å; Q74-T78 PolarHBondContact O-OG1 2.97Å
75	E	31.2	Very low	29.8	Very low	153 Å²	153	144.3 Å²	144.3	72%	0.715	72%	0.717	S	S	*	*	H	α-helix	trans	-75.6	-18	178.7	-108	-178.6	167.9	0	0	113.8
76	H	35.5	Very low	29.5	Very low	164 Å²	164	146.8 Å²	146.8	76%	0.759	72%	0.721	S	S	*	*	H	α-helix	trans	-97.8	-14.1	179.9	-111.5	-5.7	0	0	0	114.8	Q74	Q74-H76 VanDerWaalsContact C-N 3.32Å; Q74-H76 PolarHBondContact O-N 3.33Å
77	I	34.8	Very low	29.9	Very low	118 Å²	118	140.2 Å²	140.2	61%	0.605	71%	0.71	S	S	*	*	H	α-helix	trans	-79.5	-21.9	177.1	-66.1	172.6	0	0	0	111.5	I73 N79	I73-I77 HydrophobicContact CG2-CD1 4.22Å; I77-N79 PolarHBondContact O-N 2.86Å
78	T	30.3	Very low	29.4	Very low	115 Å²	115	142.6 Å²	142.6	71%	0.706	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-4.6	-175.8	-22.1	0	0	0	0	114.9	Q74	Q74-T78 PolarHBondContact O-OG1 2.97Å
79	N	33.2	Very low	29.1	Very low	140 Å²	140	143.4 Å²	143.4	75%	0.749	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.7	17.1	-172.8	-95.7	-15.6	0	0	0	116	I77	I77-N79 PolarHBondContact O-N 2.86Å
80	Q	32.4	Very low	28.9	Very low	180 Å²	180	145.8 Å²	145.8	84%	0.841	74%	0.736	S	S	*	*			trans	-135	79.7	168.8	-68.4	-169.6	0.4	0	0	111.1
81	N	24.7	Very low	28.4	Very low	156 Å²	156	150.7 Å²	150.7	83%	0.834	74%	0.742	S	S	*	*			trans	-110.2	120.6	157.4	-118.1	-9.2	0	0	0	108	K83	N81-K83 PolarHBondContact O-N 3.21Å
82	P	28	Very low	28	Very low	115 Å²	115	149.8 Å²	149.8	75%	0.747	74%	0.737	S	S	*	*			trans	-81.5	106.7	177.6	30.3	-28.7	0	0	0	109.5	F84	P82-F84 PolarHBondContact O-N 3.44Å
83	K	24.6	Very low	27.5	Very low	195 Å²	195	151.4 Å²	151.4	85%	0.848	75%	0.745	S	S	*	*			trans	-79.4	107	165.4	-81.5	-173.4	177.6	-178.4	0	109.4	N81	N81-K83 PolarHBondContact O-N 3.21Å
84	F	23.6	Very low	26.9	Very low	195 Å²	195	156.7 Å²	156.7	86%	0.855	76%	0.764	S	S	*	*			trans	-54.9	135	154.7	-100.6	-101.4	0	0	0	109.8	P82	P82-F84 PolarHBondContact O-N 3.44Å
85	H	22	Very low	26.6	Very low	168 Å²	168	157.9 Å²	157.9	78%	0.778	77%	0.77	S	S	*	*			trans	-158.5	134.8	152.1	-92.5	-61.2	0	0	0	112.4
86	M	20.2	Very low	26.2	Very low	168 Å²	168	156.9 Å²	156.9	83%	0.828	77%	0.769	S	S	*	*			trans	-144.6	157.4	156.5	-87.7	-80.8	93	0	0	105.8
87	P	32	Very low	25.6	Very low	104 Å²	104	157 Å²	157	68%	0.675	78%	0.775	S	S	*	*				-125.8	164.7	-79.1	28.5	-8.4	0	0	0	112.6
88	E	22.1	Very low	25.1	Very low	187 Å²	187	158 Å²	158	87%	0.874	78%	0.78	S	S	*	*			trans	178	127.4	133.5	-103	-172.7	-178.6	0	0	112.5
89	D	22.1	Very low	24.8	Very low	146 Å²	146	159 Å²	159	78%	0.781	78%	0.781	S	S	*	*			trans	47.9	152.4	134.9	-135.5	-2.2	0	0	0	125
90	V	23.9	Very low	24.3	Very low	114 Å²	114	159.6 Å²	159.6	69%	0.691	78%	0.784	S	S	*	*			trans	104.2	93	159.3	-166.1	0	0	0	0	118.5
91	R	22.6	Very low	23.9	Very low	219 Å²	219	157 Å²	157	83%	0.826	79%	0.785	S	S	*	*				56.9	131.2	127	-70.4	-177.6	173.5	-177.9	-1.7	123.1
92	E	24	Very low	23.9	Very low	141 Å²	141	158.5 Å²	158.5	66%	0.659	79%	0.787	S	S	*	*			trans	94.3	113.6	131	-86.2	-168.7	136.5	0	0	121.7
93	K	22.3	Very low	23.7	Very low	174 Å²	174	165.2 Å²	165.2	76%	0.757	80%	0.798	S	S	*	*				43.9	120.2	127.2	-71.9	175	-178.7	156.6	0	118
94	K	23.6	Very low	23.5	Very low	205 Å²	205	160.5 Å²	160.5	89%	0.891	79%	0.79	S	S	*	*				-169.3	151.8	92.9	-120.7	177.1	177.4	177.9	0	113.3
95	E	24.9	Very low	23.6	Very low	159 Å²	159	157 Å²	157	74%	0.743	78%	0.784	S	S	*	*			trans	-70.5	157	-173.8	-73.6	167.6	140.5	0	0	116.6
96	N	22.8	Very low	23.7	Very low	131 Å²	131	159.8 Å²	159.8	70%	0.701	79%	0.788	S	S	*	*			trans	53.4	130.4	132.3	-60	-22.3	0	0	0	121.2
97	L	23.8	Very low	23.9	Very low	168 Å²	168	157.7 Å²	157.7	88%	0.88	78%	0.784	S	S	*	*				-163.1	96.2	125	-101.7	154	0	0	0	111.7
98	L	23.2	Very low	23.5	Very low	138 Å²	138	160.9 Å²	160.9	72%	0.723	80%	0.795	S	S	*	*			trans	13.5	133	130.3	-74.7	167	0	0	0	121.2
99	L	24.9	Very low	23.5	Very low	136 Å²	136	157.5 Å²	157.5	71%	0.712	79%	0.787	S	S	*	*				130.7	111.2	112.5	-92.8	155.9	0	0	0	117.5
100	N	23.1	Very low	23.6	Very low	153 Å²	153	160.6 Å²	160.6	82%	0.818	79%	0.793	S	S	*	*			trans	34.4	134.7	134.5	-65.4	-2.5	0	0	0	122.8
101	S	23.7	Very low	23.5	Very low	125 Å²	125	161.1 Å²	161.1	87%	0.874	80%	0.797	S	S	*	*				-160.7	125.3	121.8	-165.2	0	0	0	0	112
102	E	23.9	Very low	23.5	Very low	187 Å²	187	155.1 Å²	155.1	87%	0.874	79%	0.788	S	S	*	*			trans	-85.3	147.1	167.8	-65.5	177.8	140.6	0	0	111
103	R	23.7	Very low	23.4	Very low	257 Å²	257	158.9 Å²	158.9	97%	0.97	80%	0.798	S	S	*	*			trans	-163.6	135.4	131.8	-132.6	174	-179.9	175.1	0.1	114.2
104	S	21.3	Very low	23.6	Very low	96 Å²	96	155.6 Å²	155.6	67%	0.671	80%	0.797	S	S	*	*			trans	-85.1	151.4	173.5	167.9	0	0	0	0	112.3
105	T	24.7	Very low	23.8	Very low	120 Å²	120	155.2 Å²	155.2	74%	0.736	80%	0.798	S	S	*	*				177.8	135.6	116.3	22.9	0	0	0	0	116.7
106	R	24.8	Very low	23.6	Very low	227 Å²	227	151.4 Å²	151.4	86%	0.857	80%	0.802	S	S	*	*			trans	71.3	106	136.1	-75.5	178	179.3	-178.3	-0	124.2
107	V	23.9	Very low	23.6	Very low	124 Å²	124	148.4 Å²	148.4	75%	0.752	80%	0.802	S	S	*	*				10.9	134.2	117.6	-174.3	0	0	0	0	120.1
108	L	24.1	Very low	23.7	Very low	172 Å²	172	148.7 Å²	148.7	90%	0.901	80%	0.804	S	S	*	*			trans	-152.2	123	145	-114.2	151.7	0	0	0	111.8
109	T	22.5	Very low	23.7	Very low	116 Å²	116	151.4 Å²	151.4	71%	0.712	81%	0.813	S	S	*	*			trans	-88.8	151.2	171.2	7.7	0	0	0	0	111
110	K	23.7	Very low	23.7	Very low	210 Å²	210	150 Å²	150	91%	0.913	82%	0.821	S	S	*	*			trans	-156.1	144.3	150	-115.7	178.5	-175.6	-179.1	0	112.4
111	T	21.5	Very low	23.6	Very low	125 Å²	125	150.3 Å²	150.3	77%	0.767	82%	0.822	S	S	*	*			trans	-118	167.5	-165.3	-23.3	0	0	0	0	111.2
112	S	23.3	Very low	23.7	Very low	93 Å²	93	150 Å²	150	65%	0.65	82%	0.82	S	S	*	*			trans	78.3	140.4	158	71.8	0	0	0	0	116.5
113	Y	22.8	Very low	23.7	Very low	221 Å²	221	150.4 Å²	150.4	87%	0.867	82%	0.819	S	S	*	*			cis	-158.3	167.2	47.4	-114.1	-91.3	0	0	0	114.8
114	S	25.7	Very low	23.9	Very low	104 Å²	104	143.8 Å²	143.8	73%	0.727	81%	0.812	S	S	*	*			trans	-99.8	151.1	174	151.1	0	0	0	0	111.6
115	Q	27.1	Very low	24.2	Very low	197 Å²	197	146.1 Å²	146.1	92%	0.921	82%	0.822	S	S	*	*			trans	-156	141.2	152.1	-113.8	177.6	-8.3	0	0	110.5
116	G	21.7	Very low	24.3	Very low	79 Å²	79	143.5 Å²	143.5	81%	0.814	82%	0.819	S	S	*	*			trans	-121.2	-175.9	-179.3	0	0	0	0	0	114
117	G	22.5	Very low	24.6	Very low	68 Å²	68	135.5 Å²	135.5	70%	0.701	80%	0.798	S	S	*	*			trans	117.5	106.5	163.1	0	0	0	0	0	115
118	D	24.9	Very low	25	Very low	174 Å²	174	134.4 Å²	134.4	93%	0.93	79%	0.793	S	S	*	*				177	136.1	110.3	-89.8	-15.3	0	0	0	113.1
119	Q	23.8	Very low	25.5	Very low	196 Å²	196	131.1 Å²	131.1	92%	0.916	78%	0.78	S	S	*	*			trans	-91.7	139.2	172.8	-80.9	177.8	-14.3	0	0	110.2
120	A	24.2	Very low	26	Very low	106 Å²	106	131.4 Å²	131.4	88%	0.876	77%	0.774	S	S	*	*			trans	-136.1	126.8	155.2	0	0	0	0	0	110.4
121	L	22.6	Very low	26.3	Very low	160 Å²	160	128.1 Å²	128.1	84%	0.838	76%	0.76	S	S	*	*			trans	-81.4	128.3	-175.6	-170.1	81.2	0	0	0	110.3
122	S	24.4	Very low	26.5	Very low	118 Å²	118	130.9 Å²	130.9	83%	0.825	76%	0.756	S	S	*	*			trans	-139.7	119.7	152.2	63.6	0	0	0	0	110.1
123	K	25.3	Very low	26.7	Very low	196 Å²	196	135.5 Å²	135.5	85%	0.852	76%	0.759	S	S	*	*			trans	-80.9	127.7	171.1	-79.3	175	173.9	174.7	0	107.9
124	S	26.3	Very low	27.4	Very low	117 Å²	117	129.4 Å²	129.4	82%	0.818	74%	0.74	S	S	*	*			trans	-133	123	157.7	-178.9	0	0	0	0	109.1
125	T	29.3	Very low	27.8	Very low	146 Å²	146	129.5 Å²	129.5	90%	0.896	73%	0.73	S	S	*	*			trans	-69.6	120.6	178	35.7	0	0	0	0	110.9
126	G	26.8	Very low	28.2	Very low	65 Å²	65	128 Å²	128	67%	0.67	72%	0.72	S	S	*	*			trans	-134.5	134	173.7	0	0	0	0	0	111.5
127	S	29.9	Very low	28.7	Very low	58 Å²	58	130.1 Å²	130.1	41%	0.406	71%	0.708	S	S	.	*			trans	-56	146.1	-176	174.7	0	0	0	0	113.5	T129 E130	S127-T129 PolarHBondContact O-N 3.15Å; S127-T129 VanDerWaalsContact O-N 3.08Å; S127-T129 PolarHBondContact OG-OG1 3.04Å; S127-T129 VanDerWaalsContact OG-OG1 3.14Å; S127-E130 PolarHBondContact O-N 3.28Å
128	P	33.5	Very low	29.3	Very low	101 Å²	101	132.4 Å²	132.4	66%	0.656	70%	0.701	S	S	*	*	H	α-helix	trans	-56.1	-28.4	-179	-24.2	33.3	0	0	0	114.1	W132	P128-W132 VanDerWaalsContact O-CD1 3.28Å
129	T	33.8	Very low	29.7	Very low	103 Å²	103	125.9 Å²	125.9	63%	0.632	68%	0.675	S	S	*	*	H	α-helix	trans	-76.7	-23.4	-175.6	36.9	0	0	0	0	114.7	S127	S127-T129 PolarHBondContact O-N 3.15Å; S127-T129 VanDerWaalsContact O-N 3.08Å; S127-T129 PolarHBondContact OG-OG1 3.04Å; S127-T129 VanDerWaalsContact OG-OG1 3.14Å
130	E	32.8	Very low	30.3	Very low	123 Å²	123	119 Å²	119	58%	0.575	65%	0.651	S	S	*	*	H	α-helix	trans	-82.5	-32.9	175	-92.8	160.1	151	0	0	112.5	S127 W132 R133 I134	S127-E130 PolarHBondContact O-N 3.28Å; E130-W132 PolarHBondContact O-N 3.23Å; E130-R133 PolarHBondContact O-N 2.6Å; E130-I134 WeakPolarHBondContact O-CB 3.37Å; E130-I134 VanDerWaalsContact O-CG1 3.25Å; E130-I134 WeakPolarHBondContact O-CG1 3.39Å; E130-I134 PolarHBondContact O-N 2.79Å
131	K	30.3	Very low	30.7	Very low	141 Å²	141	120.5 Å²	120.5	61%	0.613	64%	0.638	S	S	*	*	H	α-helix	trans	-62.4	-41.5	177.4	-136.8	178.1	-176.4	-176.3	0	112	I134 E135	K131-I134 PolarHBondContact O-N 2.84Å; K131-E135 WeakPolarHBondContact O-CB 3.43Å; K131-E135 WeakPolarHBondContact O-CG 3.41Å; K131-E135 PolarHBondContact O-N 3.07Å
132	W	26.1	Very low	31.2	Very low	182 Å²	182	117.2 Å²	117.2	69%	0.689	63%	0.625	S	S	*	*	H	α-helix	trans	-67.6	-34.2	175.8	-82.5	92.1	0	0	0	113.8	P128 E130 K136	P128-W132 VanDerWaalsContact O-CD1 3.28Å; E130-W132 PolarHBondContact O-N 3.23Å; W132-K136 PolarHBondContact O-N 3.21Å; W132-K136 VanDerWaalsContact O-N 3.16Å
133	R	27.9	Very low	31.9	Very low	190 Å²	190	115 Å²	115	72%	0.717	61%	0.606	S	S	*	*	H	α-helix	trans	-72.6	-39.5	175	-96.7	-177.2	175	174.6	-0.5	111.7	E130 H137	E130-R133 PolarHBondContact O-N 2.6Å; R133-H137 WeakPolarHBondContact O-CB 3.26Å; R133-H137 PolarHBondContact O-CD2 2.76Å; R133-H137 PolarHBondContact O-N 2.93Å
134	I	35.9	Very low	32.4	Very low	93 Å²	93	113 Å²	113	48%	0.477	60%	0.598	S	S	.	*	H	α-helix	trans	-68.9	-40.8	177.5	-67.1	167.3	0	0	0	110.5	E130 K131 H137 Q138	E130-I134 WeakPolarHBondContact O-CB 3.37Å; E130-I134 VanDerWaalsContact O-CG1 3.25Å; E130-I134 WeakPolarHBondContact O-CG1 3.39Å; E130-I134 PolarHBondContact O-N 2.79Å; K131-I134 PolarHBondContact O-N 2.84Å; I134-H137 PolarHBondContact O-N 3.22Å; I134-Q138 VanDerWaalsContact O-CB 3.3Å; I134-Q138 WeakPolarHBondContact O-CB 3.36Å; I134-Q138 PolarHBondContact O-N 2.91Å
135	E	34.2	Very low	32.8	Very low	107 Å²	107	112.9 Å²	112.9	50%	0.5	59%	0.588	S	S	.	*	H	α-helix	trans	-66.5	-37.4	175.6	-77.5	174.6	-176	0	0	113.1	K131 G139	K131-E135 WeakPolarHBondContact O-CB 3.43Å; K131-E135 WeakPolarHBondContact O-CG 3.41Å; K131-E135 PolarHBondContact O-N 3.07Å; E135-G139 PolarHBondContact O-N 2.83Å
136	K	35.8	Very low	33.1	Very low	164 Å²	164	113.5 Å²	113.5	71%	0.713	58%	0.578	S	S	*	*	H	α-helix	trans	-68.4	-40.2	171.7	-89.1	-172.2	175.3	179.9	0	112.6	W132 A140	W132-K136 PolarHBondContact O-N 3.21Å; W132-K136 VanDerWaalsContact O-N 3.16Å; K136-A140 VanDerWaalsContact O-CB 3.3Å; K136-A140 WeakPolarHBondContact O-CB 3.16Å; K136-A140 PolarHBondContact O-N 3.42Å
137	H	33.2	Very low	33.8	Very low	124 Å²	124	114.1 Å²	114.1	57%	0.574	56%	0.562	S	S	*	*	H	α-helix	trans	-72.8	-33.9	177.3	-87.6	-66.1	0	0	0	113	R133 I134 K141	R133-H137 WeakPolarHBondContact O-CB 3.26Å; R133-H137 PolarHBondContact O-CD2 2.76Å; R133-H137 PolarHBondContact O-N 2.93Å; I134-H137 PolarHBondContact O-N 3.22Å; H137-K141 WeakPolarHBondContact O-CB 3.04Å; H137-K141 VanDerWaalsContact O-CG 3.27Å; H137-K141 WeakPolarHBondContact O-CG 3.37Å; H137-K141 PolarHBondContact O-N 3.31Å
138	Q	34.6	Very low	34.3	Very low	116 Å²	116	114.3 Å²	114.3	54%	0.542	56%	0.564	S	S	.	*	H	α-helix	trans	-72.3	-39.8	170.3	-89	167.2	-30.4	0	0	110.9	I134 A140 K141 T142	I134-Q138 VanDerWaalsContact O-CB 3.3Å; I134-Q138 WeakPolarHBondContact O-CB 3.36Å; I134-Q138 PolarHBondContact O-N 2.91Å; Q138-A140 VanDerWaalsContact C-N 3.34Å; Q138-A140 PolarHBondContact O-N 3.29Å; Q138-K141 PolarHBondContact O-N 3.28Å; Q138-T142 WeakPolarHBondContact O-CA 3.3Å; Q138-T142 WeakPolarHBondContact O-CB 3.41Å; Q138-T142 PolarHBondContact O-N 3.47Å; Q138-T142 PolarHBondContact O-OG1 3.28Å
139	G	32.7	Very low	34.5	Very low	38 Å²	38	115.5 Å²	115.5	39%	0.392	57%	0.565	S	S	.	*	H	α-helix	trans	-57.9	-45	171.1	0	0	0	0	0	112.2	E135 V143	E135-G139 PolarHBondContact O-N 2.83Å; G139-V143 VanDerWaalsContact O-CB 3.23Å; G139-V143 WeakPolarHBondContact O-CB 3.37Å; G139-V143 WeakPolarHBondContact O-CG2 3.35Å; G139-V143 PolarHBondContact O-N 3.11Å
140	A	36.3	Very low	34.9	Very low	50 Å²	50	113.6 Å²	113.6	41%	0.413	55%	0.55	S	S	.	.	H	α-helix	trans	-71	-39	177.2	0	0	0	0	0	113.4	K136 Q138 F144	K136-A140 VanDerWaalsContact O-CB 3.3Å; K136-A140 WeakPolarHBondContact O-CB 3.16Å; K136-A140 PolarHBondContact O-N 3.42Å; Q138-A140 VanDerWaalsContact C-N 3.34Å; Q138-A140 PolarHBondContact O-N 3.29Å; A140-F144 WeakPolarHBondContact O-CB 3.36Å; A140-F144 PolarHBondContact O-N 3.15Å
141	K	33.3	Very low	35.7	Very low	139 Å²	139	115.7 Å²	115.7	60%	0.604	56%	0.559	S	S	*	*	H	α-helix	trans	-72.5	-35.6	175.9	-79.4	178.8	176.1	-179.4	0	112.7	H137 Q138 F144 N145	H137-K141 WeakPolarHBondContact O-CB 3.04Å; H137-K141 VanDerWaalsContact O-CG 3.27Å; H137-K141 WeakPolarHBondContact O-CG 3.37Å; H137-K141 PolarHBondContact O-N 3.31Å; Q138-K141 PolarHBondContact O-N 3.28Å; K141-F144 PolarHBondContact O-N 3.24Å; K141-N145 VanDerWaalsContact O-CB 3.26Å; K141-N145 WeakPolarHBondContact O-CB 3.43Å; K141-N145 PolarHBondContact O-N 2.93Å
142	T	33.1	Very low	36.7	Very low	91 Å²	91	113.3 Å²	113.3	56%	0.558	55%	0.546	S	S	*	.	H	α-helix	trans	-72.4	-35.6	175.5	-57.2	0	0	0	0	110.6	Q138 K146	Q138-T142 WeakPolarHBondContact O-CA 3.3Å; Q138-T142 WeakPolarHBondContact O-CB 3.41Å; Q138-T142 PolarHBondContact O-N 3.47Å; Q138-T142 PolarHBondContact O-OG1 3.28Å; T142-K146 WeakPolarHBondContact O-CB 3.46Å; T142-K146 PolarHBondContact O-N 3.09Å
143	V	38.2	Very low	37.6	Very low	72 Å²	72	107.6 Å²	107.6	44%	0.436	53%	0.532	S	S	.	.	H	α-helix	trans	-59.4	-59	165.5	161.5	0	0	0	0	109	G139 N145 K146 F147	G139-V143 VanDerWaalsContact O-CB 3.23Å; G139-V143 WeakPolarHBondContact O-CB 3.37Å; G139-V143 WeakPolarHBondContact O-CG2 3.35Å; G139-V143 PolarHBondContact O-N 3.11Å; V143-N145 PolarHBondContact O-N 2.93Å; V143-K146 PolarHBondContact O-N 3.25Å; V143-F147 HydrophobicContact CB-CD2 4.47Å; V143-F147 HydrophobicContact CB-CE2 4.42Å; V143-F147 HydrophobicContact CG1-CD2 3.7Å; V143-F147 HydrophobicContact CG1-CE2 3.66Å; V143-F147 WeakPolarHBondContact O-CD2 3.42Å; V143-F147 PolarHBondContact O-N 3.33Å
144	F	36.3	Very low	38.7	Very low	154 Å²	154	103.8 Å²	103.8	68%	0.675	53%	0.53	S	S	*	.	H	α-helix	trans	-55.5	-44.4	-179.1	-107.1	-93.9	0	0	0	114.1	A140 K141 F147 S148	A140-F144 WeakPolarHBondContact O-CB 3.36Å; A140-F144 PolarHBondContact O-N 3.15Å; K141-F144 PolarHBondContact O-N 3.24Å; F144-F147 PolarHBondContact O-N 3.31Å; F144-S148 PolarHBondContact O-N 3.37Å
145	N	34.4	Very low	39.5	Very low	113 Å²	113	105 Å²	105	60%	0.604	54%	0.537	S	S	*	.	H	α-helix	trans	-71.9	-26.3	178.6	-80.9	-4.5	0	0	0	113.2	K141 V143 F147 S148	K141-N145 VanDerWaalsContact O-CB 3.26Å; K141-N145 WeakPolarHBondContact O-CB 3.43Å; K141-N145 PolarHBondContact O-N 2.93Å; V143-N145 PolarHBondContact O-N 2.93Å; N145-F147 VanDerWaalsContact C-N 3.34Å; N145-S148 PolarHBondContact O-OG 3Å
146	K	35.3	Very low	40.6	Very low	160 Å²	160	103.6 Å²	103.6	70%	0.696	53%	0.533	S	S	*	.	H	α-helix	trans	-75.5	-26.7	172.4	-161.1	173.8	-172	-179.4	0	111.4	T142 V143	T142-K146 WeakPolarHBondContact O-CB 3.46Å; T142-K146 PolarHBondContact O-N 3.09Å; V143-K146 PolarHBondContact O-N 3.25Å
147	F	43.2	Very low	41.9	Very low	77 Å²	77	100 Å²	100	34%	0.338	52%	0.518	S	S	.	.	H	α-helix	trans	-89	-23.3	178.4	-73.7	-70.1	0	0	0	114.2	V143 F144 N145 N149 M150 Y268	V143-F147 HydrophobicContact CB-CD2 4.47Å; V143-F147 HydrophobicContact CB-CE2 4.42Å; V143-F147 HydrophobicContact CG1-CD2 3.7Å; V143-F147 HydrophobicContact CG1-CE2 3.66Å; V143-F147 WeakPolarHBondContact O-CD2 3.42Å; V143-F147 PolarHBondContact O-N 3.33Å; F144-F147 PolarHBondContact O-N 3.31Å; N145-F147 VanDerWaalsContact C-N 3.34Å; F147-N149 VanDerWaalsContact C-N 3.32Å; F147-N149 PolarHBondContact O-N 3.23Å; F147-M150 HydrophobicContact CD1-CE 3.57Å; F147-M150 HydrophobicContact CD1-SD 4.09Å; F147-M150 HydrophobicContact CE1-CE 3.45Å; F147-M150 VanDerWaalsContact CE1-CE 3.45Å; F147-M150 HydrophobicContact CE1-SD 4.23Å; F147-Y268 AromaticContact CD1-CE2 3.6Å; F147-Y268 HydrophobicContact CD1-CE2 3.6Å; F147-Y268 AromaticContact CD1-CZ 3.87Å; F147-Y268 HydrophobicContact CE1-CD2 4.06Å; F147-Y268 AromaticContact CE1-CE2 3.54Å; F147-Y268 HydrophobicContact CE1-CE2 3.54Å
148	S	39.3	Very low	43.3	Very low	63 Å²	63	99.6 Å²	99.6	44%	0.441	53%	0.526	S	S	.	.	H	α-helix	trans	-73.6	-20.1	176.2	60.9	0	0	0	0	114.3	F144 N145	F144-S148 PolarHBondContact O-N 3.37Å; N145-S148 PolarHBondContact O-OG 3Å
149	N	38.1	Very low	45	Very low	126 Å²	126	94.9 Å²	94.9	67%	0.674	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	15.5	178.6	-73.5	-17.7	0	0	0	113	F147 H151	F147-N149 VanDerWaalsContact C-N 3.32Å; F147-N149 PolarHBondContact O-N 3.23Å; N149-H151 PolarHBondContact O-N 3.14Å; N149-H151 PolarHBondContact O-ND1 2.9Å
150	M	42.8	Very low	47	Very low	63 Å²	63	98.3 Å²	98.3	31%	0.31	51%	0.514	S	S	.	.			trans	-73.8	104.6	-173.8	-160.9	118.6	106.8	0	0	110.2	F147 W152 Y268	F147-M150 HydrophobicContact CD1-CE 3.57Å; F147-M150 HydrophobicContact CD1-SD 4.09Å; F147-M150 HydrophobicContact CE1-CE 3.45Å; F147-M150 VanDerWaalsContact CE1-CE 3.45Å; F147-M150 HydrophobicContact CE1-SD 4.23Å; M150-W152 VanDerWaalsContact O-CE3 3.25Å; M150-W152 VanDerWaalsContact O-CZ3 3.3Å; M150-W152 WeakPolarHBondContact O-CZ3 3.34Å; M150-W152 PolarHBondContact O-N 2.62Å; M150-Y268 HydrophobicContact CE-CD1 3.74Å; M150-Y268 HydrophobicContact CE-CD2 4.16Å; M150-Y268 HydrophobicContact CE-CE1 3.33Å; M150-Y268 HydrophobicContact CE-CE2 3.81Å; M150-Y268 HydrophobicContact CE-CG 4.15Å
151	H	48.3	Very low	49.1	Very low	166 Å²	166	98.6 Å²	98.6	77%	0.769	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-65.6	118.3	164.2	-71.7	55.7	0	0	0	106.9	N149	N149-H151 PolarHBondContact O-N 3.14Å; N149-H151 PolarHBondContact O-ND1 2.9Å
152	W	50.8	Low	51.4	Low	92 Å²	92	95.2 Å²	95.2	35%	0.348	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-54.7	133.2	171.1	-70.4	-105.7	0	0	0	107.7	M150 V154 L362	M150-W152 VanDerWaalsContact O-CE3 3.25Å; M150-W152 VanDerWaalsContact O-CZ3 3.3Å; M150-W152 WeakPolarHBondContact O-CZ3 3.34Å; M150-W152 PolarHBondContact O-N 2.62Å; W152-V154 PolarHBondContact O-N 3.06Å; W152-L362 VanDerWaalsContact CD1-O 3.27Å
153	P	45	Very low	53.6	Low	61 Å²	61	94.7 Å²	94.7	40%	0.396	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-53.6	117.4	177.2	-14.4	21.7	0	0	0	108.3	D155	P153-D155 PolarHBondContact O-N 3.15Å
154	V	50.9	Low	55.7	Low	110 Å²	110	92.6 Å²	92.6	67%	0.667	48%	0.481	S	S	*	.			trans	-76.3	-5.3	176.6	-174.3	0	0	0	0	109.9	W152 I156	W152-V154 PolarHBondContact O-N 3.06Å; V154-I156 PolarHBondContact O-N 3.18Å
155	D	54	Low	57.6	Low	119 Å²	119	94.1 Å²	94.1	64%	0.636	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-63	120.2	-176.8	-63.1	-31.8	0	0	0	110.6	P153 H157	P153-D155 PolarHBondContact O-N 3.15Å; D155-H157 PolarHBondContact O-N 3.5Å
156	I	56.6	Low	59.6	Low	78 Å²	78	92.3 Å²	92.3	40%	0.4	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-73.2	116.9	177.4	-56.1	175.6	0	0	0	106.8	V154 P158	V154-I156 PolarHBondContact O-N 3.18Å; I156-P158 WeakPolarHBondContact O-CD 3.45Å
157	H	62.8	Low	61.9	Low	89 Å²	89	91.6 Å²	91.6	41%	0.412	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-78	119.4	166.3	-69	-61.3	0	0	0	108.3	D155 L159 N272	D155-H157 PolarHBondContact O-N 3.5Å; H157-L159 PolarHBondContact O-N 3.18Å; H157-N272 PolarHBondContact NE2-O 3.27Å
158	P	63.6	Low	64.2	Low	114 Å²	114	93.6 Å²	93.6	74%	0.74	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-57.1	127.1	172.1	-20.2	31.8	0	0	0	108.6	I156 N160	I156-P158 WeakPolarHBondContact O-CD 3.45Å; P158-N160 PolarHBondContact O-N 3.28Å
159	L	70.8	Confident	66.7	Low	18 Å²	18	91.2 Å²	91.2	9%	0.094	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-57.8	128.5	171.4	-73.1	171.3	0	0	0	108.4	H157 K161 T275 D366 M384	H157-L159 PolarHBondContact O-N 3.18Å; L159-K161 HydrophobicContact CB-CG 4.27Å; L159-K161 PolarHBondContact O-N 2.8Å; L159-T275 HydrophobicContact CD2-CG2 3.93Å; L159-D366 WeakPolarHBondContact CD1-O 2.82Å; L159-D366 HydrophobicContact CD2-CB 3.6Å; L159-D366 HydrophobicContact CG-CB 4.43Å; L159-M384 HydrophobicContact CB-SD 3.99Å; L159-M384 HydrophobicContact CD1-SD 3.77Å; L159-M384 HydrophobicContact CD2-CE 3.85Å; L159-M384 HydrophobicContact CD2-SD 3.81Å; L159-M384 HydrophobicContact CG-SD 4.08Å
160	N	74.9	Confident	69.3	Low	109 Å²	109	91.8 Å²	91.8	58%	0.583	47%	0.468	S	S	*	.			trans	-70.8	96.9	173.6	-177.9	-0.3	0	0	0	109.3	P158 S162	P158-N160 PolarHBondContact O-N 3.28Å; N160-S162 VanDerWaalsContact OD1-CB 3.29Å; N160-S162 WeakPolarHBondContact OD1-CB 3.3Å; N160-S162 PolarHBondContact OD1-N 2.94Å; N160-S162 VanDerWaalsContact OD1-N 3.14Å; N160-S162 PolarHBondContact OD1-OG 3.35Å
161	K	80.6	Confident	71.7	Confident	56 Å²	56	96 Å²	96	24%	0.243	48%	0.484	C	S	.	.			trans	-92.6	4.6	-179.6	-64.8	172.8	178.8	-165.4	0	113.7	L159 L163 V164 D173 E177	L159-K161 HydrophobicContact CB-CG 4.27Å; L159-K161 PolarHBondContact O-N 2.8Å; K161-L163 PolarHBondContact O-N 2.88Å; K161-V164 PolarHBondContact O-N 3.21Å; K161-D173 WeakPolarHBondContact CD-OD1 3.35Å; K161-D173 WeakPolarHBondContact CE-OD1 3.45Å; K161-D173 IonicContact NZ-OD1 3.98Å; K161-D173 PolarHBondContact NZ-OD1 2.99Å; K161-D173 IonicContact NZ-OD2 3.29Å; K161-D173 PolarHBondContact NZ-OD2 3.35Å; K161-E177 WeakPolarHBondContact CE-OE1 3.47Å; K161-E177 VanDerWaalsContact NZ-CD 3.33Å; K161-E177 VanDerWaalsContact NZ-CG 3.34Å; K161-E177 IonicContact NZ-OE1 3.52Å; K161-E177 PolarHBondContact NZ-OE1 3.23Å
162	S	79.9	Confident	74	Confident	69 Å²	69	88.3 Å²	88.3	48%	0.483	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.2	-175.9	62.5	0	0	0	0	114.1	N160 K165	N160-S162 VanDerWaalsContact OD1-CB 3.29Å; N160-S162 WeakPolarHBondContact OD1-CB 3.3Å; N160-S162 PolarHBondContact OD1-N 2.94Å; N160-S162 VanDerWaalsContact OD1-N 3.14Å; N160-S162 PolarHBondContact OD1-OG 3.35Å; S162-K165 WeakPolarHBondContact O-CE 3.25Å
163	L	80.3	Confident	76	Confident	80 Å²	80	85.7 Å²	85.7	42%	0.419	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-10.7	178.5	-58.4	-179.8	0	0	0	113.5	K161 K165 Q383 G386	K161-L163 PolarHBondContact O-N 2.88Å; L163-K165 PolarHBondContact O-N 2.87Å; L163-Q383 PolarHBondContact O-NE2 2.89Å; L163-G386 VanDerWaalsContact CD1-CA 3.49Å
164	V	81.1	Confident	78.3	Confident	28 Å²	28	87.1 Å²	87.1	17%	0.17	44%	0.443	C	S	.	.			trans	-93.9	83.3	176.2	-174.2	0	0	0	0	108.4	K161 W169 Y380 Q383 M384	K161-V164 PolarHBondContact O-N 3.21Å; V164-W169 HydrophobicContact CG1-CB 3.57Å; V164-W169 HydrophobicContact CG1-CG 3.93Å; V164-Y380 HydrophobicContact CG1-CD2 4.42Å; V164-Y380 HydrophobicContact CG1-CE2 3.81Å; V164-Y380 HydrophobicContact CG2-CE2 3.98Å; V164-Q383 HydrophobicContact CG2-CG 4.31Å; V164-M384 HydrophobicContact CG2-CB 4.12Å
165	K	76.5	Confident	80.5	Confident	185 Å²	185	84.4 Å²	84.4	80%	0.804	43%	0.425	S	S	*	.			trans	-97.7	-8.7	178.9	-60.8	-174.1	-179.8	-176.7	0	113.9	S162 L163	S162-K165 WeakPolarHBondContact O-CE 3.25Å; L163-K165 PolarHBondContact O-N 2.87Å
166	D	76.6	Confident	82.4	Confident	76 Å²	76	78.9 Å²	78.9	41%	0.406	40%	0.395	S	S	.	.			trans	-87.8	123	-173.5	-171.3	-21.7	0	0	0	110.5	K168 W169	D166-K168 HydrophobicContact CB-CG 4.23Å; D166-K168 VanDerWaalsContact CG-CG 3.46Å; D166-K168 PolarHBondContact O-N 2.78Å; D166-K168 VanDerWaalsContact O-N 3.08Å; D166-K168 WeakPolarHBondContact OD1-CB 3.32Å; D166-K168 WeakPolarHBondContact OD1-CG 3.47Å; D166-K168 PolarHBondContact OD1-N 2.82Å; D166-K168 WeakPolarHBondContact OD2-CD 3.23Å; D166-K168 WeakPolarHBondContact OD2-CE 3.44Å; D166-K168 IonicContact OD2-NZ 2.89Å; D166-K168 PolarHBondContact OD2-NZ 2.88Å; D166-W169 PolarHBondContact O-N 3.02Å; D166-W169 VanDerWaalsContact O-N 3.1Å
167	N	84.1	Confident	84.2	Confident	145 Å²	145	77.3 Å²	77.3	78%	0.775	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-57.3	-22.5	178.3	-80.4	-18.7	0	0	0	113	W169 K170	N167-W169 PolarHBondContact O-N 3.18Å; N167-W169 VanDerWaalsContact O-N 3.16Å; N167-K170 WeakPolarHBondContact O-CB 3.23Å; N167-K170 PolarHBondContact O-N 3.48Å
168	K	90.7	Very high	85.8	Confident	119 Å²	119	79.8 Å²	79.8	52%	0.517	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-57.8	-29.9	176.8	82.7	-175.8	174.1	-137.7	0	112.8	D166	D166-K168 HydrophobicContact CB-CG 4.23Å; D166-K168 VanDerWaalsContact CG-CG 3.46Å; D166-K168 PolarHBondContact O-N 2.78Å; D166-K168 VanDerWaalsContact O-N 3.08Å; D166-K168 WeakPolarHBondContact OD1-CB 3.32Å; D166-K168 WeakPolarHBondContact OD1-CG 3.47Å; D166-K168 PolarHBondContact OD1-N 2.82Å; D166-K168 WeakPolarHBondContact OD2-CD 3.23Å; D166-K168 WeakPolarHBondContact OD2-CE 3.44Å; D166-K168 IonicContact OD2-NZ 2.89Å; D166-K168 PolarHBondContact OD2-NZ 2.88Å
169	W	93	Very high	87.4	Confident	13 Å²	13	76.3 Å²	76.3	5%	0.049	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-85.5	-5	-175.7	-64.7	127.5	0	0	0	114.1	V164 D166 N167 K171 T172 D173 E376 N379 Y380	V164-W169 HydrophobicContact CG1-CB 3.57Å; V164-W169 HydrophobicContact CG1-CG 3.93Å; D166-W169 PolarHBondContact O-N 3.02Å; D166-W169 VanDerWaalsContact O-N 3.1Å; N167-W169 PolarHBondContact O-N 3.18Å; N167-W169 VanDerWaalsContact O-N 3.16Å; W169-K171 VanDerWaalsContact C-N 3.32Å; W169-K171 PolarHBondContact O-N 3.49Å; W169-T172 PolarHBondContact O-N 3.05Å; W169-T172 VanDerWaalsContact O-N 3.13Å; W169-D173 WeakPolarHBondContact O-CB 3.48Å; W169-D173 PolarHBondContact O-N 3.03Å; W169-E376 VanDerWaalsContact CE3-OE1 3.28Å; W169-E376 HydrophobicContact CZ3-CG 4.5Å; W169-E376 WeakPolarHBondContact CZ3-OE1 3.36Å; W169-N379 HydrophobicContact CH2-CB 3.74Å; W169-N379 HydrophobicContact CZ2-CB 4.41Å; W169-Y380 HydrophobicContact CB-CD2 3.68Å; W169-Y380 HydrophobicContact CB-CE2 3.86Å; W169-Y380 AromaticContact CD2-CD2 3.72Å; W169-Y380 HydrophobicContact CD2-CD2 3.72Å; W169-Y380 HydrophobicContact CD2-CG 4.41Å; W169-Y380 AromaticContact CE3-CD2 3.8Å; W169-Y380 HydrophobicContact CE3-CD2 3.8Å; W169-Y380 HydrophobicContact CE3-CG 4.09Å; W169-Y380 AromaticContact CG-CD2 3.7Å; W169-Y380 HydrophobicContact CG-CD2 3.7Å; W169-Y380 HydrophobicContact CG-CE2 4.3Å
170	K	91.9	Very high	88.4	Confident	137 Å²	137	76.5 Å²	76.5	60%	0.596	37%	0.367	S	S	*	.	H	α-helix	trans	-55.1	-46.3	-175.2	-175.5	-179.7	178.1	-177.2	0	112.5	N167 D173 E174	N167-K170 WeakPolarHBondContact O-CB 3.23Å; N167-K170 PolarHBondContact O-N 3.48Å; K170-D173 WeakPolarHBondContact O-CB 3.37Å; K170-D173 PolarHBondContact O-N 3.06Å; K170-E174 WeakPolarHBondContact CE-OE1 3.41Å; K170-E174 WeakPolarHBondContact O-CG 3.46Å; K170-E174 PolarHBondContact O-N 3.34Å; K170-E174 VanDerWaalsContact O-N 3.08Å
171	K	94.4	Very high	89.3	Confident	151 Å²	151	74 Å²	74	66%	0.657	36%	0.358	S	S	*	.	H	α-helix	trans	-64.1	-43.6	179.3	-176.2	-179	178.6	-177.4	0	111.8	W169 E174 I175	W169-K171 VanDerWaalsContact C-N 3.32Å; W169-K171 PolarHBondContact O-N 3.49Å; K171-E174 PolarHBondContact O-N 3.19Å; K171-I175 HydrophobicContact CG-CD1 4.07Å; K171-I175 VanDerWaalsContact O-CG1 3.29Å; K171-I175 WeakPolarHBondContact O-CG1 3.36Å; K171-I175 PolarHBondContact O-N 3.11Å
172	T	94.9	Very high	90.1	Very high	6 Å²	6	74.9 Å²	74.9	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-68	-38.2	-179.2	-54.5	0	0	0	0	110.9	W169 I175 Q176 E376 Y380	W169-T172 PolarHBondContact O-N 3.05Å; W169-T172 VanDerWaalsContact O-N 3.13Å; T172-I175 PolarHBondContact O-N 2.79Å; T172-Q176 WeakPolarHBondContact O-CB 3Å; T172-Q176 VanDerWaalsContact O-CG 3.27Å; T172-Q176 WeakPolarHBondContact O-CG 3.27Å; T172-Q176 PolarHBondContact O-N 3.25Å; T172-E376 HydrophobicContact CG2-CG 4.08Å; T172-E376 WeakPolarHBondContact OG1-CG 3.46Å; T172-E376 PolarHBondContact OG1-OE1 3.24Å; T172-Y380 HydrophobicContact CG2-CD1 3.72Å; T172-Y380 HydrophobicContact CG2-CD2 4.39Å; T172-Y380 HydrophobicContact CG2-CG 3.66Å
173	D	93.4	Very high	90.8	Very high	37 Å²	37	72 Å²	72	20%	0.198	34%	0.341	C	S	.	.	H	α-helix	trans	-57.8	-51.5	171.7	-171.4	87.9	0	0	0	112.1	K161 W169 K170 I175 Q176 E177 Y380	K161-D173 WeakPolarHBondContact CD-OD1 3.35Å; K161-D173 WeakPolarHBondContact CE-OD1 3.45Å; K161-D173 IonicContact NZ-OD1 3.98Å; K161-D173 PolarHBondContact NZ-OD1 2.99Å; K161-D173 IonicContact NZ-OD2 3.29Å; K161-D173 PolarHBondContact NZ-OD2 3.35Å; W169-D173 WeakPolarHBondContact O-CB 3.48Å; W169-D173 PolarHBondContact O-N 3.03Å; K170-D173 WeakPolarHBondContact O-CB 3.37Å; K170-D173 PolarHBondContact O-N 3.06Å; D173-I175 VanDerWaalsContact C-N 3.29Å; D173-I175 PolarHBondContact O-N 2.86Å; D173-Q176 PolarHBondContact O-N 2.83Å; D173-Q176 VanDerWaalsContact O-N 3.13Å; D173-E177 PolarHBondContact O-N 2.85Å; D173-Y380 HydrophobicContact CB-CE2 4.29Å; D173-Y380 PolarHBondContact OD1-OH 3.39Å
174	E	94.1	Very high	91.3	Very high	90 Å²	90	69.4 Å²	69.4	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-60.1	-38.6	177.9	-71.8	172.9	-164.9	0	0	112.2	K170 K171 K178	K170-E174 WeakPolarHBondContact CE-OE1 3.41Å; K170-E174 WeakPolarHBondContact O-CG 3.46Å; K170-E174 PolarHBondContact O-N 3.34Å; K170-E174 VanDerWaalsContact O-N 3.08Å; K171-E174 PolarHBondContact O-N 3.19Å; E174-K178 VanDerWaalsContact O-CG 3.26Å; E174-K178 WeakPolarHBondContact O-CG 3.3Å; E174-K178 PolarHBondContact O-N 3.36Å; E174-K178 VanDerWaalsContact O-N 3.1Å
175	I	96.2	Very high	91.9	Very high	54 Å²	54	73.1 Å²	73.1	28%	0.277	34%	0.342	S	S	.	.	H	α-helix	trans	-65.5	-43.7	175.8	-72	167.3	0	0	0	110.8	K171 T172 D173 K178 R179	K171-I175 HydrophobicContact CG-CD1 4.07Å; K171-I175 VanDerWaalsContact O-CG1 3.29Å; K171-I175 WeakPolarHBondContact O-CG1 3.36Å; K171-I175 PolarHBondContact O-N 3.11Å; T172-I175 PolarHBondContact O-N 2.79Å; D173-I175 VanDerWaalsContact C-N 3.29Å; D173-I175 PolarHBondContact O-N 2.86Å; I175-K178 PolarHBondContact O-N 2.71Å; I175-R179 HydrophobicContact CG2-CG 4.46Å; I175-R179 WeakPolarHBondContact O-CG 3.42Å; I175-R179 PolarHBondContact O-N 3.14Å
176	Q	95.3	Very high	92.7	Very high	3 Å²	3	64.9 Å²	64.9	1%	0.014	31%	0.307	C	S	.	.	H	α-helix	trans	-68.1	-39.7	-179.1	-71.3	-64.3	-26.3	0	0	112	T172 D173 K178 R179 R180 F367 V368 D377 Y380	T172-Q176 WeakPolarHBondContact O-CB 3Å; T172-Q176 VanDerWaalsContact O-CG 3.27Å; T172-Q176 WeakPolarHBondContact O-CG 3.27Å; T172-Q176 PolarHBondContact O-N 3.25Å; D173-Q176 PolarHBondContact O-N 2.83Å; D173-Q176 VanDerWaalsContact O-N 3.13Å; Q176-K178 PolarHBondContact O-N 2.64Å; Q176-R179 PolarHBondContact O-N 3.08Å; Q176-R180 WeakPolarHBondContact O-CB 3.1Å; Q176-R180 PolarHBondContact O-N 3.19Å; Q176-F367 HydrophobicContact CB-CE2 4.38Å; Q176-F367 HydrophobicContact CG-CD2 4.34Å; Q176-F367 HydrophobicContact CG-CE2 3.62Å; Q176-F367 HydrophobicContact CG-CZ 3.86Å; Q176-V368 PolarHBondContact NE2-O 3.35Å; Q176-V368 VanDerWaalsContact NE2-O 3.13Å; Q176-V368 PolarHBondContact OE1-O 3.36Å; Q176-D377 VanDerWaalsContact NE2-CG 3.33Å; Q176-D377 PolarHBondContact NE2-OD1 2.92Å; Q176-Y380 HydrophobicContact CB-CE1 4.29Å; Q176-Y380 HydrophobicContact CG-CD1 4.09Å; Q176-Y380 HydrophobicContact CG-CE1 3.94Å
177	E	93.8	Very high	93.5	Very high	44 Å²	44	62.3 Å²	62.3	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-62	-42	172.3	-71.5	-59.2	141.5	0	0	112.2	K161 D173 R180 S181	K161-E177 WeakPolarHBondContact CE-OE1 3.47Å; K161-E177 VanDerWaalsContact NZ-CD 3.33Å; K161-E177 VanDerWaalsContact NZ-CG 3.34Å; K161-E177 IonicContact NZ-OE1 3.52Å; K161-E177 PolarHBondContact NZ-OE1 3.23Å; D173-E177 PolarHBondContact O-N 2.85Å; E177-R180 IonicContact OE1-CZ 2.78Å; E177-R180 IonicContact OE1-NH1 3.2Å; E177-R180 PolarHBondContact OE1-NH1 2.71Å; E177-R180 IonicContact OE1-NH2 3.44Å; E177-R180 IonicContact OE2-CZ 2.83Å; E177-R180 IonicContact OE2-NH1 3.14Å; E177-R180 PolarHBondContact OE2-NH1 2.98Å; E177-R180 IonicContact OE2-NH2 3.95Å; E177-R180 PolarHBondContact OE2-NH2 2.9Å; E177-S181 VanDerWaalsContact O-CB 3.28Å; E177-S181 WeakPolarHBondContact O-CB 3.4Å; E177-S181 PolarHBondContact O-N 3.06Å; E177-S181 PolarHBondContact O-OG 3.35Å
178	K	96.3	Very high	93.8	Very high	142 Å²	142	61.9 Å²	61.9	62%	0.617	29%	0.285	S	S	*	.	H	α-helix	trans	-60.6	-44.9	173.6	-74.3	170.3	-175.7	173.3	0	112	E174 I175 Q176 F182	E174-K178 VanDerWaalsContact O-CG 3.26Å; E174-K178 WeakPolarHBondContact O-CG 3.3Å; E174-K178 PolarHBondContact O-N 3.36Å; E174-K178 VanDerWaalsContact O-N 3.1Å; I175-K178 PolarHBondContact O-N 2.71Å; Q176-K178 PolarHBondContact O-N 2.64Å; K178-F182 VanDerWaalsContact O-CB 3.25Å; K178-F182 WeakPolarHBondContact O-CB 3.29Å; K178-F182 PolarHBondContact O-N 3.14Å
179	R	96.7	Very high	93.8	Very high	40 Å²	40	63.4 Å²	63.4	15%	0.151	29%	0.292	C	S	.	.	H	α-helix	trans	-65.3	-45	179.1	-71.6	173.6	-176	176.4	4	112	I175 Q176 F182 L183 V368 T373 D377	I175-R179 HydrophobicContact CG2-CG 4.46Å; I175-R179 WeakPolarHBondContact O-CG 3.42Å; I175-R179 PolarHBondContact O-N 3.14Å; Q176-R179 PolarHBondContact O-N 3.08Å; R179-F182 PolarHBondContact O-N 2.88Å; R179-L183 WeakPolarHBondContact O-CB 3.27Å; R179-L183 PolarHBondContact O-N 3.2Å; R179-V368 HydrophobicContact CB-CB 4.2Å; R179-V368 VanDerWaalsContact CD-O 3.26Å; R179-V368 WeakPolarHBondContact CD-O 3.45Å; R179-V368 PolarHBondContact NH1-O 2.88Å; R179-T373 PolarHBondContact NH2-OG1 2.65Å; R179-D377 IonicContact CZ-OD2 2.8Å; R179-D377 IonicContact NH1-OD1 3.83Å; R179-D377 PolarHBondContact NH1-OD1 3.45Å; R179-D377 IonicContact NH1-OD2 3.2Å; R179-D377 PolarHBondContact NH1-OD2 2.95Å; R179-D377 IonicContact NH2-OD2 3.48Å
180	R	93	Very high	93.4	Very high	23 Å²	23	67.1 Å²	67.1	9%	0.087	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-48.7	177	-167.6	179.2	82.2	-134	-6.7	110.7	Q176 E177 F182 L183 Q184 D366	Q176-R180 WeakPolarHBondContact O-CB 3.1Å; Q176-R180 PolarHBondContact O-N 3.19Å; E177-R180 IonicContact OE1-CZ 2.78Å; E177-R180 IonicContact OE1-NH1 3.2Å; E177-R180 PolarHBondContact OE1-NH1 2.71Å; E177-R180 IonicContact OE1-NH2 3.44Å; E177-R180 IonicContact OE2-CZ 2.83Å; E177-R180 IonicContact OE2-NH1 3.14Å; E177-R180 PolarHBondContact OE2-NH1 2.98Å; E177-R180 IonicContact OE2-NH2 3.95Å; E177-R180 PolarHBondContact OE2-NH2 2.9Å; R180-F182 PolarHBondContact O-N 2.99Å; R180-L183 PolarHBondContact O-N 3.33Å; R180-Q184 VanDerWaalsContact O-CG 3.29Å; R180-Q184 WeakPolarHBondContact O-CG 3.34Å; R180-Q184 PolarHBondContact O-N 3.33Å; R180-D366 WeakPolarHBondContact CD-O 3.48Å
181	S	93.6	Very high	92.5	Very high	55 Å²	55	61.7 Å²	61.7	39%	0.385	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-44.1	179.8	-55.5	0	0	0	0	111.5	E177 L183 Q184 E185	E177-S181 VanDerWaalsContact O-CB 3.28Å; E177-S181 WeakPolarHBondContact O-CB 3.4Å; E177-S181 PolarHBondContact O-N 3.06Å; E177-S181 PolarHBondContact O-OG 3.35Å; S181-L183 PolarHBondContact O-N 3.26Å; S181-Q184 PolarHBondContact O-N 3.19Å; S181-E185 WeakPolarHBondContact O-CG 3.27Å; S181-E185 PolarHBondContact O-N 3.13Å
182	F	96.1	Very high	91	Very high	76 Å²	76	58.2 Å²	58.2	33%	0.333	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-47.4	177	-179	-82.3	0	0	0	112.1	K178 R179 R180 Q184 E185 F186 L435 M436 N438	K178-F182 VanDerWaalsContact O-CB 3.25Å; K178-F182 WeakPolarHBondContact O-CB 3.29Å; K178-F182 PolarHBondContact O-N 3.14Å; R179-F182 PolarHBondContact O-N 2.88Å; R180-F182 PolarHBondContact O-N 2.99Å; F182-Q184 VanDerWaalsContact C-N 3.28Å; F182-Q184 PolarHBondContact O-N 3.18Å; F182-E185 PolarHBondContact O-N 3.16Å; F182-F186 HydrophobicContact CE1-CB 4.38Å; F182-F186 WeakPolarHBondContact O-CB 3.49Å; F182-F186 PolarHBondContact O-N 3.32Å; F182-L435 WeakPolarHBondContact CE1-O 3.5Å; F182-L435 WeakPolarHBondContact CZ-O 3.37Å; F182-M436 WeakPolarHBondContact CE1-O 3.43Å; F182-N438 HydrophobicContact CD1-CB 3.95Å; F182-N438 HydrophobicContact CD2-CB 4.25Å; F182-N438 HydrophobicContact CE1-CB 3.65Å; F182-N438 HydrophobicContact CE2-CB 3.93Å; F182-N438 HydrophobicContact CG-CB 4.25Å; F182-N438 HydrophobicContact CZ-CB 3.63Å
183	L	94.9	Very high	89.1	Confident	8 Å²	8	62.9 Å²	62.9	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-61.2	-39.3	179.2	179.3	60.9	0	0	0	111.5	R179 R180 S181 F186 C187 P360 V368 M436 F437	R179-L183 WeakPolarHBondContact O-CB 3.27Å; R179-L183 PolarHBondContact O-N 3.2Å; R180-L183 PolarHBondContact O-N 3.33Å; S181-L183 PolarHBondContact O-N 3.26Å; L183-F186 WeakPolarHBondContact O-CB 3.43Å; L183-F186 PolarHBondContact O-N 3.21Å; L183-C187 WeakPolarHBondContact O-CB 3.22Å; L183-C187 PolarHBondContact O-N 3.46Å; L183-C187 PolarHBondContact O-SG 3.18Å; L183-C187 VanDerWaalsContact O-SG 3.36Å; L183-P360 HydrophobicContact CD1-CB 3.98Å; L183-P360 HydrophobicContact CD2-CB 4.13Å; L183-V368 HydrophobicContact CD2-CG2 3.81Å; L183-M436 HydrophobicContact CD1-CG 3.42Å; L183-M436 VanDerWaalsContact CD1-CG 3.42Å; L183-M436 HydrophobicContact CD1-SD 4.21Å; L183-F437 HydrophobicContact CD1-CE1 4.35Å; L183-F437 HydrophobicContact CD2-CE1 4.44Å
184	Q	91.4	Very high	87	Confident	25 Å²	25	65.7 Å²	65.7	12%	0.117	35%	0.347	C	S	.	.	H	α-helix	trans	-64.4	-48.6	176.3	-72.7	173.1	-10.4	0	0	111.9	R180 S181 F182 F186 C187 K188 N364	R180-Q184 VanDerWaalsContact O-CG 3.29Å; R180-Q184 WeakPolarHBondContact O-CG 3.34Å; R180-Q184 PolarHBondContact O-N 3.33Å; S181-Q184 PolarHBondContact O-N 3.19Å; F182-Q184 VanDerWaalsContact C-N 3.28Å; F182-Q184 PolarHBondContact O-N 3.18Å; Q184-F186 VanDerWaalsContact C-N 3.29Å; Q184-F186 PolarHBondContact O-N 3.49Å; Q184-C187 PolarHBondContact O-N 3.23Å; Q184-K188 WeakPolarHBondContact O-CG 3.35Å; Q184-K188 PolarHBondContact O-N 2.92Å; Q184-N364 PolarHBondContact NE2-OD1 3.49Å
185	E	93.2	Very high	85	Confident	107 Å²	107	65.2 Å²	65.2	50%	0.5	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-39.2	176.4	-69	-52	125.9	0	0	111.8	S181 F182 C187 K188 K189	S181-E185 WeakPolarHBondContact O-CG 3.27Å; S181-E185 PolarHBondContact O-N 3.13Å; F182-E185 PolarHBondContact O-N 3.16Å; E185-C187 PolarHBondContact O-N 3.38Å; E185-K188 PolarHBondContact O-N 3.18Å; E185-K188 IonicContact OE1-NZ 3.59Å; E185-K188 PolarHBondContact OE1-NZ 3.22Å; E185-K189 WeakPolarHBondContact O-CB 3.18Å; E185-K189 PolarHBondContact O-N 2.7Å
186	F	94.3	Very high	82.9	Confident	12 Å²	12	71.2 Å²	71.2	5%	0.053	37%	0.371	C	S	.	.	H	α-helix	trans	-57.4	-49.9	172.1	178.4	-85.2	0	0	0	111.2	F182 L183 Q184 K189 Y190 L432 L435 M436	F182-F186 HydrophobicContact CE1-CB 4.38Å; F182-F186 WeakPolarHBondContact O-CB 3.49Å; F182-F186 PolarHBondContact O-N 3.32Å; L183-F186 WeakPolarHBondContact O-CB 3.43Å; L183-F186 PolarHBondContact O-N 3.21Å; Q184-F186 VanDerWaalsContact C-N 3.29Å; Q184-F186 PolarHBondContact O-N 3.49Å; F186-K189 PolarHBondContact O-N 3.2Å; F186-Y190 HydrophobicContact CD1-CD2 4.41Å; F186-Y190 AromaticContact CD2-CD2 3.51Å; F186-Y190 HydrophobicContact CD2-CD2 3.51Å; F186-Y190 AromaticContact CD2-CE2 3.82Å; F186-Y190 HydrophobicContact CD2-CE2 3.82Å; F186-Y190 HydrophobicContact CE1-CD2 4.28Å; F186-Y190 AromaticContact CE2-CD2 3.36Å; F186-Y190 HydrophobicContact CE2-CD2 3.36Å; F186-Y190 AromaticContact CE2-CE2 3.74Å; F186-Y190 HydrophobicContact CE2-CE2 3.74Å; F186-Y190 HydrophobicContact CE2-CG 4.13Å; F186-Y190 HydrophobicContact CG-CD2 4.03Å; F186-Y190 AromaticContact CZ-CD2 3.78Å; F186-Y190 HydrophobicContact CZ-CD2 3.78Å; F186-Y190 HydrophobicContact CZ-CG 4.14Å; F186-Y190 WeakPolarHBondContact O-CD2 3.47Å; F186-Y190 PolarHBondContact O-N 3.06Å; F186-L432 HydrophobicContact CE1-CD1 4.39Å; F186-L432 HydrophobicContact CZ-CD1 3.68Å; F186-L432 HydrophobicContact CZ-CG 4.39Å; F186-L435 HydrophobicContact CD2-CB 4.42Å; F186-L435 HydrophobicContact CE2-CB 3.65Å; F186-L435 HydrophobicContact CE2-CD1 4.48Å; F186-L435 HydrophobicContact CZ-CB 4.41Å; F186-M436 HydrophobicContact CD1-CB 3.98Å; F186-M436 HydrophobicContact CD1-CE 4.21Å; F186-M436 HydrophobicContact CD1-CG 3.81Å; F186-M436 HydrophobicContact CD2-CB 4.49Å; F186-M436 HydrophobicContact CE1-CB 3.72Å; F186-M436 HydrophobicContact CE1-CE 3.53Å; F186-M436 HydrophobicContact CE1-CG 3.84Å; F186-M436 HydrophobicContact CE2-CB 4.25Å; F186-M436 HydrophobicContact CG-CB 4.38Å; F186-M436 HydrophobicContact CG-CG 4.47Å; F186-M436 HydrophobicContact CZ-CB 3.85Å; F186-M436 HydrophobicContact CZ-CE 4.32Å; F186-M436 HydrophobicContact CZ-CG 4.48Å
187	C	92.1	Very high	81	Confident	21 Å²	21	79.7 Å²	79.7	14%	0.142	41%	0.411	C	S	.	.	H	α-helix	trans	-70.2	-31.8	-178.5	-71.2	0	0	0	0	113.4	L183 Q184 E185 K189 G191 C361	L183-C187 WeakPolarHBondContact O-CB 3.22Å; L183-C187 PolarHBondContact O-N 3.46Å; L183-C187 PolarHBondContact O-SG 3.18Å; L183-C187 VanDerWaalsContact O-SG 3.36Å; Q184-C187 PolarHBondContact O-N 3.23Å; E185-C187 PolarHBondContact O-N 3.38Å; C187-K189 VanDerWaalsContact C-N 3.3Å; C187-K189 PolarHBondContact O-N 3.32Å; C187-G191 WeakPolarHBondContact O-CA 3.38Å; C187-G191 PolarHBondContact O-N 3.19Å; C187-C361 WeakPolarHBondContact CA-SG 3.28Å; C187-C361 HydrophobicContact CB-CB 3.63Å; C187-C361 WeakPolarHBondContact CB-SG 3.39Å; C187-C361 WeakPolarHBondContact SG-CA 3.39Å; C187-C361 WeakPolarHBondContact SG-CB 3.36Å; C187-C361 CovalentContact SG-SG 2.05Å; C187-C361 PolarHBondContact SG-SG 3.41Å
188	K	90.5	Very high	79.5	Confident	136 Å²	136	79.2 Å²	79.2	59%	0.591	41%	0.412	S	S	*	.	H	α-helix	trans	-61.6	-39.9	169.3	-71.9	174	-171.6	169.8	0	111.5	Q184 E185	Q184-K188 WeakPolarHBondContact O-CG 3.35Å; Q184-K188 PolarHBondContact O-N 2.92Å; E185-K188 PolarHBondContact O-N 3.18Å; E185-K188 IonicContact OE1-NZ 3.59Å; E185-K188 PolarHBondContact OE1-NZ 3.22Å
189	K	89.9	Confident	78.9	Confident	151 Å²	151	78.6 Å²	78.6	66%	0.657	41%	0.411	S	S	*	.	H	α-helix	trans	-77.6	-39.6	-178.1	-174.2	172.8	178.2	-174.6	0	113.5	E185 F186 C187	E185-K189 WeakPolarHBondContact O-CB 3.18Å; E185-K189 PolarHBondContact O-N 2.7Å; F186-K189 PolarHBondContact O-N 3.2Å; C187-K189 VanDerWaalsContact C-N 3.3Å; C187-K189 PolarHBondContact O-N 3.32Å
190	Y	84.9	Confident	78.4	Confident	92 Å²	92	77.8 Å²	77.8	36%	0.361	41%	0.41	S	S	.	.	H	α-helix	trans	-119.6	-8.2	-168.9	-59.7	-74.1	0	0	0	114.8	F186 G192 V193	F186-Y190 HydrophobicContact CD1-CD2 4.41Å; F186-Y190 AromaticContact CD2-CD2 3.51Å; F186-Y190 HydrophobicContact CD2-CD2 3.51Å; F186-Y190 AromaticContact CD2-CE2 3.82Å; F186-Y190 HydrophobicContact CD2-CE2 3.82Å; F186-Y190 HydrophobicContact CE1-CD2 4.28Å; F186-Y190 AromaticContact CE2-CD2 3.36Å; F186-Y190 HydrophobicContact CE2-CD2 3.36Å; F186-Y190 AromaticContact CE2-CE2 3.74Å; F186-Y190 HydrophobicContact CE2-CE2 3.74Å; F186-Y190 HydrophobicContact CE2-CG 4.13Å; F186-Y190 HydrophobicContact CG-CD2 4.03Å; F186-Y190 AromaticContact CZ-CD2 3.78Å; F186-Y190 HydrophobicContact CZ-CD2 3.78Å; F186-Y190 HydrophobicContact CZ-CG 4.14Å; F186-Y190 WeakPolarHBondContact O-CD2 3.47Å; F186-Y190 PolarHBondContact O-N 3.06Å; Y190-G192 VanDerWaalsContact C-N 3.28Å; Y190-G192 PolarHBondContact O-N 2.95Å; Y190-V193 WeakPolarHBondContact O-CG2 3.39Å; Y190-V193 PolarHBondContact O-N 3.34Å
191	G	73.6	Confident	78.2	Confident	22 Å²	22	80 Å²	80	23%	0.227	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.5	-175.9	0	0	0	0	0	115.2	C187 V193 H195	C187-G191 WeakPolarHBondContact O-CA 3.38Å; C187-G191 PolarHBondContact O-N 3.19Å; G191-V193 VanDerWaalsContact C-N 3.32Å; G191-V193 PolarHBondContact O-N 3.03Å; G191-H195 PolarHBondContact O-CD2 3.01Å
192	G	62.6	Low	78.1	Confident	78 Å²	78	82.5 Å²	82.5	80%	0.804	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.9	177.5	0	0	0	0	0	115.3	Y190 S194	Y190-G192 VanDerWaalsContact C-N 3.28Å; Y190-G192 PolarHBondContact O-N 2.95Å; G192-S194 PolarHBondContact O-N 3.49Å
193	V	56	Low	77.9	Confident	104 Å²	104	78.9 Å²	78.9	63%	0.63	41%	0.41	S	S	*	.	S	Bend	trans	-79.9	90.8	-177.9	-173	0	0	0	0	109.9	Y190 G191 H195	Y190-V193 WeakPolarHBondContact O-CG2 3.39Å; Y190-V193 PolarHBondContact O-N 3.34Å; G191-V193 VanDerWaalsContact C-N 3.32Å; G191-V193 PolarHBondContact O-N 3.03Å; V193-H195 PolarHBondContact O-N 3.39Å
194	S	47.5	Very low	77.9	Confident	96 Å²	96	78.6 Å²	78.6	67%	0.671	41%	0.408	S	S	*	.			trans	26.3	74.4	166	70.2	0	0	0	0	115.7	G192 H196	G192-S194 PolarHBondContact O-N 3.49Å; S194-H196 PolarHBondContact O-N 3.35Å; S194-H196 VanDerWaalsContact O-N 3.16Å
195	H	53.1	Low	78.1	Confident	80 Å²	80	78.7 Å²	78.7	37%	0.37	41%	0.412	S	S	.	.			trans	-72.9	106.1	162.2	-71.6	-76.7	0	0	0	107.7	G191 V193 Q197	G191-H195 PolarHBondContact O-CD2 3.01Å; V193-H195 PolarHBondContact O-N 3.39Å; H195-Q197 PolarHBondContact O-N 2.86Å; H195-Q197 VanDerWaalsContact O-N 3.13Å
196	H	52.8	Low	78.3	Confident	180 Å²	180	74.7 Å²	74.7	83%	0.833	39%	0.392	S	S	*	.			trans	-46.1	124.8	159.6	-71.7	-69.7	0	0	0	107.1	S194 S198	S194-H196 PolarHBondContact O-N 3.35Å; S194-H196 VanDerWaalsContact O-N 3.16Å; H196-S198 VanDerWaalsContact C-N 3.34Å; H196-S198 PolarHBondContact O-N 3.35Å
197	Q	54	Low	78.5	Confident	181 Å²	181	74.1 Å²	74.1	85%	0.846	39%	0.39	S	S	*	.			trans	-41	94.8	-175.5	-85.7	170.1	-23.5	0	0	110.6	H195 H199	H195-Q197 PolarHBondContact O-N 2.86Å; H195-Q197 VanDerWaalsContact O-N 3.13Å; Q197-H199 PolarHBondContact O-N 3.27Å
198	S	62.4	Low	78.8	Confident	34 Å²	34	74.1 Å²	74.1	24%	0.238	39%	0.387	C	S	.	.			trans	-78.7	118.4	176.6	55.6	0	0	0	0	106.2	H196 L200 T203	H196-S198 VanDerWaalsContact C-N 3.34Å; H196-S198 PolarHBondContact O-N 3.35Å; S198-L200 PolarHBondContact O-N 3.42Å; S198-T203 PolarHBondContact OG-OG1 3.04Å
199	H	83.9	Confident	79.1	Confident	129 Å²	129	68 Å²	68	60%	0.597	36%	0.361	S	S	*	.			trans	-52.1	129.2	178.1	-176.1	-112	0	0	0	109.5	Q197 F201 H202 T203	Q197-H199 PolarHBondContact O-N 3.27Å; H199-F201 AromaticContact CE1-CD2 3.23Å; H199-F201 WeakPolarHBondContact CE1-CD2 3.3Å; H199-F201 AromaticContact CE1-CG 3.84Å; H199-F201 AromaticContact ND1-CD2 3.87Å; H199-F201 AromaticContact NE2-CD2 3.82Å; H199-F201 PolarHBondContact O-N 2.88Å; H199-F201 VanDerWaalsContact O-N 3.11Å; H199-H202 HydrophobicContact CB-CB 4.4Å; H199-H202 WeakPolarHBondContact O-CA 3.29Å; H199-H202 VanDerWaalsContact O-CB 3.3Å; H199-H202 WeakPolarHBondContact O-CB 3.31Å; H199-H202 PolarHBondContact O-N 2.99Å; H199-T203 PolarHBondContact O-N 3.03Å; H199-T203 VanDerWaalsContact O-N 3.08Å; H199-T203 PolarHBondContact O-OG1 3.48Å
200	L	86.6	Confident	79.5	Confident	24 Å²	24	61.1 Å²	61.1	13%	0.126	33%	0.331	C	S	.	.	H	α-helix	trans	-48.2	-46.1	-173.3	174.4	64.3	0	0	0	112.2	S198 H202 T203 V204 L264 I267 Y268	S198-L200 PolarHBondContact O-N 3.42Å; L200-H202 VanDerWaalsContact C-N 3.3Å; L200-H202 PolarHBondContact O-N 3.44Å; L200-T203 WeakPolarHBondContact O-CB 3.42Å; L200-T203 PolarHBondContact O-N 3.5Å; L200-T203 VanDerWaalsContact O-N 3.11Å; L200-V204 HydrophobicContact CD1-CG1 4.22Å; L200-V204 WeakPolarHBondContact O-CG2 3.33Å; L200-V204 PolarHBondContact O-N 2.78Å; L200-L264 HydrophobicContact CD2-CD2 3.68Å; L200-I267 HydrophobicContact CD1-CG2 4.46Å; L200-I267 HydrophobicContact CD2-CG2 4.24Å; L200-I267 HydrophobicContact CG-CG2 4.49Å; L200-Y268 HydrophobicContact CD2-CE2 4.23Å
201	F	89	Confident	80.1	Confident	68 Å²	68	59.2 Å²	59.2	30%	0.298	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-36.1	179.5	-67.6	-92.3	0	0	0	112.7	H199 V204 S205 D260 L264 I267	H199-F201 AromaticContact CE1-CD2 3.23Å; H199-F201 WeakPolarHBondContact CE1-CD2 3.3Å; H199-F201 AromaticContact CE1-CG 3.84Å; H199-F201 AromaticContact ND1-CD2 3.87Å; H199-F201 AromaticContact NE2-CD2 3.82Å; H199-F201 PolarHBondContact O-N 2.88Å; H199-F201 VanDerWaalsContact O-N 3.11Å; F201-V204 PolarHBondContact O-N 2.81Å; F201-S205 WeakPolarHBondContact O-CB 3.45Å; F201-S205 PolarHBondContact O-N 2.94Å; F201-D260 HydrophobicContact CB-CB 4.49Å; F201-D260 HydrophobicContact CD1-CB 4.27Å; F201-D260 WeakPolarHBondContact CD1-O 2.91Å; F201-L264 HydrophobicContact CE2-CD2 3.81Å; F201-L264 HydrophobicContact CZ-CD2 3.95Å; F201-L264 HydrophobicContact CZ-CG 4.49Å; F201-I267 HydrophobicContact CD1-CD1 4.04Å; F201-I267 HydrophobicContact CE1-CD1 3.7Å; F201-I267 HydrophobicContact CZ-CD1 4.2Å
202	H	91.2	Very high	81.1	Confident	108 Å²	108	65.3 Å²	65.3	50%	0.5	35%	0.347	S	S	.	.	H	α-helix	trans	-65.5	-46.2	173.5	-178.4	-86.1	0	0	0	110.7	H199 L200 V204 S205 Y359	H199-H202 HydrophobicContact CB-CB 4.4Å; H199-H202 WeakPolarHBondContact O-CA 3.29Å; H199-H202 VanDerWaalsContact O-CB 3.3Å; H199-H202 WeakPolarHBondContact O-CB 3.31Å; H199-H202 PolarHBondContact O-N 2.99Å; L200-H202 VanDerWaalsContact C-N 3.3Å; L200-H202 PolarHBondContact O-N 3.44Å; H202-V204 PolarHBondContact O-N 3.01Å; H202-S205 WeakPolarHBondContact O-CB 2.95Å; H202-S205 PolarHBondContact O-N 2.73Å; H202-S205 PolarHBondContact O-OG 3.01Å; H202-Y359 PolarHBondContact CE1-OH 3.24Å; H202-Y359 AromaticContact ND1-CZ 3.9Å; H202-Y359 PolarHBondContact ND1-OH 3.35Å
203	T	91.5	Very high	82.7	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-56.7	-34.7	179.2	-55.9	0	0	0	0	112.6	S198 H199 L200 Y359 L362 I363	S198-T203 PolarHBondContact OG-OG1 3.04Å; H199-T203 PolarHBondContact O-N 3.03Å; H199-T203 VanDerWaalsContact O-N 3.08Å; H199-T203 PolarHBondContact O-OG1 3.48Å; L200-T203 WeakPolarHBondContact O-CB 3.42Å; L200-T203 PolarHBondContact O-N 3.5Å; L200-T203 VanDerWaalsContact O-N 3.11Å; T203-Y359 HydrophobicContact CG2-CD2 3.82Å; T203-Y359 HydrophobicContact CG2-CE2 4.46Å; T203-Y359 HydrophobicContact CG2-CG 3.9Å; T203-L362 HydrophobicContact CG2-CB 4.4Å; T203-L362 HydrophobicContact CG2-CD1 4.18Å; T203-I363 HydrophobicContact CG2-CD1 4.06Å; T203-I363 HydrophobicContact CG2-CG1 4.27Å
204	V	95.7	Very high	84.6	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-103.3	1.8	-177.9	-55.2	0	0	0	0	114.9	L200 F201 H202 R206 I207 L259 D260 I267 L271 I363	L200-V204 HydrophobicContact CD1-CG1 4.22Å; L200-V204 WeakPolarHBondContact O-CG2 3.33Å; L200-V204 PolarHBondContact O-N 2.78Å; F201-V204 PolarHBondContact O-N 2.81Å; H202-V204 PolarHBondContact O-N 3.01Å; V204-R206 PolarHBondContact O-N 2.03Å; V204-I207 HydrophobicContact CB-CD1 4.4Å; V204-I207 HydrophobicContact CG1-CD1 4.46Å; V204-I207 WeakPolarHBondContact O-CB 3.31Å; V204-I207 PolarHBondContact O-N 3.44Å; V204-L259 HydrophobicContact CB-CB 4.14Å; V204-L259 HydrophobicContact CB-CD2 3.9Å; V204-L259 HydrophobicContact CB-CG 4.05Å; V204-L259 HydrophobicContact CG1-CD2 4.01Å; V204-L259 HydrophobicContact CG2-CB 4.27Å; V204-L259 HydrophobicContact CG2-CD2 4.49Å; V204-L259 HydrophobicContact CG2-CG 4.15Å; V204-D260 HydrophobicContact CG2-CB 4.06Å; V204-I267 HydrophobicContact CG2-CD1 4.34Å; V204-L271 HydrophobicContact CG1-CD1 4.46Å; V204-I363 HydrophobicContact CG1-CD1 4.36Å
205	S	95.5	Very high	87	Confident	28 Å²	28	59.4 Å²	59.4	20%	0.196	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.1	-174.5	64.1	0	0	0	0	115.7	F201 H202 K258 D260	F201-S205 WeakPolarHBondContact O-CB 3.45Å; F201-S205 PolarHBondContact O-N 2.94Å; H202-S205 WeakPolarHBondContact O-CB 2.95Å; H202-S205 PolarHBondContact O-N 2.73Å; H202-S205 PolarHBondContact O-OG 3.01Å; S205-K258 WeakPolarHBondContact O-CD 3.45Å; S205-K258 PolarHBondContact O-NZ 3.34Å; S205-D260 VanDerWaalsContact CA-OD2 3.29Å; S205-D260 WeakPolarHBondContact CA-OD2 3.39Å; S205-D260 VanDerWaalsContact CB-OD2 3.27Å; S205-D260 WeakPolarHBondContact CB-OD2 3.37Å
206	R	96.3	Very high	89.2	Confident	22 Å²	22	55.6 Å²	55.6	8%	0.083	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	1.8	178.6	-59.8	-161.5	62.2	73.3	12	113.6	V204 E219 L357	V204-R206 PolarHBondContact O-N 2.03Å; R206-E219 VanDerWaalsContact CZ-O 3.31Å; R206-E219 IonicContact CZ-OE2 2.62Å; R206-E219 PolarHBondContact NE-O 3.2Å; R206-E219 VanDerWaalsContact NH2-CG 3.31Å; R206-E219 PolarHBondContact NH2-O 3.02Å; R206-E219 IonicContact NH2-OE2 3.34Å; R206-E219 PolarHBondContact NH2-OE2 3.49Å; R206-E219 PolarHBondContact O-N 2.81Å; R206-L357 WeakPolarHBondContact CD-O 3.42Å
207	I	98.5	Very high	91.4	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	119	-177.5	-62.2	-178.5	0	0	0	109.4	V204 L216 Y217 C218 K258 L259 I363	V204-I207 HydrophobicContact CB-CD1 4.4Å; V204-I207 HydrophobicContact CG1-CD1 4.46Å; V204-I207 WeakPolarHBondContact O-CB 3.31Å; V204-I207 PolarHBondContact O-N 3.44Å; I207-L216 HydrophobicContact CG2-CB 3.68Å; I207-L216 HydrophobicContact CG2-CD2 3.81Å; I207-L216 HydrophobicContact CG2-CG 4.2Å; I207-Y217 CarbonylContact C-O 3.46Å; I207-Y217 WeakPolarHBondContact CA-O 3.35Å; I207-C218 HydrophobicContact CG1-CB 4.1Å; I207-K258 CarbonylContact O-C 3.24Å; I207-K258 VanDerWaalsContact O-CA 3.27Å; I207-K258 WeakPolarHBondContact O-CA 3.48Å; I207-L259 HydrophobicContact CB-CB 3.95Å; I207-L259 HydrophobicContact CB-CD2 4.28Å; I207-L259 HydrophobicContact CD1-CD2 4.28Å; I207-L259 HydrophobicContact CG2-CB 4.02Å; I207-L259 HydrophobicContact CG2-CD2 3.99Å; I207-L259 PolarHBondContact O-N 3.13Å; I207-I363 HydrophobicContact CD1-CD1 3.42Å; I207-I363 VanDerWaalsContact CD1-CD1 3.42Å; I207-I363 HydrophobicContact CD1-CG2 4.4Å
208	Y	98.6	Very high	93.5	Very high	20 Å²	20	38.5 Å²	38.5	8%	0.078	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	145.5	169.3	-68.2	-81.7	0	0	0	110.7	L216 Y217 E219 K229 L232 L256 K257 K258	Y208-L216 WeakPolarHBondContact O-CA 3.32Å; Y208-Y217 HydrophobicContact CD2-CD1 4.08Å; Y208-Y217 PolarHBondContact N-O 2.7Å; Y208-Y217 PolarHBondContact O-N 2.82Å; Y208-E219 HydrophobicContact CD2-CB 4.14Å; Y208-E219 HydrophobicContact CE2-CB 3.72Å; Y208-E219 HydrophobicContact CE2-CG 4.17Å; Y208-E219 PolarHBondContact OH-OE2 3.04Å; Y208-K229 HydrophobicContact CE2-CG 4.45Å; Y208-K229 VanDerWaalsContact OH-CE 3.32Å; Y208-K229 WeakPolarHBondContact OH-CE 3.33Å; Y208-K229 PolarHBondContact OH-NZ 2.77Å; Y208-L232 HydrophobicContact CG-CD1 4.35Å; Y208-L256 HydrophobicContact CD1-CB 3.56Å; Y208-L256 HydrophobicContact CD1-CD1 4.16Å; Y208-L256 HydrophobicContact CE1-CB 3.95Å; Y208-L256 HydrophobicContact CE1-CD1 4.48Å; Y208-K257 WeakPolarHBondContact CA-O 3.46Å; Y208-K258 HydrophobicContact CD1-CG 3.92Å; Y208-K258 HydrophobicContact CE1-CD 4.44Å; Y208-K258 HydrophobicContact CE1-CG 3.75Å; Y208-K258 WeakPolarHBondContact OH-CE 3.45Å
209	V	98.5	Very high	95.2	Very high	8 Å²	8	37.5 Å²	37.5	5%	0.048	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.8	-177.5	-177.4	0	0	0	0	109.8	D211 L216 K257 L259 F262 Y274	V209-D211 WeakPolarHBondContact CG1-OD1 3.1Å; V209-L216 HydrophobicContact CB-CD2 4.35Å; V209-L216 HydrophobicContact CG1-CD2 4.37Å; V209-L216 HydrophobicContact CG2-CD2 3.72Å; V209-K257 HydrophobicContact CB-CB 4.48Å; V209-K257 PolarHBondContact N-O 3.27Å; V209-L259 HydrophobicContact CG2-CB 3.87Å; V209-L259 HydrophobicContact CG2-CD1 3.91Å; V209-L259 HydrophobicContact CG2-CG 4.49Å; V209-F262 HydrophobicContact CB-CE2 4.02Å; V209-F262 HydrophobicContact CB-CZ 4.37Å; V209-F262 HydrophobicContact CG1-CE2 4.19Å; V209-F262 HydrophobicContact CG1-CZ 4.13Å; V209-F262 HydrophobicContact CG2-CD2 4.34Å; V209-F262 HydrophobicContact CG2-CE2 3.67Å; V209-F262 HydrophobicContact CG2-CZ 4.43Å; V209-Y274 HydrophobicContact CG1-CE2 4.02Å
210	E	97.6	Very high	95.9	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.028	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	102.3	168.7	-158.7	-62.7	101.7	0	0	107.7	K212 H213 K214 I215 L232 L235 N236	E210-K212 WeakPolarHBondContact OE1-CB 3.34Å; E210-K212 PolarHBondContact OE1-N 2.93Å; E210-H213 WeakPolarHBondContact OE2-CB 3.17Å; E210-H213 IonicContact OE2-CE1 2.7Å; E210-H213 IonicContact OE2-CG 3.34Å; E210-H213 PolarHBondContact OE2-N 3.48Å; E210-H213 IonicContact OE2-ND1 3.25Å; E210-H213 PolarHBondContact OE2-ND1 2.05Å; E210-K214 WeakPolarHBondContact O-CA 3.37Å; E210-K214 PolarHBondContact O-N 3.01Å; E210-I215 HydrophobicContact CB-CB 4.14Å; E210-I215 HydrophobicContact CB-CD1 4.36Å; E210-I215 PolarHBondContact N-O 2.9Å; E210-I215 PolarHBondContact O-N 3.36Å; E210-L232 HydrophobicContact CB-CD2 4.02Å; E210-L232 HydrophobicContact CG-CD2 4.36Å; E210-L235 HydrophobicContact CG-CB 3.95Å; E210-N236 HydrophobicContact CG-CB 4.26Å
211	D	96.9	Very high	96.4	Very high	52 Å²	52	30.3 Å²	30.3	28%	0.278	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-25.5	-170.6	-67.2	-55.7	0	0	0	112.8	V209 K214 R270 Y274	V209-D211 WeakPolarHBondContact CG1-OD1 3.1Å; D211-K214 PolarHBondContact O-N 2.86Å; D211-R270 IonicContact OD1-CZ 3.71Å; D211-R270 VanDerWaalsContact OD1-CZ 3.25Å; D211-R270 IonicContact OD1-NE 3.66Å; D211-R270 PolarHBondContact OD1-NE 3Å; D211-R270 IonicContact OD1-NH2 2.79Å; D211-R270 PolarHBondContact OD1-NH2 3.42Å; D211-R270 IonicContact OD2-NH2 3.6Å; D211-Y274 WeakPolarHBondContact OD1-CE2 3.39Å; D211-Y274 PolarHBondContact OD1-OH 3Å
212	K	96	Very high	96.9	Very high	150 Å²	150	28.5 Å²	28.5	65%	0.652	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-43.3	-172.7	-170.3	-179.4	177.3	-178.8	0	112.3	E210 L235	E210-K212 WeakPolarHBondContact OE1-CB 3.34Å; E210-K212 PolarHBondContact OE1-N 2.93Å; K212-L235 WeakPolarHBondContact CD-O 3.44Å
213	H	95.8	Very high	97.2	Very high	36 Å²	36	23.3 Å²	23.3	17%	0.167	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	9.2	176	-51.4	80.4	0	0	0	111.9	E210 I215 I385	E210-H213 WeakPolarHBondContact OE2-CB 3.17Å; E210-H213 IonicContact OE2-CE1 2.7Å; E210-H213 IonicContact OE2-CG 3.34Å; E210-H213 PolarHBondContact OE2-N 3.48Å; E210-H213 IonicContact OE2-ND1 3.25Å; E210-H213 PolarHBondContact OE2-ND1 2.05Å; H213-I215 HydrophobicContact CB-CD1 3.92Å; H213-I215 HydrophobicContact CB-CG1 4.02Å; H213-I385 HydrophobicContact CB-CD1 4.35Å
214	K	96.2	Very high	97.4	Very high	116 Å²	116	24 Å²	24	50%	0.504	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	59	178.5	-58.8	-176.6	-179.6	-179.8	0	112.7	E210 D211 Y274 T275	E210-K214 WeakPolarHBondContact O-CA 3.37Å; E210-K214 PolarHBondContact O-N 3.01Å; D211-K214 PolarHBondContact O-N 2.86Å; K214-Y274 VanDerWaalsContact C-CD2 3.41Å; K214-Y274 HydrophobicContact CB-CD1 3.64Å; K214-Y274 HydrophobicContact CB-CD2 4.13Å; K214-Y274 HydrophobicContact CB-CE1 3.87Å; K214-Y274 HydrophobicContact CB-CE2 4.33Å; K214-Y274 HydrophobicContact CB-CG 3.76Å; K214-Y274 HydrophobicContact CD-CD1 4.33Å; K214-Y274 HydrophobicContact CD-CE1 4.19Å; K214-Y274 HydrophobicContact CG-CD1 4.03Å; K214-Y274 HydrophobicContact CG-CE1 3.77Å; K214-Y274 CarbonylContact O-C 3.48Å; K214-Y274 VanDerWaalsContact O-CA 3.22Å; K214-Y274 WeakPolarHBondContact O-CA 3.22Å; K214-Y274 WeakPolarHBondContact O-CB 3.48Å; K214-T275 PolarHBondContact O-N 3.36Å
215	I	97.5	Very high	97.4	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.4	-177.5	-50.3	164.3	0	0	0	110.7	E210 H213 L235 T275 F381 I385	E210-I215 HydrophobicContact CB-CB 4.14Å; E210-I215 HydrophobicContact CB-CD1 4.36Å; E210-I215 PolarHBondContact N-O 2.9Å; E210-I215 PolarHBondContact O-N 3.36Å; H213-I215 HydrophobicContact CB-CD1 3.92Å; H213-I215 HydrophobicContact CB-CG1 4.02Å; I215-L235 HydrophobicContact CD1-CD1 3.71Å; I215-T275 WeakPolarHBondContact CA-O 3.5Å; I215-F381 HydrophobicContact CD1-CE1 4.49Å; I215-F381 HydrophobicContact CG2-CE1 4.26Å; I215-F381 HydrophobicContact CG2-CZ 4.03Å; I215-I385 HydrophobicContact CD1-CD1 3.36Å; I215-I385 HydrophobicContact CG1-CD1 4.25Å; I215-I385 HydrophobicContact CG1-CG2 4.49Å
216	L	98.4	Very high	97.5	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	113.6	162.4	-67	-177.6	0	0	0	109.1	I207 Y208 V209 L259 R270 L271 Y274 T275 K276 A277	I207-L216 HydrophobicContact CG2-CB 3.68Å; I207-L216 HydrophobicContact CG2-CD2 3.81Å; I207-L216 HydrophobicContact CG2-CG 4.2Å; Y208-L216 WeakPolarHBondContact O-CA 3.32Å; V209-L216 HydrophobicContact CB-CD2 4.35Å; V209-L216 HydrophobicContact CG1-CD2 4.37Å; V209-L216 HydrophobicContact CG2-CD2 3.72Å; L216-L259 HydrophobicContact CD1-CD2 4Å; L216-L259 HydrophobicContact CD2-CD1 4.21Å; L216-L259 HydrophobicContact CD2-CD2 4.13Å; L216-R270 HydrophobicContact CD1-CB 4.24Å; L216-R270 HydrophobicContact CD2-CB 4.2Å; L216-L271 HydrophobicContact CD1-CD2 3.98Å; L216-Y274 HydrophobicContact CD2-CD2 4.12Å; L216-Y274 HydrophobicContact CG-CD2 4.18Å; L216-Y274 HydrophobicContact CG-CG 4.4Å; L216-T275 PolarHBondContact N-O 3.5Å; L216-K276 HydrophobicContact CB-CB 4.49Å; L216-K276 HydrophobicContact CB-CG 3.85Å; L216-K276 HydrophobicContact CD1-CD 4.35Å; L216-K276 HydrophobicContact CD1-CG 3.78Å; L216-K276 HydrophobicContact CG-CG 4.33Å; L216-K276 CarbonylContact O-C 3.31Å; L216-K276 WeakPolarHBondContact O-CA 3.41Å; L216-A277 PolarHBondContact O-N 2.97Å
217	Y	98.6	Very high	97.5	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.9	179.9	169.3	-104.8	0	0	0	110.4	I207 Y208 E219 C225 W228 L232 F279	I207-Y217 CarbonylContact C-O 3.46Å; I207-Y217 WeakPolarHBondContact CA-O 3.35Å; Y208-Y217 HydrophobicContact CD2-CD1 4.08Å; Y208-Y217 PolarHBondContact N-O 2.7Å; Y208-Y217 PolarHBondContact O-N 2.82Å; Y217-E219 HydrophobicContact CE1-CB 4.32Å; Y217-C225 WeakPolarHBondContact OH-CA 3.32Å; Y217-W228 HydrophobicContact CD1-CB 4.33Å; Y217-W228 HydrophobicContact CD2-CB 4.39Å; Y217-W228 HydrophobicContact CD2-CD2 4.32Å; Y217-W228 HydrophobicContact CD2-CG 4.24Å; Y217-W228 HydrophobicContact CE1-CB 3.67Å; Y217-W228 HydrophobicContact CE1-CG 4.36Å; Y217-W228 HydrophobicContact CE2-CB 3.73Å; Y217-W228 AromaticContact CE2-CD1 3.78Å; Y217-W228 AromaticContact CE2-CD2 3.94Å; Y217-W228 HydrophobicContact CE2-CD2 3.94Å; Y217-W228 AromaticContact CE2-CG 3.5Å; Y217-W228 HydrophobicContact CE2-CG 3.5Å; Y217-W228 AromaticContact CZ-CD1 3.88Å; Y217-W228 AromaticContact CZ-CG 3.59Å; Y217-W228 WeakPolarHBondContact OH-CB 3.5Å; Y217-L232 HydrophobicContact CD1-CD1 3.83Å; Y217-L232 HydrophobicContact CG-CD1 4.17Å; Y217-F279 HydrophobicContact CD2-CD2 4.42Å; Y217-F279 AromaticContact CE2-CD2 3.97Å; Y217-F279 HydrophobicContact CE2-CD2 3.97Å
218	C	98.6	Very high	97.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.4	173	-168.7	0	0	0	0	111.8	I207 V220 A277 V278 C358 Y365	I207-C218 HydrophobicContact CG1-CB 4.1Å; C218-V220 PolarHBondContact O-N 3.5Å; C218-A277 PolarHBondContact N-O 3.29Å; C218-V278 HydrophobicContact CB-CG2 4.43Å; C218-C358 HydrophobicContact CB-CB 3.93Å; C218-C358 WeakPolarHBondContact CB-SG 3.48Å; C218-C358 WeakPolarHBondContact SG-CA 3.38Å; C218-C358 WeakPolarHBondContact SG-CB 3.38Å; C218-C358 CovalentContact SG-SG 2.03Å; C218-C358 PolarHBondContact SG-SG 2.84Å; C218-Y365 HydrophobicContact CB-CE1 3.7Å; C218-Y365 WeakPolarHBondContact CB-OH 3.38Å; C218-Y365 PolarHBondContact SG-OH 2.71Å
219	E	98.2	Very high	97.5	Very high	13 Å²	13	23 Å²	23	6%	0.061	11%	0.112	C	C	.	.			trans	-78.9	110.1	179.7	-175.3	-169.8	-154.6	0	0	112.3	R206 Y208 Y217 C225 K229	R206-E219 VanDerWaalsContact CZ-O 3.31Å; R206-E219 IonicContact CZ-OE2 2.62Å; R206-E219 PolarHBondContact NE-O 3.2Å; R206-E219 VanDerWaalsContact NH2-CG 3.31Å; R206-E219 PolarHBondContact NH2-O 3.02Å; R206-E219 IonicContact NH2-OE2 3.34Å; R206-E219 PolarHBondContact NH2-OE2 3.49Å; R206-E219 PolarHBondContact O-N 2.81Å; Y208-E219 HydrophobicContact CD2-CB 4.14Å; Y208-E219 HydrophobicContact CE2-CB 3.72Å; Y208-E219 HydrophobicContact CE2-CG 4.17Å; Y208-E219 PolarHBondContact OH-OE2 3.04Å; Y217-E219 HydrophobicContact CE1-CB 4.32Å; E219-C225 HydrophobicContact CG-CB 3.87Å; E219-K229 WeakPolarHBondContact OE1-CE 3.24Å; E219-K229 IonicContact OE1-NZ 3.64Å; E219-K229 PolarHBondContact OE1-NZ 3.32Å; E219-K229 IonicContact OE2-NZ 2.7Å
220	V	98.5	Very high	97.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.			trans	-102.3	110.1	165.2	-179.6	0	0	0	0	109.2	C218 A223 C225 V278 F279 V354 C358	C218-V220 PolarHBondContact O-N 3.5Å; V220-A223 HydrophobicContact CB-CB 4.07Å; V220-A223 HydrophobicContact CG1-CB 3.87Å; V220-A223 PolarHBondContact O-N 3.33Å; V220-C225 WeakPolarHBondContact O-CB 3.01Å; V220-V278 HydrophobicContact CG2-CG2 3.82Å; V220-F279 WeakPolarHBondContact CB-O 3.44Å; V220-V354 HydrophobicContact CG1-CG2 3.78Å; V220-V354 HydrophobicContact CG2-CG1 3.93Å; V220-V354 HydrophobicContact CG2-CG2 4.43Å; V220-C358 VanDerWaalsContact CG2-SG 3.56Å
221	P	98.1	Very high	97.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	143.5	176.5	-24.2	36.2	0	0	0	111.3	A223 R286 I349	P221-A223 PolarHBondContact O-N 2.81Å; P221-R286 WeakPolarHBondContact O-CD 3.39Å; P221-R286 PolarHBondContact O-NH1 3.48Å; P221-R286 VanDerWaalsContact O-NH1 3.12Å; P221-I349 HydrophobicContact CG-CB 4.3Å; P221-I349 HydrophobicContact CG-CD1 4.14Å; P221-I349 HydrophobicContact CG-CG1 4.15Å
222	K	97.8	Very high	97.5	Very high	30 Å²	30	20.1 Å²	20.1	13%	0.13	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	12.6	-179.5	-46.6	-48.5	-169.9	-159	0	115.5	R281 R286 A290 D293	K222-R281 WeakPolarHBondContact O-CD 3.4Å; K222-R281 PolarHBondContact O-NH1 2.86Å; K222-R286 HydrophobicContact CB-CG 3.71Å; K222-A290 HydrophobicContact CG-CB 4.04Å; K222-D293 IonicContact NZ-OD1 2.99Å; K222-D293 PolarHBondContact NZ-OD1 3.38Å; K222-D293 IonicContact NZ-OD2 3.17Å; K222-D293 PolarHBondContact NZ-OD2 2.72Å
223	A	97.6	Very high	97.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	38.3	170.1	0	0	0	0	0	112.2	V220 P221 F279 R281	V220-A223 HydrophobicContact CB-CB 4.07Å; V220-A223 HydrophobicContact CG1-CB 3.87Å; V220-A223 PolarHBondContact O-N 3.33Å; P221-A223 PolarHBondContact O-N 2.81Å; A223-F279 WeakPolarHBondContact CB-O 3.28Å; A223-R281 HydrophobicContact CB-CB 3.95Å
224	G	96.1	Very high	97.7	Very high	16 Å²	16	12.9 Å²	12.9	17%	0.165	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	12.5	178.8	0	0	0	0	0	115.4	S226 N227 W228	G224-S226 VanDerWaalsContact C-N 3.34Å; G224-S226 PolarHBondContact O-N 3.43Å; G224-N227 PolarHBondContact O-N 3.04Å; G224-N227 VanDerWaalsContact O-N 3.11Å; G224-W228 PolarHBondContact O-N 3.29Å; G224-W228 VanDerWaalsContact O-N 3.12Å
225	C	96.4	Very high	97.7	Very high	11 Å²	11	7.6 Å²	7.6	7%	0.074	4%	0.044	C	C	.	.	H	α-helix	trans	-56.9	-35.7	-172.3	61.4	0	0	0	0	115.7	Y217 E219 V220 N227 W228 K229	Y217-C225 WeakPolarHBondContact OH-CA 3.32Å; E219-C225 HydrophobicContact CG-CB 3.87Å; V220-C225 WeakPolarHBondContact O-CB 3.01Å; C225-N227 PolarHBondContact O-N 3.42Å; C225-W228 PolarHBondContact O-N 3.18Å; C225-K229 WeakPolarHBondContact O-CG 3.38Å; C225-K229 PolarHBondContact O-N 3.32Å
226	S	96.6	Very high	97.6	Very high	16 Å²	16	10 Å²	10	11%	0.112	6%	0.057	C	C	.	.	H	α-helix	trans	-61.6	-44.9	176.8	-53.7	0	0	0	0	111.4	G224 K229 R230 H251 D398	G224-S226 VanDerWaalsContact C-N 3.34Å; G224-S226 PolarHBondContact O-N 3.43Å; S226-K229 PolarHBondContact O-N 2.82Å; S226-R230 WeakPolarHBondContact O-CG 3.38Å; S226-R230 PolarHBondContact O-N 3.24Å; S226-R230 VanDerWaalsContact O-N 3.08Å; S226-H251 PolarHBondContact OG-CE1 3.48Å; S226-H251 PolarHBondContact OG-NE2 3Å; S226-D398 WeakPolarHBondContact CB-OD2 3.39Å; S226-D398 PolarHBondContact OG-OD2 3.37Å
227	N	97.4	Very high	97.4	Very high	14 Å²	14	12.8 Å²	12.8	8%	0.075	9%	0.086	C	C	.	.	H	α-helix	trans	-71.2	-33.9	180	-71.8	-1.1	0	0	0	111.5	G224 C225 R230 I231 F393 P394 F396	G224-N227 PolarHBondContact O-N 3.04Å; G224-N227 VanDerWaalsContact O-N 3.11Å; C225-N227 PolarHBondContact O-N 3.42Å; N227-R230 WeakPolarHBondContact O-CB 3.09Å; N227-R230 PolarHBondContact O-N 3.22Å; N227-R230 PolarHBondContact OD1-NH1 2.96Å; N227-I231 WeakPolarHBondContact O-CG1 3.49Å; N227-I231 PolarHBondContact O-N 3.08Å; N227-F393 HydrophobicContact CB-CE1 4.07Å; N227-F393 HydrophobicContact CB-CE2 3.94Å; N227-F393 HydrophobicContact CB-CZ 3.5Å; N227-P394 HydrophobicContact CB-CG 4.35Å; N227-P394 PolarHBondContact ND2-O 2.72Å; N227-F396 PolarHBondContact ND2-O 3.46Å; N227-F396 VanDerWaalsContact ND2-O 3.12Å
228	W	98	Very high	97.2	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-61.2	-45.3	169.9	-86	110.1	0	0	0	112.8	Y217 G224 C225 R230 I231 L232 F279 A378 F381 F393	Y217-W228 HydrophobicContact CD1-CB 4.33Å; Y217-W228 HydrophobicContact CD2-CB 4.39Å; Y217-W228 HydrophobicContact CD2-CD2 4.32Å; Y217-W228 HydrophobicContact CD2-CG 4.24Å; Y217-W228 HydrophobicContact CE1-CB 3.67Å; Y217-W228 HydrophobicContact CE1-CG 4.36Å; Y217-W228 HydrophobicContact CE2-CB 3.73Å; Y217-W228 AromaticContact CE2-CD1 3.78Å; Y217-W228 AromaticContact CE2-CD2 3.94Å; Y217-W228 HydrophobicContact CE2-CD2 3.94Å; Y217-W228 AromaticContact CE2-CG 3.5Å; Y217-W228 HydrophobicContact CE2-CG 3.5Å; Y217-W228 AromaticContact CZ-CD1 3.88Å; Y217-W228 AromaticContact CZ-CG 3.59Å; Y217-W228 WeakPolarHBondContact OH-CB 3.5Å; G224-W228 PolarHBondContact O-N 3.29Å; G224-W228 VanDerWaalsContact O-N 3.12Å; C225-W228 PolarHBondContact O-N 3.18Å; W228-R230 VanDerWaalsContact C-N 3.29Å; W228-R230 PolarHBondContact O-N 3.47Å; W228-I231 HydrophobicContact CE3-CB 4.32Å; W228-I231 HydrophobicContact CE3-CG2 4.11Å; W228-I231 HydrophobicContact CZ3-CG2 4Å; W228-I231 WeakPolarHBondContact O-CB 3.14Å; W228-I231 PolarHBondContact O-N 3.23Å; W228-I231 VanDerWaalsContact O-N 3.11Å; W228-L232 WeakPolarHBondContact O-CG 3.45Å; W228-L232 PolarHBondContact O-N 3.49Å; W228-F279 HydrophobicContact CD2-CD2 4.31Å; W228-F279 HydrophobicContact CD2-CE2 4.29Å; W228-F279 AromaticContact CE2-CD1 3.95Å; W228-F279 AromaticContact CE2-CD2 3.57Å; W228-F279 AromaticContact CE2-CE1 3.85Å; W228-F279 AromaticContact CE2-CE2 3.46Å; W228-F279 VanDerWaalsContact CE2-CE2 3.46Å; W228-F279 AromaticContact CE2-CG 3.84Å; W228-F279 AromaticContact CE2-CZ 3.64Å; W228-F279 HydrophobicContact CH2-CE1 4.4Å; W228-F279 AromaticContact CH2-CE2 3.75Å; W228-F279 HydrophobicContact CH2-CE2 3.75Å; W228-F279 AromaticContact CH2-CZ 3.63Å; W228-F279 HydrophobicContact CH2-CZ 3.63Å; W228-F279 AromaticContact CZ2-CD1 3.98Å; W228-F279 HydrophobicContact CZ2-CD1 3.98Å; W228-F279 AromaticContact CZ2-CD2 3.81Å; W228-F279 HydrophobicContact CZ2-CD2 3.81Å; W228-F279 AromaticContact CZ2-CE1 3.38Å; W228-F279 HydrophobicContact CZ2-CE1 3.38Å; W228-F279 AromaticContact CZ2-CE2 3.19Å; W228-F279 HydrophobicContact CZ2-CE2 3.19Å; W228-F279 HydrophobicContact CZ2-CG 4.18Å; W228-F279 AromaticContact CZ2-CZ 2.97Å; W228-F279 HydrophobicContact CZ2-CZ 2.97Å; W228-F279 HydrophobicContact CZ3-CE2 4.47Å; W228-F279 AromaticContact NE1-CD1 3.46Å; W228-F279 AromaticContact NE1-CD2 3.45Å; W228-F279 AromaticContact NE1-CE1 3.82Å; W228-F279 AromaticContact NE1-CE2 3.83Å; W228-F279 AromaticContact NE1-CG 3.28Å; W228-F279 VanDerWaalsContact NE1-CG 3.28Å; W228-A378 HydrophobicContact CH2-CB 3.86Å; W228-A378 HydrophobicContact CZ2-CB 3.38Å; W228-F381 HydrophobicContact CH2-CB 4.46Å; W228-F381 AromaticContact CH2-CD1 3.69Å; W228-F381 HydrophobicContact CH2-CD1 3.69Å; W228-F381 HydrophobicContact CH2-CE1 4.43Å; W228-F381 HydrophobicContact CH2-CG 4.41Å; W228-F381 AromaticContact CZ3-CD1 3.91Å; W228-F381 HydrophobicContact CZ3-CD1 3.91Å; W228-F381 HydrophobicContact CZ3-CE1 4.25Å; W228-F393 AromaticContact CD1-CE2 3.78Å; W228-F393 HydrophobicContact CD2-CD2 4.46Å; W228-F393 AromaticContact CD2-CE2 3.9Å; W228-F393 HydrophobicContact CD2-CE2 3.9Å; W228-F393 AromaticContact CE2-CE2 3.58Å; W228-F393 AromaticContact CG-CE2 3.96Å; W228-F393 HydrophobicContact CG-CE2 3.96Å; W228-F393 HydrophobicContact CH2-CD2 4.48Å; W228-F393 HydrophobicContact CZ2-CD2 4.03Å; W228-F393 HydrophobicContact CZ2-CE2 4.02Å; W228-F393 AromaticContact NE1-CE2 3.57Å
229	K	98	Very high	97	Very high	6 Å²	6	18.5 Å²	18.5	3%	0.026	12%	0.12	C	C	.	.	H	α-helix	trans	-60	-39.2	174.9	-71.2	177.8	-173	-177.6	0	112.1	Y208 E219 C225 S226 I231 L232 M233 V250 H251 L256	Y208-K229 HydrophobicContact CE2-CG 4.45Å; Y208-K229 VanDerWaalsContact OH-CE 3.32Å; Y208-K229 WeakPolarHBondContact OH-CE 3.33Å; Y208-K229 PolarHBondContact OH-NZ 2.77Å; E219-K229 WeakPolarHBondContact OE1-CE 3.24Å; E219-K229 IonicContact OE1-NZ 3.64Å; E219-K229 PolarHBondContact OE1-NZ 3.32Å; E219-K229 IonicContact OE2-NZ 2.7Å; C225-K229 WeakPolarHBondContact O-CG 3.38Å; C225-K229 PolarHBondContact O-N 3.32Å; S226-K229 PolarHBondContact O-N 2.82Å; K229-I231 VanDerWaalsContact C-N 3.35Å; K229-I231 PolarHBondContact O-N 3.35Å; K229-L232 PolarHBondContact O-N 3.37Å; K229-M233 WeakPolarHBondContact O-CG 3.26Å; K229-M233 PolarHBondContact O-N 3.19Å; K229-V250 HydrophobicContact CB-CG1 3.43Å; K229-V250 VanDerWaalsContact CB-CG1 3.43Å; K229-V250 HydrophobicContact CD-CG1 3.46Å; K229-V250 VanDerWaalsContact CD-CG1 3.46Å; K229-V250 HydrophobicContact CG-CG1 4.09Å; K229-H251 PolarHBondContact NZ-ND1 3.36Å; K229-L256 HydrophobicContact CB-CD1 3.73Å; K229-L256 HydrophobicContact CG-CD1 3.9Å
230	R	97.9	Very high	96.8	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.019	16%	0.156	C	C	.	.	H	α-helix	trans	-59.9	-44.5	172.6	-66.4	175.5	167.5	97.5	10.9	112.2	S226 N227 W228 L232 M233 V234 A242 I245 V250 D398	S226-R230 WeakPolarHBondContact O-CG 3.38Å; S226-R230 PolarHBondContact O-N 3.24Å; S226-R230 VanDerWaalsContact O-N 3.08Å; N227-R230 WeakPolarHBondContact O-CB 3.09Å; N227-R230 PolarHBondContact O-N 3.22Å; N227-R230 PolarHBondContact OD1-NH1 2.96Å; W228-R230 VanDerWaalsContact C-N 3.29Å; W228-R230 PolarHBondContact O-N 3.47Å; R230-L232 VanDerWaalsContact C-N 3.34Å; R230-L232 PolarHBondContact O-N 3.15Å; R230-M233 WeakPolarHBondContact O-CB 3.04Å; R230-M233 PolarHBondContact O-N 2.67Å; R230-V234 WeakPolarHBondContact O-CG2 3.5Å; R230-V234 PolarHBondContact O-N 3.48Å; R230-A242 HydrophobicContact CB-CB 3.86Å; R230-A242 WeakPolarHBondContact CD-O 3.19Å; R230-I245 HydrophobicContact CB-CD1 4.06Å; R230-I245 HydrophobicContact CG-CB 4.03Å; R230-I245 HydrophobicContact CG-CD1 4.27Å; R230-I245 HydrophobicContact CG-CG2 4.26Å; R230-I245 PolarHBondContact NE-O 3.14Å; R230-I245 PolarHBondContact NH2-O 2.91Å; R230-V250 HydrophobicContact CG-CG2 3.43Å; R230-V250 VanDerWaalsContact CG-CG2 3.43Å; R230-D398 IonicContact CZ-OD1 3.97Å; R230-D398 IonicContact NH1-OD1 3.67Å; R230-D398 PolarHBondContact NH1-OD1 3.27Å; R230-D398 IonicContact NH2-OD1 2.67Å; R230-D398 PolarHBondContact NH2-OD1 3.36Å
231	I	98.1	Very high	96.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.2	-46.9	174.3	-73	-60.6	0	0	0	110.8	N227 W228 K229 M233 V234 L235 A242 L382 L391 F393 P394	N227-I231 WeakPolarHBondContact O-CG1 3.49Å; N227-I231 PolarHBondContact O-N 3.08Å; W228-I231 HydrophobicContact CE3-CB 4.32Å; W228-I231 HydrophobicContact CE3-CG2 4.11Å; W228-I231 HydrophobicContact CZ3-CG2 4Å; W228-I231 WeakPolarHBondContact O-CB 3.14Å; W228-I231 PolarHBondContact O-N 3.23Å; W228-I231 VanDerWaalsContact O-N 3.11Å; K229-I231 VanDerWaalsContact C-N 3.35Å; K229-I231 PolarHBondContact O-N 3.35Å; I231-M233 VanDerWaalsContact C-N 3.27Å; I231-M233 PolarHBondContact O-N 2.88Å; I231-V234 PolarHBondContact O-N 2.9Å; I231-L235 HydrophobicContact CG2-CD1 3.73Å; I231-L235 HydrophobicContact CG2-CG 4.18Å; I231-L235 WeakPolarHBondContact O-CB 3.48Å; I231-L235 WeakPolarHBondContact O-CG 3.12Å; I231-L235 PolarHBondContact O-N 3.11Å; I231-A242 HydrophobicContact CD1-CB 4.46Å; I231-L382 HydrophobicContact CD1-CD1 4.35Å; I231-L382 HydrophobicContact CG2-CD2 3.78Å; I231-L391 HydrophobicContact CD1-CD1 3.59Å; I231-L391 HydrophobicContact CD1-CD2 4.22Å; I231-L391 HydrophobicContact CD1-CG 3.9Å; I231-F393 HydrophobicContact CG1-CD2 4.16Å; I231-P394 HydrophobicContact CD1-CG 4.49Å
232	L	98.1	Very high	96.4	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-36.9	177.3	-60.8	175.4	0	0	0	112	Y208 E210 Y217 W228 K229 R230 L235 N236 L256	Y208-L232 HydrophobicContact CG-CD1 4.35Å; E210-L232 HydrophobicContact CB-CD2 4.02Å; E210-L232 HydrophobicContact CG-CD2 4.36Å; Y217-L232 HydrophobicContact CD1-CD1 3.83Å; Y217-L232 HydrophobicContact CG-CD1 4.17Å; W228-L232 WeakPolarHBondContact O-CG 3.45Å; W228-L232 PolarHBondContact O-N 3.49Å; K229-L232 PolarHBondContact O-N 3.37Å; R230-L232 VanDerWaalsContact C-N 3.34Å; R230-L232 PolarHBondContact O-N 3.15Å; L232-L235 PolarHBondContact O-N 3.05Å; L232-N236 WeakPolarHBondContact O-CB 3.35Å; L232-N236 PolarHBondContact O-N 3Å; L232-N236 PolarHBondContact O-OD1 3.32Å; L232-L256 HydrophobicContact CB-CD1 4Å; L232-L256 HydrophobicContact CB-CD2 3.82Å; L232-L256 HydrophobicContact CD1-CD1 4.17Å
233	M	97.6	Very high	96.2	Very high	11 Å²	11	29.7 Å²	29.7	5%	0.054	19%	0.186	C	C	.	.	H	α-helix	trans	-68.4	-29.3	173.8	-68.6	176.1	70.5	0	0	113.3	K229 R230 I231 N236 L238 A239 I245 V250 H255 L256	K229-M233 WeakPolarHBondContact O-CG 3.26Å; K229-M233 PolarHBondContact O-N 3.19Å; R230-M233 WeakPolarHBondContact O-CB 3.04Å; R230-M233 PolarHBondContact O-N 2.67Å; I231-M233 VanDerWaalsContact C-N 3.27Å; I231-M233 PolarHBondContact O-N 2.88Å; M233-N236 VanDerWaalsContact CA-OD1 3.22Å; M233-N236 WeakPolarHBondContact CA-OD1 3.45Å; M233-N236 PolarHBondContact O-OD1 2.96Å; M233-L238 HydrophobicContact CB-CB 4.37Å; M233-L238 HydrophobicContact CG-CD1 4.3Å; M233-L238 WeakPolarHBondContact O-CA 3.2Å; M233-L238 WeakPolarHBondContact O-CB 3.06Å; M233-L238 PolarHBondContact O-N 2.89Å; M233-A239 PolarHBondContact O-N 3.07Å; M233-I245 HydrophobicContact CB-CD1 3.88Å; M233-I245 HydrophobicContact CE-CD1 4.38Å; M233-I245 HydrophobicContact CE-CG2 3.83Å; M233-I245 HydrophobicContact SD-CD1 4.29Å; M233-I245 HydrophobicContact SD-CG2 3.84Å; M233-V250 HydrophobicContact SD-CG2 4.24Å; M233-H255 HydrophobicContact CE-CB 4.23Å; M233-L256 HydrophobicContact CG-CD1 4.28Å; M233-L256 HydrophobicContact CG-CD2 3.75Å; M233-L256 HydrophobicContact CG-CG 4Å
234	V	97.5	Very high	95.8	Very high	22 Å²	22	36.1 Å²	36.1	13%	0.133	22%	0.22	C	C	.	.	H	α-helix	trans	-77.6	-44.4	173.4	176.6	0	0	0	0	110.3	R230 I231 N236 G237 A239 A242 I245 L391	R230-V234 WeakPolarHBondContact O-CG2 3.5Å; R230-V234 PolarHBondContact O-N 3.48Å; I231-V234 PolarHBondContact O-N 2.9Å; V234-N236 VanDerWaalsContact C-N 3.31Å; V234-N236 PolarHBondContact O-N 2.96Å; V234-G237 PolarHBondContact O-N 3.3Å; V234-A239 WeakPolarHBondContact CA-O 3.23Å; V234-A239 HydrophobicContact CG2-CB 4.23Å; V234-A242 HydrophobicContact CG2-CB 4.11Å; V234-I245 HydrophobicContact CG2-CD1 4.3Å; V234-L391 HydrophobicContact CB-CD1 4.2Å; V234-L391 HydrophobicContact CB-CD2 4.36Å; V234-L391 HydrophobicContact CG1-CD1 3.78Å; V234-L391 HydrophobicContact CG1-CD2 3.99Å; V234-L391 HydrophobicContact CG1-CG 4.48Å
235	L	97.3	Very high	95.7	Very high	5 Å²	5	36 Å²	36	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-39.4	-179.4	-71.7	174.4	0	0	0	112.4	E210 K212 I215 I231 L232 G237 L382 I385 A387 L391	E210-L235 HydrophobicContact CG-CB 3.95Å; K212-L235 WeakPolarHBondContact CD-O 3.44Å; I215-L235 HydrophobicContact CD1-CD1 3.71Å; I231-L235 HydrophobicContact CG2-CD1 3.73Å; I231-L235 HydrophobicContact CG2-CG 4.18Å; I231-L235 WeakPolarHBondContact O-CB 3.48Å; I231-L235 WeakPolarHBondContact O-CG 3.12Å; I231-L235 PolarHBondContact O-N 3.11Å; L232-L235 PolarHBondContact O-N 3.05Å; L235-G237 PolarHBondContact O-N 2.87Å; L235-L382 HydrophobicContact CD1-CD2 4.39Å; L235-I385 HydrophobicContact CD1-CD1 3.95Å; L235-A387 HydrophobicContact CD2-CB 3.71Å; L235-L391 HydrophobicContact CD2-CD2 3.57Å; L235-L391 HydrophobicContact CG-CD2 3.93Å
236	N	94.8	Very high	95.6	Very high	54 Å²	54	38.8 Å²	38.8	29%	0.289	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	2.9	177.6	75	-1.7	0	0	0	113.9	E210 L232 M233 V234 L238	E210-N236 HydrophobicContact CG-CB 4.26Å; L232-N236 WeakPolarHBondContact O-CB 3.35Å; L232-N236 PolarHBondContact O-N 3Å; L232-N236 PolarHBondContact O-OD1 3.32Å; M233-N236 VanDerWaalsContact CA-OD1 3.22Å; M233-N236 WeakPolarHBondContact CA-OD1 3.45Å; M233-N236 PolarHBondContact O-OD1 2.96Å; V234-N236 VanDerWaalsContact C-N 3.31Å; V234-N236 PolarHBondContact O-N 2.96Å; N236-L238 WeakPolarHBondContact ND2-CD1 3.46Å; N236-L238 WeakPolarHBondContact OD1-CB 3.21Å; N236-L238 WeakPolarHBondContact OD1-CD1 3.06Å; N236-L238 WeakPolarHBondContact OD1-CG 3.06Å; N236-L238 PolarHBondContact OD1-N 3.4Å
237	G	94.7	Very high	95.4	Very high	59 Å²	59	39.8 Å²	39.8	61%	0.608	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	13.6	175.8	0	0	0	0	0	115.5	V234 L235 A239	V234-G237 PolarHBondContact O-N 3.3Å; L235-G237 PolarHBondContact O-N 2.87Å; G237-A239 VanDerWaalsContact C-N 3.32Å
238	L	93.9	Very high	95.2	Very high	95 Å²	95	43.6 Å²	43.6	50%	0.497	26%	0.258	S	S	.	.	S	Bend	trans	-77.2	-18.3	175.9	-65.8	173	0	0	0	113.5	M233 N236 H255	M233-L238 HydrophobicContact CB-CB 4.37Å; M233-L238 HydrophobicContact CG-CD1 4.3Å; M233-L238 WeakPolarHBondContact O-CA 3.2Å; M233-L238 WeakPolarHBondContact O-CB 3.06Å; M233-L238 PolarHBondContact O-N 2.89Å; N236-L238 WeakPolarHBondContact ND2-CD1 3.46Å; N236-L238 WeakPolarHBondContact OD1-CB 3.21Å; N236-L238 WeakPolarHBondContact OD1-CD1 3.06Å; N236-L238 WeakPolarHBondContact OD1-CG 3.06Å; N236-L238 PolarHBondContact OD1-N 3.4Å; L238-H255 HydrophobicContact CD1-CB 3.76Å
239	A	94.8	Very high	95	Very high	27 Å²	27	44.8 Å²	44.8	22%	0.223	27%	0.268	C	S	.	.			trans	-147.9	149.8	178	0	0	0	0	0	111.1	M233 V234 G237 I245	M233-A239 PolarHBondContact O-N 3.07Å; V234-A239 WeakPolarHBondContact CA-O 3.23Å; V234-A239 HydrophobicContact CG2-CB 4.23Å; G237-A239 VanDerWaalsContact C-N 3.32Å; A239-I245 HydrophobicContact CB-CD1 3.58Å; A239-I245 HydrophobicContact CB-CG1 3.91Å
240	S	93.1	Very high	94.8	Very high	118 Å²	118	45 Å²	45	83%	0.825	27%	0.27	S	S	*	.	S	Bend	trans	-80.5	-23.6	175.5	55.6	0	0	0	0	113.4
241	S	94.3	Very high	94.5	Very high	37 Å²	37	47.4 Å²	47.4	26%	0.259	28%	0.281	S	S	.	.			trans	-148.9	141.8	-178.3	175.3	0	0	0	0	110.8	Y243	S241-Y243 PolarHBondContact O-N 3.21Å; S241-Y243 PolarHBondContact OG-N 3.43Å
242	A	94.5	Very high	94.1	Very high	2 Å²	2	54.9 Å²	54.9	2%	0.017	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-70.2	-22.6	175.7	0	0	0	0	0	112.5	R230 I231 V234 N244 P394	R230-A242 HydrophobicContact CB-CB 3.86Å; R230-A242 WeakPolarHBondContact CD-O 3.19Å; I231-A242 HydrophobicContact CD1-CB 4.46Å; V234-A242 HydrophobicContact CG2-CB 4.11Å; A242-N244 VanDerWaalsContact C-N 3.28Å; A242-N244 PolarHBondContact O-N 2.89Å; A242-P394 HydrophobicContact CB-CG 3.44Å; A242-P394 VanDerWaalsContact CB-CG 3.44Å
243	Y	92.7	Very high	93.6	Very high	122 Å²	122	56.2 Å²	56.2	48%	0.478	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-70.5	-22.9	-178.3	-70.7	-92.7	0	0	0	113.4	S241 F396	S241-Y243 PolarHBondContact O-N 3.21Å; S241-Y243 PolarHBondContact OG-N 3.43Å; Y243-F396 AromaticContact CD1-CD1 3.53Å; Y243-F396 HydrophobicContact CD1-CD1 3.53Å; Y243-F396 AromaticContact CD1-CE1 3.67Å; Y243-F396 HydrophobicContact CD1-CE1 3.67Å; Y243-F396 AromaticContact CE1-CD1 3.58Å; Y243-F396 HydrophobicContact CE1-CD1 3.58Å; Y243-F396 HydrophobicContact CE1-CE1 4.06Å; Y243-F396 HydrophobicContact CG-CD1 4.4Å; Y243-F396 HydrophobicContact CG-CE1 4.11Å
244	N	90.1	Very high	93.2	Very high	135 Å²	135	65.1 Å²	65.1	72%	0.722	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-95.9	8.7	-175.7	-64.8	-4.4	0	0	0	113.2	A242	A242-N244 VanDerWaalsContact C-N 3.28Å; A242-N244 PolarHBondContact O-N 2.89Å
245	I	93.9	Very high	92.9	Very high	14 Å²	14	68.5 Å²	68.5	7%	0.072	38%	0.378	C	S	.	.			trans	-102.9	116.4	-176.2	-49	177.4	0	0	0	109.5	R230 M233 V234 A239 A249 V250	R230-I245 HydrophobicContact CB-CD1 4.06Å; R230-I245 HydrophobicContact CG-CB 4.03Å; R230-I245 HydrophobicContact CG-CD1 4.27Å; R230-I245 HydrophobicContact CG-CG2 4.26Å; R230-I245 PolarHBondContact NE-O 3.14Å; R230-I245 PolarHBondContact NH2-O 2.91Å; M233-I245 HydrophobicContact CB-CD1 3.88Å; M233-I245 HydrophobicContact CE-CD1 4.38Å; M233-I245 HydrophobicContact CE-CG2 3.83Å; M233-I245 HydrophobicContact SD-CD1 4.29Å; M233-I245 HydrophobicContact SD-CG2 3.84Å; V234-I245 HydrophobicContact CG2-CD1 4.3Å; A239-I245 HydrophobicContact CB-CD1 3.58Å; A239-I245 HydrophobicContact CB-CG1 3.91Å; I245-A249 HydrophobicContact CG2-CB 3.99Å; I245-V250 HydrophobicContact CG2-CG2 3.62Å
246	S	94.4	Very high	92.8	Very high	68 Å²	68	69.4 Å²	69.4	48%	0.476	38%	0.382	S	S	.	.			trans	-67.2	161.4	-179.8	73.3	0	0	0	0	112.9	D248 A249 V250	S246-D248 VanDerWaalsContact C-N 3.27Å; S246-D248 PolarHBondContact O-N 2.92Å; S246-A249 PolarHBondContact O-N 2.98Å; S246-A249 WeakPolarHBondContact OG-CB 3.37Å; S246-A249 PolarHBondContact OG-N 3.14Å; S246-V250 WeakPolarHBondContact O-CG2 3.49Å; S246-V250 PolarHBondContact O-N 3.34Å
247	H	93.1	Very high	92.9	Very high	37 Å²	37	72.4 Å²	72.4	17%	0.171	39%	0.393	C	S	.	.	H	α-helix	trans	-55.9	-44.4	173.7	178.6	79.1	0	0	0	111.6	V250 H251 D398 R399	H247-V250 WeakPolarHBondContact O-CB 3.46Å; H247-V250 PolarHBondContact O-N 2.9Å; H247-H251 AromaticContact CE1-CD2 3.2Å; H247-H251 PolarHBondContact CE1-CD2 3.06Å; H247-H251 AromaticContact CE1-NE2 3.5Å; H247-H251 AromaticContact CG-CD2 3.97Å; H247-H251 AromaticContact ND1-CD2 3.41Å; H247-H251 PolarHBondContact ND1-CD2 2.8Å; H247-H251 AromaticContact ND1-NE2 3.69Å; H247-H251 AromaticContact NE2-CD2 3.7Å; H247-H251 PolarHBondContact O-CD2 2.59Å; H247-H251 VanDerWaalsContact O-CD2 3.27Å; H247-H251 PolarHBondContact O-N 2.99Å; H247-H251 VanDerWaalsContact O-N 3.15Å; H247-D398 IonicContact CE1-OD2 2.71Å; H247-D398 PolarHBondContact CE1-OD2 3.13Å; H247-D398 IonicContact CG-OD2 2.72Å; H247-D398 IonicContact ND1-OD1 3.43Å; H247-D398 IonicContact ND1-OD2 3.88Å; H247-D398 PolarHBondContact ND1-OD2 2.94Å; H247-R399 VanDerWaalsContact CE1-CD 3.45Å; H247-R399 WeakPolarHBondContact CE1-CD 3.45Å; H247-R399 PolarHBondContact NE2-NH1 2.91Å
248	D	93.3	Very high	93.1	Very high	95 Å²	95	73 Å²	73	51%	0.508	38%	0.379	S	S	.	.	H	α-helix	trans	-69.7	-37.6	-174.9	-65.2	-18.4	0	0	0	112.4	S246 V250 H251 Y252 G253	S246-D248 VanDerWaalsContact C-N 3.27Å; S246-D248 PolarHBondContact O-N 2.92Å; D248-V250 VanDerWaalsContact C-N 3.27Å; D248-V250 PolarHBondContact O-N 3.02Å; D248-H251 PolarHBondContact O-N 2.95Å; D248-Y252 HydrophobicContact CB-CD2 4Å; D248-Y252 WeakPolarHBondContact O-CA 3.45Å; D248-Y252 WeakPolarHBondContact O-CB 3.48Å; D248-Y252 PolarHBondContact O-N 2.9Å; D248-G253 PolarHBondContact O-N 3.45Å
249	A	93.5	Very high	93.3	Very high	26 Å²	26	68.5 Å²	68.5	22%	0.215	36%	0.355	C	S	.	.	H	α-helix	trans	-59.3	-41.5	174	0	0	0	0	0	111.3	I245 S246 G253 H255	I245-A249 HydrophobicContact CG2-CB 3.99Å; S246-A249 PolarHBondContact O-N 2.98Å; S246-A249 WeakPolarHBondContact OG-CB 3.37Å; S246-A249 PolarHBondContact OG-N 3.14Å; A249-G253 PolarHBondContact O-N 2.88Å; A249-H255 PolarHBondContact O-CD2 2.94Å; A249-H255 VanDerWaalsContact O-CD2 3.32Å
250	V	93.4	Very high	93.3	Very high	12 Å²	12	69.7 Å²	69.7	7%	0.073	36%	0.358	C	S	.	.	H	α-helix	trans	-67.7	-37.3	-179	168.5	0	0	0	0	113.1	K229 R230 M233 I245 S246 H247 D248	K229-V250 HydrophobicContact CB-CG1 3.43Å; K229-V250 VanDerWaalsContact CB-CG1 3.43Å; K229-V250 HydrophobicContact CD-CG1 3.46Å; K229-V250 VanDerWaalsContact CD-CG1 3.46Å; K229-V250 HydrophobicContact CG-CG1 4.09Å; R230-V250 HydrophobicContact CG-CG2 3.43Å; R230-V250 VanDerWaalsContact CG-CG2 3.43Å; M233-V250 HydrophobicContact SD-CG2 4.24Å; I245-V250 HydrophobicContact CG2-CG2 3.62Å; S246-V250 WeakPolarHBondContact O-CG2 3.49Å; S246-V250 PolarHBondContact O-N 3.34Å; H247-V250 WeakPolarHBondContact O-CB 3.46Å; H247-V250 PolarHBondContact O-N 2.9Å; D248-V250 VanDerWaalsContact C-N 3.27Å; D248-V250 PolarHBondContact O-N 3.02Å
251	H	91.8	Very high	93.5	Very high	55 Å²	55	67.9 Å²	67.9	26%	0.255	35%	0.345	S	S	.	.	H	α-helix	trans	-104.8	-29.6	-171.4	-67.4	-68.6	0	0	0	114.5	S226 K229 H247 D248 D398	S226-H251 PolarHBondContact OG-CE1 3.48Å; S226-H251 PolarHBondContact OG-NE2 3Å; K229-H251 PolarHBondContact NZ-ND1 3.36Å; H247-H251 AromaticContact CE1-CD2 3.2Å; H247-H251 PolarHBondContact CE1-CD2 3.06Å; H247-H251 AromaticContact CE1-NE2 3.5Å; H247-H251 AromaticContact CG-CD2 3.97Å; H247-H251 AromaticContact ND1-CD2 3.41Å; H247-H251 PolarHBondContact ND1-CD2 2.8Å; H247-H251 AromaticContact ND1-NE2 3.69Å; H247-H251 AromaticContact NE2-CD2 3.7Å; H247-H251 PolarHBondContact O-CD2 2.59Å; H247-H251 VanDerWaalsContact O-CD2 3.27Å; H247-H251 PolarHBondContact O-N 2.99Å; H247-H251 VanDerWaalsContact O-N 3.15Å; D248-H251 PolarHBondContact O-N 2.95Å; H251-D398 IonicContact NE2-OD2 2.84Å
252	Y	90.4	Very high	93.7	Very high	156 Å²	156	67.8 Å²	67.8	61%	0.612	34%	0.34	S	S	*	.	H	α-helix	trans	-117	-15.8	-173.8	-50.3	-61.6	0	0	0	113.5	D248 K254	D248-Y252 HydrophobicContact CB-CD2 4Å; D248-Y252 WeakPolarHBondContact O-CA 3.45Å; D248-Y252 WeakPolarHBondContact O-CB 3.48Å; D248-Y252 PolarHBondContact O-N 2.9Å; Y252-K254 PolarHBondContact O-N 2.74Å
253	G	85.6	Confident	93.7	Very high	31 Å²	31	72.7 Å²	72.7	32%	0.32	37%	0.366	S	S	.	.	S	Bend	trans	-69	-11.8	-178.8	0	0	0	0	0	115.6	D248 A249 H255	D248-G253 PolarHBondContact O-N 3.45Å; A249-G253 PolarHBondContact O-N 2.88Å; G253-H255 PolarHBondContact O-CE1 3.1Å; G253-H255 PolarHBondContact O-N 3.49Å; G253-H255 PolarHBondContact O-ND1 3.34Å
254	K	89.8	Confident	93.8	Very high	198 Å²	198	69.9 Å²	69.9	86%	0.861	36%	0.359	S	S	*	.			trans	51.5	28.2	-178.5	-61.5	-178.5	-178.8	177.1	0	114.2	Y252	Y252-K254 PolarHBondContact O-N 2.74Å
255	H	91.4	Very high	94	Very high	93 Å²	93	71.1 Å²	71.1	43%	0.431	36%	0.358	S	S	.	.			trans	-74.8	-26.1	-175.4	-59.1	-56.6	0	0	0	114.4	M233 L238 A249 G253	M233-H255 HydrophobicContact CE-CB 4.23Å; L238-H255 HydrophobicContact CD1-CB 3.76Å; A249-H255 PolarHBondContact O-CD2 2.94Å; A249-H255 VanDerWaalsContact O-CD2 3.32Å; G253-H255 PolarHBondContact O-CE1 3.1Å; G253-H255 PolarHBondContact O-N 3.49Å; G253-H255 PolarHBondContact O-ND1 3.34Å
256	L	95.7	Very high	94.2	Very high	23 Å²	23	70.8 Å²	70.8	12%	0.12	36%	0.359	C	S	.	.	S	Bend	trans	-97.5	133.2	-177.2	-62.9	176.6	0	0	0	110.8	Y208 K229 L232 M233	Y208-L256 HydrophobicContact CD1-CB 3.56Å; Y208-L256 HydrophobicContact CD1-CD1 4.16Å; Y208-L256 HydrophobicContact CE1-CB 3.95Å; Y208-L256 HydrophobicContact CE1-CD1 4.48Å; K229-L256 HydrophobicContact CB-CD1 3.73Å; K229-L256 HydrophobicContact CG-CD1 3.9Å; L232-L256 HydrophobicContact CB-CD1 4Å; L232-L256 HydrophobicContact CB-CD2 3.82Å; L232-L256 HydrophobicContact CD1-CD1 4.17Å; M233-L256 HydrophobicContact CG-CD1 4.28Å; M233-L256 HydrophobicContact CG-CD2 3.75Å; M233-L256 HydrophobicContact CG-CG 4Å
257	K	97.1	Very high	94.2	Very high	117 Å²	117	67.6 Å²	67.6	51%	0.509	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	140.9	174.5	-63.5	-178.5	-174.7	173	0	110.2	Y208 V209 F262	Y208-K257 WeakPolarHBondContact CA-O 3.46Å; V209-K257 HydrophobicContact CB-CB 4.48Å; V209-K257 PolarHBondContact N-O 3.27Å; K257-F262 HydrophobicContact CB-CE2 4.15Å; K257-F262 HydrophobicContact CB-CZ 4.27Å; K257-F262 HydrophobicContact CD-CE2 4.49Å; K257-F262 HydrophobicContact CD-CZ 3.84Å
258	K	97.6	Very high	94.3	Very high	72 Å²	72	67.3 Å²	67.3	31%	0.313	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	151.4	171.1	-68.3	-179.6	167.4	-162	0	110.7	S205 I207 Y208 D260 S261 F262	S205-K258 WeakPolarHBondContact O-CD 3.45Å; S205-K258 PolarHBondContact O-NZ 3.34Å; I207-K258 CarbonylContact O-C 3.24Å; I207-K258 VanDerWaalsContact O-CA 3.27Å; I207-K258 WeakPolarHBondContact O-CA 3.48Å; Y208-K258 HydrophobicContact CD1-CG 3.92Å; Y208-K258 HydrophobicContact CE1-CD 4.44Å; Y208-K258 HydrophobicContact CE1-CG 3.75Å; Y208-K258 WeakPolarHBondContact OH-CE 3.45Å; K258-D260 VanDerWaalsContact C-N 3.27Å; K258-D260 WeakPolarHBondContact CB-OD1 3.33Å; K258-D260 PolarHBondContact O-N 2.93Å; K258-S261 WeakPolarHBondContact O-CB 3.43Å; K258-S261 PolarHBondContact O-N 2.89Å; K258-S261 PolarHBondContact O-OG 3.49Å; K258-F262 WeakPolarHBondContact O-CD2 3.36Å; K258-F262 WeakPolarHBondContact O-CE2 3.22Å
259	L	97.9	Very high	94.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-65.7	-32.5	-174.6	-172.7	55.8	0	0	0	112	V204 I207 V209 L216 S261 F262 I267 R270 L271	V204-L259 HydrophobicContact CB-CB 4.14Å; V204-L259 HydrophobicContact CB-CD2 3.9Å; V204-L259 HydrophobicContact CB-CG 4.05Å; V204-L259 HydrophobicContact CG1-CD2 4.01Å; V204-L259 HydrophobicContact CG2-CB 4.27Å; V204-L259 HydrophobicContact CG2-CD2 4.49Å; V204-L259 HydrophobicContact CG2-CG 4.15Å; I207-L259 HydrophobicContact CB-CB 3.95Å; I207-L259 HydrophobicContact CB-CD2 4.28Å; I207-L259 HydrophobicContact CD1-CD2 4.28Å; I207-L259 HydrophobicContact CG2-CB 4.02Å; I207-L259 HydrophobicContact CG2-CD2 3.99Å; I207-L259 PolarHBondContact O-N 3.13Å; V209-L259 HydrophobicContact CG2-CB 3.87Å; V209-L259 HydrophobicContact CG2-CD1 3.91Å; V209-L259 HydrophobicContact CG2-CG 4.49Å; L216-L259 HydrophobicContact CD1-CD2 4Å; L216-L259 HydrophobicContact CD2-CD1 4.21Å; L216-L259 HydrophobicContact CD2-CD2 4.13Å; L259-S261 PolarHBondContact O-N 2.91Å; L259-F262 HydrophobicContact CD1-CD2 4.37Å; L259-F262 PolarHBondContact O-N 3.18Å; L259-I267 HydrophobicContact CD1-CB 4.43Å; L259-I267 HydrophobicContact CD1-CG1 4.21Å; L259-I267 HydrophobicContact CD2-CG2 4.46Å; L259-I267 HydrophobicContact CG-CG1 4.25Å; L259-I267 HydrophobicContact CG-CG2 4.28Å; L259-I267 VanDerWaalsContact O-CG1 3.25Å; L259-I267 WeakPolarHBondContact O-CG1 3.49Å; L259-R270 HydrophobicContact CD1-CB 4.02Å; L259-L271 HydrophobicContact CD2-CD2 3.83Å; L259-L271 HydrophobicContact CD2-CG 4.04Å
260	D	96.5	Very high	94.6	Very high	53 Å²	53	66.7 Å²	66.7	28%	0.283	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-67.6	-9.8	174.3	65.2	-16.3	0	0	0	114.5	F201 V204 S205 K258 F262	F201-D260 HydrophobicContact CB-CB 4.49Å; F201-D260 HydrophobicContact CD1-CB 4.27Å; F201-D260 WeakPolarHBondContact CD1-O 2.91Å; V204-D260 HydrophobicContact CG2-CB 4.06Å; S205-D260 VanDerWaalsContact CA-OD2 3.29Å; S205-D260 WeakPolarHBondContact CA-OD2 3.39Å; S205-D260 VanDerWaalsContact CB-OD2 3.27Å; S205-D260 WeakPolarHBondContact CB-OD2 3.37Å; K258-D260 VanDerWaalsContact C-N 3.27Å; K258-D260 WeakPolarHBondContact CB-OD1 3.33Å; K258-D260 PolarHBondContact O-N 2.93Å; D260-F262 VanDerWaalsContact C-N 3.32Å
261	S	97	Very high	94.6	Very high	80 Å²	80	66.7 Å²	66.7	56%	0.559	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-82.9	-7.9	174	72.4	0	0	0	0	114	K258 L259	K258-S261 WeakPolarHBondContact O-CB 3.43Å; K258-S261 PolarHBondContact O-N 2.89Å; K258-S261 PolarHBondContact O-OG 3.49Å; L259-S261 PolarHBondContact O-N 2.91Å
262	F	97.3	Very high	94.6	Very high	34 Å²	34	67 Å²	67	15%	0.149	33%	0.329	C	S	.	.	S	Bend	trans	-93.9	159.2	178.7	-64.4	-95	0	0	0	111.5	V209 K257 K258 L259 D260 I267 R270	V209-F262 HydrophobicContact CB-CE2 4.02Å; V209-F262 HydrophobicContact CB-CZ 4.37Å; V209-F262 HydrophobicContact CG1-CE2 4.19Å; V209-F262 HydrophobicContact CG1-CZ 4.13Å; V209-F262 HydrophobicContact CG2-CD2 4.34Å; V209-F262 HydrophobicContact CG2-CE2 3.67Å; V209-F262 HydrophobicContact CG2-CZ 4.43Å; K257-F262 HydrophobicContact CB-CE2 4.15Å; K257-F262 HydrophobicContact CB-CZ 4.27Å; K257-F262 HydrophobicContact CD-CE2 4.49Å; K257-F262 HydrophobicContact CD-CZ 3.84Å; K258-F262 WeakPolarHBondContact O-CD2 3.36Å; K258-F262 WeakPolarHBondContact O-CE2 3.22Å; L259-F262 HydrophobicContact CD1-CD2 4.37Å; L259-F262 PolarHBondContact O-N 3.18Å; D260-F262 VanDerWaalsContact C-N 3.32Å; F262-I267 HydrophobicContact CB-CG1 4.1Å; F262-I267 WeakPolarHBondContact O-CD1 3.44Å; F262-R270 VanDerWaalsContact CE1-NH2 3.31Å
263	D	95.9	Very high	94.7	Very high	105 Å²	105	63.4 Å²	63.4	56%	0.561	32%	0.324	S	S	*	.			trans	-67.9	167.7	169.3	72.4	-20.5	0	0	0	111.4	K265 G266 I267	D263-K265 VanDerWaalsContact C-N 3.26Å; D263-K265 PolarHBondContact O-N 2.85Å; D263-G266 PolarHBondContact O-N 3.44Å; D263-G266 VanDerWaalsContact O-N 3.07Å; D263-G266 WeakPolarHBondContact OD1-CA 3.47Å; D263-G266 PolarHBondContact OD1-N 3.38Å; D263-I267 WeakPolarHBondContact O-CG1 3.35Å; D263-I267 PolarHBondContact O-N 2.85Å
264	L	94.1	Very high	95.2	Very high	64 Å²	64	63.2 Å²	63.2	34%	0.335	31%	0.314	S	S	.	.	H	α-helix	trans	-54.8	-43.3	-177.8	-68.6	176.8	0	0	0	112	L200 F201 I267 Y268	L200-L264 HydrophobicContact CD2-CD2 3.68Å; F201-L264 HydrophobicContact CE2-CD2 3.81Å; F201-L264 HydrophobicContact CZ-CD2 3.95Å; F201-L264 HydrophobicContact CZ-CG 4.49Å; L264-I267 PolarHBondContact O-N 3.5Å; L264-Y268 HydrophobicContact CB-CE2 4.42Å; L264-Y268 WeakPolarHBondContact O-CD2 3.43Å; L264-Y268 PolarHBondContact O-N 3.31Å
265	K	95	Very high	95.5	Very high	160 Å²	160	55.6 Å²	55.6	70%	0.696	28%	0.284	S	S	*	.	H	α-helix	trans	-60.6	-48.2	177.8	-174.6	179.7	177.5	-176.9	0	110.8	D263 I267 Y268 T269	D263-K265 VanDerWaalsContact C-N 3.26Å; D263-K265 PolarHBondContact O-N 2.85Å; K265-I267 VanDerWaalsContact C-N 3.33Å; K265-I267 PolarHBondContact O-N 2.91Å; K265-Y268 PolarHBondContact O-N 3.12Å; K265-T269 WeakPolarHBondContact O-CB 3.36Å; K265-T269 PolarHBondContact O-N 3.41Å; K265-T269 PolarHBondContact O-OG1 2.97Å; K265-T269 VanDerWaalsContact O-OG1 3.04Å
266	G	96.6	Very high	95.8	Very high	8 Å²	8	51.7 Å²	51.7	8%	0.082	27%	0.265	C	S	.	.	H	α-helix	trans	-62.3	-36.1	178.2	0	0	0	0	0	113.7	D263 R270	D263-G266 PolarHBondContact O-N 3.44Å; D263-G266 VanDerWaalsContact O-N 3.07Å; D263-G266 WeakPolarHBondContact OD1-CA 3.47Å; D263-G266 PolarHBondContact OD1-N 3.38Å; G266-R270 WeakPolarHBondContact O-CG 3.28Å; G266-R270 PolarHBondContact O-N 3.31Å; G266-R270 PolarHBondContact O-NH1 3.22Å; G266-R270 VanDerWaalsContact O-NH1 3.15Å
267	I	96.3	Very high	95.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-55.1	173.3	-68.8	170.1	0	0	0	110.3	L200 F201 V204 L259 F262 D263 L264 K265 T269 R270 L271	L200-I267 HydrophobicContact CD1-CG2 4.46Å; L200-I267 HydrophobicContact CD2-CG2 4.24Å; L200-I267 HydrophobicContact CG-CG2 4.49Å; F201-I267 HydrophobicContact CD1-CD1 4.04Å; F201-I267 HydrophobicContact CE1-CD1 3.7Å; F201-I267 HydrophobicContact CZ-CD1 4.2Å; V204-I267 HydrophobicContact CG2-CD1 4.34Å; L259-I267 HydrophobicContact CD1-CB 4.43Å; L259-I267 HydrophobicContact CD1-CG1 4.21Å; L259-I267 HydrophobicContact CD2-CG2 4.46Å; L259-I267 HydrophobicContact CG-CG1 4.25Å; L259-I267 HydrophobicContact CG-CG2 4.28Å; L259-I267 VanDerWaalsContact O-CG1 3.25Å; L259-I267 WeakPolarHBondContact O-CG1 3.49Å; F262-I267 HydrophobicContact CB-CG1 4.1Å; F262-I267 WeakPolarHBondContact O-CD1 3.44Å; D263-I267 WeakPolarHBondContact O-CG1 3.35Å; D263-I267 PolarHBondContact O-N 2.85Å; L264-I267 PolarHBondContact O-N 3.5Å; K265-I267 VanDerWaalsContact C-N 3.33Å; K265-I267 PolarHBondContact O-N 2.91Å; I267-T269 PolarHBondContact O-N 2.85Å; I267-R270 PolarHBondContact O-N 3.04Å; I267-L271 HydrophobicContact CG2-CD1 3.7Å; I267-L271 HydrophobicContact CG2-CG 4.31Å; I267-L271 WeakPolarHBondContact O-CG 3.3Å; I267-L271 PolarHBondContact O-N 2.9Å
268	Y	93.7	Very high	96	Very high	32 Å²	32	45 Å²	45	13%	0.125	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-43	-177.3	-76	-62.7	0	0	0	112.6	F147 M150 L200 L264 K265 R270 L271 N272	F147-Y268 AromaticContact CD1-CE2 3.6Å; F147-Y268 HydrophobicContact CD1-CE2 3.6Å; F147-Y268 AromaticContact CD1-CZ 3.87Å; F147-Y268 HydrophobicContact CE1-CD2 4.06Å; F147-Y268 AromaticContact CE1-CE2 3.54Å; F147-Y268 HydrophobicContact CE1-CE2 3.54Å; M150-Y268 HydrophobicContact CE-CD1 3.74Å; M150-Y268 HydrophobicContact CE-CD2 4.16Å; M150-Y268 HydrophobicContact CE-CE1 3.33Å; M150-Y268 HydrophobicContact CE-CE2 3.81Å; M150-Y268 HydrophobicContact CE-CG 4.15Å; L200-Y268 HydrophobicContact CD2-CE2 4.23Å; L264-Y268 HydrophobicContact CB-CE2 4.42Å; L264-Y268 WeakPolarHBondContact O-CD2 3.43Å; L264-Y268 PolarHBondContact O-N 3.31Å; K265-Y268 PolarHBondContact O-N 3.12Å; Y268-R270 VanDerWaalsContact C-N 3.26Å; Y268-R270 PolarHBondContact O-N 2.98Å; Y268-L271 PolarHBondContact O-N 2.99Å; Y268-N272 WeakPolarHBondContact O-CB 3.49Å; Y268-N272 VanDerWaalsContact O-CG 3.22Å; Y268-N272 PolarHBondContact O-N 3.13Å; Y268-N272 PolarHBondContact O-ND2 3.43Å
269	T	95.8	Very high	96	Very high	69 Å²	69	41.6 Å²	41.6	42%	0.423	22%	0.221	S	C	.	.	H	α-helix	trans	-55.4	-44.6	176.6	-65.3	0	0	0	0	110.9	K265 I267 N272 T273	K265-T269 WeakPolarHBondContact O-CB 3.36Å; K265-T269 PolarHBondContact O-N 3.41Å; K265-T269 PolarHBondContact O-OG1 2.97Å; K265-T269 VanDerWaalsContact O-OG1 3.04Å; I267-T269 PolarHBondContact O-N 2.85Å; T269-N272 PolarHBondContact O-N 2.97Å; T269-T273 WeakPolarHBondContact O-CB 3.38Å; T269-T273 WeakPolarHBondContact O-CG2 3.49Å; T269-T273 PolarHBondContact O-N 3.41Å; T269-T273 PolarHBondContact O-OG1 3.43Å
270	R	97.1	Very high	96.1	Very high	38 Å²	38	41.6 Å²	41.6	14%	0.143	22%	0.221	C	C	.	.	H	α-helix	trans	-72.2	-45.7	-179.4	-70.3	175.3	172.7	74.2	2.3	112.2	D211 L216 L259 F262 G266 I267 Y268 N272 T273 Y274	D211-R270 IonicContact OD1-CZ 3.71Å; D211-R270 VanDerWaalsContact OD1-CZ 3.25Å; D211-R270 IonicContact OD1-NE 3.66Å; D211-R270 PolarHBondContact OD1-NE 3Å; D211-R270 IonicContact OD1-NH2 2.79Å; D211-R270 PolarHBondContact OD1-NH2 3.42Å; D211-R270 IonicContact OD2-NH2 3.6Å; L216-R270 HydrophobicContact CD1-CB 4.24Å; L216-R270 HydrophobicContact CD2-CB 4.2Å; L259-R270 HydrophobicContact CD1-CB 4.02Å; F262-R270 VanDerWaalsContact CE1-NH2 3.31Å; G266-R270 WeakPolarHBondContact O-CG 3.28Å; G266-R270 PolarHBondContact O-N 3.31Å; G266-R270 PolarHBondContact O-NH1 3.22Å; G266-R270 VanDerWaalsContact O-NH1 3.15Å; I267-R270 PolarHBondContact O-N 3.04Å; Y268-R270 VanDerWaalsContact C-N 3.26Å; Y268-R270 PolarHBondContact O-N 2.98Å; R270-N272 PolarHBondContact O-N 3.39Å; R270-N272 VanDerWaalsContact O-N 3.15Å; R270-T273 PolarHBondContact O-N 3.26Å; R270-T273 VanDerWaalsContact O-N 3.14Å; R270-Y274 HydrophobicContact CB-CD1 4.31Å; R270-Y274 HydrophobicContact CB-CD2 4.15Å; R270-Y274 HydrophobicContact CB-CE2 4.4Å; R270-Y274 HydrophobicContact CB-CG 4.13Å; R270-Y274 HydrophobicContact CG-CD1 4.22Å; R270-Y274 HydrophobicContact CG-CD2 4.04Å; R270-Y274 HydrophobicContact CG-CE1 3.98Å; R270-Y274 HydrophobicContact CG-CE2 3.78Å; R270-Y274 HydrophobicContact CG-CG 4.28Å; R270-Y274 VanDerWaalsContact O-CB 3.23Å; R270-Y274 WeakPolarHBondContact O-CB 3.44Å; R270-Y274 PolarHBondContact O-N 2.68Å
271	L	94.3	Very high	96.2	Very high	13 Å²	13	39.4 Å²	39.4	7%	0.068	21%	0.209	C	C	.	.	H	α-helix	trans	-53.8	-37.5	175.8	-73.5	172.7	0	0	0	111.8	V204 L216 L259 I267 Y268 K276 I363	V204-L271 HydrophobicContact CG1-CD1 4.46Å; L216-L271 HydrophobicContact CD1-CD2 3.98Å; L259-L271 HydrophobicContact CD2-CD2 3.83Å; L259-L271 HydrophobicContact CD2-CG 4.04Å; I267-L271 HydrophobicContact CG2-CD1 3.7Å; I267-L271 HydrophobicContact CG2-CG 4.31Å; I267-L271 WeakPolarHBondContact O-CG 3.3Å; I267-L271 PolarHBondContact O-N 2.9Å; Y268-L271 PolarHBondContact O-N 2.99Å; L271-K276 HydrophobicContact CD2-CD 4.43Å; L271-K276 WeakPolarHBondContact O-CE 3.34Å; L271-K276 PolarHBondContact O-NZ 3.2Å; L271-I363 HydrophobicContact CD2-CG2 4.38Å
272	N	91.9	Very high	96.2	Very high	61 Å²	61	36.8 Å²	36.8	33%	0.326	19%	0.188	S	C	.	.	H	α-helix	trans	-86.2	-18.9	-178.1	-65.3	-15.4	0	0	0	114.8	H157 Y268 T269 R270	H157-N272 PolarHBondContact NE2-O 3.27Å; Y268-N272 WeakPolarHBondContact O-CB 3.49Å; Y268-N272 VanDerWaalsContact O-CG 3.22Å; Y268-N272 PolarHBondContact O-N 3.13Å; Y268-N272 PolarHBondContact O-ND2 3.43Å; T269-N272 PolarHBondContact O-N 2.97Å; R270-N272 PolarHBondContact O-N 3.39Å; R270-N272 VanDerWaalsContact O-N 3.15Å
273	T	93.2	Very high	96.2	Very high	81 Å²	81	35.3 Å²	35.3	50%	0.497	18%	0.182	S	C	.	.	H	α-helix	trans	-124	-9.7	-170.9	63.5	0	0	0	0	114.7	T269 R270	T269-T273 WeakPolarHBondContact O-CB 3.38Å; T269-T273 WeakPolarHBondContact O-CG2 3.49Å; T269-T273 PolarHBondContact O-N 3.41Å; T269-T273 PolarHBondContact O-OG1 3.43Å; R270-T273 PolarHBondContact O-N 3.26Å; R270-T273 VanDerWaalsContact O-N 3.14Å
274	Y	95.7	Very high	96.3	Very high	27 Å²	27	30.4 Å²	30.4	11%	0.106	16%	0.156	C	C	.	.	S	Bend	trans	-105.7	147.2	-175.9	-73.8	27.3	0	0	0	110.2	V209 D211 K214 L216 R270 K276	V209-Y274 HydrophobicContact CG1-CE2 4.02Å; D211-Y274 WeakPolarHBondContact OD1-CE2 3.39Å; D211-Y274 PolarHBondContact OD1-OH 3Å; K214-Y274 VanDerWaalsContact C-CD2 3.41Å; K214-Y274 HydrophobicContact CB-CD1 3.64Å; K214-Y274 HydrophobicContact CB-CD2 4.13Å; K214-Y274 HydrophobicContact CB-CE1 3.87Å; K214-Y274 HydrophobicContact CB-CE2 4.33Å; K214-Y274 HydrophobicContact CB-CG 3.76Å; K214-Y274 HydrophobicContact CD-CD1 4.33Å; K214-Y274 HydrophobicContact CD-CE1 4.19Å; K214-Y274 HydrophobicContact CG-CD1 4.03Å; K214-Y274 HydrophobicContact CG-CE1 3.77Å; K214-Y274 CarbonylContact O-C 3.48Å; K214-Y274 VanDerWaalsContact O-CA 3.22Å; K214-Y274 WeakPolarHBondContact O-CA 3.22Å; K214-Y274 WeakPolarHBondContact O-CB 3.48Å; L216-Y274 HydrophobicContact CD2-CD2 4.12Å; L216-Y274 HydrophobicContact CG-CD2 4.18Å; L216-Y274 HydrophobicContact CG-CG 4.4Å; R270-Y274 HydrophobicContact CB-CD1 4.31Å; R270-Y274 HydrophobicContact CB-CD2 4.15Å; R270-Y274 HydrophobicContact CB-CE2 4.4Å; R270-Y274 HydrophobicContact CB-CG 4.13Å; R270-Y274 HydrophobicContact CG-CD1 4.22Å; R270-Y274 HydrophobicContact CG-CD2 4.04Å; R270-Y274 HydrophobicContact CG-CE1 3.98Å; R270-Y274 HydrophobicContact CG-CE2 3.78Å; R270-Y274 HydrophobicContact CG-CG 4.28Å; R270-Y274 VanDerWaalsContact O-CB 3.23Å; R270-Y274 WeakPolarHBondContact O-CB 3.44Å; R270-Y274 PolarHBondContact O-N 2.68Å; Y274-K276 PolarHBondContact O-N 2.78Å; Y274-K276 PolarHBondContact O-NZ 2.99Å
275	T	95.9	Very high	96.5	Very high	38 Å²	38	28.5 Å²	28.5	23%	0.233	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	120.2	173.1	-56.4	0	0	0	0	109.5	L159 K214 I215 L216 D366 F381 M384	L159-T275 HydrophobicContact CD2-CG2 3.93Å; K214-T275 PolarHBondContact O-N 3.36Å; I215-T275 WeakPolarHBondContact CA-O 3.5Å; L216-T275 PolarHBondContact N-O 3.5Å; T275-D366 HydrophobicContact CG2-CB 4.15Å; T275-F381 HydrophobicContact CG2-CE2 3.91Å; T275-F381 HydrophobicContact CG2-CZ 4.34Å; T275-M384 HydrophobicContact CG2-CE 4.09Å
276	K	97.4	Very high	96.6	Very high	10 Å²	10	21 Å²	21	4%	0.043	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.5	-178.6	-69.8	157.9	-69.3	-63.3	0	109.9	L216 L271 Y274 I363 N364 Y365 D366 F367	L216-K276 HydrophobicContact CB-CB 4.49Å; L216-K276 HydrophobicContact CB-CG 3.85Å; L216-K276 HydrophobicContact CD1-CD 4.35Å; L216-K276 HydrophobicContact CD1-CG 3.78Å; L216-K276 HydrophobicContact CG-CG 4.33Å; L216-K276 CarbonylContact O-C 3.31Å; L216-K276 WeakPolarHBondContact O-CA 3.41Å; L271-K276 HydrophobicContact CD2-CD 4.43Å; L271-K276 WeakPolarHBondContact O-CE 3.34Å; L271-K276 PolarHBondContact O-NZ 3.2Å; Y274-K276 PolarHBondContact O-N 2.78Å; Y274-K276 PolarHBondContact O-NZ 2.99Å; K276-I363 HydrophobicContact CD-CG2 4.03Å; K276-N364 WeakPolarHBondContact CD-O 3.44Å; K276-N364 WeakPolarHBondContact CE-O 3.29Å; K276-Y365 HydrophobicContact CB-CD1 4.01Å; K276-D366 VanDerWaalsContact CE-OD2 3.31Å; K276-D366 WeakPolarHBondContact CE-OD2 3.48Å; K276-D366 PolarHBondContact N-OD2 3.25Å; K276-D366 IonicContact NZ-OD2 2.74Å; K276-D366 PolarHBondContact NZ-OD2 2.9Å; K276-D366 VanDerWaalsContact NZ-OD2 3.14Å; K276-D366 PolarHBondContact O-N 3.29Å; K276-F367 PolarHBondContact O-N 3Å
277	A	98.1	Very high	96.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.1	-179.7	0	0	0	0	0	111.8	L216 C218 F279 F367 F381	L216-A277 PolarHBondContact O-N 2.97Å; C218-A277 PolarHBondContact N-O 3.29Å; A277-F279 HydrophobicContact CB-CE2 4.31Å; A277-F367 WeakPolarHBondContact CA-O 3.48Å; A277-F367 HydrophobicContact CB-CB 4.09Å; A277-F381 HydrophobicContact CB-CD2 4.43Å; A277-F381 HydrophobicContact CB-CE1 4.27Å; A277-F381 HydrophobicContact CB-CE2 3.69Å; A277-F381 HydrophobicContact CB-CZ 3.59Å
278	V	98.6	Very high	96.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137.5	169.3	64	0	0	0	0	109.2	C218 V220 V280 C358 Y365 F367 V368 G369	C218-V278 HydrophobicContact CB-CG2 4.43Å; V220-V278 HydrophobicContact CG2-CG2 3.82Å; V278-V280 HydrophobicContact CG2-CG1 3.93Å; V278-C358 HydrophobicContact CG2-CB 4.35Å; V278-Y365 HydrophobicContact CB-CD1 3.69Å; V278-Y365 HydrophobicContact CB-CD2 4.49Å; V278-Y365 HydrophobicContact CB-CE1 3.78Å; V278-Y365 HydrophobicContact CB-CG 4.09Å; V278-Y365 HydrophobicContact CG1-CD1 3.83Å; V278-Y365 HydrophobicContact CG1-CD2 4.1Å; V278-Y365 HydrophobicContact CG1-CE1 4.34Å; V278-Y365 HydrophobicContact CG1-CG 3.71Å; V278-F367 PolarHBondContact N-O 3.28Å; V278-V368 HydrophobicContact CG1-CG1 4.46Å; V278-V368 HydrophobicContact CG1-CG2 4.22Å; V278-V368 WeakPolarHBondContact O-CA 3.47Å; V278-G369 PolarHBondContact O-N 2.67Å
279	F	98.6	Very high	97	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.7	173	-76.3	-103	0	0	0	108.2	Y217 V220 A223 W228 A277 F367 G369 L374 D377 A378 F381	Y217-F279 HydrophobicContact CD2-CD2 4.42Å; Y217-F279 AromaticContact CE2-CD2 3.97Å; Y217-F279 HydrophobicContact CE2-CD2 3.97Å; V220-F279 WeakPolarHBondContact CB-O 3.44Å; A223-F279 WeakPolarHBondContact CB-O 3.28Å; W228-F279 HydrophobicContact CD2-CD2 4.31Å; W228-F279 HydrophobicContact CD2-CE2 4.29Å; W228-F279 AromaticContact CE2-CD1 3.95Å; W228-F279 AromaticContact CE2-CD2 3.57Å; W228-F279 AromaticContact CE2-CE1 3.85Å; W228-F279 AromaticContact CE2-CE2 3.46Å; W228-F279 VanDerWaalsContact CE2-CE2 3.46Å; W228-F279 AromaticContact CE2-CG 3.84Å; W228-F279 AromaticContact CE2-CZ 3.64Å; W228-F279 HydrophobicContact CH2-CE1 4.4Å; W228-F279 AromaticContact CH2-CE2 3.75Å; W228-F279 HydrophobicContact CH2-CE2 3.75Å; W228-F279 AromaticContact CH2-CZ 3.63Å; W228-F279 HydrophobicContact CH2-CZ 3.63Å; W228-F279 AromaticContact CZ2-CD1 3.98Å; W228-F279 HydrophobicContact CZ2-CD1 3.98Å; W228-F279 AromaticContact CZ2-CD2 3.81Å; W228-F279 HydrophobicContact CZ2-CD2 3.81Å; W228-F279 AromaticContact CZ2-CE1 3.38Å; W228-F279 HydrophobicContact CZ2-CE1 3.38Å; W228-F279 AromaticContact CZ2-CE2 3.19Å; W228-F279 HydrophobicContact CZ2-CE2 3.19Å; W228-F279 HydrophobicContact CZ2-CG 4.18Å; W228-F279 AromaticContact CZ2-CZ 2.97Å; W228-F279 HydrophobicContact CZ2-CZ 2.97Å; W228-F279 HydrophobicContact CZ3-CE2 4.47Å; W228-F279 AromaticContact NE1-CD1 3.46Å; W228-F279 AromaticContact NE1-CD2 3.45Å; W228-F279 AromaticContact NE1-CE1 3.82Å; W228-F279 AromaticContact NE1-CE2 3.83Å; W228-F279 AromaticContact NE1-CG 3.28Å; W228-F279 VanDerWaalsContact NE1-CG 3.28Å; A277-F279 HydrophobicContact CB-CE2 4.31Å; F279-F367 HydrophobicContact CE1-CE1 4.05Å; F279-F367 HydrophobicContact CE2-CD1 4.07Å; F279-F367 HydrophobicContact CE2-CE1 4.13Å; F279-F367 AromaticContact CZ-CD1 3.88Å; F279-F367 HydrophobicContact CZ-CD1 3.88Å; F279-F367 AromaticContact CZ-CE1 3.46Å; F279-F367 HydrophobicContact CZ-CE1 3.46Å; F279-F367 VanDerWaalsContact CZ-CE1 3.46Å; F279-G369 CarbonylContact C-O 3.54Å; F279-G369 WeakPolarHBondContact CA-O 3.29Å; F279-L374 HydrophobicContact CD1-CD1 3.53Å; F279-L374 HydrophobicContact CE1-CD1 4.03Å; F279-L374 HydrophobicContact CG-CD1 4.44Å; F279-D377 HydrophobicContact CE1-CB 4.01Å; F279-A378 HydrophobicContact CE1-CB 4.32Å; F279-F381 HydrophobicContact CZ-CB 4.42Å
280	V	98.6	Very high	97.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	170.7	-176.2	-57.8	0	0	0	0	110.8	V278 V354 V368 G369 K370 F371 F437 Y439	V278-V280 HydrophobicContact CG2-CG1 3.93Å; V280-V354 HydrophobicContact CG1-CG1 3.84Å; V280-V368 HydrophobicContact CG2-CG1 4.38Å; V280-G369 PolarHBondContact N-O 3.45Å; V280-K370 HydrophobicContact CG2-CG 4.1Å; V280-K370 CarbonylContact O-C 3.56Å; V280-K370 WeakPolarHBondContact O-CA 3.35Å; V280-F371 WeakPolarHBondContact O-CB 3.46Å; V280-F371 PolarHBondContact O-N 3.22Å; V280-F437 HydrophobicContact CB-CD1 4.47Å; V280-F437 HydrophobicContact CB-CG 4.43Å; V280-F437 HydrophobicContact CG1-CD1 4Å; V280-F437 HydrophobicContact CG1-CD2 4.23Å; V280-F437 HydrophobicContact CG1-CE1 3.67Å; V280-F437 HydrophobicContact CG1-CE2 3.93Å; V280-F437 HydrophobicContact CG1-CG 4.26Å; V280-F437 HydrophobicContact CG1-CZ 3.63Å; V280-F437 HydrophobicContact CG2-CB 4.24Å; V280-F437 HydrophobicContact CG2-CD1 3.91Å; V280-F437 HydrophobicContact CG2-CE1 4.41Å; V280-F437 HydrophobicContact CG2-CG 3.97Å; V280-Y439 HydrophobicContact CG2-CE2 4.01Å
281	R	98.1	Very high	97.2	Very high	8 Å²	8	15.4 Å²	15.4	3%	0.03	8%	0.084	C	C	.	.			trans	-144	151.6	179.4	-178.3	168.6	-171.1	176.6	4.3	108.5	K222 A223 E285 R286 S289 F371 T406 Y439	K222-R281 WeakPolarHBondContact O-CD 3.4Å; K222-R281 PolarHBondContact O-NH1 2.86Å; A223-R281 HydrophobicContact CB-CB 3.95Å; R281-E285 HydrophobicContact CG-CB 4.17Å; R281-E285 IonicContact CZ-OE2 2.71Å; R281-E285 IonicContact NE-OE2 3.44Å; R281-E285 PolarHBondContact NE-OE2 3.23Å; R281-E285 IonicContact NH2-OE2 3.17Å; R281-E285 PolarHBondContact NH2-OE2 3.02Å; R281-R286 HydrophobicContact CB-CB 4.22Å; R281-R286 HydrophobicContact CB-CG 4.35Å; R281-R286 HydrophobicContact CG-CB 4.22Å; R281-S289 PolarHBondContact NH1-OG 2.89Å; R281-F371 HydrophobicContact CB-CB 3.69Å; R281-F371 HydrophobicContact CB-CG 4.39Å; R281-F371 HydrophobicContact CG-CB 3.71Å; R281-F371 HydrophobicContact CG-CD1 4.26Å; R281-F371 HydrophobicContact CG-CG 4.1Å; R281-T406 VanDerWaalsContact NH2-C 3.3Å; R281-T406 PolarHBondContact NH2-O 3.14Å; R281-Y439 VanDerWaalsContact C-CZ 3.47Å; R281-Y439 VanDerWaalsContact CA-OH 3.26Å; R281-Y439 WeakPolarHBondContact CA-OH 3.33Å; R281-Y439 PolarHBondContact N-OH 3.37Å
282	D	98.1	Very high	97.4	Very high	25 Å²	25	16 Å²	16	13%	0.134	9%	0.086	C	C	.	.			trans	-45.6	127.2	169.9	172.7	-91.4	0	0	0	110	M284 E285 R286 E372 Y434 Y439	D282-M284 VanDerWaalsContact C-N 3.31Å; D282-M284 PolarHBondContact O-N 3.49Å; D282-M284 WeakPolarHBondContact OD1-CA 3.39Å; D282-M284 WeakPolarHBondContact OD1-CB 3.39Å; D282-M284 PolarHBondContact OD1-N 2.94Å; D282-E285 HydrophobicContact CB-CB 4.11Å; D282-E285 HydrophobicContact CB-CG 4.06Å; D282-E285 PolarHBondContact O-N 2.76Å; D282-E285 PolarHBondContact OD1-N 2.79Å; D282-R286 WeakPolarHBondContact O-CB 3.41Å; D282-R286 PolarHBondContact O-N 3.12Å; D282-E372 PolarHBondContact N-OE1 3.34Å; D282-Y434 PolarHBondContact OD1-OH 3.12Å; D282-Y434 WeakPolarHBondContact OD2-CE1 3.44Å; D282-Y434 PolarHBondContact OD2-OH 3.11Å; D282-Y434 VanDerWaalsContact OD2-OH 3.13Å; D282-Y439 HydrophobicContact CB-CD1 4.14Å; D282-Y439 HydrophobicContact CB-CE1 3.99Å; D282-Y439 VanDerWaalsContact N-CZ 3.29Å; D282-Y439 PolarHBondContact N-OH 3.18Å
283	P	97.9	Very high	97.6	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.019	8%	0.076	C	C	.	.	H	α-helix	trans	-57.7	-37.2	-173.3	-28.7	34.6	0	0	0	114.7	R286 L287 Y430 D433 Y434	P283-R286 PolarHBondContact O-N 3.45Å; P283-L287 WeakPolarHBondContact O-CB 3.39Å; P283-L287 PolarHBondContact O-N 3.33Å; P283-Y430 HydrophobicContact CB-CD1 4.24Å; P283-Y430 HydrophobicContact CB-CD2 4.25Å; P283-Y430 HydrophobicContact CB-CG 3.81Å; P283-D433 HydrophobicContact CG-CB 4.08Å; P283-Y434 HydrophobicContact CB-CD2 4.1Å; P283-Y434 HydrophobicContact CB-CE2 3.53Å; P283-Y434 HydrophobicContact CG-CD1 4.39Å; P283-Y434 HydrophobicContact CG-CD2 3.73Å; P283-Y434 HydrophobicContact CG-CE1 4.2Å; P283-Y434 HydrophobicContact CG-CE2 3.56Å; P283-Y434 HydrophobicContact CG-CG 4.12Å
284	M	97.1	Very high	97.9	Very high	2 Å²	2	11 Å²	11	1%	0.01	6%	0.056	C	C	.	.	H	α-helix	trans	-72.2	-42.8	178	-69.6	-75.9	177.8	0	0	111.5	D282 R286 L287 V288 V411 L415 I426 Y434 P442	D282-M284 VanDerWaalsContact C-N 3.31Å; D282-M284 PolarHBondContact O-N 3.49Å; D282-M284 WeakPolarHBondContact OD1-CA 3.39Å; D282-M284 WeakPolarHBondContact OD1-CB 3.39Å; D282-M284 PolarHBondContact OD1-N 2.94Å; M284-R286 VanDerWaalsContact C-N 3.27Å; M284-R286 PolarHBondContact O-N 3.12Å; M284-L287 PolarHBondContact O-N 3.32Å; M284-V288 WeakPolarHBondContact O-CG2 3.3Å; M284-V288 PolarHBondContact O-N 3.29Å; M284-V411 HydrophobicContact CB-CG1 3.88Å; M284-L415 HydrophobicContact SD-CD2 4.29Å; M284-I426 HydrophobicContact CE-CB 3.73Å; M284-I426 HydrophobicContact CE-CG2 3.39Å; M284-I426 HydrophobicContact SD-CB 4.36Å; M284-I426 HydrophobicContact SD-CG2 3.56Å; M284-I426 VanDerWaalsContact SD-CG2 3.56Å; M284-Y434 WeakPolarHBondContact CG-OH 3.45Å; M284-Y434 PolarHBondContact N-OH 3.02Å; M284-P442 HydrophobicContact CE-CG 4.04Å; M284-P442 HydrophobicContact CG-CB 4.25Å; M284-P442 HydrophobicContact CG-CG 4.11Å
285	E	97.9	Very high	98	Very high	24 Å²	24	10 Å²	10	11%	0.112	5%	0.052	C	C	.	.	H	α-helix	trans	-60.6	-39.3	173	-70.3	-160.2	-175.3	0	0	112.2	R281 D282 S289 T406 N407 A408 V411	R281-E285 HydrophobicContact CG-CB 4.17Å; R281-E285 IonicContact CZ-OE2 2.71Å; R281-E285 IonicContact NE-OE2 3.44Å; R281-E285 PolarHBondContact NE-OE2 3.23Å; R281-E285 IonicContact NH2-OE2 3.17Å; R281-E285 PolarHBondContact NH2-OE2 3.02Å; D282-E285 HydrophobicContact CB-CB 4.11Å; D282-E285 HydrophobicContact CB-CG 4.06Å; D282-E285 PolarHBondContact O-N 2.76Å; D282-E285 PolarHBondContact OD1-N 2.79Å; E285-S289 WeakPolarHBondContact O-CB 3.43Å; E285-S289 PolarHBondContact O-N 3.02Å; E285-T406 HydrophobicContact CB-CG2 4.43Å; E285-T406 WeakPolarHBondContact O-CG2 3.32Å; E285-N407 WeakPolarHBondContact OE1-CA 3.41Å; E285-A408 PolarHBondContact OE1-N 2.81Å; E285-V411 HydrophobicContact CB-CG2 4.17Å; E285-V411 HydrophobicContact CG-CG2 3.75Å
286	R	98.4	Very high	98	Very high	1 Å²	1	11.9 Å²	11.9	0%	0.004	6%	0.058	C	C	.	.	H	α-helix	trans	-65.9	-43.7	177.8	-158.2	-176	76	93.1	8.7	111.3	P221 K222 R281 D282 P283 M284 S289 A290 H350 E352	P221-R286 WeakPolarHBondContact O-CD 3.39Å; P221-R286 PolarHBondContact O-NH1 3.48Å; P221-R286 VanDerWaalsContact O-NH1 3.12Å; K222-R286 HydrophobicContact CB-CG 3.71Å; R281-R286 HydrophobicContact CB-CB 4.22Å; R281-R286 HydrophobicContact CB-CG 4.35Å; R281-R286 HydrophobicContact CG-CB 4.22Å; D282-R286 WeakPolarHBondContact O-CB 3.41Å; D282-R286 PolarHBondContact O-N 3.12Å; P283-R286 PolarHBondContact O-N 3.45Å; M284-R286 VanDerWaalsContact C-N 3.27Å; M284-R286 PolarHBondContact O-N 3.12Å; R286-S289 PolarHBondContact O-N 3.45Å; R286-A290 PolarHBondContact O-N 3.38Å; R286-H350 PolarHBondContact NH1-O 2.88Å; R286-E352 PolarHBondContact NH2-O 3.08Å
287	L	98.6	Very high	97.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.6	-50.7	176.3	176.8	65.8	0	0	0	111.8	P283 M284 S289 A290 F291 F331 F334 I335 L338 W351 I426 Y430	P283-L287 WeakPolarHBondContact O-CB 3.39Å; P283-L287 PolarHBondContact O-N 3.33Å; M284-L287 PolarHBondContact O-N 3.32Å; L287-S289 VanDerWaalsContact C-N 3.33Å; L287-S289 PolarHBondContact O-N 2.73Å; L287-A290 WeakPolarHBondContact O-CB 3.33Å; L287-A290 PolarHBondContact O-N 2.59Å; L287-A290 VanDerWaalsContact O-N 3.1Å; L287-F291 PolarHBondContact O-N 2.85Å; L287-F331 HydrophobicContact CD2-CZ 4.28Å; L287-F331 HydrophobicContact CG-CE2 4.49Å; L287-F331 HydrophobicContact CG-CZ 4.5Å; L287-F334 HydrophobicContact CD1-CE1 3.51Å; L287-F334 HydrophobicContact CD1-CZ 3.98Å; L287-F334 HydrophobicContact CG-CE1 4.33Å; L287-I335 HydrophobicContact CD2-CD1 3.73Å; L287-L338 HydrophobicContact CD1-CD2 3.68Å; L287-L338 HydrophobicContact CD2-CD2 4.17Å; L287-W351 HydrophobicContact CD1-CB 4.09Å; L287-I426 HydrophobicContact CD2-CG2 3.6Å; L287-Y430 HydrophobicContact CB-CE2 4.32Å; L287-Y430 HydrophobicContact CD1-CE2 4.36Å; L287-Y430 HydrophobicContact CD2-CE2 4.09Å; L287-Y430 HydrophobicContact CG-CE2 4.49Å
288	V	98.2	Very high	97.7	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-63.5	-42.3	178	171.7	0	0	0	0	110.2	M284 A290 F291 R292 F331 T406 V410 V411 Y414	M284-V288 WeakPolarHBondContact O-CG2 3.3Å; M284-V288 PolarHBondContact O-N 3.29Å; V288-A290 PolarHBondContact O-N 2.87Å; V288-F291 PolarHBondContact O-N 3.42Å; V288-R292 HydrophobicContact CG1-CG 4.12Å; V288-R292 VanDerWaalsContact O-CG 3.23Å; V288-R292 WeakPolarHBondContact O-CG 3.43Å; V288-R292 PolarHBondContact O-N 2.69Å; V288-F331 HydrophobicContact CG2-CE2 4.14Å; V288-F331 HydrophobicContact CG2-CZ 3.85Å; V288-T406 HydrophobicContact CB-CG2 3.93Å; V288-T406 HydrophobicContact CG1-CG2 3.72Å; V288-V410 HydrophobicContact CG1-CG1 4.22Å; V288-V411 HydrophobicContact CB-CG2 4.13Å; V288-V411 HydrophobicContact CG2-CB 4.48Å; V288-V411 HydrophobicContact CG2-CG1 4.46Å; V288-V411 HydrophobicContact CG2-CG2 4Å; V288-Y414 HydrophobicContact CG1-CD1 4.46Å; V288-Y414 HydrophobicContact CG1-CD2 3.44Å; V288-Y414 VanDerWaalsContact CG1-CD2 3.44Å; V288-Y414 HydrophobicContact CG1-CE2 3.65Å; V288-Y414 HydrophobicContact CG1-CG 3.91Å; V288-Y414 HydrophobicContact CG2-CD2 4.37Å; V288-Y414 HydrophobicContact CG2-CG 4.23Å
289	S	98.3	Very high	97.6	Very high	22 Å²	22	20.2 Å²	20.2	15%	0.154	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-31.4	174.2	-175.6	0	0	0	0	113.2	R281 E285 R286 L287 D293	R281-S289 PolarHBondContact NH1-OG 2.89Å; E285-S289 WeakPolarHBondContact O-CB 3.43Å; E285-S289 PolarHBondContact O-N 3.02Å; R286-S289 PolarHBondContact O-N 3.45Å; L287-S289 VanDerWaalsContact C-N 3.33Å; L287-S289 PolarHBondContact O-N 2.73Å; S289-D293 WeakPolarHBondContact O-CB 3.45Å; S289-D293 PolarHBondContact O-N 2.94Å
290	A	98.4	Very high	97.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.8	-49.3	174	0	0	0	0	0	110.9	K222 R286 L287 V288 R292 D293 K294 H350 W351	K222-A290 HydrophobicContact CG-CB 4.04Å; R286-A290 PolarHBondContact O-N 3.38Å; L287-A290 WeakPolarHBondContact O-CB 3.33Å; L287-A290 PolarHBondContact O-N 2.59Å; L287-A290 VanDerWaalsContact O-N 3.1Å; V288-A290 PolarHBondContact O-N 2.87Å; A290-R292 PolarHBondContact O-N 2.7Å; A290-D293 PolarHBondContact O-N 3.08Å; A290-K294 WeakPolarHBondContact O-CB 3.28Å; A290-K294 VanDerWaalsContact O-CG 3.31Å; A290-K294 WeakPolarHBondContact O-CG 3.08Å; A290-K294 PolarHBondContact O-N 3.46Å; A290-H350 HydrophobicContact CB-CB 4.02Å; A290-H350 WeakPolarHBondContact CB-O 3.48Å; A290-W351 HydrophobicContact CB-CE3 4.49Å
291	F	98.6	Very high	97.3	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-55.9	-51.8	178.1	175.1	-98.2	0	0	0	112	L287 V288 D293 K294 F295 E296 V329 F331 F334 Y414	L287-F291 PolarHBondContact O-N 2.85Å; V288-F291 PolarHBondContact O-N 3.42Å; F291-D293 VanDerWaalsContact C-N 3.33Å; F291-D293 PolarHBondContact O-N 3.1Å; F291-K294 PolarHBondContact O-N 2.7Å; F291-K294 VanDerWaalsContact O-N 3.1Å; F291-F295 HydrophobicContact CD2-CB 4.15Å; F291-F295 AromaticContact CD2-CD2 3.67Å; F291-F295 HydrophobicContact CD2-CD2 3.67Å; F291-F295 HydrophobicContact CD2-CG 4.28Å; F291-F295 HydrophobicContact CE2-CB 3.88Å; F291-F295 HydrophobicContact CE2-CD2 4.08Å; F291-F295 HydrophobicContact CE2-CG 4.26Å; F291-F295 HydrophobicContact CG-CD2 4.46Å; F291-F295 HydrophobicContact CZ-CB 4.29Å; F291-F295 PolarHBondContact O-N 3.13Å; F291-E296 HydrophobicContact CD1-CG 4.39Å; F291-E296 HydrophobicContact CE1-CG 3.97Å; F291-V329 HydrophobicContact CE2-CG1 4.24Å; F291-V329 VanDerWaalsContact CZ-O 3.29Å; F291-V329 WeakPolarHBondContact CZ-O 3.39Å; F291-F331 HydrophobicContact CB-CD2 3.92Å; F291-F331 HydrophobicContact CB-CE2 4.04Å; F291-F331 HydrophobicContact CD1-CB 4.39Å; F291-F331 AromaticContact CD1-CD2 3.77Å; F291-F331 HydrophobicContact CD1-CD2 3.77Å; F291-F331 AromaticContact CD2-CD2 3.87Å; F291-F331 HydrophobicContact CD2-CD2 3.87Å; F291-F331 HydrophobicContact CE1-CB 4.04Å; F291-F331 HydrophobicContact CE1-CD2 4.26Å; F291-F331 HydrophobicContact CE2-CB 4.31Å; F291-F331 HydrophobicContact CE2-CD2 4.34Å; F291-F331 AromaticContact CG-CD2 3.56Å; F291-F331 HydrophobicContact CG-CD2 3.56Å; F291-F331 HydrophobicContact CG-CE2 4.19Å; F291-F331 HydrophobicContact CZ-CB 3.98Å; F291-F334 HydrophobicContact CB-CD1 4Å; F291-F334 HydrophobicContact CB-CE1 4Å; F291-F334 HydrophobicContact CD2-CB 3.77Å; F291-F334 AromaticContact CD2-CD1 3.63Å; F291-F334 HydrophobicContact CD2-CD1 3.63Å; F291-F334 HydrophobicContact CD2-CE1 4.37Å; F291-F334 AromaticContact CD2-CG 3.77Å; F291-F334 HydrophobicContact CD2-CG 3.77Å; F291-F334 HydrophobicContact CE2-CB 3.93Å; F291-F334 HydrophobicContact CE2-CG 4.42Å; F291-F334 HydrophobicContact CG-CD1 4.2Å; F291-Y414 HydrophobicContact CD1-CD1 4.23Å; F291-Y414 AromaticContact CD1-CE1 3.74Å; F291-Y414 HydrophobicContact CD1-CE1 3.74Å; F291-Y414 HydrophobicContact CE1-CD1 4.35Å; F291-Y414 AromaticContact CE1-CE1 3.75Å; F291-Y414 HydrophobicContact CE1-CE1 3.75Å
292	R	98	Very high	97.3	Very high	25 Å²	25	32.5 Å²	32.5	9%	0.094	17%	0.174	C	C	.	.	H	α-helix	trans	-56.8	-44.8	-179.1	-65.2	-177	67.1	-158.2	5.4	112.6	V288 A290 K294 E296 E404 T406 Y414	V288-R292 HydrophobicContact CG1-CG 4.12Å; V288-R292 VanDerWaalsContact O-CG 3.23Å; V288-R292 WeakPolarHBondContact O-CG 3.43Å; V288-R292 PolarHBondContact O-N 2.69Å; A290-R292 PolarHBondContact O-N 2.7Å; R292-K294 PolarHBondContact O-N 3.07Å; R292-E296 WeakPolarHBondContact CB-OE2 3.41Å; R292-E296 VanDerWaalsContact CG-OE2 3.25Å; R292-E296 WeakPolarHBondContact CG-OE2 3.26Å; R292-E296 IonicContact NE-OE2 2.74Å; R292-E296 PolarHBondContact NE-OE2 3.34Å; R292-E296 WeakPolarHBondContact O-CB 3.44Å; R292-E296 PolarHBondContact O-N 2.92Å; R292-E404 PolarHBondContact NH1-O 2.83Å; R292-E404 PolarHBondContact NH2-O 2.95Å; R292-T406 PolarHBondContact NH1-OG1 2.87Å; R292-T406 VanDerWaalsContact NH1-OG1 3.11Å; R292-Y414 WeakPolarHBondContact CD-OH 3.23Å; R292-Y414 HydrophobicContact CG-CE1 4.35Å; R292-Y414 HydrophobicContact CG-CE2 4.31Å; R292-Y414 VanDerWaalsContact CG-OH 3.3Å; R292-Y414 WeakPolarHBondContact CG-OH 3.33Å; R292-Y414 PolarHBondContact NE-OH 2.71Å
293	D	96.9	Very high	97.3	Very high	22 Å²	22	32 Å²	32	12%	0.118	17%	0.171	C	C	.	.	H	α-helix	trans	-69.2	-30.3	178.9	-178.5	94.5	0	0	0	113.8	K222 S289 A290 F291	K222-D293 IonicContact NZ-OD1 2.99Å; K222-D293 PolarHBondContact NZ-OD1 3.38Å; K222-D293 IonicContact NZ-OD2 3.17Å; K222-D293 PolarHBondContact NZ-OD2 2.72Å; S289-D293 WeakPolarHBondContact O-CB 3.45Å; S289-D293 PolarHBondContact O-N 2.94Å; A290-D293 PolarHBondContact O-N 3.08Å; F291-D293 VanDerWaalsContact C-N 3.33Å; F291-D293 PolarHBondContact O-N 3.1Å
294	K	97.8	Very high	97.3	Very high	17 Å²	17	34.6 Å²	34.6	7%	0.074	19%	0.188	C	C	.	.	H	α-helix	trans	-97.8	-26.6	-172	-62.7	-40.2	-176.5	-166.2	0	114.6	A290 F291 R292 Y302 H303 H350 W351	A290-K294 WeakPolarHBondContact O-CB 3.28Å; A290-K294 VanDerWaalsContact O-CG 3.31Å; A290-K294 WeakPolarHBondContact O-CG 3.08Å; A290-K294 PolarHBondContact O-N 3.46Å; F291-K294 PolarHBondContact O-N 2.7Å; F291-K294 VanDerWaalsContact O-N 3.1Å; R292-K294 PolarHBondContact O-N 3.07Å; K294-Y302 HydrophobicContact CB-CD1 3.86Å; K294-Y302 HydrophobicContact CB-CE1 4.42Å; K294-Y302 HydrophobicContact CB-CG 3.91Å; K294-Y302 HydrophobicContact CD-CD1 3.93Å; K294-Y302 HydrophobicContact CD-CD2 3.58Å; K294-Y302 HydrophobicContact CD-CE1 3.84Å; K294-Y302 HydrophobicContact CD-CE2 3.51Å; K294-Y302 HydrophobicContact CD-CG 3.8Å; K294-Y302 VanDerWaalsContact CE-CE2 3.49Å; K294-Y302 HydrophobicContact CG-CD1 3.73Å; K294-Y302 HydrophobicContact CG-CD2 4.28Å; K294-Y302 HydrophobicContact CG-CE1 3.78Å; K294-Y302 HydrophobicContact CG-CE2 4.35Å; K294-Y302 HydrophobicContact CG-CG 3.98Å; K294-H303 PolarHBondContact O-CD2 2.91Å; K294-H303 PolarHBondContact O-NE2 3.23Å; K294-H350 VanDerWaalsContact CE-CE1 3.43Å; K294-H350 WeakPolarHBondContact CE-CE1 3.39Å; K294-H350 WeakPolarHBondContact CE-NE2 3.41Å; K294-H350 PolarHBondContact NZ-NE2 3.4Å; K294-W351 HydrophobicContact CG-CZ3 4.41Å
295	F	97.9	Very high	97.3	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.022	20%	0.204	C	C	.	.	H	α-helix	trans	-129	-14.6	-167.2	-62.3	-68.6	0	0	0	115.7	F291 F306 I310 V329 F334 W351	F291-F295 HydrophobicContact CD2-CB 4.15Å; F291-F295 AromaticContact CD2-CD2 3.67Å; F291-F295 HydrophobicContact CD2-CD2 3.67Å; F291-F295 HydrophobicContact CD2-CG 4.28Å; F291-F295 HydrophobicContact CE2-CB 3.88Å; F291-F295 HydrophobicContact CE2-CD2 4.08Å; F291-F295 HydrophobicContact CE2-CG 4.26Å; F291-F295 HydrophobicContact CG-CD2 4.46Å; F291-F295 HydrophobicContact CZ-CB 4.29Å; F291-F295 PolarHBondContact O-N 3.13Å; F295-F306 HydrophobicContact CE1-CB 3.94Å; F295-F306 HydrophobicContact CZ-CB 3.82Å; F295-I310 HydrophobicContact CE1-CD1 4.26Å; F295-I310 HydrophobicContact CZ-CD1 3.92Å; F295-V329 HydrophobicContact CB-CB 4.21Å; F295-V329 HydrophobicContact CD1-CB 3.98Å; F295-V329 HydrophobicContact CD1-CG1 4.5Å; F295-V329 HydrophobicContact CD1-CG2 3.64Å; F295-V329 HydrophobicContact CE1-CG2 4.07Å; F295-V329 HydrophobicContact CG-CB 4.17Å; F295-V329 HydrophobicContact CG-CG2 4.33Å; F295-F334 AromaticContact CE2-CD2 3.83Å; F295-F334 HydrophobicContact CE2-CD2 3.83Å; F295-F334 AromaticContact CE2-CE2 3.95Å; F295-F334 HydrophobicContact CE2-CE2 3.95Å; F295-F334 HydrophobicContact CE2-CG 4.48Å; F295-F334 HydrophobicContact CZ-CD2 4.46Å; F295-W351 HydrophobicContact CE2-CZ3 4.36Å
296	E	96.3	Very high	97.3	Very high	77 Å²	77	36.6 Å²	36.6	36%	0.36	20%	0.201	S	C	.	.	S	Bend	trans	-88.6	-16.2	-179.4	-65.6	-175.6	164.2	0	0	113.4	F291 R292 Y414	F291-E296 HydrophobicContact CD1-CG 4.39Å; F291-E296 HydrophobicContact CE1-CG 3.97Å; R292-E296 WeakPolarHBondContact CB-OE2 3.41Å; R292-E296 VanDerWaalsContact CG-OE2 3.25Å; R292-E296 WeakPolarHBondContact CG-OE2 3.26Å; R292-E296 IonicContact NE-OE2 2.74Å; R292-E296 PolarHBondContact NE-OE2 3.34Å; R292-E296 WeakPolarHBondContact O-CB 3.44Å; R292-E296 PolarHBondContact O-N 2.92Å; E296-Y414 VanDerWaalsContact CD-OH 3.3Å; E296-Y414 VanDerWaalsContact OE1-CE1 3.32Å; E296-Y414 WeakPolarHBondContact OE1-CE1 3.25Å; E296-Y414 VanDerWaalsContact OE1-CZ 3.25Å; E296-Y414 PolarHBondContact OE1-OH 3.17Å; E296-Y414 PolarHBondContact OE2-OH 2.89Å
297	H	95.3	Very high	97.3	Very high	40 Å²	40	36.5 Å²	36.5	19%	0.185	20%	0.2	C	C	.	.	S	Bend	trans	-126.1	152.6	-174.5	-67.1	60.6	0	0	0	109.7	N299 H303 H400 D403	H297-N299 PolarHBondContact O-N 3.31Å; H297-N299 VanDerWaalsContact O-N 3.11Å; H297-H303 PolarHBondContact O-CE1 3.28Å; H297-H303 PolarHBondContact O-NE2 3.33Å; H297-H303 VanDerWaalsContact O-NE2 3.14Å; H297-H400 WeakPolarHBondContact CB-CE1 3.39Å; H297-H400 AromaticContact CD2-CE1 3.29Å; H297-H400 PolarHBondContact CD2-CE1 3.31Å; H297-H400 AromaticContact CD2-CG 3.49Å; H297-H400 VanDerWaalsContact CD2-CG 3.49Å; H297-H400 AromaticContact CD2-ND1 2.9Å; H297-H400 PolarHBondContact CD2-ND1 3.35Å; H297-H400 AromaticContact CG-CE1 3.41Å; H297-H400 VanDerWaalsContact CG-CE1 3.41Å; H297-H400 AromaticContact CG-CG 3.88Å; H297-H400 AromaticContact CG-ND1 3.46Å; H297-H400 AromaticContact CG-NE2 3.88Å; H297-H400 AromaticContact NE2-CG 3.59Å; H297-H400 AromaticContact NE2-ND1 3.44Å; H297-H400 PolarHBondContact NE2-ND1 3.48Å; H297-D403 IonicContact CE1-OD2 2.78Å; H297-D403 PolarHBondContact CE1-OD2 3.44Å; H297-D403 IonicContact NE2-OD1 3.64Å; H297-D403 IonicContact NE2-OD2 2.68Å; H297-D403 PolarHBondContact NE2-OD2 2.84Å; H297-D403 VanDerWaalsContact NE2-OD2 3.17Å
298	P	94.6	Very high	97.3	Very high	124 Å²	124	40.1 Å²	40.1	81%	0.805	22%	0.216	S	C	*	.			trans	-49.3	121.9	176.3	-28.5	35.7	0	0	0	112.1
299	N	95.9	Very high	97.3	Very high	22 Å²	22	41 Å²	41	12%	0.118	22%	0.224	C	C	.	.			trans	-138.8	114.3	-176.8	-166	-54.5	0	0	0	110.8	H297 Y301 Y302 H303	H297-N299 PolarHBondContact O-N 3.31Å; H297-N299 VanDerWaalsContact O-N 3.11Å; N299-Y301 VanDerWaalsContact C-N 3.27Å; N299-Y301 PolarHBondContact O-N 2.92Å; N299-Y301 PolarHBondContact OD1-N 3.13Å; N299-Y301 VanDerWaalsContact OD1-N 3.08Å; N299-Y302 WeakPolarHBondContact OD1-CD2 3.32Å; N299-Y302 PolarHBondContact OD1-N 3.28Å; N299-H303 WeakPolarHBondContact O-CB 3.49Å; N299-H303 PolarHBondContact O-N 2.85Å
300	S	95.5	Very high	97.3	Very high	119 Å²	119	40 Å²	40	83%	0.832	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.6	-174.6	54.1	0	0	0	0	114.6	P304	S300-P304 WeakPolarHBondContact O-CG 3.43Å
301	Y	96.3	Very high	97.3	Very high	125 Å²	125	40 Å²	40	49%	0.49	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-52.1	178.7	177.7	-98.7	0	0	0	111.9	N299 P304 V305 F306	N299-Y301 VanDerWaalsContact C-N 3.27Å; N299-Y301 PolarHBondContact O-N 2.92Å; N299-Y301 PolarHBondContact OD1-N 3.13Å; N299-Y301 VanDerWaalsContact OD1-N 3.08Å; Y301-P304 WeakPolarHBondContact O-CD 3.12Å; Y301-V305 HydrophobicContact CD2-CG2 4.16Å; Y301-V305 HydrophobicContact CE2-CG2 4.01Å; Y301-V305 VanDerWaalsContact O-CB 3.31Å; Y301-V305 WeakPolarHBondContact O-CB 3.49Å; Y301-V305 VanDerWaalsContact O-CG2 3.3Å; Y301-V305 WeakPolarHBondContact O-CG2 3.32Å; Y301-V305 PolarHBondContact O-N 2.79Å; Y301-V305 VanDerWaalsContact O-N 3.1Å; Y301-F306 HydrophobicContact CE1-CD2 4.5Å; Y301-F306 AromaticContact CE1-CE2 3.87Å; Y301-F306 HydrophobicContact CE1-CE2 3.87Å
302	Y	98.1	Very high	97.3	Very high	21 Å²	21	47.7 Å²	47.7	8%	0.082	25%	0.25	C	C	.	.	H	α-helix	trans	-72.3	-35.5	-172.3	-75.3	-94.6	0	0	0	112.7	K294 N299 F306 G307 D348 H350 W351	K294-Y302 HydrophobicContact CB-CD1 3.86Å; K294-Y302 HydrophobicContact CB-CE1 4.42Å; K294-Y302 HydrophobicContact CB-CG 3.91Å; K294-Y302 HydrophobicContact CD-CD1 3.93Å; K294-Y302 HydrophobicContact CD-CD2 3.58Å; K294-Y302 HydrophobicContact CD-CE1 3.84Å; K294-Y302 HydrophobicContact CD-CE2 3.51Å; K294-Y302 HydrophobicContact CD-CG 3.8Å; K294-Y302 VanDerWaalsContact CE-CE2 3.49Å; K294-Y302 HydrophobicContact CG-CD1 3.73Å; K294-Y302 HydrophobicContact CG-CD2 4.28Å; K294-Y302 HydrophobicContact CG-CE1 3.78Å; K294-Y302 HydrophobicContact CG-CE2 4.35Å; K294-Y302 HydrophobicContact CG-CG 3.98Å; N299-Y302 WeakPolarHBondContact OD1-CD2 3.32Å; N299-Y302 PolarHBondContact OD1-N 3.28Å; Y302-F306 AromaticContact CD1-CD2 3.79Å; Y302-F306 HydrophobicContact CD1-CD2 3.79Å; Y302-F306 HydrophobicContact CD1-CE2 4.13Å; Y302-F306 HydrophobicContact CD1-CG 4.36Å; Y302-F306 HydrophobicContact CE1-CD2 4.29Å; Y302-F306 HydrophobicContact CE1-CE2 4.17Å; Y302-F306 HydrophobicContact CG-CD2 4.48Å; Y302-F306 CarbonylContact O-C 3.6Å; Y302-F306 WeakPolarHBondContact O-CA 3.39Å; Y302-F306 WeakPolarHBondContact O-CB 3.35Å; Y302-F306 PolarHBondContact O-N 2.94Å; Y302-G307 PolarHBondContact O-N 3.18Å; Y302-D348 PolarHBondContact OH-OD2 3.16Å; Y302-H350 AromaticContact CZ-ND1 3.95Å; Y302-H350 PolarHBondContact OH-CE1 3.49Å; Y302-H350 PolarHBondContact OH-ND1 3.11Å; Y302-W351 HydrophobicContact CD1-CH2 4.24Å; Y302-W351 HydrophobicContact CD1-CZ3 4.34Å; Y302-W351 HydrophobicContact CE1-CH2 4.05Å; Y302-W351 HydrophobicContact CE1-CZ3 4.03Å
303	H	98.1	Very high	97.3	Very high	16 Å²	16	51.1 Å²	51.1	7%	0.074	27%	0.266	C	S	.	.	I	π-helix	trans	-67.4	-49.9	178	-60.5	-179.7	0	0	0	111.4	K294 H297 N299 V305 G307 K308 N325 G326	K294-H303 PolarHBondContact O-CD2 2.91Å; K294-H303 PolarHBondContact O-NE2 3.23Å; H297-H303 PolarHBondContact O-CE1 3.28Å; H297-H303 PolarHBondContact O-NE2 3.33Å; H297-H303 VanDerWaalsContact O-NE2 3.14Å; N299-H303 WeakPolarHBondContact O-CB 3.49Å; N299-H303 PolarHBondContact O-N 2.85Å; H303-V305 PolarHBondContact O-N 3.29Å; H303-G307 CarbonylContact O-C 3.59Å; H303-G307 VanDerWaalsContact O-CA 3.26Å; H303-G307 WeakPolarHBondContact O-CA 3Å; H303-G307 PolarHBondContact O-N 3.15Å; H303-G307 VanDerWaalsContact O-N 3.08Å; H303-K308 PolarHBondContact O-N 3.38Å; H303-N325 WeakPolarHBondContact CB-O 3.46Å; H303-G326 WeakPolarHBondContact O-CA 3.33Å
304	P	97.3	Very high	97.3	Very high	57 Å²	57	52 Å²	52	37%	0.37	27%	0.268	S	S	.	.	I	π-helix	trans	-67.5	-37.8	179.9	-23.8	37.2	0	0	0	114.3	S300 Y301 K308	S300-P304 WeakPolarHBondContact O-CG 3.43Å; Y301-P304 WeakPolarHBondContact O-CD 3.12Å; P304-K308 WeakPolarHBondContact O-CD 3.31Å
305	V	97.5	Very high	97.3	Very high	59 Å²	59	53.1 Å²	53.1	36%	0.358	27%	0.271	S	S	.	.	I	π-helix	trans	-84	-53.6	-174.9	178.1	0	0	0	0	111.6	Y301 H303 V345	Y301-V305 HydrophobicContact CD2-CG2 4.16Å; Y301-V305 HydrophobicContact CE2-CG2 4.01Å; Y301-V305 VanDerWaalsContact O-CB 3.31Å; Y301-V305 WeakPolarHBondContact O-CB 3.49Å; Y301-V305 VanDerWaalsContact O-CG2 3.3Å; Y301-V305 WeakPolarHBondContact O-CG2 3.32Å; Y301-V305 PolarHBondContact O-N 2.79Å; Y301-V305 VanDerWaalsContact O-N 3.1Å; H303-V305 PolarHBondContact O-N 3.29Å; V305-V345 HydrophobicContact CG1-CG1 4.29Å; V305-V345 WeakPolarHBondContact O-CG2 3.34Å
306	F	98.5	Very high	97.2	Very high	8 Å²	8	58 Å²	58	4%	0.035	30%	0.304	C	S	.	.	I	π-helix	trans	-94.4	-47.9	-175.3	-67.5	-97.8	0	0	0	111.4	F295 Y301 Y302 K308 A309 I310 Y337 V345 D348 W351	F295-F306 HydrophobicContact CE1-CB 3.94Å; F295-F306 HydrophobicContact CZ-CB 3.82Å; Y301-F306 HydrophobicContact CE1-CD2 4.5Å; Y301-F306 AromaticContact CE1-CE2 3.87Å; Y301-F306 HydrophobicContact CE1-CE2 3.87Å; Y302-F306 AromaticContact CD1-CD2 3.79Å; Y302-F306 HydrophobicContact CD1-CD2 3.79Å; Y302-F306 HydrophobicContact CD1-CE2 4.13Å; Y302-F306 HydrophobicContact CD1-CG 4.36Å; Y302-F306 HydrophobicContact CE1-CD2 4.29Å; Y302-F306 HydrophobicContact CE1-CE2 4.17Å; Y302-F306 HydrophobicContact CG-CD2 4.48Å; Y302-F306 CarbonylContact O-C 3.6Å; Y302-F306 WeakPolarHBondContact O-CA 3.39Å; Y302-F306 WeakPolarHBondContact O-CB 3.35Å; Y302-F306 PolarHBondContact O-N 2.94Å; F306-K308 PolarHBondContact O-N 2.9Å; F306-A309 PolarHBondContact O-N 3.1Å; F306-A309 VanDerWaalsContact O-N 3.15Å; F306-I310 HydrophobicContact CB-CD1 4.22Å; F306-I310 WeakPolarHBondContact O-CB 3.43Å; F306-I310 WeakPolarHBondContact O-CG1 3.31Å; F306-I310 PolarHBondContact O-N 3.05Å; F306-Y337 HydrophobicContact CD1-CE1 4.43Å; F306-Y337 AromaticContact CD1-CZ 3.92Å; F306-Y337 VanDerWaalsContact CD1-OH 3.3Å; F306-Y337 WeakPolarHBondContact CD1-OH 3.42Å; F306-Y337 VanDerWaalsContact CE1-OH 3.26Å; F306-Y337 WeakPolarHBondContact CE1-OH 3.07Å; F306-V345 HydrophobicContact CD1-CB 3.93Å; F306-V345 HydrophobicContact CD1-CG1 3.63Å; F306-V345 HydrophobicContact CE1-CB 4Å; F306-V345 HydrophobicContact CE1-CG1 3.31Å; F306-V345 HydrophobicContact CE2-CG1 4.3Å; F306-V345 HydrophobicContact CG-CG1 4.26Å; F306-V345 HydrophobicContact CZ-CG1 3.69Å; F306-D348 HydrophobicContact CE1-CB 4.21Å; F306-D348 HydrophobicContact CZ-CB 4.08Å; F306-W351 AromaticContact CD1-CH2 3.73Å; F306-W351 HydrophobicContact CD1-CH2 3.73Å; F306-W351 AromaticContact CD1-CZ2 3.7Å; F306-W351 HydrophobicContact CD1-CZ2 3.7Å; F306-W351 AromaticContact CE1-CH2 3.76Å; F306-W351 HydrophobicContact CE1-CH2 3.76Å; F306-W351 AromaticContact CE1-CZ2 3.51Å; F306-W351 HydrophobicContact CE1-CZ2 3.51Å; F306-W351 HydrophobicContact CG-CH2 4.23Å; F306-W351 HydrophobicContact CZ-CH2 4.28Å; F306-W351 HydrophobicContact CZ-CZ2 4.31Å
307	G	98.3	Very high	97.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.33	C	S	.	.	I	π-helix	trans	-60.4	-46.4	-171.8	0	0	0	0	0	113.3	Y302 H303 A309 I310 I311 G326 V329	Y302-G307 PolarHBondContact O-N 3.18Å; H303-G307 CarbonylContact O-C 3.59Å; H303-G307 VanDerWaalsContact O-CA 3.26Å; H303-G307 WeakPolarHBondContact O-CA 3Å; H303-G307 PolarHBondContact O-N 3.15Å; H303-G307 VanDerWaalsContact O-N 3.08Å; G307-A309 VanDerWaalsContact C-N 3.35Å; G307-A309 PolarHBondContact O-N 3.48Å; G307-I310 PolarHBondContact O-N 3.42Å; G307-I311 WeakPolarHBondContact O-CB 3.38Å; G307-I311 VanDerWaalsContact O-CG1 3.26Å; G307-I311 WeakPolarHBondContact O-CG1 3.17Å; G307-I311 PolarHBondContact O-N 3.08Å; G307-G326 CarbonylContact C-O 3.6Å; G307-G326 VanDerWaalsContact CA-O 3.29Å; G307-G326 WeakPolarHBondContact CA-O 3.29Å; G307-V329 VanDerWaalsContact CA-CG2 3.47Å
308	K	98.1	Very high	97.1	Very high	75 Å²	75	61.7 Å²	61.7	33%	0.326	33%	0.33	S	S	.	.	H	α-helix	trans	-56.8	-47.8	174	-65.8	-172.3	-173.5	-162	0	112.3	H303 P304 F306 I311 K312 L323 I324	H303-K308 PolarHBondContact O-N 3.38Å; P304-K308 WeakPolarHBondContact O-CD 3.31Å; F306-K308 PolarHBondContact O-N 2.9Å; K308-I311 PolarHBondContact O-N 2.99Å; K308-K312 WeakPolarHBondContact O-CB 3.4Å; K308-K312 PolarHBondContact O-N 3.17Å; K308-L323 WeakPolarHBondContact CG-O 3.27Å; K308-I324 WeakPolarHBondContact CE-O 3.04Å; K308-I324 PolarHBondContact NZ-O 2.66Å
309	A	98.1	Very high	97.1	Very high	21 Å²	21	59.1 Å²	59.1	17%	0.174	31%	0.314	C	S	.	.	H	α-helix	trans	-66.1	-39.4	-176.9	0	0	0	0	0	112	F306 G307 K313 P344 V345	F306-A309 PolarHBondContact O-N 3.1Å; F306-A309 VanDerWaalsContact O-N 3.15Å; G307-A309 VanDerWaalsContact C-N 3.35Å; G307-A309 PolarHBondContact O-N 3.48Å; A309-K313 WeakPolarHBondContact O-CB 3.5Å; A309-K313 PolarHBondContact O-N 3.08Å; A309-P344 HydrophobicContact CB-CB 4.06Å; A309-P344 HydrophobicContact CB-CG 3.97Å; A309-V345 HydrophobicContact CB-CG2 3.51Å
310	I	98.6	Very high	97	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65.3	-53.8	175.7	-66.9	167.9	0	0	0	109.9	F295 F306 G307 K312 K313 Y314 V329 E333 F334 Y337	F295-I310 HydrophobicContact CE1-CD1 4.26Å; F295-I310 HydrophobicContact CZ-CD1 3.92Å; F306-I310 HydrophobicContact CB-CD1 4.22Å; F306-I310 WeakPolarHBondContact O-CB 3.43Å; F306-I310 WeakPolarHBondContact O-CG1 3.31Å; F306-I310 PolarHBondContact O-N 3.05Å; G307-I310 PolarHBondContact O-N 3.42Å; I310-K312 PolarHBondContact O-N 2.89Å; I310-K313 PolarHBondContact O-N 3.32Å; I310-Y314 HydrophobicContact CB-CD2 4.46Å; I310-Y314 HydrophobicContact CG2-CD2 3.99Å; I310-Y314 WeakPolarHBondContact O-CD2 3.39Å; I310-Y314 PolarHBondContact O-N 3.39Å; I310-V329 HydrophobicContact CB-CG1 4.4Å; I310-V329 HydrophobicContact CD1-CG1 4.43Å; I310-V329 HydrophobicContact CG2-CG1 3.68Å; I310-E333 HydrophobicContact CG2-CB 3.77Å; I310-F334 HydrophobicContact CD1-CD2 4.23Å; I310-Y337 HydrophobicContact CD1-CD1 4.11Å; I310-Y337 HydrophobicContact CD1-CD2 4.16Å; I310-Y337 HydrophobicContact CD1-CG 3.89Å; I310-Y337 HydrophobicContact CG1-CD1 4.38Å; I310-Y337 HydrophobicContact CG1-CD2 3.57Å; I310-Y337 HydrophobicContact CG1-CE2 4.21Å; I310-Y337 HydrophobicContact CG1-CG 3.67Å
311	I	98.5	Very high	96.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-48.2	-178.3	-67.5	170	0	0	0	110.2	G307 K308 K313 R315 A318 A322 L323 S327 V329	G307-I311 WeakPolarHBondContact O-CB 3.38Å; G307-I311 VanDerWaalsContact O-CG1 3.26Å; G307-I311 WeakPolarHBondContact O-CG1 3.17Å; G307-I311 PolarHBondContact O-N 3.08Å; K308-I311 PolarHBondContact O-N 2.99Å; I311-K313 PolarHBondContact O-N 2.74Å; I311-R315 HydrophobicContact CG2-CB 4.07Å; I311-R315 VanDerWaalsContact O-CB 3.23Å; I311-R315 WeakPolarHBondContact O-CB 3.18Å; I311-R315 PolarHBondContact O-N 2.86Å; I311-A318 HydrophobicContact CG2-CB 3.69Å; I311-A322 HydrophobicContact CD1-CB 4.32Å; I311-A322 HydrophobicContact CG2-CB 4.28Å; I311-L323 HydrophobicContact CG2-CD2 4.08Å; I311-S327 VanDerWaalsContact CD1-O 3.27Å; I311-S327 WeakPolarHBondContact CD1-O 3.4Å; I311-V329 HydrophobicContact CD1-CG2 3.97Å; I311-V329 HydrophobicContact CG1-CG2 4.04Å
312	K	97.9	Very high	96.8	Very high	168 Å²	168	58.3 Å²	58.3	73%	0.73	30%	0.302	S	S	*	.	H	α-helix	trans	-57.3	-35.9	-179.7	-177.4	173.8	-179.2	175.4	0	113.1	K308 I310 L323	K308-K312 WeakPolarHBondContact O-CB 3.4Å; K308-K312 PolarHBondContact O-N 3.17Å; I310-K312 PolarHBondContact O-N 2.89Å; K312-L323 HydrophobicContact CB-CD2 3.94Å; K312-L323 HydrophobicContact CG-CD2 4.42Å
313	K	98.1	Very high	96.6	Very high	98 Å²	98	59.8 Å²	59.8	43%	0.426	31%	0.312	S	S	.	.	H	α-helix	trans	-89.3	-39	-176	-168.6	173	-176.5	-172	0	113.3	A309 I310 I311 D340 H342 P344	A309-K313 WeakPolarHBondContact O-CB 3.5Å; A309-K313 PolarHBondContact O-N 3.08Å; I310-K313 PolarHBondContact O-N 3.32Å; I311-K313 PolarHBondContact O-N 2.74Å; K313-D340 WeakPolarHBondContact CE-OD2 3.42Å; K313-D340 IonicContact NZ-OD1 3.91Å; K313-D340 IonicContact NZ-OD2 3.17Å; K313-D340 PolarHBondContact NZ-OD2 2.63Å; K313-H342 PolarHBondContact NZ-O 2.92Å; K313-P344 HydrophobicContact CB-CG 4.49Å; K313-P344 HydrophobicContact CD-CB 4.35Å; K313-P344 HydrophobicContact CD-CG 4.06Å
314	Y	97.7	Very high	96.4	Very high	41 Å²	41	63.9 Å²	63.9	16%	0.161	33%	0.333	C	S	.	.	H	α-helix	trans	-110.7	-8.7	-167.6	-52.4	-72.9	0	0	0	114.3	I310 P316 H336 Y337 D340 P344	I310-Y314 HydrophobicContact CB-CD2 4.46Å; I310-Y314 HydrophobicContact CG2-CD2 3.99Å; I310-Y314 WeakPolarHBondContact O-CD2 3.39Å; I310-Y314 PolarHBondContact O-N 3.39Å; Y314-P316 WeakPolarHBondContact O-CD 3.46Å; Y314-H336 HydrophobicContact CD1-CB 3.66Å; Y314-H336 HydrophobicContact CE1-CB 3.97Å; Y314-H336 HydrophobicContact CG-CB 4.02Å; Y314-Y337 HydrophobicContact CE2-CD2 4.22Å; Y314-Y337 HydrophobicContact CE2-CG 4.45Å; Y314-D340 VanDerWaalsContact OH-CB 3.27Å; Y314-D340 WeakPolarHBondContact OH-CB 3.22Å; Y314-D340 PolarHBondContact OH-OD2 2.93Å; Y314-P344 HydrophobicContact CE2-CG 4.39Å; Y314-P344 WeakPolarHBondContact OH-CD 3.45Å
315	R	97.4	Very high	96.2	Very high	40 Å²	40	64.4 Å²	64.4	15%	0.151	33%	0.332	C	S	.	.			trans	-103.2	108.7	176.6	-172.4	178.5	-62	169.2	2.6	111.1	I311 A318 G328 E333	I311-R315 HydrophobicContact CG2-CB 4.07Å; I311-R315 VanDerWaalsContact O-CB 3.23Å; I311-R315 WeakPolarHBondContact O-CB 3.18Å; I311-R315 PolarHBondContact O-N 2.86Å; R315-A318 HydrophobicContact CB-CB 4.18Å; R315-A318 HydrophobicContact CG-CB 4.01Å; R315-G328 PolarHBondContact NH2-O 3.44Å; R315-E333 WeakPolarHBondContact CB-OE1 3.44Å; R315-E333 IonicContact CZ-OE1 2.73Å; R315-E333 IonicContact CZ-OE2 3.33Å; R315-E333 IonicContact NE-OE1 3.69Å; R315-E333 PolarHBondContact NE-OE1 3.22Å; R315-E333 IonicContact NE-OE2 2.72Å; R315-E333 IonicContact NH2-OE1 2.67Å; R315-E333 PolarHBondContact NH2-OE1 2.62Å; R315-E333 IonicContact NH2-OE2 3.83Å; R315-E333 PolarHBondContact NH2-OE2 3.34Å
316	P	94.9	Very high	96.1	Very high	108 Å²	108	61.6 Å²	61.6	70%	0.701	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	141	170.6	28.7	-33.2	0	0	0	109.9	Y314 A318	Y314-P316 WeakPolarHBondContact O-CD 3.46Å; P316-A318 VanDerWaalsContact C-N 3.28Å; P316-A318 PolarHBondContact O-N 3.12Å
317	N	94.3	Very high	96	Very high	172 Å²	172	63.2 Å²	63.2	92%	0.92	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	42.4	177.7	-53.2	-32.5	0	0	0	113.5
318	A	95.1	Very high	95.9	Very high	22 Å²	22	65.4 Å²	65.4	18%	0.182	35%	0.351	C	S	.	.			trans	-61.2	136.7	174.6	0	0	0	0	0	110.8	I311 R315 P316 L323	I311-A318 HydrophobicContact CG2-CB 3.69Å; R315-A318 HydrophobicContact CB-CB 4.18Å; R315-A318 HydrophobicContact CG-CB 4.01Å; P316-A318 VanDerWaalsContact C-N 3.28Å; P316-A318 PolarHBondContact O-N 3.12Å; A318-L323 HydrophobicContact CB-CD1 4.25Å; A318-L323 HydrophobicContact CB-CD2 3.89Å; A318-L323 HydrophobicContact CB-CG 3.92Å
319	C	94.6	Very high	95.9	Very high	70 Å²	70	62.2 Å²	62.2	47%	0.473	34%	0.337	S	S	.	.			trans	-67.3	151.9	173.7	67.2	0	0	0	0	111.2	E321 A322 L323	C319-E321 VanDerWaalsContact C-N 3.25Å; C319-E321 WeakPolarHBondContact CB-OE2 3.26Å; C319-E321 PolarHBondContact O-N 3.36Å; C319-E321 PolarHBondContact SG-OE2 2.84Å; C319-A322 PolarHBondContact O-N 2.94Å; C319-A322 VanDerWaalsContact O-N 3.12Å; C319-A322 VanDerWaalsContact SG-CB 3.58Å; C319-L323 PolarHBondContact O-N 3.42Å
320	E	94.4	Very high	95.9	Very high	117 Å²	117	69.2 Å²	69.2	55%	0.547	36%	0.359	S	S	.	.	H	α-helix	trans	-58.9	-39.1	-175.3	-171.3	58.5	-149.9	0	0	111.3	A322 L323 I324	E320-A322 VanDerWaalsContact C-N 3.32Å; E320-A322 PolarHBondContact O-N 3.28Å; E320-L323 PolarHBondContact O-N 3.22Å; E320-L323 VanDerWaalsContact O-N 3.15Å; E320-I324 HydrophobicContact CG-CD1 3.73Å; E320-I324 HydrophobicContact CG-CG1 4.33Å; E320-I324 WeakPolarHBondContact O-CB 3.39Å; E320-I324 VanDerWaalsContact O-CG1 3.29Å; E320-I324 WeakPolarHBondContact O-CG1 3.5Å; E320-I324 PolarHBondContact O-N 3.31Å
321	E	93.4	Very high	95.9	Very high	124 Å²	124	70 Å²	70	58%	0.579	36%	0.362	S	S	*	.	H	α-helix	trans	-60.4	-43.2	178.9	-58.2	76.5	-164.1	0	0	111.6	C319 L323 I324 N325	C319-E321 VanDerWaalsContact C-N 3.25Å; C319-E321 WeakPolarHBondContact CB-OE2 3.26Å; C319-E321 PolarHBondContact O-N 3.36Å; C319-E321 PolarHBondContact SG-OE2 2.84Å; E321-L323 VanDerWaalsContact C-N 3.33Å; E321-L323 PolarHBondContact O-N 2.85Å; E321-I324 PolarHBondContact O-N 2.79Å; E321-N325 PolarHBondContact O-N 3.49Å; E321-N325 PolarHBondContact O-ND2 2.58Å; E321-N325 VanDerWaalsContact O-ND2 3.14Å; E321-N325 PolarHBondContact O-OD1 3.29Å; E321-N325 VanDerWaalsContact O-OD1 3.13Å
322	A	93.5	Very high	95.8	Very high	7 Å²	7	73.7 Å²	73.7	6%	0.058	38%	0.379	C	S	.	.	H	α-helix	trans	-67.9	-33.6	179.3	0	0	0	0	0	112	I311 C319 E320 G326	I311-A322 HydrophobicContact CD1-CB 4.32Å; I311-A322 HydrophobicContact CG2-CB 4.28Å; C319-A322 PolarHBondContact O-N 2.94Å; C319-A322 VanDerWaalsContact O-N 3.12Å; C319-A322 VanDerWaalsContact SG-CB 3.58Å; E320-A322 VanDerWaalsContact C-N 3.32Å; E320-A322 PolarHBondContact O-N 3.28Å; A322-G326 VanDerWaalsContact O-CA 3.24Å; A322-G326 WeakPolarHBondContact O-CA 3.26Å; A322-G326 PolarHBondContact O-N 2.89Å
323	L	94.1	Very high	95.9	Very high	53 Å²	53	66.3 Å²	66.3	28%	0.277	35%	0.347	S	S	.	.	H	α-helix	trans	-70.9	-35	173.7	-66.2	172.3	0	0	0	111.8	K308 I311 K312 A318 C319 E320 E321	K308-L323 WeakPolarHBondContact CG-O 3.27Å; I311-L323 HydrophobicContact CG2-CD2 4.08Å; K312-L323 HydrophobicContact CB-CD2 3.94Å; K312-L323 HydrophobicContact CG-CD2 4.42Å; A318-L323 HydrophobicContact CB-CD1 4.25Å; A318-L323 HydrophobicContact CB-CD2 3.89Å; A318-L323 HydrophobicContact CB-CG 3.92Å; C319-L323 PolarHBondContact O-N 3.42Å; E320-L323 PolarHBondContact O-N 3.22Å; E320-L323 VanDerWaalsContact O-N 3.15Å; E321-L323 VanDerWaalsContact C-N 3.33Å; E321-L323 PolarHBondContact O-N 2.85Å
324	I	93.3	Very high	95.9	Very high	101 Å²	101	61.6 Å²	61.6	52%	0.518	33%	0.326	S	S	.	.	H	α-helix	trans	-77.5	-37.2	179.6	-70.7	173.1	0	0	0	112.5	K308 E320 E321	K308-I324 WeakPolarHBondContact CE-O 3.04Å; K308-I324 PolarHBondContact NZ-O 2.66Å; E320-I324 HydrophobicContact CG-CD1 3.73Å; E320-I324 HydrophobicContact CG-CG1 4.33Å; E320-I324 WeakPolarHBondContact O-CB 3.39Å; E320-I324 VanDerWaalsContact O-CG1 3.29Å; E320-I324 WeakPolarHBondContact O-CG1 3.5Å; E320-I324 PolarHBondContact O-N 3.31Å; E321-I324 PolarHBondContact O-N 2.79Å
325	N	93.9	Very high	95.9	Very high	68 Å²	68	59.7 Å²	59.7	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-104.1	-23.5	-175.3	68.2	30.3	0	0	0	113.6	H303 E321 S327	H303-N325 WeakPolarHBondContact CB-O 3.46Å; E321-N325 PolarHBondContact O-N 3.49Å; E321-N325 PolarHBondContact O-ND2 2.58Å; E321-N325 VanDerWaalsContact O-ND2 3.14Å; E321-N325 PolarHBondContact O-OD1 3.29Å; E321-N325 VanDerWaalsContact O-OD1 3.13Å; N325-S327 VanDerWaalsContact CG-OG 3.22Å; N325-S327 PolarHBondContact ND2-OG 3.04Å; N325-S327 PolarHBondContact O-N 3.44Å; N325-S327 WeakPolarHBondContact OD1-CB 3.38Å; N325-S327 PolarHBondContact OD1-N 3.48Å; N325-S327 PolarHBondContact OD1-OG 3.12Å
326	G	96.1	Very high	96	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.326	C	S	.	.			trans	70.8	13.6	-177.9	0	0	0	0	0	114.7	H303 G307 A322	H303-G326 WeakPolarHBondContact O-CA 3.33Å; G307-G326 CarbonylContact C-O 3.6Å; G307-G326 VanDerWaalsContact CA-O 3.29Å; G307-G326 WeakPolarHBondContact CA-O 3.29Å; A322-G326 VanDerWaalsContact O-CA 3.24Å; A322-G326 WeakPolarHBondContact O-CA 3.26Å; A322-G326 PolarHBondContact O-N 2.89Å
327	S	95.9	Very high	96.2	Very high	43 Å²	43	55.8 Å²	55.8	30%	0.301	29%	0.293	S	S	.	.			trans	-85.8	159.3	179	72	0	0	0	0	112.1	I311 N325	I311-S327 VanDerWaalsContact CD1-O 3.27Å; I311-S327 WeakPolarHBondContact CD1-O 3.4Å; N325-S327 VanDerWaalsContact CG-OG 3.22Å; N325-S327 PolarHBondContact ND2-OG 3.04Å; N325-S327 PolarHBondContact O-N 3.44Å; N325-S327 WeakPolarHBondContact OD1-CB 3.38Å; N325-S327 PolarHBondContact OD1-N 3.48Å; N325-S327 PolarHBondContact OD1-OG 3.12Å
328	G	96.2	Very high	96.4	Very high	46 Å²	46	47.6 Å²	47.6	47%	0.474	25%	0.249	S	C	.	.			trans	73.1	28.7	176.7	0	0	0	0	0	113.6	R315 R330	R315-G328 PolarHBondContact NH2-O 3.44Å; G328-R330 PolarHBondContact O-N 3.41Å
329	V	97.9	Very high	96.5	Very high	8 Å²	8	49 Å²	49	5%	0.048	25%	0.253	C	S	.	.			trans	-54.6	130.7	168.6	-179.2	0	0	0	0	108.9	F291 F295 G307 I310 I311 E333 F334	F291-V329 HydrophobicContact CE2-CG1 4.24Å; F291-V329 VanDerWaalsContact CZ-O 3.29Å; F291-V329 WeakPolarHBondContact CZ-O 3.39Å; F295-V329 HydrophobicContact CB-CB 4.21Å; F295-V329 HydrophobicContact CD1-CB 3.98Å; F295-V329 HydrophobicContact CD1-CG1 4.5Å; F295-V329 HydrophobicContact CD1-CG2 3.64Å; F295-V329 HydrophobicContact CE1-CG2 4.07Å; F295-V329 HydrophobicContact CG-CB 4.17Å; F295-V329 HydrophobicContact CG-CG2 4.33Å; G307-V329 VanDerWaalsContact CA-CG2 3.47Å; I310-V329 HydrophobicContact CB-CG1 4.4Å; I310-V329 HydrophobicContact CD1-CG1 4.43Å; I310-V329 HydrophobicContact CG2-CG1 3.68Å; I311-V329 HydrophobicContact CD1-CG2 3.97Å; I311-V329 HydrophobicContact CG1-CG2 4.04Å; V329-E333 HydrophobicContact CG1-CB 4.45Å; V329-F334 HydrophobicContact CG1-CB 4.25Å
330	R	97.6	Very high	96.6	Very high	168 Å²	168	47.1 Å²	47.1	63%	0.634	24%	0.239	S	C	*	.			trans	-85.4	148.6	175.6	-60.9	175.3	-179.4	-177.7	0.2	109.6	G328 K332 E333 F334	G328-R330 PolarHBondContact O-N 3.41Å; R330-K332 VanDerWaalsContact C-N 3.26Å; R330-K332 PolarHBondContact O-N 2.6Å; R330-E333 HydrophobicContact CB-CG 4.08Å; R330-E333 PolarHBondContact N-OE2 3.27Å; R330-E333 WeakPolarHBondContact O-CB 3.25Å; R330-E333 PolarHBondContact O-N 3.44Å; R330-F334 PolarHBondContact O-N 2.76Å; R330-F334 VanDerWaalsContact O-N 3.07Å
331	F	98.3	Very high	96.7	Very high	15 Å²	15	46.3 Å²	46.3	7%	0.066	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-41	-179.8	-175.1	-114.8	0	0	0	112.4	L287 V288 F291 E333 F334 I335 Y414 L415 L418	L287-F331 HydrophobicContact CD2-CZ 4.28Å; L287-F331 HydrophobicContact CG-CE2 4.49Å; L287-F331 HydrophobicContact CG-CZ 4.5Å; V288-F331 HydrophobicContact CG2-CE2 4.14Å; V288-F331 HydrophobicContact CG2-CZ 3.85Å; F291-F331 HydrophobicContact CB-CD2 3.92Å; F291-F331 HydrophobicContact CB-CE2 4.04Å; F291-F331 HydrophobicContact CD1-CB 4.39Å; F291-F331 AromaticContact CD1-CD2 3.77Å; F291-F331 HydrophobicContact CD1-CD2 3.77Å; F291-F331 AromaticContact CD2-CD2 3.87Å; F291-F331 HydrophobicContact CD2-CD2 3.87Å; F291-F331 HydrophobicContact CE1-CB 4.04Å; F291-F331 HydrophobicContact CE1-CD2 4.26Å; F291-F331 HydrophobicContact CE2-CB 4.31Å; F291-F331 HydrophobicContact CE2-CD2 4.34Å; F291-F331 AromaticContact CG-CD2 3.56Å; F291-F331 HydrophobicContact CG-CD2 3.56Å; F291-F331 HydrophobicContact CG-CE2 4.19Å; F291-F331 HydrophobicContact CZ-CB 3.98Å; F331-E333 VanDerWaalsContact C-N 3.33Å; F331-E333 PolarHBondContact O-N 3.26Å; F331-F334 HydrophobicContact CD2-CD1 4.13Å; F331-F334 HydrophobicContact CE2-CD1 4.09Å; F331-F334 CarbonylContact O-C 3.6Å; F331-F334 WeakPolarHBondContact O-CB 3.45Å; F331-F334 PolarHBondContact O-N 2.98Å; F331-F334 VanDerWaalsContact O-N 3.13Å; F331-I335 HydrophobicContact CD1-CG1 4.13Å; F331-I335 HydrophobicContact CE1-CD1 3.99Å; F331-I335 HydrophobicContact CE1-CG1 3.84Å; F331-I335 HydrophobicContact CE2-CD1 4.02Å; F331-I335 HydrophobicContact CE2-CG1 4.41Å; F331-I335 HydrophobicContact CZ-CD1 3.64Å; F331-I335 HydrophobicContact CZ-CG1 4Å; F331-I335 WeakPolarHBondContact O-CG1 3.39Å; F331-I335 PolarHBondContact O-N 3.04Å; F331-Y414 HydrophobicContact CB-CD1 3.81Å; F331-Y414 HydrophobicContact CD1-CD1 4.09Å; F331-Y414 HydrophobicContact CD1-CG 4.37Å; F331-Y414 WeakPolarHBondContact CD1-O 3.16Å; F331-Y414 AromaticContact CD2-CD1 3.94Å; F331-Y414 HydrophobicContact CD2-CD1 3.94Å; F331-Y414 AromaticContact CG-CD1 3.68Å; F331-Y414 HydrophobicContact CG-CD1 3.68Å; F331-Y414 HydrophobicContact CG-CG 4.38Å; F331-L415 HydrophobicContact CE1-CD2 4.3Å; F331-L418 HydrophobicContact CD1-CD1 4.34Å; F331-L418 HydrophobicContact CE1-CD1 3.9Å
332	K	98.1	Very high	96.8	Very high	78 Å²	78	47.4 Å²	47.4	34%	0.339	25%	0.251	S	S	.	.	H	α-helix	trans	-57.9	-41.9	175.5	-172.6	168.9	-169.3	160.1	0	113.4	R330 F334 I335 H336 L418 E422	R330-K332 VanDerWaalsContact C-N 3.26Å; R330-K332 PolarHBondContact O-N 2.6Å; K332-F334 VanDerWaalsContact C-N 3.33Å; K332-I335 PolarHBondContact O-N 3.29Å; K332-H336 PolarHBondContact O-N 2.69Å; K332-L418 HydrophobicContact CB-CD2 3.97Å; K332-L418 HydrophobicContact CD-CD2 4.47Å; K332-L418 HydrophobicContact CG-CD2 3.89Å; K332-E422 WeakPolarHBondContact CE-OE1 3.34Å; K332-E422 IonicContact NZ-OE1 3.4Å; K332-E422 IonicContact NZ-OE2 3.82Å
333	E	98.4	Very high	97	Very high	13 Å²	13	49.5 Å²	49.5	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-66.6	-38.5	177.1	-61.3	162	170	0	0	110.9	I310 R315 V329 R330 F331 I335 H336 Y337	I310-E333 HydrophobicContact CG2-CB 3.77Å; R315-E333 WeakPolarHBondContact CB-OE1 3.44Å; R315-E333 IonicContact CZ-OE1 2.73Å; R315-E333 IonicContact CZ-OE2 3.33Å; R315-E333 IonicContact NE-OE1 3.69Å; R315-E333 PolarHBondContact NE-OE1 3.22Å; R315-E333 IonicContact NE-OE2 2.72Å; R315-E333 IonicContact NH2-OE1 2.67Å; R315-E333 PolarHBondContact NH2-OE1 2.62Å; R315-E333 IonicContact NH2-OE2 3.83Å; R315-E333 PolarHBondContact NH2-OE2 3.34Å; V329-E333 HydrophobicContact CG1-CB 4.45Å; R330-E333 HydrophobicContact CB-CG 4.08Å; R330-E333 PolarHBondContact N-OE2 3.27Å; R330-E333 WeakPolarHBondContact O-CB 3.25Å; R330-E333 PolarHBondContact O-N 3.44Å; F331-E333 VanDerWaalsContact C-N 3.33Å; F331-E333 PolarHBondContact O-N 3.26Å; E333-I335 VanDerWaalsContact C-N 3.35Å; E333-H336 PolarHBondContact O-N 2.76Å; E333-Y337 WeakPolarHBondContact O-CB 3.42Å; E333-Y337 PolarHBondContact O-N 3.48Å
334	F	98.6	Very high	97.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-36.3	173.3	173.3	-115.3	0	0	0	112.6	L287 F291 F295 I310 V329 R330 F331 K332 Y337 L338 W351	L287-F334 HydrophobicContact CD1-CE1 3.51Å; L287-F334 HydrophobicContact CD1-CZ 3.98Å; L287-F334 HydrophobicContact CG-CE1 4.33Å; F291-F334 HydrophobicContact CB-CD1 4Å; F291-F334 HydrophobicContact CB-CE1 4Å; F291-F334 HydrophobicContact CD2-CB 3.77Å; F291-F334 AromaticContact CD2-CD1 3.63Å; F291-F334 HydrophobicContact CD2-CD1 3.63Å; F291-F334 HydrophobicContact CD2-CE1 4.37Å; F291-F334 AromaticContact CD2-CG 3.77Å; F291-F334 HydrophobicContact CD2-CG 3.77Å; F291-F334 HydrophobicContact CE2-CB 3.93Å; F291-F334 HydrophobicContact CE2-CG 4.42Å; F291-F334 HydrophobicContact CG-CD1 4.2Å; F295-F334 AromaticContact CE2-CD2 3.83Å; F295-F334 HydrophobicContact CE2-CD2 3.83Å; F295-F334 AromaticContact CE2-CE2 3.95Å; F295-F334 HydrophobicContact CE2-CE2 3.95Å; F295-F334 HydrophobicContact CE2-CG 4.48Å; F295-F334 HydrophobicContact CZ-CD2 4.46Å; I310-F334 HydrophobicContact CD1-CD2 4.23Å; V329-F334 HydrophobicContact CG1-CB 4.25Å; R330-F334 PolarHBondContact O-N 2.76Å; R330-F334 VanDerWaalsContact O-N 3.07Å; F331-F334 HydrophobicContact CD2-CD1 4.13Å; F331-F334 HydrophobicContact CE2-CD1 4.09Å; F331-F334 CarbonylContact O-C 3.6Å; F331-F334 WeakPolarHBondContact O-CB 3.45Å; F331-F334 PolarHBondContact O-N 2.98Å; F331-F334 VanDerWaalsContact O-N 3.13Å; K332-F334 VanDerWaalsContact C-N 3.33Å; F334-Y337 HydrophobicContact CD2-CD1 4.12Å; F334-Y337 HydrophobicContact CE2-CD1 4.22Å; F334-Y337 WeakPolarHBondContact O-CB 3.31Å; F334-Y337 PolarHBondContact O-N 3.46Å; F334-L338 WeakPolarHBondContact O-CB 3.11Å; F334-L338 PolarHBondContact O-N 3.42Å; F334-W351 AromaticContact CE2-CD2 3.88Å; F334-W351 HydrophobicContact CE2-CD2 3.88Å; F334-W351 AromaticContact CE2-CE3 3.88Å; F334-W351 HydrophobicContact CE2-CE3 3.88Å; F334-W351 HydrophobicContact CE2-CG 4.43Å; F334-W351 HydrophobicContact CE2-CH2 4.32Å; F334-W351 HydrophobicContact CE2-CZ2 4.29Å; F334-W351 HydrophobicContact CE2-CZ3 4.11Å; F334-W351 HydrophobicContact CZ-CB 4.21Å; F334-W351 AromaticContact CZ-CD2 3.8Å; F334-W351 HydrophobicContact CZ-CD2 3.8Å; F334-W351 AromaticContact CZ-CE3 3.76Å; F334-W351 HydrophobicContact CZ-CE3 3.76Å; F334-W351 HydrophobicContact CZ-CG 4.03Å; F334-W351 HydrophobicContact CZ-CZ3 4.38Å
335	I	98.5	Very high	97.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-44.4	173.3	-67.1	-48.7	0	0	0	111.5	L287 F331 K332 E333 Y337 L338 L339 L418 I426	L287-I335 HydrophobicContact CD2-CD1 3.73Å; F331-I335 HydrophobicContact CD1-CG1 4.13Å; F331-I335 HydrophobicContact CE1-CD1 3.99Å; F331-I335 HydrophobicContact CE1-CG1 3.84Å; F331-I335 HydrophobicContact CE2-CD1 4.02Å; F331-I335 HydrophobicContact CE2-CG1 4.41Å; F331-I335 HydrophobicContact CZ-CD1 3.64Å; F331-I335 HydrophobicContact CZ-CG1 4Å; F331-I335 WeakPolarHBondContact O-CG1 3.39Å; F331-I335 PolarHBondContact O-N 3.04Å; K332-I335 PolarHBondContact O-N 3.29Å; E333-I335 VanDerWaalsContact C-N 3.35Å; I335-Y337 VanDerWaalsContact C-N 3.28Å; I335-Y337 PolarHBondContact O-N 2.88Å; I335-L338 PolarHBondContact O-N 3Å; I335-L338 VanDerWaalsContact O-N 3.12Å; I335-L339 HydrophobicContact CG2-CD1 3.73Å; I335-L339 HydrophobicContact CG2-CG 4.34Å; I335-L339 WeakPolarHBondContact O-CG 3.47Å; I335-L339 PolarHBondContact O-N 3.26Å; I335-L418 HydrophobicContact CG1-CD1 3.99Å; I335-L418 HydrophobicContact CG1-CD2 4.3Å; I335-I426 HydrophobicContact CB-CD1 4.43Å; I335-I426 HydrophobicContact CD1-CD1 3.57Å; I335-I426 HydrophobicContact CD1-CG1 4.05Å; I335-I426 HydrophobicContact CG1-CD1 3.83Å; I335-I426 HydrophobicContact CG2-CD1 3.7Å; I335-I426 HydrophobicContact CG2-CG1 3.82Å
336	H	98.4	Very high	97.4	Very high	66 Å²	66	45.5 Å²	45.5	31%	0.306	25%	0.252	S	S	.	.	H	α-helix	trans	-58.8	-43.9	174.9	-67.1	166.5	0	0	0	111.1	Y314 K332 E333 L338 L339 D340 E422	Y314-H336 HydrophobicContact CD1-CB 3.66Å; Y314-H336 HydrophobicContact CE1-CB 3.97Å; Y314-H336 HydrophobicContact CG-CB 4.02Å; K332-H336 PolarHBondContact O-N 2.69Å; E333-H336 PolarHBondContact O-N 2.76Å; H336-L338 PolarHBondContact O-N 3.26Å; H336-L339 PolarHBondContact O-N 2.78Å; H336-D340 VanDerWaalsContact O-CB 3.28Å; H336-D340 WeakPolarHBondContact O-CB 3.37Å; H336-D340 PolarHBondContact O-N 2.81Å; H336-E422 IonicContact CD2-OE1 3.59Å; H336-E422 IonicContact CE1-OE1 3.92Å; H336-E422 IonicContact NE2-OE1 3.63Å; H336-E422 PolarHBondContact NE2-OE1 3.07Å
337	Y	98.6	Very high	97.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.8	-47	171.5	168.3	-92.8	0	0	0	113.5	F306 I310 Y314 E333 F334 I335 L339 D340 R343 P344 V345 G346 W351	F306-Y337 HydrophobicContact CD1-CE1 4.43Å; F306-Y337 AromaticContact CD1-CZ 3.92Å; F306-Y337 VanDerWaalsContact CD1-OH 3.3Å; F306-Y337 WeakPolarHBondContact CD1-OH 3.42Å; F306-Y337 VanDerWaalsContact CE1-OH 3.26Å; F306-Y337 WeakPolarHBondContact CE1-OH 3.07Å; I310-Y337 HydrophobicContact CD1-CD1 4.11Å; I310-Y337 HydrophobicContact CD1-CD2 4.16Å; I310-Y337 HydrophobicContact CD1-CG 3.89Å; I310-Y337 HydrophobicContact CG1-CD1 4.38Å; I310-Y337 HydrophobicContact CG1-CD2 3.57Å; I310-Y337 HydrophobicContact CG1-CE2 4.21Å; I310-Y337 HydrophobicContact CG1-CG 3.67Å; Y314-Y337 HydrophobicContact CE2-CD2 4.22Å; Y314-Y337 HydrophobicContact CE2-CG 4.45Å; E333-Y337 WeakPolarHBondContact O-CB 3.42Å; E333-Y337 PolarHBondContact O-N 3.48Å; F334-Y337 HydrophobicContact CD2-CD1 4.12Å; F334-Y337 HydrophobicContact CE2-CD1 4.22Å; F334-Y337 WeakPolarHBondContact O-CB 3.31Å; F334-Y337 PolarHBondContact O-N 3.46Å; I335-Y337 VanDerWaalsContact C-N 3.28Å; I335-Y337 PolarHBondContact O-N 2.88Å; Y337-L339 VanDerWaalsContact C-N 3.31Å; Y337-L339 PolarHBondContact O-N 2.72Å; Y337-D340 PolarHBondContact O-N 3.02Å; Y337-R343 HydrophobicContact CD2-CB 4.15Å; Y337-R343 HydrophobicContact CE2-CB 4Å; Y337-P344 HydrophobicContact CD2-CG 4.06Å; Y337-P344 HydrophobicContact CE2-CG 4.2Å; Y337-V345 HydrophobicContact CE2-CB 3.95Å; Y337-V345 WeakPolarHBondContact CE2-O 3.48Å; Y337-V345 VanDerWaalsContact OH-C 3.23Å; Y337-V345 WeakPolarHBondContact OH-CB 3.3Å; Y337-V345 PolarHBondContact OH-O 2.95Å; Y337-G346 PolarHBondContact OH-O 3.34Å; Y337-W351 AromaticContact CE1-CZ2 3.77Å; Y337-W351 HydrophobicContact CE1-CZ2 3.77Å; Y337-W351 AromaticContact CE1-NE1 3.96Å
338	L	98.4	Very high	97.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-37.8	-177.6	177.9	64.9	0	0	0	112.3	L287 F334 I335 H336 R343 M347 W351 F429 Y430	L287-L338 HydrophobicContact CD1-CD2 3.68Å; L287-L338 HydrophobicContact CD2-CD2 4.17Å; F334-L338 WeakPolarHBondContact O-CB 3.11Å; F334-L338 PolarHBondContact O-N 3.42Å; I335-L338 PolarHBondContact O-N 3Å; I335-L338 VanDerWaalsContact O-N 3.12Å; H336-L338 PolarHBondContact O-N 3.26Å; L338-R343 PolarHBondContact O-NH1 3.07Å; L338-R343 PolarHBondContact O-NH2 3.19Å; L338-M347 HydrophobicContact CD1-SD 4.19Å; L338-W351 HydrophobicContact CD1-CB 4.38Å; L338-W351 HydrophobicContact CD1-CG 4.19Å; L338-F429 HydrophobicContact CD1-CE1 3.95Å; L338-F429 HydrophobicContact CD1-CE2 4.31Å; L338-F429 HydrophobicContact CD1-CZ 3.8Å; L338-F429 HydrophobicContact CD2-CD1 4.46Å; L338-F429 HydrophobicContact CG-CE1 4.41Å; L338-F429 HydrophobicContact CG-CZ 4.42Å; L338-Y430 HydrophobicContact CD2-CE2 4.16Å
339	L	97.8	Very high	97.5	Very high	53 Å²	53	48.7 Å²	48.7	28%	0.277	25%	0.253	S	S	.	.	H	α-helix	trans	-89.2	-12.4	-175.7	-62.8	176.2	0	0	0	113.3	I335 H336 Y337 S341 L425 I426 F429	I335-L339 HydrophobicContact CG2-CD1 3.73Å; I335-L339 HydrophobicContact CG2-CG 4.34Å; I335-L339 WeakPolarHBondContact O-CG 3.47Å; I335-L339 PolarHBondContact O-N 3.26Å; H336-L339 PolarHBondContact O-N 2.78Å; Y337-L339 VanDerWaalsContact C-N 3.31Å; Y337-L339 PolarHBondContact O-N 2.72Å; L339-S341 PolarHBondContact O-N 3.29Å; L339-L425 HydrophobicContact CD1-CB 3.66Å; L339-L425 HydrophobicContact CD1-CD1 4.36Å; L339-L425 HydrophobicContact CD2-CB 4.25Å; L339-I426 HydrophobicContact CD1-CG1 4.23Å; L339-F429 HydrophobicContact CD2-CB 3.99Å; L339-F429 HydrophobicContact CD2-CD2 4.4Å; L339-F429 HydrophobicContact CD2-CG 4.41Å
340	D	97.8	Very high	97.5	Very high	30 Å²	30	49.6 Å²	49.6	16%	0.16	26%	0.257	C	S	.	.			trans	-72.7	124.5	179.1	-170	-10.9	0	0	0	111.8	K313 Y314 H336 Y337 H342 R343	K313-D340 WeakPolarHBondContact CE-OD2 3.42Å; K313-D340 IonicContact NZ-OD1 3.91Å; K313-D340 IonicContact NZ-OD2 3.17Å; K313-D340 PolarHBondContact NZ-OD2 2.63Å; Y314-D340 VanDerWaalsContact OH-CB 3.27Å; Y314-D340 WeakPolarHBondContact OH-CB 3.22Å; Y314-D340 PolarHBondContact OH-OD2 2.93Å; H336-D340 VanDerWaalsContact O-CB 3.28Å; H336-D340 WeakPolarHBondContact O-CB 3.37Å; H336-D340 PolarHBondContact O-N 2.81Å; Y337-D340 PolarHBondContact O-N 3.02Å; D340-H342 VanDerWaalsContact C-N 3.26Å; D340-H342 PolarHBondContact O-N 3.35Å; D340-H342 WeakPolarHBondContact OD1-CA 3.31Å; D340-H342 PolarHBondContact OD1-N 3.23Å; D340-R343 HydrophobicContact CB-CB 4.25Å; D340-R343 VanDerWaalsContact O-CZ 3.25Å; D340-R343 PolarHBondContact O-N 3.33Å; D340-R343 PolarHBondContact O-NE 3.14Å; D340-R343 PolarHBondContact O-NH2 3Å; D340-R343 PolarHBondContact OD1-N 2.77Å
341	S	95.4	Very high	97.5	Very high	100 Å²	100	41.6 Å²	41.6	70%	0.699	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.6	174.3	54.2	0	0	0	0	112.8	L339	L339-S341 PolarHBondContact O-N 3.29Å
342	H	96.6	Very high	97.5	Very high	147 Å²	147	42.7 Å²	42.7	68%	0.681	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.3	34.4	176.6	-54	90.3	0	0	0	111.1	K313 D340	K313-H342 PolarHBondContact NZ-O 2.92Å; D340-H342 VanDerWaalsContact C-N 3.26Å; D340-H342 PolarHBondContact O-N 3.35Å; D340-H342 WeakPolarHBondContact OD1-CA 3.31Å; D340-H342 PolarHBondContact OD1-N 3.23Å
343	R	97.3	Very high	97.5	Very high	51 Å²	51	40.9 Å²	40.9	19%	0.192	22%	0.224	C	C	.	.			trans	-46.6	138.4	175.3	59.4	-170.8	79.6	-155.3	-5.8	111.5	Y337 L338 D340 V345 M347	Y337-R343 HydrophobicContact CD2-CB 4.15Å; Y337-R343 HydrophobicContact CE2-CB 4Å; L338-R343 PolarHBondContact O-NH1 3.07Å; L338-R343 PolarHBondContact O-NH2 3.19Å; D340-R343 HydrophobicContact CB-CB 4.25Å; D340-R343 VanDerWaalsContact O-CZ 3.25Å; D340-R343 PolarHBondContact O-N 3.33Å; D340-R343 PolarHBondContact O-NE 3.14Å; D340-R343 PolarHBondContact O-NH2 3Å; D340-R343 PolarHBondContact OD1-N 2.77Å; R343-V345 VanDerWaalsContact CD-O 3.28Å; R343-V345 WeakPolarHBondContact CD-O 3.13Å; R343-V345 WeakPolarHBondContact CG-O 3.37Å; R343-V345 PolarHBondContact O-N 3.25Å; R343-M347 PolarHBondContact NH1-SD 3Å; R343-M347 VanDerWaalsContact NH1-SD 3.38Å
344	P	96	Very high	97.4	Very high	59 Å²	59	40.4 Å²	40.4	38%	0.383	22%	0.222	S	C	.	.	S	Bend	trans	-71.2	-17.8	-173.9	29.5	-37.1	0	0	0	113.6	A309 K313 Y314 Y337	A309-P344 HydrophobicContact CB-CB 4.06Å; A309-P344 HydrophobicContact CB-CG 3.97Å; K313-P344 HydrophobicContact CB-CG 4.49Å; K313-P344 HydrophobicContact CD-CB 4.35Å; K313-P344 HydrophobicContact CD-CG 4.06Å; Y314-P344 HydrophobicContact CE2-CG 4.39Å; Y314-P344 WeakPolarHBondContact OH-CD 3.45Å; Y337-P344 HydrophobicContact CD2-CG 4.06Å; Y337-P344 HydrophobicContact CE2-CG 4.2Å
345	V	96.8	Very high	97.2	Very high	30 Å²	30	40.8 Å²	40.8	18%	0.182	23%	0.225	C	C	.	.	S	Bend	trans	-131.6	147.2	175.2	-173.5	0	0	0	0	108.2	V305 F306 A309 Y337 R343	V305-V345 HydrophobicContact CG1-CG1 4.29Å; V305-V345 WeakPolarHBondContact O-CG2 3.34Å; F306-V345 HydrophobicContact CD1-CB 3.93Å; F306-V345 HydrophobicContact CD1-CG1 3.63Å; F306-V345 HydrophobicContact CE1-CB 4Å; F306-V345 HydrophobicContact CE1-CG1 3.31Å; F306-V345 HydrophobicContact CE2-CG1 4.3Å; F306-V345 HydrophobicContact CG-CG1 4.26Å; F306-V345 HydrophobicContact CZ-CG1 3.69Å; A309-V345 HydrophobicContact CB-CG2 3.51Å; Y337-V345 HydrophobicContact CE2-CB 3.95Å; Y337-V345 WeakPolarHBondContact CE2-O 3.48Å; Y337-V345 VanDerWaalsContact OH-C 3.23Å; Y337-V345 WeakPolarHBondContact OH-CB 3.3Å; Y337-V345 PolarHBondContact OH-O 2.95Å; R343-V345 VanDerWaalsContact CD-O 3.28Å; R343-V345 WeakPolarHBondContact CD-O 3.13Å; R343-V345 WeakPolarHBondContact CG-O 3.37Å; R343-V345 PolarHBondContact O-N 3.25Å
346	G	95.6	Very high	97	Very high	48 Å²	48	45.6 Å²	45.6	50%	0.495	25%	0.246	S	C	.	.			trans	-62.2	173.3	-177.5	0	0	0	0	0	114.6	Y337	Y337-G346 PolarHBondContact OH-O 3.34Å
347	M	96.3	Very high	96.9	Very high	69 Å²	69	42.9 Å²	42.9	34%	0.34	23%	0.233	S	C	.	.			trans	-64.1	138.7	174.3	-164.6	68.9	76.3	0	0	111	L338 R343 E352 F429	L338-M347 HydrophobicContact CD1-SD 4.19Å; R343-M347 PolarHBondContact NH1-SD 3Å; R343-M347 VanDerWaalsContact NH1-SD 3.38Å; M347-E352 HydrophobicContact CG-CB 4.03Å; M347-E352 HydrophobicContact CG-CG 4.44Å; M347-E352 WeakPolarHBondContact CG-OE2 3.37Å; M347-F429 HydrophobicContact CE-CE2 3.89Å; M347-F429 HydrophobicContact CE-CZ 3.54Å; M347-F429 HydrophobicContact SD-CZ 4.21Å
348	D	97.9	Very high	96.8	Very high	20 Å²	20	42.9 Å²	42.9	11%	0.107	23%	0.233	C	C	.	.			trans	-107.5	148.4	172.8	-173.5	-86.1	0	0	0	110.6	Y302 F306 H350 W351 E352	Y302-D348 PolarHBondContact OH-OD2 3.16Å; F306-D348 HydrophobicContact CE1-CB 4.21Å; F306-D348 HydrophobicContact CZ-CB 4.08Å; D348-H350 PolarHBondContact O-N 3.12Å; D348-H350 VanDerWaalsContact O-N 3.12Å; D348-H350 VanDerWaalsContact OD1-CB 3.32Å; D348-H350 WeakPolarHBondContact OD1-CB 3.29Å; D348-H350 IonicContact OD1-CE1 2.88Å; D348-H350 IonicContact OD1-CG 2.66Å; D348-H350 PolarHBondContact OD1-N 3.49Å; D348-H350 IonicContact OD1-ND1 2.8Å; D348-H350 PolarHBondContact OD1-ND1 2.87Å; D348-W351 HydrophobicContact CB-CD2 3.89Å; D348-W351 HydrophobicContact CB-CE3 4.11Å; D348-W351 HydrophobicContact CB-CH2 3.43Å; D348-W351 VanDerWaalsContact CB-CH2 3.43Å; D348-W351 HydrophobicContact CB-CZ2 3.17Å; D348-W351 HydrophobicContact CB-CZ3 3.89Å; D348-W351 PolarHBondContact O-N 2.84Å; D348-E352 PolarHBondContact O-N 2.97Å
349	I	97.2	Very high	96.6	Very high	68 Å²	68	44 Å²	44	35%	0.349	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.8	-179.2	63	169.8	0	0	0	113.5	P221 W351 L357	P221-I349 HydrophobicContact CG-CB 4.3Å; P221-I349 HydrophobicContact CG-CD1 4.14Å; P221-I349 HydrophobicContact CG-CG1 4.15Å; I349-W351 VanDerWaalsContact C-N 3.31Å; I349-W351 PolarHBondContact O-N 2.67Å; I349-L357 HydrophobicContact CB-CD2 4.19Å; I349-L357 HydrophobicContact CG2-CD2 4.33Å
350	H	98.1	Very high	96.4	Very high	26 Å²	26	41.7 Å²	41.7	12%	0.12	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-24.3	-176.7	-65.2	90.1	0	0	0	113.1	R286 A290 K294 Y302 D348	R286-H350 PolarHBondContact NH1-O 2.88Å; A290-H350 HydrophobicContact CB-CB 4.02Å; A290-H350 WeakPolarHBondContact CB-O 3.48Å; K294-H350 VanDerWaalsContact CE-CE1 3.43Å; K294-H350 WeakPolarHBondContact CE-CE1 3.39Å; K294-H350 WeakPolarHBondContact CE-NE2 3.41Å; K294-H350 PolarHBondContact NZ-NE2 3.4Å; Y302-H350 AromaticContact CZ-ND1 3.95Å; Y302-H350 PolarHBondContact OH-CE1 3.49Å; Y302-H350 PolarHBondContact OH-ND1 3.11Å; D348-H350 PolarHBondContact O-N 3.12Å; D348-H350 VanDerWaalsContact O-N 3.12Å; D348-H350 VanDerWaalsContact OD1-CB 3.32Å; D348-H350 WeakPolarHBondContact OD1-CB 3.29Å; D348-H350 IonicContact OD1-CE1 2.88Å; D348-H350 IonicContact OD1-CG 2.66Å; D348-H350 PolarHBondContact OD1-N 3.49Å; D348-H350 IonicContact OD1-ND1 2.8Å; D348-H350 PolarHBondContact OD1-ND1 2.87Å
351	W	98.1	Very high	96.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	7.1	176.6	53.7	80.6	0	0	0	113.5	L287 A290 K294 F295 Y302 F306 F334 Y337 L338 D348 I349 Y430	L287-W351 HydrophobicContact CD1-CB 4.09Å; A290-W351 HydrophobicContact CB-CE3 4.49Å; K294-W351 HydrophobicContact CG-CZ3 4.41Å; F295-W351 HydrophobicContact CE2-CZ3 4.36Å; Y302-W351 HydrophobicContact CD1-CH2 4.24Å; Y302-W351 HydrophobicContact CD1-CZ3 4.34Å; Y302-W351 HydrophobicContact CE1-CH2 4.05Å; Y302-W351 HydrophobicContact CE1-CZ3 4.03Å; F306-W351 AromaticContact CD1-CH2 3.73Å; F306-W351 HydrophobicContact CD1-CH2 3.73Å; F306-W351 AromaticContact CD1-CZ2 3.7Å; F306-W351 HydrophobicContact CD1-CZ2 3.7Å; F306-W351 AromaticContact CE1-CH2 3.76Å; F306-W351 HydrophobicContact CE1-CH2 3.76Å; F306-W351 AromaticContact CE1-CZ2 3.51Å; F306-W351 HydrophobicContact CE1-CZ2 3.51Å; F306-W351 HydrophobicContact CG-CH2 4.23Å; F306-W351 HydrophobicContact CZ-CH2 4.28Å; F306-W351 HydrophobicContact CZ-CZ2 4.31Å; F334-W351 AromaticContact CE2-CD2 3.88Å; F334-W351 HydrophobicContact CE2-CD2 3.88Å; F334-W351 AromaticContact CE2-CE3 3.88Å; F334-W351 HydrophobicContact CE2-CE3 3.88Å; F334-W351 HydrophobicContact CE2-CG 4.43Å; F334-W351 HydrophobicContact CE2-CH2 4.32Å; F334-W351 HydrophobicContact CE2-CZ2 4.29Å; F334-W351 HydrophobicContact CE2-CZ3 4.11Å; F334-W351 HydrophobicContact CZ-CB 4.21Å; F334-W351 AromaticContact CZ-CD2 3.8Å; F334-W351 HydrophobicContact CZ-CD2 3.8Å; F334-W351 AromaticContact CZ-CE3 3.76Å; F334-W351 HydrophobicContact CZ-CE3 3.76Å; F334-W351 HydrophobicContact CZ-CG 4.03Å; F334-W351 HydrophobicContact CZ-CZ3 4.38Å; Y337-W351 AromaticContact CE1-CZ2 3.77Å; Y337-W351 HydrophobicContact CE1-CZ2 3.77Å; Y337-W351 AromaticContact CE1-NE1 3.96Å; L338-W351 HydrophobicContact CD1-CB 4.38Å; L338-W351 HydrophobicContact CD1-CG 4.19Å; D348-W351 HydrophobicContact CB-CD2 3.89Å; D348-W351 HydrophobicContact CB-CE3 4.11Å; D348-W351 HydrophobicContact CB-CH2 3.43Å; D348-W351 VanDerWaalsContact CB-CH2 3.43Å; D348-W351 HydrophobicContact CB-CZ2 3.17Å; D348-W351 HydrophobicContact CB-CZ3 3.89Å; D348-W351 PolarHBondContact O-N 2.84Å; I349-W351 VanDerWaalsContact C-N 3.31Å; I349-W351 PolarHBondContact O-N 2.67Å; W351-Y430 WeakPolarHBondContact O-CE1 3.45Å; W351-Y430 PolarHBondContact O-OH 3.12Å
352	E	97.5	Very high	95.8	Very high	39 Å²	39	38.5 Å²	38.5	18%	0.182	20%	0.204	C	C	.	.	S	Bend	trans	-74.9	143.5	170.4	180	60	-81.9	0	0	112.4	R286 M347 D348 K356 L357	R286-E352 PolarHBondContact NH2-O 3.08Å; M347-E352 HydrophobicContact CG-CB 4.03Å; M347-E352 HydrophobicContact CG-CG 4.44Å; M347-E352 WeakPolarHBondContact CG-OE2 3.37Å; D348-E352 PolarHBondContact O-N 2.97Å; E352-K356 HydrophobicContact CG-CB 3.99Å; E352-L357 HydrophobicContact CB-CD2 4.05Å; E352-L357 HydrophobicContact CB-CG 4.23Å; E352-L357 HydrophobicContact CG-CD2 4.05Å; E352-L357 HydrophobicContact CG-CG 4.11Å; E352-L357 WeakPolarHBondContact O-CD1 3.43Å
353	K	97.3	Very high	95.6	Very high	40 Å²	40	31.7 Å²	31.7	17%	0.174	17%	0.172	C	C	.	.			trans	-54.6	140.1	179.1	-69.8	166.8	-88.2	-95	0	113.3	S355 K356 L357 F429 Y430 D433	K353-S355 VanDerWaalsContact C-N 3.26Å; K353-S355 WeakPolarHBondContact CB-OG 3.47Å; K353-S355 PolarHBondContact O-N 2.97Å; K353-K356 HydrophobicContact CB-CB 4.4Å; K353-K356 HydrophobicContact CB-CG 4.32Å; K353-K356 PolarHBondContact O-N 3.04Å; K353-L357 WeakPolarHBondContact O-CG 3.35Å; K353-L357 PolarHBondContact O-N 3.11Å; K353-F429 WeakPolarHBondContact CD-O 3.3Å; K353-F429 HydrophobicContact CG-CE1 4.31Å; K353-F429 PolarHBondContact NZ-O 3.14Å; K353-Y430 HydrophobicContact CG-CD1 3.86Å; K353-Y430 HydrophobicContact CG-CE1 4.2Å; K353-D433 WeakPolarHBondContact CA-OD2 3.26Å; K353-D433 WeakPolarHBondContact CB-OD2 3.47Å
354	V	97.4	Very high	95.2	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	17%	0.174	C	C	.	.	H	α-helix	trans	-59.2	-39.6	174.2	-178.3	0	0	0	0	111.3	V220 V280 K356 L357 C358 D433 F437	V220-V354 HydrophobicContact CG1-CG2 3.78Å; V220-V354 HydrophobicContact CG2-CG1 3.93Å; V220-V354 HydrophobicContact CG2-CG2 4.43Å; V280-V354 HydrophobicContact CG1-CG1 3.84Å; V354-K356 PolarHBondContact O-N 3.39Å; V354-K356 VanDerWaalsContact O-N 3.14Å; V354-L357 PolarHBondContact O-N 3.29Å; V354-L357 VanDerWaalsContact O-N 3.13Å; V354-C358 HydrophobicContact CG1-CB 4.49Å; V354-C358 PolarHBondContact O-N 3.44Å; V354-D433 PolarHBondContact N-OD1 3.4Å; V354-D433 PolarHBondContact N-OD2 3.47Å; V354-F437 HydrophobicContact CB-CE2 3.91Å; V354-F437 HydrophobicContact CG1-CE2 3.57Å; V354-F437 HydrophobicContact CG1-CZ 3.73Å
355	S	94.5	Very high	95.2	Very high	8 Å²	8	28.6 Å²	28.6	6%	0.056	16%	0.156	C	C	.	.	H	α-helix	trans	-57.3	-24.3	174.1	49.5	0	0	0	0	114	K353 D433	K353-S355 VanDerWaalsContact C-N 3.26Å; K353-S355 WeakPolarHBondContact CB-OG 3.47Å; K353-S355 PolarHBondContact O-N 2.97Å; S355-D433 WeakPolarHBondContact CB-OD1 3.48Å; S355-D433 PolarHBondContact N-OD1 3.35Å; S355-D433 PolarHBondContact OG-OD1 3.4Å
356	K	93.8	Very high	95.1	Very high	101 Å²	101	27.5 Å²	27.5	44%	0.439	15%	0.149	S	C	.	.	H	α-helix	trans	-97.4	-28.3	174.4	-67.7	-64.3	-173.3	179.2	0	113.5	E352 K353 V354 Y359	E352-K356 HydrophobicContact CG-CB 3.99Å; K353-K356 HydrophobicContact CB-CB 4.4Å; K353-K356 HydrophobicContact CB-CG 4.32Å; K353-K356 PolarHBondContact O-N 3.04Å; V354-K356 PolarHBondContact O-N 3.39Å; V354-K356 VanDerWaalsContact O-N 3.14Å; K356-Y359 WeakPolarHBondContact O-CE2 3.4Å; K356-Y359 VanDerWaalsContact O-CZ 3.23Å
357	L	96.1	Very high	95.2	Very high	9 Å²	9	25.2 Å²	25.2	5%	0.047	13%	0.125	C	C	.	.	H	α-helix	trans	-74.9	-43.9	178	-68.4	172.8	0	0	0	112.4	R206 I349 E352 K353 V354	R206-L357 WeakPolarHBondContact CD-O 3.42Å; I349-L357 HydrophobicContact CB-CD2 4.19Å; I349-L357 HydrophobicContact CG2-CD2 4.33Å; E352-L357 HydrophobicContact CB-CD2 4.05Å; E352-L357 HydrophobicContact CB-CG 4.23Å; E352-L357 HydrophobicContact CG-CD2 4.05Å; E352-L357 HydrophobicContact CG-CG 4.11Å; E352-L357 WeakPolarHBondContact O-CD1 3.43Å; K353-L357 WeakPolarHBondContact O-CG 3.35Å; K353-L357 PolarHBondContact O-N 3.11Å; V354-L357 PolarHBondContact O-N 3.29Å; V354-L357 VanDerWaalsContact O-N 3.13Å
358	C	96.6	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-4.3	-167.7	-72.5	0	0	0	0	114.2	C218 V220 V278 V354 Y365	C218-C358 HydrophobicContact CB-CB 3.93Å; C218-C358 WeakPolarHBondContact CB-SG 3.48Å; C218-C358 WeakPolarHBondContact SG-CA 3.38Å; C218-C358 WeakPolarHBondContact SG-CB 3.38Å; C218-C358 CovalentContact SG-SG 2.03Å; C218-C358 PolarHBondContact SG-SG 2.84Å; V220-C358 VanDerWaalsContact CG2-SG 3.56Å; V278-C358 HydrophobicContact CG2-CB 4.35Å; V354-C358 HydrophobicContact CG1-CB 4.49Å; V354-C358 PolarHBondContact O-N 3.44Å; C358-Y365 HydrophobicContact CB-CE2 4.27Å; C358-Y365 WeakPolarHBondContact CB-OH 3.44Å; C358-Y365 VanDerWaalsContact O-CE2 3.26Å; C358-Y365 WeakPolarHBondContact O-CE2 3.28Å; C358-Y365 PolarHBondContact O-OH 3.4Å
359	Y	94.2	Very high	95.3	Very high	23 Å²	23	21.1 Å²	21.1	9%	0.09	11%	0.105	C	C	.	.			trans	42.2	57.3	178.9	-59.6	-88.1	0	0	0	115.3	H202 T203 K356 C361 L362 I363	H202-Y359 PolarHBondContact CE1-OH 3.24Å; H202-Y359 AromaticContact ND1-CZ 3.9Å; H202-Y359 PolarHBondContact ND1-OH 3.35Å; T203-Y359 HydrophobicContact CG2-CD2 3.82Å; T203-Y359 HydrophobicContact CG2-CE2 4.46Å; T203-Y359 HydrophobicContact CG2-CG 3.9Å; K356-Y359 WeakPolarHBondContact O-CE2 3.4Å; K356-Y359 VanDerWaalsContact O-CZ 3.23Å; Y359-C361 PolarHBondContact O-N 2.9Å; Y359-L362 HydrophobicContact CD1-CD1 3.8Å; Y359-L362 HydrophobicContact CG-CD1 4.22Å; Y359-L362 PolarHBondContact O-N 3.36Å; Y359-I363 PolarHBondContact O-N 3.15Å
360	P	93.6	Very high	95.3	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.032	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.8	-171.9	-23.9	37.1	0	0	0	116.3	L183 I363 Y365 M436 F437	L183-P360 HydrophobicContact CD1-CB 3.98Å; L183-P360 HydrophobicContact CD2-CB 4.13Å; P360-I363 CarbonylContact C-O 3.57Å; P360-Y365 HydrophobicContact CB-CD2 4.01Å; P360-Y365 HydrophobicContact CB-CE2 4.15Å; P360-Y365 HydrophobicContact CG-CD2 4.47Å; P360-Y365 HydrophobicContact CG-CE2 4.24Å; P360-M436 HydrophobicContact CB-SD 3.81Å; P360-M436 HydrophobicContact CG-SD 3.58Å; P360-M436 VanDerWaalsContact CG-SD 3.58Å; P360-F437 HydrophobicContact CB-CZ 4.46Å; P360-F437 HydrophobicContact CG-CZ 3.8Å
361	C	91.4	Very high	95.3	Very high	38 Å²	38	19.9 Å²	19.9	26%	0.257	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-11.1	173.1	-58.2	0	0	0	0	114.2	C187 Y359	C187-C361 WeakPolarHBondContact CA-SG 3.28Å; C187-C361 HydrophobicContact CB-CB 3.63Å; C187-C361 WeakPolarHBondContact CB-SG 3.39Å; C187-C361 WeakPolarHBondContact SG-CA 3.39Å; C187-C361 WeakPolarHBondContact SG-CB 3.36Å; C187-C361 CovalentContact SG-SG 2.05Å; C187-C361 PolarHBondContact SG-SG 3.41Å; Y359-C361 PolarHBondContact O-N 2.9Å
362	L	90.1	Very high	95.2	Very high	25 Å²	25	23.7 Å²	23.7	13%	0.131	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-24.6	169.3	-57.4	179.6	0	0	0	111.7	W152 T203 Y359	W152-L362 VanDerWaalsContact CD1-O 3.27Å; T203-L362 HydrophobicContact CG2-CB 4.4Å; T203-L362 HydrophobicContact CG2-CD1 4.18Å; Y359-L362 HydrophobicContact CD1-CD1 3.8Å; Y359-L362 HydrophobicContact CG-CD1 4.22Å; Y359-L362 PolarHBondContact O-N 3.36Å
363	I	91.6	Very high	95.1	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	12%	0.123	C	C	.	.	S	Bend	trans	-119.5	109.3	-179.9	-53.8	-176	0	0	0	107.8	T203 V204 I207 L271 K276 Y359 P360 Y365	T203-I363 HydrophobicContact CG2-CD1 4.06Å; T203-I363 HydrophobicContact CG2-CG1 4.27Å; V204-I363 HydrophobicContact CG1-CD1 4.36Å; I207-I363 HydrophobicContact CD1-CD1 3.42Å; I207-I363 VanDerWaalsContact CD1-CD1 3.42Å; I207-I363 HydrophobicContact CD1-CG2 4.4Å; L271-I363 HydrophobicContact CD2-CG2 4.38Å; K276-I363 HydrophobicContact CD-CG2 4.03Å; Y359-I363 PolarHBondContact O-N 3.15Å; P360-I363 CarbonylContact C-O 3.57Å; I363-Y365 HydrophobicContact CB-CD2 4.47Å; I363-Y365 HydrophobicContact CB-CE2 3.88Å; I363-Y365 HydrophobicContact CG2-CD2 4.41Å; I363-Y365 HydrophobicContact CG2-CE1 4.3Å; I363-Y365 HydrophobicContact CG2-CE2 3.96Å; I363-Y365 WeakPolarHBondContact O-CD2 3.29Å; I363-Y365 WeakPolarHBondContact O-CE2 3.43Å; I363-Y365 PolarHBondContact O-N 2.88Å
364	N	89.9	Confident	95.1	Very high	42 Å²	42	23.6 Å²	23.6	23%	0.225	12%	0.12	C	C	.	.			trans	-70.6	96.9	178.7	-168.3	16.7	0	0	0	109.6	Q184 K276	Q184-N364 PolarHBondContact NE2-OD1 3.49Å; K276-N364 WeakPolarHBondContact CD-O 3.44Å; K276-N364 WeakPolarHBondContact CE-O 3.29Å
365	Y	95.3	Very high	95	Very high	3 Å²	3	29 Å²	29	1%	0.012	14%	0.144	C	C	.	.			trans	-75.1	128.7	177.8	-72.2	-83.1	0	0	0	110.6	C218 K276 V278 C358 P360 I363	C218-Y365 HydrophobicContact CB-CE1 3.7Å; C218-Y365 WeakPolarHBondContact CB-OH 3.38Å; C218-Y365 PolarHBondContact SG-OH 2.71Å; K276-Y365 HydrophobicContact CB-CD1 4.01Å; V278-Y365 HydrophobicContact CB-CD1 3.69Å; V278-Y365 HydrophobicContact CB-CD2 4.49Å; V278-Y365 HydrophobicContact CB-CE1 3.78Å; V278-Y365 HydrophobicContact CB-CG 4.09Å; V278-Y365 HydrophobicContact CG1-CD1 3.83Å; V278-Y365 HydrophobicContact CG1-CD2 4.1Å; V278-Y365 HydrophobicContact CG1-CE1 4.34Å; V278-Y365 HydrophobicContact CG1-CG 3.71Å; C358-Y365 HydrophobicContact CB-CE2 4.27Å; C358-Y365 WeakPolarHBondContact CB-OH 3.44Å; C358-Y365 VanDerWaalsContact O-CE2 3.26Å; C358-Y365 WeakPolarHBondContact O-CE2 3.28Å; C358-Y365 PolarHBondContact O-OH 3.4Å; P360-Y365 HydrophobicContact CB-CD2 4.01Å; P360-Y365 HydrophobicContact CB-CE2 4.15Å; P360-Y365 HydrophobicContact CG-CD2 4.47Å; P360-Y365 HydrophobicContact CG-CE2 4.24Å; I363-Y365 HydrophobicContact CB-CD2 4.47Å; I363-Y365 HydrophobicContact CB-CE2 3.88Å; I363-Y365 HydrophobicContact CG2-CD2 4.41Å; I363-Y365 HydrophobicContact CG2-CE1 4.3Å; I363-Y365 HydrophobicContact CG2-CE2 3.96Å; I363-Y365 WeakPolarHBondContact O-CD2 3.29Å; I363-Y365 WeakPolarHBondContact O-CE2 3.43Å; I363-Y365 PolarHBondContact O-N 2.88Å
366	D	94.6	Very high	95.1	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.032	16%	0.16	C	C	.	.	S	Bend	trans	-81.1	-25.5	179.2	-52.2	-63.4	0	0	0	111.3	L159 R180 T275 K276	L159-D366 WeakPolarHBondContact CD1-O 2.82Å; L159-D366 HydrophobicContact CD2-CB 3.6Å; L159-D366 HydrophobicContact CG-CB 4.43Å; R180-D366 WeakPolarHBondContact CD-O 3.48Å; T275-D366 HydrophobicContact CG2-CB 4.15Å; K276-D366 VanDerWaalsContact CE-OD2 3.31Å; K276-D366 WeakPolarHBondContact CE-OD2 3.48Å; K276-D366 PolarHBondContact N-OD2 3.25Å; K276-D366 IonicContact NZ-OD2 2.74Å; K276-D366 PolarHBondContact NZ-OD2 2.9Å; K276-D366 VanDerWaalsContact NZ-OD2 3.14Å; K276-D366 PolarHBondContact O-N 3.29Å
367	F	97.1	Very high	95.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133	-178.6	-167.3	-86.5	0	0	0	112.7	Q176 K276 A277 V278 F279 D377 Y380 F381 M384	Q176-F367 HydrophobicContact CB-CE2 4.38Å; Q176-F367 HydrophobicContact CG-CD2 4.34Å; Q176-F367 HydrophobicContact CG-CE2 3.62Å; Q176-F367 HydrophobicContact CG-CZ 3.86Å; K276-F367 PolarHBondContact O-N 3Å; A277-F367 WeakPolarHBondContact CA-O 3.48Å; A277-F367 HydrophobicContact CB-CB 4.09Å; V278-F367 PolarHBondContact N-O 3.28Å; F279-F367 HydrophobicContact CE1-CE1 4.05Å; F279-F367 HydrophobicContact CE2-CD1 4.07Å; F279-F367 HydrophobicContact CE2-CE1 4.13Å; F279-F367 AromaticContact CZ-CD1 3.88Å; F279-F367 HydrophobicContact CZ-CD1 3.88Å; F279-F367 AromaticContact CZ-CE1 3.46Å; F279-F367 HydrophobicContact CZ-CE1 3.46Å; F279-F367 VanDerWaalsContact CZ-CE1 3.46Å; F367-D377 HydrophobicContact CE1-CB 4.34Å; F367-D377 HydrophobicContact CZ-CB 4.29Å; F367-D377 VanDerWaalsContact CZ-O 3.3Å; F367-D377 WeakPolarHBondContact CZ-O 3.24Å; F367-Y380 AromaticContact CE2-CD1 3.59Å; F367-Y380 HydrophobicContact CE2-CD1 3.59Å; F367-Y380 AromaticContact CE2-CE1 3.75Å; F367-Y380 HydrophobicContact CE2-CE1 3.75Å; F367-Y380 HydrophobicContact CZ-CD1 4.02Å; F367-F381 HydrophobicContact CB-CD2 3.9Å; F367-F381 HydrophobicContact CB-CE2 3.9Å; F367-F381 HydrophobicContact CD1-CB 4.41Å; F367-F381 AromaticContact CD1-CD2 3.79Å; F367-F381 HydrophobicContact CD1-CD2 3.79Å; F367-F381 HydrophobicContact CD1-CE2 4.46Å; F367-F381 HydrophobicContact CD1-CG 4.32Å; F367-F381 HydrophobicContact CD2-CB 4.49Å; F367-F381 AromaticContact CD2-CD2 3.62Å; F367-F381 HydrophobicContact CD2-CD2 3.62Å; F367-F381 HydrophobicContact CD2-CE2 4.39Å; F367-F381 HydrophobicContact CE1-CB 3.99Å; F367-F381 HydrophobicContact CE1-CD2 4.21Å; F367-F381 HydrophobicContact CE1-CG 4.38Å; F367-F381 HydrophobicContact CE2-CB 4.02Å; F367-F381 HydrophobicContact CE2-CD2 4.01Å; F367-F381 AromaticContact CG-CD2 3.48Å; F367-F381 HydrophobicContact CG-CD2 3.48Å; F367-F381 VanDerWaalsContact CG-CD2 3.48Å; F367-F381 HydrophobicContact CG-CE2 4.01Å; F367-F381 HydrophobicContact CG-CG 4.4Å; F367-F381 HydrophobicContact CZ-CB 3.77Å; F367-F381 HydrophobicContact CZ-CD2 4.31Å; F367-F381 HydrophobicContact CZ-CG 4.47Å; F367-M384 HydrophobicContact CD2-CE 4.05Å
368	V	97.9	Very high	95.4	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.024	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	92.5	179.9	-174.5	0	0	0	0	110	Q176 R179 L183 V278 V280 F437	Q176-V368 PolarHBondContact NE2-O 3.35Å; Q176-V368 VanDerWaalsContact NE2-O 3.13Å; Q176-V368 PolarHBondContact OE1-O 3.36Å; R179-V368 HydrophobicContact CB-CB 4.2Å; R179-V368 VanDerWaalsContact CD-O 3.26Å; R179-V368 WeakPolarHBondContact CD-O 3.45Å; R179-V368 PolarHBondContact NH1-O 2.88Å; L183-V368 HydrophobicContact CD2-CG2 3.81Å; V278-V368 HydrophobicContact CG1-CG1 4.46Å; V278-V368 HydrophobicContact CG1-CG2 4.22Å; V278-V368 WeakPolarHBondContact O-CA 3.47Å; V280-V368 HydrophobicContact CG2-CG1 4.38Å; V368-F437 HydrophobicContact CG1-CD1 3.89Å; V368-F437 HydrophobicContact CG1-CE1 4.06Å
369	G	98.1	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	149.5	173.2	0	0	0	0	0	112.1	V278 F279 V280	V278-G369 PolarHBondContact O-N 2.67Å; F279-G369 CarbonylContact C-O 3.54Å; F279-G369 WeakPolarHBondContact CA-O 3.29Å; V280-G369 PolarHBondContact N-O 3.45Å
370	K	98.2	Very high	95.5	Very high	27 Å²	27	27.3 Å²	27.3	12%	0.117	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.1	175.4	-79.6	-160.6	176.1	-162.2	0	110	V280 E372 T373 L374 D377 F437 N438 Y439	V280-K370 HydrophobicContact CG2-CG 4.1Å; V280-K370 CarbonylContact O-C 3.56Å; V280-K370 WeakPolarHBondContact O-CA 3.35Å; K370-E372 WeakPolarHBondContact CB-OE2 3.37Å; K370-E372 PolarHBondContact O-N 3.35Å; K370-T373 CarbonylContact O-C 3.48Å; K370-T373 VanDerWaalsContact O-C 3.24Å; K370-T373 PolarHBondContact O-N 3.48Å; K370-L374 VanDerWaalsContact O-CA 3.3Å; K370-L374 WeakPolarHBondContact O-CA 3.26Å; K370-L374 PolarHBondContact O-N 3.1Å; K370-D377 PolarHBondContact N-OD2 2.9Å; K370-F437 VanDerWaalsContact CE-O 3.28Å; K370-F437 WeakPolarHBondContact CE-O 3.43Å; K370-F437 PolarHBondContact NZ-O 2.74Å; K370-N438 PolarHBondContact NZ-O 3.39Å; K370-Y439 HydrophobicContact CD-CE1 3.94Å
371	F	97.4	Very high	95.7	Very high	40 Å²	40	27.2 Å²	27.2	18%	0.175	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-62.3	-31.5	-179.4	-170.5	-92.8	0	0	0	111.6	V280 R281 T373 L374	V280-F371 WeakPolarHBondContact O-CB 3.46Å; V280-F371 PolarHBondContact O-N 3.22Å; R281-F371 HydrophobicContact CB-CB 3.69Å; R281-F371 HydrophobicContact CB-CG 4.39Å; R281-F371 HydrophobicContact CG-CB 3.71Å; R281-F371 HydrophobicContact CG-CD1 4.26Å; R281-F371 HydrophobicContact CG-CG 4.1Å; F371-T373 PolarHBondContact O-N 3.06Å; F371-L374 HydrophobicContact CD2-CD2 3.65Å; F371-L374 HydrophobicContact CE2-CD2 3.62Å; F371-L374 HydrophobicContact CZ-CD2 4.5Å; F371-L374 VanDerWaalsContact O-CB 3.29Å; F371-L374 WeakPolarHBondContact O-CB 3.32Å; F371-L374 PolarHBondContact O-N 3.33Å
372	E	96	Very high	95.9	Very high	80 Å²	80	25.6 Å²	25.6	37%	0.374	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-64.6	-24.8	177.8	-57.1	74.2	-147.6	0	0	112.2	D282 K370 Y439	D282-E372 PolarHBondContact N-OE1 3.34Å; K370-E372 WeakPolarHBondContact CB-OE2 3.37Å; K370-E372 PolarHBondContact O-N 3.35Å; E372-Y439 WeakPolarHBondContact OE2-CE1 3.39Å; E372-Y439 PolarHBondContact OE2-OH 3.46Å
373	T	96.6	Very high	96.1	Very high	57 Å²	57	27 Å²	27	35%	0.35	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-121.9	28	176.4	51.2	0	0	0	0	111.6	R179 K370 F371 E375 E376 D377	R179-T373 PolarHBondContact NH2-OG1 2.65Å; K370-T373 CarbonylContact O-C 3.48Å; K370-T373 VanDerWaalsContact O-C 3.24Å; K370-T373 PolarHBondContact O-N 3.48Å; F371-T373 PolarHBondContact O-N 3.06Å; T373-E375 PolarHBondContact O-N 3.22Å; T373-E376 PolarHBondContact O-N 3.47Å; T373-D377 WeakPolarHBondContact O-CB 3.13Å; T373-D377 PolarHBondContact O-N 3.41Å; T373-D377 PolarHBondContact OG1-OD2 3.22Å
374	L	96.3	Very high	96.2	Very high	21 Å²	21	27.2 Å²	27.2	11%	0.11	13%	0.133	C	C	.	.	H	α-helix	trans	-57.5	-46.8	-164.1	-176.8	59	0	0	0	113.6	F279 K370 F371 A378 F393	F279-L374 HydrophobicContact CD1-CD1 3.53Å; F279-L374 HydrophobicContact CE1-CD1 4.03Å; F279-L374 HydrophobicContact CG-CD1 4.44Å; K370-L374 VanDerWaalsContact O-CA 3.3Å; K370-L374 WeakPolarHBondContact O-CA 3.26Å; K370-L374 PolarHBondContact O-N 3.1Å; F371-L374 HydrophobicContact CD2-CD2 3.65Å; F371-L374 HydrophobicContact CE2-CD2 3.62Å; F371-L374 HydrophobicContact CZ-CD2 4.5Å; F371-L374 VanDerWaalsContact O-CB 3.29Å; F371-L374 WeakPolarHBondContact O-CB 3.32Å; F371-L374 PolarHBondContact O-N 3.33Å; L374-A378 WeakPolarHBondContact O-CB 3.26Å; L374-A378 PolarHBondContact O-N 3.21Å; L374-F393 HydrophobicContact CD1-CE1 4.24Å; L374-F393 HydrophobicContact CD1-CZ 4.05Å; L374-F393 HydrophobicContact CD2-CD1 4.36Å; L374-F393 HydrophobicContact CD2-CE1 3.38Å; L374-F393 HydrophobicContact CD2-CZ 3.66Å; L374-F393 HydrophobicContact CG-CD1 4.15Å; L374-F393 HydrophobicContact CG-CE1 3.57Å; L374-F393 HydrophobicContact CG-CZ 3.89Å
375	E	95.7	Very high	96.4	Very high	115 Å²	115	26.2 Å²	26.2	54%	0.537	13%	0.128	S	C	.	.	H	α-helix	trans	-63.3	-47.2	-176.4	-176.9	173.4	177.9	0	0	111.4	T373 N379	T373-E375 PolarHBondContact O-N 3.22Å; E375-N379 WeakPolarHBondContact CG-ND2 3.21Å; E375-N379 VanDerWaalsContact O-CB 3.31Å; E375-N379 WeakPolarHBondContact O-CB 3.29Å; E375-N379 VanDerWaalsContact O-CG 3.31Å; E375-N379 PolarHBondContact O-N 3.1Å; E375-N379 PolarHBondContact O-ND2 3.48Å
376	E	96.9	Very high	96.3	Very high	84 Å²	84	27.8 Å²	27.8	39%	0.393	14%	0.144	S	C	.	.	H	α-helix	trans	-63.6	-51.6	178	-176.9	64.2	-158.5	0	0	111	W169 T172 T373 A378 N379 Y380	W169-E376 VanDerWaalsContact CE3-OE1 3.28Å; W169-E376 HydrophobicContact CZ3-CG 4.5Å; W169-E376 WeakPolarHBondContact CZ3-OE1 3.36Å; T172-E376 HydrophobicContact CG2-CG 4.08Å; T172-E376 WeakPolarHBondContact OG1-CG 3.46Å; T172-E376 PolarHBondContact OG1-OE1 3.24Å; T373-E376 PolarHBondContact O-N 3.47Å; E376-A378 PolarHBondContact O-N 2.99Å; E376-N379 PolarHBondContact O-N 2.93Å; E376-Y380 VanDerWaalsContact O-CB 3.31Å; E376-Y380 WeakPolarHBondContact O-CB 3.47Å; E376-Y380 PolarHBondContact O-N 2.88Å
377	D	97.8	Very high	96.4	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-61.2	-43.4	-179.9	-74.9	-26	0	0	0	111.8	Q176 R179 F279 F367 K370 T373 F381	Q176-D377 VanDerWaalsContact NE2-CG 3.33Å; Q176-D377 PolarHBondContact NE2-OD1 2.92Å; R179-D377 IonicContact CZ-OD2 2.8Å; R179-D377 IonicContact NH1-OD1 3.83Å; R179-D377 PolarHBondContact NH1-OD1 3.45Å; R179-D377 IonicContact NH1-OD2 3.2Å; R179-D377 PolarHBondContact NH1-OD2 2.95Å; R179-D377 IonicContact NH2-OD2 3.48Å; F279-D377 HydrophobicContact CE1-CB 4.01Å; F367-D377 HydrophobicContact CE1-CB 4.34Å; F367-D377 HydrophobicContact CZ-CB 4.29Å; F367-D377 VanDerWaalsContact CZ-O 3.3Å; F367-D377 WeakPolarHBondContact CZ-O 3.24Å; K370-D377 PolarHBondContact N-OD2 2.9Å; T373-D377 WeakPolarHBondContact O-CB 3.13Å; T373-D377 PolarHBondContact O-N 3.41Å; T373-D377 PolarHBondContact OG1-OD2 3.22Å; D377-F381 WeakPolarHBondContact O-CB 3.43Å; D377-F381 PolarHBondContact O-N 3.47Å
378	A	97.8	Very high	96.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.5	-44.4	-178	0	0	0	0	0	111.8	W228 F279 L374 E376 F381 L382 F393	W228-A378 HydrophobicContact CH2-CB 3.86Å; W228-A378 HydrophobicContact CZ2-CB 3.38Å; F279-A378 HydrophobicContact CE1-CB 4.32Å; L374-A378 WeakPolarHBondContact O-CB 3.26Å; L374-A378 PolarHBondContact O-N 3.21Å; E376-A378 PolarHBondContact O-N 2.99Å; A378-F381 WeakPolarHBondContact O-CB 3.42Å; A378-F381 PolarHBondContact O-N 3.27Å; A378-L382 WeakPolarHBondContact O-CB 3.44Å; A378-L382 VanDerWaalsContact O-CG 3.28Å; A378-L382 WeakPolarHBondContact O-CG 3.18Å; A378-L382 PolarHBondContact O-N 3.42Å; A378-F393 HydrophobicContact CB-CB 3.51Å; A378-F393 HydrophobicContact CB-CD1 4.22Å; A378-F393 HydrophobicContact CB-CD2 3.47Å; A378-F393 VanDerWaalsContact CB-CD2 3.47Å; A378-F393 HydrophobicContact CB-CE2 4.24Å; A378-F393 HydrophobicContact CB-CG 3.44Å; A378-F393 VanDerWaalsContact CB-CG 3.44Å
379	N	97	Very high	95.9	Very high	19 Å²	19	38.4 Å²	38.4	10%	0.102	20%	0.199	C	C	.	.	H	α-helix	trans	-69.8	-33.9	179.3	-72.6	-49.4	0	0	0	112	W169 E375 E376 Q383 K392 F393	W169-N379 HydrophobicContact CH2-CB 3.74Å; W169-N379 HydrophobicContact CZ2-CB 4.41Å; E375-N379 WeakPolarHBondContact CG-ND2 3.21Å; E375-N379 VanDerWaalsContact O-CB 3.31Å; E375-N379 WeakPolarHBondContact O-CB 3.29Å; E375-N379 VanDerWaalsContact O-CG 3.31Å; E375-N379 PolarHBondContact O-N 3.1Å; E375-N379 PolarHBondContact O-ND2 3.48Å; E376-N379 PolarHBondContact O-N 2.93Å; N379-Q383 PolarHBondContact O-N 3.4Å; N379-K392 WeakPolarHBondContact OD1-CA 3.37Å; N379-K392 WeakPolarHBondContact OD1-CD 3.44Å; N379-F393 PolarHBondContact OD1-N 2.97Å
380	Y	96.6	Very high	95.6	Very high	1 Å²	1	46 Å²	46	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-46.5	169.4	173.8	-112	0	0	0	111.4	V164 W169 T172 D173 Q176 F367 E376 L382 Q383 M384	V164-Y380 HydrophobicContact CG1-CD2 4.42Å; V164-Y380 HydrophobicContact CG1-CE2 3.81Å; V164-Y380 HydrophobicContact CG2-CE2 3.98Å; W169-Y380 HydrophobicContact CB-CD2 3.68Å; W169-Y380 HydrophobicContact CB-CE2 3.86Å; W169-Y380 AromaticContact CD2-CD2 3.72Å; W169-Y380 HydrophobicContact CD2-CD2 3.72Å; W169-Y380 HydrophobicContact CD2-CG 4.41Å; W169-Y380 AromaticContact CE3-CD2 3.8Å; W169-Y380 HydrophobicContact CE3-CD2 3.8Å; W169-Y380 HydrophobicContact CE3-CG 4.09Å; W169-Y380 AromaticContact CG-CD2 3.7Å; W169-Y380 HydrophobicContact CG-CD2 3.7Å; W169-Y380 HydrophobicContact CG-CE2 4.3Å; T172-Y380 HydrophobicContact CG2-CD1 3.72Å; T172-Y380 HydrophobicContact CG2-CD2 4.39Å; T172-Y380 HydrophobicContact CG2-CG 3.66Å; D173-Y380 HydrophobicContact CB-CE2 4.29Å; D173-Y380 PolarHBondContact OD1-OH 3.39Å; Q176-Y380 HydrophobicContact CB-CE1 4.29Å; Q176-Y380 HydrophobicContact CG-CD1 4.09Å; Q176-Y380 HydrophobicContact CG-CE1 3.94Å; F367-Y380 AromaticContact CE2-CD1 3.59Å; F367-Y380 HydrophobicContact CE2-CD1 3.59Å; F367-Y380 AromaticContact CE2-CE1 3.75Å; F367-Y380 HydrophobicContact CE2-CE1 3.75Å; F367-Y380 HydrophobicContact CZ-CD1 4.02Å; E376-Y380 VanDerWaalsContact O-CB 3.31Å; E376-Y380 WeakPolarHBondContact O-CB 3.47Å; E376-Y380 PolarHBondContact O-N 2.88Å; Y380-L382 PolarHBondContact O-N 2.97Å; Y380-Q383 WeakPolarHBondContact O-CB 3.39Å; Y380-Q383 PolarHBondContact O-N 3.37Å; Y380-M384 WeakPolarHBondContact O-CB 3.23Å; Y380-M384 PolarHBondContact O-N 3.23Å
381	F	96.9	Very high	95.5	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.013	23%	0.234	C	C	.	.	H	α-helix	trans	-57.8	-47	176	-178	-103.4	0	0	0	111.7	I215 W228 T275 A277 F279 F367 D377 A378 Q383 M384 I385	I215-F381 HydrophobicContact CD1-CE1 4.49Å; I215-F381 HydrophobicContact CG2-CE1 4.26Å; I215-F381 HydrophobicContact CG2-CZ 4.03Å; W228-F381 HydrophobicContact CH2-CB 4.46Å; W228-F381 AromaticContact CH2-CD1 3.69Å; W228-F381 HydrophobicContact CH2-CD1 3.69Å; W228-F381 HydrophobicContact CH2-CE1 4.43Å; W228-F381 HydrophobicContact CH2-CG 4.41Å; W228-F381 AromaticContact CZ3-CD1 3.91Å; W228-F381 HydrophobicContact CZ3-CD1 3.91Å; W228-F381 HydrophobicContact CZ3-CE1 4.25Å; T275-F381 HydrophobicContact CG2-CE2 3.91Å; T275-F381 HydrophobicContact CG2-CZ 4.34Å; A277-F381 HydrophobicContact CB-CD2 4.43Å; A277-F381 HydrophobicContact CB-CE1 4.27Å; A277-F381 HydrophobicContact CB-CE2 3.69Å; A277-F381 HydrophobicContact CB-CZ 3.59Å; F279-F381 HydrophobicContact CZ-CB 4.42Å; F367-F381 HydrophobicContact CB-CD2 3.9Å; F367-F381 HydrophobicContact CB-CE2 3.9Å; F367-F381 HydrophobicContact CD1-CB 4.41Å; F367-F381 AromaticContact CD1-CD2 3.79Å; F367-F381 HydrophobicContact CD1-CD2 3.79Å; F367-F381 HydrophobicContact CD1-CE2 4.46Å; F367-F381 HydrophobicContact CD1-CG 4.32Å; F367-F381 HydrophobicContact CD2-CB 4.49Å; F367-F381 AromaticContact CD2-CD2 3.62Å; F367-F381 HydrophobicContact CD2-CD2 3.62Å; F367-F381 HydrophobicContact CD2-CE2 4.39Å; F367-F381 HydrophobicContact CE1-CB 3.99Å; F367-F381 HydrophobicContact CE1-CD2 4.21Å; F367-F381 HydrophobicContact CE1-CG 4.38Å; F367-F381 HydrophobicContact CE2-CB 4.02Å; F367-F381 HydrophobicContact CE2-CD2 4.01Å; F367-F381 AromaticContact CG-CD2 3.48Å; F367-F381 HydrophobicContact CG-CD2 3.48Å; F367-F381 VanDerWaalsContact CG-CD2 3.48Å; F367-F381 HydrophobicContact CG-CE2 4.01Å; F367-F381 HydrophobicContact CG-CG 4.4Å; F367-F381 HydrophobicContact CZ-CB 3.77Å; F367-F381 HydrophobicContact CZ-CD2 4.31Å; F367-F381 HydrophobicContact CZ-CG 4.47Å; D377-F381 WeakPolarHBondContact O-CB 3.43Å; D377-F381 PolarHBondContact O-N 3.47Å; A378-F381 WeakPolarHBondContact O-CB 3.42Å; A378-F381 PolarHBondContact O-N 3.27Å; F381-Q383 VanDerWaalsContact C-N 3.33Å; F381-Q383 PolarHBondContact O-N 2.99Å; F381-M384 HydrophobicContact CD2-CE 3.41Å; F381-M384 VanDerWaalsContact CD2-CE 3.41Å; F381-M384 HydrophobicContact CE2-CE 3.54Å; F381-M384 HydrophobicContact CG-CE 4.46Å; F381-M384 WeakPolarHBondContact O-CB 3.38Å; F381-M384 PolarHBondContact O-N 2.63Å; F381-M384 VanDerWaalsContact O-N 3.14Å; F381-I385 HydrophobicContact CD1-CG2 4.41Å; F381-I385 HydrophobicContact CD2-CG2 4.39Å; F381-I385 HydrophobicContact CE1-CD1 4.24Å; F381-I385 HydrophobicContact CE1-CG2 3.94Å; F381-I385 HydrophobicContact CE2-CG2 3.92Å; F381-I385 HydrophobicContact CZ-CG2 3.67Å; F381-I385 WeakPolarHBondContact O-CG1 3.19Å; F381-I385 PolarHBondContact O-N 2.95Å
382	L	96.5	Very high	95.4	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-57.3	-43.3	176.5	-73.8	174.6	0	0	0	112.1	I231 L235 A378 Y380 I385 G386 A387 L391	I231-L382 HydrophobicContact CD1-CD1 4.35Å; I231-L382 HydrophobicContact CG2-CD2 3.78Å; L235-L382 HydrophobicContact CD1-CD2 4.39Å; A378-L382 WeakPolarHBondContact O-CB 3.44Å; A378-L382 VanDerWaalsContact O-CG 3.28Å; A378-L382 WeakPolarHBondContact O-CG 3.18Å; A378-L382 PolarHBondContact O-N 3.42Å; Y380-L382 PolarHBondContact O-N 2.97Å; L382-I385 HydrophobicContact CD2-CD1 4.22Å; L382-I385 VanDerWaalsContact O-CG1 3.24Å; L382-I385 WeakPolarHBondContact O-CG1 3.27Å; L382-G386 PolarHBondContact O-N 2.94Å; L382-A387 HydrophobicContact CB-CB 4.04Å; L382-A387 HydrophobicContact CD2-CB 3.85Å; L382-A387 WeakPolarHBondContact O-CB 3.39Å; L382-A387 PolarHBondContact O-N 2.86Å; L382-L391 HydrophobicContact CD1-CG 4.4Å; L382-L391 HydrophobicContact CD2-CD2 4.3Å
383	Q	94.9	Very high	95.5	Very high	53 Å²	53	45.1 Å²	45.1	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-43.5	175.3	-177.7	66.2	36.9	0	0	111.8	L163 V164 N379 Y380 F381 I385 G386	L163-Q383 PolarHBondContact O-NE2 2.89Å; V164-Q383 HydrophobicContact CG2-CG 4.31Å; N379-Q383 PolarHBondContact O-N 3.4Å; Y380-Q383 WeakPolarHBondContact O-CB 3.39Å; Y380-Q383 PolarHBondContact O-N 3.37Å; F381-Q383 VanDerWaalsContact C-N 3.33Å; F381-Q383 PolarHBondContact O-N 2.99Å; Q383-I385 PolarHBondContact O-N 3.32Å; Q383-G386 PolarHBondContact O-N 3.4Å
384	M	93.3	Very high	95.4	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.044	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-41	-178.2	-179.1	-170.6	70.3	0	0	112.4	L159 V164 T275 F367 Y380 F381 G386	L159-M384 HydrophobicContact CB-SD 3.99Å; L159-M384 HydrophobicContact CD1-SD 3.77Å; L159-M384 HydrophobicContact CD2-CE 3.85Å; L159-M384 HydrophobicContact CD2-SD 3.81Å; L159-M384 HydrophobicContact CG-SD 4.08Å; V164-M384 HydrophobicContact CG2-CB 4.12Å; T275-M384 HydrophobicContact CG2-CE 4.09Å; F367-M384 HydrophobicContact CD2-CE 4.05Å; Y380-M384 WeakPolarHBondContact O-CB 3.23Å; Y380-M384 PolarHBondContact O-N 3.23Å; F381-M384 HydrophobicContact CD2-CE 3.41Å; F381-M384 VanDerWaalsContact CD2-CE 3.41Å; F381-M384 HydrophobicContact CE2-CE 3.54Å; F381-M384 HydrophobicContact CG-CE 4.46Å; F381-M384 WeakPolarHBondContact O-CB 3.38Å; F381-M384 PolarHBondContact O-N 2.63Å; F381-M384 VanDerWaalsContact O-N 3.14Å; M384-G386 PolarHBondContact O-N 3.46Å
385	I	94	Very high	95	Very high	22 Å²	22	45.9 Å²	45.9	11%	0.113	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-1.8	179.4	63.9	161.5	0	0	0	113.7	H213 I215 L235 F381 L382 Q383 A387	H213-I385 HydrophobicContact CB-CD1 4.35Å; I215-I385 HydrophobicContact CD1-CD1 3.36Å; I215-I385 HydrophobicContact CG1-CD1 4.25Å; I215-I385 HydrophobicContact CG1-CG2 4.49Å; L235-I385 HydrophobicContact CD1-CD1 3.95Å; F381-I385 HydrophobicContact CD1-CG2 4.41Å; F381-I385 HydrophobicContact CD2-CG2 4.39Å; F381-I385 HydrophobicContact CE1-CD1 4.24Å; F381-I385 HydrophobicContact CE1-CG2 3.94Å; F381-I385 HydrophobicContact CE2-CG2 3.92Å; F381-I385 HydrophobicContact CZ-CG2 3.67Å; F381-I385 WeakPolarHBondContact O-CG1 3.19Å; F381-I385 PolarHBondContact O-N 2.95Å; L382-I385 HydrophobicContact CD2-CD1 4.22Å; L382-I385 VanDerWaalsContact O-CG1 3.24Å; L382-I385 WeakPolarHBondContact O-CG1 3.27Å; Q383-I385 PolarHBondContact O-N 3.32Å; I385-A387 HydrophobicContact CD1-CB 4.15Å; I385-A387 HydrophobicContact CG1-CB 4.16Å
386	G	93.7	Very high	94.9	Very high	35 Å²	35	43.2 Å²	43.2	36%	0.361	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	32.4	-177.1	0	0	0	0	0	114.2	L163 L382 Q383 M384	L163-G386 VanDerWaalsContact CD1-CA 3.49Å; L382-G386 PolarHBondContact O-N 2.94Å; Q383-G386 PolarHBondContact O-N 3.4Å; M384-G386 PolarHBondContact O-N 3.46Å
387	A	95.2	Very high	94.6	Very high	12 Å²	12	41.7 Å²	41.7	10%	0.099	21%	0.211	C	C	.	.			trans	-61.4	157.9	172.2	0	0	0	0	0	111.4	L235 L382 I385 K389 L391	L235-A387 HydrophobicContact CD2-CB 3.71Å; L382-A387 HydrophobicContact CB-CB 4.04Å; L382-A387 HydrophobicContact CD2-CB 3.85Å; L382-A387 WeakPolarHBondContact O-CB 3.39Å; L382-A387 PolarHBondContact O-N 2.86Å; I385-A387 HydrophobicContact CD1-CB 4.15Å; I385-A387 HydrophobicContact CG1-CB 4.16Å; A387-K389 PolarHBondContact O-N 2.92Å; A387-L391 HydrophobicContact CB-CD2 4.49Å
388	P	94.3	Very high	94.2	Very high	66 Å²	66	43.4 Å²	43.4	43%	0.429	22%	0.221	S	C	.	.			trans	-50.8	137.1	172.2	-26.5	35.1	0	0	0	111.8	E390 L391	P388-E390 PolarHBondContact O-N 3.23Å; P388-L391 HydrophobicContact CB-CB 4.32Å; P388-L391 WeakPolarHBondContact O-CB 3.47Å; P388-L391 PolarHBondContact O-N 3.2Å
389	K	90.9	Very high	93.8	Very high	156 Å²	156	47.1 Å²	47.1	68%	0.678	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-31.6	-171.2	-70.8	-178.2	179	177.1	0	112.8	A387 L391 K392	A387-K389 PolarHBondContact O-N 2.92Å; K389-L391 VanDerWaalsContact C-N 3.32Å; K389-K392 WeakPolarHBondContact O-CE 3.45Å; K389-K392 PolarHBondContact O-NZ 2.92Å
390	E	92.7	Very high	93.5	Very high	159 Å²	159	48.1 Å²	48.1	74%	0.743	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-20.2	-179.3	-56	69.9	-147.8	0	0	111.7	P388 K392	P388-E390 PolarHBondContact O-N 3.23Å; E390-K392 PolarHBondContact O-N 2.8Å
391	L	95.8	Very high	93.1	Very high	19 Å²	19	52.6 Å²	52.6	10%	0.099	27%	0.27	C	S	.	.			trans	-73.9	115.2	177.2	-175.2	57.5	0	0	0	109.7	I231 V234 L235 L382 A387 P388 K389	I231-L391 HydrophobicContact CD1-CD1 3.59Å; I231-L391 HydrophobicContact CD1-CD2 4.22Å; I231-L391 HydrophobicContact CD1-CG 3.9Å; V234-L391 HydrophobicContact CB-CD1 4.2Å; V234-L391 HydrophobicContact CB-CD2 4.36Å; V234-L391 HydrophobicContact CG1-CD1 3.78Å; V234-L391 HydrophobicContact CG1-CD2 3.99Å; V234-L391 HydrophobicContact CG1-CG 4.48Å; L235-L391 HydrophobicContact CD2-CD2 3.57Å; L235-L391 HydrophobicContact CG-CD2 3.93Å; L382-L391 HydrophobicContact CD1-CG 4.4Å; L382-L391 HydrophobicContact CD2-CD2 4.3Å; A387-L391 HydrophobicContact CB-CD2 4.49Å; P388-L391 HydrophobicContact CB-CB 4.32Å; P388-L391 WeakPolarHBondContact O-CB 3.47Å; P388-L391 PolarHBondContact O-N 3.2Å; K389-L391 VanDerWaalsContact C-N 3.32Å
392	K	95.8	Very high	92.7	Very high	99 Å²	99	57.4 Å²	57.4	43%	0.43	30%	0.304	S	S	.	.			trans	-117.3	153.1	173.4	-59.2	-60.3	173.4	-152.5	0	110.9	N379 K389 E390	N379-K392 WeakPolarHBondContact OD1-CA 3.37Å; N379-K392 WeakPolarHBondContact OD1-CD 3.44Å; K389-K392 WeakPolarHBondContact O-CE 3.45Å; K389-K392 PolarHBondContact O-NZ 2.92Å; E390-K392 PolarHBondContact O-N 2.8Å
393	F	96.3	Very high	92.5	Very high	10 Å²	10	59.2 Å²	59.2	4%	0.044	31%	0.314	C	S	.	.			trans	-63.1	128	174	-170.4	-96.3	0	0	0	110.4	N227 W228 I231 L374 A378 N379 N395	N227-F393 HydrophobicContact CB-CE1 4.07Å; N227-F393 HydrophobicContact CB-CE2 3.94Å; N227-F393 HydrophobicContact CB-CZ 3.5Å; W228-F393 AromaticContact CD1-CE2 3.78Å; W228-F393 HydrophobicContact CD2-CD2 4.46Å; W228-F393 AromaticContact CD2-CE2 3.9Å; W228-F393 HydrophobicContact CD2-CE2 3.9Å; W228-F393 AromaticContact CE2-CE2 3.58Å; W228-F393 AromaticContact CG-CE2 3.96Å; W228-F393 HydrophobicContact CG-CE2 3.96Å; W228-F393 HydrophobicContact CH2-CD2 4.48Å; W228-F393 HydrophobicContact CZ2-CD2 4.03Å; W228-F393 HydrophobicContact CZ2-CE2 4.02Å; W228-F393 AromaticContact NE1-CE2 3.57Å; I231-F393 HydrophobicContact CG1-CD2 4.16Å; L374-F393 HydrophobicContact CD1-CE1 4.24Å; L374-F393 HydrophobicContact CD1-CZ 4.05Å; L374-F393 HydrophobicContact CD2-CD1 4.36Å; L374-F393 HydrophobicContact CD2-CE1 3.38Å; L374-F393 HydrophobicContact CD2-CZ 3.66Å; L374-F393 HydrophobicContact CG-CD1 4.15Å; L374-F393 HydrophobicContact CG-CE1 3.57Å; L374-F393 HydrophobicContact CG-CZ 3.89Å; A378-F393 HydrophobicContact CB-CB 3.51Å; A378-F393 HydrophobicContact CB-CD1 4.22Å; A378-F393 HydrophobicContact CB-CD2 3.47Å; A378-F393 VanDerWaalsContact CB-CD2 3.47Å; A378-F393 HydrophobicContact CB-CE2 4.24Å; A378-F393 HydrophobicContact CB-CG 3.44Å; A378-F393 VanDerWaalsContact CB-CG 3.44Å; N379-F393 PolarHBondContact OD1-N 2.97Å; F393-N395 PolarHBondContact O-N 3.33Å
394	P	94.4	Very high	92.5	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.006	33%	0.329	C	S	.	.			trans	-69.2	131.5	-176.6	-17	28.9	0	0	0	112.3	N227 I231 A242 F396	N227-P394 HydrophobicContact CB-CG 4.35Å; N227-P394 PolarHBondContact ND2-O 2.72Å; I231-P394 HydrophobicContact CD1-CG 4.49Å; A242-P394 HydrophobicContact CB-CG 3.44Å; A242-P394 VanDerWaalsContact CB-CG 3.44Å; P394-F396 HydrophobicContact CB-CD1 3.64Å; P394-F396 HydrophobicContact CB-CE1 3.36Å; P394-F396 HydrophobicContact CB-CZ 4.18Å; P394-F396 HydrophobicContact CG-CE1 4.22Å
395	N	89.8	Confident	92.5	Very high	94 Å²	94	67.6 Å²	67.6	50%	0.503	35%	0.348	S	S	.	.			trans	-95.1	5.1	-178.9	70	-5.1	0	0	0	114.1	F393 R405	F393-N395 PolarHBondContact O-N 3.33Å; N395-R405 PolarHBondContact O-NH2 3.32Å
396	F	91.9	Very high	92.6	Very high	59 Å²	59	67 Å²	67	26%	0.259	35%	0.345	S	S	.	.	S	Bend	trans	-82.8	157.5	175.6	66.5	-95.1	0	0	0	112	N227 Y243 P394 R405	N227-F396 PolarHBondContact ND2-O 3.46Å; N227-F396 VanDerWaalsContact ND2-O 3.12Å; Y243-F396 AromaticContact CD1-CD1 3.53Å; Y243-F396 HydrophobicContact CD1-CD1 3.53Å; Y243-F396 AromaticContact CD1-CE1 3.67Å; Y243-F396 HydrophobicContact CD1-CE1 3.67Å; Y243-F396 AromaticContact CE1-CD1 3.58Å; Y243-F396 HydrophobicContact CE1-CD1 3.58Å; Y243-F396 HydrophobicContact CE1-CE1 4.06Å; Y243-F396 HydrophobicContact CG-CD1 4.4Å; Y243-F396 HydrophobicContact CG-CE1 4.11Å; P394-F396 HydrophobicContact CB-CD1 3.64Å; P394-F396 HydrophobicContact CB-CE1 3.36Å; P394-F396 HydrophobicContact CB-CZ 4.18Å; P394-F396 HydrophobicContact CG-CE1 4.22Å; F396-R405 PolarHBondContact O-NH2 3.13Å
397	K	91.8	Very high	92.7	Very high	52 Å²	52	68.3 Å²	68.3	23%	0.226	34%	0.344	C	S	.	.			trans	-93.8	123.5	176.6	-172.8	-178.4	176.4	-167.5	0	109.3	R399 H400 D403 E404 R405	K397-R399 WeakPolarHBondContact CE-O 3.26Å; K397-R399 WeakPolarHBondContact CG-O 3.41Å; K397-H400 WeakPolarHBondContact CD-O 3.13Å; K397-H400 VanDerWaalsContact CE-O 3.28Å; K397-H400 WeakPolarHBondContact CE-O 3.41Å; K397-H400 PolarHBondContact NZ-O 3.04Å; K397-D403 VanDerWaalsContact NZ-CB 3.26Å; K397-D403 PolarHBondContact NZ-O 3.03Å; K397-E404 PolarHBondContact NZ-O 3.37Å; K397-R405 HydrophobicContact CD-CG 4.46Å
398	D	89.4	Confident	92.6	Very high	39 Å²	39	70 Å²	70	21%	0.209	36%	0.358	C	S	.	.	S	Bend	trans	-63.6	-49.7	-169.8	179.8	48.8	0	0	0	114.5	S226 R230 H247 H251	S226-D398 WeakPolarHBondContact CB-OD2 3.39Å; S226-D398 PolarHBondContact OG-OD2 3.37Å; R230-D398 IonicContact CZ-OD1 3.97Å; R230-D398 IonicContact NH1-OD1 3.67Å; R230-D398 PolarHBondContact NH1-OD1 3.27Å; R230-D398 IonicContact NH2-OD1 2.67Å; R230-D398 PolarHBondContact NH2-OD1 3.36Å; H247-D398 IonicContact CE1-OD2 2.71Å; H247-D398 PolarHBondContact CE1-OD2 3.13Å; H247-D398 IonicContact CG-OD2 2.72Å; H247-D398 IonicContact ND1-OD1 3.43Å; H247-D398 IonicContact ND1-OD2 3.88Å; H247-D398 PolarHBondContact ND1-OD2 2.94Å; H251-D398 IonicContact NE2-OD2 2.84Å
399	R	89.3	Confident	92.6	Very high	77 Å²	77	71.3 Å²	71.3	29%	0.291	36%	0.358	S	S	.	.	S	Bend	trans	-122	152.7	175.4	-67.8	-172.9	73.3	123	-0.8	109.9	H247 K397 S401	H247-R399 VanDerWaalsContact CE1-CD 3.45Å; H247-R399 WeakPolarHBondContact CE1-CD 3.45Å; H247-R399 PolarHBondContact NE2-NH1 2.91Å; K397-R399 WeakPolarHBondContact CE-O 3.26Å; K397-R399 WeakPolarHBondContact CG-O 3.41Å; R399-S401 VanDerWaalsContact C-N 3.27Å; R399-S401 PolarHBondContact O-N 2.92Å
400	H	90.3	Very high	92.8	Very high	41 Å²	41	64.1 Å²	64.1	19%	0.19	33%	0.327	C	S	.	.	S	Bend	trans	52.7	51.7	176	-49.6	-56	0	0	0	110	H297 K397 S402 D403	H297-H400 WeakPolarHBondContact CB-CE1 3.39Å; H297-H400 AromaticContact CD2-CE1 3.29Å; H297-H400 PolarHBondContact CD2-CE1 3.31Å; H297-H400 AromaticContact CD2-CG 3.49Å; H297-H400 VanDerWaalsContact CD2-CG 3.49Å; H297-H400 AromaticContact CD2-ND1 2.9Å; H297-H400 PolarHBondContact CD2-ND1 3.35Å; H297-H400 AromaticContact CG-CE1 3.41Å; H297-H400 VanDerWaalsContact CG-CE1 3.41Å; H297-H400 AromaticContact CG-CG 3.88Å; H297-H400 AromaticContact CG-ND1 3.46Å; H297-H400 AromaticContact CG-NE2 3.88Å; H297-H400 AromaticContact NE2-CG 3.59Å; H297-H400 AromaticContact NE2-ND1 3.44Å; H297-H400 PolarHBondContact NE2-ND1 3.48Å; K397-H400 WeakPolarHBondContact CD-O 3.13Å; K397-H400 VanDerWaalsContact CE-O 3.28Å; K397-H400 WeakPolarHBondContact CE-O 3.41Å; K397-H400 PolarHBondContact NZ-O 3.04Å; H400-S402 PolarHBondContact O-N 2.82Å; H400-D403 WeakPolarHBondContact O-CB 3.48Å; H400-D403 PolarHBondContact O-N 3.1Å; H400-D403 VanDerWaalsContact O-N 3.08Å
401	S	88.3	Confident	93	Very high	94 Å²	94	57 Å²	57	66%	0.657	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.6	-168.6	53.8	0	0	0	0	113.4	R399 D403	R399-S401 VanDerWaalsContact C-N 3.27Å; R399-S401 PolarHBondContact O-N 2.92Å; S401-D403 VanDerWaalsContact C-N 3.3Å
402	S	89.3	Confident	93	Very high	105 Å²	105	61.9 Å²	61.9	73%	0.734	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-29.3	172.2	47.9	0	0	0	0	113.3	H400	H400-S402 PolarHBondContact O-N 2.82Å
403	D	92.1	Very high	92.9	Very high	42 Å²	42	61.2 Å²	61.2	23%	0.225	31%	0.31	C	S	.	.	S	Bend	trans	-81.8	145	-173.4	-58	3.1	0	0	0	111	H297 K397 H400 S401	H297-D403 IonicContact CE1-OD2 2.78Å; H297-D403 PolarHBondContact CE1-OD2 3.44Å; H297-D403 IonicContact NE2-OD1 3.64Å; H297-D403 IonicContact NE2-OD2 2.68Å; H297-D403 PolarHBondContact NE2-OD2 2.84Å; H297-D403 VanDerWaalsContact NE2-OD2 3.17Å; K397-D403 VanDerWaalsContact NZ-CB 3.26Å; K397-D403 PolarHBondContact NZ-O 3.03Å; H400-D403 WeakPolarHBondContact O-CB 3.48Å; H400-D403 PolarHBondContact O-N 3.1Å; H400-D403 VanDerWaalsContact O-N 3.08Å; S401-D403 VanDerWaalsContact C-N 3.3Å
404	E	93.4	Very high	92.9	Very high	121 Å²	121	62.8 Å²	62.8	57%	0.565	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-55.2	145.3	171.5	68.4	174.8	160.4	0	0	111.9	R292 K397 T406 V410	R292-E404 PolarHBondContact NH1-O 2.83Å; R292-E404 PolarHBondContact NH2-O 2.95Å; K397-E404 PolarHBondContact NZ-O 3.37Å; E404-T406 PolarHBondContact O-N 3.46Å; E404-V410 HydrophobicContact CG-CG2 4.1Å; E404-V410 WeakPolarHBondContact OE1-CG2 3.35Å
405	R	94.1	Very high	93	Very high	117 Å²	117	63.3 Å²	63.3	44%	0.442	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-65.5	135.6	173	-73.1	-174.1	167.4	91.7	3.5	109	N395 F396 K397 N407	N395-R405 PolarHBondContact O-NH2 3.32Å; F396-R405 PolarHBondContact O-NH2 3.13Å; K397-R405 HydrophobicContact CD-CG 4.46Å; R405-N407 PolarHBondContact O-N 3.26Å
406	T	96.2	Very high	93.2	Very high	9 Å²	9	65.2 Å²	65.2	6%	0.055	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-53.8	135.6	167.6	-55.1	0	0	0	0	108.5	R281 E285 V288 R292 E404 V410 V411	R281-T406 VanDerWaalsContact NH2-C 3.3Å; R281-T406 PolarHBondContact NH2-O 3.14Å; E285-T406 HydrophobicContact CB-CG2 4.43Å; E285-T406 WeakPolarHBondContact O-CG2 3.32Å; V288-T406 HydrophobicContact CB-CG2 3.93Å; V288-T406 HydrophobicContact CG1-CG2 3.72Å; R292-T406 PolarHBondContact NH1-OG1 2.87Å; R292-T406 VanDerWaalsContact NH1-OG1 3.11Å; E404-T406 PolarHBondContact O-N 3.46Å; T406-V410 HydrophobicContact CG2-CB 4.44Å; T406-V410 HydrophobicContact CG2-CG1 4.26Å; T406-V411 HydrophobicContact CG2-CG2 4.1Å
407	N	94.6	Very high	93.1	Very high	63 Å²	63	68.1 Å²	68.1	34%	0.337	34%	0.341	S	S	.	.			trans	-151.1	178.2	176.7	61.4	39.6	0	0	0	107.7	E285 R405 Q409 V410 V411	E285-N407 WeakPolarHBondContact OE1-CA 3.41Å; R405-N407 PolarHBondContact O-N 3.26Å; N407-Q409 PolarHBondContact O-N 3.15Å; N407-Q409 VanDerWaalsContact O-N 3.16Å; N407-Q409 WeakPolarHBondContact OD1-CA 3.31Å; N407-Q409 WeakPolarHBondContact OD1-CB 3.41Å; N407-Q409 PolarHBondContact OD1-N 3.18Å; N407-V410 PolarHBondContact O-N 3.34Å; N407-V410 VanDerWaalsContact O-N 3.11Å; N407-V410 PolarHBondContact OD1-N 3.12Å; N407-V411 WeakPolarHBondContact O-CG2 3.46Å; N407-V411 PolarHBondContact O-N 3.48Å
408	A	93.9	Very high	93.4	Very high	47 Å²	47	65.9 Å²	65.9	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-53.3	-34.4	178.4	0	0	0	0	0	114.8	E285 R412	E285-A408 PolarHBondContact OE1-N 2.81Å; A408-R412 WeakPolarHBondContact O-CG 3.5Å; A408-R412 PolarHBondContact O-N 3.17Å
409	Q	94.3	Very high	93.7	Very high	93 Å²	93	67.4 Å²	67.4	44%	0.435	34%	0.342	S	S	.	.	H	α-helix	trans	-70.9	-43.1	177.7	178	64.6	-0.5	0	0	111.7	N407 R412 Q413	N407-Q409 PolarHBondContact O-N 3.15Å; N407-Q409 VanDerWaalsContact O-N 3.16Å; N407-Q409 WeakPolarHBondContact OD1-CA 3.31Å; N407-Q409 WeakPolarHBondContact OD1-CB 3.41Å; N407-Q409 PolarHBondContact OD1-N 3.18Å; Q409-R412 WeakPolarHBondContact O-CB 3.49Å; Q409-R412 PolarHBondContact O-N 3.28Å; Q409-Q413 PolarHBondContact O-N 2.99Å
410	V	95.9	Very high	93.9	Very high	6 Å²	6	72.7 Å²	72.7	4%	0.036	36%	0.362	C	S	.	.	H	α-helix	trans	-59.4	-49.6	173.6	177.3	0	0	0	0	109.4	V288 E404 T406 N407 R412 Q413 Y414	V288-V410 HydrophobicContact CG1-CG1 4.22Å; E404-V410 HydrophobicContact CG-CG2 4.1Å; E404-V410 WeakPolarHBondContact OE1-CG2 3.35Å; T406-V410 HydrophobicContact CG2-CB 4.44Å; T406-V410 HydrophobicContact CG2-CG1 4.26Å; N407-V410 PolarHBondContact O-N 3.34Å; N407-V410 VanDerWaalsContact O-N 3.11Å; N407-V410 PolarHBondContact OD1-N 3.12Å; V410-R412 VanDerWaalsContact C-N 3.27Å; V410-R412 PolarHBondContact O-N 3.25Å; V410-Q413 WeakPolarHBondContact O-CB 3.28Å; V410-Q413 PolarHBondContact O-N 3.08Å; V410-Y414 HydrophobicContact CG1-CD2 4.04Å; V410-Y414 HydrophobicContact CG1-CE2 3.58Å; V410-Y414 VanDerWaalsContact O-CD2 3.28Å; V410-Y414 WeakPolarHBondContact O-CD2 3.27Å; V410-Y414 PolarHBondContact O-N 2.71Å
411	V	96.3	Very high	94.2	Very high	8 Å²	8	75.4 Å²	75.4	5%	0.048	38%	0.382	C	S	.	.	H	α-helix	trans	-53	-45.2	177.6	170.7	0	0	0	0	111.6	M284 E285 V288 T406 N407 Q413 Y414 L415	M284-V411 HydrophobicContact CB-CG1 3.88Å; E285-V411 HydrophobicContact CB-CG2 4.17Å; E285-V411 HydrophobicContact CG-CG2 3.75Å; V288-V411 HydrophobicContact CB-CG2 4.13Å; V288-V411 HydrophobicContact CG2-CB 4.48Å; V288-V411 HydrophobicContact CG2-CG1 4.46Å; V288-V411 HydrophobicContact CG2-CG2 4Å; T406-V411 HydrophobicContact CG2-CG2 4.1Å; N407-V411 WeakPolarHBondContact O-CG2 3.46Å; N407-V411 PolarHBondContact O-N 3.48Å; V411-Q413 PolarHBondContact O-N 3.13Å; V411-Y414 PolarHBondContact O-N 2.69Å; V411-Y414 VanDerWaalsContact O-N 3.1Å; V411-L415 HydrophobicContact CG1-CD1 3.65Å; V411-L415 HydrophobicContact CG1-CG 3.95Å; V411-L415 WeakPolarHBondContact O-CG 3.29Å; V411-L415 PolarHBondContact O-N 2.79Å
412	R	94.9	Very high	94.6	Very high	122 Å²	122	71.9 Å²	71.9	46%	0.46	36%	0.355	S	S	.	.	H	α-helix	trans	-55.3	-36.5	176.7	-78.2	-174	-69.7	-95.2	8.9	112.8	A408 Q409 V410 L415 K416	A408-R412 WeakPolarHBondContact O-CG 3.5Å; A408-R412 PolarHBondContact O-N 3.17Å; Q409-R412 WeakPolarHBondContact O-CB 3.49Å; Q409-R412 PolarHBondContact O-N 3.28Å; V410-R412 VanDerWaalsContact C-N 3.27Å; V410-R412 PolarHBondContact O-N 3.25Å; R412-L415 PolarHBondContact O-N 3.41Å; R412-K416 WeakPolarHBondContact O-CG 3.32Å; R412-K416 PolarHBondContact O-N 3.4Å
413	Q	95.4	Very high	95	Very high	86 Å²	86	69.2 Å²	69.2	40%	0.402	33%	0.329	S	S	.	.	H	α-helix	trans	-65.5	-43.2	177.8	-56.2	-59	-19	0	0	112	Q409 V410 V411 L415 K416	Q409-Q413 PolarHBondContact O-N 2.99Å; V410-Q413 WeakPolarHBondContact O-CB 3.28Å; V410-Q413 PolarHBondContact O-N 3.08Å; V411-Q413 PolarHBondContact O-N 3.13Å; Q413-L415 VanDerWaalsContact C-N 3.34Å; Q413-L415 PolarHBondContact O-N 3.31Å; Q413-K416 WeakPolarHBondContact O-CB 3.4Å; Q413-K416 PolarHBondContact O-N 2.88Å
414	Y	96.3	Very high	95.2	Very high	42 Å²	42	70.4 Å²	70.4	17%	0.165	33%	0.333	C	S	.	.	H	α-helix	trans	-68.6	-33.4	178	-72.3	-92	0	0	0	112.8	V288 F291 R292 E296 F331 V410 V411 K416	V288-Y414 HydrophobicContact CG1-CD1 4.46Å; V288-Y414 HydrophobicContact CG1-CD2 3.44Å; V288-Y414 VanDerWaalsContact CG1-CD2 3.44Å; V288-Y414 HydrophobicContact CG1-CE2 3.65Å; V288-Y414 HydrophobicContact CG1-CG 3.91Å; V288-Y414 HydrophobicContact CG2-CD2 4.37Å; V288-Y414 HydrophobicContact CG2-CG 4.23Å; F291-Y414 HydrophobicContact CD1-CD1 4.23Å; F291-Y414 AromaticContact CD1-CE1 3.74Å; F291-Y414 HydrophobicContact CD1-CE1 3.74Å; F291-Y414 HydrophobicContact CE1-CD1 4.35Å; F291-Y414 AromaticContact CE1-CE1 3.75Å; F291-Y414 HydrophobicContact CE1-CE1 3.75Å; R292-Y414 WeakPolarHBondContact CD-OH 3.23Å; R292-Y414 HydrophobicContact CG-CE1 4.35Å; R292-Y414 HydrophobicContact CG-CE2 4.31Å; R292-Y414 VanDerWaalsContact CG-OH 3.3Å; R292-Y414 WeakPolarHBondContact CG-OH 3.33Å; R292-Y414 PolarHBondContact NE-OH 2.71Å; E296-Y414 VanDerWaalsContact CD-OH 3.3Å; E296-Y414 VanDerWaalsContact OE1-CE1 3.32Å; E296-Y414 WeakPolarHBondContact OE1-CE1 3.25Å; E296-Y414 VanDerWaalsContact OE1-CZ 3.25Å; E296-Y414 PolarHBondContact OE1-OH 3.17Å; E296-Y414 PolarHBondContact OE2-OH 2.89Å; F331-Y414 HydrophobicContact CB-CD1 3.81Å; F331-Y414 HydrophobicContact CD1-CD1 4.09Å; F331-Y414 HydrophobicContact CD1-CG 4.37Å; F331-Y414 WeakPolarHBondContact CD1-O 3.16Å; F331-Y414 AromaticContact CD2-CD1 3.94Å; F331-Y414 HydrophobicContact CD2-CD1 3.94Å; F331-Y414 AromaticContact CG-CD1 3.68Å; F331-Y414 HydrophobicContact CG-CD1 3.68Å; F331-Y414 HydrophobicContact CG-CG 4.38Å; V410-Y414 HydrophobicContact CG1-CD2 4.04Å; V410-Y414 HydrophobicContact CG1-CE2 3.58Å; V410-Y414 VanDerWaalsContact O-CD2 3.28Å; V410-Y414 WeakPolarHBondContact O-CD2 3.27Å; V410-Y414 PolarHBondContact O-N 2.71Å; V411-Y414 PolarHBondContact O-N 2.69Å; V411-Y414 VanDerWaalsContact O-N 3.1Å; Y414-K416 VanDerWaalsContact C-N 3.31Å; Y414-K416 PolarHBondContact O-N 3.39Å
415	L	94.9	Very high	95.4	Very high	13 Å²	13	68.5 Å²	68.5	7%	0.068	33%	0.326	C	S	.	.	H	α-helix	trans	-76.6	-14.9	-179.5	-65.6	-173.7	0	0	0	113.6	M284 F331 V411 R412 Q413 D417 L418 R423	M284-L415 HydrophobicContact SD-CD2 4.29Å; F331-L415 HydrophobicContact CE1-CD2 4.3Å; V411-L415 HydrophobicContact CG1-CD1 3.65Å; V411-L415 HydrophobicContact CG1-CG 3.95Å; V411-L415 WeakPolarHBondContact O-CG 3.29Å; V411-L415 PolarHBondContact O-N 2.79Å; R412-L415 PolarHBondContact O-N 3.41Å; Q413-L415 VanDerWaalsContact C-N 3.34Å; Q413-L415 PolarHBondContact O-N 3.31Å; L415-D417 VanDerWaalsContact C-N 3.28Å; L415-D417 PolarHBondContact O-N 3.43Å; L415-L418 HydrophobicContact CD2-CD1 3.81Å; L415-L418 PolarHBondContact O-N 3.47Å; L415-R423 HydrophobicContact CD2-CG 4.3Å; L415-R423 PolarHBondContact O-NH1 3.44Å
416	K	94.3	Very high	95.5	Very high	133 Å²	133	63 Å²	63	58%	0.578	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.7	178.4	-81.1	171.1	-177.7	-175.2	0	113.1	R412 Q413 Y414 L418	R412-K416 WeakPolarHBondContact O-CG 3.32Å; R412-K416 PolarHBondContact O-N 3.4Å; Q413-K416 WeakPolarHBondContact O-CB 3.4Å; Q413-K416 PolarHBondContact O-N 2.88Å; Y414-K416 VanDerWaalsContact C-N 3.31Å; Y414-K416 PolarHBondContact O-N 3.39Å; K416-L418 PolarHBondContact O-N 3Å
417	D	91.3	Very high	95.5	Very high	120 Å²	120	63.7 Å²	63.7	64%	0.642	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.7	-176.6	-61.6	-25.1	0	0	0	113.2	L415	L415-D417 VanDerWaalsContact C-N 3.28Å; L415-D417 PolarHBondContact O-N 3.43Å
418	L	96.2	Very high	95.6	Very high	6 Å²	6	64.6 Å²	64.6	3%	0.031	31%	0.312	C	S	.	.	S	Bend	trans	-100.9	146.8	178.9	-56.1	-175.8	0	0	0	110.9	F331 K332 I335 L415 K416 E422 R423 I426	F331-L418 HydrophobicContact CD1-CD1 4.34Å; F331-L418 HydrophobicContact CE1-CD1 3.9Å; K332-L418 HydrophobicContact CB-CD2 3.97Å; K332-L418 HydrophobicContact CD-CD2 4.47Å; K332-L418 HydrophobicContact CG-CD2 3.89Å; I335-L418 HydrophobicContact CG1-CD1 3.99Å; I335-L418 HydrophobicContact CG1-CD2 4.3Å; L415-L418 HydrophobicContact CD2-CD1 3.81Å; L415-L418 PolarHBondContact O-N 3.47Å; K416-L418 PolarHBondContact O-N 3Å; L418-E422 HydrophobicContact CB-CB 4.12Å; L418-R423 HydrophobicContact CB-CG 3.83Å; L418-R423 HydrophobicContact CD1-CG 4.25Å; L418-R423 PolarHBondContact O-NH1 2.83Å; L418-I426 HydrophobicContact CD1-CD1 3.57Å
419	T	96	Very high	95.8	Very high	71 Å²	71	64 Å²	64	44%	0.436	30%	0.3	S	S	.	.			trans	-70.9	159.4	168.8	61.8	0	0	0	0	110.9	T421 E422 R423	T419-T421 PolarHBondContact O-N 2.97Å; T419-E422 WeakPolarHBondContact CB-OE2 3.3Å; T419-E422 WeakPolarHBondContact CG2-OE2 3.32Å; T419-E422 PolarHBondContact N-OE2 3.04Å; T419-E422 PolarHBondContact O-N 2.81Å; T419-E422 VanDerWaalsContact O-N 3.15Å; T419-E422 WeakPolarHBondContact OG1-CB 3.44Å; T419-E422 VanDerWaalsContact OG1-CD 3.32Å; T419-E422 VanDerWaalsContact OG1-CG 3.27Å; T419-E422 WeakPolarHBondContact OG1-CG 3.29Å; T419-E422 PolarHBondContact OG1-N 2.74Å; T419-E422 VanDerWaalsContact OG1-N 3.16Å; T419-E422 PolarHBondContact OG1-OE2 3.24Å; T419-R423 WeakPolarHBondContact O-CG 3.41Å; T419-R423 PolarHBondContact O-N 2.47Å
420	R	95.1	Very high	96	Very high	187 Å²	187	59.5 Å²	59.5	71%	0.706	28%	0.28	S	S	*	.	H	α-helix	trans	-54.5	-39.8	173.1	-174.3	179.2	178	-170.4	-0.8	112.1	R423 Q424	R420-R423 PolarHBondContact O-N 3.45Å; R420-Q424 WeakPolarHBondContact O-CB 3.46Å; R420-Q424 PolarHBondContact O-N 3.33Å
421	T	96.1	Very high	96	Very high	98 Å²	98	63.9 Å²	63.9	60%	0.601	30%	0.296	S	S	*	.	H	α-helix	trans	-64	-45.8	177.4	-53.6	0	0	0	0	111.7	T419 R423 Q424 L425	T419-T421 PolarHBondContact O-N 2.97Å; T421-R423 VanDerWaalsContact C-N 3.32Å; T421-R423 PolarHBondContact O-N 3.11Å; T421-Q424 PolarHBondContact O-N 3.13Å; T421-L425 HydrophobicContact CG2-CD1 4.17Å; T421-L425 HydrophobicContact CG2-CG 4.5Å; T421-L425 VanDerWaalsContact O-CG 3.31Å; T421-L425 WeakPolarHBondContact O-CG 3.28Å; T421-L425 PolarHBondContact O-N 3.1Å
422	E	96.4	Very high	95.9	Very high	20 Å²	20	67 Å²	67	9%	0.093	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-42.7	176.3	-74.4	162.5	139.8	0	0	111.2	K332 H336 L418 T419 L425 I426	K332-E422 WeakPolarHBondContact CE-OE1 3.34Å; K332-E422 IonicContact NZ-OE1 3.4Å; K332-E422 IonicContact NZ-OE2 3.82Å; H336-E422 IonicContact CD2-OE1 3.59Å; H336-E422 IonicContact CE1-OE1 3.92Å; H336-E422 IonicContact NE2-OE1 3.63Å; H336-E422 PolarHBondContact NE2-OE1 3.07Å; L418-E422 HydrophobicContact CB-CB 4.12Å; T419-E422 WeakPolarHBondContact CB-OE2 3.3Å; T419-E422 WeakPolarHBondContact CG2-OE2 3.32Å; T419-E422 PolarHBondContact N-OE2 3.04Å; T419-E422 PolarHBondContact O-N 2.81Å; T419-E422 VanDerWaalsContact O-N 3.15Å; T419-E422 WeakPolarHBondContact OG1-CB 3.44Å; T419-E422 VanDerWaalsContact OG1-CD 3.32Å; T419-E422 VanDerWaalsContact OG1-CG 3.27Å; T419-E422 WeakPolarHBondContact OG1-CG 3.29Å; T419-E422 PolarHBondContact OG1-N 2.74Å; T419-E422 VanDerWaalsContact OG1-N 3.16Å; T419-E422 PolarHBondContact OG1-OE2 3.24Å; E422-L425 PolarHBondContact O-N 3.01Å; E422-I426 VanDerWaalsContact O-CG1 3.26Å; E422-I426 WeakPolarHBondContact O-CG1 3.43Å; E422-I426 PolarHBondContact O-N 2.97Å
423	R	96.8	Very high	96	Very high	49 Å²	49	61.3 Å²	61.3	19%	0.185	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-42.7	177.2	-64.9	-171.4	-60.2	-115.4	3.2	112.4	L415 L418 T419 R420 T421 I426 Y427 L444	L415-R423 HydrophobicContact CD2-CG 4.3Å; L415-R423 PolarHBondContact O-NH1 3.44Å; L418-R423 HydrophobicContact CB-CG 3.83Å; L418-R423 HydrophobicContact CD1-CG 4.25Å; L418-R423 PolarHBondContact O-NH1 2.83Å; T419-R423 WeakPolarHBondContact O-CG 3.41Å; T419-R423 PolarHBondContact O-N 2.47Å; R420-R423 PolarHBondContact O-N 3.45Å; T421-R423 VanDerWaalsContact C-N 3.32Å; T421-R423 PolarHBondContact O-N 3.11Å; R423-I426 PolarHBondContact O-N 2.88Å; R423-Y427 PolarHBondContact O-N 3.16Å; R423-L444 HydrophobicContact CB-CD2 4.03Å; R423-L444 PolarHBondContact NE-OXT 2.63Å; R423-L444 PolarHBondContact NH2-OXT 3.34Å; R423-L444 WeakPolarHBondContact O-CD2 3.47Å
424	Q	96.5	Very high	96.1	Very high	68 Å²	68	57.3 Å²	57.3	32%	0.318	27%	0.272	S	S	.	.	H	α-helix	trans	-60.4	-45.7	174.4	-176.4	65.6	59.3	0	0	111.3	R420 T421 I426 Y427 D428	R420-Q424 WeakPolarHBondContact O-CB 3.46Å; R420-Q424 PolarHBondContact O-N 3.33Å; T421-Q424 PolarHBondContact O-N 3.13Å; Q424-I426 VanDerWaalsContact C-N 3.31Å; Q424-I426 PolarHBondContact O-N 3.11Å; Q424-Y427 CarbonylContact O-C 3.51Å; Q424-Y427 WeakPolarHBondContact O-CB 3.46Å; Q424-Y427 PolarHBondContact O-N 3.37Å; Q424-Y427 VanDerWaalsContact O-N 3.1Å; Q424-D428 PolarHBondContact NE2-OD1 2.93Å; Q424-D428 PolarHBondContact O-N 3.2Å
425	L	97.3	Very high	96.1	Very high	81 Å²	81	57.7 Å²	57.7	42%	0.424	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-35.2	179.3	-71	171.4	0	0	0	112.7	L339 T421 E422 D428 F429	L339-L425 HydrophobicContact CD1-CB 3.66Å; L339-L425 HydrophobicContact CD1-CD1 4.36Å; L339-L425 HydrophobicContact CD2-CB 4.25Å; T421-L425 HydrophobicContact CG2-CD1 4.17Å; T421-L425 HydrophobicContact CG2-CG 4.5Å; T421-L425 VanDerWaalsContact O-CG 3.31Å; T421-L425 WeakPolarHBondContact O-CG 3.28Å; T421-L425 PolarHBondContact O-N 3.1Å; E422-L425 PolarHBondContact O-N 3.01Å; L425-D428 PolarHBondContact O-N 2.93Å; L425-F429 WeakPolarHBondContact O-CB 3.34Å; L425-F429 PolarHBondContact O-N 3.43Å
426	I	97.1	Very high	96.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.6	-43.3	172.9	-60.1	160.5	0	0	0	110.4	M284 L287 I335 L339 L418 E422 R423 Q424 D428 F429 Y430	M284-I426 HydrophobicContact CE-CB 3.73Å; M284-I426 HydrophobicContact CE-CG2 3.39Å; M284-I426 HydrophobicContact SD-CB 4.36Å; M284-I426 HydrophobicContact SD-CG2 3.56Å; M284-I426 VanDerWaalsContact SD-CG2 3.56Å; L287-I426 HydrophobicContact CD2-CG2 3.6Å; I335-I426 HydrophobicContact CB-CD1 4.43Å; I335-I426 HydrophobicContact CD1-CD1 3.57Å; I335-I426 HydrophobicContact CD1-CG1 4.05Å; I335-I426 HydrophobicContact CG1-CD1 3.83Å; I335-I426 HydrophobicContact CG2-CD1 3.7Å; I335-I426 HydrophobicContact CG2-CG1 3.82Å; L339-I426 HydrophobicContact CD1-CG1 4.23Å; L418-I426 HydrophobicContact CD1-CD1 3.57Å; E422-I426 VanDerWaalsContact O-CG1 3.26Å; E422-I426 WeakPolarHBondContact O-CG1 3.43Å; E422-I426 PolarHBondContact O-N 2.97Å; R423-I426 PolarHBondContact O-N 2.88Å; Q424-I426 VanDerWaalsContact C-N 3.31Å; Q424-I426 PolarHBondContact O-N 3.11Å; I426-D428 VanDerWaalsContact C-N 3.34Å; I426-F429 WeakPolarHBondContact O-CB 3.41Å; I426-F429 PolarHBondContact O-N 3.37Å; I426-Y430 HydrophobicContact CG2-CD2 4.02Å; I426-Y430 HydrophobicContact CG2-CE2 4.11Å; I426-Y430 WeakPolarHBondContact O-CD2 3.14Å; I426-Y430 PolarHBondContact O-N 3.15Å
427	Y	97	Very high	96.2	Very high	25 Å²	25	51.6 Å²	51.6	10%	0.098	25%	0.25	C	C	.	.	H	α-helix	trans	-59.3	-47	174.6	169.5	-96.9	0	0	0	111.2	R423 Q424 F429 Y430 Y431 Y434 T441 P442 L444	R423-Y427 PolarHBondContact O-N 3.16Å; Q424-Y427 CarbonylContact O-C 3.51Å; Q424-Y427 WeakPolarHBondContact O-CB 3.46Å; Q424-Y427 PolarHBondContact O-N 3.37Å; Q424-Y427 VanDerWaalsContact O-N 3.1Å; Y427-F429 VanDerWaalsContact C-N 3.28Å; Y427-F429 PolarHBondContact O-N 3.02Å; Y427-Y430 CarbonylContact O-C 3.59Å; Y427-Y430 VanDerWaalsContact O-C 3.31Å; Y427-Y430 PolarHBondContact O-N 3.16Å; Y427-Y430 VanDerWaalsContact O-N 3.07Å; Y427-Y431 HydrophobicContact CD1-CD2 4.41Å; Y427-Y431 AromaticContact CE1-CD2 3.52Å; Y427-Y431 HydrophobicContact CE1-CD2 3.52Å; Y427-Y431 HydrophobicContact CE1-CE2 4.01Å; Y427-Y431 HydrophobicContact CE2-CD2 4.46Å; Y427-Y431 AromaticContact CZ-CD2 3.57Å; Y427-Y431 AromaticContact CZ-CE2 3.97Å; Y427-Y431 VanDerWaalsContact O-CA 3.29Å; Y427-Y431 WeakPolarHBondContact O-CA 3.27Å; Y427-Y431 PolarHBondContact O-N 3.44Å; Y427-Y431 WeakPolarHBondContact OH-CD2 3.48Å; Y427-Y431 WeakPolarHBondContact OH-CE2 3.47Å; Y427-Y434 AromaticContact CD2-CD2 3.63Å; Y427-Y434 HydrophobicContact CD2-CD2 3.63Å; Y427-Y434 AromaticContact CD2-CE2 3.82Å; Y427-Y434 HydrophobicContact CD2-CE2 3.82Å; Y427-Y434 HydrophobicContact CD2-CG 4.09Å; Y427-Y434 HydrophobicContact CE2-CD1 4.26Å; Y427-Y434 AromaticContact CE2-CD2 3.78Å; Y427-Y434 HydrophobicContact CE2-CD2 3.78Å; Y427-Y434 HydrophobicContact CE2-CE2 4.34Å; Y427-Y434 AromaticContact CE2-CG 3.76Å; Y427-Y434 HydrophobicContact CE2-CG 3.76Å; Y427-T441 HydrophobicContact CD2-CG2 4.11Å; Y427-T441 HydrophobicContact CE2-CG2 3.67Å; Y427-T441 PolarHBondContact OH-OG1 3.06Å; Y427-P442 HydrophobicContact CD2-CG 4.16Å; Y427-L444 HydrophobicContact CG-CD1 4.42Å
428	D	96.8	Very high	96.5	Very high	81 Å²	81	50.9 Å²	50.9	43%	0.433	25%	0.246	S	C	.	.	H	α-helix	trans	-59.9	-39.9	178	-63.9	-16.8	0	0	0	111.2	Q424 L425 I426 Y430 Y431	Q424-D428 PolarHBondContact NE2-OD1 2.93Å; Q424-D428 PolarHBondContact O-N 3.2Å; L425-D428 PolarHBondContact O-N 2.93Å; I426-D428 VanDerWaalsContact C-N 3.34Å; D428-Y430 VanDerWaalsContact C-N 3.28Å; D428-Y430 PolarHBondContact O-N 2.72Å; D428-Y431 VanDerWaalsContact O-CB 3.29Å; D428-Y431 WeakPolarHBondContact O-CB 3.37Å; D428-Y431 PolarHBondContact O-N 3.3Å
429	F	97.3	Very high	96.5	Very high	34 Å²	34	51.9 Å²	51.9	15%	0.149	25%	0.25	C	C	.	.	H	α-helix	trans	-59.6	-37	175.9	-179.8	-86.1	0	0	0	112.8	L338 L339 M347 K353 L425 I426 Y427	L338-F429 HydrophobicContact CD1-CE1 3.95Å; L338-F429 HydrophobicContact CD1-CE2 4.31Å; L338-F429 HydrophobicContact CD1-CZ 3.8Å; L338-F429 HydrophobicContact CD2-CD1 4.46Å; L338-F429 HydrophobicContact CG-CE1 4.41Å; L338-F429 HydrophobicContact CG-CZ 4.42Å; L339-F429 HydrophobicContact CD2-CB 3.99Å; L339-F429 HydrophobicContact CD2-CD2 4.4Å; L339-F429 HydrophobicContact CD2-CG 4.41Å; M347-F429 HydrophobicContact CE-CE2 3.89Å; M347-F429 HydrophobicContact CE-CZ 3.54Å; M347-F429 HydrophobicContact SD-CZ 4.21Å; K353-F429 WeakPolarHBondContact CD-O 3.3Å; K353-F429 HydrophobicContact CG-CE1 4.31Å; K353-F429 PolarHBondContact NZ-O 3.14Å; L425-F429 WeakPolarHBondContact O-CB 3.34Å; L425-F429 PolarHBondContact O-N 3.43Å; I426-F429 WeakPolarHBondContact O-CB 3.41Å; I426-F429 PolarHBondContact O-N 3.37Å; Y427-F429 VanDerWaalsContact C-N 3.28Å; Y427-F429 PolarHBondContact O-N 3.02Å
430	Y	97.5	Very high	96.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	8.7	178.3	-68.4	-66	0	0	0	114.1	P283 L287 L338 W351 K353 I426 Y427 D428 L432 D433 Y434	P283-Y430 HydrophobicContact CB-CD1 4.24Å; P283-Y430 HydrophobicContact CB-CD2 4.25Å; P283-Y430 HydrophobicContact CB-CG 3.81Å; L287-Y430 HydrophobicContact CB-CE2 4.32Å; L287-Y430 HydrophobicContact CD1-CE2 4.36Å; L287-Y430 HydrophobicContact CD2-CE2 4.09Å; L287-Y430 HydrophobicContact CG-CE2 4.49Å; L338-Y430 HydrophobicContact CD2-CE2 4.16Å; W351-Y430 WeakPolarHBondContact O-CE1 3.45Å; W351-Y430 PolarHBondContact O-OH 3.12Å; K353-Y430 HydrophobicContact CG-CD1 3.86Å; K353-Y430 HydrophobicContact CG-CE1 4.2Å; I426-Y430 HydrophobicContact CG2-CD2 4.02Å; I426-Y430 HydrophobicContact CG2-CE2 4.11Å; I426-Y430 WeakPolarHBondContact O-CD2 3.14Å; I426-Y430 PolarHBondContact O-N 3.15Å; Y427-Y430 CarbonylContact O-C 3.59Å; Y427-Y430 VanDerWaalsContact O-C 3.31Å; Y427-Y430 PolarHBondContact O-N 3.16Å; Y427-Y430 VanDerWaalsContact O-N 3.07Å; D428-Y430 VanDerWaalsContact C-N 3.28Å; D428-Y430 PolarHBondContact O-N 2.72Å; Y430-L432 PolarHBondContact O-N 3.31Å; Y430-L432 VanDerWaalsContact O-N 3.11Å; Y430-D433 WeakPolarHBondContact O-CB 3.45Å; Y430-D433 PolarHBondContact O-N 3.49Å; Y430-Y434 PolarHBondContact O-N 3.26Å; Y430-Y434 VanDerWaalsContact O-N 3.14Å
431	Y	96.1	Very high	95.7	Very high	98 Å²	98	48.9 Å²	48.9	38%	0.384	25%	0.252	S	S	.	.	H	α-helix	trans	-53.3	-42.5	-168.9	175.8	-114.4	0	0	0	113	Y427 D428 D433 Y434 L435	Y427-Y431 HydrophobicContact CD1-CD2 4.41Å; Y427-Y431 AromaticContact CE1-CD2 3.52Å; Y427-Y431 HydrophobicContact CE1-CD2 3.52Å; Y427-Y431 HydrophobicContact CE1-CE2 4.01Å; Y427-Y431 HydrophobicContact CE2-CD2 4.46Å; Y427-Y431 AromaticContact CZ-CD2 3.57Å; Y427-Y431 AromaticContact CZ-CE2 3.97Å; Y427-Y431 VanDerWaalsContact O-CA 3.29Å; Y427-Y431 WeakPolarHBondContact O-CA 3.27Å; Y427-Y431 PolarHBondContact O-N 3.44Å; Y427-Y431 WeakPolarHBondContact OH-CD2 3.48Å; Y427-Y431 WeakPolarHBondContact OH-CE2 3.47Å; D428-Y431 VanDerWaalsContact O-CB 3.29Å; D428-Y431 WeakPolarHBondContact O-CB 3.37Å; D428-Y431 PolarHBondContact O-N 3.3Å; Y431-D433 VanDerWaalsContact C-N 3.31Å; Y431-D433 PolarHBondContact O-N 3.28Å; Y431-Y434 WeakPolarHBondContact O-CB 3.43Å; Y431-Y434 PolarHBondContact O-N 2.92Å; Y431-L435 HydrophobicContact CD1-CD1 4.01Å; Y431-L435 HydrophobicContact CD1-CG 4.5Å; Y431-L435 HydrophobicContact CD2-CG 4.34Å; Y431-L435 HydrophobicContact CE1-CD1 3.34Å; Y431-L435 HydrophobicContact CE1-CG 4.1Å; Y431-L435 HydrophobicContact CE2-CD1 4.02Å; Y431-L435 HydrophobicContact CE2-CD2 4.09Å; Y431-L435 HydrophobicContact CE2-CG 3.93Å; Y431-L435 PolarHBondContact O-N 3.37Å
432	L	94.4	Very high	94.9	Very high	73 Å²	73	45.4 Å²	45.4	38%	0.382	23%	0.232	S	C	.	.	H	α-helix	trans	-62.4	-38.2	179.8	-166.5	69.3	0	0	0	112.3	F186 Y430 M436	F186-L432 HydrophobicContact CE1-CD1 4.39Å; F186-L432 HydrophobicContact CZ-CD1 3.68Å; F186-L432 HydrophobicContact CZ-CG 4.39Å; Y430-L432 PolarHBondContact O-N 3.31Å; Y430-L432 VanDerWaalsContact O-N 3.11Å; L432-M436 HydrophobicContact CD2-CE 4.41Å; L432-M436 HydrophobicContact CG-CE 4.3Å; L432-M436 WeakPolarHBondContact O-CB 3.47Å; L432-M436 PolarHBondContact O-N 3.25Å
433	D	96.9	Very high	93.7	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.011	27%	0.268	C	S	.	.	H	α-helix	trans	-71.6	-37.7	178.2	-68.1	-6.6	0	0	0	111.1	P283 K353 V354 S355 Y430 Y431 M436 F437	P283-D433 HydrophobicContact CG-CB 4.08Å; K353-D433 WeakPolarHBondContact CA-OD2 3.26Å; K353-D433 WeakPolarHBondContact CB-OD2 3.47Å; V354-D433 PolarHBondContact N-OD1 3.4Å; V354-D433 PolarHBondContact N-OD2 3.47Å; S355-D433 WeakPolarHBondContact CB-OD1 3.48Å; S355-D433 PolarHBondContact N-OD1 3.35Å; S355-D433 PolarHBondContact OG-OD1 3.4Å; Y430-D433 WeakPolarHBondContact O-CB 3.45Å; Y430-D433 PolarHBondContact O-N 3.49Å; Y431-D433 VanDerWaalsContact C-N 3.31Å; Y431-D433 PolarHBondContact O-N 3.28Å; D433-M436 PolarHBondContact O-N 3.31Å; D433-F437 WeakPolarHBondContact O-CD2 3.42Å; D433-F437 PolarHBondContact O-N 3.48Å; D433-F437 VanDerWaalsContact O-N 3.15Å
434	Y	97.3	Very high	92.3	Very high	2 Å²	2	54 Å²	54	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-56.9	-51.4	173	-90.8	-74.3	0	0	0	111.2	D282 P283 M284 Y427 Y430 Y431 N438 Y439 T440	D282-Y434 PolarHBondContact OD1-OH 3.12Å; D282-Y434 WeakPolarHBondContact OD2-CE1 3.44Å; D282-Y434 PolarHBondContact OD2-OH 3.11Å; D282-Y434 VanDerWaalsContact OD2-OH 3.13Å; P283-Y434 HydrophobicContact CB-CD2 4.1Å; P283-Y434 HydrophobicContact CB-CE2 3.53Å; P283-Y434 HydrophobicContact CG-CD1 4.39Å; P283-Y434 HydrophobicContact CG-CD2 3.73Å; P283-Y434 HydrophobicContact CG-CE1 4.2Å; P283-Y434 HydrophobicContact CG-CE2 3.56Å; P283-Y434 HydrophobicContact CG-CG 4.12Å; M284-Y434 WeakPolarHBondContact CG-OH 3.45Å; M284-Y434 PolarHBondContact N-OH 3.02Å; Y427-Y434 AromaticContact CD2-CD2 3.63Å; Y427-Y434 HydrophobicContact CD2-CD2 3.63Å; Y427-Y434 AromaticContact CD2-CE2 3.82Å; Y427-Y434 HydrophobicContact CD2-CE2 3.82Å; Y427-Y434 HydrophobicContact CD2-CG 4.09Å; Y427-Y434 HydrophobicContact CE2-CD1 4.26Å; Y427-Y434 AromaticContact CE2-CD2 3.78Å; Y427-Y434 HydrophobicContact CE2-CD2 3.78Å; Y427-Y434 HydrophobicContact CE2-CE2 4.34Å; Y427-Y434 AromaticContact CE2-CG 3.76Å; Y427-Y434 HydrophobicContact CE2-CG 3.76Å; Y430-Y434 PolarHBondContact O-N 3.26Å; Y430-Y434 VanDerWaalsContact O-N 3.14Å; Y431-Y434 WeakPolarHBondContact O-CB 3.43Å; Y431-Y434 PolarHBondContact O-N 2.92Å; Y434-N438 PolarHBondContact O-N 3.38Å; Y434-Y439 PolarHBondContact O-N 3.28Å; Y434-T440 WeakPolarHBondContact CE1-O 3.39Å
435	L	95.9	Very high	92.1	Very high	51 Å²	51	53.3 Å²	53.3	27%	0.267	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-49.2	178.1	-68	-175.3	0	0	0	112.2	F182 F186 Y431 F437 N438	F182-L435 WeakPolarHBondContact CE1-O 3.5Å; F182-L435 WeakPolarHBondContact CZ-O 3.37Å; F186-L435 HydrophobicContact CD2-CB 4.42Å; F186-L435 HydrophobicContact CE2-CB 3.65Å; F186-L435 HydrophobicContact CE2-CD1 4.48Å; F186-L435 HydrophobicContact CZ-CB 4.41Å; Y431-L435 HydrophobicContact CD1-CD1 4.01Å; Y431-L435 HydrophobicContact CD1-CG 4.5Å; Y431-L435 HydrophobicContact CD2-CG 4.34Å; Y431-L435 HydrophobicContact CE1-CD1 3.34Å; Y431-L435 HydrophobicContact CE1-CG 4.1Å; Y431-L435 HydrophobicContact CE2-CD1 4.02Å; Y431-L435 HydrophobicContact CE2-CD2 4.09Å; Y431-L435 HydrophobicContact CE2-CG 3.93Å; Y431-L435 PolarHBondContact O-N 3.37Å; L435-F437 VanDerWaalsContact C-N 3.28Å; L435-F437 PolarHBondContact O-N 2.8Å; L435-N438 PolarHBondContact O-N 3.27Å
436	M	95.6	Very high	91.8	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.03	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-35.3	-172.4	-180	-179.3	-70.3	0	0	113	F182 L183 F186 P360 L432 D433	F182-M436 WeakPolarHBondContact CE1-O 3.43Å; L183-M436 HydrophobicContact CD1-CG 3.42Å; L183-M436 VanDerWaalsContact CD1-CG 3.42Å; L183-M436 HydrophobicContact CD1-SD 4.21Å; F186-M436 HydrophobicContact CD1-CB 3.98Å; F186-M436 HydrophobicContact CD1-CE 4.21Å; F186-M436 HydrophobicContact CD1-CG 3.81Å; F186-M436 HydrophobicContact CD2-CB 4.49Å; F186-M436 HydrophobicContact CE1-CB 3.72Å; F186-M436 HydrophobicContact CE1-CE 3.53Å; F186-M436 HydrophobicContact CE1-CG 3.84Å; F186-M436 HydrophobicContact CE2-CB 4.25Å; F186-M436 HydrophobicContact CG-CB 4.38Å; F186-M436 HydrophobicContact CG-CG 4.47Å; F186-M436 HydrophobicContact CZ-CB 3.85Å; F186-M436 HydrophobicContact CZ-CE 4.32Å; F186-M436 HydrophobicContact CZ-CG 4.48Å; P360-M436 HydrophobicContact CB-SD 3.81Å; P360-M436 HydrophobicContact CG-SD 3.58Å; P360-M436 VanDerWaalsContact CG-SD 3.58Å; L432-M436 HydrophobicContact CD2-CE 4.41Å; L432-M436 HydrophobicContact CG-CE 4.3Å; L432-M436 WeakPolarHBondContact O-CB 3.47Å; L432-M436 PolarHBondContact O-N 3.25Å; D433-M436 PolarHBondContact O-N 3.31Å
437	F	97.1	Very high	91.5	Very high	11 Å²	11	54.7 Å²	54.7	5%	0.048	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	14	-177.9	-63.3	-69.8	0	0	0	113.6	L183 V280 V354 P360 V368 K370 D433 L435 Y439	L183-F437 HydrophobicContact CD1-CE1 4.35Å; L183-F437 HydrophobicContact CD2-CE1 4.44Å; V280-F437 HydrophobicContact CB-CD1 4.47Å; V280-F437 HydrophobicContact CB-CG 4.43Å; V280-F437 HydrophobicContact CG1-CD1 4Å; V280-F437 HydrophobicContact CG1-CD2 4.23Å; V280-F437 HydrophobicContact CG1-CE1 3.67Å; V280-F437 HydrophobicContact CG1-CE2 3.93Å; V280-F437 HydrophobicContact CG1-CG 4.26Å; V280-F437 HydrophobicContact CG1-CZ 3.63Å; V280-F437 HydrophobicContact CG2-CB 4.24Å; V280-F437 HydrophobicContact CG2-CD1 3.91Å; V280-F437 HydrophobicContact CG2-CE1 4.41Å; V280-F437 HydrophobicContact CG2-CG 3.97Å; V354-F437 HydrophobicContact CB-CE2 3.91Å; V354-F437 HydrophobicContact CG1-CE2 3.57Å; V354-F437 HydrophobicContact CG1-CZ 3.73Å; P360-F437 HydrophobicContact CB-CZ 4.46Å; P360-F437 HydrophobicContact CG-CZ 3.8Å; V368-F437 HydrophobicContact CG1-CD1 3.89Å; V368-F437 HydrophobicContact CG1-CE1 4.06Å; K370-F437 VanDerWaalsContact CE-O 3.28Å; K370-F437 WeakPolarHBondContact CE-O 3.43Å; K370-F437 PolarHBondContact NZ-O 2.74Å; D433-F437 WeakPolarHBondContact O-CD2 3.42Å; D433-F437 PolarHBondContact O-N 3.48Å; D433-F437 VanDerWaalsContact O-N 3.15Å; L435-F437 VanDerWaalsContact C-N 3.28Å; L435-F437 PolarHBondContact O-N 2.8Å; F437-Y439 VanDerWaalsContact C-N 3.31Å; F437-Y439 HydrophobicContact CB-CD2 3.7Å; F437-Y439 HydrophobicContact CB-CE2 3.71Å; F437-Y439 PolarHBondContact O-N 2.78Å
438	N	96.6	Very high	91.2	Very high	105 Å²	105	56.4 Å²	56.4	56%	0.561	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	51.8	179.6	-161.7	27.5	0	0	0	111.9	F182 K370 Y434 L435	F182-N438 HydrophobicContact CD1-CB 3.95Å; F182-N438 HydrophobicContact CD2-CB 4.25Å; F182-N438 HydrophobicContact CE1-CB 3.65Å; F182-N438 HydrophobicContact CE2-CB 3.93Å; F182-N438 HydrophobicContact CG-CB 4.25Å; F182-N438 HydrophobicContact CZ-CB 3.63Å; K370-N438 PolarHBondContact NZ-O 3.39Å; Y434-N438 PolarHBondContact O-N 3.38Å; L435-N438 PolarHBondContact O-N 3.27Å
439	Y	96.8	Very high	90.9	Very high	27 Å²	27	54.9 Å²	54.9	11%	0.106	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-88.3	141.5	170.7	-80.9	-71.6	0	0	0	109.6	V280 R281 D282 K370 E372 Y434 F437	V280-Y439 HydrophobicContact CG2-CE2 4.01Å; R281-Y439 VanDerWaalsContact C-CZ 3.47Å; R281-Y439 VanDerWaalsContact CA-OH 3.26Å; R281-Y439 WeakPolarHBondContact CA-OH 3.33Å; R281-Y439 PolarHBondContact N-OH 3.37Å; D282-Y439 HydrophobicContact CB-CD1 4.14Å; D282-Y439 HydrophobicContact CB-CE1 3.99Å; D282-Y439 VanDerWaalsContact N-CZ 3.29Å; D282-Y439 PolarHBondContact N-OH 3.18Å; K370-Y439 HydrophobicContact CD-CE1 3.94Å; E372-Y439 WeakPolarHBondContact OE2-CE1 3.39Å; E372-Y439 PolarHBondContact OE2-OH 3.46Å; Y434-Y439 PolarHBondContact O-N 3.28Å; F437-Y439 VanDerWaalsContact C-N 3.31Å; F437-Y439 HydrophobicContact CB-CD2 3.7Å; F437-Y439 HydrophobicContact CB-CE2 3.71Å; F437-Y439 PolarHBondContact O-N 2.78Å
440	T	91.9	Very high	90.4	Very high	127 Å²	127	56.3 Å²	56.3	78%	0.779	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-65.2	137.5	172.9	-45.9	0	0	0	0	109.5	Y434	Y434-T440 WeakPolarHBondContact CE1-O 3.39Å
441	T	82.8	Confident	89.9	Confident	69 Å²	69	60.3 Å²	60.3	42%	0.423	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-53.8	131.4	171.2	-56	0	0	0	0	109.4	Y427 L444	Y427-T441 HydrophobicContact CD2-CG2 4.11Å; Y427-T441 HydrophobicContact CE2-CG2 3.67Å; Y427-T441 PolarHBondContact OH-OG1 3.06Å; T441-L444 HydrophobicContact CG2-CD1 4.26Å
442	P	78.6	Confident	89.5	Confident	25 Å²	25	57.4 Å²	57.4	16%	0.162	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-65.3	158.2	178.8	28.2	-33.3	0	0	0	109.9	M284 Y427 L444	M284-P442 HydrophobicContact CE-CG 4.04Å; M284-P442 HydrophobicContact CG-CB 4.25Å; M284-P442 HydrophobicContact CG-CG 4.11Å; Y427-P442 HydrophobicContact CD2-CG 4.16Å; P442-L444 HydrophobicContact CG-CD2 3.91Å; P442-L444 HydrophobicContact CG-CG 4.47Å; P442-L444 WeakPolarHBondContact O-CG 3.36Å; P442-L444 PolarHBondContact O-N 2.79Å; P442-L444 VanDerWaalsContact O-N 3.12Å
443	F	70.9	Confident	89	Confident	195 Å²	195	56.1 Å²	56.1	86%	0.855	29%	0.294	S	S	*	.			trans	-68.2	111.4	168.8	-67.5	-81.5	0	0	0	108.6
444	L	68.4	Low	88.3	Confident	53 Å²	53	61 Å²	61	28%	0.277	32%	0.32	S	S	.	.			trans	-93.8	0	-172.9	-66.2	176.7	0	0	0	114.3	R423 Y427 T441 P442	R423-L444 HydrophobicContact CB-CD2 4.03Å; R423-L444 PolarHBondContact NE-OXT 2.63Å; R423-L444 PolarHBondContact NH2-OXT 3.34Å; R423-L444 WeakPolarHBondContact O-CD2 3.47Å; Y427-L444 HydrophobicContact CG-CD1 4.42Å; T441-L444 HydrophobicContact CG2-CD1 4.26Å; P442-L444 HydrophobicContact CG-CD2 3.91Å; P442-L444 HydrophobicContact CG-CG 4.47Å; P442-L444 WeakPolarHBondContact O-CG 3.36Å; P442-L444 PolarHBondContact O-N 2.79Å; P442-L444 VanDerWaalsContact O-N 3.12Å

Retrieved 444 of 444 residues in 945.3 ms (Link to these results)

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