A0A096MXM4_PAPAN Loading...

Transporter

AlphaFold DB , UniProt , Accession A0A096MXM4, Species PAPAN (Papio anubis, Olive baboon), Gene SLC6A14, Length 642 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	32.5	Very low	27.4	Very low	242 Å²	242	171.8 Å²	171.8	100%	1.192	87%	0.868	S	S	*	*				0	140.7	0	-84	165.2	82.1	0	0	108.4
2	D	29.2	Very low	27.4	Very low	130 Å²	130	168.5 Å²	168.5	70%	0.695	87%	0.87	S	S	*	*			trans	-63.1	147.5	-152.1	-74.9	-83.4	0	0	0	119.2
3	K	29.5	Very low	27.4	Very low	179 Å²	179	174.7 Å²	174.7	78%	0.778	88%	0.876	S	S	*	*			trans	48.5	121.2	131.4	-61.4	170.1	-175.3	166.9	0	118.9
4	L	27	Very low	27.4	Very low	180 Å²	180	167.2 Å²	167.2	94%	0.942	87%	0.865	S	S	*	*				-149	112.9	118.4	-103.5	141.5	0	0	0	110.2
5	K	30.4	Very low	27.4	Very low	200 Å²	200	170.5 Å²	170.5	87%	0.87	87%	0.87	S	S	*	*			trans	-97.3	133.9	170.1	-103.6	-178.5	175.4	178.9	0	108.1
6	C	23.6	Very low	27.3	Very low	129 Å²	129	170.7 Å²	170.7	87%	0.872	87%	0.866	S	S	*	*			trans	166.8	140.4	138.7	-110.2	0	0	0	0	108.8
7	S	26.2	Very low	27.2	Very low	108 Å²	108	172.6 Å²	172.6	76%	0.755	87%	0.867	S	S	*	*			cis	-155.9	146.7	-7.2	61.2	0	0	0	0	107.2
8	S	28.2	Very low	27	Very low	111 Å²	111	170 Å²	170	78%	0.776	86%	0.861	S	S	*	*			trans	-83.4	116.7	-177.3	54.6	0	0	0	0	111.4
9	F	24.7	Very low	27	Very low	198 Å²	198	166.3 Å²	166.3	87%	0.868	85%	0.852	S	S	*	*			trans	-140.9	44.9	163.3	-121.7	-84.4	0	0	0	111.9
10	F	24.1	Very low	27.1	Very low	205 Å²	205	162.6 Å²	162.6	90%	0.899	85%	0.848	S	S	*	*			trans	-139.5	93.2	164.3	-96.5	-85.5	0	0	0	108.8
11	K	25.8	Very low	27.3	Very low	208 Å²	208	158.9 Å²	158.9	90%	0.904	84%	0.836	S	S	*	*			trans	-92.8	107.8	164.7	-142.9	174.9	-172.5	178.7	0	106.6	R13	K11-R13 PolarHBondContact O-N 3.41Å
12	C	27.8	Very low	27.6	Very low	132 Å²	132	152.4 Å²	152.4	89%	0.892	81%	0.814	S	S	*	*			trans	-51	120.5	172.1	-70.5	0	0	0	0	110.5
13	R	27.7	Very low	28.3	Very low	249 Å²	249	152.4 Å²	152.4	94%	0.94	81%	0.81	S	S	*	*			trans	-116	115.7	164.1	-156.1	176.9	-169.4	-178.5	1.7	107.1	K11	K11-R13 PolarHBondContact O-N 3.41Å
14	G	27	Very low	29.5	Very low	70 Å²	70	146.3 Å²	146.3	72%	0.722	79%	0.786	S	S	*	*			trans	51.3	109.9	159.3	0	0	0	0	0	117.7	E16	G14-E16 PolarHBondContact O-N 3.16Å
15	K	27.9	Very low	30.8	Very low	217 Å²	217	143.9 Å²	143.9	94%	0.943	77%	0.768	S	S	*	*			trans	-63.1	85.9	156.1	-77.9	179.3	175.6	176.1	0	108.9	K17	K15-K17 PolarHBondContact O-N 3.06Å
16	E	24.9	Very low	32	Very low	173 Å²	173	135.2 Å²	135.2	81%	0.808	73%	0.731	S	S	*	*			trans	-69.5	116.1	148.5	-85.3	-179.7	165.8	0	0	106.4	G14 V18	G14-E16 PolarHBondContact O-N 3.16Å; E16-V18 PolarHBondContact O-N 3.26Å
17	K	25.3	Very low	33.8	Very low	204 Å²	204	130.4 Å²	130.4	89%	0.887	70%	0.697	S	S	*	*			trans	-60.6	94.1	161.4	-81.4	178.8	175.4	178.2	0	106.3	K15 S19	K15-K17 PolarHBondContact O-N 3.06Å; K17-S19 PolarHBondContact O-N 2.96Å
18	V	24.8	Very low	35.8	Very low	125 Å²	125	126.5 Å²	126.5	76%	0.758	67%	0.674	S	S	*	*			trans	-66.9	89.8	157.7	-179.4	0	0	0	0	105.1	E16 A20	E16-V18 PolarHBondContact O-N 3.26Å; V18-A20 VanDerWaalsContact C-N 3.29Å; V18-A20 PolarHBondContact O-N 3Å
19	S	25.7	Very low	37.3	Very low	99 Å²	99	130.2 Å²	130.2	69%	0.692	68%	0.679	S	S	*	*			trans	-60	105.1	154.9	57.4	0	0	0	0	105.1	K17 S21	K17-S19 PolarHBondContact O-N 2.96Å; S19-S21 PolarHBondContact O-N 3.15Å
20	A	29.9	Very low	39.8	Very low	92 Å²	92	127.7 Å²	127.7	76%	0.76	68%	0.675	S	S	*	*			trans	-60.7	94.4	161.7	0	0	0	0	0	106	V18 S22	V18-A20 VanDerWaalsContact C-N 3.29Å; V18-A20 PolarHBondContact O-N 3Å; A20-S22 PolarHBondContact O-N 2.81Å; A20-S22 VanDerWaalsContact O-N 3.15Å
21	S	31.6	Very low	42.6	Very low	85 Å²	85	118.7 Å²	118.7	59%	0.594	64%	0.636	S	S	*	*			trans	-55.2	118.7	161.6	39.1	0	0	0	0	105.3	S19 E23	S19-S21 PolarHBondContact O-N 3.15Å; S21-E23 PolarHBondContact O-N 2.93Å
22	S	38.1	Very low	45.5	Very low	106 Å²	106	112.1 Å²	112.1	74%	0.741	61%	0.608	S	S	*	*			trans	-70.6	77.2	165.5	38.7	0	0	0	0	106.9	A20 N24	A20-S22 PolarHBondContact O-N 2.81Å; A20-S22 VanDerWaalsContact O-N 3.15Å; S22-N24 PolarHBondContact O-N 3.36Å
23	E	45.3	Very low	48.2	Very low	131 Å²	131	106 Å²	106	61%	0.612	57%	0.567	S	S	*	*			trans	-61.5	108.2	170.6	-77.2	-175	178.2	0	0	107.6	S21 F25	S21-E23 PolarHBondContact O-N 2.93Å; E23-F25 VanDerWaalsContact C-N 3.32Å; E23-F25 VanDerWaalsContact O-CD2 3.27Å; E23-F25 WeakPolarHBondContact O-CD2 3.5Å; E23-F25 PolarHBondContact O-N 2.95Å
24	N	52.8	Low	50.7	Low	50 Å²	50	98.7 Å²	98.7	27%	0.267	54%	0.543	S	S	.	.			trans	-71.1	92.8	173	-69.3	-52.3	0	0	0	107.9	S22 H26 V27 K444	S22-N24 PolarHBondContact O-N 3.36Å; N24-H26 PolarHBondContact O-N 3.38Å; N24-V27 HydrophobicContact CB-CB 4.34Å; N24-V27 HydrophobicContact CB-CG2 4.23Å; N24-V27 PolarHBondContact O-N 3.29Å; N24-K444 WeakPolarHBondContact ND2-CE 3.4Å; N24-K444 WeakPolarHBondContact OD1-CG 3.4Å; N24-K444 PolarHBondContact OD1-O 3.08Å
25	F	55.1	Low	53.1	Low	129 Å²	129	99.6 Å²	99.6	57%	0.566	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-6	-179.4	-64.7	-76.8	0	0	0	115.6	E23 K256	E23-F25 VanDerWaalsContact C-N 3.32Å; E23-F25 VanDerWaalsContact O-CD2 3.27Å; E23-F25 WeakPolarHBondContact O-CD2 3.5Å; E23-F25 PolarHBondContact O-N 2.95Å; F25-K256 HydrophobicContact CB-CD 4.47Å; F25-K256 HydrophobicContact CB-CG 4.43Å
26	H	56.6	Low	55.7	Low	19 Å²	19	89.8 Å²	89.8	9%	0.088	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-11.2	-176.6	-60.3	-75.2	0	0	0	114.2	N24 F255 K256 K259 R447	N24-H26 PolarHBondContact O-N 3.38Å; H26-F255 PolarHBondContact CE1-O 3.38Å; H26-K256 WeakPolarHBondContact CE1-CA 3.41Å; H26-K256 WeakPolarHBondContact ND1-CA 3.45Å; H26-K256 PolarHBondContact ND1-O 3.46Å; H26-K259 WeakPolarHBondContact O-CE 3.49Å; H26-K259 WeakPolarHBondContact O-CG 3.27Å; H26-R447 WeakPolarHBondContact CE1-CD 3.32Å; H26-R447 VanDerWaalsContact CE1-CG 3.44Å; H26-R447 WeakPolarHBondContact CE1-CG 3.14Å; H26-R447 WeakPolarHBondContact ND1-CD 3.41Å; H26-R447 WeakPolarHBondContact NE2-CB 3.14Å; H26-R447 WeakPolarHBondContact NE2-CD 3.42Å; H26-R447 WeakPolarHBondContact NE2-CG 3.44Å
27	V	60.8	Low	58.8	Low	28 Å²	28	81.6 Å²	81.6	17%	0.17	45%	0.45	C	S	.	.			trans	-118.5	124.4	-175	-176.3	0	0	0	0	107.9	N24 D31 Q34	N24-V27 HydrophobicContact CB-CB 4.34Å; N24-V27 HydrophobicContact CB-CG2 4.23Å; N24-V27 PolarHBondContact O-N 3.29Å; V27-D31 HydrophobicContact CG1-CB 4.21Å; V27-Q34 HydrophobicContact CG1-CB 4.4Å; V27-Q34 WeakPolarHBondContact CG2-O 3.45Å
28	G	67.1	Low	62	Low	25 Å²	25	72.1 Å²	72.1	26%	0.258	41%	0.409	S	S	.	.			trans	-84.3	151.8	173.1	0	0	0	0	0	111.2	N30 D31 Q34	G28-N30 PolarHBondContact O-N 2.84Å; G28-D31 PolarHBondContact N-OD2 3.5Å; G28-D31 WeakPolarHBondContact O-CB 3.38Å; G28-D31 PolarHBondContact O-N 3.27Å; G28-Q34 PolarHBondContact O-NE2 3.44Å
29	E	60.8	Low	65.4	Low	190 Å²	190	66.9 Å²	66.9	89%	0.888	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.7	174.4	-68	-178	159	0	0	112.9
30	N	76.1	Confident	68.5	Low	145 Å²	145	65 Å²	65	78%	0.775	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	9.9	-179.2	-64.2	-38.8	0	0	0	114.5	G28	G28-N30 PolarHBondContact O-N 2.84Å
31	D	84.5	Confident	71.6	Confident	15 Å²	15	66.7 Å²	66.7	8%	0.08	35%	0.353	C	S	.	.			trans	-78.2	134.1	178.7	-70.2	-10.6	0	0	0	110.7	V27 G28 N33 Q34 G37 N38 K259	V27-D31 HydrophobicContact CG1-CB 4.21Å; G28-D31 PolarHBondContact N-OD2 3.5Å; G28-D31 WeakPolarHBondContact O-CB 3.38Å; G28-D31 PolarHBondContact O-N 3.27Å; D31-N33 VanDerWaalsContact C-N 3.32Å; D31-Q34 PolarHBondContact O-NE2 3.38Å; D31-G37 WeakPolarHBondContact OD2-CA 3.38Å; D31-N38 HydrophobicContact CB-CB 4.32Å; D31-N38 VanDerWaalsContact CG-N 3.35Å; D31-N38 PolarHBondContact OD2-N 2.89Å; D31-N38 VanDerWaalsContact OD2-N 3.13Å; D31-K259 VanDerWaalsContact CG-NZ 3.26Å; D31-K259 IonicContact OD1-NZ 2.72Å; D31-K259 PolarHBondContact OD1-NZ 2.99Å; D31-K259 WeakPolarHBondContact OD2-CE 3.25Å; D31-K259 IonicContact OD2-NZ 3.67Å; D31-K259 PolarHBondContact OD2-NZ 3.21Å
32	E	86.1	Confident	74.5	Confident	71 Å²	71	67 Å²	67	33%	0.332	34%	0.344	S	S	.	.	S	Bend	trans	-69.3	-33.8	176.1	-68.2	170.2	-167.2	0	0	110.9	N38 K338 L610	E32-N38 PolarHBondContact N-OD1 2.68Å; E32-K338 VanDerWaalsContact OE1-CD 3.27Å; E32-K338 WeakPolarHBondContact OE1-CD 3.37Å; E32-K338 WeakPolarHBondContact OE1-CG 2.92Å; E32-K338 IonicContact OE1-NZ 2.74Å; E32-L610 HydrophobicContact CB-CD1 4.1Å; E32-L610 WeakPolarHBondContact O-CD1 3.29Å
33	N	83.8	Confident	77.3	Confident	3 Å²	3	64 Å²	64	2%	0.016	32%	0.323	C	S	.	.			trans	-108.7	100.5	176.6	-170.7	-26.6	0	0	0	110.7	D31 D35 R36 G37 N38 Y609 L610	D31-N33 VanDerWaalsContact C-N 3.32Å; N33-D35 VanDerWaalsContact C-N 3.28Å; N33-D35 PolarHBondContact O-N 3.48Å; N33-D35 PolarHBondContact OD1-N 2.85Å; N33-D35 VanDerWaalsContact OD1-N 3.13Å; N33-R36 HydrophobicContact CB-CB 4.22Å; N33-R36 VanDerWaalsContact CG-CB 3.46Å; N33-R36 WeakPolarHBondContact ND2-CB 3.35Å; N33-R36 PolarHBondContact OD1-N 3.33Å; N33-G37 VanDerWaalsContact O-CA 3.27Å; N33-G37 WeakPolarHBondContact O-CA 3.26Å; N33-G37 PolarHBondContact O-N 3.33Å; N33-N38 PolarHBondContact N-OD1 2.88Å; N33-N38 VanDerWaalsContact N-OD1 3.09Å; N33-Y609 WeakPolarHBondContact ND2-CD1 3.03Å; N33-Y609 WeakPolarHBondContact ND2-CE1 3.28Å; N33-L610 HydrophobicContact CB-CD1 4.43Å; N33-L610 HydrophobicContact CB-CD2 4.43Å
34	Q	80	Confident	79.7	Confident	96 Å²	96	57.8 Å²	57.8	45%	0.449	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.2	-177	-68	-69.7	-39.4	0	0	114.4	V27 G28 D31	V27-Q34 HydrophobicContact CG1-CB 4.4Å; V27-Q34 WeakPolarHBondContact CG2-O 3.45Å; G28-Q34 PolarHBondContact O-NE2 3.44Å; D31-Q34 PolarHBondContact O-NE2 3.38Å
35	D	77.5	Confident	81.8	Confident	89 Å²	89	55.5 Å²	55.5	48%	0.476	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-31.5	175.5	-71.3	-37.8	0	0	0	112.4	N33 K444	N33-D35 VanDerWaalsContact C-N 3.28Å; N33-D35 PolarHBondContact O-N 3.48Å; N33-D35 PolarHBondContact OD1-N 2.85Å; N33-D35 VanDerWaalsContact OD1-N 3.13Å; D35-K444 IonicContact OD1-NZ 2.77Å; D35-K444 PolarHBondContact OD1-NZ 3.08Å; D35-K444 VanDerWaalsContact OD1-NZ 3.12Å
36	R	83.3	Confident	83.9	Confident	11 Å²	11	51.3 Å²	51.3	4%	0.042	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-36.9	-178.5	-165.8	-174.9	-164.5	83.3	6.4	113.4	N33 S101 S335 Y336 Q436 D437	N33-R36 HydrophobicContact CB-CB 4.22Å; N33-R36 VanDerWaalsContact CG-CB 3.46Å; N33-R36 WeakPolarHBondContact ND2-CB 3.35Å; N33-R36 PolarHBondContact OD1-N 3.33Å; R36-S101 PolarHBondContact NE-O 3.1Å; R36-S101 PolarHBondContact NH1-O 3.41Å; R36-S335 WeakPolarHBondContact CD-O 3.28Å; R36-S335 PolarHBondContact NE-O 3.32Å; R36-S335 PolarHBondContact NE-OG 3.31Å; R36-S335 PolarHBondContact NH2-OG 3.14Å; R36-Y336 HydrophobicContact CG-CD1 3.74Å; R36-Y336 HydrophobicContact CG-CE1 3.5Å; R36-Y336 WeakPolarHBondContact O-CE1 3.46Å; R36-Q436 PolarHBondContact O-NE2 3.22Å; R36-D437 IonicContact CZ-OD1 3.49Å; R36-D437 IonicContact NH1-OD1 2.63Å; R36-D437 PolarHBondContact NH1-OD1 3.44Å; R36-D437 IonicContact NH2-OD1 3.4Å; R36-D437 PolarHBondContact NH2-OD1 3.32Å
37	G	89	Confident	85.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.			trans	81.5	164.9	-163	0	0	0	0	0	112.5	D31 N33	D31-G37 WeakPolarHBondContact OD2-CA 3.38Å; N33-G37 VanDerWaalsContact O-CA 3.27Å; N33-G37 WeakPolarHBondContact O-CA 3.26Å; N33-G37 PolarHBondContact O-N 3.33Å
38	N	93.9	Very high	87.6	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.027	26%	0.263	C	S	.	.			trans	-124.8	166.2	171.7	-70.4	112.1	0	0	0	111.7	D31 E32 N33 S40 K259 Y336 N337	D31-N38 HydrophobicContact CB-CB 4.32Å; D31-N38 VanDerWaalsContact CG-N 3.35Å; D31-N38 PolarHBondContact OD2-N 2.89Å; D31-N38 VanDerWaalsContact OD2-N 3.13Å; E32-N38 PolarHBondContact N-OD1 2.68Å; N33-N38 PolarHBondContact N-OD1 2.88Å; N33-N38 VanDerWaalsContact N-OD1 3.09Å; N38-S40 PolarHBondContact O-N 3.49Å; N38-K259 WeakPolarHBondContact O-CE 3.45Å; N38-K259 PolarHBondContact O-NZ 3.48Å; N38-Y336 WeakPolarHBondContact CA-O 3.18Å; N38-Y336 WeakPolarHBondContact CB-O 3.45Å; N38-Y336 PolarHBondContact ND2-O 3.47Å; N38-N337 PolarHBondContact ND2-O 2.94Å
39	W	95	Very high	89	Confident	15 Å²	15	49.8 Å²	49.8	6%	0.057	25%	0.25	C	S	.	.			trans	-59.6	132.8	165.4	-68.1	105.8	0	0	0	110.8	K41 D44 Y45 S48 I258 L333 Y336	W39-K41 VanDerWaalsContact C-N 3.32Å; W39-K41 PolarHBondContact O-N 3.07Å; W39-D44 HydrophobicContact CE3-CB 3.91Å; W39-D44 HydrophobicContact CZ3-CB 4.48Å; W39-Y45 AromaticContact CD1-CD2 3.84Å; W39-Y45 AromaticContact CE2-CD2 3.86Å; W39-Y45 HydrophobicContact CZ2-CD2 4.35Å; W39-Y45 AromaticContact NE1-CD2 3.35Å; W39-S48 WeakPolarHBondContact CH2-OG 3.49Å; W39-S48 WeakPolarHBondContact CZ3-OG 3.47Å; W39-I258 HydrophobicContact CD2-CB 4.38Å; W39-I258 HydrophobicContact CD2-CD1 4.21Å; W39-I258 HydrophobicContact CE3-CB 3.95Å; W39-I258 HydrophobicContact CE3-CD1 4.41Å; W39-I258 HydrophobicContact CG-CD1 4.49Å; W39-I258 HydrophobicContact CH2-CB 3.72Å; W39-I258 HydrophobicContact CH2-CG2 3.6Å; W39-I258 HydrophobicContact CZ2-CB 4.16Å; W39-I258 HydrophobicContact CZ2-CG2 3.77Å; W39-I258 HydrophobicContact CZ3-CB 3.6Å; W39-I258 HydrophobicContact CZ3-CG2 4.05Å; W39-I258 WeakPolarHBondContact CZ3-O 3.46Å; W39-L333 HydrophobicContact CH2-CD2 4.08Å; W39-L333 HydrophobicContact CZ2-CB 4.33Å; W39-L333 HydrophobicContact CZ2-CD2 3.78Å; W39-L333 PolarHBondContact NE1-O 3.35Å; W39-Y336 PolarHBondContact N-O 2.95Å; W39-Y336 VanDerWaalsContact N-O 3.1Å
40	S	91.8	Very high	90.8	Very high	60 Å²	60	41.3 Å²	41.3	42%	0.42	21%	0.212	S	C	.	.	S	Bend	trans	-67.4	-34.2	-178.1	-56.2	0	0	0	0	112.2	N38 D44 K259	N38-S40 PolarHBondContact O-N 3.49Å; S40-D44 WeakPolarHBondContact CB-OD2 3.26Å; S40-K259 WeakPolarHBondContact OG-CD 3.32Å; S40-K259 PolarHBondContact OG-NZ 2.77Å
41	K	93.8	Very high	91.7	Very high	127 Å²	127	34.5 Å²	34.5	55%	0.552	18%	0.176	S	C	*	.	S	Bend	trans	-139.8	154.3	173.2	-61.8	-177.3	179.4	-179	0	110.3	W39 S43 D44 Y45	W39-K41 VanDerWaalsContact C-N 3.32Å; W39-K41 PolarHBondContact O-N 3.07Å; K41-S43 WeakPolarHBondContact CB-OG 3.47Å; K41-S43 PolarHBondContact O-N 3.12Å; K41-D44 PolarHBondContact N-OD2 3.31Å; K41-D44 VanDerWaalsContact O-CB 3.32Å; K41-D44 WeakPolarHBondContact O-CB 3.49Å; K41-D44 PolarHBondContact O-N 2.9Å; K41-D44 VanDerWaalsContact O-N 3.08Å; K41-Y45 PolarHBondContact O-N 3.11Å
42	K	94.1	Very high	92.3	Very high	93 Å²	93	34 Å²	34	40%	0.404	17%	0.173	S	C	.	.	H	α-helix	trans	-59	-35.4	173.4	-176.4	170.9	-177.1	173.5	0	112.7	D44 Y45 L46 D346	K42-D44 VanDerWaalsContact C-N 3.32Å; K42-D44 PolarHBondContact O-N 2.99Å; K42-Y45 PolarHBondContact O-N 3.37Å; K42-L46 HydrophobicContact CG-CD1 4.2Å; K42-L46 HydrophobicContact CG-CG 4.38Å; K42-L46 PolarHBondContact O-N 3.33Å; K42-D346 WeakPolarHBondContact CE-OD1 3.46Å; K42-D346 WeakPolarHBondContact CE-OD2 3.4Å; K42-D346 IonicContact NZ-OD1 3.08Å; K42-D346 PolarHBondContact NZ-OD1 3.31Å; K42-D346 IonicContact NZ-OD2 3.9Å
43	S	95.6	Very high	92.7	Very high	43 Å²	43	30.8 Å²	30.8	30%	0.301	16%	0.158	S	C	.	.	H	α-helix	trans	-64.2	-34.9	175.3	47.6	0	0	0	0	112.9	K41 Y45 L46 L47 Y266	K41-S43 WeakPolarHBondContact CB-OG 3.47Å; K41-S43 PolarHBondContact O-N 3.12Å; S43-Y45 VanDerWaalsContact C-N 3.32Å; S43-Y45 PolarHBondContact O-N 3.03Å; S43-L46 PolarHBondContact O-N 2.9Å; S43-L47 WeakPolarHBondContact O-CB 3.32Å; S43-L47 WeakPolarHBondContact O-CG 3.41Å; S43-L47 PolarHBondContact O-N 3.31Å; S43-Y266 VanDerWaalsContact CB-OH 3.26Å; S43-Y266 WeakPolarHBondContact CB-OH 3.42Å; S43-Y266 PolarHBondContact OG-OH 2.63Å
44	D	96.6	Very high	93.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-45.2	175.3	-55.9	-4.1	0	0	0	109.7	W39 S40 K41 K42 S48 K263 Y266	W39-D44 HydrophobicContact CE3-CB 3.91Å; W39-D44 HydrophobicContact CZ3-CB 4.48Å; S40-D44 WeakPolarHBondContact CB-OD2 3.26Å; K41-D44 PolarHBondContact N-OD2 3.31Å; K41-D44 VanDerWaalsContact O-CB 3.32Å; K41-D44 WeakPolarHBondContact O-CB 3.49Å; K41-D44 PolarHBondContact O-N 2.9Å; K41-D44 VanDerWaalsContact O-N 3.08Å; K42-D44 VanDerWaalsContact C-N 3.32Å; K42-D44 PolarHBondContact O-N 2.99Å; D44-S48 VanDerWaalsContact O-CB 3.3Å; D44-S48 WeakPolarHBondContact O-CB 3.5Å; D44-S48 PolarHBondContact O-N 3.18Å; D44-S48 PolarHBondContact O-OG 3.2Å; D44-K263 IonicContact OD1-NZ 3.65Å; D44-K263 PolarHBondContact OD1-NZ 3.19Å; D44-K263 IonicContact OD2-NZ 2.71Å; D44-K263 PolarHBondContact OD2-NZ 3.2Å; D44-Y266 VanDerWaalsContact OD1-CE2 3.31Å; D44-Y266 WeakPolarHBondContact OD1-CE2 3.25Å; D44-Y266 PolarHBondContact OD1-OH 3.19Å
45	Y	97.3	Very high	93.8	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-53.9	175.3	170.8	-116.5	0	0	0	112.2	W39 K41 K42 S43 L47 S48 M49 S334 N337 D346	W39-Y45 AromaticContact CD1-CD2 3.84Å; W39-Y45 AromaticContact CE2-CD2 3.86Å; W39-Y45 HydrophobicContact CZ2-CD2 4.35Å; W39-Y45 AromaticContact NE1-CD2 3.35Å; K41-Y45 PolarHBondContact O-N 3.11Å; K42-Y45 PolarHBondContact O-N 3.37Å; S43-Y45 VanDerWaalsContact C-N 3.32Å; S43-Y45 PolarHBondContact O-N 3.03Å; Y45-L47 VanDerWaalsContact C-N 3.35Å; Y45-L47 PolarHBondContact O-N 3.36Å; Y45-S48 WeakPolarHBondContact O-CB 3.48Å; Y45-S48 PolarHBondContact O-N 3.29Å; Y45-S48 VanDerWaalsContact O-N 3.11Å; Y45-M49 HydrophobicContact CD2-CG 3.72Å; Y45-M49 HydrophobicContact CD2-SD 4.32Å; Y45-M49 HydrophobicContact CE1-CG 4.16Å; Y45-M49 HydrophobicContact CE2-CE 4.4Å; Y45-M49 HydrophobicContact CE2-CG 3.29Å; Y45-M49 HydrophobicContact CE2-SD 3.53Å; Y45-M49 VanDerWaalsContact CE2-SD 3.53Å; Y45-M49 HydrophobicContact CG-CG 4.35Å; Y45-M49 WeakPolarHBondContact O-CG 3.33Å; Y45-M49 PolarHBondContact O-N 3.28Å; Y45-S334 PolarHBondContact OH-OG 3.43Å; Y45-N337 WeakPolarHBondContact CD1-OD1 3.46Å; Y45-N337 VanDerWaalsContact CD2-OD1 3.3Å; Y45-N337 WeakPolarHBondContact CD2-OD1 3.2Å; Y45-N337 WeakPolarHBondContact CE1-ND2 3.41Å; Y45-N337 PolarHBondContact OH-ND2 2.96Å; Y45-D346 HydrophobicContact CE1-CB 4.05Å
46	L	97.6	Very high	94.4	Very high	40 Å²	40	22.4 Å²	22.4	21%	0.209	12%	0.118	C	C	.	.	H	α-helix	trans	-59.6	-44.1	-176.7	-77.3	176.7	0	0	0	112.1	K42 S43 S48 M49 V50 D346 V350	K42-L46 HydrophobicContact CG-CD1 4.2Å; K42-L46 HydrophobicContact CG-CG 4.38Å; K42-L46 PolarHBondContact O-N 3.33Å; S43-L46 PolarHBondContact O-N 2.9Å; L46-S48 VanDerWaalsContact C-N 3.35Å; L46-M49 PolarHBondContact O-N 2.71Å; L46-V50 VanDerWaalsContact O-CG2 3.32Å; L46-V50 WeakPolarHBondContact O-CG2 3.37Å; L46-V50 PolarHBondContact O-N 3.13Å; L46-D346 HydrophobicContact CD2-CB 3.73Å; L46-V350 HydrophobicContact CD2-CG2 4.21Å
47	L	97.5	Very high	94.6	Very high	30 Å²	30	22.9 Å²	22.9	16%	0.157	13%	0.126	C	C	.	.	H	α-helix	trans	-67.8	-35.5	176.7	-70.1	174.3	0	0	0	111.9	S43 Y45 V50 G51 V265 Y266 L270	S43-L47 WeakPolarHBondContact O-CB 3.32Å; S43-L47 WeakPolarHBondContact O-CG 3.41Å; S43-L47 PolarHBondContact O-N 3.31Å; Y45-L47 VanDerWaalsContact C-N 3.35Å; Y45-L47 PolarHBondContact O-N 3.36Å; L47-V50 PolarHBondContact O-N 3.44Å; L47-G51 PolarHBondContact O-N 3Å; L47-V265 HydrophobicContact CB-CB 4.41Å; L47-V265 HydrophobicContact CB-CG2 3.98Å; L47-Y266 HydrophobicContact CD1-CD1 3.68Å; L47-Y266 HydrophobicContact CD1-CD2 4.09Å; L47-Y266 HydrophobicContact CD1-CE1 3.74Å; L47-Y266 HydrophobicContact CD1-CE2 4.14Å; L47-Y266 HydrophobicContact CD1-CG 3.89Å; L47-L270 HydrophobicContact CD2-CD2 3.88Å; L47-L270 HydrophobicContact CD2-CG 4.38Å
48	S	97.6	Very high	94.9	Very high	9 Å²	9	23 Å²	23	6%	0.063	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-39.8	173.8	-58.8	0	0	0	0	111.9	W39 D44 Y45 L46 Y52	W39-S48 WeakPolarHBondContact CH2-OG 3.49Å; W39-S48 WeakPolarHBondContact CZ3-OG 3.47Å; D44-S48 VanDerWaalsContact O-CB 3.3Å; D44-S48 WeakPolarHBondContact O-CB 3.5Å; D44-S48 PolarHBondContact O-N 3.18Å; D44-S48 PolarHBondContact O-OG 3.2Å; Y45-S48 WeakPolarHBondContact O-CB 3.48Å; Y45-S48 PolarHBondContact O-N 3.29Å; Y45-S48 VanDerWaalsContact O-N 3.11Å; L46-S48 VanDerWaalsContact C-N 3.35Å; S48-Y52 WeakPolarHBondContact O-CB 3.41Å; S48-Y52 PolarHBondContact O-N 3.02Å
49	M	97.7	Very high	94.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-69.4	-40.2	176	-66	-66.4	-71.7	0	0	111.9	Y45 L46 Y52 A53 F90 C94 L330 L333 V350	Y45-M49 HydrophobicContact CD2-CG 3.72Å; Y45-M49 HydrophobicContact CD2-SD 4.32Å; Y45-M49 HydrophobicContact CE1-CG 4.16Å; Y45-M49 HydrophobicContact CE2-CE 4.4Å; Y45-M49 HydrophobicContact CE2-CG 3.29Å; Y45-M49 HydrophobicContact CE2-SD 3.53Å; Y45-M49 VanDerWaalsContact CE2-SD 3.53Å; Y45-M49 HydrophobicContact CG-CG 4.35Å; Y45-M49 WeakPolarHBondContact O-CG 3.33Å; Y45-M49 PolarHBondContact O-N 3.28Å; L46-M49 PolarHBondContact O-N 2.71Å; M49-Y52 PolarHBondContact O-N 3.03Å; M49-A53 WeakPolarHBondContact O-CB 3.26Å; M49-A53 PolarHBondContact O-N 3.16Å; M49-F90 HydrophobicContact CE-CE1 3.87Å; M49-F90 HydrophobicContact CE-CE2 4.41Å; M49-F90 HydrophobicContact CE-CZ 3.52Å; M49-C94 VanDerWaalsContact CE-SG 3.53Å; M49-L330 HydrophobicContact CE-CB 4.45Å; M49-L330 HydrophobicContact CE-CD2 3.45Å; M49-L330 VanDerWaalsContact CE-CD2 3.45Å; M49-L330 HydrophobicContact SD-CD2 4.43Å; M49-L333 HydrophobicContact SD-CB 3.64Å; M49-L333 HydrophobicContact SD-CD1 3.69Å; M49-L333 HydrophobicContact SD-CG 4.34Å; M49-V350 HydrophobicContact CB-CG1 4.09Å; M49-V350 HydrophobicContact CB-CG2 3.69Å
50	V	97.3	Very high	94.2	Very high	13 Å²	13	23 Å²	23	8%	0.079	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-46.2	173.5	170.2	0	0	0	0	110.6	L46 L47 Y52 A53 V54 V350 T353	L46-V50 VanDerWaalsContact O-CG2 3.32Å; L46-V50 WeakPolarHBondContact O-CG2 3.37Å; L46-V50 PolarHBondContact O-N 3.13Å; L47-V50 PolarHBondContact O-N 3.44Å; V50-Y52 VanDerWaalsContact C-N 3.3Å; V50-Y52 PolarHBondContact O-N 3Å; V50-A53 PolarHBondContact O-N 2.92Å; V50-V54 HydrophobicContact CG1-CG2 4Å; V50-V54 VanDerWaalsContact O-CB 3.23Å; V50-V54 WeakPolarHBondContact O-CB 3.45Å; V50-V54 WeakPolarHBondContact O-CG2 3.33Å; V50-V54 PolarHBondContact O-N 3.5Å; V50-V350 HydrophobicContact CG2-CG1 4.4Å; V50-V350 HydrophobicContact CG2-CG2 4.18Å; V50-T353 HydrophobicContact CG1-CG2 3.91Å; V50-T353 HydrophobicContact CG2-CG2 4.15Å
51	G	95.9	Very high	94.1	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-65.9	-31	177.3	0	0	0	0	0	113	L47 D422	L47-G51 PolarHBondContact O-N 3Å; G51-D422 VanDerWaalsContact C-CB 3.47Å; G51-D422 VanDerWaalsContact O-CB 3.26Å; G51-D422 WeakPolarHBondContact O-CB 3.18Å
52	Y	96.5	Very high	94.1	Very high	5 Å²	5	17.7 Å²	17.7	2%	0.02	9%	0.094	C	C	.	.	H	α-helix	trans	-68.5	-45.1	173.2	-178.5	-140.4	0	0	0	112.1	S48 M49 V50 S324 W327 L330 L333 A426	S48-Y52 WeakPolarHBondContact O-CB 3.41Å; S48-Y52 PolarHBondContact O-N 3.02Å; M49-Y52 PolarHBondContact O-N 3.03Å; V50-Y52 VanDerWaalsContact C-N 3.3Å; V50-Y52 PolarHBondContact O-N 3Å; Y52-S324 WeakPolarHBondContact OH-CB 3.27Å; Y52-W327 WeakPolarHBondContact OH-CB 3.46Å; Y52-L330 HydrophobicContact CD1-CD2 3.77Å; Y52-L330 HydrophobicContact CE1-CD2 3.81Å; Y52-L330 HydrophobicContact CE1-CG 4.14Å; Y52-L333 HydrophobicContact CD1-CD1 4.01Å; Y52-L333 HydrophobicContact CG-CD1 4.24Å; Y52-A426 HydrophobicContact CD1-CB 4.17Å; Y52-A426 HydrophobicContact CD2-CB 3.2Å; Y52-A426 HydrophobicContact CE2-CB 3.65Å; Y52-A426 HydrophobicContact CG-CB 3.48Å; Y52-A426 VanDerWaalsContact CG-CB 3.48Å
53	A	95.4	Very high	93.9	Very high	3 Å²	3	13.2 Å²	13.2	3%	0.025	8%	0.075	C	C	.	.	H	α-helix	trans	-73.8	-41.6	179.5	0	0	0	0	0	112.7	M49 V50 G55 N58 S322 V350 N354	M49-A53 WeakPolarHBondContact O-CB 3.26Å; M49-A53 PolarHBondContact O-N 3.16Å; V50-A53 PolarHBondContact O-N 2.92Å; A53-G55 PolarHBondContact O-N 3.45Å; A53-G55 VanDerWaalsContact O-N 3.1Å; A53-N58 PolarHBondContact O-OD1 3.41Å; A53-S322 CarbonylContact C-O 3.04Å; A53-S322 WeakPolarHBondContact CA-O 3.02Å; A53-V350 HydrophobicContact CB-CG1 4.2Å; A53-N354 HydrophobicContact CB-CB 4Å; A53-N354 PolarHBondContact O-OD1 3.06Å
54	V	94.8	Very high	93.5	Very high	5 Å²	5	13.5 Å²	13.5	3%	0.03	7%	0.07	C	C	.	.	S	Bend	trans	-84.2	88.8	179.7	-178	0	0	0	0	109.2	V50 N354 T357 L419	V50-V54 HydrophobicContact CG1-CG2 4Å; V50-V54 VanDerWaalsContact O-CB 3.23Å; V50-V54 WeakPolarHBondContact O-CB 3.45Å; V50-V54 WeakPolarHBondContact O-CG2 3.33Å; V50-V54 PolarHBondContact O-N 3.5Å; V54-N354 HydrophobicContact CG2-CB 4.28Å; V54-T357 HydrophobicContact CG1-CG2 3.62Å; V54-T357 HydrophobicContact CG2-CG2 4.34Å; V54-L419 HydrophobicContact CG1-CD2 3.78Å
55	G	90.9	Very high	93.2	Very high	6 Å²	6	14.1 Å²	14.1	6%	0.062	7%	0.073	C	C	.	.			trans	-108.2	-166.6	176.9	0	0	0	0	0	113.1	A53 G57 N58	A53-G55 PolarHBondContact O-N 3.45Å; A53-G55 VanDerWaalsContact O-N 3.1Å; G55-G57 PolarHBondContact O-N 2.92Å; G55-N58 PolarHBondContact N-OD1 2.81Å; G55-N58 WeakPolarHBondContact O-CB 3.19Å; G55-N58 PolarHBondContact O-N 3.43Å; G55-N58 PolarHBondContact O-OD1 2.79Å
56	L	89.9	Confident	93	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.8	-30.2	178.2	-61.7	165.6	0	0	0	112.9	N58 V59 W60 Y132 I135 L416 L419	L56-N58 PolarHBondContact O-N 3.12Å; L56-V59 PolarHBondContact O-N 3.02Å; L56-W60 HydrophobicContact CB-CD2 4.13Å; L56-W60 HydrophobicContact CB-CE3 3.98Å; L56-W60 HydrophobicContact CB-CH2 3.25Å; L56-W60 HydrophobicContact CB-CZ2 3.35Å; L56-W60 HydrophobicContact CB-CZ3 3.6Å; L56-W60 HydrophobicContact CD1-CH2 3.34Å; L56-W60 HydrophobicContact CD1-CZ2 4Å; L56-W60 HydrophobicContact CD1-CZ3 4.02Å; L56-W60 HydrophobicContact CD2-CE3 4.47Å; L56-W60 HydrophobicContact CD2-CH2 3.94Å; L56-W60 HydrophobicContact CD2-CZ3 3.73Å; L56-W60 HydrophobicContact CG-CH2 3.66Å; L56-W60 HydrophobicContact CG-CZ2 4.21Å; L56-W60 HydrophobicContact CG-CZ3 3.97Å; L56-W60 PolarHBondContact O-N 3.13Å; L56-Y132 HydrophobicContact CD1-CE1 4.02Å; L56-Y132 HydrophobicContact CD1-CE2 4.05Å; L56-Y132 PolarHBondContact N-OH 3.34Å; L56-I135 HydrophobicContact CD1-CB 4.22Å; L56-I135 HydrophobicContact CD1-CD1 4.33Å; L56-I135 HydrophobicContact CD1-CG2 3.97Å; L56-L416 HydrophobicContact CD2-CB 3.96Å; L56-L416 HydrophobicContact CD2-CD2 3.78Å; L56-L416 HydrophobicContact CD2-CG 4.39Å; L56-L416 WeakPolarHBondContact CD2-O 3.37Å; L56-L419 HydrophobicContact CD2-CB 4.21Å
57	G	88.9	Confident	92.4	Very high	21 Å²	21	13.7 Å²	13.7	22%	0.216	7%	0.069	C	C	.	.	H	α-helix	trans	-60.7	-28.4	178.1	0	0	0	0	0	113.7	G55 V59 R61 F62	G55-G57 PolarHBondContact O-N 2.92Å; G57-V59 VanDerWaalsContact C-N 3.28Å; G57-V59 PolarHBondContact O-N 2.97Å; G57-R61 WeakPolarHBondContact O-CA 3.45Å; G57-R61 VanDerWaalsContact O-CB 3.27Å; G57-R61 WeakPolarHBondContact O-CB 3.22Å; G57-R61 PolarHBondContact O-N 3.4Å; G57-F62 PolarHBondContact O-N 2.73Å
58	N	93.8	Very high	91.9	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	8%	0.079	C	C	.	.	H	α-helix	trans	-68	-29.2	176.6	-58.6	70.2	0	0	0	111.9	A53 G55 L56 P63 S322 N354 S358	A53-N58 PolarHBondContact O-OD1 3.41Å; G55-N58 PolarHBondContact N-OD1 2.81Å; G55-N58 WeakPolarHBondContact O-CB 3.19Å; G55-N58 PolarHBondContact O-N 3.43Å; G55-N58 PolarHBondContact O-OD1 2.79Å; L56-N58 PolarHBondContact O-N 3.12Å; N58-P63 WeakPolarHBondContact O-CD 3.32Å; N58-S322 PolarHBondContact ND2-OG 3.21Å; N58-N354 PolarHBondContact ND2-O 2.91Å; N58-N354 PolarHBondContact ND2-OD1 3.43Å; N58-S358 PolarHBondContact ND2-OG 2.81Å
59	V	90.3	Very high	91.6	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.012	8%	0.076	C	C	.	.	H	α-helix	trans	-94.6	-35.8	-174.5	179.7	0	0	0	0	112.9	L56 G57 P63 A361 I365 Y395 F412 M415 L416 L419	L56-V59 PolarHBondContact O-N 3.02Å; G57-V59 VanDerWaalsContact C-N 3.28Å; G57-V59 PolarHBondContact O-N 2.97Å; V59-P63 WeakPolarHBondContact O-CG 3.39Å; V59-A361 HydrophobicContact CG2-CB 4.18Å; V59-I365 HydrophobicContact CG1-CD1 4.11Å; V59-I365 HydrophobicContact CG1-CG1 4.19Å; V59-Y395 HydrophobicContact CG1-CE2 4.41Å; V59-Y395 PolarHBondContact O-OH 2.67Å; V59-F412 HydrophobicContact CG1-CE2 4.38Å; V59-M415 HydrophobicContact CG1-CE 4.18Å; V59-L416 HydrophobicContact CG1-CD2 4.44Å; V59-L419 HydrophobicContact CG2-CD1 3.51Å
60	W	84.8	Confident	91.3	Very high	19 Å²	19	15.5 Å²	15.5	7%	0.072	8%	0.08	C	C	.	.	H	α-helix	trans	-111.3	-32.7	-179.6	64.3	60.5	0	0	0	114.1	L56 Y64 I135 F388 L390 A391 F392 Y395 L416	L56-W60 HydrophobicContact CB-CD2 4.13Å; L56-W60 HydrophobicContact CB-CE3 3.98Å; L56-W60 HydrophobicContact CB-CH2 3.25Å; L56-W60 HydrophobicContact CB-CZ2 3.35Å; L56-W60 HydrophobicContact CB-CZ3 3.6Å; L56-W60 HydrophobicContact CD1-CH2 3.34Å; L56-W60 HydrophobicContact CD1-CZ2 4Å; L56-W60 HydrophobicContact CD1-CZ3 4.02Å; L56-W60 HydrophobicContact CD2-CE3 4.47Å; L56-W60 HydrophobicContact CD2-CH2 3.94Å; L56-W60 HydrophobicContact CD2-CZ3 3.73Å; L56-W60 HydrophobicContact CG-CH2 3.66Å; L56-W60 HydrophobicContact CG-CZ2 4.21Å; L56-W60 HydrophobicContact CG-CZ3 3.97Å; L56-W60 PolarHBondContact O-N 3.13Å; W60-Y64 VanDerWaalsContact O-CB 3.28Å; W60-Y64 WeakPolarHBondContact O-CB 3.44Å; W60-I135 HydrophobicContact CH2-CD1 4.39Å; W60-I135 HydrophobicContact CH2-CG2 3.5Å; W60-I135 VanDerWaalsContact CH2-CG2 3.5Å; W60-I135 HydrophobicContact CZ2-CD1 4.42Å; W60-I135 HydrophobicContact CZ2-CG2 4.46Å; W60-I135 HydrophobicContact CZ3-CG2 4.18Å; W60-F388 HydrophobicContact CZ2-CE1 4.39Å; W60-L390 HydrophobicContact CB-CB 4.46Å; W60-L390 HydrophobicContact CB-CD2 4.11Å; W60-L390 WeakPolarHBondContact O-CD2 3.45Å; W60-A391 HydrophobicContact CB-CB 4.47Å; W60-A391 HydrophobicContact CD2-CB 4.07Å; W60-A391 HydrophobicContact CE3-CB 3.29Å; W60-A391 HydrophobicContact CZ3-CB 3.68Å; W60-F392 HydrophobicContact CZ3-CE2 4.45Å; W60-Y395 HydrophobicContact CB-CE2 4.39Å; W60-L416 HydrophobicContact CE3-CD2 4.44Å; W60-L416 HydrophobicContact CZ3-CD1 4.47Å; W60-L416 HydrophobicContact CZ3-CD2 4.45Å
61	R	89.5	Confident	91.1	Very high	74 Å²	74	15 Å²	15	28%	0.279	8%	0.078	S	C	.	.	H	α-helix	trans	-87.4	-48.1	-170.8	-170.2	178.3	176.5	171.9	-0.6	111	G57 Y64 L65	G57-R61 WeakPolarHBondContact O-CA 3.45Å; G57-R61 VanDerWaalsContact O-CB 3.27Å; G57-R61 WeakPolarHBondContact O-CB 3.22Å; G57-R61 PolarHBondContact O-N 3.4Å; R61-Y64 WeakPolarHBondContact O-CB 3.37Å; R61-Y64 PolarHBondContact O-N 3.39Å; R61-L65 HydrophobicContact CG-CD1 4.04Å; R61-L65 HydrophobicContact CG-CG 4.33Å; R61-L65 WeakPolarHBondContact O-CG 3.45Å; R61-L65 PolarHBondContact O-N 2.9Å
62	F	93.4	Very high	91	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.2	-46.8	179.6	177.2	-96	0	0	0	113.1	G57 Y64 L65 T66 F74 L75 Y78 Y296 Q318 S358 V359	G57-F62 PolarHBondContact O-N 2.73Å; F62-Y64 VanDerWaalsContact C-N 3.29Å; F62-Y64 PolarHBondContact O-N 2.56Å; F62-L65 PolarHBondContact O-N 2.89Å; F62-T66 WeakPolarHBondContact O-CB 3.41Å; F62-T66 PolarHBondContact O-N 3.21Å; F62-T66 PolarHBondContact O-OG1 3.05Å; F62-F74 HydrophobicContact CD2-CE1 4.45Å; F62-F74 HydrophobicContact CE2-CE1 4.18Å; F62-L75 HydrophobicContact CZ-CD2 3.86Å; F62-Y78 HydrophobicContact CD2-CD2 4.28Å; F62-Y78 HydrophobicContact CD2-CE1 4.33Å; F62-Y78 AromaticContact CD2-CE2 3.85Å; F62-Y78 HydrophobicContact CD2-CE2 3.85Å; F62-Y78 AromaticContact CD2-CZ 3.88Å; F62-Y78 AromaticContact CE2-CD1 3.66Å; F62-Y78 HydrophobicContact CE2-CD1 3.66Å; F62-Y78 AromaticContact CE2-CD2 3.77Å; F62-Y78 HydrophobicContact CE2-CD2 3.77Å; F62-Y78 AromaticContact CE2-CE1 3.51Å; F62-Y78 HydrophobicContact CE2-CE1 3.51Å; F62-Y78 AromaticContact CE2-CE2 3.63Å; F62-Y78 HydrophobicContact CE2-CE2 3.63Å; F62-Y78 AromaticContact CE2-CG 3.78Å; F62-Y78 HydrophobicContact CE2-CG 3.78Å; F62-Y78 AromaticContact CE2-CZ 3.51Å; F62-Y78 HydrophobicContact CZ-CD1 4.11Å; F62-Y78 AromaticContact CZ-CE1 3.99Å; F62-Y78 HydrophobicContact CZ-CE1 3.99Å; F62-Y296 VanDerWaalsContact CE1-OH 3.25Å; F62-Y296 WeakPolarHBondContact CE1-OH 3.14Å; F62-Q318 HydrophobicContact CD2-CG 4.1Å; F62-S358 VanDerWaalsContact CD1-C 3.49Å; F62-S358 VanDerWaalsContact CD1-CB 3.44Å; F62-S358 VanDerWaalsContact CD1-O 3.3Å; F62-S358 WeakPolarHBondContact CD1-O 3.32Å; F62-V359 HydrophobicContact CE1-CB 4.43Å; F62-V359 HydrophobicContact CE1-CG2 3.81Å; F62-V359 HydrophobicContact CZ-CG2 3.82Å
63	P	91	Very high	90.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.5	-39.5	178.4	-24.5	38.2	0	0	0	111.6	N58 V59 T66 Y67 Y296 F366	N58-P63 WeakPolarHBondContact O-CD 3.32Å; V59-P63 WeakPolarHBondContact O-CG 3.39Å; P63-T66 PolarHBondContact O-N 3.4Å; P63-Y67 PolarHBondContact O-N 3.29Å; P63-Y296 HydrophobicContact CB-CE2 4.48Å; P63-F366 HydrophobicContact CB-CD2 3.98Å; P63-F366 HydrophobicContact CB-CE2 3.52Å; P63-F366 WeakPolarHBondContact O-CE2 3.14Å
64	Y	87.6	Confident	90.9	Very high	49 Å²	49	15.1 Å²	15.1	19%	0.192	8%	0.081	C	C	.	.	H	α-helix	trans	-58.7	-52.1	173.5	172.7	-92.4	0	0	0	112.4	W60 R61 F62 T66 Y67 N68 V384 K385 S386	W60-Y64 VanDerWaalsContact O-CB 3.28Å; W60-Y64 WeakPolarHBondContact O-CB 3.44Å; R61-Y64 WeakPolarHBondContact O-CB 3.37Å; R61-Y64 PolarHBondContact O-N 3.39Å; F62-Y64 VanDerWaalsContact C-N 3.29Å; F62-Y64 PolarHBondContact O-N 2.56Å; Y64-T66 VanDerWaalsContact C-N 3.29Å; Y64-T66 PolarHBondContact O-N 3.25Å; Y64-Y67 HydrophobicContact CD2-CD1 4.44Å; Y64-Y67 AromaticContact CD2-CE1 3.36Å; Y64-Y67 HydrophobicContact CD2-CE1 3.36Å; Y64-Y67 AromaticContact CD2-CZ 3.84Å; Y64-Y67 AromaticContact CE2-CE1 3.78Å; Y64-Y67 HydrophobicContact CE2-CE1 3.78Å; Y64-Y67 AromaticContact CE2-CZ 3.75Å; Y64-Y67 WeakPolarHBondContact CE2-OH 3.43Å; Y64-Y67 AromaticContact CG-CE1 3.97Å; Y64-Y67 HydrophobicContact CG-CE1 3.97Å; Y64-Y67 WeakPolarHBondContact O-CD1 3.49Å; Y64-Y67 WeakPolarHBondContact O-CE1 3.35Å; Y64-Y67 PolarHBondContact O-N 3.37Å; Y64-N68 WeakPolarHBondContact O-CB 3.34Å; Y64-N68 PolarHBondContact O-N 3.22Å; Y64-N68 VanDerWaalsContact O-N 3.09Å; Y64-V384 HydrophobicContact CD2-CG1 4.4Å; Y64-K385 WeakPolarHBondContact CD2-O 3.16Å; Y64-S386 VanDerWaalsContact CE2-CA 3.45Å
65	L	89.9	Confident	91	Very high	13 Å²	13	17.2 Å²	17.2	7%	0.068	9%	0.091	C	C	.	.	H	α-helix	trans	-63.8	-36.3	-179.4	-71.7	177.8	0	0	0	112.2	R61 F62 N68 N69 F74 D314 Q318	R61-L65 HydrophobicContact CG-CD1 4.04Å; R61-L65 HydrophobicContact CG-CG 4.33Å; R61-L65 WeakPolarHBondContact O-CG 3.45Å; R61-L65 PolarHBondContact O-N 2.9Å; F62-L65 PolarHBondContact O-N 2.89Å; L65-N68 PolarHBondContact O-N 2.95Å; L65-N69 WeakPolarHBondContact O-CB 3.23Å; L65-N69 PolarHBondContact O-N 2.99Å; L65-N69 PolarHBondContact O-ND2 2.64Å; L65-F74 HydrophobicContact CB-CE1 4.07Å; L65-F74 HydrophobicContact CB-CZ 3.99Å; L65-D314 HydrophobicContact CD2-CB 4.25Å; L65-Q318 HydrophobicContact CD1-CB 3.73Å; L65-Q318 HydrophobicContact CD1-CG 3.97Å
66	T	92	Very high	91.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.1	-51.4	179.4	-56.1	0	0	0	0	110.6	F62 P63 Y64 N69 G71 F74 Y296 I297	F62-T66 WeakPolarHBondContact O-CB 3.41Å; F62-T66 PolarHBondContact O-N 3.21Å; F62-T66 PolarHBondContact O-OG1 3.05Å; P63-T66 PolarHBondContact O-N 3.4Å; Y64-T66 VanDerWaalsContact C-N 3.29Å; Y64-T66 PolarHBondContact O-N 3.25Å; T66-N69 PolarHBondContact O-N 3.44Å; T66-G71 VanDerWaalsContact CG2-O 3.26Å; T66-G71 WeakPolarHBondContact CG2-O 3.43Å; T66-G71 WeakPolarHBondContact O-CA 2.93Å; T66-G71 PolarHBondContact O-N 3.42Å; T66-F74 HydrophobicContact CG2-CB 4.38Å; T66-F74 HydrophobicContact CG2-CD1 4.39Å; T66-Y296 HydrophobicContact CG2-CD2 3.82Å; T66-Y296 HydrophobicContact CG2-CE2 3.42Å; T66-Y296 VanDerWaalsContact CG2-CE2 3.42Å; T66-I297 HydrophobicContact CG2-CG1 4.18Å
67	Y	85.9	Confident	91.4	Very high	32 Å²	32	20.4 Å²	20.4	13%	0.125	11%	0.106	C	C	.	.	H	α-helix	trans	-68.3	-42.8	-179.4	91.8	-97.9	0	0	0	111.8	P63 Y64 N69 G70 Y295 F366 V384	P63-Y67 PolarHBondContact O-N 3.29Å; Y64-Y67 HydrophobicContact CD2-CD1 4.44Å; Y64-Y67 AromaticContact CD2-CE1 3.36Å; Y64-Y67 HydrophobicContact CD2-CE1 3.36Å; Y64-Y67 AromaticContact CD2-CZ 3.84Å; Y64-Y67 AromaticContact CE2-CE1 3.78Å; Y64-Y67 HydrophobicContact CE2-CE1 3.78Å; Y64-Y67 AromaticContact CE2-CZ 3.75Å; Y64-Y67 WeakPolarHBondContact CE2-OH 3.43Å; Y64-Y67 AromaticContact CG-CE1 3.97Å; Y64-Y67 HydrophobicContact CG-CE1 3.97Å; Y64-Y67 WeakPolarHBondContact O-CD1 3.49Å; Y64-Y67 WeakPolarHBondContact O-CE1 3.35Å; Y64-Y67 PolarHBondContact O-N 3.37Å; Y67-N69 PolarHBondContact O-N 3.36Å; Y67-G70 PolarHBondContact O-N 3.49Å; Y67-Y295 HydrophobicContact CD2-CD1 4.45Å; Y67-Y295 AromaticContact CD2-CE1 3.39Å; Y67-Y295 HydrophobicContact CD2-CE1 3.39Å; Y67-Y295 AromaticContact CD2-CZ 3.9Å; Y67-Y295 HydrophobicContact CE2-CE1 4.17Å; Y67-Y295 HydrophobicContact CG-CD1 4.38Å; Y67-Y295 AromaticContact CG-CE1 3.69Å; Y67-Y295 HydrophobicContact CG-CE1 3.69Å; Y67-F366 AromaticContact CD1-CZ 3.76Å; Y67-F366 HydrophobicContact CD1-CZ 3.76Å; Y67-F366 HydrophobicContact CG-CZ 4.16Å; Y67-V384 HydrophobicContact CD1-CG1 4Å; Y67-V384 HydrophobicContact CE1-CB 4.23Å; Y67-V384 HydrophobicContact CE1-CG1 3.27Å
68	N	87.1	Confident	91.8	Very high	68 Å²	68	19.8 Å²	19.8	36%	0.364	10%	0.097	S	C	.	.	H	α-helix	trans	-63.2	-29	-175.4	-166.9	56.6	0	0	0	111.7	Y64 L65	Y64-N68 WeakPolarHBondContact O-CB 3.34Å; Y64-N68 PolarHBondContact O-N 3.22Å; Y64-N68 VanDerWaalsContact O-N 3.09Å; L65-N68 PolarHBondContact O-N 2.95Å
69	N	92	Very high	91.9	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.016	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	30.8	-177.2	-67.5	-52	0	0	0	113.9	L65 T66 Y67 F74 V311 D314	L65-N69 WeakPolarHBondContact O-CB 3.23Å; L65-N69 PolarHBondContact O-N 2.99Å; L65-N69 PolarHBondContact O-ND2 2.64Å; T66-N69 PolarHBondContact O-N 3.44Å; Y67-N69 PolarHBondContact O-N 3.36Å; N69-F74 HydrophobicContact CB-CB 4.24Å; N69-F74 HydrophobicContact CB-CD2 3.36Å; N69-F74 HydrophobicContact CB-CE2 3.87Å; N69-F74 HydrophobicContact CB-CG 4Å; N69-V311 HydrophobicContact CB-CB 4.4Å; N69-V311 HydrophobicContact CB-CG1 4.14Å; N69-V311 HydrophobicContact CB-CG2 3.92Å; N69-D314 WeakPolarHBondContact ND2-CB 3.03Å; N69-D314 PolarHBondContact ND2-OD2 2.71Å
70	G	90.4	Very high	92.2	Very high	8 Å²	8	25.1 Å²	25.1	8%	0.082	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	21.9	171.1	0	0	0	0	0	115	Y67 G72 A73 S301 N302	Y67-G70 PolarHBondContact O-N 3.49Å; G70-G72 PolarHBondContact O-N 2.74Å; G70-A73 WeakPolarHBondContact O-CB 3.48Å; G70-A73 PolarHBondContact O-N 2.8Å; G70-S301 CarbonylContact O-C 3.29Å; G70-S301 WeakPolarHBondContact O-CA 3.42Å; G70-N302 PolarHBondContact O-N 3.03Å
71	G	93	Very high	92.6	Very high	3 Å²	3	25 Å²	25	3%	0.031	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	64.2	-126.9	176.2	0	0	0	0	0	112.1	T66 A73 F74 Y296	T66-G71 VanDerWaalsContact CG2-O 3.26Å; T66-G71 WeakPolarHBondContact CG2-O 3.43Å; T66-G71 WeakPolarHBondContact O-CA 2.93Å; T66-G71 PolarHBondContact O-N 3.42Å; G71-A73 PolarHBondContact O-N 3.03Å; G71-A73 VanDerWaalsContact O-N 3.12Å; G71-F74 VanDerWaalsContact O-CB 3.28Å; G71-F74 WeakPolarHBondContact O-CB 3.27Å; G71-F74 PolarHBondContact O-N 3.1Å; G71-Y296 CarbonylContact C-O 3.48Å; G71-Y296 VanDerWaalsContact C-O 3.22Å; G71-Y296 WeakPolarHBondContact CA-O 3.1Å
72	G	93.6	Very high	93	Very high	12 Å²	12	22.4 Å²	22.4	12%	0.124	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-60.1	-24.2	-179.1	0	0	0	0	0	114.2	G70 F74 L75 Y296 S301	G70-G72 PolarHBondContact O-N 2.74Å; G72-F74 PolarHBondContact O-N 3.1Å; G72-L75 WeakPolarHBondContact O-CB 3.48Å; G72-L75 WeakPolarHBondContact O-CG 3.39Å; G72-L75 PolarHBondContact O-N 3.26Å; G72-Y296 PolarHBondContact N-O 3.35Å; G72-S301 WeakPolarHBondContact CA-OG 3.2Å; G72-S301 PolarHBondContact N-OG 3.2Å
73	A	94.9	Very high	93.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-60.6	-33.1	175	0	0	0	0	0	111.9	G70 G71 L75 I76 P77 F303 L306	G70-A73 WeakPolarHBondContact O-CB 3.48Å; G70-A73 PolarHBondContact O-N 2.8Å; G71-A73 PolarHBondContact O-N 3.03Å; G71-A73 VanDerWaalsContact O-N 3.12Å; A73-L75 PolarHBondContact O-N 3.48Å; A73-I76 PolarHBondContact O-N 3.19Å; A73-P77 VanDerWaalsContact O-CD 3.22Å; A73-P77 WeakPolarHBondContact O-CD 3.43Å; A73-F303 HydrophobicContact CB-CD1 3.95Å; A73-F303 HydrophobicContact CB-CD2 4.44Å; A73-F303 HydrophobicContact CB-CE1 4.18Å; A73-F303 HydrophobicContact CB-CG 4.09Å; A73-L306 HydrophobicContact CB-CD1 4.46Å; A73-L306 HydrophobicContact CB-CD2 4.37Å; A73-L306 HydrophobicContact CB-CG 4.24Å; A73-L306 WeakPolarHBondContact O-CD2 3.27Å
74	F	96.1	Very high	93.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-62.7	-21.8	179.4	-177	-109.4	0	0	0	113.8	F62 L65 T66 N69 G71 G72 I76 P77 Y78 V311 D314 A315	F62-F74 HydrophobicContact CD2-CE1 4.45Å; F62-F74 HydrophobicContact CE2-CE1 4.18Å; L65-F74 HydrophobicContact CB-CE1 4.07Å; L65-F74 HydrophobicContact CB-CZ 3.99Å; T66-F74 HydrophobicContact CG2-CB 4.38Å; T66-F74 HydrophobicContact CG2-CD1 4.39Å; N69-F74 HydrophobicContact CB-CB 4.24Å; N69-F74 HydrophobicContact CB-CD2 3.36Å; N69-F74 HydrophobicContact CB-CE2 3.87Å; N69-F74 HydrophobicContact CB-CG 4Å; G71-F74 VanDerWaalsContact O-CB 3.28Å; G71-F74 WeakPolarHBondContact O-CB 3.27Å; G71-F74 PolarHBondContact O-N 3.1Å; G72-F74 PolarHBondContact O-N 3.1Å; F74-I76 PolarHBondContact O-N 3.48Å; F74-P77 HydrophobicContact CD2-CG 4.25Å; F74-P77 WeakPolarHBondContact O-CD 3.44Å; F74-P77 VanDerWaalsContact O-CG 3.25Å; F74-P77 WeakPolarHBondContact O-CG 3.36Å; F74-Y78 HydrophobicContact CE1-CD2 4.47Å; F74-Y78 VanDerWaalsContact O-CB 3.27Å; F74-Y78 WeakPolarHBondContact O-CB 3.2Å; F74-Y78 PolarHBondContact O-N 2.98Å; F74-Y78 VanDerWaalsContact O-N 3.07Å; F74-V311 HydrophobicContact CD2-CG1 4.12Å; F74-D314 HydrophobicContact CE2-CB 4.17Å; F74-A315 HydrophobicContact CD2-CB 4.44Å; F74-A315 HydrophobicContact CE2-CB 3.68Å; F74-A315 HydrophobicContact CZ-CB 3.93Å
75	L	95.6	Very high	93.5	Very high	48 Å²	48	23.6 Å²	23.6	25%	0.251	14%	0.138	S	C	.	.	H	α-helix	trans	-64.5	-27.5	177.4	-59.4	179.5	0	0	0	112.5	F62 G72 A73 A79 I297 V359	F62-L75 HydrophobicContact CZ-CD2 3.86Å; G72-L75 WeakPolarHBondContact O-CB 3.48Å; G72-L75 WeakPolarHBondContact O-CG 3.39Å; G72-L75 PolarHBondContact O-N 3.26Å; A73-L75 PolarHBondContact O-N 3.48Å; L75-A79 VanDerWaalsContact O-CB 3.25Å; L75-A79 WeakPolarHBondContact O-CB 3.32Å; L75-A79 PolarHBondContact O-N 3.24Å; L75-I297 HydrophobicContact CD1-CD1 3.87Å; L75-I297 HydrophobicContact CD1-CG1 4.2Å; L75-I297 HydrophobicContact CD1-CG2 4.04Å; L75-I297 HydrophobicContact CD2-CD1 4.34Å; L75-I297 HydrophobicContact CG-CD1 4.48Å; L75-V359 HydrophobicContact CD2-CG2 4.12Å
76	I	95.8	Very high	93.8	Very high	74 Å²	74	23 Å²	23	38%	0.379	13%	0.134	S	C	.	.	H	α-helix	trans	-65.1	-60.6	177.6	-63.9	168.2	0	0	0	111	A73 F74 Y78 A79 I80 F303 L306	A73-I76 PolarHBondContact O-N 3.19Å; F74-I76 PolarHBondContact O-N 3.48Å; I76-Y78 PolarHBondContact O-N 3.44Å; I76-A79 PolarHBondContact O-N 2.85Å; I76-I80 HydrophobicContact CG2-CD1 3.74Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.37Å; I76-I80 PolarHBondContact O-N 3.3Å; I76-F303 HydrophobicContact CD1-CD1 4.44Å; I76-F303 HydrophobicContact CD1-CE1 3.91Å; I76-L306 HydrophobicContact CD1-CD1 4.07Å
77	P	94.7	Very high	94	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-34.2	177.2	25.6	-34.4	0	0	0	111.3	A73 F74 I80 M81 L306 V311 W312 A315	A73-P77 VanDerWaalsContact O-CD 3.22Å; A73-P77 WeakPolarHBondContact O-CD 3.43Å; F74-P77 HydrophobicContact CD2-CG 4.25Å; F74-P77 WeakPolarHBondContact O-CD 3.44Å; F74-P77 VanDerWaalsContact O-CG 3.25Å; F74-P77 WeakPolarHBondContact O-CG 3.36Å; P77-I80 PolarHBondContact O-N 3.48Å; P77-M81 VanDerWaalsContact O-CB 3.28Å; P77-M81 WeakPolarHBondContact O-CB 3.27Å; P77-M81 WeakPolarHBondContact O-CG 3.3Å; P77-M81 PolarHBondContact O-N 3.43Å; P77-L306 HydrophobicContact CG-CD2 4.01Å; P77-V311 HydrophobicContact CG-CG1 3.92Å; P77-W312 HydrophobicContact CB-CD2 3.72Å; P77-W312 HydrophobicContact CB-CE3 3.48Å; P77-W312 VanDerWaalsContact CB-CE3 3.48Å; P77-W312 HydrophobicContact CB-CG 4.34Å; P77-W312 HydrophobicContact CB-CH2 4.2Å; P77-W312 HydrophobicContact CB-CZ2 4.37Å; P77-W312 HydrophobicContact CB-CZ3 3.75Å; P77-A315 HydrophobicContact CB-CB 3.76Å; P77-A315 HydrophobicContact CG-CB 4.18Å
78	Y	95.6	Very high	94.6	Very high	8 Å²	8	22.9 Å²	22.9	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-48.9	175.3	-175.9	-110.3	0	0	0	112.8	F62 F74 I76 M81 L82 Q318 I319 C355	F62-Y78 HydrophobicContact CD2-CD2 4.28Å; F62-Y78 HydrophobicContact CD2-CE1 4.33Å; F62-Y78 AromaticContact CD2-CE2 3.85Å; F62-Y78 HydrophobicContact CD2-CE2 3.85Å; F62-Y78 AromaticContact CD2-CZ 3.88Å; F62-Y78 AromaticContact CE2-CD1 3.66Å; F62-Y78 HydrophobicContact CE2-CD1 3.66Å; F62-Y78 AromaticContact CE2-CD2 3.77Å; F62-Y78 HydrophobicContact CE2-CD2 3.77Å; F62-Y78 AromaticContact CE2-CE1 3.51Å; F62-Y78 HydrophobicContact CE2-CE1 3.51Å; F62-Y78 AromaticContact CE2-CE2 3.63Å; F62-Y78 HydrophobicContact CE2-CE2 3.63Å; F62-Y78 AromaticContact CE2-CG 3.78Å; F62-Y78 HydrophobicContact CE2-CG 3.78Å; F62-Y78 AromaticContact CE2-CZ 3.51Å; F62-Y78 HydrophobicContact CZ-CD1 4.11Å; F62-Y78 AromaticContact CZ-CE1 3.99Å; F62-Y78 HydrophobicContact CZ-CE1 3.99Å; F74-Y78 HydrophobicContact CE1-CD2 4.47Å; F74-Y78 VanDerWaalsContact O-CB 3.27Å; F74-Y78 WeakPolarHBondContact O-CB 3.2Å; F74-Y78 PolarHBondContact O-N 2.98Å; F74-Y78 VanDerWaalsContact O-N 3.07Å; I76-Y78 PolarHBondContact O-N 3.44Å; Y78-M81 PolarHBondContact O-N 3.45Å; Y78-L82 WeakPolarHBondContact O-CB 3.29Å; Y78-L82 PolarHBondContact O-N 2.89Å; Y78-Q318 HydrophobicContact CD2-CG 4.45Å; Y78-Q318 HydrophobicContact CE2-CG 3.93Å; Y78-I319 HydrophobicContact CD1-CD1 4.49Å; Y78-I319 HydrophobicContact CD2-CD1 3.6Å; Y78-I319 HydrophobicContact CD2-CG1 3.71Å; Y78-I319 HydrophobicContact CE1-CD1 4.16Å; Y78-I319 HydrophobicContact CE2-CD1 3.16Å; Y78-I319 HydrophobicContact CE2-CG1 3.64Å; Y78-I319 HydrophobicContact CG-CD1 4.25Å; Y78-I319 VanDerWaalsContact CZ-CD1 3.49Å; Y78-C355 HydrophobicContact CE1-CB 3.86Å; Y78-C355 PolarHBondContact OH-SG 3Å; Y78-C355 VanDerWaalsContact OH-SG 3.4Å
79	A	96.5	Very high	95	Very high	54 Å²	54	19.7 Å²	19.7	45%	0.446	12%	0.119	S	C	.	.	H	α-helix	trans	-67.3	-37.4	178	0	0	0	0	0	112.6	L75 I76 L82 A83	L75-A79 VanDerWaalsContact O-CB 3.25Å; L75-A79 WeakPolarHBondContact O-CB 3.32Å; L75-A79 PolarHBondContact O-N 3.24Å; I76-A79 PolarHBondContact O-N 2.85Å; A79-L82 WeakPolarHBondContact O-CB 3.17Å; A79-L82 PolarHBondContact O-N 3.31Å; A79-A83 WeakPolarHBondContact O-CB 3.37Å; A79-A83 PolarHBondContact O-N 3.09Å
80	I	96	Very high	95.3	Very high	62 Å²	62	19.6 Å²	19.6	32%	0.318	12%	0.118	S	C	.	.	H	α-helix	trans	-65.1	-45.2	175.6	-68.8	168.4	0	0	0	110.3	I76 P77 L82 A83 L84 W312	I76-I80 HydrophobicContact CG2-CD1 3.74Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.37Å; I76-I80 PolarHBondContact O-N 3.3Å; P77-I80 PolarHBondContact O-N 3.48Å; I80-L82 VanDerWaalsContact C-N 3.32Å; I80-L82 PolarHBondContact O-N 3.45Å; I80-A83 PolarHBondContact O-N 3.45Å; I80-L84 HydrophobicContact CG2-CD1 3.52Å; I80-L84 HydrophobicContact CG2-CG 4.08Å; I80-L84 WeakPolarHBondContact O-CB 3.3Å; I80-L84 WeakPolarHBondContact O-CG 3.25Å; I80-L84 PolarHBondContact O-N 3.01Å; I80-W312 HydrophobicContact CB-CZ3 4.21Å; I80-W312 HydrophobicContact CD1-CH2 3.7Å; I80-W312 HydrophobicContact CD1-CZ3 3.93Å; I80-W312 HydrophobicContact CG2-CZ3 4.05Å
81	M	94.5	Very high	95.7	Very high	16 Å²	16	19.2 Å²	19.2	8%	0.079	11%	0.114	C	C	.	.	H	α-helix	trans	-65.2	-36.1	178.1	-70	-65.4	159.6	0	0	112.2	P77 Y78 A85 G86 W312 A315 A316 I319 L536	P77-M81 VanDerWaalsContact O-CB 3.28Å; P77-M81 WeakPolarHBondContact O-CB 3.27Å; P77-M81 WeakPolarHBondContact O-CG 3.3Å; P77-M81 PolarHBondContact O-N 3.43Å; Y78-M81 PolarHBondContact O-N 3.45Å; M81-A85 WeakPolarHBondContact O-CB 3.17Å; M81-A85 PolarHBondContact O-N 3.17Å; M81-G86 PolarHBondContact O-N 2.98Å; M81-W312 HydrophobicContact CE-CB 4.49Å; M81-W312 HydrophobicContact CE-CE3 3.65Å; M81-W312 HydrophobicContact CE-CZ3 4.34Å; M81-A315 HydrophobicContact CG-CB 4.18Å; M81-A316 HydrophobicContact CB-CB 4.43Å; M81-A316 HydrophobicContact CE-CB 4.39Å; M81-A316 HydrophobicContact CG-CB 3.84Å; M81-A316 HydrophobicContact SD-CB 3.49Å; M81-A316 WeakPolarHBondContact SD-CB 3.47Å; M81-I319 HydrophobicContact CB-CB 4.5Å; M81-I319 HydrophobicContact CB-CG1 4.02Å; M81-L536 HydrophobicContact CE-CD1 3.94Å; M81-L536 HydrophobicContact CE-CG 4.4Å; M81-L536 HydrophobicContact SD-CD1 3.62Å; M81-L536 HydrophobicContact SD-CD2 3.91Å; M81-L536 HydrophobicContact SD-CG 4.09Å
82	L	96.4	Very high	95.9	Very high	20 Å²	20	19 Å²	19	11%	0.105	11%	0.113	C	C	.	.	I	π-helix	trans	-58	-50.7	169.8	179.1	63.9	0	0	0	111.2	Y78 A79 I80 G86 L87 I319 L323 C351 C355	Y78-L82 WeakPolarHBondContact O-CB 3.29Å; Y78-L82 PolarHBondContact O-N 2.89Å; A79-L82 WeakPolarHBondContact O-CB 3.17Å; A79-L82 PolarHBondContact O-N 3.31Å; I80-L82 VanDerWaalsContact C-N 3.32Å; I80-L82 PolarHBondContact O-N 3.45Å; L82-G86 PolarHBondContact O-N 3.44Å; L82-L87 WeakPolarHBondContact O-CB 3.45Å; L82-L87 PolarHBondContact O-N 3.02Å; L82-I319 HydrophobicContact CB-CD1 3.75Å; L82-I319 HydrophobicContact CB-CG1 4.47Å; L82-I319 HydrophobicContact CD1-CD1 4.09Å; L82-I319 HydrophobicContact CG-CD1 4.47Å; L82-L323 HydrophobicContact CD1-CD1 3.83Å; L82-C351 HydrophobicContact CD1-CB 4.2Å; L82-C355 HydrophobicContact CD2-CB 4.21Å; L82-C355 VanDerWaalsContact CD2-SG 3.51Å
83	A	96.8	Very high	96.1	Very high	27 Å²	27	18.5 Å²	18.5	22%	0.223	11%	0.107	C	C	.	.	I	π-helix	trans	-72	-34.5	-173.3	0	0	0	0	0	113.3	A79 I80 P88 W524	A79-A83 WeakPolarHBondContact O-CB 3.37Å; A79-A83 PolarHBondContact O-N 3.09Å; I80-A83 PolarHBondContact O-N 3.45Å; A83-P88 WeakPolarHBondContact O-CD 3.43Å; A83-P88 WeakPolarHBondContact O-CG 3.46Å; A83-W524 HydrophobicContact CB-CZ2 4.02Å; A83-W524 PolarHBondContact O-NE1 2.92Å
84	L	95.3	Very high	96.3	Very high	47 Å²	47	18.5 Å²	18.5	25%	0.246	11%	0.107	C	C	.	.	I	π-helix	trans	-96.2	-20.7	-173.8	-62.4	-174	0	0	0	114.4	I80 I532 T533 L536	I80-L84 HydrophobicContact CG2-CD1 3.52Å; I80-L84 HydrophobicContact CG2-CG 4.08Å; I80-L84 WeakPolarHBondContact O-CB 3.3Å; I80-L84 WeakPolarHBondContact O-CG 3.25Å; I80-L84 PolarHBondContact O-N 3.01Å; L84-I532 HydrophobicContact CB-CG2 3.94Å; L84-I532 HydrophobicContact CD1-CG2 4.04Å; L84-I532 HydrophobicContact CD2-CD1 4.19Å; L84-I532 HydrophobicContact CD2-CG2 4.26Å; L84-I532 HydrophobicContact CG-CG2 4.3Å; L84-T533 PolarHBondContact O-OG1 3.01Å; L84-L536 HydrophobicContact CB-CD1 4.39Å
85	A	92.3	Very high	96.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	I	π-helix	trans	-133.2	-54.1	-176.1	0	0	0	0	0	112.9	M81 L89 F320 T533 L536	M81-A85 WeakPolarHBondContact O-CB 3.17Å; M81-A85 PolarHBondContact O-N 3.17Å; A85-L89 WeakPolarHBondContact O-CG 3.42Å; A85-L89 PolarHBondContact O-N 3.42Å; A85-L89 VanDerWaalsContact O-N 3.17Å; A85-F320 HydrophobicContact CB-CE2 3.95Å; A85-F320 HydrophobicContact CB-CZ 3.92Å; A85-T533 HydrophobicContact CB-CG2 4.21Å; A85-L536 HydrophobicContact CB-CD1 4.44Å; A85-L536 HydrophobicContact CB-CD2 3.79Å
86	G	95.4	Very high	96.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-59.9	-61.3	-175.4	0	0	0	0	0	113.3	M81 L82 L89 F90	M81-G86 PolarHBondContact O-N 2.98Å; L82-G86 PolarHBondContact O-N 3.44Å; G86-L89 PolarHBondContact O-N 2.88Å; G86-F90 VanDerWaalsContact O-CB 3.29Å; G86-F90 WeakPolarHBondContact O-CB 3.34Å; G86-F90 PolarHBondContact O-N 3.27Å
87	L	97.1	Very high	96.6	Very high	31 Å²	31	12.7 Å²	12.7	16%	0.162	8%	0.077	C	C	.	.	H	α-helix	trans	-62.8	-44	-178.2	177.9	66.4	0	0	0	112.9	L82 L89 F90 F91 A347 I348 C351 W525	L82-L87 WeakPolarHBondContact O-CB 3.45Å; L82-L87 PolarHBondContact O-N 3.02Å; L87-L89 PolarHBondContact O-N 3.48Å; L87-F90 PolarHBondContact O-N 2.99Å; L87-F91 WeakPolarHBondContact O-CB 3.42Å; L87-F91 PolarHBondContact O-N 2.68Å; L87-A347 HydrophobicContact CD1-CB 4.45Å; L87-I348 HydrophobicContact CD1-CG1 4.21Å; L87-I348 HydrophobicContact CD2-CG1 4.46Å; L87-C351 HydrophobicContact CD1-CB 3.97Å; L87-W525 HydrophobicContact CD1-CH2 4.34Å; L87-W525 HydrophobicContact CD2-CH2 4.09Å; L87-W525 HydrophobicContact CG-CH2 3.8Å; L87-W525 HydrophobicContact CG-CZ3 4.29Å
88	P	97.2	Very high	96.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-51.7	-48.6	171.7	-31.4	38.2	0	0	0	114.5	A83 L92 C528 W529	A83-P88 WeakPolarHBondContact O-CD 3.43Å; A83-P88 WeakPolarHBondContact O-CG 3.46Å; P88-L92 WeakPolarHBondContact O-CB 3.47Å; P88-L92 PolarHBondContact O-N 3.03Å; P88-L92 VanDerWaalsContact O-N 3.15Å; P88-C528 HydrophobicContact CB-CB 3.82Å; P88-C528 HydrophobicContact CG-CB 3.6Å; P88-W529 PolarHBondContact O-NE1 2.92Å
89	L	96.9	Very high	96.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-75.4	-39.2	-178.1	-70.2	167.8	0	0	0	112.3	A85 G86 L87 F91 L92 E93 F320 V325 I494 T533 L537	A85-L89 WeakPolarHBondContact O-CG 3.42Å; A85-L89 PolarHBondContact O-N 3.42Å; A85-L89 VanDerWaalsContact O-N 3.17Å; G86-L89 PolarHBondContact O-N 2.88Å; L87-L89 PolarHBondContact O-N 3.48Å; L89-F91 VanDerWaalsContact C-N 3.31Å; L89-F91 PolarHBondContact O-N 3.13Å; L89-L92 WeakPolarHBondContact O-CB 3.46Å; L89-L92 PolarHBondContact O-N 3.49Å; L89-L92 VanDerWaalsContact O-N 3.11Å; L89-E93 PolarHBondContact O-N 2.93Å; L89-F320 HydrophobicContact CD1-CE1 3.35Å; L89-F320 HydrophobicContact CD1-CZ 3.63Å; L89-V325 HydrophobicContact CB-CG1 3.38Å; L89-V325 HydrophobicContact CB-CG2 4.39Å; L89-V325 HydrophobicContact CD1-CG1 3.78Å; L89-V325 HydrophobicContact CG-CG1 4.17Å; L89-I494 HydrophobicContact CD2-CB 4.2Å; L89-I494 HydrophobicContact CD2-CD1 3.89Å; L89-I494 HydrophobicContact CD2-CG1 4.41Å; L89-T533 HydrophobicContact CD1-CG2 3.71Å; L89-T533 HydrophobicContact CD2-CG2 4.16Å; L89-T533 HydrophobicContact CG-CG2 3.79Å; L89-L537 HydrophobicContact CD1-CD1 4.04Å
90	F	97.9	Very high	96.7	Very high	1 Å²	1	9.7 Å²	9.7	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-57.8	-45.8	176	-166.5	-79.6	0	0	0	111.5	M49 G86 L87 L92 C94 L323 V325 L330 A347 V350 C351	M49-F90 HydrophobicContact CE-CE1 3.87Å; M49-F90 HydrophobicContact CE-CE2 4.41Å; M49-F90 HydrophobicContact CE-CZ 3.52Å; G86-F90 VanDerWaalsContact O-CB 3.29Å; G86-F90 WeakPolarHBondContact O-CB 3.34Å; G86-F90 PolarHBondContact O-N 3.27Å; L87-F90 PolarHBondContact O-N 2.99Å; F90-L92 VanDerWaalsContact C-N 3.34Å; F90-C94 WeakPolarHBondContact CE1-SG 3.17Å; F90-C94 WeakPolarHBondContact O-CB 3.35Å; F90-C94 PolarHBondContact O-N 3.27Å; F90-C94 PolarHBondContact O-SG 3.22Å; F90-L323 HydrophobicContact CD2-CB 4.08Å; F90-L323 HydrophobicContact CD2-CD2 4.43Å; F90-V325 HydrophobicContact CB-CG2 4.15Å; F90-V325 HydrophobicContact CD2-CG2 4.21Å; F90-L330 HydrophobicContact CD2-CD1 3.45Å; F90-L330 VanDerWaalsContact CD2-CD1 3.45Å; F90-L330 HydrophobicContact CD2-CD2 4.01Å; F90-L330 HydrophobicContact CD2-CG 4.4Å; F90-L330 HydrophobicContact CE2-CD1 3.74Å; F90-L330 HydrophobicContact CE2-CD2 3.36Å; F90-L330 HydrophobicContact CE2-CG 4.21Å; F90-L330 HydrophobicContact CG-CD1 4.06Å; F90-L330 HydrophobicContact CZ-CD2 3.72Å; F90-A347 HydrophobicContact CD1-CB 3.78Å; F90-A347 HydrophobicContact CE1-CB 4.23Å; F90-V350 HydrophobicContact CE1-CB 4.19Å; F90-V350 HydrophobicContact CE1-CG1 4.29Å; F90-V350 HydrophobicContact CE2-CG1 4.23Å; F90-V350 HydrophobicContact CZ-CB 3.96Å; F90-V350 HydrophobicContact CZ-CG1 3.55Å; F90-C351 VanDerWaalsContact CG-SG 3.53Å
91	F	98.2	Very high	96.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.2	-38	176.4	178.2	-132.3	0	0	0	112.4	L87 L89 S95 F344 A347 I510 I514 W522 W525 W529	L87-F91 WeakPolarHBondContact O-CB 3.42Å; L87-F91 PolarHBondContact O-N 2.68Å; L89-F91 VanDerWaalsContact C-N 3.31Å; L89-F91 PolarHBondContact O-N 3.13Å; F91-S95 WeakPolarHBondContact CD2-OG 3.44Å; F91-S95 WeakPolarHBondContact CE2-OG 3.44Å; F91-S95 WeakPolarHBondContact O-CB 3.35Å; F91-S95 PolarHBondContact O-N 3.48Å; F91-S95 PolarHBondContact O-OG 3.34Å; F91-F344 HydrophobicContact CD2-CB 4.31Å; F91-F344 HydrophobicContact CE1-CD2 4.26Å; F91-F344 HydrophobicContact CE2-CB 3.58Å; F91-F344 HydrophobicContact CE2-CD2 4.25Å; F91-F344 HydrophobicContact CE2-CG 4.44Å; F91-F344 HydrophobicContact CZ-CB 3.88Å; F91-F344 HydrophobicContact CZ-CD2 4.04Å; F91-F344 HydrophobicContact CZ-CG 4.47Å; F91-A347 HydrophobicContact CB-CB 4.05Å; F91-A347 HydrophobicContact CD2-CB 4.15Å; F91-I510 HydrophobicContact CE1-CD1 4.27Å; F91-I510 HydrophobicContact CZ-CD1 4.29Å; F91-I510 HydrophobicContact CZ-CG2 3.89Å; F91-I514 HydrophobicContact CZ-CD1 4.43Å; F91-W522 HydrophobicContact CE1-CH2 4.46Å; F91-W522 HydrophobicContact CE1-CZ3 4.12Å; F91-W525 HydrophobicContact CB-CE3 4.42Å; F91-W525 HydrophobicContact CB-CH2 4.03Å; F91-W525 HydrophobicContact CB-CZ3 3.61Å; F91-W525 AromaticContact CD1-CD2 3.94Å; F91-W525 HydrophobicContact CD1-CD2 3.94Å; F91-W525 AromaticContact CD1-CE3 3.53Å; F91-W525 HydrophobicContact CD1-CE3 3.53Å; F91-W525 AromaticContact CD1-CH2 3.88Å; F91-W525 HydrophobicContact CD1-CH2 3.88Å; F91-W525 HydrophobicContact CD1-CZ2 4.33Å; F91-W525 AromaticContact CD1-CZ3 3.45Å; F91-W525 HydrophobicContact CD1-CZ3 3.45Å; F91-W525 VanDerWaalsContact CD1-CZ3 3.45Å; F91-W525 HydrophobicContact CE1-CD2 4.25Å; F91-W525 HydrophobicContact CE1-CE3 4.28Å; F91-W525 HydrophobicContact CE1-CZ3 4.46Å; F91-W525 HydrophobicContact CG-CE3 4.41Å; F91-W525 HydrophobicContact CG-CH2 4.16Å; F91-W525 AromaticContact CG-CZ3 3.89Å; F91-W525 HydrophobicContact CG-CZ3 3.89Å; F91-W529 AromaticContact CD1-CH2 3.85Å; F91-W529 HydrophobicContact CD1-CH2 3.85Å; F91-W529 AromaticContact CD1-CZ2 3.62Å; F91-W529 HydrophobicContact CD1-CZ2 3.62Å; F91-W529 AromaticContact CE1-CH2 3.84Å; F91-W529 HydrophobicContact CE1-CH2 3.84Å; F91-W529 HydrophobicContact CE1-CZ2 4.11Å
92	L	97.9	Very high	96.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.5	-51.7	176.6	179.9	157	0	0	0	111.1	P88 L89 F90 S95 L96 E493 I497 I498 F506 W529	P88-L92 WeakPolarHBondContact O-CB 3.47Å; P88-L92 PolarHBondContact O-N 3.03Å; P88-L92 VanDerWaalsContact O-N 3.15Å; L89-L92 WeakPolarHBondContact O-CB 3.46Å; L89-L92 PolarHBondContact O-N 3.49Å; L89-L92 VanDerWaalsContact O-N 3.11Å; F90-L92 VanDerWaalsContact C-N 3.34Å; L92-S95 PolarHBondContact O-N 2.81Å; L92-L96 VanDerWaalsContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CB 3.35Å; L92-L96 PolarHBondContact O-N 3.45Å; L92-E493 HydrophobicContact CD2-CG 4.21Å; L92-I497 HydrophobicContact CD2-CD1 3.66Å; L92-I498 HydrophobicContact CD1-CD1 3.94Å; L92-I498 HydrophobicContact CD1-CG1 4.11Å; L92-F506 HydrophobicContact CB-CE1 4.46Å; L92-F506 HydrophobicContact CG-CE1 3.89Å; L92-F506 HydrophobicContact CG-CZ 4.28Å; L92-W529 HydrophobicContact CB-CZ2 4.06Å; L92-W529 HydrophobicContact CD1-CG 4.5Å
93	E	97.8	Very high	96.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-64.4	-44.1	179.7	-86.2	-177	-109.7	0	0	113	L89 S95 L96 G97 V325 A326 L330 V331 E493	L89-E93 PolarHBondContact O-N 2.93Å; E93-S95 VanDerWaalsContact C-N 3.28Å; E93-S95 PolarHBondContact O-N 3.43Å; E93-L96 PolarHBondContact O-N 2.84Å; E93-G97 PolarHBondContact O-N 2.87Å; E93-V325 WeakPolarHBondContact OE1-CG1 3.27Å; E93-A326 WeakPolarHBondContact OE1-CA 3.33Å; E93-A326 PolarHBondContact OE1-N 3.15Å; E93-L330 HydrophobicContact CB-CB 4.01Å; E93-L330 HydrophobicContact CB-CD1 4.34Å; E93-V331 HydrophobicContact CB-CG2 3.99Å; E93-V331 HydrophobicContact CG-CG2 3.92Å; E93-E493 VanDerWaalsContact CG-OE1 3.3Å; E93-E493 WeakPolarHBondContact CG-OE1 3.49Å
94	C	98	Very high	96.5	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-61.5	-41.9	178.2	-67.9	0	0	0	0	111.1	M49 F90 Q98 S334	M49-C94 VanDerWaalsContact CE-SG 3.53Å; F90-C94 WeakPolarHBondContact CE1-SG 3.17Å; F90-C94 WeakPolarHBondContact O-CB 3.35Å; F90-C94 PolarHBondContact O-N 3.27Å; F90-C94 PolarHBondContact O-SG 3.22Å; C94-Q98 VanDerWaalsContact O-CB 3.28Å; C94-Q98 WeakPolarHBondContact O-CB 3.41Å; C94-Q98 PolarHBondContact O-N 3.36Å; C94-S334 WeakPolarHBondContact CA-OG 3.39Å; C94-S334 WeakPolarHBondContact O-CB 3.41Å
95	S	98.2	Very high	96.6	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-67.1	-42.6	177.3	-61.2	0	0	0	0	111.8	F91 L92 E93 Q98 F99 C343 M513	F91-S95 WeakPolarHBondContact CD2-OG 3.44Å; F91-S95 WeakPolarHBondContact CE2-OG 3.44Å; F91-S95 WeakPolarHBondContact O-CB 3.35Å; F91-S95 PolarHBondContact O-N 3.48Å; F91-S95 PolarHBondContact O-OG 3.34Å; L92-S95 PolarHBondContact O-N 2.81Å; E93-S95 VanDerWaalsContact C-N 3.28Å; E93-S95 PolarHBondContact O-N 3.43Å; S95-Q98 PolarHBondContact O-N 2.97Å; S95-F99 WeakPolarHBondContact O-CB 3.32Å; S95-F99 PolarHBondContact O-N 3.45Å; S95-C343 PolarHBondContact OG-SG 3.15Å; S95-C343 VanDerWaalsContact OG-SG 3.39Å; S95-M513 WeakPolarHBondContact O-CE 3.44Å
96	L	97.9	Very high	96.8	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-61.9	-48.1	179	-176.6	71.9	0	0	0	111.4	L92 E93 A100 V107 I110 I497 F506 W606	L92-L96 VanDerWaalsContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CB 3.35Å; L92-L96 PolarHBondContact O-N 3.45Å; E93-L96 PolarHBondContact O-N 2.84Å; L96-A100 PolarHBondContact O-N 3.46Å; L96-V107 HydrophobicContact CD1-CG2 3.9Å; L96-V107 HydrophobicContact CD2-CG1 3.92Å; L96-V107 HydrophobicContact CD2-CG2 3.82Å; L96-V107 HydrophobicContact CG-CG2 3.47Å; L96-V107 VanDerWaalsContact CG-CG2 3.47Å; L96-I110 HydrophobicContact CD1-CD1 3.85Å; L96-I497 HydrophobicContact CD1-CD1 4.31Å; L96-I497 HydrophobicContact CD2-CD1 3.62Å; L96-I497 HydrophobicContact CG-CD1 4.48Å; L96-F506 HydrophobicContact CB-CE2 4.23Å; L96-F506 HydrophobicContact CB-CZ 4.15Å; L96-F506 HydrophobicContact CD1-CE2 3.91Å; L96-W606 HydrophobicContact CD1-CH2 4.09Å
97	G	97.2	Very high	96.8	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-62	-48.7	177.2	0	0	0	0	0	112.3	E93 S101 S335	E93-G97 PolarHBondContact O-N 2.87Å; G97-S101 WeakPolarHBondContact O-CA 3.35Å; G97-S101 PolarHBondContact O-N 2.99Å; G97-S335 VanDerWaalsContact O-CA 3.31Å; G97-S335 WeakPolarHBondContact O-CA 3.12Å
98	Q	97.9	Very high	96.8	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-63.5	-44.1	179.8	-178	176.1	-56.5	0	0	112.2	C94 S95 S101 S334 N337 F339 N341 M513	C94-Q98 VanDerWaalsContact O-CB 3.28Å; C94-Q98 WeakPolarHBondContact O-CB 3.41Å; C94-Q98 PolarHBondContact O-N 3.36Å; S95-Q98 PolarHBondContact O-N 2.97Å; Q98-S101 PolarHBondContact O-N 3.01Å; Q98-S101 PolarHBondContact O-OG 3.45Å; Q98-S334 WeakPolarHBondContact CA-O 3.25Å; Q98-N337 HydrophobicContact CB-CB 4.41Å; Q98-N337 HydrophobicContact CG-CB 3.8Å; Q98-N337 PolarHBondContact OE1-ND2 2.95Å; Q98-N337 VanDerWaalsContact OE1-ND2 3.08Å; Q98-F339 PolarHBondContact NE2-O 3.46Å; Q98-F339 VanDerWaalsContact NE2-O 3.1Å; Q98-N341 PolarHBondContact NE2-O 3.36Å; Q98-N341 PolarHBondContact OE1-ND2 2.97Å; Q98-M513 HydrophobicContact CB-SD 4.02Å; Q98-M513 HydrophobicContact CG-SD 3.75Å
99	F	97.2	Very high	96.7	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-61.1	-50.3	-178.4	177.2	-100.7	0	0	0	111.7	S95 F339 D509 M512 M513 W606 P608 Y618	S95-F99 WeakPolarHBondContact O-CB 3.32Å; S95-F99 PolarHBondContact O-N 3.45Å; F99-F339 AromaticContact CD2-CE2 3.89Å; F99-F339 HydrophobicContact CD2-CE2 3.89Å; F99-F339 HydrophobicContact CD2-CZ 4.1Å; F99-F339 HydrophobicContact CE2-CE2 4.33Å; F99-F339 HydrophobicContact CE2-CZ 4.25Å; F99-D509 HydrophobicContact CD1-CB 4.38Å; F99-D509 HydrophobicContact CD2-CB 3.81Å; F99-D509 WeakPolarHBondContact CD2-O 3.14Å; F99-D509 HydrophobicContact CE1-CB 4.16Å; F99-D509 HydrophobicContact CE2-CB 3.55Å; F99-D509 HydrophobicContact CG-CB 4.21Å; F99-D509 HydrophobicContact CZ-CB 3.73Å; F99-D509 WeakPolarHBondContact CZ-OD1 3.47Å; F99-M512 HydrophobicContact CE2-CE 4.41Å; F99-M512 HydrophobicContact CE2-SD 4.17Å; F99-M513 WeakPolarHBondContact CA-SD 3.29Å; F99-M513 HydrophobicContact CB-CE 3.81Å; F99-M513 HydrophobicContact CB-SD 3.71Å; F99-M513 HydrophobicContact CD2-CE 4.47Å; F99-M513 HydrophobicContact CD2-CG 4.3Å; F99-M513 HydrophobicContact CD2-SD 4.35Å; F99-M513 PolarHBondContact N-SD 2.93Å; F99-M513 VanDerWaalsContact N-SD 3.44Å; F99-W606 HydrophobicContact CD1-CH2 4.45Å; F99-W606 HydrophobicContact CD1-CZ2 4.02Å; F99-W606 AromaticContact CE1-CZ2 3.95Å; F99-W606 HydrophobicContact CE1-CZ2 3.95Å; F99-P608 HydrophobicContact CD2-CG 4.34Å; F99-P608 HydrophobicContact CE1-CG 4.36Å; F99-P608 HydrophobicContact CE2-CG 3.71Å; F99-P608 HydrophobicContact CZ-CG 3.73Å; F99-P608 WeakPolarHBondContact O-CA 3.16Å; F99-Y618 HydrophobicContact CE2-CE2 4.46Å; F99-Y618 HydrophobicContact CZ-CD2 4.38Å; F99-Y618 AromaticContact CZ-CE2 3.66Å; F99-Y618 HydrophobicContact CZ-CE2 3.66Å; F99-Y618 AromaticContact CZ-CZ 3.96Å
100	A	94.8	Very high	96.6	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-79.2	-24.5	-176.6	0	0	0	0	0	112.6	L96 L102 V107 W606 Y609	L96-A100 PolarHBondContact O-N 3.46Å; A100-L102 HydrophobicContact CB-CB 4.02Å; A100-L102 HydrophobicContact CB-CD1 4.19Å; A100-L102 HydrophobicContact CB-CG 4.11Å; A100-L102 WeakPolarHBondContact O-CG 3.37Å; A100-L102 PolarHBondContact O-N 3.18Å; A100-V107 HydrophobicContact CB-CG2 3.81Å; A100-W606 HydrophobicContact CB-CH2 3.8Å; A100-W606 HydrophobicContact CB-CZ3 3.84Å; A100-Y609 WeakPolarHBondContact O-CB 3.23Å
101	S	95.2	Very high	96.5	Very high	11 Å²	11	5.1 Å²	5.1	8%	0.077	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	40	-166.5	-49.2	0	0	0	0	112	R36 G97 Q98	R36-S101 PolarHBondContact NE-O 3.1Å; R36-S101 PolarHBondContact NH1-O 3.41Å; G97-S101 WeakPolarHBondContact O-CA 3.35Å; G97-S101 PolarHBondContact O-N 2.99Å; Q98-S101 PolarHBondContact O-N 3.01Å; Q98-S101 PolarHBondContact O-OG 3.45Å
102	L	94.2	Very high	96.3	Very high	11 Å²	11	6.1 Å²	6.1	6%	0.058	3%	0.03	C	C	.	.			trans	-125.3	150.3	179.8	-67.7	177.3	0	0	0	109.7	A100 S106 V107 S335 Y609	A100-L102 HydrophobicContact CB-CB 4.02Å; A100-L102 HydrophobicContact CB-CD1 4.19Å; A100-L102 HydrophobicContact CB-CG 4.11Å; A100-L102 WeakPolarHBondContact O-CG 3.37Å; A100-L102 PolarHBondContact O-N 3.18Å; L102-S106 WeakPolarHBondContact CD1-O 3.29Å; L102-V107 HydrophobicContact CB-CB 4.31Å; L102-S335 WeakPolarHBondContact O-CB 3.33Å; L102-Y609 HydrophobicContact CD2-CD2 4.24Å
103	G	95	Very high	96.2	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.			trans	-75.3	177.2	173.1	0	0	0	0	0	113.1	V105 S106 V107 D437	G103-V105 VanDerWaalsContact C-N 3.3Å; G103-V105 PolarHBondContact O-N 3.18Å; G103-V105 VanDerWaalsContact O-N 3.15Å; G103-S106 PolarHBondContact O-N 3.15Å; G103-V107 WeakPolarHBondContact O-CB 3.48Å; G103-V107 PolarHBondContact O-N 3.04Å; G103-D437 VanDerWaalsContact CA-OD2 3.24Å; G103-D437 WeakPolarHBondContact CA-OD2 3.42Å; G103-D437 PolarHBondContact N-OD2 3.44Å
104	P	95.9	Very high	96.1	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.7	-164.4	26.3	-37.9	0	0	0	114.7	W108 G118 V122 T430 T434	P104-W108 PolarHBondContact O-NE1 3.28Å; P104-G118 VanDerWaalsContact O-CA 3.25Å; P104-G118 WeakPolarHBondContact O-CA 3.4Å; P104-V122 HydrophobicContact CB-CG2 4.38Å; P104-V122 HydrophobicContact CG-CG2 3.61Å; P104-T430 HydrophobicContact CG-CG2 3.89Å; P104-T434 WeakPolarHBondContact CG-OG1 3.4Å
105	V	97	Very high	96	Very high	12 Å²	12	9.9 Å²	9.9	7%	0.073	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-42.2	175.3	-179	0	0	0	0	111.7	G103 V107 W108 Q115 I119 V122 T434	G103-V105 VanDerWaalsContact C-N 3.3Å; G103-V105 PolarHBondContact O-N 3.18Å; G103-V105 VanDerWaalsContact O-N 3.15Å; V105-V107 VanDerWaalsContact C-N 3.34Å; V105-W108 PolarHBondContact O-N 3.02Å; V105-Q115 HydrophobicContact CG1-CG 4.24Å; V105-I119 HydrophobicContact CG1-CG1 3.99Å; V105-I119 HydrophobicContact CG2-CG1 4.17Å; V105-V122 HydrophobicContact CG2-CG2 3.97Å; V105-T434 HydrophobicContact CB-CG2 4.05Å; V105-T434 HydrophobicContact CG2-CG2 3.53Å
106	S	95.6	Very high	95.9	Very high	3 Å²	3	9.9 Å²	9.9	2%	0.021	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-75.1	-26.7	-174.1	-66.5	0	0	0	0	112.6	L102 G103 W108 R109 D437	L102-S106 WeakPolarHBondContact CD1-O 3.29Å; G103-S106 PolarHBondContact O-N 3.15Å; S106-W108 PolarHBondContact O-N 3.4Å; S106-R109 WeakPolarHBondContact O-CB 3.42Å; S106-R109 WeakPolarHBondContact O-CD 3.11Å; S106-R109 WeakPolarHBondContact O-CG 3.25Å; S106-R109 PolarHBondContact O-N 3.14Å; S106-R109 VanDerWaalsContact O-N 3.08Å; S106-D437 VanDerWaalsContact CB-OD2 3.31Å; S106-D437 WeakPolarHBondContact CB-OD2 3.28Å; S106-D437 WeakPolarHBondContact OG-CB 3.28Å; S106-D437 PolarHBondContact OG-OD2 3.22Å
107	V	96.5	Very high	95.9	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.006	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-62.5	-24	177.5	81.9	0	0	0	0	112.8	L96 A100 L102 G103 V105 R109 I110 V331 W606	L96-V107 HydrophobicContact CD1-CG2 3.9Å; L96-V107 HydrophobicContact CD2-CG1 3.92Å; L96-V107 HydrophobicContact CD2-CG2 3.82Å; L96-V107 HydrophobicContact CG-CG2 3.47Å; L96-V107 VanDerWaalsContact CG-CG2 3.47Å; A100-V107 HydrophobicContact CB-CG2 3.81Å; L102-V107 HydrophobicContact CB-CB 4.31Å; G103-V107 WeakPolarHBondContact O-CB 3.48Å; G103-V107 PolarHBondContact O-N 3.04Å; V105-V107 VanDerWaalsContact C-N 3.34Å; V107-R109 PolarHBondContact O-N 3.36Å; V107-I110 WeakPolarHBondContact O-CG2 3.33Å; V107-I110 PolarHBondContact O-N 3.05Å; V107-I110 VanDerWaalsContact O-N 3.14Å; V107-V331 HydrophobicContact CB-CG1 4.26Å; V107-V331 HydrophobicContact CG1-CG1 4.05Å; V107-V331 HydrophobicContact CG2-CG1 4.46Å; V107-W606 HydrophobicContact CG2-CH2 4.13Å; V107-W606 HydrophobicContact CG2-CZ3 4.24Å; V107-W606 WeakPolarHBondContact O-CZ3 3.37Å
108	W	96.9	Very high	95.9	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.008	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-69.7	4.7	173.8	-67.5	98.7	0	0	0	114.8	P104 V105 S106 I110 L111 F114 Q115 V117 G118 M121 E493	P104-W108 PolarHBondContact O-NE1 3.28Å; V105-W108 PolarHBondContact O-N 3.02Å; S106-W108 PolarHBondContact O-N 3.4Å; W108-I110 HydrophobicContact CE3-CG2 4.49Å; W108-I110 PolarHBondContact O-N 2.88Å; W108-L111 HydrophobicContact CE3-CB 4.43Å; W108-L111 CarbonylContact O-C 3.58Å; W108-L111 PolarHBondContact O-N 2.67Å; W108-F114 HydrophobicContact CE3-CB 3.63Å; W108-F114 HydrophobicContact CH2-CB 4.27Å; W108-F114 HydrophobicContact CZ3-CB 3.45Å; W108-F114 VanDerWaalsContact CZ3-CB 3.45Å; W108-F114 HydrophobicContact CZ3-CD2 4.1Å; W108-F114 HydrophobicContact CZ3-CG 4.32Å; W108-Q115 HydrophobicContact CB-CB 4.11Å; W108-Q115 HydrophobicContact CB-CG 4.35Å; W108-V117 HydrophobicContact CD2-CB 4.44Å; W108-V117 HydrophobicContact CH2-CB 3.75Å; W108-V117 HydrophobicContact CH2-CG1 3.76Å; W108-V117 HydrophobicContact CH2-CG2 4.01Å; W108-V117 HydrophobicContact CZ2-CB 3.41Å; W108-V117 VanDerWaalsContact CZ2-CB 3.41Å; W108-V117 HydrophobicContact CZ2-CG1 3.26Å; W108-V117 HydrophobicContact CZ2-CG2 4.2Å; W108-G118 VanDerWaalsContact NE1-N 3.17Å; W108-M121 HydrophobicContact CZ2-CE 4.45Å; W108-E493 HydrophobicContact CH2-CB 4.14Å; W108-E493 HydrophobicContact CH2-CG 4.4Å; W108-E493 HydrophobicContact CZ2-CB 4.26Å; W108-E493 HydrophobicContact CZ2-CG 4.34Å
109	R	94.8	Very high	95.8	Very high	65 Å²	65	11.6 Å²	11.6	25%	0.245	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-56.6	-22.6	160.3	-72.4	171.6	-162.1	-168.5	6.6	112	S106 V107 L111 A603 N605 W606	S106-R109 WeakPolarHBondContact O-CB 3.42Å; S106-R109 WeakPolarHBondContact O-CD 3.11Å; S106-R109 WeakPolarHBondContact O-CG 3.25Å; S106-R109 PolarHBondContact O-N 3.14Å; S106-R109 VanDerWaalsContact O-N 3.08Å; V107-R109 PolarHBondContact O-N 3.36Å; R109-L111 PolarHBondContact O-N 2.92Å; R109-A603 HydrophobicContact CB-CB 4.15Å; R109-A603 HydrophobicContact CG-CB 4.5Å; R109-A603 WeakPolarHBondContact O-CB 3.23Å; R109-A603 PolarHBondContact O-N 2.86Å; R109-N605 PolarHBondContact NH1-ND2 2.95Å; R109-W606 HydrophobicContact CB-CE3 3.84Å; R109-W606 HydrophobicContact CB-CZ3 4.49Å
110	I	94.9	Very high	95.8	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-57.8	-34.9	169.8	-163.4	173	0	0	0	112.7	L96 V107 W108 Y501 P602 W606	L96-I110 HydrophobicContact CD1-CD1 3.85Å; V107-I110 WeakPolarHBondContact O-CG2 3.33Å; V107-I110 PolarHBondContact O-N 3.05Å; V107-I110 VanDerWaalsContact O-N 3.14Å; W108-I110 HydrophobicContact CE3-CG2 4.49Å; W108-I110 PolarHBondContact O-N 2.88Å; I110-Y501 HydrophobicContact CD1-CD1 3.58Å; I110-Y501 HydrophobicContact CD1-CD2 3.87Å; I110-Y501 HydrophobicContact CD1-CE1 3.76Å; I110-Y501 HydrophobicContact CD1-CE2 4.04Å; I110-Y501 HydrophobicContact CD1-CG 3.62Å; I110-Y501 HydrophobicContact CG1-CD1 3.96Å; I110-Y501 HydrophobicContact CG1-CD2 3.23Å; I110-Y501 HydrophobicContact CG1-CE1 4.14Å; I110-Y501 HydrophobicContact CG1-CE2 3.45Å; I110-Y501 VanDerWaalsContact CG1-CE2 3.45Å; I110-Y501 HydrophobicContact CG1-CG 3.49Å; I110-Y501 VanDerWaalsContact CG1-CG 3.49Å; I110-P602 WeakPolarHBondContact O-CA 3.39Å; I110-W606 HydrophobicContact CB-CD2 3.86Å; I110-W606 HydrophobicContact CB-CE3 3.9Å; I110-W606 HydrophobicContact CB-CH2 3.6Å; I110-W606 HydrophobicContact CB-CZ2 3.56Å; I110-W606 HydrophobicContact CB-CZ3 3.77Å; I110-W606 HydrophobicContact CD1-CH2 4.03Å; I110-W606 HydrophobicContact CD1-CZ2 3.49Å; I110-W606 VanDerWaalsContact CD1-CZ2 3.49Å; I110-W606 HydrophobicContact CG1-CD2 4.21Å; I110-W606 HydrophobicContact CG1-CH2 4.05Å; I110-W606 HydrophobicContact CG1-CZ2 3.5Å; I110-W606 VanDerWaalsContact CG1-CZ2 3.5Å; I110-W606 HydrophobicContact CG2-CH2 4.5Å
111	L	95.9	Very high	95.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-150.1	84	-178.1	179	58.7	0	0	0	109.6	W108 R109 L113 F114 G496 I500 C600	W108-L111 HydrophobicContact CE3-CB 4.43Å; W108-L111 CarbonylContact O-C 3.58Å; W108-L111 PolarHBondContact O-N 2.67Å; R109-L111 PolarHBondContact O-N 2.92Å; L111-L113 HydrophobicContact CD1-CB 4.37Å; L111-L113 PolarHBondContact O-N 2.94Å; L111-L113 VanDerWaalsContact O-N 3.1Å; L111-F114 HydrophobicContact CD2-CB 3.91Å; L111-F114 HydrophobicContact CD2-CD1 4.34Å; L111-F114 HydrophobicContact CD2-CD2 3.59Å; L111-F114 HydrophobicContact CD2-CE2 4.17Å; L111-F114 HydrophobicContact CD2-CG 3.68Å; L111-F114 HydrophobicContact CG-CB 4.08Å; L111-F114 HydrophobicContact CG-CG 4.23Å; L111-F114 PolarHBondContact O-N 3.3Å; L111-G496 VanDerWaalsContact CD2-CA 3.45Å; L111-I500 HydrophobicContact CD1-CB 4.41Å; L111-I500 HydrophobicContact CD1-CG2 3.57Å; L111-I500 HydrophobicContact CD2-CB 3.99Å; L111-I500 HydrophobicContact CD2-CD1 3.95Å; L111-I500 HydrophobicContact CD2-CG2 4.05Å; L111-I500 HydrophobicContact CG-CG2 4.47Å; L111-C600 HydrophobicContact CD1-CB 4.38Å
112	P	94.1	Very high	95.8	Very high	21 Å²	21	11.9 Å²	11.9	14%	0.136	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-55.8	-31.9	-173.4	-28.8	36.2	0	0	0	114.5	F114 Q115 C599 R601 A603	P112-F114 PolarHBondContact O-N 2.91Å; P112-Q115 WeakPolarHBondContact O-CB 3.45Å; P112-Q115 PolarHBondContact O-N 3.01Å; P112-C599 WeakPolarHBondContact CD-O 3.48Å; P112-R601 WeakPolarHBondContact CD-O 3.2Å; P112-A603 HydrophobicContact CG-CB 4.15Å
113	L	94.6	Very high	95.9	Very high	18 Å²	18	12.7 Å²	12.7	9%	0.094	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-55.5	-36.9	176.2	-172.1	70.2	0	0	0	112.4	L111 A581 I585 L596 C599	L111-L113 HydrophobicContact CD1-CB 4.37Å; L111-L113 PolarHBondContact O-N 2.94Å; L111-L113 VanDerWaalsContact O-N 3.1Å; L113-A581 HydrophobicContact CD1-CB 3.77Å; L113-A581 HydrophobicContact CG-CB 4.29Å; L113-I585 HydrophobicContact CD1-CD1 3.86Å; L113-I585 HydrophobicContact CD1-CG1 4.04Å; L113-L596 HydrophobicContact CD1-CD1 4.3Å; L113-L596 HydrophobicContact CD2-CD1 4.25Å; L113-C599 HydrophobicContact CB-CB 4.04Å; L113-C599 WeakPolarHBondContact CB-O 3.28Å; L113-C599 HydrophobicContact CD1-CB 4.11Å; L113-C599 PolarHBondContact N-O 3.29Å
114	F	96.4	Very high	95.8	Very high	32 Å²	32	12.7 Å²	12.7	14%	0.14	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-98.3	15.9	-176	-76.4	12.9	0	0	0	112.8	W108 L111 P112 G116 V117 L492 I500	W108-F114 HydrophobicContact CE3-CB 3.63Å; W108-F114 HydrophobicContact CH2-CB 4.27Å; W108-F114 HydrophobicContact CZ3-CB 3.45Å; W108-F114 VanDerWaalsContact CZ3-CB 3.45Å; W108-F114 HydrophobicContact CZ3-CD2 4.1Å; W108-F114 HydrophobicContact CZ3-CG 4.32Å; L111-F114 HydrophobicContact CD2-CB 3.91Å; L111-F114 HydrophobicContact CD2-CD1 4.34Å; L111-F114 HydrophobicContact CD2-CD2 3.59Å; L111-F114 HydrophobicContact CD2-CE2 4.17Å; L111-F114 HydrophobicContact CD2-CG 3.68Å; L111-F114 HydrophobicContact CG-CB 4.08Å; L111-F114 HydrophobicContact CG-CG 4.23Å; L111-F114 PolarHBondContact O-N 3.3Å; P112-F114 PolarHBondContact O-N 2.91Å; F114-G116 PolarHBondContact O-N 3.36Å; F114-V117 HydrophobicContact CB-CG2 4.1Å; F114-V117 WeakPolarHBondContact O-CB 3.37Å; F114-V117 WeakPolarHBondContact O-CG2 3.49Å; F114-V117 PolarHBondContact O-N 3.5Å; F114-L492 HydrophobicContact CD2-CB 4.39Å; F114-L492 WeakPolarHBondContact CD2-O 3.07Å; F114-L492 HydrophobicContact CE2-CB 4.35Å; F114-L492 HydrophobicContact CE2-CD2 4.07Å; F114-L492 HydrophobicContact CZ-CD2 4.19Å; F114-I500 HydrophobicContact CE1-CD1 4.42Å; F114-I500 HydrophobicContact CE2-CD1 3.91Å; F114-I500 HydrophobicContact CZ-CD1 3.75Å
115	Q	96	Very high	95.7	Very high	30 Å²	30	12.7 Å²	12.7	14%	0.14	6%	0.062	C	C	.	.	H	α-helix	trans	-54.6	-28.5	178	-177.1	169.9	49.2	0	0	113.9	V105 W108 P112 V117 G118 M580	V105-Q115 HydrophobicContact CG1-CG 4.24Å; W108-Q115 HydrophobicContact CB-CB 4.11Å; W108-Q115 HydrophobicContact CB-CG 4.35Å; P112-Q115 WeakPolarHBondContact O-CB 3.45Å; P112-Q115 PolarHBondContact O-N 3.01Å; Q115-V117 PolarHBondContact O-N 2.9Å; Q115-G118 PolarHBondContact O-N 3.29Å; Q115-M580 HydrophobicContact CG-CE 4.41Å
116	G	96.6	Very high	95.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.1	-23.1	175.4	0	0	0	0	0	114.3	F114 G118 I119 T120 W576	F114-G116 PolarHBondContact O-N 3.36Å; G116-G118 VanDerWaalsContact C-N 3.35Å; G116-G118 PolarHBondContact O-N 3.38Å; G116-I119 WeakPolarHBondContact O-CB 3.31Å; G116-I119 PolarHBondContact O-N 2.88Å; G116-I119 VanDerWaalsContact O-N 3.17Å; G116-T120 PolarHBondContact O-N 3.08Å; G116-T120 PolarHBondContact O-OG1 3.45Å; G116-T120 VanDerWaalsContact O-OG1 3.13Å; G116-W576 WeakPolarHBondContact CA-O 3.35Å
117	V	97.1	Very high	95.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.8	-44.4	176.1	179.1	0	0	0	0	110.6	W108 F114 Q115 I119 T120 M121 A489 L492 I577	W108-V117 HydrophobicContact CD2-CB 4.44Å; W108-V117 HydrophobicContact CH2-CB 3.75Å; W108-V117 HydrophobicContact CH2-CG1 3.76Å; W108-V117 HydrophobicContact CH2-CG2 4.01Å; W108-V117 HydrophobicContact CZ2-CB 3.41Å; W108-V117 VanDerWaalsContact CZ2-CB 3.41Å; W108-V117 HydrophobicContact CZ2-CG1 3.26Å; W108-V117 HydrophobicContact CZ2-CG2 4.2Å; F114-V117 HydrophobicContact CB-CG2 4.1Å; F114-V117 WeakPolarHBondContact O-CB 3.37Å; F114-V117 WeakPolarHBondContact O-CG2 3.49Å; F114-V117 PolarHBondContact O-N 3.5Å; Q115-V117 PolarHBondContact O-N 2.9Å; V117-I119 VanDerWaalsContact C-N 3.3Å; V117-I119 PolarHBondContact O-N 3.17Å; V117-T120 WeakPolarHBondContact O-CB 3.23Å; V117-T120 PolarHBondContact O-N 3.47Å; V117-M121 HydrophobicContact CG1-CE 3.96Å; V117-M121 WeakPolarHBondContact O-CG 3.29Å; V117-M121 PolarHBondContact O-N 3.4Å; V117-A489 HydrophobicContact CG1-CB 4.14Å; V117-L492 HydrophobicContact CG2-CB 3.74Å; V117-L492 HydrophobicContact CG2-CD1 3.95Å; V117-I577 HydrophobicContact CG2-CD1 4.47Å; V117-I577 HydrophobicContact CG2-CG1 4.12Å
118	G	96.7	Very high	95.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.2	-35	175.3	0	0	0	0	0	113.3	P104 W108 Q115 G116 M121 V122	P104-G118 VanDerWaalsContact O-CA 3.25Å; P104-G118 WeakPolarHBondContact O-CA 3.4Å; W108-G118 VanDerWaalsContact NE1-N 3.17Å; Q115-G118 PolarHBondContact O-N 3.29Å; G116-G118 VanDerWaalsContact C-N 3.35Å; G116-G118 PolarHBondContact O-N 3.38Å; G118-M121 PolarHBondContact O-N 3.46Å; G118-V122 WeakPolarHBondContact O-CG2 3.26Å; G118-V122 PolarHBondContact O-N 3.31Å; G118-V122 VanDerWaalsContact O-N 3.16Å
119	I	96.8	Very high	95.3	Very high	36 Å²	36	16.2 Å²	16.2	19%	0.185	8%	0.079	C	C	.	.	H	α-helix	trans	-66	-44.6	174.7	-59.5	178.7	0	0	0	109.7	V105 G116 V117 M121 V122 L123 W576 M580	V105-I119 HydrophobicContact CG1-CG1 3.99Å; V105-I119 HydrophobicContact CG2-CG1 4.17Å; G116-I119 WeakPolarHBondContact O-CB 3.31Å; G116-I119 PolarHBondContact O-N 2.88Å; G116-I119 VanDerWaalsContact O-N 3.17Å; V117-I119 VanDerWaalsContact C-N 3.3Å; V117-I119 PolarHBondContact O-N 3.17Å; I119-M121 VanDerWaalsContact C-N 3.35Å; I119-M121 PolarHBondContact O-N 3.04Å; I119-V122 PolarHBondContact O-N 3.49Å; I119-L123 HydrophobicContact CG2-CD1 3.93Å; I119-L123 HydrophobicContact CG2-CG 4.26Å; I119-L123 WeakPolarHBondContact O-CG 3.32Å; I119-L123 PolarHBondContact O-N 3.48Å; I119-W576 HydrophobicContact CB-CB 4.13Å; I119-W576 HydrophobicContact CD1-CE3 4.47Å; I119-W576 HydrophobicContact CG2-CB 3.86Å; I119-W576 HydrophobicContact CG2-CD2 4.09Å; I119-W576 HydrophobicContact CG2-CG 3.72Å; I119-M580 HydrophobicContact CD1-CG 3.67Å; I119-M580 HydrophobicContact CD1-SD 4.02Å
120	T	95.9	Very high	95.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.5	-45.4	175	-61.7	0	0	0	0	111.6	G116 V117 V122 L123 I124 C573 I574	G116-T120 PolarHBondContact O-N 3.08Å; G116-T120 PolarHBondContact O-OG1 3.45Å; G116-T120 VanDerWaalsContact O-OG1 3.13Å; V117-T120 WeakPolarHBondContact O-CB 3.23Å; V117-T120 PolarHBondContact O-N 3.47Å; T120-V122 PolarHBondContact O-N 3.02Å; T120-L123 PolarHBondContact O-N 3.12Å; T120-I124 HydrophobicContact CG2-CD1 3.7Å; T120-I124 HydrophobicContact CG2-CG1 4.37Å; T120-I124 VanDerWaalsContact O-CG1 3.3Å; T120-I124 WeakPolarHBondContact O-CG1 3.3Å; T120-I124 PolarHBondContact O-N 3.37Å; T120-C573 WeakPolarHBondContact CB-O 3.48Å; T120-C573 HydrophobicContact CG2-CB 4.41Å; T120-C573 PolarHBondContact OG1-O 3.25Å; T120-I574 HydrophobicContact CG2-CG2 4.16Å
121	M	95.3	Very high	95.3	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-56.4	-46.2	175.8	-69.5	172.5	169.2	0	0	112.3	W108 V117 G118 I119 S125 A326 A489 E493	W108-M121 HydrophobicContact CZ2-CE 4.45Å; V117-M121 HydrophobicContact CG1-CE 3.96Å; V117-M121 WeakPolarHBondContact O-CG 3.29Å; V117-M121 PolarHBondContact O-N 3.4Å; G118-M121 PolarHBondContact O-N 3.46Å; I119-M121 VanDerWaalsContact C-N 3.35Å; I119-M121 PolarHBondContact O-N 3.04Å; M121-S125 WeakPolarHBondContact O-CB 3.49Å; M121-S125 PolarHBondContact O-N 3.31Å; M121-S125 PolarHBondContact O-OG 2.96Å; M121-A326 HydrophobicContact CE-CB 4.19Å; M121-A326 WeakPolarHBondContact CG-O 3.33Å; M121-A489 HydrophobicContact CE-CB 4.38Å; M121-A489 HydrophobicContact CG-CB 4.3Å; M121-E493 HydrophobicContact CE-CB 4.38Å; M121-E493 HydrophobicContact CE-CG 4.46Å; M121-E493 WeakPolarHBondContact CE-OE2 3.44Å
122	V	96.3	Very high	95.2	Very high	14 Å²	14	15.5 Å²	15.5	9%	0.085	8%	0.077	C	C	.	.	H	α-helix	trans	-68	-41.8	179.3	174.8	0	0	0	0	111.7	P104 V105 G118 I119 T120 S125 I126 T430 I431 T434	P104-V122 HydrophobicContact CB-CG2 4.38Å; P104-V122 HydrophobicContact CG-CG2 3.61Å; V105-V122 HydrophobicContact CG2-CG2 3.97Å; G118-V122 WeakPolarHBondContact O-CG2 3.26Å; G118-V122 PolarHBondContact O-N 3.31Å; G118-V122 VanDerWaalsContact O-N 3.16Å; I119-V122 PolarHBondContact O-N 3.49Å; T120-V122 PolarHBondContact O-N 3.02Å; V122-S125 WeakPolarHBondContact O-CB 3.42Å; V122-S125 PolarHBondContact O-N 3.1Å; V122-I126 HydrophobicContact CG1-CD1 4.07Å; V122-I126 WeakPolarHBondContact O-CG1 3.18Å; V122-I126 PolarHBondContact O-N 3.13Å; V122-T430 HydrophobicContact CG2-CG2 4.42Å; V122-I431 HydrophobicContact CG1-CG1 4.4Å; V122-T434 HydrophobicContact CG2-CG2 4.33Å; V122-T434 WeakPolarHBondContact CG2-OG1 3.32Å
123	L	95.8	Very high	95.4	Very high	28 Å²	28	14.5 Å²	14.5	15%	0.147	7%	0.07	C	C	.	.	H	α-helix	trans	-65.5	-42.7	178.7	-71.9	176.1	0	0	0	112.2	I119 T120 S125 I126 F127 F572 C573 W576	I119-L123 HydrophobicContact CG2-CD1 3.93Å; I119-L123 HydrophobicContact CG2-CG 4.26Å; I119-L123 WeakPolarHBondContact O-CG 3.32Å; I119-L123 PolarHBondContact O-N 3.48Å; T120-L123 PolarHBondContact O-N 3.12Å; L123-S125 VanDerWaalsContact C-N 3.31Å; L123-S125 PolarHBondContact O-N 3Å; L123-I126 HydrophobicContact CD2-CD1 4.35Å; L123-I126 WeakPolarHBondContact O-CB 3.46Å; L123-I126 PolarHBondContact O-N 2.66Å; L123-F127 VanDerWaalsContact O-CD2 3.31Å; L123-F127 WeakPolarHBondContact O-CD2 3.22Å; L123-F127 PolarHBondContact O-N 3.43Å; L123-F572 HydrophobicContact CD1-CE1 4.21Å; L123-F572 HydrophobicContact CD2-CE1 4.18Å; L123-C573 HydrophobicContact CB-CB 4.46Å; L123-W576 HydrophobicContact CD1-CG 4.23Å
124	I	93.4	Very high	95.5	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-61.8	-44.5	174.7	-67.7	169.3	0	0	0	110.1	T120 I126 F127 V128 W327 C481 G485 I486 C573	T120-I124 HydrophobicContact CG2-CD1 3.7Å; T120-I124 HydrophobicContact CG2-CG1 4.37Å; T120-I124 VanDerWaalsContact O-CG1 3.3Å; T120-I124 WeakPolarHBondContact O-CG1 3.3Å; T120-I124 PolarHBondContact O-N 3.37Å; I124-I126 VanDerWaalsContact C-N 3.29Å; I124-I126 PolarHBondContact O-N 3.23Å; I124-F127 PolarHBondContact O-N 3.08Å; I124-V128 HydrophobicContact CG2-CG2 4.4Å; I124-V128 WeakPolarHBondContact O-CG2 3.5Å; I124-V128 PolarHBondContact O-N 2.77Å; I124-W327 HydrophobicContact CG2-CE3 4.4Å; I124-W327 HydrophobicContact CG2-CZ3 4.21Å; I124-C481 WeakPolarHBondContact CG2-O 3.4Å; I124-G485 VanDerWaalsContact CD1-C 3.48Å; I124-I486 HydrophobicContact CD1-CG1 4.2Å; I124-I486 HydrophobicContact CG2-CD1 3.64Å; I124-I486 HydrophobicContact CG2-CG1 3.93Å; I124-C573 HydrophobicContact CG1-CB 3.94Å
125	S	93.6	Very high	95.5	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.007	6%	0.06	C	C	.	.	H	α-helix	trans	-57.8	-40.7	174.7	-68	0	0	0	0	111.9	M121 V122 L123 V128 T129 W327	M121-S125 WeakPolarHBondContact O-CB 3.49Å; M121-S125 PolarHBondContact O-N 3.31Å; M121-S125 PolarHBondContact O-OG 2.96Å; V122-S125 WeakPolarHBondContact O-CB 3.42Å; V122-S125 PolarHBondContact O-N 3.1Å; L123-S125 VanDerWaalsContact C-N 3.31Å; L123-S125 PolarHBondContact O-N 3Å; S125-V128 PolarHBondContact O-N 3.03Å; S125-T129 WeakPolarHBondContact O-CB 3.4Å; S125-T129 PolarHBondContact O-N 2.84Å; S125-T129 PolarHBondContact O-OG1 3.09Å; S125-W327 PolarHBondContact OG-O 3.27Å
126	I	95.6	Very high	95.5	Very high	44 Å²	44	10.9 Å²	10.9	23%	0.226	5%	0.053	C	C	.	.	H	α-helix	trans	-59.9	-51.1	175	-74	162.8	0	0	0	111.3	V122 L123 I124 V128 T129 I130 I431 L458	V122-I126 HydrophobicContact CG1-CD1 4.07Å; V122-I126 WeakPolarHBondContact O-CG1 3.18Å; V122-I126 PolarHBondContact O-N 3.13Å; L123-I126 HydrophobicContact CD2-CD1 4.35Å; L123-I126 WeakPolarHBondContact O-CB 3.46Å; L123-I126 PolarHBondContact O-N 2.66Å; I124-I126 VanDerWaalsContact C-N 3.29Å; I124-I126 PolarHBondContact O-N 3.23Å; I126-V128 VanDerWaalsContact C-N 3.28Å; I126-V128 PolarHBondContact O-N 3.37Å; I126-T129 PolarHBondContact O-N 3.31Å; I126-I130 HydrophobicContact CG2-CD1 4.41Å; I126-I130 WeakPolarHBondContact O-CG1 3.31Å; I126-I130 PolarHBondContact O-N 3.16Å; I126-I431 HydrophobicContact CD1-CD1 4.45Å; I126-I431 HydrophobicContact CD1-CG1 4.4Å; I126-I431 HydrophobicContact CG1-CD1 3.48Å; I126-I431 VanDerWaalsContact CG1-CD1 3.48Å; I126-I431 HydrophobicContact CG1-CG1 3.8Å; I126-L458 HydrophobicContact CG2-CD2 3.96Å
127	F	94.6	Very high	95.6	Very high	39 Å²	39	10.9 Å²	10.9	17%	0.171	5%	0.053	C	C	.	.	H	α-helix	trans	-58.6	-42.1	178.7	-84.2	-74	0	0	0	112.3	L123 I124 I130 I477 C481 M569 F572 C573	L123-F127 VanDerWaalsContact O-CD2 3.31Å; L123-F127 WeakPolarHBondContact O-CD2 3.22Å; L123-F127 PolarHBondContact O-N 3.43Å; I124-F127 PolarHBondContact O-N 3.08Å; F127-I130 WeakPolarHBondContact O-CB 3.41Å; F127-I130 PolarHBondContact O-N 3.43Å; F127-I477 HydrophobicContact CB-CG2 4.04Å; F127-I477 HydrophobicContact CD1-CG2 4.29Å; F127-C481 HydrophobicContact CB-CB 3.97Å; F127-C481 HydrophobicContact CG-CB 4.41Å; F127-M569 HydrophobicContact CE1-CB 4.5Å; F127-M569 HydrophobicContact CE1-CG 4.22Å; F127-M569 HydrophobicContact CE1-SD 4.21Å; F127-M569 HydrophobicContact CZ-CB 4.44Å; F127-M569 HydrophobicContact CZ-CG 4.46Å; F127-F572 HydrophobicContact CE2-CD1 4.01Å; F127-F572 HydrophobicContact CE2-CE1 4.35Å; F127-F572 HydrophobicContact CZ-CD1 4.29Å; F127-C573 VanDerWaalsContact CE2-SG 3.59Å
128	V	92.6	Very high	95.6	Very high	9 Å²	9	11 Å²	11	6%	0.055	5%	0.054	C	C	.	.	H	α-helix	trans	-70.8	-38.2	-179.1	170	0	0	0	0	111.8	I124 S125 I126 I130 Y131 Y132 W327 A482	I124-V128 HydrophobicContact CG2-CG2 4.4Å; I124-V128 WeakPolarHBondContact O-CG2 3.5Å; I124-V128 PolarHBondContact O-N 2.77Å; S125-V128 PolarHBondContact O-N 3.03Å; I126-V128 VanDerWaalsContact C-N 3.28Å; I126-V128 PolarHBondContact O-N 3.37Å; V128-I130 PolarHBondContact O-N 2.88Å; V128-Y131 VanDerWaalsContact CA-CE1 3.42Å; V128-Y131 HydrophobicContact CB-CE1 3.85Å; V128-Y131 HydrophobicContact CG1-CE1 3.93Å; V128-Y131 HydrophobicContact CG2-CE1 3.65Å; V128-Y131 PolarHBondContact O-N 3.3Å; V128-Y132 WeakPolarHBondContact O-CB 3.27Å; V128-Y132 PolarHBondContact O-N 3.06Å; V128-W327 HydrophobicContact CB-CH2 4.27Å; V128-W327 HydrophobicContact CB-CZ3 3.66Å; V128-W327 HydrophobicContact CG1-CH2 4.05Å; V128-W327 HydrophobicContact CG1-CZ3 3.65Å; V128-W327 HydrophobicContact CG2-CH2 3.71Å; V128-W327 HydrophobicContact CG2-CZ3 3.44Å; V128-W327 VanDerWaalsContact CG2-CZ3 3.44Å; V128-A482 HydrophobicContact CG2-CB 4.07Å
129	T	95.1	Very high	95.7	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-57.8	-37.7	175.6	-54.2	0	0	0	0	111.5	S125 I126 N133 W247 S427 I428 L458	S125-T129 WeakPolarHBondContact O-CB 3.4Å; S125-T129 PolarHBondContact O-N 2.84Å; S125-T129 PolarHBondContact O-OG1 3.09Å; I126-T129 PolarHBondContact O-N 3.31Å; T129-N133 PolarHBondContact O-N 2.89Å; T129-W247 HydrophobicContact CG2-CH2 3.59Å; T129-W247 HydrophobicContact CG2-CZ2 4.28Å; T129-S427 VanDerWaalsContact OG1-CB 3.28Å; T129-S427 WeakPolarHBondContact OG1-CB 3.32Å; T129-I428 HydrophobicContact CG2-CD1 3.84Å; T129-I428 HydrophobicContact CG2-CG1 4.37Å; T129-L458 HydrophobicContact CG2-CD1 4.08Å
130	I	95.4	Very high	95.8	Very high	13 Å²	13	9.4 Å²	9.4	7%	0.067	5%	0.046	C	C	.	.	H	α-helix	trans	-59.2	-56.7	179.2	-65.8	165	0	0	0	111.3	I126 F127 V128 V134 L458 L461	I126-I130 HydrophobicContact CG2-CD1 4.41Å; I126-I130 WeakPolarHBondContact O-CG1 3.31Å; I126-I130 PolarHBondContact O-N 3.16Å; F127-I130 WeakPolarHBondContact O-CB 3.41Å; F127-I130 PolarHBondContact O-N 3.43Å; V128-I130 PolarHBondContact O-N 2.88Å; I130-V134 WeakPolarHBondContact O-CG2 3.36Å; I130-L458 HydrophobicContact CD1-CD2 4.42Å; I130-L458 HydrophobicContact CG1-CD2 3.91Å; I130-L461 HydrophobicContact CD1-CB 3.96Å; I130-L461 HydrophobicContact CD1-CD1 4.01Å; I130-L461 HydrophobicContact CG1-CB 4.25Å
131	Y	93.9	Very high	95.9	Very high	9 Å²	9	10.9 Å²	10.9	4%	0.035	5%	0.052	C	C	.	.	H	α-helix	trans	-79.8	-29.9	-176	79.9	-99.3	0	0	0	112.6	V128 N133 V134 I135 V474 I477 D478	V128-Y131 VanDerWaalsContact CA-CE1 3.42Å; V128-Y131 HydrophobicContact CB-CE1 3.85Å; V128-Y131 HydrophobicContact CG1-CE1 3.93Å; V128-Y131 HydrophobicContact CG2-CE1 3.65Å; V128-Y131 PolarHBondContact O-N 3.3Å; Y131-N133 VanDerWaalsContact C-N 3.32Å; Y131-N133 PolarHBondContact O-N 2.9Å; Y131-V134 WeakPolarHBondContact O-CA 3.49Å; Y131-V134 VanDerWaalsContact O-CB 3.26Å; Y131-V134 WeakPolarHBondContact O-CB 3.25Å; Y131-V134 PolarHBondContact O-N 3.18Å; Y131-I135 HydrophobicContact CD2-CD1 4.21Å; Y131-I135 HydrophobicContact CE2-CD1 4.28Å; Y131-I135 PolarHBondContact O-N 3.48Å; Y131-V474 HydrophobicContact CD2-CG1 3.91Å; Y131-V474 HydrophobicContact CG-CG1 4.37Å; Y131-I477 HydrophobicContact CD1-CB 4.03Å; Y131-I477 HydrophobicContact CD1-CG2 3.59Å; Y131-I477 HydrophobicContact CE1-CG2 4.03Å; Y131-D478 HydrophobicContact CE1-CB 4.18Å; Y131-D478 HydrophobicContact CE2-CB 3.88Å; Y131-D478 VanDerWaalsContact CZ-OD1 3.23Å; Y131-D478 PolarHBondContact OH-OD1 2.93Å
132	Y	94.5	Very high	96	Very high	29 Å²	29	10.8 Å²	10.8	11%	0.114	5%	0.051	C	C	.	.	H	α-helix	trans	-67.3	-36.3	-177.2	-167.6	-79.4	0	0	0	111.3	L56 V128 V134 I135 I136 G420 S423 Q424	L56-Y132 HydrophobicContact CD1-CE1 4.02Å; L56-Y132 HydrophobicContact CD1-CE2 4.05Å; L56-Y132 PolarHBondContact N-OH 3.34Å; V128-Y132 WeakPolarHBondContact O-CB 3.27Å; V128-Y132 PolarHBondContact O-N 3.06Å; Y132-V134 PolarHBondContact O-N 2.93Å; Y132-I135 HydrophobicContact CD2-CD1 4.19Å; Y132-I135 HydrophobicContact CG-CD1 4.43Å; Y132-I135 WeakPolarHBondContact O-CB 3.25Å; Y132-I135 PolarHBondContact O-N 3.49Å; Y132-I135 VanDerWaalsContact O-N 3.1Å; Y132-I136 HydrophobicContact CD1-CD1 4.33Å; Y132-I136 HydrophobicContact CE1-CD1 4.43Å; Y132-I136 PolarHBondContact O-N 2.83Å; Y132-G420 WeakPolarHBondContact CE1-O 3.49Å; Y132-S423 PolarHBondContact OH-OG 3.18Å; Y132-Q424 HydrophobicContact CD1-CG 3.99Å; Y132-Q424 HydrophobicContact CE1-CG 4.43Å
133	N	96.8	Very high	96.1	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-69.4	-21.3	173.6	-151.9	37.8	0	0	0	113.1	T129 Y131 I135 I136 A137 L243 W247	T129-N133 PolarHBondContact O-N 2.89Å; Y131-N133 VanDerWaalsContact C-N 3.32Å; Y131-N133 PolarHBondContact O-N 2.9Å; N133-I135 VanDerWaalsContact C-N 3.33Å; N133-I136 WeakPolarHBondContact O-CB 3.46Å; N133-I136 PolarHBondContact O-N 2.93Å; N133-I136 WeakPolarHBondContact OD1-CD1 3.28Å; N133-A137 PolarHBondContact O-N 3.4Å; N133-L243 HydrophobicContact CB-CD1 4.28Å; N133-W247 HydrophobicContact CB-CZ2 4Å; N133-W247 PolarHBondContact ND2-N 3.18Å; N133-W247 PolarHBondContact ND2-NE1 3Å
134	V	97.4	Very high	96.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-69.4	-33.4	170.7	174.8	0	0	0	0	111.2	I130 Y131 Y132 I136 A137 Y138 L243 C465 V466 V474	I130-V134 WeakPolarHBondContact O-CG2 3.36Å; Y131-V134 WeakPolarHBondContact O-CA 3.49Å; Y131-V134 VanDerWaalsContact O-CB 3.26Å; Y131-V134 WeakPolarHBondContact O-CB 3.25Å; Y131-V134 PolarHBondContact O-N 3.18Å; Y132-V134 PolarHBondContact O-N 2.93Å; V134-I136 VanDerWaalsContact C-N 3.29Å; V134-I136 PolarHBondContact O-N 3.12Å; V134-A137 WeakPolarHBondContact O-CA 3.22Å; V134-A137 VanDerWaalsContact O-CB 3.27Å; V134-A137 WeakPolarHBondContact O-CB 3.19Å; V134-A137 PolarHBondContact O-N 3.42Å; V134-A137 VanDerWaalsContact O-N 3.13Å; V134-Y138 HydrophobicContact CG1-CD1 4.44Å; V134-Y138 HydrophobicContact CG1-CE1 3.68Å; V134-Y138 HydrophobicContact CG1-CE2 3.91Å; V134-Y138 WeakPolarHBondContact CG1-OH 3.37Å; V134-Y138 PolarHBondContact O-N 3.4Å; V134-L243 HydrophobicContact CG2-CD1 3.83Å; V134-L243 HydrophobicContact CG2-CD2 4.16Å; V134-C465 HydrophobicContact CB-CB 4.41Å; V134-C465 HydrophobicContact CG1-CB 4.31Å; V134-C465 HydrophobicContact CG2-CB 3.69Å; V134-V466 HydrophobicContact CG1-CG1 3.72Å; V134-V466 HydrophobicContact CG2-CG1 4.17Å; V134-V474 HydrophobicContact CB-CG2 4.38Å; V134-V474 HydrophobicContact CG1-CG2 4Å
135	I	95.9	Very high	96.3	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.015	7%	0.069	C	C	.	.	H	α-helix	trans	-68.1	-34.2	174	-45.4	161.6	0	0	0	111.6	L56 W60 Y131 Y132 N133 A137 Y138 S139 F388 F392	L56-I135 HydrophobicContact CD1-CB 4.22Å; L56-I135 HydrophobicContact CD1-CD1 4.33Å; L56-I135 HydrophobicContact CD1-CG2 3.97Å; W60-I135 HydrophobicContact CH2-CD1 4.39Å; W60-I135 HydrophobicContact CH2-CG2 3.5Å; W60-I135 VanDerWaalsContact CH2-CG2 3.5Å; W60-I135 HydrophobicContact CZ2-CD1 4.42Å; W60-I135 HydrophobicContact CZ2-CG2 4.46Å; W60-I135 HydrophobicContact CZ3-CG2 4.18Å; Y131-I135 HydrophobicContact CD2-CD1 4.21Å; Y131-I135 HydrophobicContact CE2-CD1 4.28Å; Y131-I135 PolarHBondContact O-N 3.48Å; Y132-I135 HydrophobicContact CD2-CD1 4.19Å; Y132-I135 HydrophobicContact CG-CD1 4.43Å; Y132-I135 WeakPolarHBondContact O-CB 3.25Å; Y132-I135 PolarHBondContact O-N 3.49Å; Y132-I135 VanDerWaalsContact O-N 3.1Å; N133-I135 VanDerWaalsContact C-N 3.33Å; I135-A137 VanDerWaalsContact C-N 3.32Å; I135-Y138 HydrophobicContact CG2-CD2 4.43Å; I135-Y138 WeakPolarHBondContact O-CB 3.49Å; I135-Y138 PolarHBondContact O-N 2.98Å; I135-S139 PolarHBondContact O-N 2.96Å; I135-S139 PolarHBondContact O-OG 3.38Å; I135-F388 HydrophobicContact CD1-CE1 3.54Å; I135-F388 HydrophobicContact CD1-CZ 4.23Å; I135-F388 HydrophobicContact CG1-CD1 4.47Å; I135-F388 HydrophobicContact CG1-CE1 3.75Å; I135-F392 HydrophobicContact CG2-CE2 3.66Å; I135-F392 HydrophobicContact CG2-CZ 3.76Å
136	I	97.3	Very high	96.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.8	-40	171.4	-62.7	174.7	0	0	0	110.3	Y132 N133 V134 Y138 S139 L140 A246 L417 G420 Q424	Y132-I136 HydrophobicContact CD1-CD1 4.33Å; Y132-I136 HydrophobicContact CE1-CD1 4.43Å; Y132-I136 PolarHBondContact O-N 2.83Å; N133-I136 WeakPolarHBondContact O-CB 3.46Å; N133-I136 PolarHBondContact O-N 2.93Å; N133-I136 WeakPolarHBondContact OD1-CD1 3.28Å; V134-I136 VanDerWaalsContact C-N 3.29Å; V134-I136 PolarHBondContact O-N 3.12Å; I136-Y138 VanDerWaalsContact C-N 3.34Å; I136-Y138 PolarHBondContact O-N 2.77Å; I136-S139 WeakPolarHBondContact O-CB 3.19Å; I136-S139 PolarHBondContact O-N 3.2Å; I136-S139 VanDerWaalsContact O-N 3.14Å; I136-L140 HydrophobicContact CG2-CD1 4.48Å; I136-L140 PolarHBondContact O-N 3.34Å; I136-A246 HydrophobicContact CB-CB 4.38Å; I136-A246 HydrophobicContact CG2-CB 3.87Å; I136-L417 HydrophobicContact CG2-CD1 3.3Å; I136-G420 WeakPolarHBondContact CD1-O 3.44Å; I136-Q424 HydrophobicContact CD1-CB 4.47Å; I136-Q424 HydrophobicContact CD1-CG 3.45Å; I136-Q424 VanDerWaalsContact CD1-CG 3.45Å
137	A	98.2	Very high	96.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.5	-41	173.3	0	0	0	0	0	112.4	N133 V134 I135 S139 L140 Y141 C242 L243	N133-A137 PolarHBondContact O-N 3.4Å; V134-A137 WeakPolarHBondContact O-CA 3.22Å; V134-A137 VanDerWaalsContact O-CB 3.27Å; V134-A137 WeakPolarHBondContact O-CB 3.19Å; V134-A137 PolarHBondContact O-N 3.42Å; V134-A137 VanDerWaalsContact O-N 3.13Å; I135-A137 VanDerWaalsContact C-N 3.32Å; A137-S139 VanDerWaalsContact C-N 3.32Å; A137-S139 PolarHBondContact O-N 3.3Å; A137-L140 PolarHBondContact O-N 2.95Å; A137-Y141 PolarHBondContact O-N 3.4Å; A137-C242 HydrophobicContact CB-CB 3.94Å; A137-C242 WeakPolarHBondContact O-CB 3.37Å; A137-L243 HydrophobicContact CB-CB 3.91Å; A137-L243 HydrophobicContact CB-CD1 4.32Å
138	Y	97.8	Very high	96.5	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.012	10%	0.1	C	C	.	.	H	α-helix	trans	-61	-42.4	172.7	-57.1	-29.5	0	0	0	111.5	V134 I135 I136 Y141 Y142 W218 L223 L239 F392 C465 I471	V134-Y138 HydrophobicContact CG1-CD1 4.44Å; V134-Y138 HydrophobicContact CG1-CE1 3.68Å; V134-Y138 HydrophobicContact CG1-CE2 3.91Å; V134-Y138 WeakPolarHBondContact CG1-OH 3.37Å; V134-Y138 PolarHBondContact O-N 3.4Å; I135-Y138 HydrophobicContact CG2-CD2 4.43Å; I135-Y138 WeakPolarHBondContact O-CB 3.49Å; I135-Y138 PolarHBondContact O-N 2.98Å; I136-Y138 VanDerWaalsContact C-N 3.34Å; I136-Y138 PolarHBondContact O-N 2.77Å; Y138-Y141 PolarHBondContact O-N 2.87Å; Y138-Y142 WeakPolarHBondContact O-CD2 3.42Å; Y138-Y142 PolarHBondContact O-N 3.17Å; Y138-W218 HydrophobicContact CD1-CH2 4.32Å; Y138-W218 AromaticContact CD2-CH2 3.61Å; Y138-W218 HydrophobicContact CD2-CH2 3.61Å; Y138-W218 HydrophobicContact CD2-CZ3 4.41Å; Y138-W218 AromaticContact CE2-CH2 3.9Å; Y138-W218 HydrophobicContact CE2-CH2 3.9Å; Y138-W218 AromaticContact CG-CH2 3.84Å; Y138-W218 HydrophobicContact CG-CH2 3.84Å; Y138-W218 HydrophobicContact CG-CZ3 4.2Å; Y138-L223 HydrophobicContact CD1-CD2 4.48Å; Y138-L223 HydrophobicContact CE1-CD2 3.82Å; Y138-L239 HydrophobicContact CD1-CD1 4.31Å; Y138-L239 HydrophobicContact CD1-CD2 3.9Å; Y138-L239 HydrophobicContact CE1-CD1 3.9Å; Y138-L239 HydrophobicContact CE1-CD2 4.31Å; Y138-F392 HydrophobicContact CD2-CE2 4.24Å; Y138-F392 HydrophobicContact CD2-CZ 4.43Å; Y138-C465 PolarHBondContact OH-O 3.07Å; Y138-I471 HydrophobicContact CE2-CD1 4.4Å
139	S	97.3	Very high	96.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.3	-42.3	177.3	-54	0	0	0	0	111.7	I135 I136 A137 Y142 M143	I135-S139 PolarHBondContact O-N 2.96Å; I135-S139 PolarHBondContact O-OG 3.38Å; I136-S139 WeakPolarHBondContact O-CB 3.19Å; I136-S139 PolarHBondContact O-N 3.2Å; I136-S139 VanDerWaalsContact O-N 3.14Å; A137-S139 VanDerWaalsContact C-N 3.32Å; A137-S139 PolarHBondContact O-N 3.3Å; S139-Y142 PolarHBondContact O-N 3.28Å; S139-M143 VanDerWaalsContact O-CB 3.3Å; S139-M143 WeakPolarHBondContact O-CB 3.31Å; S139-M143 PolarHBondContact O-N 2.9Å
140	L	98.3	Very high	96.3	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-45.7	173.4	-77.6	169.1	0	0	0	112	I136 A137 Y142 M143 F144 C242 L245 A246 L417	I136-L140 HydrophobicContact CG2-CD1 4.48Å; I136-L140 PolarHBondContact O-N 3.34Å; A137-L140 PolarHBondContact O-N 2.95Å; L140-Y142 PolarHBondContact O-N 3.01Å; L140-M143 HydrophobicContact CD2-CE 3.82Å; L140-M143 PolarHBondContact O-N 3.01Å; L140-F144 HydrophobicContact CB-CE2 4.39Å; L140-F144 HydrophobicContact CD2-CE2 4.45Å; L140-F144 WeakPolarHBondContact O-CD2 3.28Å; L140-F144 WeakPolarHBondContact O-CG 3.1Å; L140-F144 PolarHBondContact O-N 2.83Å; L140-C242 HydrophobicContact CB-CB 4.15Å; L140-C242 WeakPolarHBondContact CD1-O 3.47Å; L140-L245 HydrophobicContact CD1-CB 4.32Å; L140-L245 HydrophobicContact CD1-CD2 4.24Å; L140-L245 HydrophobicContact CD1-CG 4.2Å; L140-L245 HydrophobicContact CD2-CD2 4.25Å; L140-A246 HydrophobicContact CD1-CB 3.9Å; L140-L417 HydrophobicContact CD1-CD1 4.43Å; L140-L417 HydrophobicContact CD2-CD1 4.08Å; L140-L417 HydrophobicContact CD2-CD2 3.72Å; L140-L417 HydrophobicContact CD2-CG 4.49Å; L140-L417 HydrophobicContact CG-CD1 4.06Å
141	Y	98.3	Very high	96.3	Very high	31 Å²	31	31.3 Å²	31.3	12%	0.122	16%	0.157	C	C	.	.	H	α-helix	trans	-57.1	-50.9	177.3	169.8	-99.4	0	0	0	111.4	A137 Y138 M143 F144 A145 Y217 A222 Y238 L239	A137-Y141 PolarHBondContact O-N 3.4Å; Y138-Y141 PolarHBondContact O-N 2.87Å; Y141-M143 PolarHBondContact O-N 3.3Å; Y141-F144 PolarHBondContact O-N 3.01Å; Y141-A145 WeakPolarHBondContact O-CB 3.34Å; Y141-A145 PolarHBondContact O-N 3.35Å; Y141-Y217 HydrophobicContact CE1-CE1 4.04Å; Y141-Y217 PolarHBondContact OH-OH 3.12Å; Y141-Y217 VanDerWaalsContact OH-OH 3.08Å; Y141-A222 HydrophobicContact CD1-CB 4.15Å; Y141-A222 HydrophobicContact CE1-CB 3.51Å; Y141-Y238 AromaticContact CD2-CD2 3.56Å; Y141-Y238 HydrophobicContact CD2-CD2 3.56Å; Y141-Y238 HydrophobicContact CD2-CE2 4.01Å; Y141-Y238 AromaticContact CE2-CD2 3.42Å; Y141-Y238 HydrophobicContact CE2-CD2 3.42Å; Y141-Y238 VanDerWaalsContact CE2-CD2 3.42Å; Y141-Y238 AromaticContact CE2-CE2 3.57Å; Y141-Y238 HydrophobicContact CE2-CE2 3.57Å; Y141-Y238 HydrophobicContact CE2-CG 4.32Å; Y141-L239 HydrophobicContact CD2-CD2 4.41Å; Y141-L239 HydrophobicContact CG-CD2 4.08Å
142	Y	98.1	Very high	96.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.7	-35.8	179.6	-92.6	-81.6	0	0	0	113.1	Y138 S139 L140 A145 S146 W153 Y217 W218 A222 F392 P396 F413	Y138-Y142 WeakPolarHBondContact O-CD2 3.42Å; Y138-Y142 PolarHBondContact O-N 3.17Å; S139-Y142 PolarHBondContact O-N 3.28Å; L140-Y142 PolarHBondContact O-N 3.01Å; Y142-A145 PolarHBondContact O-N 3.45Å; Y142-S146 WeakPolarHBondContact O-CB 3.47Å; Y142-S146 PolarHBondContact O-N 3.45Å; Y142-S146 PolarHBondContact O-OG 3.48Å; Y142-W153 HydrophobicContact CD1-CD2 4.37Å; Y142-W153 AromaticContact CD1-CE3 3.8Å; Y142-W153 HydrophobicContact CD1-CE3 3.8Å; Y142-W153 AromaticContact CD1-CH2 3.56Å; Y142-W153 HydrophobicContact CD1-CH2 3.56Å; Y142-W153 HydrophobicContact CD1-CZ2 4.14Å; Y142-W153 AromaticContact CD1-CZ3 3.37Å; Y142-W153 HydrophobicContact CD1-CZ3 3.37Å; Y142-W153 HydrophobicContact CE1-CD2 4.06Å; Y142-W153 AromaticContact CE1-CE3 3.61Å; Y142-W153 HydrophobicContact CE1-CE3 3.61Å; Y142-W153 HydrophobicContact CE1-CH2 4.21Å; Y142-W153 AromaticContact CE1-CZ3 3.7Å; Y142-W153 HydrophobicContact CE1-CZ3 3.7Å; Y142-W153 HydrophobicContact CG-CZ3 4.49Å; Y142-Y217 HydrophobicContact CD1-CE1 4.48Å; Y142-Y217 AromaticContact CE1-CD1 3.93Å; Y142-Y217 HydrophobicContact CE1-CD1 3.93Å; Y142-Y217 AromaticContact CE1-CE1 3.75Å; Y142-Y217 HydrophobicContact CE1-CE1 3.75Å; Y142-W218 AromaticContact CE2-CE3 3.59Å; Y142-W218 HydrophobicContact CE2-CE3 3.59Å; Y142-W218 AromaticContact CE2-CZ3 3.67Å; Y142-W218 HydrophobicContact CE2-CZ3 3.67Å; Y142-W218 AromaticContact CZ-CE3 3.99Å; Y142-A222 HydrophobicContact CE2-CB 4.39Å; Y142-F392 AromaticContact CD2-CD1 3.55Å; Y142-F392 HydrophobicContact CD2-CD1 3.55Å; Y142-F392 HydrophobicContact CD2-CE1 4.09Å; Y142-F392 HydrophobicContact CE2-CB 4.05Å; Y142-F392 AromaticContact CE2-CD1 3.6Å; Y142-F392 HydrophobicContact CE2-CD1 3.6Å; Y142-F392 HydrophobicContact CE2-CG 4.21Å; Y142-F392 HydrophobicContact CG-CD1 4.4Å; Y142-F392 PolarHBondContact OH-O 3.14Å; Y142-P396 HydrophobicContact CE1-CB 4.48Å; Y142-P396 HydrophobicContact CE1-CG 4.46Å; Y142-F413 VanDerWaalsContact CB-CE1 3.44Å; Y142-F413 HydrophobicContact CD1-CE1 4.06Å; Y142-F413 AromaticContact CD1-CE2 3.73Å; Y142-F413 HydrophobicContact CD1-CE2 3.73Å; Y142-F413 AromaticContact CD1-CZ 3.33Å; Y142-F413 HydrophobicContact CD1-CZ 3.33Å; Y142-F413 HydrophobicContact CD2-CE1 4.2Å; Y142-F413 HydrophobicContact CD2-CZ 4.27Å; Y142-F413 HydrophobicContact CE1-CZ 4.16Å; Y142-F413 HydrophobicContact CG-CD1 4.31Å; Y142-F413 AromaticContact CG-CE1 3.66Å; Y142-F413 HydrophobicContact CG-CE1 3.66Å; Y142-F413 AromaticContact CG-CE2 3.93Å; Y142-F413 HydrophobicContact CG-CE2 3.93Å; Y142-F413 AromaticContact CG-CZ 3.41Å; Y142-F413 HydrophobicContact CG-CZ 3.41Å; Y142-F413 VanDerWaalsContact CG-CZ 3.41Å
143	M	97.6	Very high	96.3	Very high	19 Å²	19	30.8 Å²	30.8	9%	0.094	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-47.3	172	-176.7	-171	71.6	0	0	110.5	S139 L140 Y141 S146 F147 F413 F414	S139-M143 VanDerWaalsContact O-CB 3.3Å; S139-M143 WeakPolarHBondContact O-CB 3.31Å; S139-M143 PolarHBondContact O-N 2.9Å; L140-M143 HydrophobicContact CD2-CE 3.82Å; L140-M143 PolarHBondContact O-N 3.01Å; Y141-M143 PolarHBondContact O-N 3.3Å; M143-S146 WeakPolarHBondContact O-CB 3.49Å; M143-S146 PolarHBondContact O-N 2.79Å; M143-S146 VanDerWaalsContact O-N 3.16Å; M143-F147 HydrophobicContact CG-CE2 4.2Å; M143-F147 WeakPolarHBondContact O-CD2 3.27Å; M143-F413 HydrophobicContact CB-CB 3.91Å; M143-F414 HydrophobicContact SD-CB 4.07Å; M143-F414 HydrophobicContact SD-CD2 3.71Å; M143-F414 HydrophobicContact SD-CG 4.31Å
144	F	98	Very high	96	Very high	98 Å²	98	34 Å²	34	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-64.9	-41.7	177.2	-68.5	-46.1	0	0	0	112.8	L140 Y141 S146 F147 L245	L140-F144 HydrophobicContact CB-CE2 4.39Å; L140-F144 HydrophobicContact CD2-CE2 4.45Å; L140-F144 WeakPolarHBondContact O-CD2 3.28Å; L140-F144 WeakPolarHBondContact O-CG 3.1Å; L140-F144 PolarHBondContact O-N 2.83Å; Y141-F144 PolarHBondContact O-N 3.01Å; F144-S146 PolarHBondContact O-N 3.37Å; F144-F147 HydrophobicContact CD1-CD2 4.31Å; F144-F147 HydrophobicContact CD1-CE2 4.16Å; F144-F147 PolarHBondContact O-N 3.27Å; F144-L245 HydrophobicContact CE2-CD2 3.79Å; F144-L245 HydrophobicContact CZ-CD2 3.74Å
145	A	97.1	Very high	95.5	Very high	11 Å²	11	37.1 Å²	37.1	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-64.3	-20	175.3	0	0	0	0	0	113.2	Y141 Y142 P152 W153	Y141-A145 WeakPolarHBondContact O-CB 3.34Å; Y141-A145 PolarHBondContact O-N 3.35Å; Y142-A145 PolarHBondContact O-N 3.45Å; A145-P152 HydrophobicContact CB-CG 4.25Å; A145-W153 HydrophobicContact CB-CH2 4.41Å; A145-W153 HydrophobicContact CB-CZ3 3.84Å
146	S	97.8	Very high	95	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.9	176.7	-56.3	0	0	0	0	113.9	Y142 M143 F144 Q148 W153 S409	Y142-S146 WeakPolarHBondContact O-CB 3.47Å; Y142-S146 PolarHBondContact O-N 3.45Å; Y142-S146 PolarHBondContact O-OG 3.48Å; M143-S146 WeakPolarHBondContact O-CB 3.49Å; M143-S146 PolarHBondContact O-N 2.79Å; M143-S146 VanDerWaalsContact O-N 3.16Å; F144-S146 PolarHBondContact O-N 3.37Å; S146-Q148 PolarHBondContact O-N 3.03Å; S146-W153 WeakPolarHBondContact OG-CH2 3.43Å; S146-S409 VanDerWaalsContact OG-CB 3.28Å; S146-S409 WeakPolarHBondContact OG-CB 3.41Å
147	F	96.3	Very high	94.4	Very high	126 Å²	126	42.8 Å²	42.8	55%	0.553	23%	0.228	S	C	*	.	S	Bend	trans	-79.1	51.6	175.1	-67.7	-72	0	0	0	112.2	M143 F144 I410	M143-F147 HydrophobicContact CG-CE2 4.2Å; M143-F147 WeakPolarHBondContact O-CD2 3.27Å; F144-F147 HydrophobicContact CD1-CD2 4.31Å; F144-F147 HydrophobicContact CD1-CE2 4.16Å; F144-F147 PolarHBondContact O-N 3.27Å; F147-I410 HydrophobicContact CD1-CD1 3.59Å; F147-I410 HydrophobicContact CD1-CG1 4.33Å; F147-I410 HydrophobicContact CE1-CD1 3.58Å; F147-I410 HydrophobicContact CE1-CG1 4.14Å; F147-I410 HydrophobicContact CE1-CG2 4.32Å; F147-I410 HydrophobicContact CG-CD1 4.31Å; F147-I410 HydrophobicContact CZ-CD1 4.29Å; F147-I410 HydrophobicContact CZ-CG1 4.36Å; F147-I410 HydrophobicContact CZ-CG2 4.19Å
148	Q	93.4	Very high	93.9	Very high	105 Å²	105	48.6 Å²	48.6	49%	0.491	27%	0.269	S	S	.	.	S	Bend	trans	-134.3	156.2	178	-59.5	-175.1	14.3	0	0	109.4	S146 E150 P406	S146-Q148 PolarHBondContact O-N 3.03Å; Q148-E150 VanDerWaalsContact C-N 3.31Å; Q148-E150 PolarHBondContact O-N 3.07Å; Q148-P406 WeakPolarHBondContact O-CB 3.16Å; Q148-P406 WeakPolarHBondContact O-CG 3.3Å
149	S	90.7	Very high	93.4	Very high	127 Å²	127	51.3 Å²	51.3	89%	0.888	28%	0.279	S	S	*	.	S	Bend	trans	-65.1	-36.7	178.7	52.7	0	0	0	0	112.2
150	E	92	Very high	93	Very high	89 Å²	89	52.7 Å²	52.7	42%	0.416	29%	0.289	S	S	.	.	S	Bend	trans	-120.7	133.8	172	-169.6	164.9	-143.5	0	0	110	Q148 K154 N155	Q148-E150 VanDerWaalsContact C-N 3.31Å; Q148-E150 PolarHBondContact O-N 3.07Å; E150-K154 HydrophobicContact CG-CB 4.47Å; E150-K154 HydrophobicContact CG-CD 3.85Å; E150-K154 WeakPolarHBondContact OE1-CD 3.31Å; E150-K154 WeakPolarHBondContact OE1-CE 3.43Å; E150-K154 IonicContact OE1-NZ 3.12Å; E150-K154 PolarHBondContact OE1-NZ 3.4Å; E150-N155 PolarHBondContact OE1-ND2 3.18Å
151	L	95.4	Very high	92.4	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	31%	0.307	C	S	.	.			trans	-68.1	134.9	179.6	-69.6	174.1	0	0	0	110.7	W153 K154 A400 P406 S409	L151-W153 VanDerWaalsContact C-N 3.25Å; L151-W153 HydrophobicContact CB-CD2 4.42Å; L151-W153 HydrophobicContact CB-CZ2 4.26Å; L151-W153 HydrophobicContact CD1-CZ2 4.03Å; L151-W153 HydrophobicContact CD2-CH2 3.92Å; L151-W153 HydrophobicContact CD2-CZ2 3.58Å; L151-W153 HydrophobicContact CG-CZ2 4.17Å; L151-W153 PolarHBondContact O-N 2.99Å; L151-K154 HydrophobicContact CB-CB 4.24Å; L151-K154 WeakPolarHBondContact O-CB 3.41Å; L151-K154 PolarHBondContact O-N 2.68Å; L151-A400 HydrophobicContact CD1-CB 3.79Å; L151-P406 HydrophobicContact CD2-CB 4.35Å; L151-P406 HydrophobicContact CD2-CG 4.2Å; L151-P406 HydrophobicContact CG-CG 4.1Å; L151-S409 WeakPolarHBondContact CD1-OG 3.46Å
152	P	94.5	Very high	91.4	Very high	27 Å²	27	63.8 Å²	63.8	18%	0.175	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.5	-171.9	26.3	-32.9	0	0	0	113.4	A145 W159 Y217	A145-P152 HydrophobicContact CB-CG 4.25Å; P152-W159 WeakPolarHBondContact O-CZ2 3.41Å; P152-Y217 HydrophobicContact CB-CD2 4.36Å; P152-Y217 HydrophobicContact CB-CE2 3.65Å; P152-Y217 HydrophobicContact CG-CE2 3.86Å; P152-Y217 WeakPolarHBondContact CG-OH 3.44Å
153	W	93.7	Very high	90.6	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	6.6	173.1	53.7	86.4	0	0	0	113.9	Y142 A145 S146 L151 P213 Y217 P396 F413	Y142-W153 HydrophobicContact CD1-CD2 4.37Å; Y142-W153 AromaticContact CD1-CE3 3.8Å; Y142-W153 HydrophobicContact CD1-CE3 3.8Å; Y142-W153 AromaticContact CD1-CH2 3.56Å; Y142-W153 HydrophobicContact CD1-CH2 3.56Å; Y142-W153 HydrophobicContact CD1-CZ2 4.14Å; Y142-W153 AromaticContact CD1-CZ3 3.37Å; Y142-W153 HydrophobicContact CD1-CZ3 3.37Å; Y142-W153 HydrophobicContact CE1-CD2 4.06Å; Y142-W153 AromaticContact CE1-CE3 3.61Å; Y142-W153 HydrophobicContact CE1-CE3 3.61Å; Y142-W153 HydrophobicContact CE1-CH2 4.21Å; Y142-W153 AromaticContact CE1-CZ3 3.7Å; Y142-W153 HydrophobicContact CE1-CZ3 3.7Å; Y142-W153 HydrophobicContact CG-CZ3 4.49Å; A145-W153 HydrophobicContact CB-CH2 4.41Å; A145-W153 HydrophobicContact CB-CZ3 3.84Å; S146-W153 WeakPolarHBondContact OG-CH2 3.43Å; L151-W153 VanDerWaalsContact C-N 3.25Å; L151-W153 HydrophobicContact CB-CD2 4.42Å; L151-W153 HydrophobicContact CB-CZ2 4.26Å; L151-W153 HydrophobicContact CD1-CZ2 4.03Å; L151-W153 HydrophobicContact CD2-CH2 3.92Å; L151-W153 HydrophobicContact CD2-CZ2 3.58Å; L151-W153 HydrophobicContact CG-CZ2 4.17Å; L151-W153 PolarHBondContact O-N 2.99Å; W153-P213 WeakPolarHBondContact O-CB 3.35Å; W153-Y217 HydrophobicContact CB-CD1 3.99Å; W153-Y217 HydrophobicContact CB-CD2 4.44Å; W153-Y217 HydrophobicContact CB-CG 3.83Å; W153-Y217 AromaticContact CE3-CD1 3.86Å; W153-Y217 HydrophobicContact CE3-CD1 3.86Å; W153-Y217 AromaticContact CE3-CE1 3.49Å; W153-Y217 HydrophobicContact CE3-CE1 3.49Å; W153-Y217 VanDerWaalsContact CE3-CE1 3.49Å; W153-Y217 AromaticContact CE3-CZ 3.9Å; W153-Y217 HydrophobicContact CZ3-CE1 4.02Å; W153-P396 HydrophobicContact CD2-CB 4.33Å; W153-P396 HydrophobicContact CG-CB 4.32Å; W153-P396 HydrophobicContact CZ2-CB 4.38Å; W153-P396 PolarHBondContact NE1-O 2.78Å; W153-F413 HydrophobicContact CH2-CE2 4.1Å; W153-F413 AromaticContact CZ2-CE2 3.94Å; W153-F413 HydrophobicContact CZ2-CE2 3.94Å
154	K	90	Very high	89.9	Confident	68 Å²	68	65.5 Å²	65.5	30%	0.296	35%	0.351	S	S	.	.	S	Bend	trans	-72.2	-45.8	-178.9	-176.4	173.9	167.4	-146.7	0	111.7	E150 L151 R166 A400	E150-K154 HydrophobicContact CG-CB 4.47Å; E150-K154 HydrophobicContact CG-CD 3.85Å; E150-K154 WeakPolarHBondContact OE1-CD 3.31Å; E150-K154 WeakPolarHBondContact OE1-CE 3.43Å; E150-K154 IonicContact OE1-NZ 3.12Å; E150-K154 PolarHBondContact OE1-NZ 3.4Å; L151-K154 HydrophobicContact CB-CB 4.24Å; L151-K154 WeakPolarHBondContact O-CB 3.41Å; L151-K154 PolarHBondContact O-N 2.68Å; K154-R166 PolarHBondContact O-NE 2.85Å; K154-R166 PolarHBondContact O-NH2 3.29Å; K154-A400 HydrophobicContact CB-CB 4.2Å; K154-A400 HydrophobicContact CG-CB 4.28Å
155	N	87.5	Confident	89	Confident	65 Å²	65	61.7 Å²	61.7	35%	0.348	34%	0.337	S	S	.	.	S	Bend	trans	-126	155.3	-174.9	-62.6	-38.2	0	0	0	110.9	E150 S157 R166	E150-N155 PolarHBondContact OE1-ND2 3.18Å; N155-S157 PolarHBondContact O-N 3.21Å; N155-R166 PolarHBondContact OD1-NH2 2.9Å
156	C	85.9	Confident	87.8	Confident	53 Å²	53	66.1 Å²	66.1	36%	0.358	35%	0.351	S	S	.	.			trans	-65.7	130.5	168.6	-57.4	0	0	0	0	109.3	S160 C164	C156-S160 WeakPolarHBondContact CB-OG 3.47Å; C156-C164 HydrophobicContact CB-CB 3.8Å; C156-C164 WeakPolarHBondContact CB-SG 3.45Å; C156-C164 WeakPolarHBondContact SG-CB 3.43Å; C156-C164 PolarHBondContact SG-O 3.19Å; C156-C164 CovalentContact SG-SG 2.03Å; C156-C164 PolarHBondContact SG-SG 3.29Å
157	S	84.4	Confident	86.4	Confident	70 Å²	70	69.1 Å²	69.1	49%	0.49	37%	0.372	S	S	.	.			trans	-130.9	-165.2	-177	-171.1	0	0	0	0	110.7	N155 W159 S160	N155-S157 PolarHBondContact O-N 3.21Å; S157-W159 PolarHBondContact O-N 2.91Å; S157-W159 VanDerWaalsContact O-N 3.11Å; S157-S160 PolarHBondContact N-OG 2.91Å; S157-S160 WeakPolarHBondContact O-CB 3.47Å; S157-S160 PolarHBondContact O-N 2.67Å; S157-S160 PolarHBondContact O-OG 3.11Å
158	S	86.9	Confident	84.6	Confident	121 Å²	121	66.4 Å²	66.4	85%	0.846	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.3	-176.2	57.7	0	0	0	0	114.7	S160	S158-S160 VanDerWaalsContact C-N 3.35Å
159	W	88.4	Confident	83.1	Confident	60 Å²	60	66 Å²	66	23%	0.227	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-10	177.4	53.2	-102.7	0	0	0	114	P152 S157 P213 Q216 Y217 V221	P152-W159 WeakPolarHBondContact O-CZ2 3.41Å; S157-W159 PolarHBondContact O-N 2.91Å; S157-W159 VanDerWaalsContact O-N 3.11Å; W159-P213 WeakPolarHBondContact CH2-O 3.47Å; W159-Q216 HydrophobicContact CZ3-CB 3.66Å; W159-Y217 HydrophobicContact CH2-CD2 4.35Å; W159-Y217 AromaticContact CZ2-CD2 3.96Å; W159-Y217 HydrophobicContact CZ2-CD2 3.96Å; W159-V221 HydrophobicContact CB-CG2 3.86Å; W159-V221 HydrophobicContact CD2-CG2 3.51Å; W159-V221 HydrophobicContact CE3-CG2 3.78Å; W159-V221 HydrophobicContact CG-CG2 3.53Å
160	S	88.3	Confident	81.8	Confident	29 Å²	29	60 Å²	60	20%	0.203	33%	0.326	C	S	.	.	S	Bend	trans	-90.4	150.7	-172.4	68.9	0	0	0	0	113.1	C156 S157 S158	C156-S160 WeakPolarHBondContact CB-OG 3.47Å; S157-S160 PolarHBondContact N-OG 2.91Å; S157-S160 WeakPolarHBondContact O-CB 3.47Å; S157-S160 PolarHBondContact O-N 2.67Å; S157-S160 PolarHBondContact O-OG 3.11Å; S158-S160 VanDerWaalsContact C-N 3.35Å
161	D	85.3	Confident	80.7	Confident	76 Å²	76	57 Å²	57	41%	0.406	31%	0.313	S	S	.	.			trans	-78.8	166.1	173.9	-77.3	-24	0	0	0	112.3	N163 C164 K220	D161-N163 WeakPolarHBondContact CB-OD1 3.39Å; D161-N163 PolarHBondContact O-N 2.96Å; D161-N163 VanDerWaalsContact O-N 3.12Å; D161-C164 WeakPolarHBondContact O-CB 3.45Å; D161-C164 PolarHBondContact O-N 3.38Å; D161-K220 IonicContact OD1-NZ 2.63Å; D161-K220 PolarHBondContact OD1-NZ 3.38Å; D161-K220 WeakPolarHBondContact OD2-CE 3.43Å; D161-K220 IonicContact OD2-NZ 2.68Å; D161-K220 PolarHBondContact OD2-NZ 3.1Å
162	K	78.6	Confident	79.7	Confident	192 Å²	192	57.5 Å²	57.5	84%	0.835	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.9	177.4	-63.9	-176.3	179	-178.5	0	114.2	C164	K162-C164 VanDerWaalsContact C-N 3.34Å
163	N	79.9	Confident	78.9	Confident	41 Å²	41	56.2 Å²	56.2	22%	0.219	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	4.3	177.6	67.9	-15.3	0	0	0	113.4	D161 S165 G210 Q211 Q216	D161-N163 WeakPolarHBondContact CB-OD1 3.39Å; D161-N163 PolarHBondContact O-N 2.96Å; D161-N163 VanDerWaalsContact O-N 3.12Å; N163-S165 PolarHBondContact O-N 3.48Å; N163-G210 WeakPolarHBondContact O-CA 3.36Å; N163-Q211 PolarHBondContact O-N 2.8Å; N163-Q216 PolarHBondContact OD1-NE2 3.05Å
164	C	83.4	Confident	78.3	Confident	13 Å²	13	58.6 Å²	58.6	9%	0.088	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-66.8	120.7	173.4	-176.4	0	0	0	0	109.9	C156 D161 K162 Q211	C156-C164 HydrophobicContact CB-CB 3.8Å; C156-C164 WeakPolarHBondContact CB-SG 3.45Å; C156-C164 WeakPolarHBondContact SG-CB 3.43Å; C156-C164 PolarHBondContact SG-O 3.19Å; C156-C164 CovalentContact SG-SG 2.03Å; C156-C164 PolarHBondContact SG-SG 3.29Å; D161-C164 WeakPolarHBondContact O-CB 3.45Å; D161-C164 PolarHBondContact O-N 3.38Å; K162-C164 VanDerWaalsContact C-N 3.34Å; C164-Q211 WeakPolarHBondContact CA-O 3.32Å
165	S	79.2	Confident	77.9	Confident	19 Å²	19	55.4 Å²	55.4	13%	0.133	31%	0.306	C	S	.	.			trans	-160.8	147.8	-179.4	-176.3	0	0	0	0	111.6	N163 S167 Q211	N163-S165 PolarHBondContact O-N 3.48Å; S165-S167 VanDerWaalsContact C-N 3.3Å; S165-S167 PolarHBondContact OG-N 3.17Å; S165-S167 PolarHBondContact OG-O 3.29Å; S165-Q211 PolarHBondContact N-O 3.4Å; S165-Q211 CarbonylContact O-C 3.4Å
166	R	72.2	Confident	77.6	Confident	103 Å²	103	55 Å²	55	39%	0.389	31%	0.308	S	S	.	.	S	Bend	trans	-74.3	-27.3	168.1	-69	-176.8	174.6	168.4	2.5	111.9	K154 N155 P213 K378	K154-R166 PolarHBondContact O-NE 2.85Å; K154-R166 PolarHBondContact O-NH2 3.29Å; N155-R166 PolarHBondContact OD1-NH2 2.9Å; R166-P213 HydrophobicContact CG-CG 4.06Å; R166-K378 PolarHBondContact O-NZ 3.44Å
167	S	67.6	Low	76.9	Confident	63 Å²	63	53.9 Å²	53.9	44%	0.441	30%	0.3	S	S	.	.	S	Bend	trans	-79.6	138.3	176.8	-60.4	0	0	0	0	110.4	S165 I169	S165-S167 VanDerWaalsContact C-N 3.3Å; S165-S167 PolarHBondContact OG-N 3.17Å; S165-S167 PolarHBondContact OG-O 3.29Å; S167-I169 PolarHBondContact O-N 3.3Å
168	P	59.3	Low	76.1	Confident	69 Å²	69	56 Å²	56	45%	0.448	31%	0.309	S	S	.	.	S	Bend	trans	-67.6	-22.8	-176	27.9	-32.2	0	0	0	112.6	G210	P168-G210 PolarHBondContact O-N 3.48Å
169	I	62.6	Low	75	Confident	97 Å²	97	55 Å²	55	50%	0.497	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.3	177.7	-58.7	173.8	0	0	0	107.3	S167 Y207	S167-I169 PolarHBondContact O-N 3.3Å; I169-Y207 HydrophobicContact CG2-CD1 3.66Å; I169-Y207 HydrophobicContact CG2-CG 4.4Å
170	V	62.3	Low	73.7	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.012	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117.2	167.2	-171.6	0	0	0	0	106.6	H172 Q208	V170-H172 WeakPolarHBondContact CG1-NE2 3.45Å; V170-Q208 PolarHBondContact N-O 3.13Å; V170-Q208 PolarHBondContact O-N 2.66Å
171	T	68.7	Low	72.8	Confident	24 Å²	24	64 Å²	64	15%	0.147	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.3	173.6	-50.4	0	0	0	0	106.9	N189 K190 E205 Y207	T171-N189 PolarHBondContact O-OD1 3.17Å; T171-K190 HydrophobicContact CG2-CB 4.08Å; T171-K190 HydrophobicContact CG2-CD 3.64Å; T171-K190 WeakPolarHBondContact O-CB 3.34Å; T171-K190 PolarHBondContact O-N 3.32Å; T171-E205 HydrophobicContact CG2-CB 4.14Å; T171-E205 HydrophobicContact CG2-CG 4.29Å; T171-Y207 HydrophobicContact CG2-CD1 4.35Å; T171-Y207 HydrophobicContact CG2-CE1 4.05Å
172	H	74.3	Confident	72	Confident	16 Å²	16	65.8 Å²	65.8	7%	0.074	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	148.7	168	-70.4	-81	0	0	0	109.6	V170 Q187 M188 E205 I206	V170-H172 WeakPolarHBondContact CG1-NE2 3.45Å; H172-Q187 HydrophobicContact CB-CG 3.89Å; H172-Q187 VanDerWaalsContact CB-NE2 3.34Å; H172-M188 CarbonylContact C-O 3.54Å; H172-M188 VanDerWaalsContact CA-O 3.24Å; H172-M188 WeakPolarHBondContact CA-O 3.29Å; H172-M188 PolarHBondContact ND1-O 2.96Å; H172-E205 CarbonylContact O-C 3.52Å; H172-E205 VanDerWaalsContact O-CA 3.28Å; H172-E205 WeakPolarHBondContact O-CA 3.35Å; H172-I206 HydrophobicContact CB-CB 4.48Å; H172-I206 PolarHBondContact N-O 3.45Å; H172-I206 PolarHBondContact O-N 2.67Å
173	C	78.1	Confident	71.7	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	157	169.5	75.4	0	0	0	0	111	M188 C200 E205	C173-M188 PolarHBondContact N-O 2.91Å; C173-M188 PolarHBondContact O-N 3.46Å; C173-C200 HydrophobicContact CB-CB 3.47Å; C173-C200 VanDerWaalsContact CB-CB 3.47Å; C173-C200 WeakPolarHBondContact CB-SG 3.49Å; C173-C200 VanDerWaalsContact SG-CA 3.57Å; C173-C200 WeakPolarHBondContact SG-CB 3.47Å; C173-C200 CovalentContact SG-SG 2.03Å; C173-C200 PolarHBondContact SG-SG 2.57Å; C173-E205 HydrophobicContact CB-CG 4.47Å
174	N	82.4	Confident	71.5	Confident	49 Å²	49	66.1 Å²	66.1	26%	0.262	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.6	177.3	-72.6	-8.8	0	0	0	109.6	I185 Q187 I201 S204	N174-I185 HydrophobicContact CB-CG2 3.66Å; N174-Q187 WeakPolarHBondContact OD1-CB 3.43Å; N174-I201 HydrophobicContact CB-CD1 4.03Å; N174-I201 WeakPolarHBondContact O-CG1 3.16Å; N174-I201 PolarHBondContact O-N 3Å; N174-S204 PolarHBondContact N-OG 2.82Å
175	V	81.4	Confident	71.3	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.012	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.5	175.6	-177.9	0	0	0	0	108.7	T177 I186 M188 V193 F198	V175-T177 HydrophobicContact CG1-CG2 4.36Å; V175-I186 PolarHBondContact N-O 3.2Å; V175-I186 PolarHBondContact O-N 3.01Å; V175-M188 HydrophobicContact CG2-CB 4.29Å; V175-M188 HydrophobicContact CG2-CG 4.49Å; V175-V193 HydrophobicContact CG2-CB 4.42Å; V175-V193 HydrophobicContact CG2-CG1 4.03Å; V175-V193 HydrophobicContact CG2-CG2 3.48Å; V175-V193 VanDerWaalsContact CG2-CG2 3.48Å; V175-F198 HydrophobicContact CG1-CB 3.72Å; V175-F198 HydrophobicContact CG1-CD1 3.59Å; V175-F198 HydrophobicContact CG1-CE1 4.4Å; V175-F198 HydrophobicContact CG1-CG 3.77Å; V175-F198 HydrophobicContact CG2-CB 4.24Å
176	S	79.5	Confident	71.3	Confident	55 Å²	55	73 Å²	73	39%	0.385	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	114.4	170.8	57.1	0	0	0	0	110.1
177	T	71.3	Confident	71.6	Confident	30 Å²	30	72.5 Å²	72.5	18%	0.184	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.1	173.9	53.2	0	0	0	0	109.8	V175 E184 I186	V175-T177 HydrophobicContact CG1-CG2 4.36Å; T177-E184 PolarHBondContact N-O 2.95Å; T177-E184 PolarHBondContact O-N 3.08Å; T177-E184 PolarHBondContact OG1-O 3.47Å; T177-I186 WeakPolarHBondContact OG1-CD1 3.3Å
178	V	69.3	Low	72	Confident	114 Å²	114	71.8 Å²	71.8	69%	0.691	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	111.3	174.4	-178.9	0	0	0	0	108.3
179	N	63.2	Low	72.6	Confident	101 Å²	101	70.7 Å²	70.7	54%	0.54	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	115.8	176.6	-148.9	-0.7	0	0	0	109	G181 I182	N179-G181 VanDerWaalsContact C-N 3.29Å; N179-G181 PolarHBondContact O-N 2.84Å; N179-I182 PolarHBondContact N-O 3.34Å; N179-I182 PolarHBondContact O-N 2.88Å
180	K	61.3	Low	73	Confident	204 Å²	204	68.9 Å²	68.9	89%	0.887	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	40.2	-176.3	-60.6	-179	177.5	177.5	0	114.8	I182	K180-I182 VanDerWaalsContact C-N 3.27Å; K180-I182 PolarHBondContact O-N 2.82Å
181	G	67.9	Low	73.4	Confident	73 Å²	73	72.1 Å²	72.1	75%	0.753	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	1.1	176.7	0	0	0	0	0	115.3	N179	N179-G181 VanDerWaalsContact C-N 3.29Å; N179-G181 PolarHBondContact O-N 2.84Å
182	I	69.5	Low	73.5	Confident	114 Å²	114	76.1 Å²	76.1	59%	0.585	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.9	172.2	-59.4	175	0	0	0	108.5	N179 K180 E184	N179-I182 PolarHBondContact N-O 3.34Å; N179-I182 PolarHBondContact O-N 2.88Å; K180-I182 VanDerWaalsContact C-N 3.27Å; K180-I182 PolarHBondContact O-N 2.82Å; I182-E184 HydrophobicContact CG2-CG 4.46Å; I182-E184 PolarHBondContact O-N 2.74Å
183	Q	72.4	Confident	73.4	Confident	148 Å²	148	75.3 Å²	75.3	69%	0.692	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	109	175.8	-166.4	171.7	-2	0	0	108.8
184	E	76.5	Confident	72.9	Confident	93 Å²	93	79.8 Å²	79.8	44%	0.435	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.3	175.8	-75.2	-176.3	158.9	0	0	110.1	T177 I182 I186	T177-E184 PolarHBondContact N-O 2.95Å; T177-E184 PolarHBondContact O-N 3.08Å; T177-E184 PolarHBondContact OG1-O 3.47Å; I182-E184 HydrophobicContact CG2-CG 4.46Å; I182-E184 PolarHBondContact O-N 2.74Å; E184-I186 HydrophobicContact CB-CG1 4.48Å
185	I	79.2	Confident	72.4	Confident	112 Å²	112	83.9 Å²	83.9	57%	0.574	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.2	174.2	-59.4	176.9	0	0	0	107.4	N174 I201	N174-I185 HydrophobicContact CB-CG2 3.66Å; I185-I201 HydrophobicContact CG2-CD1 4.29Å
186	I	78.8	Confident	72.3	Confident	63 Å²	63	87.2 Å²	87.2	32%	0.323	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.6	179.8	-49.8	176.7	0	0	0	109.1	V175 T177 E184 M188	V175-I186 PolarHBondContact N-O 3.2Å; V175-I186 PolarHBondContact O-N 3.01Å; T177-I186 WeakPolarHBondContact OG1-CD1 3.3Å; E184-I186 HydrophobicContact CB-CG1 4.48Å; I186-M188 HydrophobicContact CB-CE 4.33Å; I186-M188 HydrophobicContact CG2-CE 3.78Å; I186-M188 HydrophobicContact CG2-CG 4.4Å; I186-M188 PolarHBondContact O-N 2.99Å
187	Q	78.5	Confident	72.2	Confident	93 Å²	93	91.7 Å²	91.7	44%	0.435	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.8	174.2	-172.2	179.7	-20.6	0	0	109.7	H172 N174	H172-Q187 HydrophobicContact CB-CG 3.89Å; H172-Q187 VanDerWaalsContact CB-NE2 3.34Å; N174-Q187 WeakPolarHBondContact OD1-CB 3.43Å
188	M	74.4	Confident	72.7	Confident	49 Å²	49	94.1 Å²	94.1	24%	0.241	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	157.9	-176.3	-70.4	-86.4	176.2	0	0	110.2	H172 C173 V175 I186 W192 V193	H172-M188 CarbonylContact C-O 3.54Å; H172-M188 VanDerWaalsContact CA-O 3.24Å; H172-M188 WeakPolarHBondContact CA-O 3.29Å; H172-M188 PolarHBondContact ND1-O 2.96Å; C173-M188 PolarHBondContact N-O 2.91Å; C173-M188 PolarHBondContact O-N 3.46Å; V175-M188 HydrophobicContact CG2-CB 4.29Å; V175-M188 HydrophobicContact CG2-CG 4.49Å; I186-M188 HydrophobicContact CB-CE 4.33Å; I186-M188 HydrophobicContact CG2-CE 3.78Å; I186-M188 HydrophobicContact CG2-CG 4.4Å; I186-M188 PolarHBondContact O-N 2.99Å; M188-W192 HydrophobicContact CB-CE3 4.22Å; M188-W192 HydrophobicContact CE-CH2 4.34Å; M188-W192 HydrophobicContact CE-CZ3 4.29Å; M188-W192 HydrophobicContact CG-CE3 4.18Å; M188-W192 HydrophobicContact CG-CZ3 4.17Å; M188-W192 HydrophobicContact SD-CD2 4.13Å; M188-W192 HydrophobicContact SD-CE3 3.65Å; M188-W192 HydrophobicContact SD-CH2 4.13Å; M188-W192 HydrophobicContact SD-CZ3 3.65Å; M188-V193 HydrophobicContact CB-CG2 3.59Å
189	N	73.9	Confident	73.1	Confident	45 Å²	45	95.6 Å²	95.6	24%	0.241	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.6	171.2	-179.4	-10.5	0	0	0	109	T171 S191 W192 V193	T171-N189 PolarHBondContact O-OD1 3.17Å; N189-S191 PolarHBondContact O-N 2.89Å; N189-S191 PolarHBondContact OD1-N 3.43Å; N189-S191 VanDerWaalsContact OD1-N 3.14Å; N189-W192 HydrophobicContact CB-CB 4.41Å; N189-W192 WeakPolarHBondContact O-CA 3.27Å; N189-W192 VanDerWaalsContact O-CB 3.31Å; N189-W192 WeakPolarHBondContact O-CB 3.35Å; N189-W192 PolarHBondContact O-N 3.48Å; N189-V193 WeakPolarHBondContact O-CG2 3.44Å; N189-V193 PolarHBondContact O-N 2.66Å
190	K	71.1	Confident	73.8	Confident	60 Å²	60	91.8 Å²	91.8	26%	0.261	47%	0.473	S	S	.	.	H	α-helix	trans	-53.4	-39	-179.6	-173.8	170.5	179.1	171.5	0	112.4	T171 W192 V193 D194 E205	T171-K190 HydrophobicContact CG2-CB 4.08Å; T171-K190 HydrophobicContact CG2-CD 3.64Å; T171-K190 WeakPolarHBondContact O-CB 3.34Å; T171-K190 PolarHBondContact O-N 3.32Å; K190-W192 VanDerWaalsContact C-N 3.26Å; K190-W192 PolarHBondContact O-N 3.24Å; K190-V193 WeakPolarHBondContact O-CB 3.39Å; K190-V193 PolarHBondContact O-N 2.88Å; K190-V193 VanDerWaalsContact O-N 3.1Å; K190-D194 PolarHBondContact O-N 2.95Å; K190-E205 IonicContact NZ-OE1 2.68Å; K190-E205 PolarHBondContact NZ-OE1 3.44Å
191	S	69.3	Low	74.8	Confident	70 Å²	70	85.4 Å²	85.4	49%	0.49	45%	0.448	S	S	.	.	H	α-helix	trans	-62.5	-33.2	175.3	-54.1	0	0	0	0	113	N189 I195	N189-S191 PolarHBondContact O-N 2.89Å; N189-S191 PolarHBondContact OD1-N 3.43Å; N189-S191 VanDerWaalsContact OD1-N 3.14Å; S191-I195 VanDerWaalsContact O-CD1 3.29Å; S191-I195 WeakPolarHBondContact O-CD1 3.4Å; S191-I195 WeakPolarHBondContact O-CG1 3.43Å; S191-I195 PolarHBondContact O-N 2.87Å
192	W	71.9	Confident	75.2	Confident	107 Å²	107	89.8 Å²	89.8	41%	0.405	45%	0.454	S	S	.	.	H	α-helix	trans	-74.6	-38.8	173.6	-175.2	96.1	0	0	0	111.3	M188 N189 K190 I195 N196 F198	M188-W192 HydrophobicContact CB-CE3 4.22Å; M188-W192 HydrophobicContact CE-CH2 4.34Å; M188-W192 HydrophobicContact CE-CZ3 4.29Å; M188-W192 HydrophobicContact CG-CE3 4.18Å; M188-W192 HydrophobicContact CG-CZ3 4.17Å; M188-W192 HydrophobicContact SD-CD2 4.13Å; M188-W192 HydrophobicContact SD-CE3 3.65Å; M188-W192 HydrophobicContact SD-CH2 4.13Å; M188-W192 HydrophobicContact SD-CZ3 3.65Å; N189-W192 HydrophobicContact CB-CB 4.41Å; N189-W192 WeakPolarHBondContact O-CA 3.27Å; N189-W192 VanDerWaalsContact O-CB 3.31Å; N189-W192 WeakPolarHBondContact O-CB 3.35Å; N189-W192 PolarHBondContact O-N 3.48Å; K190-W192 VanDerWaalsContact C-N 3.26Å; K190-W192 PolarHBondContact O-N 3.24Å; W192-I195 PolarHBondContact O-N 2.94Å; W192-N196 VanDerWaalsContact CD2-ND2 3.29Å; W192-N196 HydrophobicContact CE3-CB 4.41Å; W192-N196 HydrophobicContact CH2-CB 4.25Å; W192-N196 HydrophobicContact CZ2-CB 4.48Å; W192-N196 HydrophobicContact CZ3-CB 4.21Å; W192-N196 PolarHBondContact NE1-ND2 2.89Å; W192-N196 WeakPolarHBondContact O-CB 3.18Å; W192-N196 PolarHBondContact O-N 3.47Å; W192-N196 PolarHBondContact O-ND2 3.44Å; W192-F198 HydrophobicContact CH2-CD2 4.09Å; W192-F198 AromaticContact CH2-CE2 3.73Å; W192-F198 HydrophobicContact CH2-CE2 3.73Å; W192-F198 AromaticContact CZ3-CD2 3.62Å; W192-F198 HydrophobicContact CZ3-CD2 3.62Å; W192-F198 AromaticContact CZ3-CE2 3.76Å; W192-F198 HydrophobicContact CZ3-CE2 3.76Å
193	V	71.7	Confident	75.3	Confident	0 Å²	0	88.3 Å²	88.3	0%	0	47%	0.468	C	S	.	.	H	α-helix	trans	-59.3	-46.9	175.6	172.8	0	0	0	0	110.8	V175 M188 N189 K190 N196 N197 F198	V175-V193 HydrophobicContact CG2-CB 4.42Å; V175-V193 HydrophobicContact CG2-CG1 4.03Å; V175-V193 HydrophobicContact CG2-CG2 3.48Å; V175-V193 VanDerWaalsContact CG2-CG2 3.48Å; M188-V193 HydrophobicContact CB-CG2 3.59Å; N189-V193 WeakPolarHBondContact O-CG2 3.44Å; N189-V193 PolarHBondContact O-N 2.66Å; K190-V193 WeakPolarHBondContact O-CB 3.39Å; K190-V193 PolarHBondContact O-N 2.88Å; K190-V193 VanDerWaalsContact O-N 3.1Å; V193-N196 CarbonylContact O-C 3.35Å; V193-N196 PolarHBondContact O-N 3.05Å; V193-N197 PolarHBondContact O-N 3.11Å; V193-N197 VanDerWaalsContact O-N 3.08Å; V193-F198 HydrophobicContact CB-CB 4.43Å; V193-F198 HydrophobicContact CG1-CB 3.7Å; V193-F198 WeakPolarHBondContact CG1-O 3.44Å; V193-F198 PolarHBondContact O-N 3.46Å
194	D	66.6	Low	75.6	Confident	93 Å²	93	82.1 Å²	82.1	50%	0.497	44%	0.44	S	S	.	.	H	α-helix	trans	-63.7	-42.8	178.2	-64.1	-24.4	0	0	0	111.7	K190 N196 N197	K190-D194 PolarHBondContact O-N 2.95Å; D194-N196 VanDerWaalsContact C-N 3.32Å; D194-N196 PolarHBondContact O-N 3.38Å; D194-N197 PolarHBondContact O-N 3.34Å
195	I	73.7	Confident	75.5	Confident	135 Å²	135	81 Å²	81	69%	0.692	44%	0.435	S	S	*	.	H	α-helix	trans	-64.1	-37.4	177.3	-71.2	166.3	0	0	0	111.9	S191 W192 N197	S191-I195 VanDerWaalsContact O-CD1 3.29Å; S191-I195 WeakPolarHBondContact O-CD1 3.4Å; S191-I195 WeakPolarHBondContact O-CG1 3.43Å; S191-I195 PolarHBondContact O-N 2.87Å; W192-I195 PolarHBondContact O-N 2.94Å; I195-N197 VanDerWaalsContact C-N 3.34Å
196	N	77.8	Confident	75.3	Confident	72 Å²	72	79 Å²	79	39%	0.385	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	11.3	-177	-68.7	-88.3	0	0	0	112.9	W192 V193 D194 F198	W192-N196 VanDerWaalsContact CD2-ND2 3.29Å; W192-N196 HydrophobicContact CE3-CB 4.41Å; W192-N196 HydrophobicContact CH2-CB 4.25Å; W192-N196 HydrophobicContact CZ2-CB 4.48Å; W192-N196 HydrophobicContact CZ3-CB 4.21Å; W192-N196 PolarHBondContact NE1-ND2 2.89Å; W192-N196 WeakPolarHBondContact O-CB 3.18Å; W192-N196 PolarHBondContact O-N 3.47Å; W192-N196 PolarHBondContact O-ND2 3.44Å; V193-N196 CarbonylContact O-C 3.35Å; V193-N196 PolarHBondContact O-N 3.05Å; D194-N196 VanDerWaalsContact C-N 3.32Å; D194-N196 PolarHBondContact O-N 3.38Å; N196-F198 HydrophobicContact CB-CD2 3.56Å; N196-F198 HydrophobicContact CB-CE2 3.74Å; N196-F198 PolarHBondContact O-N 3.44Å
197	N	78.6	Confident	75	Confident	150 Å²	150	83 Å²	83	80%	0.802	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	31.6	-179.3	-66.5	-36.2	0	0	0	114.4	V193 D194 I195	V193-N197 PolarHBondContact O-N 3.11Å; V193-N197 VanDerWaalsContact O-N 3.08Å; D194-N197 PolarHBondContact O-N 3.34Å; I195-N197 VanDerWaalsContact C-N 3.34Å
198	F	80.7	Confident	74.5	Confident	80 Å²	80	82.1 Å²	82.1	35%	0.351	43%	0.433	S	S	.	.			trans	-84.1	159.1	170.4	-74.6	-72.3	0	0	0	110.4	V175 W192 V193 N196	V175-F198 HydrophobicContact CG1-CB 3.72Å; V175-F198 HydrophobicContact CG1-CD1 3.59Å; V175-F198 HydrophobicContact CG1-CE1 4.4Å; V175-F198 HydrophobicContact CG1-CG 3.77Å; V175-F198 HydrophobicContact CG2-CB 4.24Å; W192-F198 HydrophobicContact CH2-CD2 4.09Å; W192-F198 AromaticContact CH2-CE2 3.73Å; W192-F198 HydrophobicContact CH2-CE2 3.73Å; W192-F198 AromaticContact CZ3-CD2 3.62Å; W192-F198 HydrophobicContact CZ3-CD2 3.62Å; W192-F198 AromaticContact CZ3-CE2 3.76Å; W192-F198 HydrophobicContact CZ3-CE2 3.76Å; V193-F198 HydrophobicContact CB-CB 4.43Å; V193-F198 HydrophobicContact CG1-CB 3.7Å; V193-F198 WeakPolarHBondContact CG1-O 3.44Å; V193-F198 PolarHBondContact O-N 3.46Å; N196-F198 HydrophobicContact CB-CD2 3.56Å; N196-F198 HydrophobicContact CB-CE2 3.74Å; N196-F198 PolarHBondContact O-N 3.44Å
199	I	79	Confident	74.3	Confident	145 Å²	145	84.7 Å²	84.7	74%	0.744	45%	0.453	S	S	*	.			trans	-111.4	128.6	178.7	-55.8	174.8	0	0	0	108.6
200	C	77.5	Confident	74.2	Confident	22 Å²	22	83.4 Å²	83.4	15%	0.149	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-66.7	136.6	172	-65.2	0	0	0	0	110.6	C173 N202	C173-C200 HydrophobicContact CB-CB 3.47Å; C173-C200 VanDerWaalsContact CB-CB 3.47Å; C173-C200 WeakPolarHBondContact CB-SG 3.49Å; C173-C200 VanDerWaalsContact SG-CA 3.57Å; C173-C200 WeakPolarHBondContact SG-CB 3.47Å; C173-C200 CovalentContact SG-SG 2.03Å; C173-C200 PolarHBondContact SG-SG 2.57Å; C200-N202 PolarHBondContact O-N 3.28Å
201	I	82.8	Confident	74.6	Confident	69 Å²	69	83.9 Å²	83.9	35%	0.354	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-63.4	129.1	169.3	-62.5	169.1	0	0	0	108.7	N174 I185 G203 S204	N174-I201 HydrophobicContact CB-CD1 4.03Å; N174-I201 WeakPolarHBondContact O-CG1 3.16Å; N174-I201 PolarHBondContact O-N 3Å; I185-I201 HydrophobicContact CG2-CD1 4.29Å; I201-G203 PolarHBondContact O-N 3.48Å; I201-S204 VanDerWaalsContact O-CB 3.32Å; I201-S204 WeakPolarHBondContact O-CB 3.41Å; I201-S204 PolarHBondContact O-N 2.74Å; I201-S204 PolarHBondContact O-OG 3.38Å
202	N	74.9	Confident	75.3	Confident	165 Å²	165	81.6 Å²	81.6	88%	0.882	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	127.6	-179.2	-88.2	-7.1	0	0	0	111.4	C200 S204	C200-N202 PolarHBondContact O-N 3.28Å; N202-S204 VanDerWaalsContact C-N 3.35Å
203	G	71.4	Confident	76.2	Confident	84 Å²	84	76.6 Å²	76.6	87%	0.866	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	4.1	-179.3	0	0	0	0	0	115.6	I201	I201-G203 PolarHBondContact O-N 3.48Å
204	S	78.9	Confident	77.1	Confident	17 Å²	17	76.6 Å²	76.6	12%	0.119	42%	0.417	C	S	.	.			trans	-90.8	7.6	177.2	70.2	0	0	0	0	114.7	N174 I201 N202 I206	N174-S204 PolarHBondContact N-OG 2.82Å; I201-S204 VanDerWaalsContact O-CB 3.32Å; I201-S204 WeakPolarHBondContact O-CB 3.41Å; I201-S204 PolarHBondContact O-N 2.74Å; I201-S204 PolarHBondContact O-OG 3.38Å; N202-S204 VanDerWaalsContact C-N 3.35Å; S204-I206 PolarHBondContact O-N 3.24Å
205	E	75.5	Confident	78.2	Confident	69 Å²	69	74.1 Å²	74.1	32%	0.322	40%	0.403	S	S	.	.			trans	-73.8	118.5	-177.3	-64.6	-172.8	155.8	0	0	111.4	T171 H172 C173 K190 Y207	T171-E205 HydrophobicContact CG2-CB 4.14Å; T171-E205 HydrophobicContact CG2-CG 4.29Å; H172-E205 CarbonylContact O-C 3.52Å; H172-E205 VanDerWaalsContact O-CA 3.28Å; H172-E205 WeakPolarHBondContact O-CA 3.35Å; C173-E205 HydrophobicContact CB-CG 4.47Å; K190-E205 IonicContact NZ-OE1 2.68Å; K190-E205 PolarHBondContact NZ-OE1 3.44Å; E205-Y207 HydrophobicContact CB-CE2 4.23Å; E205-Y207 PolarHBondContact OE2-OH 3.49Å
206	I	74.6	Confident	79	Confident	72 Å²	72	67.7 Å²	67.7	37%	0.369	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	118.7	176.2	-56.5	171.7	0	0	0	108	H172 S204 Q208	H172-I206 HydrophobicContact CB-CB 4.48Å; H172-I206 PolarHBondContact N-O 3.45Å; H172-I206 PolarHBondContact O-N 2.67Å; S204-I206 PolarHBondContact O-N 3.24Å; I206-Q208 HydrophobicContact CG2-CG 4Å
207	Y	72.6	Confident	79.9	Confident	145 Å²	145	64.7 Å²	64.7	57%	0.569	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	110.3	176.2	-60.9	-81	0	0	0	109.2	I169 T171 E205	I169-Y207 HydrophobicContact CG2-CD1 3.66Å; I169-Y207 HydrophobicContact CG2-CG 4.4Å; T171-Y207 HydrophobicContact CG2-CD1 4.35Å; T171-Y207 HydrophobicContact CG2-CE1 4.05Å; E205-Y207 HydrophobicContact CB-CE2 4.23Å; E205-Y207 PolarHBondContact OE2-OH 3.49Å
208	Q	68.6	Low	80.6	Confident	75 Å²	75	57.6 Å²	57.6	35%	0.35	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.7	173.9	-67	-169.9	-6.2	0	0	110.9	V170 I206 G210	V170-Q208 PolarHBondContact N-O 3.13Å; V170-Q208 PolarHBondContact O-N 2.66Å; I206-Q208 HydrophobicContact CG2-CG 4Å; Q208-G210 PolarHBondContact O-N 3.3Å
209	P	69.6	Low	81.2	Confident	103 Å²	103	54.7 Å²	54.7	67%	0.669	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	120.3	172.6	26.2	-31.4	0	0	0	109.5
210	G	71.5	Confident	81.9	Confident	19 Å²	19	51.5 Å²	51.5	20%	0.196	28%	0.284	C	S	.	.			trans	-78.1	141.4	176.1	0	0	0	0	0	111.6	N163 P168 Q208	N163-G210 WeakPolarHBondContact O-CA 3.36Å; P168-G210 PolarHBondContact O-N 3.48Å; Q208-G210 PolarHBondContact O-N 3.3Å
211	Q	79.9	Confident	82.7	Confident	69 Å²	69	52.1 Å²	52.1	32%	0.322	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-105.8	138.4	172.8	-74.1	-174.2	-18	0	0	111.1	N163 C164 S165 Q216	N163-Q211 PolarHBondContact O-N 2.8Å; C164-Q211 WeakPolarHBondContact CA-O 3.32Å; S165-Q211 PolarHBondContact N-O 3.4Å; S165-Q211 CarbonylContact O-C 3.4Å; Q211-Q216 HydrophobicContact CB-CG 4.09Å
212	L	83.9	Confident	83.4	Confident	23 Å²	23	48.9 Å²	48.9	12%	0.12	27%	0.271	C	S	.	.			trans	-62.9	145.8	-178.6	-69.9	169	0	0	0	111.3	S214 E215 Q216 E397	L212-S214 VanDerWaalsContact C-N 3.28Å; L212-S214 PolarHBondContact O-N 2.72Å; L212-E215 HydrophobicContact CB-CB 4.19Å; L212-E215 WeakPolarHBondContact O-CB 3.42Å; L212-E215 PolarHBondContact O-N 2.69Å; L212-Q216 PolarHBondContact O-N 3.4Å; L212-Q216 VanDerWaalsContact O-N 3.11Å; L212-E397 HydrophobicContact CD1-CG 4.46Å
213	P	89.5	Confident	84.4	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-55.8	-42.8	175.1	-22.5	31.8	0	0	0	112.4	W153 W159 R166 E215 Q216 Y217	W153-P213 WeakPolarHBondContact O-CB 3.35Å; W159-P213 WeakPolarHBondContact CH2-O 3.47Å; R166-P213 HydrophobicContact CG-CG 4.06Å; P213-E215 VanDerWaalsContact C-N 3.33Å; P213-E215 PolarHBondContact O-N 2.88Å; P213-Q216 PolarHBondContact O-N 2.84Å; P213-Y217 VanDerWaalsContact O-CB 3.3Å; P213-Y217 WeakPolarHBondContact O-CB 3.17Å; P213-Y217 PolarHBondContact O-N 3.31Å
214	S	90.9	Very high	85.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-38	173.8	48.2	0	0	0	0	114.4	L212 Y217 W218 I393 E397	L212-S214 VanDerWaalsContact C-N 3.28Å; L212-S214 PolarHBondContact O-N 2.72Å; S214-Y217 PolarHBondContact O-N 2.92Å; S214-W218 WeakPolarHBondContact O-CB 3.46Å; S214-W218 PolarHBondContact O-N 3.37Å; S214-I393 WeakPolarHBondContact CB-O 3.37Å; S214-I393 PolarHBondContact OG-O 3.1Å; S214-E397 VanDerWaalsContact CB-OE2 3.29Å; S214-E397 WeakPolarHBondContact CB-OE2 3.01Å; S214-E397 WeakPolarHBondContact OG-CB 3.36Å; S214-E397 PolarHBondContact OG-OE2 3.12Å
215	E	89.6	Confident	86.3	Confident	41 Å²	41	43.6 Å²	43.6	19%	0.192	21%	0.213	C	C	.	.	H	α-helix	trans	-69.1	-44.1	178.3	174.1	163.9	-153.3	0	0	111.7	L212 P213 W218 N219 K385 I393	L212-E215 HydrophobicContact CB-CB 4.19Å; L212-E215 WeakPolarHBondContact O-CB 3.42Å; L212-E215 PolarHBondContact O-N 2.69Å; P213-E215 VanDerWaalsContact C-N 3.33Å; P213-E215 PolarHBondContact O-N 2.88Å; E215-W218 PolarHBondContact O-N 2.81Å; E215-N219 PolarHBondContact O-N 3.18Å; E215-N219 PolarHBondContact O-ND2 3.41Å; E215-K385 IonicContact OE1-NZ 2.88Å; E215-K385 PolarHBondContact OE1-NZ 2.78Å; E215-K385 IonicContact OE2-NZ 2.92Å; E215-K385 PolarHBondContact OE2-NZ 3.43Å; E215-I393 HydrophobicContact CB-CD1 4.31Å; E215-I393 HydrophobicContact CB-CG2 3.74Å; E215-I393 HydrophobicContact CG-CD1 4.24Å
216	Q	91.7	Very high	87.2	Confident	1 Å²	1	41 Å²	41	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-69.8	-36.1	175.9	-69.7	-161	10.3	0	0	111.8	W159 N163 Q211 L212 P213 N219 K220	W159-Q216 HydrophobicContact CZ3-CB 3.66Å; N163-Q216 PolarHBondContact OD1-NE2 3.05Å; Q211-Q216 HydrophobicContact CB-CG 4.09Å; L212-Q216 PolarHBondContact O-N 3.4Å; L212-Q216 VanDerWaalsContact O-N 3.11Å; P213-Q216 PolarHBondContact O-N 2.84Å; Q216-N219 PolarHBondContact O-N 3.47Å; Q216-K220 VanDerWaalsContact O-CB 3.24Å; Q216-K220 WeakPolarHBondContact O-CB 3.3Å; Q216-K220 PolarHBondContact O-N 2.91Å
217	Y	95.1	Very high	88	Confident	9 Å²	9	41.2 Å²	41.2	4%	0.035	21%	0.21	C	C	.	.	I	π-helix	trans	-60.2	-47.6	174.1	-176.8	-94.9	0	0	0	110.8	Y141 Y142 P152 W153 W159 P213 S214 N219 V221 A222	Y141-Y217 HydrophobicContact CE1-CE1 4.04Å; Y141-Y217 PolarHBondContact OH-OH 3.12Å; Y141-Y217 VanDerWaalsContact OH-OH 3.08Å; Y142-Y217 HydrophobicContact CD1-CE1 4.48Å; Y142-Y217 AromaticContact CE1-CD1 3.93Å; Y142-Y217 HydrophobicContact CE1-CD1 3.93Å; Y142-Y217 AromaticContact CE1-CE1 3.75Å; Y142-Y217 HydrophobicContact CE1-CE1 3.75Å; P152-Y217 HydrophobicContact CB-CD2 4.36Å; P152-Y217 HydrophobicContact CB-CE2 3.65Å; P152-Y217 HydrophobicContact CG-CE2 3.86Å; P152-Y217 WeakPolarHBondContact CG-OH 3.44Å; W153-Y217 HydrophobicContact CB-CD1 3.99Å; W153-Y217 HydrophobicContact CB-CD2 4.44Å; W153-Y217 HydrophobicContact CB-CG 3.83Å; W153-Y217 AromaticContact CE3-CD1 3.86Å; W153-Y217 HydrophobicContact CE3-CD1 3.86Å; W153-Y217 AromaticContact CE3-CE1 3.49Å; W153-Y217 HydrophobicContact CE3-CE1 3.49Å; W153-Y217 VanDerWaalsContact CE3-CE1 3.49Å; W153-Y217 AromaticContact CE3-CZ 3.9Å; W153-Y217 HydrophobicContact CZ3-CE1 4.02Å; W159-Y217 HydrophobicContact CH2-CD2 4.35Å; W159-Y217 AromaticContact CZ2-CD2 3.96Å; W159-Y217 HydrophobicContact CZ2-CD2 3.96Å; P213-Y217 VanDerWaalsContact O-CB 3.3Å; P213-Y217 WeakPolarHBondContact O-CB 3.17Å; P213-Y217 PolarHBondContact O-N 3.31Å; S214-Y217 PolarHBondContact O-N 2.92Å; Y217-N219 PolarHBondContact O-N 3.32Å; Y217-V221 HydrophobicContact CD2-CB 3.74Å; Y217-V221 HydrophobicContact CD2-CG1 4.05Å; Y217-V221 HydrophobicContact CD2-CG2 3.91Å; Y217-V221 HydrophobicContact CE2-CB 3.81Å; Y217-V221 HydrophobicContact CE2-CG1 3.58Å; Y217-V221 HydrophobicContact CE2-CG2 4.27Å; Y217-V221 HydrophobicContact CG-CB 4.28Å; Y217-V221 CarbonylContact O-C 3.55Å; Y217-V221 WeakPolarHBondContact O-CA 3.34Å; Y217-V221 WeakPolarHBondContact O-CB 3.45Å; Y217-V221 PolarHBondContact O-N 3.07Å; Y217-A222 HydrophobicContact CE1-CB 4.38Å; Y217-A222 PolarHBondContact O-N 3.39Å
218	W	94.6	Very high	88.8	Confident	1 Å²	1	34.7 Å²	34.7	0%	0.004	19%	0.188	C	C	.	.	I	π-helix	trans	-57.1	-51.3	175.9	175.9	-117.5	0	0	0	112.1	Y138 Y142 S214 E215 A222 L223 F392 I393 I471	Y138-W218 HydrophobicContact CD1-CH2 4.32Å; Y138-W218 AromaticContact CD2-CH2 3.61Å; Y138-W218 HydrophobicContact CD2-CH2 3.61Å; Y138-W218 HydrophobicContact CD2-CZ3 4.41Å; Y138-W218 AromaticContact CE2-CH2 3.9Å; Y138-W218 HydrophobicContact CE2-CH2 3.9Å; Y138-W218 AromaticContact CG-CH2 3.84Å; Y138-W218 HydrophobicContact CG-CH2 3.84Å; Y138-W218 HydrophobicContact CG-CZ3 4.2Å; Y142-W218 AromaticContact CE2-CE3 3.59Å; Y142-W218 HydrophobicContact CE2-CE3 3.59Å; Y142-W218 AromaticContact CE2-CZ3 3.67Å; Y142-W218 HydrophobicContact CE2-CZ3 3.67Å; Y142-W218 AromaticContact CZ-CE3 3.99Å; S214-W218 WeakPolarHBondContact O-CB 3.46Å; S214-W218 PolarHBondContact O-N 3.37Å; E215-W218 PolarHBondContact O-N 2.81Å; W218-A222 HydrophobicContact CE3-CB 3.89Å; W218-A222 HydrophobicContact CZ3-CB 4.4Å; W218-L223 HydrophobicContact CD2-CD1 3.92Å; W218-L223 HydrophobicContact CD2-CG 4.03Å; W218-L223 VanDerWaalsContact CE2-CD1 3.42Å; W218-L223 HydrophobicContact CE3-CD1 4.46Å; W218-L223 HydrophobicContact CE3-CG 4.1Å; W218-L223 HydrophobicContact CG-CD1 4.38Å; W218-L223 HydrophobicContact CH2-CD1 4.26Å; W218-L223 HydrophobicContact CH2-CD2 3.87Å; W218-L223 HydrophobicContact CH2-CG 4.17Å; W218-L223 HydrophobicContact CZ2-CD1 3.65Å; W218-L223 HydrophobicContact CZ2-CD2 4.08Å; W218-L223 HydrophobicContact CZ2-CG 4.06Å; W218-L223 HydrophobicContact CZ3-CD2 4.08Å; W218-L223 HydrophobicContact CZ3-CG 4.17Å; W218-L223 WeakPolarHBondContact O-CB 3.42Å; W218-L223 WeakPolarHBondContact O-CG 3.5Å; W218-L223 PolarHBondContact O-N 2.94Å; W218-F392 HydrophobicContact CD2-CB 3.94Å; W218-F392 HydrophobicContact CE3-CB 3.73Å; W218-F392 HydrophobicContact CE3-CG 4.35Å; W218-F392 HydrophobicContact CH2-CB 3.92Å; W218-F392 AromaticContact CH2-CD2 3.86Å; W218-F392 HydrophobicContact CH2-CD2 3.86Å; W218-F392 AromaticContact CH2-CG 3.83Å; W218-F392 HydrophobicContact CH2-CG 3.83Å; W218-F392 HydrophobicContact CZ2-CB 4.14Å; W218-F392 HydrophobicContact CZ2-CD2 4.25Å; W218-F392 HydrophobicContact CZ2-CG 4.38Å; W218-F392 HydrophobicContact CZ3-CB 3.73Å; W218-F392 HydrophobicContact CZ3-CD1 4.22Å; W218-F392 HydrophobicContact CZ3-CD2 4.33Å; W218-F392 AromaticContact CZ3-CG 3.83Å; W218-F392 HydrophobicContact CZ3-CG 3.83Å; W218-I393 HydrophobicContact CB-CD1 4.39Å; W218-I393 HydrophobicContact CB-CG1 3.88Å; W218-I393 HydrophobicContact CG-CD1 4.25Å; W218-I393 HydrophobicContact CG-CG1 3.93Å; W218-I471 HydrophobicContact CZ2-CD1 4.17Å
219	N	92.9	Very high	89.9	Confident	19 Å²	19	31.4 Å²	31.4	10%	0.102	17%	0.172	C	C	.	.	I	π-helix	trans	-73.9	-42.8	-174.4	-69.7	-41.8	0	0	0	113.1	E215 Q216 Y217 Q224 R225	E215-N219 PolarHBondContact O-N 3.18Å; E215-N219 PolarHBondContact O-ND2 3.41Å; Q216-N219 PolarHBondContact O-N 3.47Å; Y217-N219 PolarHBondContact O-N 3.32Å; N219-Q224 PolarHBondContact O-N 3.08Å; N219-R225 VanDerWaalsContact O-CB 3.3Å; N219-R225 WeakPolarHBondContact O-CB 3.17Å; N219-R225 PolarHBondContact O-N 3.38Å; N219-R225 PolarHBondContact OD1-NE 3.22Å; N219-R225 PolarHBondContact OD1-NH1 3.22Å
220	K	93.6	Very high	91	Very high	78 Å²	78	32 Å²	32	34%	0.339	17%	0.17	S	C	.	.	I	π-helix	trans	-95.2	-38.8	-171.1	-63.8	-174.8	164.2	-137.6	0	113.8	D161 Q216 Q224	D161-K220 IonicContact OD1-NZ 2.63Å; D161-K220 PolarHBondContact OD1-NZ 3.38Å; D161-K220 WeakPolarHBondContact OD2-CE 3.43Å; D161-K220 IonicContact OD2-NZ 2.68Å; D161-K220 PolarHBondContact OD2-NZ 3.1Å; Q216-K220 VanDerWaalsContact O-CB 3.24Å; Q216-K220 WeakPolarHBondContact O-CB 3.3Å; Q216-K220 PolarHBondContact O-N 2.91Å; K220-Q224 WeakPolarHBondContact O-CG 3.36Å
221	V	95.5	Very high	91.9	Very high	35 Å²	35	36.5 Å²	36.5	21%	0.212	19%	0.186	C	C	.	.	I	π-helix	trans	-96.6	-53.4	-173.4	-175.1	0	0	0	0	110.6	W159 Y217 Y238	W159-V221 HydrophobicContact CB-CG2 3.86Å; W159-V221 HydrophobicContact CD2-CG2 3.51Å; W159-V221 HydrophobicContact CE3-CG2 3.78Å; W159-V221 HydrophobicContact CG-CG2 3.53Å; Y217-V221 HydrophobicContact CD2-CB 3.74Å; Y217-V221 HydrophobicContact CD2-CG1 4.05Å; Y217-V221 HydrophobicContact CD2-CG2 3.91Å; Y217-V221 HydrophobicContact CE2-CB 3.81Å; Y217-V221 HydrophobicContact CE2-CG1 3.58Å; Y217-V221 HydrophobicContact CE2-CG2 4.27Å; Y217-V221 HydrophobicContact CG-CB 4.28Å; Y217-V221 CarbonylContact O-C 3.55Å; Y217-V221 WeakPolarHBondContact O-CA 3.34Å; Y217-V221 WeakPolarHBondContact O-CB 3.45Å; Y217-V221 PolarHBondContact O-N 3.07Å; V221-Y238 PolarHBondContact O-OH 3.45Å
222	A	96.1	Very high	92.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	19%	0.186	C	C	.	.	I	π-helix	trans	-74.3	-47.3	-174.3	0	0	0	0	0	112.6	Y141 Y142 Y217 W218 Y238 L239	Y141-A222 HydrophobicContact CD1-CB 4.15Å; Y141-A222 HydrophobicContact CE1-CB 3.51Å; Y142-A222 HydrophobicContact CE2-CB 4.39Å; Y217-A222 HydrophobicContact CE1-CB 4.38Å; Y217-A222 PolarHBondContact O-N 3.39Å; W218-A222 HydrophobicContact CE3-CB 3.89Å; W218-A222 HydrophobicContact CZ3-CB 4.4Å; A222-Y238 WeakPolarHBondContact O-CE2 3.47Å; A222-Y238 PolarHBondContact O-OH 3.07Å; A222-L239 VanDerWaalsContact O-CD1 3.3Å; A222-L239 WeakPolarHBondContact O-CD1 3.47Å
223	L	95.8	Very high	92.9	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	20%	0.203	C	C	.	.	S	Bend	trans	-94.5	-22.7	-178.4	-66	-178.7	0	0	0	113.9	Y138 W218 R225 V236 L239 I471	Y138-L223 HydrophobicContact CD1-CD2 4.48Å; Y138-L223 HydrophobicContact CE1-CD2 3.82Å; W218-L223 HydrophobicContact CD2-CD1 3.92Å; W218-L223 HydrophobicContact CD2-CG 4.03Å; W218-L223 VanDerWaalsContact CE2-CD1 3.42Å; W218-L223 HydrophobicContact CE3-CD1 4.46Å; W218-L223 HydrophobicContact CE3-CG 4.1Å; W218-L223 HydrophobicContact CG-CD1 4.38Å; W218-L223 HydrophobicContact CH2-CD1 4.26Å; W218-L223 HydrophobicContact CH2-CD2 3.87Å; W218-L223 HydrophobicContact CH2-CG 4.17Å; W218-L223 HydrophobicContact CZ2-CD1 3.65Å; W218-L223 HydrophobicContact CZ2-CD2 4.08Å; W218-L223 HydrophobicContact CZ2-CG 4.06Å; W218-L223 HydrophobicContact CZ3-CD2 4.08Å; W218-L223 HydrophobicContact CZ3-CG 4.17Å; W218-L223 WeakPolarHBondContact O-CB 3.42Å; W218-L223 WeakPolarHBondContact O-CG 3.5Å; W218-L223 PolarHBondContact O-N 2.94Å; L223-R225 HydrophobicContact CB-CB 4.07Å; L223-R225 PolarHBondContact O-N 2.99Å; L223-V236 WeakPolarHBondContact O-CG2 3.42Å; L223-L239 HydrophobicContact CD2-CD1 4.3Å; L223-I471 HydrophobicContact CD1-CB 3.89Å; L223-I471 HydrophobicContact CD1-CG1 4.14Å; L223-I471 HydrophobicContact CD1-CG2 4.04Å
224	Q	96	Very high	93.2	Very high	72 Å²	72	41.2 Å²	41.2	34%	0.336	23%	0.229	S	C	.	.			trans	45.7	45.7	-165.7	-63.9	177.4	9.4	0	0	111.5	N219 K220 S226 V236 Y238 Q468	N219-Q224 PolarHBondContact O-N 3.08Å; K220-Q224 WeakPolarHBondContact O-CG 3.36Å; Q224-S226 PolarHBondContact O-N 3.29Å; Q224-V236 HydrophobicContact CB-CG2 4.35Å; Q224-Y238 PolarHBondContact NE2-OH 3.03Å; Q224-Q468 HydrophobicContact CB-CG 4.16Å; Q224-Q468 WeakPolarHBondContact O-CB 3.31Å; Q224-Q468 WeakPolarHBondContact O-CG 3.45Å
225	R	94.6	Very high	93.5	Very high	78 Å²	78	45.1 Å²	45.1	29%	0.294	25%	0.249	S	C	.	.			trans	-60.3	130.8	-162.2	-166.5	-179.7	72.8	178.2	8.8	111.4	N219 L223 Q468 I471 Y472	N219-R225 VanDerWaalsContact O-CB 3.3Å; N219-R225 WeakPolarHBondContact O-CB 3.17Å; N219-R225 PolarHBondContact O-N 3.38Å; N219-R225 PolarHBondContact OD1-NE 3.22Å; N219-R225 PolarHBondContact OD1-NH1 3.22Å; L223-R225 HydrophobicContact CB-CB 4.07Å; L223-R225 PolarHBondContact O-N 2.99Å; R225-Q468 WeakPolarHBondContact CA-O 3.39Å; R225-I471 HydrophobicContact CG-CG2 3.95Å; R225-Y472 HydrophobicContact CG-CE2 4.19Å
226	S	94.4	Very high	93.9	Very high	14 Å²	14	43.2 Å²	43.2	10%	0.098	24%	0.24	C	C	.	.			trans	-71.9	165.5	172.9	66.8	0	0	0	0	112.3	Q224 G228 E231 Q468 A469 Y472	Q224-S226 PolarHBondContact O-N 3.29Å; S226-G228 PolarHBondContact O-N 2.96Å; S226-G228 PolarHBondContact OG-O 2.92Å; S226-E231 WeakPolarHBondContact CB-O 3.2Å; S226-E231 PolarHBondContact OG-O 3.47Å; S226-Q468 PolarHBondContact N-O 3.31Å; S226-A469 WeakPolarHBondContact OG-CA 3.36Å; S226-A469 WeakPolarHBondContact OG-CB 3.18Å; S226-Y472 PolarHBondContact O-OH 3.27Å
227	S	91.3	Very high	94.2	Very high	76 Å²	76	51.5 Å²	51.5	53%	0.531	27%	0.272	S	S	.	.	S	Bend	trans	-62.1	-24.9	179.1	68.3	0	0	0	0	113.1	E231	S227-E231 PolarHBondContact OG-OE2 3.37Å
228	G	90.8	Very high	94.4	Very high	9 Å²	9	52.5 Å²	52.5	9%	0.093	28%	0.276	C	S	.	.	S	Bend	trans	176.9	-178.7	179.9	0	0	0	0	0	112	S226 N230 E231	S226-G228 PolarHBondContact O-N 2.96Å; S226-G228 PolarHBondContact OG-O 2.92Å; G228-N230 VanDerWaalsContact C-N 3.25Å; G228-N230 PolarHBondContact O-N 2.89Å; G228-E231 PolarHBondContact O-N 3.34Å
229	M	91.6	Very high	94.5	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.025	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.7	-175.3	-164.6	-176	178.6	0	0	114.1	E231 W473 L476 Y558 P559 W561	M229-E231 PolarHBondContact O-N 3.41Å; M229-W473 HydrophobicContact CE-CD2 3.97Å; M229-W473 HydrophobicContact CE-CE3 3.79Å; M229-W473 HydrophobicContact CE-CH2 3.48Å; M229-W473 VanDerWaalsContact CE-CH2 3.48Å; M229-W473 HydrophobicContact CE-CZ2 3.66Å; M229-W473 HydrophobicContact CE-CZ3 3.54Å; M229-L476 HydrophobicContact CE-CD2 3.58Å; M229-L476 HydrophobicContact SD-CD2 4.25Å; M229-Y558 HydrophobicContact SD-CD1 3.78Å; M229-Y558 HydrophobicContact SD-CE1 3.99Å; M229-P559 HydrophobicContact CB-CG 4.11Å; M229-P559 HydrophobicContact SD-CG 4.34Å; M229-W561 HydrophobicContact CB-CZ2 4.39Å; M229-W561 HydrophobicContact CE-CE3 4.49Å; M229-W561 HydrophobicContact CE-CH2 3.43Å; M229-W561 VanDerWaalsContact CE-CH2 3.43Å; M229-W561 HydrophobicContact CE-CZ2 4.32Å; M229-W561 HydrophobicContact CE-CZ3 3.52Å; M229-W561 HydrophobicContact CG-CH2 3.73Å; M229-W561 HydrophobicContact CG-CZ2 3.85Å; M229-W561 HydrophobicContact SD-CH2 3.81Å; M229-W561 HydrophobicContact SD-CZ2 4.13Å; M229-W561 HydrophobicContact SD-CZ3 4.23Å
230	N	91.4	Very high	94.8	Very high	116 Å²	116	52.4 Å²	52.4	62%	0.62	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-23.7	176.9	-70.6	-21.6	0	0	0	112.7	G228 W561	G228-N230 VanDerWaalsContact C-N 3.25Å; G228-N230 PolarHBondContact O-N 2.89Å; N230-W561 PolarHBondContact OD1-NE1 3.13Å
231	E	91.6	Very high	95.1	Very high	113 Å²	113	53.3 Å²	53.3	53%	0.528	29%	0.285	S	S	.	.			trans	-111.7	82.5	-178.9	-67.6	173.2	-175.5	0	0	108.4	S226 S227 G228 M229 G233	S226-E231 WeakPolarHBondContact CB-O 3.2Å; S226-E231 PolarHBondContact OG-O 3.47Å; S227-E231 PolarHBondContact OG-OE2 3.37Å; G228-E231 PolarHBondContact O-N 3.34Å; M229-E231 PolarHBondContact O-N 3.41Å; E231-G233 PolarHBondContact O-N 3.02Å
232	T	89.7	Confident	95.2	Very high	53 Å²	53	52.1 Å²	52.1	33%	0.325	28%	0.278	S	S	.	.			trans	-57.1	-36.4	179.9	-57.2	0	0	0	0	112.1	T467 Q468 A469	T232-T467 HydrophobicContact CG2-CG2 3.94Å; T232-T467 WeakPolarHBondContact O-CB 3.2Å; T232-Q468 PolarHBondContact O-N 3.29Å; T232-A469 PolarHBondContact O-N 2.98Å
233	G	93.9	Very high	95.3	Very high	46 Å²	46	52 Å²	52	47%	0.474	28%	0.278	S	S	.	.			trans	69.3	-158.3	-178.2	0	0	0	0	0	112.6	E231 Q468	E231-G233 PolarHBondContact O-N 3.02Å; G233-Q468 VanDerWaalsContact CA-OE1 3.26Å
234	V	96.4	Very high	95.5	Very high	93 Å²	93	54.9 Å²	54.9	56%	0.564	29%	0.293	S	S	*	.			trans	-93.5	163.3	179.4	-62.3	0	0	0	0	112	V236 T467 Q468	V234-V236 PolarHBondContact O-N 3.29Å; V234-T467 CarbonylContact O-C 3.56Å; V234-T467 VanDerWaalsContact O-CA 3.3Å; V234-T467 WeakPolarHBondContact O-CA 3.43Å; V234-Q468 HydrophobicContact CG2-CG 4.38Å; V234-Q468 VanDerWaalsContact N-OE1 3.14Å; V234-Q468 PolarHBondContact O-N 3.02Å; V234-Q468 VanDerWaalsContact O-N 3.09Å
235	I	98	Very high	95.6	Very high	82 Å²	82	54.4 Å²	54.4	42%	0.421	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-68.2	128	169.7	-64.8	172.1	0	0	0	108.9	W237 A240 L463 V466 T467	I235-W237 PolarHBondContact O-N 3.36Å; I235-W237 VanDerWaalsContact O-N 3.09Å; I235-A240 HydrophobicContact CG2-CB 3.74Å; I235-L463 HydrophobicContact CD1-CB 4.35Å; I235-V466 HydrophobicContact CG2-CG2 4.34Å; I235-T467 HydrophobicContact CG1-CG2 4Å
236	V	98.3	Very high	95.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	28%	0.278	C	S	.	.			trans	-76.8	97.2	174.7	-177.6	0	0	0	0	108.4	L223 Q224 V234 Y238 L239 A240 V466 Q468	L223-V236 WeakPolarHBondContact O-CG2 3.42Å; Q224-V236 HydrophobicContact CB-CG2 4.35Å; V234-V236 PolarHBondContact O-N 3.29Å; V236-Y238 VanDerWaalsContact C-N 3.33Å; V236-Y238 HydrophobicContact CG1-CD1 4.11Å; V236-Y238 HydrophobicContact CG1-CD2 4.05Å; V236-Y238 HydrophobicContact CG1-CE1 3.48Å; V236-Y238 VanDerWaalsContact CG1-CE1 3.48Å; V236-Y238 HydrophobicContact CG1-CE2 3.42Å; V236-Y238 VanDerWaalsContact CG1-CE2 3.42Å; V236-Y238 HydrophobicContact CG1-CG 4.35Å; V236-Y238 WeakPolarHBondContact CG1-OH 3.4Å; V236-Y238 PolarHBondContact O-N 3.42Å; V236-L239 HydrophobicContact CB-CB 4.22Å; V236-L239 HydrophobicContact CB-CD1 4.01Å; V236-L239 HydrophobicContact CB-CG 4.26Å; V236-L239 HydrophobicContact CG1-CB 4.15Å; V236-L239 HydrophobicContact CG1-CD1 3.84Å; V236-L239 HydrophobicContact CG1-CG 3.8Å; V236-L239 WeakPolarHBondContact O-CB 3.39Å; V236-L239 PolarHBondContact O-N 2.97Å; V236-A240 PolarHBondContact O-N 3.41Å; V236-V466 WeakPolarHBondContact CB-O 3.14Å; V236-V466 PolarHBondContact N-O 3.09Å; V236-Q468 HydrophobicContact CG2-CG 4.14Å
237	W	97.7	Very high	95.9	Very high	175 Å²	175	50.3 Å²	50.3	66%	0.663	28%	0.275	S	S	*	.	H	α-helix	trans	-56.9	-38.9	-164.2	68.4	-93.7	0	0	0	114.5	I235 A240 L241	I235-W237 PolarHBondContact O-N 3.36Å; I235-W237 VanDerWaalsContact O-N 3.09Å; W237-A240 WeakPolarHBondContact O-CB 3.47Å; W237-A240 PolarHBondContact O-N 2.92Å; W237-L241 HydrophobicContact CE3-CD1 3.7Å; W237-L241 HydrophobicContact CE3-CG 4.46Å; W237-L241 HydrophobicContact CZ3-CD1 3.69Å; W237-L241 WeakPolarHBondContact O-CG 3.37Å; W237-L241 PolarHBondContact O-N 3.12Å
238	Y	97.8	Very high	96.3	Very high	31 Å²	31	51.8 Å²	51.8	12%	0.122	28%	0.276	C	S	.	.	H	α-helix	trans	-72.3	-31.2	179.9	51.6	-95.8	0	0	0	112	Y141 V221 A222 Q224 V236 L241 C242	Y141-Y238 AromaticContact CD2-CD2 3.56Å; Y141-Y238 HydrophobicContact CD2-CD2 3.56Å; Y141-Y238 HydrophobicContact CD2-CE2 4.01Å; Y141-Y238 AromaticContact CE2-CD2 3.42Å; Y141-Y238 HydrophobicContact CE2-CD2 3.42Å; Y141-Y238 VanDerWaalsContact CE2-CD2 3.42Å; Y141-Y238 AromaticContact CE2-CE2 3.57Å; Y141-Y238 HydrophobicContact CE2-CE2 3.57Å; Y141-Y238 HydrophobicContact CE2-CG 4.32Å; V221-Y238 PolarHBondContact O-OH 3.45Å; A222-Y238 WeakPolarHBondContact O-CE2 3.47Å; A222-Y238 PolarHBondContact O-OH 3.07Å; Q224-Y238 PolarHBondContact NE2-OH 3.03Å; V236-Y238 VanDerWaalsContact C-N 3.33Å; V236-Y238 HydrophobicContact CG1-CD1 4.11Å; V236-Y238 HydrophobicContact CG1-CD2 4.05Å; V236-Y238 HydrophobicContact CG1-CE1 3.48Å; V236-Y238 VanDerWaalsContact CG1-CE1 3.48Å; V236-Y238 HydrophobicContact CG1-CE2 3.42Å; V236-Y238 VanDerWaalsContact CG1-CE2 3.42Å; V236-Y238 HydrophobicContact CG1-CG 4.35Å; V236-Y238 WeakPolarHBondContact CG1-OH 3.4Å; V236-Y238 PolarHBondContact O-N 3.42Å; Y238-L241 PolarHBondContact O-N 3.23Å; Y238-C242 PolarHBondContact O-N 2.98Å; Y238-C242 PolarHBondContact O-SG 3.49Å
239	L	98.4	Very high	96.6	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-69.5	-37.7	170.3	-68.8	-177.9	0	0	0	111.2	Y138 Y141 A222 L223 V236 L241 C242 L243 V466	Y138-L239 HydrophobicContact CD1-CD1 4.31Å; Y138-L239 HydrophobicContact CD1-CD2 3.9Å; Y138-L239 HydrophobicContact CE1-CD1 3.9Å; Y138-L239 HydrophobicContact CE1-CD2 4.31Å; Y141-L239 HydrophobicContact CD2-CD2 4.41Å; Y141-L239 HydrophobicContact CG-CD2 4.08Å; A222-L239 VanDerWaalsContact O-CD1 3.3Å; A222-L239 WeakPolarHBondContact O-CD1 3.47Å; L223-L239 HydrophobicContact CD2-CD1 4.3Å; V236-L239 HydrophobicContact CB-CB 4.22Å; V236-L239 HydrophobicContact CB-CD1 4.01Å; V236-L239 HydrophobicContact CB-CG 4.26Å; V236-L239 HydrophobicContact CG1-CB 4.15Å; V236-L239 HydrophobicContact CG1-CD1 3.84Å; V236-L239 HydrophobicContact CG1-CG 3.8Å; V236-L239 WeakPolarHBondContact O-CB 3.39Å; V236-L239 PolarHBondContact O-N 2.97Å; L239-L241 VanDerWaalsContact C-N 3.32Å; L239-L241 PolarHBondContact O-N 2.83Å; L239-C242 PolarHBondContact O-N 3.22Å; L239-L243 WeakPolarHBondContact O-CB 3.38Å; L239-L243 PolarHBondContact O-N 3.43Å; L239-V466 HydrophobicContact CB-CB 3.97Å; L239-V466 HydrophobicContact CB-CG1 4.05Å
240	A	98.5	Very high	96.9	Very high	15 Å²	15	53.7 Å²	53.7	12%	0.124	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-38.2	173.6	0	0	0	0	0	112.1	I235 V236 W237 L243 L244 L463 V466	I235-A240 HydrophobicContact CG2-CB 3.74Å; V236-A240 PolarHBondContact O-N 3.41Å; W237-A240 WeakPolarHBondContact O-CB 3.47Å; W237-A240 PolarHBondContact O-N 2.92Å; A240-L243 PolarHBondContact O-N 3.18Å; A240-L244 WeakPolarHBondContact O-CB 3.41Å; A240-L244 PolarHBondContact O-N 3.06Å; A240-L463 HydrophobicContact CB-CD2 4.08Å; A240-V466 HydrophobicContact CB-CG2 4.21Å
241	L	98.5	Very high	97.1	Very high	98 Å²	98	48.2 Å²	48.2	51%	0.513	26%	0.255	S	S	.	.	H	α-helix	trans	-66.6	-41.5	172.2	-70.5	179.1	0	0	0	112.5	W237 Y238 L239 L243 L244 L245	W237-L241 HydrophobicContact CE3-CD1 3.7Å; W237-L241 HydrophobicContact CE3-CG 4.46Å; W237-L241 HydrophobicContact CZ3-CD1 3.69Å; W237-L241 WeakPolarHBondContact O-CG 3.37Å; W237-L241 PolarHBondContact O-N 3.12Å; Y238-L241 PolarHBondContact O-N 3.23Å; L239-L241 VanDerWaalsContact C-N 3.32Å; L239-L241 PolarHBondContact O-N 2.83Å; L241-L243 VanDerWaalsContact C-N 3.31Å; L241-L243 PolarHBondContact O-N 2.88Å; L241-L244 PolarHBondContact O-N 3.17Å; L241-L245 WeakPolarHBondContact O-CB 3.32Å; L241-L245 PolarHBondContact O-N 3.43Å
242	C	98.7	Very high	97.3	Very high	9 Å²	9	45.8 Å²	45.8	6%	0.061	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-38.4	174.6	-67.1	0	0	0	0	111.5	A137 L140 Y238 L239 L245 A246	A137-C242 HydrophobicContact CB-CB 3.94Å; A137-C242 WeakPolarHBondContact O-CB 3.37Å; L140-C242 HydrophobicContact CB-CB 4.15Å; L140-C242 WeakPolarHBondContact CD1-O 3.47Å; Y238-C242 PolarHBondContact O-N 2.98Å; Y238-C242 PolarHBondContact O-SG 3.49Å; L239-C242 PolarHBondContact O-N 3.22Å; C242-L245 PolarHBondContact O-N 2.76Å; C242-A246 WeakPolarHBondContact O-CB 3.25Å; C242-A246 PolarHBondContact O-N 2.81Å
243	L	98.6	Very high	97.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-42.7	175.3	-178.3	62.8	0	0	0	111.2	N133 V134 A137 L239 A240 L241 L245 A246 W247 F459 V466	N133-L243 HydrophobicContact CB-CD1 4.28Å; V134-L243 HydrophobicContact CG2-CD1 3.83Å; V134-L243 HydrophobicContact CG2-CD2 4.16Å; A137-L243 HydrophobicContact CB-CB 3.91Å; A137-L243 HydrophobicContact CB-CD1 4.32Å; L239-L243 WeakPolarHBondContact O-CB 3.38Å; L239-L243 PolarHBondContact O-N 3.43Å; A240-L243 PolarHBondContact O-N 3.18Å; L241-L243 VanDerWaalsContact C-N 3.31Å; L241-L243 PolarHBondContact O-N 2.88Å; L243-L245 VanDerWaalsContact C-N 3.34Å; L243-A246 PolarHBondContact O-N 3.1Å; L243-W247 PolarHBondContact O-N 3.3Å; L243-F459 HydrophobicContact CB-CE2 4.43Å; L243-F459 HydrophobicContact CD2-CD2 4.18Å; L243-F459 HydrophobicContact CD2-CE2 4.35Å; L243-F459 HydrophobicContact CG-CD2 3.96Å; L243-F459 HydrophobicContact CG-CE2 4.24Å; L243-V466 HydrophobicContact CB-CG1 4.48Å; L243-V466 HydrophobicContact CD2-CG1 4.09Å; L243-V466 HydrophobicContact CD2-CG2 4.16Å
244	L	98.6	Very high	97.6	Very high	65 Å²	65	41.5 Å²	41.5	34%	0.34	22%	0.219	S	C	.	.	H	α-helix	trans	-59.3	-47.1	173.6	-179.8	62.3	0	0	0	110.7	A240 L241 A246 W247 L248 F459	A240-L244 WeakPolarHBondContact O-CB 3.41Å; A240-L244 PolarHBondContact O-N 3.06Å; L241-L244 PolarHBondContact O-N 3.17Å; L244-A246 VanDerWaalsContact C-N 3.35Å; L244-A246 PolarHBondContact O-N 3.48Å; L244-W247 PolarHBondContact O-N 3.07Å; L244-L248 HydrophobicContact CD1-CG 4.48Å; L244-L248 HydrophobicContact CG-CD1 4.21Å; L244-L248 HydrophobicContact CG-CG 4.5Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.44Å; L244-L248 PolarHBondContact O-N 2.98Å; L244-F459 HydrophobicContact CB-CD2 4.3Å; L244-F459 HydrophobicContact CB-CE2 3.63Å; L244-F459 HydrophobicContact CB-CZ 4.01Å; L244-F459 HydrophobicContact CD1-CD1 4.43Å; L244-F459 HydrophobicContact CD1-CD2 4.32Å; L244-F459 HydrophobicContact CD1-CE1 4.2Å; L244-F459 HydrophobicContact CD1-CE2 4.11Å; L244-F459 HydrophobicContact CD1-CG 4.48Å; L244-F459 HydrophobicContact CD1-CZ 4.03Å; L244-F459 HydrophobicContact CG-CE2 4.46Å
245	L	98.6	Very high	97.3	Very high	61 Å²	61	41.1 Å²	41.1	32%	0.319	21%	0.21	S	C	.	.	H	α-helix	trans	-60.4	-43.2	177.1	179.8	60.6	0	0	0	111.9	L140 F144 L241 C242 L243 W247 L248 I249	L140-L245 HydrophobicContact CD1-CB 4.32Å; L140-L245 HydrophobicContact CD1-CD2 4.24Å; L140-L245 HydrophobicContact CD1-CG 4.2Å; L140-L245 HydrophobicContact CD2-CD2 4.25Å; F144-L245 HydrophobicContact CE2-CD2 3.79Å; F144-L245 HydrophobicContact CZ-CD2 3.74Å; L241-L245 WeakPolarHBondContact O-CB 3.32Å; L241-L245 PolarHBondContact O-N 3.43Å; C242-L245 PolarHBondContact O-N 2.76Å; L243-L245 VanDerWaalsContact C-N 3.34Å; L245-W247 VanDerWaalsContact C-N 3.34Å; L245-W247 PolarHBondContact O-N 3.24Å; L245-L248 PolarHBondContact O-N 2.99Å; L245-I249 HydrophobicContact CD1-CD1 4.31Å; L245-I249 HydrophobicContact CD1-CG1 4.38Å; L245-I249 HydrophobicContact CG-CD1 4.08Å; L245-I249 VanDerWaalsContact O-CG1 3.31Å; L245-I249 WeakPolarHBondContact O-CG1 3.28Å; L245-I249 PolarHBondContact O-N 3.4Å
246	A	98.3	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.1	-46.6	175.8	0	0	0	0	0	111.4	I136 L140 C242 L243 L244 L248 I249 V250	I136-A246 HydrophobicContact CB-CB 4.38Å; I136-A246 HydrophobicContact CG2-CB 3.87Å; L140-A246 HydrophobicContact CD1-CB 3.9Å; C242-A246 WeakPolarHBondContact O-CB 3.25Å; C242-A246 PolarHBondContact O-N 2.81Å; L243-A246 PolarHBondContact O-N 3.1Å; L244-A246 VanDerWaalsContact C-N 3.35Å; L244-A246 PolarHBondContact O-N 3.48Å; A246-L248 PolarHBondContact O-N 3.47Å; A246-I249 PolarHBondContact O-N 3.41Å; A246-V250 WeakPolarHBondContact O-CG2 3.31Å; A246-V250 PolarHBondContact O-N 3.31Å
247	W	98.3	Very high	96.5	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.027	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-35.8	176.1	-81.7	111	0	0	0	113.8	T129 N133 L243 L244 L245 V250 G251 I428 C455 L458 F459	T129-W247 HydrophobicContact CG2-CH2 3.59Å; T129-W247 HydrophobicContact CG2-CZ2 4.28Å; N133-W247 HydrophobicContact CB-CZ2 4Å; N133-W247 PolarHBondContact ND2-N 3.18Å; N133-W247 PolarHBondContact ND2-NE1 3Å; L243-W247 PolarHBondContact O-N 3.3Å; L244-W247 PolarHBondContact O-N 3.07Å; L245-W247 VanDerWaalsContact C-N 3.34Å; L245-W247 PolarHBondContact O-N 3.24Å; W247-V250 HydrophobicContact CE3-CB 4.42Å; W247-V250 HydrophobicContact CE3-CG1 4.38Å; W247-V250 HydrophobicContact CZ3-CG1 4.3Å; W247-V250 PolarHBondContact O-N 3.29Å; W247-G251 PolarHBondContact O-N 2.97Å; W247-I428 HydrophobicContact CH2-CD1 3.9Å; W247-I428 HydrophobicContact CZ3-CD1 3.67Å; W247-I428 HydrophobicContact CZ3-CG1 4.14Å; W247-C455 HydrophobicContact CD2-CB 4.4Å; W247-C455 HydrophobicContact CE3-CB 3.56Å; W247-C455 HydrophobicContact CZ3-CB 4.06Å; W247-L458 HydrophobicContact CH2-CB 3.33Å; W247-L458 HydrophobicContact CH2-CD1 3.53Å; W247-L458 HydrophobicContact CH2-CG 4.06Å; W247-L458 HydrophobicContact CZ2-CB 3.29Å; W247-L458 HydrophobicContact CZ2-CD1 4.33Å; W247-L458 HydrophobicContact CZ2-CG 4.42Å; W247-L458 HydrophobicContact CZ3-CB 4.13Å; W247-L458 HydrophobicContact CZ3-CD1 4.13Å; W247-F459 HydrophobicContact CB-CB 4.4Å; W247-F459 VanDerWaalsContact CD1-CB 3.5Å; W247-F459 AromaticContact CD1-CD2 3.77Å; W247-F459 HydrophobicContact CD2-CB 4.45Å; W247-F459 HydrophobicContact CG-CB 3.86Å
248	L	97.9	Very high	96.3	Very high	107 Å²	107	32.4 Å²	32.4	56%	0.56	17%	0.174	S	C	*	.	H	α-helix	trans	-65.1	-41	173.8	-70.6	173.8	0	0	0	111.5	L244 L245 A246 A252	L244-L248 HydrophobicContact CD1-CG 4.48Å; L244-L248 HydrophobicContact CG-CD1 4.21Å; L244-L248 HydrophobicContact CG-CG 4.5Å; L244-L248 VanDerWaalsContact O-CG 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.44Å; L244-L248 PolarHBondContact O-N 2.98Å; L245-L248 PolarHBondContact O-N 2.99Å; A246-L248 PolarHBondContact O-N 3.47Å; L248-A252 WeakPolarHBondContact O-CB 3.5Å; L248-A252 PolarHBondContact O-N 3.4Å
249	I	97.8	Very high	96	Very high	53 Å²	53	32.3 Å²	32.3	27%	0.272	17%	0.174	S	C	.	.	H	α-helix	trans	-63.3	-45.9	175.2	-65.3	164.4	0	0	0	110.3	L245 A246 A252 A253 L421	L245-I249 HydrophobicContact CD1-CD1 4.31Å; L245-I249 HydrophobicContact CD1-CG1 4.38Å; L245-I249 HydrophobicContact CG-CD1 4.08Å; L245-I249 VanDerWaalsContact O-CG1 3.31Å; L245-I249 WeakPolarHBondContact O-CG1 3.28Å; L245-I249 PolarHBondContact O-N 3.4Å; A246-I249 PolarHBondContact O-N 3.41Å; I249-A252 PolarHBondContact O-N 2.82Å; I249-A253 WeakPolarHBondContact O-CB 3.4Å; I249-A253 PolarHBondContact O-N 3.5Å; I249-L421 HydrophobicContact CB-CD2 4.33Å; I249-L421 HydrophobicContact CG2-CD1 3.77Å; I249-L421 HydrophobicContact CG2-CD2 3.7Å; I249-L421 HydrophobicContact CG2-CG 4.42Å
250	V	97.6	Very high	95.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-49.3	177.1	172.1	0	0	0	0	111.5	A246 W247 A252 A253 L254 L421 Q424 F425 I428	A246-V250 WeakPolarHBondContact O-CG2 3.31Å; A246-V250 PolarHBondContact O-N 3.31Å; W247-V250 HydrophobicContact CE3-CB 4.42Å; W247-V250 HydrophobicContact CE3-CG1 4.38Å; W247-V250 HydrophobicContact CZ3-CG1 4.3Å; W247-V250 PolarHBondContact O-N 3.29Å; V250-A252 VanDerWaalsContact C-N 3.34Å; V250-A252 PolarHBondContact O-N 3.03Å; V250-A253 PolarHBondContact O-N 2.92Å; V250-L254 HydrophobicContact CG1-CD1 3.89Å; V250-L254 WeakPolarHBondContact O-CB 3.48Å; V250-L254 PolarHBondContact O-N 3.27Å; V250-L421 HydrophobicContact CG2-CD2 3.75Å; V250-Q424 HydrophobicContact CG2-CB 3.94Å; V250-F425 HydrophobicContact CG1-CD1 4.46Å; V250-F425 HydrophobicContact CG2-CE1 4.3Å; V250-I428 HydrophobicContact CG1-CG1 3.97Å
251	G	96.3	Very high	95.6	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-40.1	177.7	0	0	0	0	0	112.8	W247 L254 F255	W247-G251 PolarHBondContact O-N 2.97Å; G251-L254 PolarHBondContact O-N 3.02Å; G251-F255 PolarHBondContact O-N 3.34Å; G251-F255 VanDerWaalsContact O-N 3.12Å
252	A	95.6	Very high	95.4	Very high	62 Å²	62	27.8 Å²	27.8	51%	0.512	15%	0.15	S	C	.	.	H	α-helix	trans	-66.9	-41.2	176.1	0	0	0	0	0	112.1	L248 I249 V250 L254 F255	L248-A252 WeakPolarHBondContact O-CB 3.5Å; L248-A252 PolarHBondContact O-N 3.4Å; I249-A252 PolarHBondContact O-N 2.82Å; V250-A252 VanDerWaalsContact C-N 3.34Å; V250-A252 PolarHBondContact O-N 3.03Å; A252-L254 VanDerWaalsContact C-N 3.32Å; A252-L254 PolarHBondContact O-N 2.93Å; A252-F255 WeakPolarHBondContact O-CD1 3.46Å; A252-F255 PolarHBondContact O-N 3.42Å
253	A	96.1	Very high	95.2	Very high	8 Å²	8	31.7 Å²	31.7	7%	0.066	17%	0.166	C	C	.	.	H	α-helix	trans	-67.1	-33.5	178.3	0	0	0	0	0	112.6	I249 V250 S260 S261 V264 F425	I249-A253 WeakPolarHBondContact O-CB 3.4Å; I249-A253 PolarHBondContact O-N 3.5Å; V250-A253 PolarHBondContact O-N 2.92Å; A253-S260 CarbonylContact O-C 3.41Å; A253-S260 WeakPolarHBondContact O-CB 3.34Å; A253-S260 PolarHBondContact O-OG 2.86Å; A253-S261 PolarHBondContact O-N 2.95Å; A253-V264 HydrophobicContact CB-CB 4.5Å; A253-V264 HydrophobicContact CB-CG1 4.27Å; A253-V264 HydrophobicContact CB-CG2 4.13Å; A253-F425 HydrophobicContact CB-CD1 4.07Å; A253-F425 HydrophobicContact CB-CE1 3.35Å; A253-F425 HydrophobicContact CB-CE2 4.08Å; A253-F425 HydrophobicContact CB-CZ 3.33Å
254	L	94.6	Very high	95.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	9.4	-178.4	-69.2	168.4	0	0	0	114.3	V250 G251 A252 K256 G257 F425 I428 T451	V250-L254 HydrophobicContact CG1-CD1 3.89Å; V250-L254 WeakPolarHBondContact O-CB 3.48Å; V250-L254 PolarHBondContact O-N 3.27Å; G251-L254 PolarHBondContact O-N 3.02Å; A252-L254 VanDerWaalsContact C-N 3.32Å; A252-L254 PolarHBondContact O-N 2.93Å; L254-K256 PolarHBondContact O-N 3.24Å; L254-K256 VanDerWaalsContact O-N 3.12Å; L254-G257 WeakPolarHBondContact O-CA 3.25Å; L254-G257 PolarHBondContact O-N 3.01Å; L254-F425 HydrophobicContact CD1-CD1 4.46Å; L254-F425 HydrophobicContact CD2-CB 4.21Å; L254-F425 HydrophobicContact CG-CD1 4.3Å; L254-I428 HydrophobicContact CD1-CB 3.51Å; L254-I428 HydrophobicContact CD1-CG1 4.22Å; L254-I428 HydrophobicContact CD1-CG2 3.48Å; L254-I428 VanDerWaalsContact CD1-CG2 3.48Å; L254-T451 HydrophobicContact CB-CG2 4.01Å
255	F	89.5	Confident	95	Very high	85 Å²	85	31.1 Å²	31.1	37%	0.373	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.1	-174.8	86.9	-72.8	0	0	0	112.9	H26 G251 A252 S260 V448	H26-F255 PolarHBondContact CE1-O 3.38Å; G251-F255 PolarHBondContact O-N 3.34Å; G251-F255 VanDerWaalsContact O-N 3.12Å; A252-F255 WeakPolarHBondContact O-CD1 3.46Å; A252-F255 PolarHBondContact O-N 3.42Å; F255-S260 VanDerWaalsContact CD1-OG 3.32Å; F255-S260 WeakPolarHBondContact CD1-OG 3.4Å; F255-S260 VanDerWaalsContact CE1-OG 3.25Å; F255-S260 WeakPolarHBondContact CE1-OG 3.03Å; F255-V448 VanDerWaalsContact O-CG2 3.31Å; F255-V448 WeakPolarHBondContact O-CG2 3.41Å
256	K	88.6	Confident	94.9	Very high	72 Å²	72	32.2 Å²	32.2	31%	0.313	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	17.4	170.2	-65.1	177.1	177.8	-176.2	0	114.2	F25 H26 L254 K259	F25-K256 HydrophobicContact CB-CD 4.47Å; F25-K256 HydrophobicContact CB-CG 4.43Å; H26-K256 WeakPolarHBondContact CE1-CA 3.41Å; H26-K256 WeakPolarHBondContact ND1-CA 3.45Å; H26-K256 PolarHBondContact ND1-O 3.46Å; L254-K256 PolarHBondContact O-N 3.24Å; L254-K256 VanDerWaalsContact O-N 3.12Å; K256-K259 HydrophobicContact CB-CB 4.27Å; K256-K259 PolarHBondContact O-N 3.27Å
257	G	91.4	Very high	94.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	-142.7	-172.2	0	0	0	0	0	111.8	L254 K259 S260 S261	L254-G257 WeakPolarHBondContact O-CA 3.25Å; L254-G257 PolarHBondContact O-N 3.01Å; G257-K259 PolarHBondContact O-N 3.15Å; G257-S260 PolarHBondContact O-N 3.41Å; G257-S261 PolarHBondContact O-N 3.44Å; G257-S261 PolarHBondContact O-OG 3.47Å
258	I	92.4	Very high	94.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-51.4	-26.7	179	63	159.5	0	0	0	115.3	W39 S260 S261 G262 Y336 E429	W39-I258 HydrophobicContact CD2-CB 4.38Å; W39-I258 HydrophobicContact CD2-CD1 4.21Å; W39-I258 HydrophobicContact CE3-CB 3.95Å; W39-I258 HydrophobicContact CE3-CD1 4.41Å; W39-I258 HydrophobicContact CG-CD1 4.49Å; W39-I258 HydrophobicContact CH2-CB 3.72Å; W39-I258 HydrophobicContact CH2-CG2 3.6Å; W39-I258 HydrophobicContact CZ2-CB 4.16Å; W39-I258 HydrophobicContact CZ2-CG2 3.77Å; W39-I258 HydrophobicContact CZ3-CB 3.6Å; W39-I258 HydrophobicContact CZ3-CG2 4.05Å; W39-I258 WeakPolarHBondContact CZ3-O 3.46Å; I258-S260 VanDerWaalsContact C-N 3.34Å; I258-S261 WeakPolarHBondContact CA-OG 3.26Å; I258-G262 WeakPolarHBondContact O-CA 3.28Å; I258-G262 PolarHBondContact O-N 3.31Å; I258-Y336 HydrophobicContact CD1-CD1 3.41Å; I258-Y336 VanDerWaalsContact CD1-CD1 3.41Å; I258-Y336 HydrophobicContact CD1-CD2 4.2Å; I258-Y336 HydrophobicContact CD1-CE1 4.11Å; I258-Y336 HydrophobicContact CD1-CG 3.47Å; I258-Y336 VanDerWaalsContact CD1-CG 3.47Å; I258-Y336 HydrophobicContact CG1-CD1 4.26Å; I258-Y336 HydrophobicContact CG1-CG 4.44Å; I258-Y336 HydrophobicContact CG2-CD2 3.85Å; I258-Y336 HydrophobicContact CG2-CE2 3.95Å; I258-Y336 HydrophobicContact CG2-CG 4.25Å; I258-E429 HydrophobicContact CG2-CG 3.96Å
259	K	91.5	Very high	94.6	Very high	28 Å²	28	32.4 Å²	32.4	12%	0.122	16%	0.164	C	C	.	.	H	α-helix	trans	-71.8	-29.4	179.3	-63.6	-65.1	-167.8	-178.4	0	112.4	H26 D31 N38 S40 K256 G257	H26-K259 WeakPolarHBondContact O-CE 3.49Å; H26-K259 WeakPolarHBondContact O-CG 3.27Å; D31-K259 VanDerWaalsContact CG-NZ 3.26Å; D31-K259 IonicContact OD1-NZ 2.72Å; D31-K259 PolarHBondContact OD1-NZ 2.99Å; D31-K259 WeakPolarHBondContact OD2-CE 3.25Å; D31-K259 IonicContact OD2-NZ 3.67Å; D31-K259 PolarHBondContact OD2-NZ 3.21Å; N38-K259 WeakPolarHBondContact O-CE 3.45Å; N38-K259 PolarHBondContact O-NZ 3.48Å; S40-K259 WeakPolarHBondContact OG-CD 3.32Å; S40-K259 PolarHBondContact OG-NZ 2.77Å; K256-K259 HydrophobicContact CB-CB 4.27Å; K256-K259 PolarHBondContact O-N 3.27Å; G257-K259 PolarHBondContact O-N 3.15Å
260	S	94.1	Very high	94.5	Very high	15 Å²	15	33.8 Å²	33.8	11%	0.105	17%	0.172	C	C	.	.	H	α-helix	trans	-92.9	-50.9	175.4	173.6	0	0	0	0	111	A253 F255 G257 I258 G262 K263 V264	A253-S260 CarbonylContact O-C 3.41Å; A253-S260 WeakPolarHBondContact O-CB 3.34Å; A253-S260 PolarHBondContact O-OG 2.86Å; F255-S260 VanDerWaalsContact CD1-OG 3.32Å; F255-S260 WeakPolarHBondContact CD1-OG 3.4Å; F255-S260 VanDerWaalsContact CE1-OG 3.25Å; F255-S260 WeakPolarHBondContact CE1-OG 3.03Å; G257-S260 PolarHBondContact O-N 3.41Å; I258-S260 VanDerWaalsContact C-N 3.34Å; S260-G262 VanDerWaalsContact C-N 3.26Å; S260-G262 PolarHBondContact O-N 2.89Å; S260-K263 WeakPolarHBondContact O-CA 3.17Å; S260-K263 WeakPolarHBondContact O-CB 3.15Å; S260-K263 PolarHBondContact O-N 3.02Å; S260-V264 PolarHBondContact O-N 2.94Å; S260-V264 VanDerWaalsContact O-N 3.11Å
261	S	95	Very high	94.4	Very high	5 Å²	5	35.6 Å²	35.6	4%	0.035	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-39.4	-179.2	56.3	0	0	0	0	111.4	A253 G257 I258 K263 V264 V265	A253-S261 PolarHBondContact O-N 2.95Å; G257-S261 PolarHBondContact O-N 3.44Å; G257-S261 PolarHBondContact O-OG 3.47Å; I258-S261 WeakPolarHBondContact CA-OG 3.26Å; S261-K263 PolarHBondContact O-N 3.25Å; S261-V264 PolarHBondContact O-N 3.34Å; S261-V265 WeakPolarHBondContact O-CG1 3.44Å; S261-V265 WeakPolarHBondContact O-CG2 3.22Å; S261-V265 PolarHBondContact O-N 3.04Å
262	G	93	Very high	94.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-14.6	173.5	0	0	0	0	0	115.3	I258 S260 V265 Y266	I258-G262 WeakPolarHBondContact O-CA 3.28Å; I258-G262 PolarHBondContact O-N 3.31Å; S260-G262 VanDerWaalsContact C-N 3.26Å; S260-G262 PolarHBondContact O-N 2.89Å; G262-V265 WeakPolarHBondContact O-CG2 3.33Å; G262-Y266 WeakPolarHBondContact O-CD2 3.38Å; G262-Y266 WeakPolarHBondContact O-CE2 3.39Å
263	K	95.5	Very high	94.4	Very high	92 Å²	92	35.4 Å²	35.4	40%	0.4	17%	0.166	S	C	.	.	H	α-helix	trans	-96.7	-39.4	170.8	-58.2	-50.4	-179.3	-158.2	0	112.5	D44 S260 S261 V265 Y266	D44-K263 IonicContact OD1-NZ 3.65Å; D44-K263 PolarHBondContact OD1-NZ 3.19Å; D44-K263 IonicContact OD2-NZ 2.71Å; D44-K263 PolarHBondContact OD2-NZ 3.2Å; S260-K263 WeakPolarHBondContact O-CA 3.17Å; S260-K263 WeakPolarHBondContact O-CB 3.15Å; S260-K263 PolarHBondContact O-N 3.02Å; S261-K263 PolarHBondContact O-N 3.25Å; K263-V265 VanDerWaalsContact C-N 3.27Å; K263-V265 PolarHBondContact O-N 3.38Å; K263-Y266 PolarHBondContact O-N 3.19Å
264	V	96.4	Very high	94.4	Very high	48 Å²	48	38.7 Å²	38.7	29%	0.291	19%	0.185	S	C	.	.	H	α-helix	trans	-60.5	-39	176.4	179.7	0	0	0	0	111.2	A253 S260 S261 Y266 F267 T268 F425	A253-V264 HydrophobicContact CB-CB 4.5Å; A253-V264 HydrophobicContact CB-CG1 4.27Å; A253-V264 HydrophobicContact CB-CG2 4.13Å; S260-V264 PolarHBondContact O-N 2.94Å; S260-V264 VanDerWaalsContact O-N 3.11Å; S261-V264 PolarHBondContact O-N 3.34Å; V264-Y266 PolarHBondContact O-N 3.38Å; V264-F267 PolarHBondContact O-N 2.8Å; V264-T268 HydrophobicContact CG1-CG2 3.92Å; V264-T268 PolarHBondContact O-N 3.35Å; V264-T268 VanDerWaalsContact O-N 3.13Å; V264-T268 PolarHBondContact O-OG1 3.19Å; V264-F425 HydrophobicContact CB-CE2 4.32Å; V264-F425 HydrophobicContact CG1-CE2 3.75Å; V264-F425 HydrophobicContact CG1-CZ 3.97Å
265	V	96.1	Very high	94.5	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-58.4	-21.7	179.8	-65.1	0	0	0	0	114.6	L47 S261 G262 K263 F267 T268 A269 F425	L47-V265 HydrophobicContact CB-CB 4.41Å; L47-V265 HydrophobicContact CB-CG2 3.98Å; S261-V265 WeakPolarHBondContact O-CG1 3.44Å; S261-V265 WeakPolarHBondContact O-CG2 3.22Å; S261-V265 PolarHBondContact O-N 3.04Å; G262-V265 WeakPolarHBondContact O-CG2 3.33Å; K263-V265 VanDerWaalsContact C-N 3.27Å; K263-V265 PolarHBondContact O-N 3.38Å; V265-F267 PolarHBondContact O-N 3.04Å; V265-T268 VanDerWaalsContact CA-OG1 3.26Å; V265-T268 WeakPolarHBondContact CA-OG1 3.39Å; V265-A269 WeakPolarHBondContact O-CA 3.44Å; V265-A269 WeakPolarHBondContact O-CB 3.34Å; V265-A269 PolarHBondContact O-N 3.49Å; V265-F425 HydrophobicContact CG1-CD2 4.32Å
266	Y	96.9	Very high	94.8	Very high	84 Å²	84	34.8 Å²	34.8	33%	0.329	17%	0.167	S	C	.	.	H	α-helix	trans	-62.1	-35.6	173.6	-83.2	-98.1	0	0	0	112.3	S43 D44 L47 G262 K263 V264 L270	S43-Y266 VanDerWaalsContact CB-OH 3.26Å; S43-Y266 WeakPolarHBondContact CB-OH 3.42Å; S43-Y266 PolarHBondContact OG-OH 2.63Å; D44-Y266 VanDerWaalsContact OD1-CE2 3.31Å; D44-Y266 WeakPolarHBondContact OD1-CE2 3.25Å; D44-Y266 PolarHBondContact OD1-OH 3.19Å; L47-Y266 HydrophobicContact CD1-CD1 3.68Å; L47-Y266 HydrophobicContact CD1-CD2 4.09Å; L47-Y266 HydrophobicContact CD1-CE1 3.74Å; L47-Y266 HydrophobicContact CD1-CE2 4.14Å; L47-Y266 HydrophobicContact CD1-CG 3.89Å; G262-Y266 WeakPolarHBondContact O-CD2 3.38Å; G262-Y266 WeakPolarHBondContact O-CE2 3.39Å; K263-Y266 PolarHBondContact O-N 3.19Å; V264-Y266 PolarHBondContact O-N 3.38Å; Y266-L270 VanDerWaalsContact O-CB 3.27Å; Y266-L270 WeakPolarHBondContact O-CB 3.3Å; Y266-L270 VanDerWaalsContact O-CD1 3.3Å; Y266-L270 WeakPolarHBondContact O-CD1 3.41Å; Y266-L270 VanDerWaalsContact O-CG 3.24Å; Y266-L270 WeakPolarHBondContact O-CG 3.46Å
267	F	97.1	Very high	95.1	Very high	106 Å²	106	35.8 Å²	35.8	47%	0.465	18%	0.176	S	C	.	.	H	α-helix	trans	-84.5	-53.7	174.6	-179.3	-100.4	0	0	0	110.3	V264 V265 A269 L270 F271 F414 T418	V264-F267 PolarHBondContact O-N 2.8Å; V265-F267 PolarHBondContact O-N 3.04Å; F267-A269 VanDerWaalsContact C-N 3.34Å; F267-A269 PolarHBondContact O-N 3.02Å; F267-L270 PolarHBondContact O-N 3.14Å; F267-F271 HydrophobicContact CD2-CB 4.45Å; F267-F271 HydrophobicContact CE1-CB 4.41Å; F267-F271 HydrophobicContact CE1-CG 4.4Å; F267-F271 HydrophobicContact CE2-CB 4.23Å; F267-F271 AromaticContact CE2-CD2 3.87Å; F267-F271 HydrophobicContact CE2-CD2 3.87Å; F267-F271 HydrophobicContact CE2-CG 4.2Å; F267-F271 HydrophobicContact CZ-CB 4.22Å; F267-F271 AromaticContact CZ-CD2 3.86Å; F267-F271 HydrophobicContact CZ-CD2 3.86Å; F267-F271 HydrophobicContact CZ-CE2 4.43Å; F267-F271 AromaticContact CZ-CG 3.95Å; F267-F271 HydrophobicContact CZ-CG 3.95Å; F267-F271 WeakPolarHBondContact O-CB 3.03Å; F267-F271 PolarHBondContact O-N 3.06Å; F267-F414 AromaticContact CE1-CE1 3.89Å; F267-F414 HydrophobicContact CE1-CE1 3.89Å; F267-F414 AromaticContact CE1-CZ 3.68Å; F267-F414 HydrophobicContact CE1-CZ 3.68Å; F267-F414 AromaticContact CZ-CE1 3.69Å; F267-F414 HydrophobicContact CZ-CE1 3.69Å; F267-F414 AromaticContact CZ-CZ 3.83Å; F267-F414 HydrophobicContact CZ-CZ 3.83Å; F267-T418 HydrophobicContact CE1-CG2 4.14Å
268	T	96.2	Very high	95.3	Very high	6 Å²	6	38.9 Å²	38.9	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-67.7	-31.5	-170.2	47.5	0	0	0	0	113.4	V264 V265 P272 T418 L421 D422	V264-T268 HydrophobicContact CG1-CG2 3.92Å; V264-T268 PolarHBondContact O-N 3.35Å; V264-T268 VanDerWaalsContact O-N 3.13Å; V264-T268 PolarHBondContact O-OG1 3.19Å; V265-T268 VanDerWaalsContact CA-OG1 3.26Å; V265-T268 WeakPolarHBondContact CA-OG1 3.39Å; T268-P272 WeakPolarHBondContact O-CD 3.47Å; T268-P272 WeakPolarHBondContact O-CG 3.35Å; T268-T418 HydrophobicContact CG2-CG2 4.2Å; T268-L421 HydrophobicContact CG2-CD1 4.45Å; T268-D422 WeakPolarHBondContact CB-OD1 3.35Å; T268-D422 PolarHBondContact OG1-OD1 3.17Å
269	A	94.8	Very high	95.4	Very high	6 Å²	6	38.8 Å²	38.8	5%	0.05	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-32.2	177	0	0	0	0	0	112.8	V265 F267 Y273 D422	V265-A269 WeakPolarHBondContact O-CA 3.44Å; V265-A269 WeakPolarHBondContact O-CB 3.34Å; V265-A269 PolarHBondContact O-N 3.49Å; F267-A269 VanDerWaalsContact C-N 3.34Å; F267-A269 PolarHBondContact O-N 3.02Å; A269-Y273 WeakPolarHBondContact O-CD2 3.34Å; A269-Y273 WeakPolarHBondContact O-CE2 3.33Å; A269-D422 WeakPolarHBondContact CA-OD2 3.23Å; A269-D422 WeakPolarHBondContact CB-OD2 3.25Å; A269-D422 PolarHBondContact N-OD2 3.38Å; A269-D422 VanDerWaalsContact N-OD2 3.07Å
270	L	95.9	Very high	95.5	Very high	83 Å²	83	39.4 Å²	39.4	44%	0.435	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-34.1	-177	-62.2	-178.7	0	0	0	113.4	L47 Y266 F267 Y273 V274	L47-L270 HydrophobicContact CD2-CD2 3.88Å; L47-L270 HydrophobicContact CD2-CG 4.38Å; Y266-L270 VanDerWaalsContact O-CB 3.27Å; Y266-L270 WeakPolarHBondContact O-CB 3.3Å; Y266-L270 VanDerWaalsContact O-CD1 3.3Å; Y266-L270 WeakPolarHBondContact O-CD1 3.41Å; Y266-L270 VanDerWaalsContact O-CG 3.24Å; Y266-L270 WeakPolarHBondContact O-CG 3.46Å; F267-L270 PolarHBondContact O-N 3.14Å; L270-Y273 WeakPolarHBondContact O-CB 3.36Å; L270-Y273 PolarHBondContact O-N 2.8Å; L270-Y273 VanDerWaalsContact O-N 3.08Å; L270-V274 PolarHBondContact O-N 2.85Å
271	F	96.3	Very high	95.6	Very high	38 Å²	38	42.8 Å²	42.8	17%	0.167	22%	0.215	C	C	.	.	H	α-helix	trans	-57.4	-40.1	-177.6	-178.1	-96.8	0	0	0	113.7	F267 Y273 V274 V275 L411 F414 T418	F267-F271 HydrophobicContact CD2-CB 4.45Å; F267-F271 HydrophobicContact CE1-CB 4.41Å; F267-F271 HydrophobicContact CE1-CG 4.4Å; F267-F271 HydrophobicContact CE2-CB 4.23Å; F267-F271 AromaticContact CE2-CD2 3.87Å; F267-F271 HydrophobicContact CE2-CD2 3.87Å; F267-F271 HydrophobicContact CE2-CG 4.2Å; F267-F271 HydrophobicContact CZ-CB 4.22Å; F267-F271 AromaticContact CZ-CD2 3.86Å; F267-F271 HydrophobicContact CZ-CD2 3.86Å; F267-F271 HydrophobicContact CZ-CE2 4.43Å; F267-F271 AromaticContact CZ-CG 3.95Å; F267-F271 HydrophobicContact CZ-CG 3.95Å; F267-F271 WeakPolarHBondContact O-CB 3.03Å; F267-F271 PolarHBondContact O-N 3.06Å; F271-Y273 VanDerWaalsContact C-N 3.26Å; F271-Y273 PolarHBondContact O-N 3.02Å; F271-V274 WeakPolarHBondContact O-CB 3.27Å; F271-V274 PolarHBondContact O-N 3.27Å; F271-V275 HydrophobicContact CD1-CG2 4.02Å; F271-V275 HydrophobicContact CE1-CG2 3.33Å; F271-V275 HydrophobicContact CE2-CG2 4.21Å; F271-V275 HydrophobicContact CZ-CG2 3.45Å; F271-V275 VanDerWaalsContact CZ-CG2 3.45Å; F271-V275 PolarHBondContact O-N 3.44Å; F271-V275 VanDerWaalsContact O-N 3.1Å; F271-L411 HydrophobicContact CZ-CD2 4.3Å; F271-F414 AromaticContact CD1-CD1 3.93Å; F271-F414 HydrophobicContact CD1-CD1 3.93Å; F271-F414 AromaticContact CD1-CE1 3.95Å; F271-F414 HydrophobicContact CD1-CE1 3.95Å; F271-F414 AromaticContact CE1-CD1 3.16Å; F271-F414 HydrophobicContact CE1-CD1 3.16Å; F271-F414 AromaticContact CE1-CE1 3.55Å; F271-F414 HydrophobicContact CE1-CE1 3.55Å; F271-F414 HydrophobicContact CE1-CG 4.24Å; F271-F414 HydrophobicContact CE2-CD1 4.39Å; F271-F414 HydrophobicContact CE2-CE1 4.23Å; F271-F414 HydrophobicContact CG-CE1 4.46Å; F271-F414 AromaticContact CZ-CD1 3.44Å; F271-F414 HydrophobicContact CZ-CD1 3.44Å; F271-F414 VanDerWaalsContact CZ-CD1 3.44Å; F271-F414 AromaticContact CZ-CE1 3.7Å; F271-F414 HydrophobicContact CZ-CE1 3.7Å; F271-T418 HydrophobicContact CD1-CG2 4.2Å
272	P	95.7	Very high	95.6	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.013	23%	0.225	C	C	.	.	H	α-helix	trans	-54.7	-38.4	173.5	-29.2	36	0	0	0	114.2	T268 V274 V275 L276 M415 T418 L419	T268-P272 WeakPolarHBondContact O-CD 3.47Å; T268-P272 WeakPolarHBondContact O-CG 3.35Å; P272-V274 VanDerWaalsContact C-N 3.31Å; P272-V274 PolarHBondContact O-N 2.78Å; P272-V275 PolarHBondContact O-N 3.1Å; P272-L276 WeakPolarHBondContact O-CB 3.3Å; P272-L276 VanDerWaalsContact O-CG 3.24Å; P272-L276 WeakPolarHBondContact O-CG 3.49Å; P272-L276 PolarHBondContact O-N 3.47Å; P272-M415 HydrophobicContact CB-CG 3.93Å; P272-M415 HydrophobicContact CG-CG 4.43Å; P272-T418 WeakPolarHBondContact CG-OG1 3.32Å; P272-L419 HydrophobicContact CB-CD1 4.36Å; P272-L419 HydrophobicContact CB-CD2 3.66Å; P272-L419 HydrophobicContact CB-CG 3.86Å; P272-L419 HydrophobicContact CG-CD2 3.61Å; P272-L419 HydrophobicContact CG-CG 3.68Å
273	Y	95.9	Very high	95.6	Very high	58 Å²	58	45.6 Å²	45.6	23%	0.227	23%	0.225	C	C	.	.	H	α-helix	trans	-66.2	-35.9	178.3	-65.4	-86.8	0	0	0	112.2	A269 L270 F271 L277 T357	A269-Y273 WeakPolarHBondContact O-CD2 3.34Å; A269-Y273 WeakPolarHBondContact O-CE2 3.33Å; L270-Y273 WeakPolarHBondContact O-CB 3.36Å; L270-Y273 PolarHBondContact O-N 2.8Å; L270-Y273 VanDerWaalsContact O-N 3.08Å; F271-Y273 VanDerWaalsContact C-N 3.26Å; F271-Y273 PolarHBondContact O-N 3.02Å; Y273-L277 VanDerWaalsContact O-CB 3.31Å; Y273-L277 WeakPolarHBondContact O-CB 3.26Å; Y273-L277 PolarHBondContact O-N 3.47Å; Y273-T357 HydrophobicContact CE1-CG2 3.68Å; Y273-T357 WeakPolarHBondContact CE1-OG1 3.39Å; Y273-T357 PolarHBondContact OH-OG1 3.31Å
274	V	96.6	Very high	95.5	Very high	77 Å²	77	44.4 Å²	44.4	47%	0.467	23%	0.233	S	C	.	.	H	α-helix	trans	-62.9	-47.8	174.4	179.9	0	0	0	0	110	L270 F271 P272 L277 I278	L270-V274 PolarHBondContact O-N 2.85Å; F271-V274 WeakPolarHBondContact O-CB 3.27Å; F271-V274 PolarHBondContact O-N 3.27Å; P272-V274 VanDerWaalsContact C-N 3.31Å; P272-V274 PolarHBondContact O-N 2.78Å; V274-L277 PolarHBondContact O-N 3.32Å; V274-I278 HydrophobicContact CG1-CD1 3.91Å; V274-I278 VanDerWaalsContact O-CG1 3.31Å; V274-I278 WeakPolarHBondContact O-CG1 3.27Å; V274-I278 PolarHBondContact O-N 3.28Å
275	V	95.4	Very high	95.5	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-44.6	179.2	177.8	0	0	0	0	111.5	F271 P272 L277 I278 L279 L411 M415	F271-V275 HydrophobicContact CD1-CG2 4.02Å; F271-V275 HydrophobicContact CE1-CG2 3.33Å; F271-V275 HydrophobicContact CE2-CG2 4.21Å; F271-V275 HydrophobicContact CZ-CG2 3.45Å; F271-V275 VanDerWaalsContact CZ-CG2 3.45Å; F271-V275 PolarHBondContact O-N 3.44Å; F271-V275 VanDerWaalsContact O-N 3.1Å; P272-V275 PolarHBondContact O-N 3.1Å; V275-L277 VanDerWaalsContact C-N 3.3Å; V275-L277 PolarHBondContact O-N 3.1Å; V275-I278 PolarHBondContact O-N 3.26Å; V275-L279 HydrophobicContact CG1-CD1 3.81Å; V275-L279 HydrophobicContact CG1-CG 4.1Å; V275-L279 WeakPolarHBondContact O-CB 3.44Å; V275-L279 WeakPolarHBondContact O-CG 3.49Å; V275-L279 PolarHBondContact O-N 3.15Å; V275-L411 HydrophobicContact CG1-CB 4.22Å; V275-M415 HydrophobicContact CB-CB 4.02Å; V275-M415 HydrophobicContact CB-CG 4.27Å; V275-M415 HydrophobicContact CB-SD 3.88Å; V275-M415 HydrophobicContact CG1-CB 3.89Å; V275-M415 HydrophobicContact CG1-CG 4.33Å; V275-M415 HydrophobicContact CG1-SD 3.69Å; V275-M415 HydrophobicContact CG2-CB 4.17Å
276	L	95.1	Very high	95.3	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-40	176.9	-73.1	176.9	0	0	0	111.8	P272 L279 L280 T357 F360 A361 A364 M415	P272-L276 WeakPolarHBondContact O-CB 3.3Å; P272-L276 VanDerWaalsContact O-CG 3.24Å; P272-L276 WeakPolarHBondContact O-CG 3.49Å; P272-L276 PolarHBondContact O-N 3.47Å; L276-L279 PolarHBondContact O-N 3.19Å; L276-L280 WeakPolarHBondContact O-CB 3.48Å; L276-L280 PolarHBondContact O-N 2.84Å; L276-T357 HydrophobicContact CD1-CG2 4.35Å; L276-F360 HydrophobicContact CB-CD1 3.97Å; L276-F360 HydrophobicContact CB-CE1 3.55Å; L276-F360 HydrophobicContact CD1-CD1 4.14Å; L276-F360 HydrophobicContact CD1-CE1 4.5Å; L276-A361 HydrophobicContact CD1-CB 4.03Å; L276-A361 HydrophobicContact CD2-CB 4.02Å; L276-A364 HydrophobicContact CD2-CB 4.19Å; L276-M415 HydrophobicContact CD2-CE 4.21Å; L276-M415 HydrophobicContact CD2-SD 3.74Å; L276-M415 HydrophobicContact CG-SD 3.78Å
277	L	96.4	Very high	95.2	Very high	94 Å²	94	50 Å²	50	49%	0.492	27%	0.265	S	S	.	.	H	α-helix	trans	-64.7	-45.7	175.1	-179.5	63.8	0	0	0	111.7	Y273 V274 V275 L280 V281 F360	Y273-L277 VanDerWaalsContact O-CB 3.31Å; Y273-L277 WeakPolarHBondContact O-CB 3.26Å; Y273-L277 PolarHBondContact O-N 3.47Å; V274-L277 PolarHBondContact O-N 3.32Å; V275-L277 VanDerWaalsContact C-N 3.3Å; V275-L277 PolarHBondContact O-N 3.1Å; L277-L280 PolarHBondContact O-N 2.76Å; L277-V281 HydrophobicContact CD1-CG2 4.41Å; L277-V281 WeakPolarHBondContact O-CG2 3.25Å; L277-V281 PolarHBondContact O-N 3.03Å; L277-F360 HydrophobicContact CB-CZ 4.3Å; L277-F360 HydrophobicContact CD1-CZ 4.26Å
278	I	95.5	Very high	94.9	Very high	65 Å²	65	45.6 Å²	45.6	33%	0.333	25%	0.25	S	C	.	.	H	α-helix	trans	-59.7	-47.2	176.6	-73	166.7	0	0	0	110.8	V274 V275 L280 V281 R282 W408 L411	V274-I278 HydrophobicContact CG1-CD1 3.91Å; V274-I278 VanDerWaalsContact O-CG1 3.31Å; V274-I278 WeakPolarHBondContact O-CG1 3.27Å; V274-I278 PolarHBondContact O-N 3.28Å; V275-I278 PolarHBondContact O-N 3.26Å; I278-L280 VanDerWaalsContact C-N 3.35Å; I278-V281 PolarHBondContact O-N 3.43Å; I278-R282 WeakPolarHBondContact O-CB 3.18Å; I278-R282 PolarHBondContact O-N 3.42Å; I278-W408 HydrophobicContact CG2-CH2 4.49Å; I278-W408 HydrophobicContact CG2-CZ3 3.72Å; I278-L411 HydrophobicContact CG2-CD1 4.48Å
279	L	93.3	Very high	94.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-35.9	178.3	-70.9	178	0	0	0	112	V275 L276 G283 A364 I368 L399 W408 F412	V275-L279 HydrophobicContact CG1-CD1 3.81Å; V275-L279 HydrophobicContact CG1-CG 4.1Å; V275-L279 WeakPolarHBondContact O-CB 3.44Å; V275-L279 WeakPolarHBondContact O-CG 3.49Å; V275-L279 PolarHBondContact O-N 3.15Å; L276-L279 PolarHBondContact O-N 3.19Å; L279-G283 WeakPolarHBondContact O-CA 3.16Å; L279-G283 PolarHBondContact O-N 2.86Å; L279-A364 HydrophobicContact CB-CB 4.38Å; L279-I368 HydrophobicContact CB-CD1 4.17Å; L279-I368 HydrophobicContact CD2-CD1 3.96Å; L279-L399 HydrophobicContact CD2-CD2 4.39Å; L279-W408 HydrophobicContact CD2-CE3 3.89Å; L279-W408 HydrophobicContact CD2-CZ3 4.44Å; L279-F412 HydrophobicContact CD1-CD2 4.06Å
280	L	94.9	Very high	94.7	Very high	40 Å²	40	49.7 Å²	49.7	21%	0.209	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-49	175.1	177.4	62	0	0	0	111.7	L276 L277 I278 R282 G283 A284 F360 F363 A364	L276-L280 WeakPolarHBondContact O-CB 3.48Å; L276-L280 PolarHBondContact O-N 2.84Å; L277-L280 PolarHBondContact O-N 2.76Å; I278-L280 VanDerWaalsContact C-N 3.35Å; L280-R282 VanDerWaalsContact C-N 3.31Å; L280-R282 PolarHBondContact O-N 3.33Å; L280-G283 PolarHBondContact O-N 3.29Å; L280-A284 WeakPolarHBondContact O-CB 3.48Å; L280-A284 PolarHBondContact O-N 2.93Å; L280-F360 HydrophobicContact CD2-CD2 4.11Å; L280-F360 HydrophobicContact CD2-CE2 3.34Å; L280-F360 HydrophobicContact CD2-CZ 3.88Å; L280-F363 HydrophobicContact CD1-CB 3.78Å; L280-A364 HydrophobicContact CB-CB 4.01Å
281	V	95.8	Very high	94.4	Very high	87 Å²	87	50.5 Å²	50.5	53%	0.527	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-46.8	177.3	171.6	0	0	0	0	109.7	L277 I278 T285	L277-V281 HydrophobicContact CD1-CG2 4.41Å; L277-V281 WeakPolarHBondContact O-CG2 3.25Å; L277-V281 PolarHBondContact O-N 3.03Å; I278-V281 PolarHBondContact O-N 3.43Å; V281-T285 WeakPolarHBondContact O-CG2 3.26Å; V281-T285 PolarHBondContact O-N 3.18Å
282	R	94.4	Very high	94.2	Very high	64 Å²	64	48.7 Å²	48.7	24%	0.242	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-52.7	177.1	179.6	58.2	-176.6	154.5	0.6	111.1	I278 L280 A284 T285 L286 P403 W408	I278-R282 WeakPolarHBondContact O-CB 3.18Å; I278-R282 PolarHBondContact O-N 3.42Å; L280-R282 VanDerWaalsContact C-N 3.31Å; L280-R282 PolarHBondContact O-N 3.33Å; R282-A284 VanDerWaalsContact C-N 3.33Å; R282-A284 PolarHBondContact O-N 3.31Å; R282-T285 PolarHBondContact O-N 2.93Å; R282-T285 VanDerWaalsContact O-N 3.11Å; R282-T285 PolarHBondContact O-OG1 2.89Å; R282-L286 WeakPolarHBondContact O-CG 3.21Å; R282-L286 PolarHBondContact O-N 2.96Å; R282-P403 VanDerWaalsContact NH2-CG 3.27Å; R282-W408 HydrophobicContact CB-CH2 3.67Å; R282-W408 HydrophobicContact CB-CZ2 4.44Å; R282-W408 HydrophobicContact CB-CZ3 3.77Å; R282-W408 HydrophobicContact CG-CE3 4.42Å; R282-W408 HydrophobicContact CG-CH2 3.48Å; R282-W408 VanDerWaalsContact CG-CH2 3.48Å; R282-W408 HydrophobicContact CG-CZ2 3.75Å; R282-W408 HydrophobicContact CG-CZ3 3.82Å
283	G	93.6	Very high	94.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.6	-42.9	-178.6	0	0	0	0	0	112.5	L279 L280 T285 L286 A289 S367	L279-G283 WeakPolarHBondContact O-CA 3.16Å; L279-G283 PolarHBondContact O-N 2.86Å; L280-G283 PolarHBondContact O-N 3.29Å; G283-T285 PolarHBondContact O-N 3.47Å; G283-L286 WeakPolarHBondContact O-CB 3.23Å; G283-L286 PolarHBondContact O-N 3.38Å; G283-L286 VanDerWaalsContact O-N 3.14Å; G283-A289 WeakPolarHBondContact O-CB 3.47Å; G283-S367 WeakPolarHBondContact CA-OG 3.32Å
284	A	94.4	Very high	93.9	Very high	67 Å²	67	49.4 Å²	49.4	55%	0.554	28%	0.28	S	S	*	.	H	α-helix	trans	-65	-26.6	177.7	0	0	0	0	0	113.4	L280 R282 L286	L280-A284 WeakPolarHBondContact O-CB 3.48Å; L280-A284 PolarHBondContact O-N 2.93Å; R282-A284 VanDerWaalsContact C-N 3.33Å; R282-A284 PolarHBondContact O-N 3.31Å; A284-L286 VanDerWaalsContact C-N 3.33Å
285	T	94.6	Very high	93.5	Very high	93 Å²	93	48.2 Å²	48.2	57%	0.571	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.9	176.5	65.7	0	0	0	0	113.9	V281 R282 G283	V281-T285 WeakPolarHBondContact O-CG2 3.26Å; V281-T285 PolarHBondContact O-N 3.18Å; R282-T285 PolarHBondContact O-N 2.93Å; R282-T285 VanDerWaalsContact O-N 3.11Å; R282-T285 PolarHBondContact O-OG1 2.89Å; G283-T285 PolarHBondContact O-N 3.47Å
286	L	93.8	Very high	93.4	Very high	17 Å²	17	48.2 Å²	48.2	9%	0.089	27%	0.267	C	S	.	.	S	Bend	trans	-83.9	144.5	-178.4	-66.1	170.3	0	0	0	112.1	R282 G283 A284 G288 A289 H371 L402	R282-L286 WeakPolarHBondContact O-CG 3.21Å; R282-L286 PolarHBondContact O-N 2.96Å; G283-L286 WeakPolarHBondContact O-CB 3.23Å; G283-L286 PolarHBondContact O-N 3.38Å; G283-L286 VanDerWaalsContact O-N 3.14Å; A284-L286 VanDerWaalsContact C-N 3.33Å; L286-G288 PolarHBondContact O-N 3.24Å; L286-A289 VanDerWaalsContact O-CB 3.25Å; L286-A289 WeakPolarHBondContact O-CB 3.15Å; L286-A289 PolarHBondContact O-N 3.08Å; L286-H371 HydrophobicContact CB-CB 3.75Å; L286-H371 HydrophobicContact CD1-CB 3.87Å; L286-H371 HydrophobicContact CG-CB 4.4Å; L286-L402 HydrophobicContact CD1-CD2 3.44Å; L286-L402 VanDerWaalsContact CD1-CD2 3.44Å; L286-L402 HydrophobicContact CD2-CD2 3.92Å; L286-L402 HydrophobicContact CG-CD2 4.33Å
287	E	93.8	Very high	93.2	Very high	144 Å²	144	50 Å²	50	67%	0.673	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	135.5	172.8	-65.6	-176.9	175.1	0	0	111	A289 H371	E287-A289 VanDerWaalsContact C-N 3.27Å; E287-A289 PolarHBondContact O-N 2.8Å; E287-H371 WeakPolarHBondContact O-CA 3.33Å; E287-H371 PolarHBondContact O-ND1 3.39Å
288	G	91.6	Very high	92.7	Very high	13 Å²	13	47.1 Å²	47.1	13%	0.134	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	-0.8	-179	0	0	0	0	0	115.5	L286 S290 K291 G370	L286-G288 PolarHBondContact O-N 3.24Å; G288-S290 PolarHBondContact O-N 2.6Å; G288-K291 WeakPolarHBondContact O-CB 3.41Å; G288-K291 PolarHBondContact O-N 3.05Å; G288-G370 CarbonylContact O-C 2.94Å; G288-G370 VanDerWaalsContact O-C 3.29Å
289	A	93.1	Very high	92.1	Very high	7 Å²	7	48.6 Å²	48.6	6%	0.058	29%	0.291	C	S	.	.	H	α-helix	trans	-54.4	-36	174.9	0	0	0	0	0	113	G283 L286 E287 K291 G292 I293 S367	G283-A289 WeakPolarHBondContact O-CB 3.47Å; L286-A289 VanDerWaalsContact O-CB 3.25Å; L286-A289 WeakPolarHBondContact O-CB 3.15Å; L286-A289 PolarHBondContact O-N 3.08Å; E287-A289 VanDerWaalsContact C-N 3.27Å; E287-A289 PolarHBondContact O-N 2.8Å; A289-K291 PolarHBondContact O-N 3Å; A289-G292 PolarHBondContact O-N 3.45Å; A289-G292 VanDerWaalsContact O-N 3.13Å; A289-I293 PolarHBondContact O-N 3.46Å; A289-I293 VanDerWaalsContact O-N 3.08Å; A289-S367 WeakPolarHBondContact CA-O 3.34Å
290	S	92.4	Very high	91.6	Very high	91 Å²	91	54.1 Å²	54.1	64%	0.636	32%	0.317	S	S	*	.	H	α-helix	trans	-58.9	-31.4	176.2	60.9	0	0	0	0	113.4	G288 S294	G288-S290 PolarHBondContact O-N 2.6Å; S290-S294 WeakPolarHBondContact O-CB 3.24Å; S290-S294 PolarHBondContact O-N 3.47Å
291	K	91.1	Very high	91.4	Very high	100 Å²	100	53.3 Å²	53.3	44%	0.435	32%	0.315	S	S	.	.	H	α-helix	trans	-62.8	-45.9	175.7	-66.6	-178.2	174.1	179.2	0	110.8	G288 A289 Y295 H374 V380	G288-K291 WeakPolarHBondContact O-CB 3.41Å; G288-K291 PolarHBondContact O-N 3.05Å; A289-K291 PolarHBondContact O-N 3Å; K291-Y295 WeakPolarHBondContact O-CB 3.31Å; K291-Y295 PolarHBondContact O-N 3.06Å; K291-H374 HydrophobicContact CD-CB 4.4Å; K291-H374 PolarHBondContact NZ-ND1 3.4Å; K291-V380 HydrophobicContact CB-CG2 4.46Å
292	G	91.9	Very high	91.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68	-43	179	0	0	0	0	0	112.7	A289 S294 Y295 Y296 F366	A289-G292 PolarHBondContact O-N 3.45Å; A289-G292 VanDerWaalsContact O-N 3.13Å; G292-S294 PolarHBondContact O-N 3.27Å; G292-Y295 WeakPolarHBondContact O-CB 3.19Å; G292-Y295 PolarHBondContact O-N 3.46Å; G292-Y296 WeakPolarHBondContact O-CB 3.31Å; G292-Y296 PolarHBondContact O-N 3.34Å; G292-F366 VanDerWaalsContact CA-O 3.32Å; G292-F366 WeakPolarHBondContact CA-O 3.45Å
293	I	93.7	Very high	91.2	Very high	45 Å²	45	55.2 Å²	55.2	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-65.6	-40.1	176.4	-59.8	-47	0	0	0	111.8	A289 Y295 Y296 I297 G298 F363 F366	A289-I293 PolarHBondContact O-N 3.46Å; A289-I293 VanDerWaalsContact O-N 3.08Å; I293-Y295 PolarHBondContact O-N 2.87Å; I293-Y296 PolarHBondContact O-N 3.2Å; I293-I297 PolarHBondContact O-N 3.06Å; I293-I297 VanDerWaalsContact O-N 3.15Å; I293-G298 PolarHBondContact O-N 3.32Å; I293-G298 VanDerWaalsContact O-N 3.1Å; I293-F363 HydrophobicContact CD1-CD1 3.83Å; I293-F363 HydrophobicContact CG2-CD1 4.15Å; I293-F363 HydrophobicContact CG2-CE1 3.91Å; I293-F366 HydrophobicContact CD1-CB 4.17Å
294	S	91.4	Very high	91.2	Very high	30 Å²	30	59.1 Å²	59.1	21%	0.21	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-33.2	175.2	-171.7	0	0	0	0	112.6	S290 G292 G298 A299 Q300	S290-S294 WeakPolarHBondContact O-CB 3.24Å; S290-S294 PolarHBondContact O-N 3.47Å; G292-S294 PolarHBondContact O-N 3.27Å; S294-G298 CarbonylContact O-C 3.55Å; S294-G298 PolarHBondContact O-N 3.29Å; S294-A299 PolarHBondContact OG-N 3.41Å; S294-Q300 WeakPolarHBondContact O-CB 3.44Å; S294-Q300 PolarHBondContact O-N 2.94Å
295	Y	87.9	Confident	91.1	Very high	52 Å²	52	58.6 Å²	58.6	20%	0.204	33%	0.33	C	S	.	.	H	α-helix	trans	-74.8	-33.3	175.6	-166.3	-93.4	0	0	0	112.3	Y67 K291 G292 I293 F366 V380 S381	Y67-Y295 HydrophobicContact CD2-CD1 4.45Å; Y67-Y295 AromaticContact CD2-CE1 3.39Å; Y67-Y295 HydrophobicContact CD2-CE1 3.39Å; Y67-Y295 AromaticContact CD2-CZ 3.9Å; Y67-Y295 HydrophobicContact CE2-CE1 4.17Å; Y67-Y295 HydrophobicContact CG-CD1 4.38Å; Y67-Y295 AromaticContact CG-CE1 3.69Å; Y67-Y295 HydrophobicContact CG-CE1 3.69Å; K291-Y295 WeakPolarHBondContact O-CB 3.31Å; K291-Y295 PolarHBondContact O-N 3.06Å; G292-Y295 WeakPolarHBondContact O-CB 3.19Å; G292-Y295 PolarHBondContact O-N 3.46Å; I293-Y295 PolarHBondContact O-N 2.87Å; Y295-F366 AromaticContact CD1-CE1 3.91Å; Y295-F366 HydrophobicContact CD1-CE1 3.91Å; Y295-V380 HydrophobicContact CD1-CB 4.04Å; Y295-V380 HydrophobicContact CD1-CG1 3.63Å; Y295-V380 HydrophobicContact CD2-CB 4.06Å; Y295-V380 HydrophobicContact CE1-CB 4.45Å; Y295-V380 HydrophobicContact CE1-CG1 4.14Å; Y295-V380 HydrophobicContact CG-CB 3.85Å; Y295-V380 HydrophobicContact CG-CG1 3.87Å; Y295-V380 HydrophobicContact CG-CG2 4.46Å; Y295-S381 VanDerWaalsContact OH-CB 3.32Å; Y295-S381 WeakPolarHBondContact OH-CB 3.37Å
296	Y	92	Very high	90.9	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-74.3	-64.4	-178.4	177.8	-135.3	0	0	0	113.7	F62 P63 T66 G71 G72 G292 I293 V359 G362 F363 F366	F62-Y296 VanDerWaalsContact CE1-OH 3.25Å; F62-Y296 WeakPolarHBondContact CE1-OH 3.14Å; P63-Y296 HydrophobicContact CB-CE2 4.48Å; T66-Y296 HydrophobicContact CG2-CD2 3.82Å; T66-Y296 HydrophobicContact CG2-CE2 3.42Å; T66-Y296 VanDerWaalsContact CG2-CE2 3.42Å; G71-Y296 CarbonylContact C-O 3.48Å; G71-Y296 VanDerWaalsContact C-O 3.22Å; G71-Y296 WeakPolarHBondContact CA-O 3.1Å; G72-Y296 PolarHBondContact N-O 3.35Å; G292-Y296 WeakPolarHBondContact O-CB 3.31Å; G292-Y296 PolarHBondContact O-N 3.34Å; I293-Y296 PolarHBondContact O-N 3.2Å; Y296-V359 PolarHBondContact OH-O 2.89Å; Y296-G362 VanDerWaalsContact CE1-C 3.45Å; Y296-F363 HydrophobicContact CD1-CD1 4.45Å; Y296-F363 HydrophobicContact CE1-CD2 4.26Å; Y296-F363 HydrophobicContact CE1-CE2 4.43Å; Y296-F363 HydrophobicContact CE1-CG 4.34Å; Y296-F366 HydrophobicContact CD1-CB 4.49Å; Y296-F366 HydrophobicContact CD1-CD2 4.28Å; Y296-F366 AromaticContact CD2-CD2 3.54Å; Y296-F366 HydrophobicContact CD2-CD2 3.54Å; Y296-F366 AromaticContact CD2-CE2 3.57Å; Y296-F366 HydrophobicContact CD2-CE2 3.57Å; Y296-F366 HydrophobicContact CD2-CG 4.26Å; Y296-F366 HydrophobicContact CD2-CZ 4.33Å; Y296-F366 HydrophobicContact CE2-CD2 4.21Å; Y296-F366 HydrophobicContact CE2-CE2 4.19Å; Y296-F366 HydrophobicContact CG-CB 4.21Å; Y296-F366 AromaticContact CG-CD2 3.6Å; Y296-F366 HydrophobicContact CG-CD2 3.6Å; Y296-F366 HydrophobicContact CG-CE2 4.09Å; Y296-F366 AromaticContact CG-CG 3.92Å; Y296-F366 HydrophobicContact CG-CG 3.92Å
297	I	90.8	Very high	90.8	Very high	41 Å²	41	66 Å²	66	21%	0.21	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	-6.1	-176.8	-67.3	167.8	0	0	0	112	T66 L75 I293 S301 V359 F363	T66-I297 HydrophobicContact CG2-CG1 4.18Å; L75-I297 HydrophobicContact CD1-CD1 3.87Å; L75-I297 HydrophobicContact CD1-CG1 4.2Å; L75-I297 HydrophobicContact CD1-CG2 4.04Å; L75-I297 HydrophobicContact CD2-CD1 4.34Å; L75-I297 HydrophobicContact CG-CD1 4.48Å; I293-I297 PolarHBondContact O-N 3.06Å; I293-I297 VanDerWaalsContact O-N 3.15Å; I297-S301 PolarHBondContact O-OG 2.99Å; I297-V359 HydrophobicContact CD1-CG1 4.15Å; I297-F363 HydrophobicContact CD1-CE2 4.31Å; I297-F363 HydrophobicContact CD1-CZ 4.27Å
298	G	85.9	Confident	90.4	Very high	32 Å²	32	62.4 Å²	62.4	33%	0.33	33%	0.332	S	S	.	.	S	Bend	trans	-83.4	-143.6	-175.7	0	0	0	0	0	114.9	I293 S294 Q300 S301	I293-G298 PolarHBondContact O-N 3.32Å; I293-G298 VanDerWaalsContact O-N 3.1Å; S294-G298 CarbonylContact O-C 3.55Å; S294-G298 PolarHBondContact O-N 3.29Å; G298-Q300 PolarHBondContact O-N 3.29Å; G298-S301 WeakPolarHBondContact O-CB 3.06Å; G298-S301 PolarHBondContact O-N 2.98Å; G298-S301 VanDerWaalsContact O-N 3.13Å; G298-S301 PolarHBondContact O-OG 3.35Å
299	A	83	Confident	90	Very high	97 Å²	97	64.6 Å²	64.6	80%	0.802	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.8	-166.5	0	0	0	0	0	115	S294 S301	S294-A299 PolarHBondContact OG-N 3.41Å; A299-S301 VanDerWaalsContact C-N 3.28Å
300	Q	83.6	Confident	89.5	Confident	117 Å²	117	68.8 Å²	68.8	55%	0.547	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	8.2	179.4	-58.6	-176.8	11.8	0	0	113.1	S294 G298 N302	S294-Q300 WeakPolarHBondContact O-CB 3.44Å; S294-Q300 PolarHBondContact O-N 2.94Å; G298-Q300 PolarHBondContact O-N 3.29Å; Q300-N302 PolarHBondContact O-N 2.67Å
301	S	91	Very high	89.4	Confident	23 Å²	23	64.5 Å²	64.5	16%	0.161	34%	0.338	C	S	.	.			trans	-62.9	129	176.7	-60.7	0	0	0	0	111.3	G70 G72 I297 G298 A299	G70-S301 CarbonylContact O-C 3.29Å; G70-S301 WeakPolarHBondContact O-CA 3.42Å; G72-S301 WeakPolarHBondContact CA-OG 3.2Å; G72-S301 PolarHBondContact N-OG 3.2Å; I297-S301 PolarHBondContact O-OG 2.99Å; G298-S301 WeakPolarHBondContact O-CB 3.06Å; G298-S301 PolarHBondContact O-N 2.98Å; G298-S301 VanDerWaalsContact O-N 3.13Å; G298-S301 PolarHBondContact O-OG 3.35Å; A299-S301 VanDerWaalsContact C-N 3.28Å
302	N	91.7	Very high	89.2	Confident	66 Å²	66	63.7 Å²	63.7	35%	0.353	33%	0.332	S	S	.	.			trans	-107.1	103.1	-177.9	-174.7	-3	0	0	0	111.2	G70 Q300 T304 K305	G70-N302 PolarHBondContact O-N 3.03Å; Q300-N302 PolarHBondContact O-N 2.67Å; N302-T304 VanDerWaalsContact C-N 3.3Å; N302-T304 PolarHBondContact ND2-OG1 2.73Å; N302-T304 PolarHBondContact O-N 3.33Å; N302-T304 WeakPolarHBondContact OD1-CB 3.3Å; N302-T304 PolarHBondContact OD1-N 3.46Å; N302-T304 PolarHBondContact OD1-OG1 3.14Å; N302-K305 HydrophobicContact CB-CG 4.33Å; N302-K305 WeakPolarHBondContact O-CB 3.05Å; N302-K305 PolarHBondContact O-N 2.96Å
303	F	93.8	Very high	88.8	Confident	124 Å²	124	65.6 Å²	65.6	54%	0.544	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-73.5	-16.4	178.8	-73.5	-95.7	0	0	0	114.1	A73 I76 K305 L306	A73-F303 HydrophobicContact CB-CD1 3.95Å; A73-F303 HydrophobicContact CB-CD2 4.44Å; A73-F303 HydrophobicContact CB-CE1 4.18Å; A73-F303 HydrophobicContact CB-CG 4.09Å; I76-F303 HydrophobicContact CD1-CD1 4.44Å; I76-F303 HydrophobicContact CD1-CE1 3.91Å; F303-K305 PolarHBondContact O-N 3.37Å; F303-L306 HydrophobicContact CD1-CD1 3.88Å; F303-L306 WeakPolarHBondContact O-CB 3.48Å; F303-L306 WeakPolarHBondContact O-CG 3.48Å; F303-L306 PolarHBondContact O-N 3.31Å; F303-L306 VanDerWaalsContact O-N 3.16Å
304	T	94.3	Very high	88.4	Confident	82 Å²	82	64.3 Å²	64.3	50%	0.503	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-66.3	-26.9	177.1	71.5	0	0	0	0	111.6	N302 L306 R307	N302-T304 VanDerWaalsContact C-N 3.3Å; N302-T304 PolarHBondContact ND2-OG1 2.73Å; N302-T304 PolarHBondContact O-N 3.33Å; N302-T304 WeakPolarHBondContact OD1-CB 3.3Å; N302-T304 PolarHBondContact OD1-N 3.46Å; N302-T304 PolarHBondContact OD1-OG1 3.14Å; T304-L306 PolarHBondContact O-N 2.9Å; T304-R307 WeakPolarHBondContact O-CB 3.21Å; T304-R307 PolarHBondContact O-N 2.91Å; T304-R307 VanDerWaalsContact O-N 3.08Å
305	K	91.1	Very high	88.4	Confident	57 Å²	57	62.9 Å²	62.9	25%	0.248	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-56.5	-26.9	174.1	-78.5	-86.1	164.7	-166	0	112.8	N302 F303 R307 E308 V311	N302-K305 HydrophobicContact CB-CG 4.33Å; N302-K305 WeakPolarHBondContact O-CB 3.05Å; N302-K305 PolarHBondContact O-N 2.96Å; F303-K305 PolarHBondContact O-N 3.37Å; K305-R307 PolarHBondContact O-N 2.99Å; K305-E308 WeakPolarHBondContact CD-OE1 3.24Å; K305-E308 WeakPolarHBondContact CD-OE2 3.46Å; K305-E308 VanDerWaalsContact CE-OE1 3.27Å; K305-E308 WeakPolarHBondContact CE-OE1 3.27Å; K305-E308 VanDerWaalsContact NZ-CD 3.32Å; K305-E308 IonicContact NZ-OE1 3.29Å; K305-E308 PolarHBondContact NZ-OE1 2.86Å; K305-E308 VanDerWaalsContact NZ-OE1 3.08Å; K305-E308 IonicContact NZ-OE2 2.72Å; K305-E308 PolarHBondContact NZ-OE2 3.11Å; K305-E308 WeakPolarHBondContact O-CB 3.48Å; K305-E308 PolarHBondContact O-N 2.94Å; K305-V311 HydrophobicContact CB-CG2 4.13Å; K305-V311 HydrophobicContact CD-CG2 4.27Å; K305-V311 VanDerWaalsContact O-CG2 3.28Å; K305-V311 WeakPolarHBondContact O-CG2 3.46Å
306	L	91.6	Very high	88.3	Confident	39 Å²	39	60.4 Å²	60.4	20%	0.204	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-62.2	-17.4	176.6	-64.9	177.8	0	0	0	114.1	A73 I76 P77 F303 T304 E308 V311 W312	A73-L306 HydrophobicContact CB-CD1 4.46Å; A73-L306 HydrophobicContact CB-CD2 4.37Å; A73-L306 HydrophobicContact CB-CG 4.24Å; A73-L306 WeakPolarHBondContact O-CD2 3.27Å; I76-L306 HydrophobicContact CD1-CD1 4.07Å; P77-L306 HydrophobicContact CG-CD2 4.01Å; F303-L306 HydrophobicContact CD1-CD1 3.88Å; F303-L306 WeakPolarHBondContact O-CB 3.48Å; F303-L306 WeakPolarHBondContact O-CG 3.48Å; F303-L306 PolarHBondContact O-N 3.31Å; F303-L306 VanDerWaalsContact O-N 3.16Å; T304-L306 PolarHBondContact O-N 2.9Å; L306-E308 VanDerWaalsContact C-N 3.29Å; L306-V311 HydrophobicContact CD2-CG1 4.45Å; L306-W312 PolarHBondContact O-NE1 3.2Å
307	R	90.3	Very high	87.9	Confident	227 Å²	227	61.6 Å²	61.6	86%	0.857	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-78.3	-15	173.9	-61	-178.8	179.6	178.7	-0.1	112.7	T304 K305	T304-R307 WeakPolarHBondContact O-CB 3.21Å; T304-R307 PolarHBondContact O-N 2.91Å; T304-R307 VanDerWaalsContact O-N 3.08Å; K305-R307 PolarHBondContact O-N 2.99Å
308	E	86.8	Confident	87.9	Confident	67 Å²	67	59.7 Å²	59.7	31%	0.313	31%	0.312	S	S	.	.			trans	-86.2	124.5	-177.9	-60.3	174.8	-153.7	0	0	109.9	K305 L306 E310 V311	K305-E308 WeakPolarHBondContact CD-OE1 3.24Å; K305-E308 WeakPolarHBondContact CD-OE2 3.46Å; K305-E308 VanDerWaalsContact CE-OE1 3.27Å; K305-E308 WeakPolarHBondContact CE-OE1 3.27Å; K305-E308 VanDerWaalsContact NZ-CD 3.32Å; K305-E308 IonicContact NZ-OE1 3.29Å; K305-E308 PolarHBondContact NZ-OE1 2.86Å; K305-E308 VanDerWaalsContact NZ-OE1 3.08Å; K305-E308 IonicContact NZ-OE2 2.72Å; K305-E308 PolarHBondContact NZ-OE2 3.11Å; K305-E308 WeakPolarHBondContact O-CB 3.48Å; K305-E308 PolarHBondContact O-N 2.94Å; L306-E308 VanDerWaalsContact C-N 3.29Å; E308-E310 PolarHBondContact O-N 2.99Å; E308-V311 HydrophobicContact CB-CG2 4.1Å; E308-V311 WeakPolarHBondContact O-CB 3.38Å; E308-V311 PolarHBondContact O-N 3.49Å
309	A	82.4	Confident	88.1	Confident	60 Å²	60	58.1 Å²	58.1	50%	0.496	30%	0.296	S	S	.	.	H	α-helix	trans	-61.8	-28.1	179.3	0	0	0	0	0	112.9	V311 W312 K313	A309-V311 VanDerWaalsContact C-N 3.29Å; A309-V311 PolarHBondContact O-N 2.79Å; A309-W312 PolarHBondContact O-N 2.93Å; A309-K313 PolarHBondContact O-N 3Å; A309-K313 VanDerWaalsContact O-N 3.07Å
310	E	82.7	Confident	88.2	Confident	95 Å²	95	53.8 Å²	53.8	44%	0.444	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-37.6	178.3	-176.6	163.7	-155.7	0	0	112.3	E308 W312 K313 D314 W543	E308-E310 PolarHBondContact O-N 2.99Å; E310-W312 PolarHBondContact O-N 3.15Å; E310-K313 PolarHBondContact O-N 3.08Å; E310-D314 WeakPolarHBondContact O-CB 3.26Å; E310-D314 PolarHBondContact O-N 2.91Å; E310-W543 HydrophobicContact CB-CH2 4.37Å; E310-W543 HydrophobicContact CB-CZ2 4.26Å; E310-W543 HydrophobicContact CG-CH2 4.31Å
311	V	89.9	Confident	88.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-43.7	178.1	168.6	0	0	0	0	111.5	N69 F74 P77 K305 L306 E308 A309 A315	N69-V311 HydrophobicContact CB-CB 4.4Å; N69-V311 HydrophobicContact CB-CG1 4.14Å; N69-V311 HydrophobicContact CB-CG2 3.92Å; F74-V311 HydrophobicContact CD2-CG1 4.12Å; P77-V311 HydrophobicContact CG-CG1 3.92Å; K305-V311 HydrophobicContact CB-CG2 4.13Å; K305-V311 HydrophobicContact CD-CG2 4.27Å; K305-V311 VanDerWaalsContact O-CG2 3.28Å; K305-V311 WeakPolarHBondContact O-CG2 3.46Å; L306-V311 HydrophobicContact CD2-CG1 4.45Å; E308-V311 HydrophobicContact CB-CG2 4.1Å; E308-V311 WeakPolarHBondContact O-CB 3.38Å; E308-V311 PolarHBondContact O-N 3.49Å; A309-V311 VanDerWaalsContact C-N 3.29Å; A309-V311 PolarHBondContact O-N 2.79Å; V311-A315 WeakPolarHBondContact O-CB 3.33Å; V311-A315 PolarHBondContact O-N 2.84Å
312	W	87.8	Confident	88.2	Confident	84 Å²	84	49.7 Å²	49.7	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-69.8	-37	177.8	-69.5	87.8	0	0	0	112.1	P77 I80 M81 L306 A309 E310 A315 A316	P77-W312 HydrophobicContact CB-CD2 3.72Å; P77-W312 HydrophobicContact CB-CE3 3.48Å; P77-W312 VanDerWaalsContact CB-CE3 3.48Å; P77-W312 HydrophobicContact CB-CG 4.34Å; P77-W312 HydrophobicContact CB-CH2 4.2Å; P77-W312 HydrophobicContact CB-CZ2 4.37Å; P77-W312 HydrophobicContact CB-CZ3 3.75Å; I80-W312 HydrophobicContact CB-CZ3 4.21Å; I80-W312 HydrophobicContact CD1-CH2 3.7Å; I80-W312 HydrophobicContact CD1-CZ3 3.93Å; I80-W312 HydrophobicContact CG2-CZ3 4.05Å; M81-W312 HydrophobicContact CE-CB 4.49Å; M81-W312 HydrophobicContact CE-CE3 3.65Å; M81-W312 HydrophobicContact CE-CZ3 4.34Å; L306-W312 PolarHBondContact O-NE1 3.2Å; A309-W312 PolarHBondContact O-N 2.93Å; E310-W312 PolarHBondContact O-N 3.15Å; W312-A315 PolarHBondContact O-N 2.81Å; W312-A316 WeakPolarHBondContact O-CB 3.47Å; W312-A316 PolarHBondContact O-N 2.88Å
313	K	82.3	Confident	88.3	Confident	40 Å²	40	46.5 Å²	46.5	17%	0.174	22%	0.219	C	C	.	.	H	α-helix	trans	-65.2	-47.3	175.1	179.4	-91.4	-34.2	-173.8	0	111.1	A309 E310 A315 A316 T317 I540 W543	A309-K313 PolarHBondContact O-N 3Å; A309-K313 VanDerWaalsContact O-N 3.07Å; E310-K313 PolarHBondContact O-N 3.08Å; K313-A315 VanDerWaalsContact C-N 3.31Å; K313-A315 PolarHBondContact O-N 2.74Å; K313-A316 PolarHBondContact O-N 3.39Å; K313-T317 VanDerWaalsContact O-CB 3.25Å; K313-T317 WeakPolarHBondContact O-CB 3.32Å; K313-T317 PolarHBondContact O-N 3.23Å; K313-T317 PolarHBondContact O-OG1 2.84Å; K313-I540 HydrophobicContact CG-CG2 4.42Å; K313-W543 HydrophobicContact CB-CE3 4.16Å; K313-W543 HydrophobicContact CB-CH2 4.38Å; K313-W543 HydrophobicContact CB-CZ3 4.11Å; K313-W543 HydrophobicContact CD-CE3 3.86Å; K313-W543 HydrophobicContact CD-CH2 4.05Å; K313-W543 HydrophobicContact CD-CZ3 3.33Å; K313-W543 HydrophobicContact CG-CD2 4.28Å; K313-W543 HydrophobicContact CG-CE3 3.48Å; K313-W543 VanDerWaalsContact CG-CE3 3.48Å; K313-W543 HydrophobicContact CG-CH2 4.19Å; K313-W543 HydrophobicContact CG-CZ3 3.46Å; K313-W543 VanDerWaalsContact CG-CZ3 3.46Å
314	D	86.4	Confident	88.2	Confident	17 Å²	17	41.3 Å²	41.3	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-40.9	176.5	-82	-3.7	0	0	0	112.2	L65 N69 F74 E310 Q318	L65-D314 HydrophobicContact CD2-CB 4.25Å; N69-D314 WeakPolarHBondContact ND2-CB 3.03Å; N69-D314 PolarHBondContact ND2-OD2 2.71Å; F74-D314 HydrophobicContact CE2-CB 4.17Å; E310-D314 WeakPolarHBondContact O-CB 3.26Å; E310-D314 PolarHBondContact O-N 2.91Å; D314-Q318 WeakPolarHBondContact O-CB 3.24Å; D314-Q318 PolarHBondContact O-N 3.28Å
315	A	91.3	Very high	88.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-47.5	174.7	0	0	0	0	0	111.8	F74 P77 M81 V311 W312 K313 Q318 I319	F74-A315 HydrophobicContact CD2-CB 4.44Å; F74-A315 HydrophobicContact CE2-CB 3.68Å; F74-A315 HydrophobicContact CZ-CB 3.93Å; P77-A315 HydrophobicContact CB-CB 3.76Å; P77-A315 HydrophobicContact CG-CB 4.18Å; M81-A315 HydrophobicContact CG-CB 4.18Å; V311-A315 WeakPolarHBondContact O-CB 3.33Å; V311-A315 PolarHBondContact O-N 2.84Å; W312-A315 PolarHBondContact O-N 2.81Å; K313-A315 VanDerWaalsContact C-N 3.31Å; K313-A315 PolarHBondContact O-N 2.74Å; A315-Q318 PolarHBondContact O-N 3.4Å; A315-I319 WeakPolarHBondContact O-CG1 3.39Å; A315-I319 PolarHBondContact O-N 3.43Å; A315-I319 VanDerWaalsContact O-N 3.07Å
316	A	86.1	Confident	88.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-54.4	179.5	0	0	0	0	0	111	M81 W312 K313 Q318 I319 F320 I540	M81-A316 HydrophobicContact CB-CB 4.43Å; M81-A316 HydrophobicContact CE-CB 4.39Å; M81-A316 HydrophobicContact CG-CB 3.84Å; M81-A316 HydrophobicContact SD-CB 3.49Å; M81-A316 WeakPolarHBondContact SD-CB 3.47Å; W312-A316 WeakPolarHBondContact O-CB 3.47Å; W312-A316 PolarHBondContact O-N 2.88Å; K313-A316 PolarHBondContact O-N 3.39Å; A316-Q318 VanDerWaalsContact C-N 3.25Å; A316-Q318 PolarHBondContact O-N 3.44Å; A316-I319 WeakPolarHBondContact O-CB 3.33Å; A316-I319 PolarHBondContact O-N 3.01Å; A316-F320 WeakPolarHBondContact O-CD2 3.37Å; A316-F320 PolarHBondContact O-N 3.23Å; A316-I540 HydrophobicContact CB-CD1 3.22Å; A316-I540 HydrophobicContact CB-CG1 4.17Å
317	T	83.2	Confident	88.2	Confident	25 Å²	25	33.5 Å²	33.5	15%	0.153	16%	0.155	C	C	.	.	H	α-helix	trans	-53.4	-43.3	177.9	-63.5	0	0	0	0	111.3	K313 I319 F320 Y321	K313-T317 VanDerWaalsContact O-CB 3.25Å; K313-T317 WeakPolarHBondContact O-CB 3.32Å; K313-T317 PolarHBondContact O-N 3.23Å; K313-T317 PolarHBondContact O-OG1 2.84Å; T317-I319 PolarHBondContact O-N 3.07Å; T317-F320 PolarHBondContact O-N 3.27Å; T317-Y321 HydrophobicContact CG2-CD2 3.5Å; T317-Y321 HydrophobicContact CG2-CE2 3.2Å; T317-Y321 WeakPolarHBondContact O-CD2 3.39Å; T317-Y321 PolarHBondContact O-N 3.19Å
318	Q	90.2	Very high	88.4	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-62.5	-41	175.5	-179.1	58	28.4	0	0	113	F62 L65 Y78 D314 A315 A316 S322	F62-Q318 HydrophobicContact CD2-CG 4.1Å; L65-Q318 HydrophobicContact CD1-CB 3.73Å; L65-Q318 HydrophobicContact CD1-CG 3.97Å; Y78-Q318 HydrophobicContact CD2-CG 4.45Å; Y78-Q318 HydrophobicContact CE2-CG 3.93Å; D314-Q318 WeakPolarHBondContact O-CB 3.24Å; D314-Q318 PolarHBondContact O-N 3.28Å; A315-Q318 PolarHBondContact O-N 3.4Å; A316-Q318 VanDerWaalsContact C-N 3.25Å; A316-Q318 PolarHBondContact O-N 3.44Å; Q318-S322 WeakPolarHBondContact O-CB 3.49Å; Q318-S322 PolarHBondContact O-N 2.83Å
319	I	91.8	Very high	88.8	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.8	-45.3	176	-73.6	-68.3	0	0	0	111.2	Y78 M81 L82 A315 A316 T317 S322 L323	Y78-I319 HydrophobicContact CD1-CD1 4.49Å; Y78-I319 HydrophobicContact CD2-CD1 3.6Å; Y78-I319 HydrophobicContact CD2-CG1 3.71Å; Y78-I319 HydrophobicContact CE1-CD1 4.16Å; Y78-I319 HydrophobicContact CE2-CD1 3.16Å; Y78-I319 HydrophobicContact CE2-CG1 3.64Å; Y78-I319 HydrophobicContact CG-CD1 4.25Å; Y78-I319 VanDerWaalsContact CZ-CD1 3.49Å; M81-I319 HydrophobicContact CB-CB 4.5Å; M81-I319 HydrophobicContact CB-CG1 4.02Å; L82-I319 HydrophobicContact CB-CD1 3.75Å; L82-I319 HydrophobicContact CB-CG1 4.47Å; L82-I319 HydrophobicContact CD1-CD1 4.09Å; L82-I319 HydrophobicContact CG-CD1 4.47Å; A315-I319 WeakPolarHBondContact O-CG1 3.39Å; A315-I319 PolarHBondContact O-N 3.43Å; A315-I319 VanDerWaalsContact O-N 3.07Å; A316-I319 WeakPolarHBondContact O-CB 3.33Å; A316-I319 PolarHBondContact O-N 3.01Å; T317-I319 PolarHBondContact O-N 3.07Å; I319-S322 PolarHBondContact O-N 3.04Å; I319-L323 HydrophobicContact CG2-CD1 3.9Å; I319-L323 WeakPolarHBondContact O-CB 3.46Å; I319-L323 WeakPolarHBondContact O-CG 3.47Å; I319-L323 PolarHBondContact O-N 3.49Å
320	F	83.8	Confident	89.6	Confident	5 Å²	5	16.7 Å²	16.7	2%	0.022	8%	0.076	C	C	.	.	H	α-helix	trans	-61.3	-47.5	178.7	-84.4	-81.6	0	0	0	112.4	A85 L89 A316 T317 S324 V325 A490 L537	A85-F320 HydrophobicContact CB-CE2 3.95Å; A85-F320 HydrophobicContact CB-CZ 3.92Å; L89-F320 HydrophobicContact CD1-CE1 3.35Å; L89-F320 HydrophobicContact CD1-CZ 3.63Å; A316-F320 WeakPolarHBondContact O-CD2 3.37Å; A316-F320 PolarHBondContact O-N 3.23Å; T317-F320 PolarHBondContact O-N 3.27Å; F320-S324 PolarHBondContact O-N 3.06Å; F320-V325 HydrophobicContact CD1-CB 4.3Å; F320-V325 HydrophobicContact CD1-CG1 4.16Å; F320-V325 HydrophobicContact CE1-CG1 4.09Å; F320-V325 PolarHBondContact O-N 3.07Å; F320-A490 HydrophobicContact CE1-CB 4.46Å; F320-L537 HydrophobicContact CD1-CD2 4.43Å; F320-L537 HydrophobicContact CE1-CD2 3.51Å; F320-L537 HydrophobicContact CE1-CG 4.47Å; F320-L537 HydrophobicContact CE2-CD2 3.73Å; F320-L537 HydrophobicContact CZ-CD1 4.49Å; F320-L537 HydrophobicContact CZ-CD2 3.12Å; F320-L537 HydrophobicContact CZ-CG 3.93Å
321	Y	83.1	Confident	90.3	Very high	47 Å²	47	12.2 Å²	12.2	18%	0.184	6%	0.055	C	C	.	.	H	α-helix	trans	-64.2	-46.6	176.1	-77.6	-59.1	0	0	0	112.5	T317 L323 S324 W327 A482 G483	T317-Y321 HydrophobicContact CG2-CD2 3.5Å; T317-Y321 HydrophobicContact CG2-CE2 3.2Å; T317-Y321 WeakPolarHBondContact O-CD2 3.39Å; T317-Y321 PolarHBondContact O-N 3.19Å; Y321-L323 PolarHBondContact O-N 3.38Å; Y321-S324 PolarHBondContact O-N 3.48Å; Y321-W327 AromaticContact CD1-CZ2 3.81Å; Y321-W327 HydrophobicContact CD1-CZ2 3.81Å; Y321-W327 AromaticContact CE1-CZ2 3.94Å; Y321-W327 HydrophobicContact CE1-CZ2 3.94Å; Y321-A482 HydrophobicContact CE1-CB 3.87Å; Y321-A482 WeakPolarHBondContact CE1-O 3.42Å; Y321-A482 PolarHBondContact OH-O 2.87Å; Y321-G483 WeakPolarHBondContact OH-CA 3.38Å; Y321-G483 PolarHBondContact OH-N 3.46Å
322	S	91.4	Very high	90.6	Very high	7 Å²	7	12.2 Å²	12.2	5%	0.049	6%	0.055	C	C	.	.	H	α-helix	trans	-69.5	-33.5	-174	-173.6	0	0	0	0	112.5	A53 N58 Q318 I319 S324 N354	A53-S322 CarbonylContact C-O 3.04Å; A53-S322 WeakPolarHBondContact CA-O 3.02Å; N58-S322 PolarHBondContact ND2-OG 3.21Å; Q318-S322 WeakPolarHBondContact O-CB 3.49Å; Q318-S322 PolarHBondContact O-N 2.83Å; I319-S322 PolarHBondContact O-N 3.04Å; S322-S324 VanDerWaalsContact C-N 3.34Å; S322-N354 PolarHBondContact OG-ND2 3.19Å; S322-N354 PolarHBondContact OG-OD1 3.14Å; S322-N354 VanDerWaalsContact OG-OD1 3.1Å
323	L	93.6	Very high	91.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-86.6	-6.8	177.2	-66.3	178	0	0	0	113.5	L82 F90 I319 Y321 V325 C351 N354	L82-L323 HydrophobicContact CD1-CD1 3.83Å; F90-L323 HydrophobicContact CD2-CB 4.08Å; F90-L323 HydrophobicContact CD2-CD2 4.43Å; I319-L323 HydrophobicContact CG2-CD1 3.9Å; I319-L323 WeakPolarHBondContact O-CB 3.46Å; I319-L323 WeakPolarHBondContact O-CG 3.47Å; I319-L323 PolarHBondContact O-N 3.49Å; Y321-L323 PolarHBondContact O-N 3.38Å; L323-V325 HydrophobicContact CB-CG2 3.8Å; L323-V325 PolarHBondContact O-N 3.09Å; L323-C351 HydrophobicContact CD2-CB 4.27Å; L323-N354 HydrophobicContact CD2-CB 4.11Å; L323-N354 WeakPolarHBondContact CD2-ND2 3.11Å
324	S	92.2	Very high	91.8	Very high	15 Å²	15	6.5 Å²	6.5	11%	0.105	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	40.9	-174	-62.4	0	0	0	0	113.4	Y52 F320 Y321 S322 W327	Y52-S324 WeakPolarHBondContact OH-CB 3.27Å; F320-S324 PolarHBondContact O-N 3.06Å; Y321-S324 PolarHBondContact O-N 3.48Å; S322-S324 VanDerWaalsContact C-N 3.34Å; S324-W327 VanDerWaalsContact CA-CD1 3.44Å; S324-W327 VanDerWaalsContact O-CD1 3.25Å
325	V	92.6	Very high	92.3	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	134.7	175.3	167.7	0	0	0	0	110.6	L89 F90 E93 F320 L323 L330 I486	L89-V325 HydrophobicContact CB-CG1 3.38Å; L89-V325 HydrophobicContact CB-CG2 4.39Å; L89-V325 HydrophobicContact CD1-CG1 3.78Å; L89-V325 HydrophobicContact CG-CG1 4.17Å; F90-V325 HydrophobicContact CB-CG2 4.15Å; F90-V325 HydrophobicContact CD2-CG2 4.21Å; E93-V325 WeakPolarHBondContact OE1-CG1 3.27Å; F320-V325 HydrophobicContact CD1-CB 4.3Å; F320-V325 HydrophobicContact CD1-CG1 4.16Å; F320-V325 HydrophobicContact CE1-CG1 4.09Å; F320-V325 PolarHBondContact O-N 3.07Å; L323-V325 HydrophobicContact CB-CG2 3.8Å; L323-V325 PolarHBondContact O-N 3.09Å; V325-L330 HydrophobicContact CG2-CD1 4Å; V325-I486 WeakPolarHBondContact O-CG2 3.35Å
326	A	92.3	Very high	92.6	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	27.5	-175.6	0	0	0	0	0	114.7	E93 M121 I486 A489 A490	E93-A326 WeakPolarHBondContact OE1-CA 3.33Å; E93-A326 PolarHBondContact OE1-N 3.15Å; M121-A326 HydrophobicContact CE-CB 4.19Å; M121-A326 WeakPolarHBondContact CG-O 3.33Å; A326-I486 HydrophobicContact CB-CG2 4.11Å; A326-A489 HydrophobicContact CB-CB 4.37Å; A326-A490 HydrophobicContact CB-CB 3.64Å
327	W	92.4	Very high	93.1	Very high	14 Å²	14	6 Å²	6	5%	0.053	3%	0.031	C	C	.	.	S	Bend	trans	-97.8	-12.3	173.3	-66.5	70.3	0	0	0	112.5	Y52 I124 S125 V128 Y321 S324 G329 A482 I486	Y52-W327 WeakPolarHBondContact OH-CB 3.46Å; I124-W327 HydrophobicContact CG2-CE3 4.4Å; I124-W327 HydrophobicContact CG2-CZ3 4.21Å; S125-W327 PolarHBondContact OG-O 3.27Å; V128-W327 HydrophobicContact CB-CH2 4.27Å; V128-W327 HydrophobicContact CB-CZ3 3.66Å; V128-W327 HydrophobicContact CG1-CH2 4.05Å; V128-W327 HydrophobicContact CG1-CZ3 3.65Å; V128-W327 HydrophobicContact CG2-CH2 3.71Å; V128-W327 HydrophobicContact CG2-CZ3 3.44Å; V128-W327 VanDerWaalsContact CG2-CZ3 3.44Å; Y321-W327 AromaticContact CD1-CZ2 3.81Å; Y321-W327 HydrophobicContact CD1-CZ2 3.81Å; Y321-W327 AromaticContact CE1-CZ2 3.94Å; Y321-W327 HydrophobicContact CE1-CZ2 3.94Å; S324-W327 VanDerWaalsContact CA-CD1 3.44Å; S324-W327 VanDerWaalsContact O-CD1 3.25Å; W327-G329 PolarHBondContact O-N 3.41Å; W327-A482 HydrophobicContact CH2-CB 3.99Å; W327-I486 HydrophobicContact CD2-CD1 3.92Å; W327-I486 HydrophobicContact CD2-CG1 4.21Å; W327-I486 HydrophobicContact CE3-CD1 4.23Å; W327-I486 HydrophobicContact CH2-CD1 3.55Å; W327-I486 HydrophobicContact CZ2-CD1 3.14Å; W327-I486 HydrophobicContact CZ2-CG1 4.19Å; W327-I486 HydrophobicContact CZ3-CD1 4.07Å
328	G	94.6	Very high	93.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.043	C	C	.	.	S	Bend	trans	81.2	-11.6	-175.8	0	0	0	0	0	114.4	V331 A332	G328-V331 PolarHBondContact O-N 2.88Å; G328-A332 WeakPolarHBondContact O-CB 3.42Å; G328-A332 PolarHBondContact O-N 3.36Å
329	G	95.9	Very high	93.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-68.3	-36.7	176.5	0	0	0	0	0	113.7	W327 A332 L333 T430	W327-G329 PolarHBondContact O-N 3.41Å; G329-A332 PolarHBondContact O-N 2.9Å; G329-L333 WeakPolarHBondContact O-CB 3.41Å; G329-L333 WeakPolarHBondContact O-CG 3.43Å; G329-L333 PolarHBondContact O-N 3.43Å; G329-T430 WeakPolarHBondContact CA-OG1 3.48Å
330	L	97.6	Very high	94.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.8	-43.2	175.3	-57.9	178.3	0	0	0	111.3	M49 Y52 F90 E93 V325 S334	M49-L330 HydrophobicContact CE-CB 4.45Å; M49-L330 HydrophobicContact CE-CD2 3.45Å; M49-L330 VanDerWaalsContact CE-CD2 3.45Å; M49-L330 HydrophobicContact SD-CD2 4.43Å; Y52-L330 HydrophobicContact CD1-CD2 3.77Å; Y52-L330 HydrophobicContact CE1-CD2 3.81Å; Y52-L330 HydrophobicContact CE1-CG 4.14Å; F90-L330 HydrophobicContact CD2-CD1 3.45Å; F90-L330 VanDerWaalsContact CD2-CD1 3.45Å; F90-L330 HydrophobicContact CD2-CD2 4.01Å; F90-L330 HydrophobicContact CD2-CG 4.4Å; F90-L330 HydrophobicContact CE2-CD1 3.74Å; F90-L330 HydrophobicContact CE2-CD2 3.36Å; F90-L330 HydrophobicContact CE2-CG 4.21Å; F90-L330 HydrophobicContact CG-CD1 4.06Å; F90-L330 HydrophobicContact CZ-CD2 3.72Å; E93-L330 HydrophobicContact CB-CB 4.01Å; E93-L330 HydrophobicContact CB-CD1 4.34Å; V325-L330 HydrophobicContact CG2-CD1 4Å; L330-S334 WeakPolarHBondContact O-CB 3.26Å; L330-S334 PolarHBondContact O-N 3.27Å; L330-S334 PolarHBondContact O-OG 3.34Å
331	V	97.6	Very high	94.6	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-48.7	173.9	179.5	0	0	0	0	110.2	E93 V107 G328 S334 S335	E93-V331 HydrophobicContact CB-CG2 3.99Å; E93-V331 HydrophobicContact CG-CG2 3.92Å; V107-V331 HydrophobicContact CB-CG1 4.26Å; V107-V331 HydrophobicContact CG1-CG1 4.05Å; V107-V331 HydrophobicContact CG2-CG1 4.46Å; G328-V331 PolarHBondContact O-N 2.88Å; V331-S334 PolarHBondContact O-N 2.87Å; V331-S335 WeakPolarHBondContact O-CB 3.22Å; V331-S335 PolarHBondContact O-N 3.01Å
332	A	97.1	Very high	95.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-59.8	-52.8	179.8	0	0	0	0	0	112.1	G328 G329 S334 S335 Y336 T430 T433	G328-A332 WeakPolarHBondContact O-CB 3.42Å; G328-A332 PolarHBondContact O-N 3.36Å; G329-A332 PolarHBondContact O-N 2.9Å; A332-S334 PolarHBondContact O-N 3.02Å; A332-S335 WeakPolarHBondContact O-CB 3.45Å; A332-S335 PolarHBondContact O-N 3.05Å; A332-S335 PolarHBondContact O-OG 3.49Å; A332-Y336 WeakPolarHBondContact O-CD2 3.36Å; A332-Y336 WeakPolarHBondContact O-CE2 3.49Å; A332-T430 HydrophobicContact CB-CG2 4.48Å; A332-T433 HydrophobicContact CB-CG2 4.23Å
333	L	97.7	Very high	95.5	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.026	8%	0.083	C	C	.	.	H	α-helix	trans	-65.1	-39.4	-178.7	-66.2	174.9	0	0	0	112.2	W39 M49 Y52 G329 S335 Y336 A426 E429	W39-L333 HydrophobicContact CH2-CD2 4.08Å; W39-L333 HydrophobicContact CZ2-CB 4.33Å; W39-L333 HydrophobicContact CZ2-CD2 3.78Å; W39-L333 PolarHBondContact NE1-O 3.35Å; M49-L333 HydrophobicContact SD-CB 3.64Å; M49-L333 HydrophobicContact SD-CD1 3.69Å; M49-L333 HydrophobicContact SD-CG 4.34Å; Y52-L333 HydrophobicContact CD1-CD1 4.01Å; Y52-L333 HydrophobicContact CG-CD1 4.24Å; G329-L333 WeakPolarHBondContact O-CB 3.41Å; G329-L333 WeakPolarHBondContact O-CG 3.43Å; G329-L333 PolarHBondContact O-N 3.43Å; L333-S335 VanDerWaalsContact C-N 3.29Å; L333-S335 PolarHBondContact O-N 3.48Å; L333-Y336 PolarHBondContact O-N 3.42Å; L333-A426 HydrophobicContact CD1-CB 3.89Å; L333-E429 HydrophobicContact CD2-CB 4.5Å; L333-E429 HydrophobicContact CD2-CG 4.33Å
334	S	97.8	Very high	95.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-72.7	-23.6	180	-54.9	0	0	0	0	112.7	Y45 C94 Q98 L330 V331 A332 Y336 N337	Y45-S334 PolarHBondContact OH-OG 3.43Å; C94-S334 WeakPolarHBondContact CA-OG 3.39Å; C94-S334 WeakPolarHBondContact O-CB 3.41Å; Q98-S334 WeakPolarHBondContact CA-O 3.25Å; L330-S334 WeakPolarHBondContact O-CB 3.26Å; L330-S334 PolarHBondContact O-N 3.27Å; L330-S334 PolarHBondContact O-OG 3.34Å; V331-S334 PolarHBondContact O-N 2.87Å; A332-S334 PolarHBondContact O-N 3.02Å; S334-Y336 PolarHBondContact O-N 3.16Å; S334-Y336 VanDerWaalsContact O-N 3.12Å; S334-N337 VanDerWaalsContact O-CB 3.29Å; S334-N337 WeakPolarHBondContact O-CB 3.45Å; S334-N337 PolarHBondContact O-N 3.13Å
335	S	97.1	Very high	95.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.9	176.8	76.8	0	0	0	0	114.9	R36 G97 L102 V331 A332 L333	R36-S335 WeakPolarHBondContact CD-O 3.28Å; R36-S335 PolarHBondContact NE-O 3.32Å; R36-S335 PolarHBondContact NE-OG 3.31Å; R36-S335 PolarHBondContact NH2-OG 3.14Å; G97-S335 VanDerWaalsContact O-CA 3.31Å; G97-S335 WeakPolarHBondContact O-CA 3.12Å; L102-S335 WeakPolarHBondContact O-CB 3.33Å; V331-S335 WeakPolarHBondContact O-CB 3.22Å; V331-S335 PolarHBondContact O-N 3.01Å; A332-S335 WeakPolarHBondContact O-CB 3.45Å; A332-S335 PolarHBondContact O-N 3.05Å; A332-S335 PolarHBondContact O-OG 3.49Å; L333-S335 VanDerWaalsContact C-N 3.29Å; L333-S335 PolarHBondContact O-N 3.48Å
336	Y	96.4	Very high	96.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-1.8	176.9	-64.2	-78.8	0	0	0	113.1	R36 N38 W39 I258 A332 L333 S334 E429 T433	R36-Y336 HydrophobicContact CG-CD1 3.74Å; R36-Y336 HydrophobicContact CG-CE1 3.5Å; R36-Y336 WeakPolarHBondContact O-CE1 3.46Å; N38-Y336 WeakPolarHBondContact CA-O 3.18Å; N38-Y336 WeakPolarHBondContact CB-O 3.45Å; N38-Y336 PolarHBondContact ND2-O 3.47Å; W39-Y336 PolarHBondContact N-O 2.95Å; W39-Y336 VanDerWaalsContact N-O 3.1Å; I258-Y336 HydrophobicContact CD1-CD1 3.41Å; I258-Y336 VanDerWaalsContact CD1-CD1 3.41Å; I258-Y336 HydrophobicContact CD1-CD2 4.2Å; I258-Y336 HydrophobicContact CD1-CE1 4.11Å; I258-Y336 HydrophobicContact CD1-CG 3.47Å; I258-Y336 VanDerWaalsContact CD1-CG 3.47Å; I258-Y336 HydrophobicContact CG1-CD1 4.26Å; I258-Y336 HydrophobicContact CG1-CG 4.44Å; I258-Y336 HydrophobicContact CG2-CD2 3.85Å; I258-Y336 HydrophobicContact CG2-CE2 3.95Å; I258-Y336 HydrophobicContact CG2-CG 4.25Å; A332-Y336 WeakPolarHBondContact O-CD2 3.36Å; A332-Y336 WeakPolarHBondContact O-CE2 3.49Å; L333-Y336 PolarHBondContact O-N 3.42Å; S334-Y336 PolarHBondContact O-N 3.16Å; S334-Y336 VanDerWaalsContact O-N 3.12Å; Y336-E429 HydrophobicContact CE2-CG 4.23Å; Y336-E429 PolarHBondContact OH-OE1 3.36Å; Y336-E429 VanDerWaalsContact OH-OE1 3.14Å; Y336-T433 HydrophobicContact CE2-CG2 4.31Å; Y336-T433 PolarHBondContact OH-OG1 3.04Å; Y336-T433 VanDerWaalsContact OH-OG1 3.05Å
337	N	96.9	Very high	96.4	Very high	7 Å²	7	21.4 Å²	21.4	4%	0.037	10%	0.104	C	C	.	.	S	Bend	trans	-68.4	154.4	174.4	-76.4	-16.2	0	0	0	111.6	N38 Y45 Q98 S334 N341	N38-N337 PolarHBondContact ND2-O 2.94Å; Y45-N337 WeakPolarHBondContact CD1-OD1 3.46Å; Y45-N337 VanDerWaalsContact CD2-OD1 3.3Å; Y45-N337 WeakPolarHBondContact CD2-OD1 3.2Å; Y45-N337 WeakPolarHBondContact CE1-ND2 3.41Å; Y45-N337 PolarHBondContact OH-ND2 2.96Å; Q98-N337 HydrophobicContact CB-CB 4.41Å; Q98-N337 HydrophobicContact CG-CB 3.8Å; Q98-N337 PolarHBondContact OE1-ND2 2.95Å; Q98-N337 VanDerWaalsContact OE1-ND2 3.08Å; S334-N337 VanDerWaalsContact O-CB 3.29Å; S334-N337 WeakPolarHBondContact O-CB 3.45Å; S334-N337 PolarHBondContact O-N 3.13Å; N337-N341 HydrophobicContact CB-CB 4.34Å; N337-N341 PolarHBondContact ND2-ND2 3.25Å
338	K	95.1	Very high	96.6	Very high	94 Å²	94	23.2 Å²	23.2	41%	0.409	11%	0.114	S	C	.	.			trans	-65.4	145.4	165.3	-65.2	-176.5	167.3	-147.9	0	109.6	E32 K340 N341	E32-K338 VanDerWaalsContact OE1-CD 3.27Å; E32-K338 WeakPolarHBondContact OE1-CD 3.37Å; E32-K338 WeakPolarHBondContact OE1-CG 2.92Å; E32-K338 IonicContact OE1-NZ 2.74Å; K338-K340 VanDerWaalsContact C-N 3.27Å; K338-K340 PolarHBondContact O-N 3.34Å; K338-N341 VanDerWaalsContact O-CB 3.27Å; K338-N341 WeakPolarHBondContact O-CB 3.41Å; K338-N341 PolarHBondContact O-N 3.32Å
339	F	95.1	Very high	96.8	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.031	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-36.9	-171.4	-174.4	-100.8	0	0	0	113.1	Q98 F99 N341 M512 M513 P608 H613	Q98-F339 PolarHBondContact NE2-O 3.46Å; Q98-F339 VanDerWaalsContact NE2-O 3.1Å; F99-F339 AromaticContact CD2-CE2 3.89Å; F99-F339 HydrophobicContact CD2-CE2 3.89Å; F99-F339 HydrophobicContact CD2-CZ 4.1Å; F99-F339 HydrophobicContact CE2-CE2 4.33Å; F99-F339 HydrophobicContact CE2-CZ 4.25Å; F339-N341 VanDerWaalsContact C-N 3.34Å; F339-N341 PolarHBondContact O-N 3.45Å; F339-M512 HydrophobicContact CE1-CB 4.39Å; F339-M512 WeakPolarHBondContact CE1-O 3.16Å; F339-M512 HydrophobicContact CZ-CB 4.21Å; F339-M512 HydrophobicContact CZ-CE 4.49Å; F339-M513 HydrophobicContact CD1-CG 4.44Å; F339-M513 HydrophobicContact CD2-CG 4.26Å; F339-M513 HydrophobicContact CE1-CG 4.09Å; F339-M513 HydrophobicContact CE2-CG 3.91Å; F339-M513 HydrophobicContact CZ-CG 3.81Å; F339-M513 WeakPolarHBondContact O-CB 3.21Å; F339-M513 WeakPolarHBondContact O-CG 3.29Å; F339-P608 HydrophobicContact CD2-CB 4.42Å; F339-P608 HydrophobicContact CE2-CB 3.77Å; F339-P608 HydrophobicContact CE2-CG 3.78Å; F339-P608 HydrophobicContact CZ-CB 4.29Å; F339-P608 HydrophobicContact CZ-CG 3.94Å; F339-H613 VanDerWaalsContact CB-CD2 3.43Å; F339-H613 WeakPolarHBondContact CB-CD2 3.03Å; F339-H613 WeakPolarHBondContact CB-NE2 3.41Å; F339-H613 HydrophobicContact CD1-CB 3.86Å; F339-H613 AromaticContact CD1-CG 3.61Å; F339-H613 AromaticContact CD1-ND1 3.7Å; F339-H613 HydrophobicContact CD2-CB 4Å; F339-H613 HydrophobicContact CE1-CB 3.89Å; F339-H613 HydrophobicContact CE2-CB 4.03Å; F339-H613 HydrophobicContact CG-CB 3.91Å; F339-H613 AromaticContact CG-CD2 3.6Å; F339-H613 AromaticContact CG-CG 3.54Å; F339-H613 AromaticContact CG-ND1 3.96Å; F339-H613 HydrophobicContact CZ-CB 3.98Å
340	K	95	Very high	96.9	Very high	140 Å²	140	26.3 Å²	26.3	61%	0.609	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	10.8	-180	-64.8	-63.9	-170.5	176	0	114.5	K338 M512 M513	K338-K340 VanDerWaalsContact C-N 3.27Å; K338-K340 PolarHBondContact O-N 3.34Å; K340-M512 PolarHBondContact NZ-O 2.99Å; K340-M513 WeakPolarHBondContact CD-O 3.29Å
341	N	96.1	Very high	96.9	Very high	24 Å²	24	26.4 Å²	26.4	13%	0.128	13%	0.134	C	C	.	.	S	Bend	trans	-65.4	144.4	175.7	178.2	59.6	0	0	0	111.2	Q98 N337 K338 F339 C343 D346	Q98-N341 PolarHBondContact NE2-O 3.36Å; Q98-N341 PolarHBondContact OE1-ND2 2.97Å; N337-N341 HydrophobicContact CB-CB 4.34Å; N337-N341 PolarHBondContact ND2-ND2 3.25Å; K338-N341 VanDerWaalsContact O-CB 3.27Å; K338-N341 WeakPolarHBondContact O-CB 3.41Å; K338-N341 PolarHBondContact O-N 3.32Å; F339-N341 VanDerWaalsContact C-N 3.34Å; F339-N341 PolarHBondContact O-N 3.45Å; N341-C343 VanDerWaalsContact C-N 3.35Å; N341-C343 PolarHBondContact O-N 2.92Å; N341-D346 PolarHBondContact ND2-OD2 2.86Å; N341-D346 PolarHBondContact OD1-OD2 3.5Å
342	N	96.7	Very high	96.9	Very high	63 Å²	63	30.7 Å²	30.7	34%	0.337	16%	0.156	S	C	.	.			trans	-82.1	78.8	-179.7	-172.6	-7.8	0	0	0	111.3	F344 S345 D346	N342-F344 PolarHBondContact O-N 3.33Å; N342-F344 PolarHBondContact OD1-N 3.08Å; N342-S345 PolarHBondContact O-N 2.94Å; N342-S345 PolarHBondContact OD1-N 3.13Å; N342-D346 VanDerWaalsContact O-CG 3.24Å; N342-D346 PolarHBondContact O-N 3.44Å
343	C	96.2	Very high	96.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-26.4	-180	57.9	0	0	0	0	113.7	S95 N341 A347	S95-C343 PolarHBondContact OG-SG 3.15Å; S95-C343 VanDerWaalsContact OG-SG 3.39Å; N341-C343 VanDerWaalsContact C-N 3.35Å; N341-C343 PolarHBondContact O-N 2.92Å; C343-A347 WeakPolarHBondContact O-CB 3.24Å; C343-A347 PolarHBondContact O-N 3.38Å
344	F	96.8	Very high	96.8	Very high	44 Å²	44	32.4 Å²	32.4	19%	0.193	17%	0.166	C	C	.	.	H	α-helix	trans	-65.9	-50.5	176.8	167.6	-96.2	0	0	0	112	F91 N342 D346 A347 I348 I514 F521 W525	F91-F344 HydrophobicContact CD2-CB 4.31Å; F91-F344 HydrophobicContact CE1-CD2 4.26Å; F91-F344 HydrophobicContact CE2-CB 3.58Å; F91-F344 HydrophobicContact CE2-CD2 4.25Å; F91-F344 HydrophobicContact CE2-CG 4.44Å; F91-F344 HydrophobicContact CZ-CB 3.88Å; F91-F344 HydrophobicContact CZ-CD2 4.04Å; F91-F344 HydrophobicContact CZ-CG 4.47Å; N342-F344 PolarHBondContact O-N 3.33Å; N342-F344 PolarHBondContact OD1-N 3.08Å; F344-D346 PolarHBondContact O-N 2.94Å; F344-A347 PolarHBondContact O-N 2.94Å; F344-I348 HydrophobicContact CD1-CD1 4.24Å; F344-I348 HydrophobicContact CD2-CD1 4.42Å; F344-I348 HydrophobicContact CE1-CD1 3.55Å; F344-I348 HydrophobicContact CE2-CD1 3.81Å; F344-I348 HydrophobicContact CZ-CD1 3.29Å; F344-I348 HydrophobicContact CZ-CG1 4.48Å; F344-I348 PolarHBondContact O-N 3.41Å; F344-I514 HydrophobicContact CB-CD1 4.03Å; F344-F521 HydrophobicContact CD1-CE2 4.41Å; F344-F521 HydrophobicContact CD1-CZ 4.45Å; F344-F521 HydrophobicContact CD2-CE2 4.03Å; F344-F521 AromaticContact CD2-CZ 3.59Å; F344-F521 HydrophobicContact CD2-CZ 3.59Å; F344-F521 AromaticContact CE1-CE2 3.95Å; F344-F521 HydrophobicContact CE1-CE2 3.95Å; F344-F521 HydrophobicContact CE1-CZ 4.4Å; F344-F521 AromaticContact CE2-CE2 3.45Å; F344-F521 HydrophobicContact CE2-CE2 3.45Å; F344-F521 VanDerWaalsContact CE2-CE2 3.45Å; F344-F521 AromaticContact CE2-CZ 3.45Å; F344-F521 HydrophobicContact CE2-CZ 3.45Å; F344-F521 VanDerWaalsContact CE2-CZ 3.45Å; F344-F521 HydrophobicContact CG-CE2 4.45Å; F344-F521 HydrophobicContact CG-CZ 4.08Å; F344-F521 AromaticContact CZ-CE2 3.44Å; F344-F521 HydrophobicContact CZ-CE2 3.44Å; F344-F521 VanDerWaalsContact CZ-CE2 3.44Å; F344-F521 AromaticContact CZ-CZ 3.92Å; F344-F521 HydrophobicContact CZ-CZ 3.92Å; F344-W525 AromaticContact CD2-CZ2 3.96Å; F344-W525 HydrophobicContact CD2-CZ2 3.96Å; F344-W525 AromaticContact CE2-CE2 3.88Å; F344-W525 HydrophobicContact CE2-CH2 4.35Å; F344-W525 AromaticContact CE2-CZ2 3.42Å; F344-W525 HydrophobicContact CE2-CZ2 3.42Å; F344-W525 VanDerWaalsContact CE2-CZ2 3.42Å; F344-W525 AromaticContact CE2-NE1 3.89Å; F344-W525 HydrophobicContact CZ-CZ2 4.49Å
345	S	96.8	Very high	96.7	Very high	47 Å²	47	32.9 Å²	32.9	33%	0.329	17%	0.17	S	C	.	.	H	α-helix	trans	-62.9	-38.5	178.3	-173.6	0	0	0	0	110.9	N342 I348 V349	N342-S345 PolarHBondContact O-N 2.94Å; N342-S345 PolarHBondContact OD1-N 3.13Å; S345-I348 PolarHBondContact O-N 3.39Å; S345-V349 VanDerWaalsContact O-CG2 3.32Å; S345-V349 WeakPolarHBondContact O-CG2 3.32Å; S345-V349 PolarHBondContact O-N 3.45Å
346	D	97.6	Very high	96.7	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-43.7	-179.1	-62	-8.9	0	0	0	110.6	K42 Y45 L46 N341 N342 F344 I348 V349 V350	K42-D346 WeakPolarHBondContact CE-OD1 3.46Å; K42-D346 WeakPolarHBondContact CE-OD2 3.4Å; K42-D346 IonicContact NZ-OD1 3.08Å; K42-D346 PolarHBondContact NZ-OD1 3.31Å; K42-D346 IonicContact NZ-OD2 3.9Å; Y45-D346 HydrophobicContact CE1-CB 4.05Å; L46-D346 HydrophobicContact CD2-CB 3.73Å; N341-D346 PolarHBondContact ND2-OD2 2.86Å; N341-D346 PolarHBondContact OD1-OD2 3.5Å; N342-D346 VanDerWaalsContact O-CG 3.24Å; N342-D346 PolarHBondContact O-N 3.44Å; F344-D346 PolarHBondContact O-N 2.94Å; D346-I348 PolarHBondContact O-N 3.19Å; D346-V349 PolarHBondContact O-N 2.91Å; D346-V350 VanDerWaalsContact O-CG2 3.25Å; D346-V350 WeakPolarHBondContact O-CG2 3.15Å; D346-V350 PolarHBondContact O-N 3.18Å
347	A	97.6	Very high	96.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-57.3	-45.8	175.3	0	0	0	0	0	112.6	L87 F90 F91 C343 F344 C351	L87-A347 HydrophobicContact CD1-CB 4.45Å; F90-A347 HydrophobicContact CD1-CB 3.78Å; F90-A347 HydrophobicContact CE1-CB 4.23Å; F91-A347 HydrophobicContact CB-CB 4.05Å; F91-A347 HydrophobicContact CD2-CB 4.15Å; C343-A347 WeakPolarHBondContact O-CB 3.24Å; C343-A347 PolarHBondContact O-N 3.38Å; F344-A347 PolarHBondContact O-N 2.94Å; A347-C351 VanDerWaalsContact O-CB 3.23Å; A347-C351 WeakPolarHBondContact O-CB 3.32Å; A347-C351 PolarHBondContact O-N 3.39Å; A347-C351 PolarHBondContact O-SG 3.25Å
348	I	97.5	Very high	96.7	Very high	51 Å²	51	38.5 Å²	38.5	26%	0.262	20%	0.2	S	C	.	.	H	α-helix	trans	-62.8	-49.5	177.8	-68.7	176.5	0	0	0	110.9	L87 F344 S345 D346 V350 C351 L352	L87-I348 HydrophobicContact CD1-CG1 4.21Å; L87-I348 HydrophobicContact CD2-CG1 4.46Å; F344-I348 HydrophobicContact CD1-CD1 4.24Å; F344-I348 HydrophobicContact CD2-CD1 4.42Å; F344-I348 HydrophobicContact CE1-CD1 3.55Å; F344-I348 HydrophobicContact CE2-CD1 3.81Å; F344-I348 HydrophobicContact CZ-CD1 3.29Å; F344-I348 HydrophobicContact CZ-CG1 4.48Å; F344-I348 PolarHBondContact O-N 3.41Å; S345-I348 PolarHBondContact O-N 3.39Å; D346-I348 PolarHBondContact O-N 3.19Å; I348-V350 PolarHBondContact O-N 3.13Å; I348-C351 PolarHBondContact O-N 2.7Å; I348-L352 HydrophobicContact CG2-CD1 3.69Å; I348-L352 HydrophobicContact CG2-CG 4.28Å; I348-L352 WeakPolarHBondContact O-CB 3.35Å; I348-L352 VanDerWaalsContact O-CG 3.32Å; I348-L352 WeakPolarHBondContact O-CG 3.46Å; I348-L352 PolarHBondContact O-N 3.09Å
349	V	97.9	Very high	96.7	Very high	65 Å²	65	35.6 Å²	35.6	39%	0.394	19%	0.19	S	C	.	.	H	α-helix	trans	-61	-46.5	-177.4	169.1	0	0	0	0	110.8	S345 D346 T353	S345-V349 VanDerWaalsContact O-CG2 3.32Å; S345-V349 WeakPolarHBondContact O-CG2 3.32Å; S345-V349 PolarHBondContact O-N 3.45Å; D346-V349 PolarHBondContact O-N 2.91Å; V349-T353 VanDerWaalsContact O-CB 3.23Å; V349-T353 WeakPolarHBondContact O-CB 3.32Å; V349-T353 PolarHBondContact O-N 3.17Å; V349-T353 PolarHBondContact O-OG1 3.4Å
350	V	98	Very high	96.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-66.1	-47.3	-179.1	177.2	0	0	0	0	111	L46 M49 V50 A53 F90 D346 I348 L352 T353 N354	L46-V350 HydrophobicContact CD2-CG2 4.21Å; M49-V350 HydrophobicContact CB-CG1 4.09Å; M49-V350 HydrophobicContact CB-CG2 3.69Å; V50-V350 HydrophobicContact CG2-CG1 4.4Å; V50-V350 HydrophobicContact CG2-CG2 4.18Å; A53-V350 HydrophobicContact CB-CG1 4.2Å; F90-V350 HydrophobicContact CE1-CB 4.19Å; F90-V350 HydrophobicContact CE1-CG1 4.29Å; F90-V350 HydrophobicContact CE2-CG1 4.23Å; F90-V350 HydrophobicContact CZ-CB 3.96Å; F90-V350 HydrophobicContact CZ-CG1 3.55Å; D346-V350 VanDerWaalsContact O-CG2 3.25Å; D346-V350 WeakPolarHBondContact O-CG2 3.15Å; D346-V350 PolarHBondContact O-N 3.18Å; I348-V350 PolarHBondContact O-N 3.13Å; V350-L352 PolarHBondContact O-N 3.36Å; V350-T353 PolarHBondContact O-N 2.86Å; V350-N354 WeakPolarHBondContact O-CB 3.45Å; V350-N354 PolarHBondContact O-N 3.44Å
351	C	97.6	Very high	96.7	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.014	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-44.2	-179.6	-74.2	0	0	0	0	112.6	L82 L87 F90 L323 A347 I348 C355	L82-C351 HydrophobicContact CD1-CB 4.2Å; L87-C351 HydrophobicContact CD1-CB 3.97Å; F90-C351 VanDerWaalsContact CG-SG 3.53Å; L323-C351 HydrophobicContact CD2-CB 4.27Å; A347-C351 VanDerWaalsContact O-CB 3.23Å; A347-C351 WeakPolarHBondContact O-CB 3.32Å; A347-C351 PolarHBondContact O-N 3.39Å; A347-C351 PolarHBondContact O-SG 3.25Å; I348-C351 PolarHBondContact O-N 2.7Å; C351-C355 PolarHBondContact O-N 2.92Å; C351-C355 PolarHBondContact O-SG 3.24Å
352	L	97	Very high	96.6	Very high	90 Å²	90	30.4 Å²	30.4	47%	0.471	17%	0.166	S	C	.	.	H	α-helix	trans	-67.6	-44.4	177.5	-70.7	178.7	0	0	0	111.5	I348 V350 N354 C355 L356	I348-L352 HydrophobicContact CG2-CD1 3.69Å; I348-L352 HydrophobicContact CG2-CG 4.28Å; I348-L352 WeakPolarHBondContact O-CB 3.35Å; I348-L352 VanDerWaalsContact O-CG 3.32Å; I348-L352 WeakPolarHBondContact O-CG 3.46Å; I348-L352 PolarHBondContact O-N 3.09Å; V350-L352 PolarHBondContact O-N 3.36Å; L352-N354 VanDerWaalsContact C-N 3.34Å; L352-N354 PolarHBondContact O-N 2.86Å; L352-C355 PolarHBondContact O-N 3.25Å; L352-L356 WeakPolarHBondContact O-CB 3.47Å; L352-L356 VanDerWaalsContact O-CG 3.25Å; L352-L356 WeakPolarHBondContact O-CG 3.12Å; L352-L356 PolarHBondContact O-N 3.16Å
353	T	97.3	Very high	96.6	Very high	41 Å²	41	30.7 Å²	30.7	25%	0.252	16%	0.164	S	C	.	.	H	α-helix	trans	-57.1	-50.4	176.7	-58.7	0	0	0	0	109.9	V50 V349 V350 C355 L356 T357	V50-T353 HydrophobicContact CG1-CG2 3.91Å; V50-T353 HydrophobicContact CG2-CG2 4.15Å; V349-T353 VanDerWaalsContact O-CB 3.23Å; V349-T353 WeakPolarHBondContact O-CB 3.32Å; V349-T353 PolarHBondContact O-N 3.17Å; V349-T353 PolarHBondContact O-OG1 3.4Å; V350-T353 PolarHBondContact O-N 2.86Å; T353-C355 VanDerWaalsContact C-N 3.35Å; T353-C355 PolarHBondContact O-N 3.18Å; T353-L356 PolarHBondContact O-N 3.03Å; T353-T357 WeakPolarHBondContact O-CB 3.39Å; T353-T357 PolarHBondContact O-N 3.24Å; T353-T357 PolarHBondContact O-OG1 2.95Å
354	N	97.1	Very high	96.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-53.8	-48.1	178.2	173.7	65	0	0	0	113.3	A53 V54 N58 S322 L323 V350 L352 T357 S358	A53-N354 HydrophobicContact CB-CB 4Å; A53-N354 PolarHBondContact O-OD1 3.06Å; V54-N354 HydrophobicContact CG2-CB 4.28Å; N58-N354 PolarHBondContact ND2-O 2.91Å; N58-N354 PolarHBondContact ND2-OD1 3.43Å; S322-N354 PolarHBondContact OG-ND2 3.19Å; S322-N354 PolarHBondContact OG-OD1 3.14Å; S322-N354 VanDerWaalsContact OG-OD1 3.1Å; L323-N354 HydrophobicContact CD2-CB 4.11Å; L323-N354 WeakPolarHBondContact CD2-ND2 3.11Å; V350-N354 WeakPolarHBondContact O-CB 3.45Å; V350-N354 PolarHBondContact O-N 3.44Å; L352-N354 VanDerWaalsContact C-N 3.34Å; L352-N354 PolarHBondContact O-N 2.86Å; N354-T357 PolarHBondContact O-N 3.4Å; N354-S358 PolarHBondContact O-N 3.11Å; N354-S358 VanDerWaalsContact O-N 3.14Å; N354-S358 PolarHBondContact O-OG 3.37Å; N354-S358 VanDerWaalsContact O-OG 3.06Å
355	C	96	Very high	96.2	Very high	11 Å²	11	28.8 Å²	28.8	7%	0.074	16%	0.156	C	C	.	.	H	α-helix	trans	-69.6	-42.2	-178.4	-64.5	0	0	0	0	112.2	Y78 L82 C351 L352 T353 T357 S358 V359	Y78-C355 HydrophobicContact CE1-CB 3.86Å; Y78-C355 PolarHBondContact OH-SG 3Å; Y78-C355 VanDerWaalsContact OH-SG 3.4Å; L82-C355 HydrophobicContact CD2-CB 4.21Å; L82-C355 VanDerWaalsContact CD2-SG 3.51Å; C351-C355 PolarHBondContact O-N 2.92Å; C351-C355 PolarHBondContact O-SG 3.24Å; L352-C355 PolarHBondContact O-N 3.25Å; T353-C355 VanDerWaalsContact C-N 3.35Å; T353-C355 PolarHBondContact O-N 3.18Å; C355-T357 VanDerWaalsContact C-N 3.31Å; C355-T357 PolarHBondContact O-N 3.22Å; C355-S358 WeakPolarHBondContact O-CB 3.5Å; C355-S358 PolarHBondContact O-N 2.93Å; C355-V359 PolarHBondContact O-N 3.33Å; C355-V359 VanDerWaalsContact O-N 3.17Å
356	L	96.4	Very high	95.9	Very high	119 Å²	119	26.6 Å²	26.6	62%	0.623	14%	0.141	S	C	*	.	H	α-helix	trans	-63.5	-38.6	175.8	-70.8	173.3	0	0	0	111.5	L352 T353 S358 V359 F360	L352-L356 WeakPolarHBondContact O-CB 3.47Å; L352-L356 VanDerWaalsContact O-CG 3.25Å; L352-L356 WeakPolarHBondContact O-CG 3.12Å; L352-L356 PolarHBondContact O-N 3.16Å; T353-L356 PolarHBondContact O-N 3.03Å; L356-S358 VanDerWaalsContact C-N 3.35Å; L356-S358 PolarHBondContact O-N 2.92Å; L356-V359 PolarHBondContact O-N 3.14Å; L356-F360 VanDerWaalsContact O-CB 3.27Å; L356-F360 WeakPolarHBondContact O-CB 2.98Å; L356-F360 PolarHBondContact O-N 3.46Å
357	T	96.3	Very high	95.8	Very high	6 Å²	6	26.5 Å²	26.5	4%	0.037	14%	0.14	C	C	.	.	H	α-helix	trans	-62.8	-40.9	175.6	-55.8	0	0	0	0	111.8	V54 Y273 L276 T353 N354 C355 V359 F360 A361	V54-T357 HydrophobicContact CG1-CG2 3.62Å; V54-T357 HydrophobicContact CG2-CG2 4.34Å; Y273-T357 HydrophobicContact CE1-CG2 3.68Å; Y273-T357 WeakPolarHBondContact CE1-OG1 3.39Å; Y273-T357 PolarHBondContact OH-OG1 3.31Å; L276-T357 HydrophobicContact CD1-CG2 4.35Å; T353-T357 WeakPolarHBondContact O-CB 3.39Å; T353-T357 PolarHBondContact O-N 3.24Å; T353-T357 PolarHBondContact O-OG1 2.95Å; N354-T357 PolarHBondContact O-N 3.4Å; C355-T357 VanDerWaalsContact C-N 3.31Å; C355-T357 PolarHBondContact O-N 3.22Å; T357-V359 PolarHBondContact O-N 2.74Å; T357-F360 PolarHBondContact O-N 3.46Å; T357-A361 VanDerWaalsContact O-CB 3.27Å; T357-A361 WeakPolarHBondContact O-CB 3.3Å; T357-A361 PolarHBondContact O-N 3.31Å
358	S	96	Very high	95.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-45.2	174.8	-56.4	0	0	0	0	112.4	N58 F62 N354 C355 L356 G362	N58-S358 PolarHBondContact ND2-OG 2.81Å; F62-S358 VanDerWaalsContact CD1-C 3.49Å; F62-S358 VanDerWaalsContact CD1-CB 3.44Å; F62-S358 VanDerWaalsContact CD1-O 3.3Å; F62-S358 WeakPolarHBondContact CD1-O 3.32Å; N354-S358 PolarHBondContact O-N 3.11Å; N354-S358 VanDerWaalsContact O-N 3.14Å; N354-S358 PolarHBondContact O-OG 3.37Å; N354-S358 VanDerWaalsContact O-OG 3.06Å; C355-S358 WeakPolarHBondContact O-CB 3.5Å; C355-S358 PolarHBondContact O-N 2.93Å; L356-S358 VanDerWaalsContact C-N 3.35Å; L356-S358 PolarHBondContact O-N 2.92Å; S358-G362 PolarHBondContact O-N 3.41Å
359	V	95.8	Very high	95.1	Very high	33 Å²	33	24.5 Å²	24.5	20%	0.2	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-44.8	177	176.9	0	0	0	0	111	F62 L75 Y296 I297 C355 L356 T357 G362 F363	F62-V359 HydrophobicContact CE1-CB 4.43Å; F62-V359 HydrophobicContact CE1-CG2 3.81Å; F62-V359 HydrophobicContact CZ-CG2 3.82Å; L75-V359 HydrophobicContact CD2-CG2 4.12Å; Y296-V359 PolarHBondContact OH-O 2.89Å; I297-V359 HydrophobicContact CD1-CG1 4.15Å; C355-V359 PolarHBondContact O-N 3.33Å; C355-V359 VanDerWaalsContact O-N 3.17Å; L356-V359 PolarHBondContact O-N 3.14Å; T357-V359 PolarHBondContact O-N 2.74Å; V359-G362 PolarHBondContact O-N 2.67Å; V359-F363 HydrophobicContact CG1-CD2 4.17Å; V359-F363 HydrophobicContact CG1-CE2 3.76Å; V359-F363 VanDerWaalsContact O-CD2 3.26Å; V359-F363 WeakPolarHBondContact O-CD2 3.39Å; V359-F363 PolarHBondContact O-N 3.17Å
360	F	95.9	Very high	94.8	Very high	62 Å²	62	21.4 Å²	21.4	27%	0.272	11%	0.111	S	C	.	.	H	α-helix	trans	-61.9	-45.3	178.3	-177.2	-111.1	0	0	0	112.4	L276 L277 L280 L356 T357 G362 F363 A364	L276-F360 HydrophobicContact CB-CD1 3.97Å; L276-F360 HydrophobicContact CB-CE1 3.55Å; L276-F360 HydrophobicContact CD1-CD1 4.14Å; L276-F360 HydrophobicContact CD1-CE1 4.5Å; L277-F360 HydrophobicContact CB-CZ 4.3Å; L277-F360 HydrophobicContact CD1-CZ 4.26Å; L280-F360 HydrophobicContact CD2-CD2 4.11Å; L280-F360 HydrophobicContact CD2-CE2 3.34Å; L280-F360 HydrophobicContact CD2-CZ 3.88Å; L356-F360 VanDerWaalsContact O-CB 3.27Å; L356-F360 WeakPolarHBondContact O-CB 2.98Å; L356-F360 PolarHBondContact O-N 3.46Å; T357-F360 PolarHBondContact O-N 3.46Å; F360-G362 VanDerWaalsContact C-N 3.28Å; F360-G362 PolarHBondContact O-N 3.34Å; F360-F363 PolarHBondContact O-N 2.78Å; F360-A364 PolarHBondContact O-N 2.91Å
361	A	94.8	Very high	94.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.2	-40.2	174.5	0	0	0	0	0	111.2	V59 L276 T357 F363 A364 I365	V59-A361 HydrophobicContact CG2-CB 4.18Å; L276-A361 HydrophobicContact CD1-CB 4.03Å; L276-A361 HydrophobicContact CD2-CB 4.02Å; T357-A361 VanDerWaalsContact O-CB 3.27Å; T357-A361 WeakPolarHBondContact O-CB 3.3Å; T357-A361 PolarHBondContact O-N 3.31Å; A361-F363 VanDerWaalsContact C-N 3.34Å; A361-F363 PolarHBondContact O-N 3.09Å; A361-A364 PolarHBondContact O-N 2.83Å; A361-I365 WeakPolarHBondContact O-CB 3.49Å; A361-I365 VanDerWaalsContact O-CG1 3.27Å; A361-I365 WeakPolarHBondContact O-CG1 3.46Å; A361-I365 PolarHBondContact O-N 3.29Å
362	G	94.1	Very high	93.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-55.9	-43.5	174.2	0	0	0	0	0	113.5	Y296 S358 V359 F360 I365 F366	Y296-G362 VanDerWaalsContact CE1-C 3.45Å; S358-G362 PolarHBondContact O-N 3.41Å; V359-G362 PolarHBondContact O-N 2.67Å; F360-G362 VanDerWaalsContact C-N 3.28Å; F360-G362 PolarHBondContact O-N 3.34Å; G362-I365 PolarHBondContact O-N 3.49Å; G362-F366 WeakPolarHBondContact O-CB 3.27Å; G362-F366 WeakPolarHBondContact O-CD2 3.33Å; G362-F366 PolarHBondContact O-N 3.24Å
363	F	95.3	Very high	93.3	Very high	68 Å²	68	18.1 Å²	18.1	30%	0.298	9%	0.093	S	C	.	.	H	α-helix	trans	-63.2	-45.4	174.5	-76.7	-75.8	0	0	0	112.7	L280 I293 Y296 I297 V359 F360 A361 I365 S367	L280-F363 HydrophobicContact CD1-CB 3.78Å; I293-F363 HydrophobicContact CD1-CD1 3.83Å; I293-F363 HydrophobicContact CG2-CD1 4.15Å; I293-F363 HydrophobicContact CG2-CE1 3.91Å; Y296-F363 HydrophobicContact CD1-CD1 4.45Å; Y296-F363 HydrophobicContact CE1-CD2 4.26Å; Y296-F363 HydrophobicContact CE1-CE2 4.43Å; Y296-F363 HydrophobicContact CE1-CG 4.34Å; I297-F363 HydrophobicContact CD1-CE2 4.31Å; I297-F363 HydrophobicContact CD1-CZ 4.27Å; V359-F363 HydrophobicContact CG1-CD2 4.17Å; V359-F363 HydrophobicContact CG1-CE2 3.76Å; V359-F363 VanDerWaalsContact O-CD2 3.26Å; V359-F363 WeakPolarHBondContact O-CD2 3.39Å; V359-F363 PolarHBondContact O-N 3.17Å; F360-F363 PolarHBondContact O-N 2.78Å; A361-F363 VanDerWaalsContact C-N 3.34Å; A361-F363 PolarHBondContact O-N 3.09Å; F363-I365 VanDerWaalsContact C-N 3.28Å; F363-I365 PolarHBondContact O-N 2.72Å; F363-S367 WeakPolarHBondContact O-CB 3.25Å; F363-S367 PolarHBondContact O-N 3.24Å; F363-S367 VanDerWaalsContact O-N 3.09Å; F363-S367 PolarHBondContact O-OG 3.25Å
364	A	93.8	Very high	92.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-42.7	178.8	0	0	0	0	0	111.3	L276 L279 L280 F360 A361 S367	L276-A364 HydrophobicContact CD2-CB 4.19Å; L279-A364 HydrophobicContact CB-CB 4.38Å; L280-A364 HydrophobicContact CB-CB 4.01Å; F360-A364 PolarHBondContact O-N 2.91Å; A361-A364 PolarHBondContact O-N 2.83Å; A364-S367 PolarHBondContact O-OG 2.87Å
365	I	90.8	Very high	92.2	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-69.9	-53.7	180	-74.1	-46.6	0	0	0	112.5	V59 A361 G362 F363 S367 I368 L369 Y395 F412	V59-I365 HydrophobicContact CG1-CD1 4.11Å; V59-I365 HydrophobicContact CG1-CG1 4.19Å; A361-I365 WeakPolarHBondContact O-CB 3.49Å; A361-I365 VanDerWaalsContact O-CG1 3.27Å; A361-I365 WeakPolarHBondContact O-CG1 3.46Å; A361-I365 PolarHBondContact O-N 3.29Å; G362-I365 PolarHBondContact O-N 3.49Å; F363-I365 VanDerWaalsContact C-N 3.28Å; F363-I365 PolarHBondContact O-N 2.72Å; I365-S367 VanDerWaalsContact C-N 3.28Å; I365-S367 PolarHBondContact O-N 3.22Å; I365-I368 PolarHBondContact O-N 2.92Å; I365-L369 HydrophobicContact CG2-CD1 3.63Å; I365-L369 HydrophobicContact CG2-CG 4.42Å; I365-L369 PolarHBondContact O-N 2.82Å; I365-Y395 HydrophobicContact CB-CE1 4.28Å; I365-Y395 HydrophobicContact CD1-CD1 4.17Å; I365-Y395 HydrophobicContact CD1-CD2 4.42Å; I365-Y395 HydrophobicContact CD1-CE1 3.68Å; I365-Y395 HydrophobicContact CD1-CE2 3.88Å; I365-Y395 VanDerWaalsContact CD1-CZ 3.46Å; I365-Y395 HydrophobicContact CG1-CE1 4.15Å; I365-Y395 HydrophobicContact CG1-CE2 4.49Å; I365-Y395 WeakPolarHBondContact CG1-OH 3.27Å; I365-Y395 HydrophobicContact CG2-CE1 3.39Å; I365-Y395 WeakPolarHBondContact CG2-OH 3.41Å; I365-F412 HydrophobicContact CD1-CE2 4.31Å
366	F	91.8	Very high	91.3	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-71.5	-25.1	-172.6	-89.5	-85.3	0	0	0	112.5	P63 Y67 G292 I293 Y295 Y296 G362 G370 V380 V384	P63-F366 HydrophobicContact CB-CD2 3.98Å; P63-F366 HydrophobicContact CB-CE2 3.52Å; P63-F366 WeakPolarHBondContact O-CE2 3.14Å; Y67-F366 AromaticContact CD1-CZ 3.76Å; Y67-F366 HydrophobicContact CD1-CZ 3.76Å; Y67-F366 HydrophobicContact CG-CZ 4.16Å; G292-F366 VanDerWaalsContact CA-O 3.32Å; G292-F366 WeakPolarHBondContact CA-O 3.45Å; I293-F366 HydrophobicContact CD1-CB 4.17Å; Y295-F366 AromaticContact CD1-CE1 3.91Å; Y295-F366 HydrophobicContact CD1-CE1 3.91Å; Y296-F366 HydrophobicContact CD1-CB 4.49Å; Y296-F366 HydrophobicContact CD1-CD2 4.28Å; Y296-F366 AromaticContact CD2-CD2 3.54Å; Y296-F366 HydrophobicContact CD2-CD2 3.54Å; Y296-F366 AromaticContact CD2-CE2 3.57Å; Y296-F366 HydrophobicContact CD2-CE2 3.57Å; Y296-F366 HydrophobicContact CD2-CG 4.26Å; Y296-F366 HydrophobicContact CD2-CZ 4.33Å; Y296-F366 HydrophobicContact CE2-CD2 4.21Å; Y296-F366 HydrophobicContact CE2-CE2 4.19Å; Y296-F366 HydrophobicContact CG-CB 4.21Å; Y296-F366 AromaticContact CG-CD2 3.6Å; Y296-F366 HydrophobicContact CG-CD2 3.6Å; Y296-F366 HydrophobicContact CG-CE2 4.09Å; Y296-F366 AromaticContact CG-CG 3.92Å; Y296-F366 HydrophobicContact CG-CG 3.92Å; G362-F366 WeakPolarHBondContact O-CB 3.27Å; G362-F366 WeakPolarHBondContact O-CD2 3.33Å; G362-F366 PolarHBondContact O-N 3.24Å; F366-G370 PolarHBondContact O-N 3.41Å; F366-V380 HydrophobicContact CD1-CG1 4.23Å; F366-V380 HydrophobicContact CE1-CG1 4.11Å; F366-V384 HydrophobicContact CE1-CG2 4.2Å
367	S	94.1	Very high	90.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.007	13%	0.134	C	C	.	.	H	α-helix	trans	-62.8	-42.9	171.4	59.5	0	0	0	0	111.8	G283 A289 F363 A364 I365 H371	G283-S367 WeakPolarHBondContact CA-OG 3.32Å; A289-S367 WeakPolarHBondContact CA-O 3.34Å; F363-S367 WeakPolarHBondContact O-CB 3.25Å; F363-S367 PolarHBondContact O-N 3.24Å; F363-S367 VanDerWaalsContact O-N 3.09Å; F363-S367 PolarHBondContact O-OG 3.25Å; A364-S367 PolarHBondContact O-OG 2.87Å; I365-S367 VanDerWaalsContact C-N 3.28Å; I365-S367 PolarHBondContact O-N 3.22Å; S367-H371 PolarHBondContact O-N 3.44Å
368	I	91.6	Very high	89.5	Confident	8 Å²	8	24 Å²	24	4%	0.041	14%	0.139	C	C	.	.	H	α-helix	trans	-70.5	-43.7	176.8	-64.3	173.4	0	0	0	111.4	L279 I365 G370 H371 M372 A398 L399	L279-I368 HydrophobicContact CB-CD1 4.17Å; L279-I368 HydrophobicContact CD2-CD1 3.96Å; I365-I368 PolarHBondContact O-N 2.92Å; I368-G370 VanDerWaalsContact C-N 3.29Å; I368-G370 PolarHBondContact O-N 3.21Å; I368-H371 WeakPolarHBondContact O-CB 3.46Å; I368-H371 PolarHBondContact O-N 2.95Å; I368-M372 PolarHBondContact O-N 3.5Å; I368-A398 HydrophobicContact CG2-CB 3.71Å; I368-L399 HydrophobicContact CD1-CD2 4.29Å
369	L	89	Confident	88.9	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-64.3	-34.1	176.6	-72.5	168.6	0	0	0	112.5	I365 H371 M372 A373 V384 L390 Y395	I365-L369 HydrophobicContact CG2-CD1 3.63Å; I365-L369 HydrophobicContact CG2-CG 4.42Å; I365-L369 PolarHBondContact O-N 2.82Å; L369-H371 VanDerWaalsContact C-N 3.34Å; L369-M372 HydrophobicContact CD2-SD 4.45Å; L369-M372 PolarHBondContact O-N 3.01Å; L369-A373 WeakPolarHBondContact O-CB 3.27Å; L369-A373 PolarHBondContact O-N 3.4Å; L369-V384 HydrophobicContact CD1-CG2 3.89Å; L369-L390 HydrophobicContact CD1-CD1 4.41Å; L369-Y395 HydrophobicContact CD1-CE1 4.02Å; L369-Y395 HydrophobicContact CD2-CD1 4.45Å; L369-Y395 HydrophobicContact CG-CE1 4.39Å
370	G	91.4	Very high	88.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-41.7	173.4	0	0	0	0	0	112.4	G288 F366 I368 A373 H374	G288-G370 CarbonylContact O-C 2.94Å; G288-G370 VanDerWaalsContact O-C 3.29Å; F366-G370 PolarHBondContact O-N 3.41Å; I368-G370 VanDerWaalsContact C-N 3.29Å; I368-G370 PolarHBondContact O-N 3.21Å; G370-A373 PolarHBondContact O-N 2.81Å; G370-H374 WeakPolarHBondContact O-CB 3.33Å; G370-H374 PolarHBondContact O-N 3.28Å
371	H	89.9	Confident	87.6	Confident	23 Å²	23	28.2 Å²	28.2	11%	0.106	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-49.1	172.4	177.2	66.9	0	0	0	111.9	L286 E287 S367 I368 L369 A373 H374 I375	L286-H371 HydrophobicContact CB-CB 3.75Å; L286-H371 HydrophobicContact CD1-CB 3.87Å; L286-H371 HydrophobicContact CG-CB 4.4Å; E287-H371 WeakPolarHBondContact O-CA 3.33Å; E287-H371 PolarHBondContact O-ND1 3.39Å; S367-H371 PolarHBondContact O-N 3.44Å; I368-H371 WeakPolarHBondContact O-CB 3.46Å; I368-H371 PolarHBondContact O-N 2.95Å; L369-H371 VanDerWaalsContact C-N 3.34Å; H371-A373 VanDerWaalsContact C-N 3.3Å; H371-A373 PolarHBondContact O-N 3.42Å; H371-H374 WeakPolarHBondContact O-CA 3.42Å; H371-H374 WeakPolarHBondContact O-CB 3.41Å; H371-H374 PolarHBondContact O-N 3.42Å; H371-I375 VanDerWaalsContact CE1-CG2 3.49Å; H371-I375 WeakPolarHBondContact CE1-CG2 3.35Å; H371-I375 PolarHBondContact O-N 3.21Å
372	M	86.1	Confident	86.7	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-55.6	-45.5	177.2	177.5	-176	170.3	0	0	111.8	I368 L369 H374 I375 S376 V383 E397 A398	I368-M372 PolarHBondContact O-N 3.5Å; L369-M372 HydrophobicContact CD2-SD 4.45Å; L369-M372 PolarHBondContact O-N 3.01Å; M372-H374 VanDerWaalsContact C-N 3.33Å; M372-H374 PolarHBondContact O-N 3.38Å; M372-I375 WeakPolarHBondContact O-CG1 3.47Å; M372-S376 WeakPolarHBondContact O-CB 3.46Å; M372-S376 PolarHBondContact O-N 3.46Å; M372-S376 PolarHBondContact O-OG 3Å; M372-V383 HydrophobicContact CE-CB 4.09Å; M372-V383 HydrophobicContact CE-CG1 4.02Å; M372-V383 HydrophobicContact SD-CB 4.29Å; M372-E397 HydrophobicContact CE-CB 4.02Å; M372-E397 HydrophobicContact CE-CG 3.29Å; M372-E397 HydrophobicContact SD-CB 4.39Å; M372-E397 HydrophobicContact SD-CG 4.1Å; M372-A398 HydrophobicContact CB-CB 4.08Å; M372-A398 HydrophobicContact CG-CB 4.37Å; M372-A398 HydrophobicContact SD-CB 3.73Å
373	A	86.6	Confident	85.7	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-42.2	176.2	0	0	0	0	0	111.5	L369 G370 H371 G377 K378 V380 V383	L369-A373 WeakPolarHBondContact O-CB 3.27Å; L369-A373 PolarHBondContact O-N 3.4Å; G370-A373 PolarHBondContact O-N 2.81Å; H371-A373 VanDerWaalsContact C-N 3.3Å; H371-A373 PolarHBondContact O-N 3.42Å; A373-G377 PolarHBondContact O-N 3.31Å; A373-G377 VanDerWaalsContact O-N 3.1Å; A373-K378 CarbonylContact C-O 3.52Å; A373-K378 WeakPolarHBondContact CB-O 3.41Å; A373-K378 PolarHBondContact O-N 3.24Å; A373-K378 VanDerWaalsContact O-O 3.1Å; A373-V380 HydrophobicContact CB-CG2 3.84Å; A373-V383 HydrophobicContact CB-CG2 4.07Å
374	H	88.1	Confident	84.5	Confident	73 Å²	73	32 Å²	32	34%	0.338	18%	0.182	S	C	.	.	H	α-helix	trans	-61.5	-51.2	177.8	-174.4	96.7	0	0	0	112.4	K291 G370 H371 M372 S376 G377	K291-H374 HydrophobicContact CD-CB 4.4Å; K291-H374 PolarHBondContact NZ-ND1 3.4Å; G370-H374 WeakPolarHBondContact O-CB 3.33Å; G370-H374 PolarHBondContact O-N 3.28Å; H371-H374 WeakPolarHBondContact O-CA 3.42Å; H371-H374 WeakPolarHBondContact O-CB 3.41Å; H371-H374 PolarHBondContact O-N 3.42Å; M372-H374 VanDerWaalsContact C-N 3.33Å; M372-H374 PolarHBondContact O-N 3.38Å; H374-S376 VanDerWaalsContact C-N 3.33Å; H374-S376 PolarHBondContact O-N 3.45Å; H374-G377 PolarHBondContact O-N 3.07Å
375	I	83.3	Confident	83.4	Confident	83 Å²	83	34.2 Å²	34.2	43%	0.426	19%	0.192	S	C	.	.	H	α-helix	trans	-73.7	-26.8	-177.6	65.9	170	0	0	0	112.9	H371 M372 G377 Q401	H371-I375 VanDerWaalsContact CE1-CG2 3.49Å; H371-I375 WeakPolarHBondContact CE1-CG2 3.35Å; H371-I375 PolarHBondContact O-N 3.21Å; M372-I375 WeakPolarHBondContact O-CG1 3.47Å; I375-G377 VanDerWaalsContact C-N 3.27Å; I375-Q401 HydrophobicContact CD1-CB 3.78Å; I375-Q401 HydrophobicContact CD1-CG 4.08Å
376	S	75.7	Confident	82.4	Confident	42 Å²	42	36.9 Å²	36.9	29%	0.294	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.1	174.6	-56.5	0	0	0	0	113	M372 H374 K378	M372-S376 WeakPolarHBondContact O-CB 3.46Å; M372-S376 PolarHBondContact O-N 3.46Å; M372-S376 PolarHBondContact O-OG 3Å; H374-S376 VanDerWaalsContact C-N 3.33Å; H374-S376 PolarHBondContact O-N 3.45Å; S376-K378 PolarHBondContact O-N 2.83Å
377	G	77.3	Confident	81.5	Confident	73 Å²	73	38.2 Å²	38.2	75%	0.753	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	26.1	-172.8	0	0	0	0	0	113.6	A373 H374 I375	A373-G377 PolarHBondContact O-N 3.31Å; A373-G377 VanDerWaalsContact O-N 3.1Å; H374-G377 PolarHBondContact O-N 3.07Å; I375-G377 VanDerWaalsContact C-N 3.27Å
378	K	77.8	Confident	80.9	Confident	30 Å²	30	39 Å²	39	13%	0.13	23%	0.228	C	C	.	.			trans	-107.2	158.9	-176.4	-69.3	176.3	-170.7	171.4	0	111.1	R166 A373 S376 V383	R166-K378 PolarHBondContact O-NZ 3.44Å; A373-K378 CarbonylContact C-O 3.52Å; A373-K378 WeakPolarHBondContact CB-O 3.41Å; A373-K378 PolarHBondContact O-N 3.24Å; A373-K378 VanDerWaalsContact O-O 3.1Å; S376-K378 PolarHBondContact O-N 2.83Å; K378-V383 HydrophobicContact CB-CG1 4.06Å; K378-V383 HydrophobicContact CD-CG1 3.94Å
379	E	84.7	Confident	80.6	Confident	131 Å²	131	40 Å²	40	61%	0.612	23%	0.234	S	C	*	.			trans	-70.7	150.4	163.9	-67.1	-170.6	167.8	0	0	110.6	S381 Q382	E379-S381 VanDerWaalsContact CB-OG 3.29Å; E379-S381 WeakPolarHBondContact CB-OG 3.39Å; E379-S381 PolarHBondContact O-N 2.93Å; E379-S381 PolarHBondContact OE2-OG 2.86Å; E379-S381 VanDerWaalsContact OE2-OG 3.08Å; E379-Q382 HydrophobicContact CB-CG 4.34Å; E379-Q382 PolarHBondContact O-N 3.12Å; E379-Q382 VanDerWaalsContact O-N 3.08Å
380	V	83.1	Confident	80.4	Confident	10 Å²	10	40.1 Å²	40.1	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-36.9	176.5	-178.7	0	0	0	0	110.3	K291 Y295 F366 A373 Q382 V383 V384	K291-V380 HydrophobicContact CB-CG2 4.46Å; Y295-V380 HydrophobicContact CD1-CB 4.04Å; Y295-V380 HydrophobicContact CD1-CG1 3.63Å; Y295-V380 HydrophobicContact CD2-CB 4.06Å; Y295-V380 HydrophobicContact CE1-CB 4.45Å; Y295-V380 HydrophobicContact CE1-CG1 4.14Å; Y295-V380 HydrophobicContact CG-CB 3.85Å; Y295-V380 HydrophobicContact CG-CG1 3.87Å; Y295-V380 HydrophobicContact CG-CG2 4.46Å; F366-V380 HydrophobicContact CD1-CG1 4.23Å; F366-V380 HydrophobicContact CE1-CG1 4.11Å; A373-V380 HydrophobicContact CB-CG2 3.84Å; V380-Q382 PolarHBondContact O-N 2.99Å; V380-Q382 VanDerWaalsContact O-N 3.15Å; V380-V383 VanDerWaalsContact O-CG2 3.25Å; V380-V383 WeakPolarHBondContact O-CG2 3.4Å; V380-V383 PolarHBondContact O-N 3.36Å; V380-V384 HydrophobicContact CG1-CG2 3.93Å; V380-V384 VanDerWaalsContact O-CG2 3.27Å; V380-V384 WeakPolarHBondContact O-CG2 3.38Å; V380-V384 PolarHBondContact O-N 3.34Å
381	S	80.6	Confident	80.2	Confident	42 Å²	42	40.1 Å²	40.1	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-53.6	-31.9	175.5	59.6	0	0	0	0	114.1	Y295 E379	Y295-S381 VanDerWaalsContact OH-CB 3.32Å; Y295-S381 WeakPolarHBondContact OH-CB 3.37Å; E379-S381 VanDerWaalsContact CB-OG 3.29Å; E379-S381 WeakPolarHBondContact CB-OG 3.39Å; E379-S381 PolarHBondContact O-N 2.93Å; E379-S381 PolarHBondContact OE2-OG 2.86Å; E379-S381 VanDerWaalsContact OE2-OG 3.08Å
382	Q	75.2	Confident	80.3	Confident	127 Å²	127	39 Å²	39	59%	0.593	23%	0.229	S	C	*	.	H	α-helix	trans	-88	-17.8	-175.3	-64.6	178.8	-9.5	0	0	113.5	E379 V380	E379-Q382 HydrophobicContact CB-CG 4.34Å; E379-Q382 PolarHBondContact O-N 3.12Å; E379-Q382 VanDerWaalsContact O-N 3.08Å; V380-Q382 PolarHBondContact O-N 2.99Å; V380-Q382 VanDerWaalsContact O-N 3.15Å
383	V	73.8	Confident	80.5	Confident	8 Å²	8	39 Å²	39	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-99.9	-13.6	178.9	-60.8	0	0	0	0	112.6	M372 A373 K378 V380	M372-V383 HydrophobicContact CE-CB 4.09Å; M372-V383 HydrophobicContact CE-CG1 4.02Å; M372-V383 HydrophobicContact SD-CB 4.29Å; A373-V383 HydrophobicContact CB-CG2 4.07Å; K378-V383 HydrophobicContact CB-CG1 4.06Å; K378-V383 HydrophobicContact CD-CG1 3.94Å; V380-V383 VanDerWaalsContact O-CG2 3.25Å; V380-V383 WeakPolarHBondContact O-CG2 3.4Å; V380-V383 PolarHBondContact O-N 3.36Å
384	V	69.5	Low	80.6	Confident	11 Å²	11	39 Å²	39	7%	0.067	23%	0.229	C	C	.	.			trans	-92.4	113	179.2	-177.9	0	0	0	0	110.4	Y64 Y67 F366 L369 V380 L390	Y64-V384 HydrophobicContact CD2-CG1 4.4Å; Y67-V384 HydrophobicContact CD1-CG1 4Å; Y67-V384 HydrophobicContact CE1-CB 4.23Å; Y67-V384 HydrophobicContact CE1-CG1 3.27Å; F366-V384 HydrophobicContact CE1-CG2 4.2Å; L369-V384 HydrophobicContact CD1-CG2 3.89Å; V380-V384 HydrophobicContact CG1-CG2 3.93Å; V380-V384 VanDerWaalsContact O-CG2 3.27Å; V380-V384 WeakPolarHBondContact O-CG2 3.38Å; V380-V384 PolarHBondContact O-N 3.34Å; V384-L390 HydrophobicContact CG1-CD1 4.08Å
385	K	70.5	Confident	80.7	Confident	48 Å²	48	35.9 Å²	35.9	21%	0.209	21%	0.214	C	C	.	.			trans	-94.8	168.3	171	-63.2	-167.4	176.7	-170.1	0	111.2	Y64 E215 D389 L390 I393	Y64-K385 WeakPolarHBondContact CD2-O 3.16Å; E215-K385 IonicContact OE1-NZ 2.88Å; E215-K385 PolarHBondContact OE1-NZ 2.78Å; E215-K385 IonicContact OE2-NZ 2.92Å; E215-K385 PolarHBondContact OE2-NZ 3.43Å; K385-D389 HydrophobicContact CB-CB 3.75Å; K385-D389 HydrophobicContact CD-CB 3.87Å; K385-D389 HydrophobicContact CG-CB 4.47Å; K385-L390 WeakPolarHBondContact O-CB 3.44Å; K385-I393 HydrophobicContact CD-CD1 4.39Å; K385-I393 HydrophobicContact CD-CG2 4.36Å
386	S	69.8	Low	81.1	Confident	60 Å²	60	31.9 Å²	31.9	42%	0.42	19%	0.194	S	C	.	.			trans	-96.7	149.4	178.1	62.5	0	0	0	0	113.1	Y64 D389	Y64-S386 VanDerWaalsContact CE2-CA 3.45Å; S386-D389 PolarHBondContact O-N 3.22Å
387	G	73.6	Confident	81.7	Confident	29 Å²	29	30 Å²	30	30%	0.299	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	-136	167.4	0	0	0	0	0	113.9	D389 L390	G387-D389 PolarHBondContact O-N 2.93Å; G387-L390 WeakPolarHBondContact O-CB 3.42Å; G387-L390 PolarHBondContact O-N 2.89Å; G387-L390 VanDerWaalsContact O-N 3.12Å
388	F	82.1	Confident	82.3	Confident	17 Å²	17	26.6 Å²	26.6	8%	0.075	15%	0.145	C	C	.	.	H	α-helix	trans	-57.4	-34.5	-178.9	-60.3	-64.9	0	0	0	113.2	W60 I135 L390 A391 F392 I471 V474	W60-F388 HydrophobicContact CZ2-CE1 4.39Å; I135-F388 HydrophobicContact CD1-CE1 3.54Å; I135-F388 HydrophobicContact CD1-CZ 4.23Å; I135-F388 HydrophobicContact CG1-CD1 4.47Å; I135-F388 HydrophobicContact CG1-CE1 3.75Å; F388-L390 PolarHBondContact O-N 2.83Å; F388-A391 PolarHBondContact O-N 3.08Å; F388-A391 VanDerWaalsContact O-N 3.09Å; F388-F392 WeakPolarHBondContact O-CD2 3.41Å; F388-F392 PolarHBondContact O-N 3.49Å; F388-I471 HydrophobicContact CD2-CD1 4.31Å; F388-I471 HydrophobicContact CG-CD1 4.49Å; F388-V474 HydrophobicContact CE1-CG1 4.33Å; F388-V474 HydrophobicContact CE2-CG1 4.01Å; F388-V474 HydrophobicContact CZ-CG1 3.7Å
389	D	83.9	Confident	83	Confident	31 Å²	31	25.3 Å²	25.3	17%	0.166	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-28.8	-178.6	-67	8.1	0	0	0	111.5	K385 S386 G387 A391 I393 A394 Y553	K385-D389 HydrophobicContact CB-CB 3.75Å; K385-D389 HydrophobicContact CD-CB 3.87Å; K385-D389 HydrophobicContact CG-CB 4.47Å; S386-D389 PolarHBondContact O-N 3.22Å; G387-D389 PolarHBondContact O-N 2.93Å; D389-A391 VanDerWaalsContact C-N 3.34Å; D389-I393 HydrophobicContact CB-CD1 3.87Å; D389-I393 HydrophobicContact CB-CG1 4.46Å; D389-I393 WeakPolarHBondContact O-CA 3.29Å; D389-I393 WeakPolarHBondContact O-CB 3.28Å; D389-I393 PolarHBondContact O-N 2.84Å; D389-A394 PolarHBondContact O-N 2.52Å; D389-A394 VanDerWaalsContact O-N 3.07Å; D389-Y553 PolarHBondContact OD1-OH 3.43Å
390	L	84.5	Confident	83.3	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.01	11%	0.113	C	C	.	.	I	π-helix	trans	-64	-44.4	173.5	-171.1	58.5	0	0	0	110.9	W60 L369 V384 K385 G387 F388 A394 Y395	W60-L390 HydrophobicContact CB-CB 4.46Å; W60-L390 HydrophobicContact CB-CD2 4.11Å; W60-L390 WeakPolarHBondContact O-CD2 3.45Å; L369-L390 HydrophobicContact CD1-CD1 4.41Å; V384-L390 HydrophobicContact CG1-CD1 4.08Å; K385-L390 WeakPolarHBondContact O-CB 3.44Å; G387-L390 WeakPolarHBondContact O-CB 3.42Å; G387-L390 PolarHBondContact O-N 2.89Å; G387-L390 VanDerWaalsContact O-N 3.12Å; F388-L390 PolarHBondContact O-N 2.83Å; L390-A394 HydrophobicContact CD1-CB 3.87Å; L390-A394 PolarHBondContact O-N 3.27Å; L390-Y395 HydrophobicContact CD1-CD1 4.5Å; L390-Y395 HydrophobicContact CD1-CE1 3.86Å; L390-Y395 HydrophobicContact CD2-CE1 4.48Å; L390-Y395 WeakPolarHBondContact CD2-OH 3.24Å; L390-Y395 HydrophobicContact CG-CE1 3.88Å; L390-Y395 HydrophobicContact CG-CE2 4.09Å; L390-Y395 WeakPolarHBondContact O-CD2 3.36Å; L390-Y395 PolarHBondContact O-N 3.01Å
391	A	88.2	Confident	83.5	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	I	π-helix	trans	-74.9	-38.4	-174.5	0	0	0	0	0	114	W60 F388 D389 P396	W60-A391 HydrophobicContact CB-CB 4.47Å; W60-A391 HydrophobicContact CD2-CB 4.07Å; W60-A391 HydrophobicContact CE3-CB 3.29Å; W60-A391 HydrophobicContact CZ3-CB 3.68Å; F388-A391 PolarHBondContact O-N 3.08Å; F388-A391 VanDerWaalsContact O-N 3.09Å; D389-A391 VanDerWaalsContact C-N 3.34Å; A391-P396 WeakPolarHBondContact O-CD 3.48Å
392	F	92.7	Very high	83.9	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	I	π-helix	trans	-112.9	0.2	-171.1	-61.5	-71.2	0	0	0	114.4	W60 I135 Y138 Y142 W218 F388 F413	W60-F392 HydrophobicContact CZ3-CE2 4.45Å; I135-F392 HydrophobicContact CG2-CE2 3.66Å; I135-F392 HydrophobicContact CG2-CZ 3.76Å; Y138-F392 HydrophobicContact CD2-CE2 4.24Å; Y138-F392 HydrophobicContact CD2-CZ 4.43Å; Y142-F392 AromaticContact CD2-CD1 3.55Å; Y142-F392 HydrophobicContact CD2-CD1 3.55Å; Y142-F392 HydrophobicContact CD2-CE1 4.09Å; Y142-F392 HydrophobicContact CE2-CB 4.05Å; Y142-F392 AromaticContact CE2-CD1 3.6Å; Y142-F392 HydrophobicContact CE2-CD1 3.6Å; Y142-F392 HydrophobicContact CE2-CG 4.21Å; Y142-F392 HydrophobicContact CG-CD1 4.4Å; Y142-F392 PolarHBondContact OH-O 3.14Å; W218-F392 HydrophobicContact CD2-CB 3.94Å; W218-F392 HydrophobicContact CE3-CB 3.73Å; W218-F392 HydrophobicContact CE3-CG 4.35Å; W218-F392 HydrophobicContact CH2-CB 3.92Å; W218-F392 AromaticContact CH2-CD2 3.86Å; W218-F392 HydrophobicContact CH2-CD2 3.86Å; W218-F392 AromaticContact CH2-CG 3.83Å; W218-F392 HydrophobicContact CH2-CG 3.83Å; W218-F392 HydrophobicContact CZ2-CB 4.14Å; W218-F392 HydrophobicContact CZ2-CD2 4.25Å; W218-F392 HydrophobicContact CZ2-CG 4.38Å; W218-F392 HydrophobicContact CZ3-CB 3.73Å; W218-F392 HydrophobicContact CZ3-CD1 4.22Å; W218-F392 HydrophobicContact CZ3-CD2 4.33Å; W218-F392 AromaticContact CZ3-CG 3.83Å; W218-F392 HydrophobicContact CZ3-CG 3.83Å; F388-F392 WeakPolarHBondContact O-CD2 3.41Å; F388-F392 PolarHBondContact O-N 3.49Å; F392-F413 AromaticContact CD1-CE1 3.95Å; F392-F413 HydrophobicContact CD1-CE1 3.95Å; F392-F413 HydrophobicContact CE1-CD1 4.41Å; F392-F413 HydrophobicContact CE1-CE1 4.06Å
393	I	90.4	Very high	84.5	Confident	1 Å²	1	17.4 Å²	17.4	1%	0.005	11%	0.106	C	C	.	.	I	π-helix	trans	-123.8	-60.1	172.5	-54.6	175.2	0	0	0	110.5	S214 E215 W218 K385 D389 P396 E397	S214-I393 WeakPolarHBondContact CB-O 3.37Å; S214-I393 PolarHBondContact OG-O 3.1Å; E215-I393 HydrophobicContact CB-CD1 4.31Å; E215-I393 HydrophobicContact CB-CG2 3.74Å; E215-I393 HydrophobicContact CG-CD1 4.24Å; W218-I393 HydrophobicContact CB-CD1 4.39Å; W218-I393 HydrophobicContact CB-CG1 3.88Å; W218-I393 HydrophobicContact CG-CD1 4.25Å; W218-I393 HydrophobicContact CG-CG1 3.93Å; K385-I393 HydrophobicContact CD-CD1 4.39Å; K385-I393 HydrophobicContact CD-CG2 4.36Å; D389-I393 HydrophobicContact CB-CD1 3.87Å; D389-I393 HydrophobicContact CB-CG1 4.46Å; D389-I393 WeakPolarHBondContact O-CA 3.29Å; D389-I393 WeakPolarHBondContact O-CB 3.28Å; D389-I393 PolarHBondContact O-N 2.84Å; I393-P396 WeakPolarHBondContact O-CD 3.38Å; I393-E397 VanDerWaalsContact O-CB 3.29Å; I393-E397 WeakPolarHBondContact O-CB 3.34Å; I393-E397 PolarHBondContact O-N 3.13Å; I393-E397 VanDerWaalsContact O-N 3.15Å
394	A	88.1	Confident	85.4	Confident	2 Å²	2	19.4 Å²	19.4	2%	0.017	13%	0.129	C	C	.	.	I	π-helix	trans	-71.6	-45	-171.7	0	0	0	0	0	113.3	D389 L390 E397 A398	D389-A394 PolarHBondContact O-N 2.52Å; D389-A394 VanDerWaalsContact O-N 3.07Å; L390-A394 HydrophobicContact CD1-CB 3.87Å; L390-A394 PolarHBondContact O-N 3.27Å; A394-E397 WeakPolarHBondContact O-CB 3.18Å; A394-A398 PolarHBondContact O-N 3.22Å
395	Y	89.1	Confident	86.5	Confident	6 Å²	6	19.1 Å²	19.1	2%	0.024	13%	0.128	C	C	.	.	H	α-helix	trans	-66.2	-45.9	176.1	-59.3	-32.5	0	0	0	113.4	V59 W60 I365 L369 L390 E397 A398 L399 F412	V59-Y395 HydrophobicContact CG1-CE2 4.41Å; V59-Y395 PolarHBondContact O-OH 2.67Å; W60-Y395 HydrophobicContact CB-CE2 4.39Å; I365-Y395 HydrophobicContact CB-CE1 4.28Å; I365-Y395 HydrophobicContact CD1-CD1 4.17Å; I365-Y395 HydrophobicContact CD1-CD2 4.42Å; I365-Y395 HydrophobicContact CD1-CE1 3.68Å; I365-Y395 HydrophobicContact CD1-CE2 3.88Å; I365-Y395 VanDerWaalsContact CD1-CZ 3.46Å; I365-Y395 HydrophobicContact CG1-CE1 4.15Å; I365-Y395 HydrophobicContact CG1-CE2 4.49Å; I365-Y395 WeakPolarHBondContact CG1-OH 3.27Å; I365-Y395 HydrophobicContact CG2-CE1 3.39Å; I365-Y395 WeakPolarHBondContact CG2-OH 3.41Å; L369-Y395 HydrophobicContact CD1-CE1 4.02Å; L369-Y395 HydrophobicContact CD2-CD1 4.45Å; L369-Y395 HydrophobicContact CG-CE1 4.39Å; L390-Y395 HydrophobicContact CD1-CD1 4.5Å; L390-Y395 HydrophobicContact CD1-CE1 3.86Å; L390-Y395 HydrophobicContact CD2-CE1 4.48Å; L390-Y395 WeakPolarHBondContact CD2-OH 3.24Å; L390-Y395 HydrophobicContact CG-CE1 3.88Å; L390-Y395 HydrophobicContact CG-CE2 4.09Å; L390-Y395 WeakPolarHBondContact O-CD2 3.36Å; L390-Y395 PolarHBondContact O-N 3.01Å; Y395-E397 PolarHBondContact O-N 3.16Å; Y395-A398 PolarHBondContact O-N 3.12Å; Y395-A398 VanDerWaalsContact O-N 3.09Å; Y395-L399 WeakPolarHBondContact O-CB 3.35Å; Y395-L399 VanDerWaalsContact O-CG 3.24Å; Y395-L399 WeakPolarHBondContact O-CG 3.45Å; Y395-L399 PolarHBondContact O-N 3.46Å; Y395-F412 AromaticContact CD2-CE1 3.89Å; Y395-F412 HydrophobicContact CD2-CE1 3.89Å; Y395-F412 AromaticContact CD2-CE2 3.84Å; Y395-F412 HydrophobicContact CD2-CE2 3.84Å; Y395-F412 AromaticContact CD2-CZ 3.2Å; Y395-F412 HydrophobicContact CD2-CZ 3.2Å; Y395-F412 HydrophobicContact CE2-CE2 4.3Å; Y395-F412 AromaticContact CE2-CZ 3.87Å; Y395-F412 HydrophobicContact CE2-CZ 3.87Å; Y395-F412 HydrophobicContact CG-CE1 4.4Å; Y395-F412 HydrophobicContact CG-CE2 4.37Å; Y395-F412 AromaticContact CG-CZ 3.94Å; Y395-F412 HydrophobicContact CG-CZ 3.94Å
396	P	92.2	Very high	87.7	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-35.1	179.7	-25.1	38.9	0	0	0	111.9	Y142 W153 A391 I393 A400 F413	Y142-P396 HydrophobicContact CE1-CB 4.48Å; Y142-P396 HydrophobicContact CE1-CG 4.46Å; W153-P396 HydrophobicContact CD2-CB 4.33Å; W153-P396 HydrophobicContact CG-CB 4.32Å; W153-P396 HydrophobicContact CZ2-CB 4.38Å; W153-P396 PolarHBondContact NE1-O 2.78Å; A391-P396 WeakPolarHBondContact O-CD 3.48Å; I393-P396 WeakPolarHBondContact O-CD 3.38Å; P396-A400 VanDerWaalsContact O-CB 3.28Å; P396-A400 WeakPolarHBondContact O-CB 3.39Å; P396-A400 PolarHBondContact O-N 3.03Å; P396-F413 HydrophobicContact CB-CZ 4.1Å; P396-F413 HydrophobicContact CG-CE1 4.23Å; P396-F413 HydrophobicContact CG-CE2 4.39Å; P396-F413 HydrophobicContact CG-CZ 3.5Å; P396-F413 VanDerWaalsContact CG-CZ 3.5Å
397	E	89.4	Confident	88.9	Confident	1 Å²	1	21 Å²	21	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-59.6	-51.3	170.6	-173.5	62.2	-143.2	0	0	111.9	L212 S214 M372 I393 A394 Y395 L399 A400 Q401	L212-E397 HydrophobicContact CD1-CG 4.46Å; S214-E397 VanDerWaalsContact CB-OE2 3.29Å; S214-E397 WeakPolarHBondContact CB-OE2 3.01Å; S214-E397 WeakPolarHBondContact OG-CB 3.36Å; S214-E397 PolarHBondContact OG-OE2 3.12Å; M372-E397 HydrophobicContact CE-CB 4.02Å; M372-E397 HydrophobicContact CE-CG 3.29Å; M372-E397 HydrophobicContact SD-CB 4.39Å; M372-E397 HydrophobicContact SD-CG 4.1Å; I393-E397 VanDerWaalsContact O-CB 3.29Å; I393-E397 WeakPolarHBondContact O-CB 3.34Å; I393-E397 PolarHBondContact O-N 3.13Å; I393-E397 VanDerWaalsContact O-N 3.15Å; A394-E397 WeakPolarHBondContact O-CB 3.18Å; Y395-E397 PolarHBondContact O-N 3.16Å; E397-L399 PolarHBondContact O-N 3.36Å; E397-A400 PolarHBondContact O-N 3.45Å; E397-Q401 WeakPolarHBondContact O-CG 3.34Å; E397-Q401 PolarHBondContact O-N 2.8Å; E397-Q401 PolarHBondContact OE1-NE2 3.2Å
398	A	89.1	Confident	90	Very high	2 Å²	2	21.1 Å²	21.1	2%	0.017	12%	0.123	C	C	.	.	H	α-helix	trans	-64.4	-40.5	-178.4	0	0	0	0	0	112.1	I368 M372 A394 Y395 A400 Q401	I368-A398 HydrophobicContact CG2-CB 3.71Å; M372-A398 HydrophobicContact CB-CB 4.08Å; M372-A398 HydrophobicContact CG-CB 4.37Å; M372-A398 HydrophobicContact SD-CB 3.73Å; A394-A398 PolarHBondContact O-N 3.22Å; Y395-A398 PolarHBondContact O-N 3.12Å; Y395-A398 VanDerWaalsContact O-N 3.09Å; A398-A400 VanDerWaalsContact C-N 3.34Å; A398-A400 PolarHBondContact O-N 3.49Å; A398-Q401 PolarHBondContact O-N 3.49Å
399	L	92.3	Very high	90.6	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-33.5	178.1	-63.7	176.8	0	0	0	112.1	L279 I368 Y395 E397 Q401 L402 G405 W408 F412	L279-L399 HydrophobicContact CD2-CD2 4.39Å; I368-L399 HydrophobicContact CD1-CD2 4.29Å; Y395-L399 WeakPolarHBondContact O-CB 3.35Å; Y395-L399 VanDerWaalsContact O-CG 3.24Å; Y395-L399 WeakPolarHBondContact O-CG 3.45Å; Y395-L399 PolarHBondContact O-N 3.46Å; E397-L399 PolarHBondContact O-N 3.36Å; L399-Q401 PolarHBondContact O-N 3.4Å; L399-L402 HydrophobicContact CD2-CD1 4Å; L399-L402 WeakPolarHBondContact O-CB 3.4Å; L399-L402 PolarHBondContact O-N 3.14Å; L399-L402 VanDerWaalsContact O-N 3.14Å; L399-G405 WeakPolarHBondContact O-CA 3.16Å; L399-W408 HydrophobicContact CB-CB 4.48Å; L399-W408 HydrophobicContact CD2-CB 4.01Å; L399-F412 HydrophobicContact CD1-CB 3.49Å; L399-F412 VanDerWaalsContact CD1-CB 3.49Å; L399-F412 HydrophobicContact CD1-CD1 3.87Å; L399-F412 HydrophobicContact CD1-CD2 4.33Å; L399-F412 HydrophobicContact CD1-CG 3.61Å
400	A	91.4	Very high	91.3	Very high	5 Å²	5	20.8 Å²	20.8	4%	0.041	12%	0.122	C	C	.	.	H	α-helix	trans	-67.5	-18.2	177	0	0	0	0	0	113.9	L151 K154 P396 E397 A398	L151-A400 HydrophobicContact CD1-CB 3.79Å; K154-A400 HydrophobicContact CB-CB 4.2Å; K154-A400 HydrophobicContact CG-CB 4.28Å; P396-A400 VanDerWaalsContact O-CB 3.28Å; P396-A400 WeakPolarHBondContact O-CB 3.39Å; P396-A400 PolarHBondContact O-N 3.03Å; E397-A400 PolarHBondContact O-N 3.45Å; A398-A400 VanDerWaalsContact C-N 3.34Å; A398-A400 PolarHBondContact O-N 3.49Å
401	Q	86.2	Confident	91.8	Very high	41 Å²	41	22.1 Å²	22.1	19%	0.192	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-14.3	176.3	-64	171.8	15.7	0	0	112.4	I375 E397 A398 L399	I375-Q401 HydrophobicContact CD1-CB 3.78Å; I375-Q401 HydrophobicContact CD1-CG 4.08Å; E397-Q401 WeakPolarHBondContact O-CG 3.34Å; E397-Q401 PolarHBondContact O-N 2.8Å; E397-Q401 PolarHBondContact OE1-NE2 3.2Å; A398-Q401 PolarHBondContact O-N 3.49Å; L399-Q401 PolarHBondContact O-N 3.4Å
402	L	89.2	Confident	92.2	Very high	7 Å²	7	22.2 Å²	22.2	4%	0.037	13%	0.13	C	C	.	.	S	Bend	trans	-76.1	145.6	176.7	-58.2	-179.5	0	0	0	111.4	L286 L399 G404 G405 W408	L286-L402 HydrophobicContact CD1-CD2 3.44Å; L286-L402 VanDerWaalsContact CD1-CD2 3.44Å; L286-L402 HydrophobicContact CD2-CD2 3.92Å; L286-L402 HydrophobicContact CG-CD2 4.33Å; L399-L402 HydrophobicContact CD2-CD1 4Å; L399-L402 WeakPolarHBondContact O-CB 3.4Å; L399-L402 PolarHBondContact O-N 3.14Å; L399-L402 VanDerWaalsContact O-N 3.14Å; L402-G404 PolarHBondContact O-N 3.36Å; L402-G405 PolarHBondContact O-N 3.09Å; L402-W408 HydrophobicContact CB-CG 4.39Å; L402-W408 HydrophobicContact CD1-CB 4.29Å; L402-W408 HydrophobicContact CD1-CD2 4.12Å; L402-W408 HydrophobicContact CD1-CG 3.85Å
403	P	89.3	Confident	92.4	Very high	91 Å²	91	22.2 Å²	22.2	59%	0.591	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	130.1	168.1	26.5	-33.5	0	0	0	109.3	R282 W408	R282-P403 VanDerWaalsContact NH2-CG 3.27Å; P403-W408 PolarHBondContact O-NE1 3.28Å
404	G	91.6	Very high	92.7	Very high	50 Å²	50	25 Å²	25	52%	0.515	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	30.5	-172.8	0	0	0	0	0	114	L402 P406 F407	L402-G404 PolarHBondContact O-N 3.36Å; G404-P406 VanDerWaalsContact C-N 3.28Å; G404-F407 WeakPolarHBondContact O-CB 3.36Å; G404-F407 PolarHBondContact O-N 2.86Å
405	G	93	Very high	93	Very high	6 Å²	6	24.9 Å²	24.9	6%	0.062	14%	0.141	C	C	.	.	H	α-helix	trans	-33.3	-48.9	178.8	0	0	0	0	0	116.3	L399 L402 F407 W408 S409	L399-G405 WeakPolarHBondContact O-CA 3.16Å; L402-G405 PolarHBondContact O-N 3.09Å; G405-F407 VanDerWaalsContact C-N 3.32Å; G405-F407 PolarHBondContact O-N 3.01Å; G405-W408 PolarHBondContact O-N 2.85Å; G405-W408 VanDerWaalsContact O-N 3.15Å; G405-S409 PolarHBondContact O-N 3.4Å; G405-S409 PolarHBondContact O-OG 2.83Å
406	P	96.3	Very high	93.3	Very high	29 Å²	29	24.6 Å²	24.6	19%	0.188	14%	0.14	C	C	.	.	H	α-helix	trans	-49.6	-44.8	175.4	-31.2	37.3	0	0	0	115	Q148 L151 G404 W408 S409 I410	Q148-P406 WeakPolarHBondContact O-CB 3.16Å; Q148-P406 WeakPolarHBondContact O-CG 3.3Å; L151-P406 HydrophobicContact CD2-CB 4.35Å; L151-P406 HydrophobicContact CD2-CG 4.2Å; L151-P406 HydrophobicContact CG-CG 4.1Å; G404-P406 VanDerWaalsContact C-N 3.28Å; P406-W408 PolarHBondContact O-N 2.94Å; P406-S409 PolarHBondContact O-N 3.43Å; P406-I410 WeakPolarHBondContact O-CD1 3.07Å; P406-I410 VanDerWaalsContact O-CG1 3.24Å; P406-I410 WeakPolarHBondContact O-CG1 3.31Å; P406-I410 PolarHBondContact O-N 3.28Å
407	F	95.4	Very high	93.5	Very high	117 Å²	117	25 Å²	25	51%	0.513	14%	0.142	S	C	.	.	H	α-helix	trans	-61.4	-46.6	179.4	170.3	-102.3	0	0	0	111.8	G404 G405 I410 L411	G404-F407 WeakPolarHBondContact O-CB 3.36Å; G404-F407 PolarHBondContact O-N 2.86Å; G405-F407 VanDerWaalsContact C-N 3.32Å; G405-F407 PolarHBondContact O-N 3.01Å; F407-I410 PolarHBondContact O-N 3.28Å; F407-L411 HydrophobicContact CD1-CD1 4.22Å; F407-L411 HydrophobicContact CE1-CD1 3.56Å; F407-L411 HydrophobicContact CE2-CD1 3.92Å; F407-L411 HydrophobicContact CE2-CG 4.33Å; F407-L411 HydrophobicContact CZ-CD1 3.4Å; F407-L411 HydrophobicContact CZ-CG 4.29Å; F407-L411 PolarHBondContact O-N 2.56Å; F407-L411 VanDerWaalsContact O-N 3.11Å
408	W	95.2	Very high	93.8	Very high	32 Å²	32	25 Å²	25	12%	0.121	14%	0.142	C	C	.	.	H	α-helix	trans	-67.6	-39.3	-179.5	-54.9	105.2	0	0	0	112	I278 L279 R282 L399 L402 P403 G405 P406 L411 F412	I278-W408 HydrophobicContact CG2-CH2 4.49Å; I278-W408 HydrophobicContact CG2-CZ3 3.72Å; L279-W408 HydrophobicContact CD2-CE3 3.89Å; L279-W408 HydrophobicContact CD2-CZ3 4.44Å; R282-W408 HydrophobicContact CB-CH2 3.67Å; R282-W408 HydrophobicContact CB-CZ2 4.44Å; R282-W408 HydrophobicContact CB-CZ3 3.77Å; R282-W408 HydrophobicContact CG-CE3 4.42Å; R282-W408 HydrophobicContact CG-CH2 3.48Å; R282-W408 VanDerWaalsContact CG-CH2 3.48Å; R282-W408 HydrophobicContact CG-CZ2 3.75Å; R282-W408 HydrophobicContact CG-CZ3 3.82Å; L399-W408 HydrophobicContact CB-CB 4.48Å; L399-W408 HydrophobicContact CD2-CB 4.01Å; L402-W408 HydrophobicContact CB-CG 4.39Å; L402-W408 HydrophobicContact CD1-CB 4.29Å; L402-W408 HydrophobicContact CD1-CD2 4.12Å; L402-W408 HydrophobicContact CD1-CG 3.85Å; P403-W408 PolarHBondContact O-NE1 3.28Å; G405-W408 PolarHBondContact O-N 2.85Å; G405-W408 VanDerWaalsContact O-N 3.15Å; P406-W408 PolarHBondContact O-N 2.94Å; W408-L411 PolarHBondContact O-N 3.42Å; W408-F412 VanDerWaalsContact O-CB 3.24Å; W408-F412 WeakPolarHBondContact O-CB 3.15Å; W408-F412 PolarHBondContact O-N 3.09Å
409	S	96.1	Very high	94.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.4	-43.6	175.6	-64	0	0	0	0	112.2	S146 L151 G405 P406 L411 F412 F413	S146-S409 VanDerWaalsContact OG-CB 3.28Å; S146-S409 WeakPolarHBondContact OG-CB 3.41Å; L151-S409 WeakPolarHBondContact CD1-OG 3.46Å; G405-S409 PolarHBondContact O-N 3.4Å; G405-S409 PolarHBondContact O-OG 2.83Å; P406-S409 PolarHBondContact O-N 3.43Å; S409-L411 PolarHBondContact O-N 3.47Å; S409-F412 PolarHBondContact O-N 3.23Å; S409-F413 WeakPolarHBondContact O-CD2 3.36Å; S409-F413 PolarHBondContact O-N 2.88Å
410	I	96.9	Very high	94.2	Very high	42 Å²	42	25 Å²	25	22%	0.215	14%	0.141	C	C	.	.	H	α-helix	trans	-57.4	-50.5	175.3	-69	162.3	0	0	0	110.3	F147 P406 F407 F412 F414	F147-I410 HydrophobicContact CD1-CD1 3.59Å; F147-I410 HydrophobicContact CD1-CG1 4.33Å; F147-I410 HydrophobicContact CE1-CD1 3.58Å; F147-I410 HydrophobicContact CE1-CG1 4.14Å; F147-I410 HydrophobicContact CE1-CG2 4.32Å; F147-I410 HydrophobicContact CG-CD1 4.31Å; F147-I410 HydrophobicContact CZ-CD1 4.29Å; F147-I410 HydrophobicContact CZ-CG1 4.36Å; F147-I410 HydrophobicContact CZ-CG2 4.19Å; P406-I410 WeakPolarHBondContact O-CD1 3.07Å; P406-I410 VanDerWaalsContact O-CG1 3.24Å; P406-I410 WeakPolarHBondContact O-CG1 3.31Å; P406-I410 PolarHBondContact O-N 3.28Å; F407-I410 PolarHBondContact O-N 3.28Å; I410-F412 PolarHBondContact O-N 3.1Å; I410-F414 WeakPolarHBondContact O-CB 3.37Å; I410-F414 PolarHBondContact O-N 3.4Å
411	L	95.8	Very high	94.5	Very high	30 Å²	30	25.1 Å²	25.1	16%	0.157	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-43.9	179	-73.3	-179.1	0	0	0	112.3	F271 V275 I278 F407 W408 S409 M415	F271-L411 HydrophobicContact CZ-CD2 4.3Å; V275-L411 HydrophobicContact CG1-CB 4.22Å; I278-L411 HydrophobicContact CG2-CD1 4.48Å; F407-L411 HydrophobicContact CD1-CD1 4.22Å; F407-L411 HydrophobicContact CE1-CD1 3.56Å; F407-L411 HydrophobicContact CE2-CD1 3.92Å; F407-L411 HydrophobicContact CE2-CG 4.33Å; F407-L411 HydrophobicContact CZ-CD1 3.4Å; F407-L411 HydrophobicContact CZ-CG 4.29Å; F407-L411 PolarHBondContact O-N 2.56Å; F407-L411 VanDerWaalsContact O-N 3.11Å; W408-L411 PolarHBondContact O-N 3.42Å; S409-L411 PolarHBondContact O-N 3.47Å; L411-M415 WeakPolarHBondContact O-CB 3.49Å; L411-M415 PolarHBondContact O-N 3.09Å
412	F	95.6	Very high	94.9	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-49.6	-178.9	178.4	-99.8	0	0	0	112.2	V59 L279 I365 Y395 L399 W408 S409 I410 F414 M415 L416	V59-F412 HydrophobicContact CG1-CE2 4.38Å; L279-F412 HydrophobicContact CD1-CD2 4.06Å; I365-F412 HydrophobicContact CD1-CE2 4.31Å; Y395-F412 AromaticContact CD2-CE1 3.89Å; Y395-F412 HydrophobicContact CD2-CE1 3.89Å; Y395-F412 AromaticContact CD2-CE2 3.84Å; Y395-F412 HydrophobicContact CD2-CE2 3.84Å; Y395-F412 AromaticContact CD2-CZ 3.2Å; Y395-F412 HydrophobicContact CD2-CZ 3.2Å; Y395-F412 HydrophobicContact CE2-CE2 4.3Å; Y395-F412 AromaticContact CE2-CZ 3.87Å; Y395-F412 HydrophobicContact CE2-CZ 3.87Å; Y395-F412 HydrophobicContact CG-CE1 4.4Å; Y395-F412 HydrophobicContact CG-CE2 4.37Å; Y395-F412 AromaticContact CG-CZ 3.94Å; Y395-F412 HydrophobicContact CG-CZ 3.94Å; L399-F412 HydrophobicContact CD1-CB 3.49Å; L399-F412 VanDerWaalsContact CD1-CB 3.49Å; L399-F412 HydrophobicContact CD1-CD1 3.87Å; L399-F412 HydrophobicContact CD1-CD2 4.33Å; L399-F412 HydrophobicContact CD1-CG 3.61Å; W408-F412 VanDerWaalsContact O-CB 3.24Å; W408-F412 WeakPolarHBondContact O-CB 3.15Å; W408-F412 PolarHBondContact O-N 3.09Å; S409-F412 PolarHBondContact O-N 3.23Å; I410-F412 PolarHBondContact O-N 3.1Å; F412-F414 VanDerWaalsContact C-N 3.35Å; F412-M415 HydrophobicContact CD2-CE 3.59Å; F412-M415 HydrophobicContact CE2-CE 3.58Å; F412-M415 WeakPolarHBondContact O-CB 3.25Å; F412-M415 PolarHBondContact O-N 2.9Å; F412-L416 HydrophobicContact CD1-CD1 4.25Å; F412-L416 HydrophobicContact CD1-CG 4.46Å; F412-L416 HydrophobicContact CE1-CD1 3.44Å; F412-L416 VanDerWaalsContact CE1-CD1 3.44Å; F412-L416 HydrophobicContact CE1-CD2 4.45Å; F412-L416 HydrophobicContact CE1-CG 3.89Å; F412-L416 HydrophobicContact CE2-CD2 4.42Å; F412-L416 HydrophobicContact CZ-CD1 3.7Å; F412-L416 HydrophobicContact CZ-CD2 3.92Å; F412-L416 HydrophobicContact CZ-CG 3.86Å; F412-L416 PolarHBondContact O-N 3.31Å
413	F	97	Very high	95.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-72.1	-30.4	-179.5	-70	-62.3	0	0	0	112.8	Y142 M143 W153 F392 P396 S409 L416 L417	Y142-F413 VanDerWaalsContact CB-CE1 3.44Å; Y142-F413 HydrophobicContact CD1-CE1 4.06Å; Y142-F413 AromaticContact CD1-CE2 3.73Å; Y142-F413 HydrophobicContact CD1-CE2 3.73Å; Y142-F413 AromaticContact CD1-CZ 3.33Å; Y142-F413 HydrophobicContact CD1-CZ 3.33Å; Y142-F413 HydrophobicContact CD2-CE1 4.2Å; Y142-F413 HydrophobicContact CD2-CZ 4.27Å; Y142-F413 HydrophobicContact CE1-CZ 4.16Å; Y142-F413 HydrophobicContact CG-CD1 4.31Å; Y142-F413 AromaticContact CG-CE1 3.66Å; Y142-F413 HydrophobicContact CG-CE1 3.66Å; Y142-F413 AromaticContact CG-CE2 3.93Å; Y142-F413 HydrophobicContact CG-CE2 3.93Å; Y142-F413 AromaticContact CG-CZ 3.41Å; Y142-F413 HydrophobicContact CG-CZ 3.41Å; Y142-F413 VanDerWaalsContact CG-CZ 3.41Å; M143-F413 HydrophobicContact CB-CB 3.91Å; W153-F413 HydrophobicContact CH2-CE2 4.1Å; W153-F413 AromaticContact CZ2-CE2 3.94Å; W153-F413 HydrophobicContact CZ2-CE2 3.94Å; F392-F413 AromaticContact CD1-CE1 3.95Å; F392-F413 HydrophobicContact CD1-CE1 3.95Å; F392-F413 HydrophobicContact CE1-CD1 4.41Å; F392-F413 HydrophobicContact CE1-CE1 4.06Å; P396-F413 HydrophobicContact CB-CZ 4.1Å; P396-F413 HydrophobicContact CG-CE1 4.23Å; P396-F413 HydrophobicContact CG-CE2 4.39Å; P396-F413 HydrophobicContact CG-CZ 3.5Å; P396-F413 VanDerWaalsContact CG-CZ 3.5Å; S409-F413 WeakPolarHBondContact O-CD2 3.36Å; S409-F413 PolarHBondContact O-N 2.88Å; F413-L416 HydrophobicContact CD1-CD1 4.13Å; F413-L416 PolarHBondContact O-N 3.28Å; F413-L417 PolarHBondContact O-N 3.49Å
414	F	96.8	Very high	95.5	Very high	58 Å²	58	19.3 Å²	19.3	25%	0.254	11%	0.108	S	C	.	.	H	α-helix	trans	-69	-35.9	171.3	-172	-117.1	0	0	0	111.8	M143 F267 F271 I410 F412 L417 T418	M143-F414 HydrophobicContact SD-CB 4.07Å; M143-F414 HydrophobicContact SD-CD2 3.71Å; M143-F414 HydrophobicContact SD-CG 4.31Å; F267-F414 AromaticContact CE1-CE1 3.89Å; F267-F414 HydrophobicContact CE1-CE1 3.89Å; F267-F414 AromaticContact CE1-CZ 3.68Å; F267-F414 HydrophobicContact CE1-CZ 3.68Å; F267-F414 AromaticContact CZ-CE1 3.69Å; F267-F414 HydrophobicContact CZ-CE1 3.69Å; F267-F414 AromaticContact CZ-CZ 3.83Å; F267-F414 HydrophobicContact CZ-CZ 3.83Å; F271-F414 AromaticContact CD1-CD1 3.93Å; F271-F414 HydrophobicContact CD1-CD1 3.93Å; F271-F414 AromaticContact CD1-CE1 3.95Å; F271-F414 HydrophobicContact CD1-CE1 3.95Å; F271-F414 AromaticContact CE1-CD1 3.16Å; F271-F414 HydrophobicContact CE1-CD1 3.16Å; F271-F414 AromaticContact CE1-CE1 3.55Å; F271-F414 HydrophobicContact CE1-CE1 3.55Å; F271-F414 HydrophobicContact CE1-CG 4.24Å; F271-F414 HydrophobicContact CE2-CD1 4.39Å; F271-F414 HydrophobicContact CE2-CE1 4.23Å; F271-F414 HydrophobicContact CG-CE1 4.46Å; F271-F414 AromaticContact CZ-CD1 3.44Å; F271-F414 HydrophobicContact CZ-CD1 3.44Å; F271-F414 VanDerWaalsContact CZ-CD1 3.44Å; F271-F414 AromaticContact CZ-CE1 3.7Å; F271-F414 HydrophobicContact CZ-CE1 3.7Å; I410-F414 WeakPolarHBondContact O-CB 3.37Å; I410-F414 PolarHBondContact O-N 3.4Å; F412-F414 VanDerWaalsContact C-N 3.35Å; F414-L417 HydrophobicContact CD2-CD2 3.82Å; F414-L417 HydrophobicContact CE2-CD2 4Å; F414-L417 WeakPolarHBondContact O-CB 3.32Å; F414-L417 PolarHBondContact O-N 2.99Å; F414-T418 HydrophobicContact CE1-CG2 4.44Å; F414-T418 HydrophobicContact CZ-CG2 4.36Å; F414-T418 WeakPolarHBondContact O-CG2 3.47Å; F414-T418 PolarHBondContact O-N 3.42Å; F414-T418 PolarHBondContact O-OG1 2.78Å
415	M	95.9	Very high	95.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.1	-44.4	168.7	170.4	-172.5	78.5	0	0	112.2	V59 P272 V275 L276 L411 F412 L417 T418 L419	V59-M415 HydrophobicContact CG1-CE 4.18Å; P272-M415 HydrophobicContact CB-CG 3.93Å; P272-M415 HydrophobicContact CG-CG 4.43Å; V275-M415 HydrophobicContact CB-CB 4.02Å; V275-M415 HydrophobicContact CB-CG 4.27Å; V275-M415 HydrophobicContact CB-SD 3.88Å; V275-M415 HydrophobicContact CG1-CB 3.89Å; V275-M415 HydrophobicContact CG1-CG 4.33Å; V275-M415 HydrophobicContact CG1-SD 3.69Å; V275-M415 HydrophobicContact CG2-CB 4.17Å; L276-M415 HydrophobicContact CD2-CE 4.21Å; L276-M415 HydrophobicContact CD2-SD 3.74Å; L276-M415 HydrophobicContact CG-SD 3.78Å; L411-M415 WeakPolarHBondContact O-CB 3.49Å; L411-M415 PolarHBondContact O-N 3.09Å; F412-M415 HydrophobicContact CD2-CE 3.59Å; F412-M415 HydrophobicContact CE2-CE 3.58Å; F412-M415 WeakPolarHBondContact O-CB 3.25Å; F412-M415 PolarHBondContact O-N 2.9Å; M415-L417 VanDerWaalsContact C-N 3.3Å; M415-L417 PolarHBondContact O-N 2.99Å; M415-T418 PolarHBondContact O-N 3.29Å; M415-T418 PolarHBondContact O-OG1 3.21Å; M415-L419 HydrophobicContact CG-CD1 3.94Å; M415-L419 HydrophobicContact CG-CG 4.38Å; M415-L419 WeakPolarHBondContact O-CB 3.47Å; M415-L419 WeakPolarHBondContact O-CG 3.3Å; M415-L419 PolarHBondContact O-N 3.26Å
416	L	95.3	Very high	95.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-40.4	175.6	-67.2	-171.5	0	0	0	111.5	L56 V59 W60 F412 F413 G420	L56-L416 HydrophobicContact CD2-CB 3.96Å; L56-L416 HydrophobicContact CD2-CD2 3.78Å; L56-L416 HydrophobicContact CD2-CG 4.39Å; L56-L416 WeakPolarHBondContact CD2-O 3.37Å; V59-L416 HydrophobicContact CG1-CD2 4.44Å; W60-L416 HydrophobicContact CE3-CD2 4.44Å; W60-L416 HydrophobicContact CZ3-CD1 4.47Å; W60-L416 HydrophobicContact CZ3-CD2 4.45Å; F412-L416 HydrophobicContact CD1-CD1 4.25Å; F412-L416 HydrophobicContact CD1-CG 4.46Å; F412-L416 HydrophobicContact CE1-CD1 3.44Å; F412-L416 VanDerWaalsContact CE1-CD1 3.44Å; F412-L416 HydrophobicContact CE1-CD2 4.45Å; F412-L416 HydrophobicContact CE1-CG 3.89Å; F412-L416 HydrophobicContact CE2-CD2 4.42Å; F412-L416 HydrophobicContact CZ-CD1 3.7Å; F412-L416 HydrophobicContact CZ-CD2 3.92Å; F412-L416 HydrophobicContact CZ-CG 3.86Å; F412-L416 PolarHBondContact O-N 3.31Å; F413-L416 HydrophobicContact CD1-CD1 4.13Å; F413-L416 PolarHBondContact O-N 3.28Å; L416-G420 PolarHBondContact O-N 3.4Å
417	L	96.1	Very high	95.9	Very high	8 Å²	8	16.1 Å²	16.1	4%	0.042	8%	0.077	C	C	.	.	H	α-helix	trans	-56.3	-52.6	172.8	168.5	65.2	0	0	0	111.2	I136 L140 F413 F414 M415 G420 L421	I136-L417 HydrophobicContact CG2-CD1 3.3Å; L140-L417 HydrophobicContact CD1-CD1 4.43Å; L140-L417 HydrophobicContact CD2-CD1 4.08Å; L140-L417 HydrophobicContact CD2-CD2 3.72Å; L140-L417 HydrophobicContact CD2-CG 4.49Å; L140-L417 HydrophobicContact CG-CD1 4.06Å; F413-L417 PolarHBondContact O-N 3.49Å; F414-L417 HydrophobicContact CD2-CD2 3.82Å; F414-L417 HydrophobicContact CE2-CD2 4Å; F414-L417 WeakPolarHBondContact O-CB 3.32Å; F414-L417 PolarHBondContact O-N 2.99Å; M415-L417 VanDerWaalsContact C-N 3.3Å; M415-L417 PolarHBondContact O-N 2.99Å; L417-G420 PolarHBondContact O-N 3.33Å; L417-L421 HydrophobicContact CD1-CD1 3.8Å; L417-L421 HydrophobicContact CD1-CD2 4.41Å; L417-L421 HydrophobicContact CD1-CG 3.95Å; L417-L421 HydrophobicContact CG-CD1 3.95Å; L417-L421 HydrophobicContact CG-CG 4.46Å; L417-L421 VanDerWaalsContact O-CG 3.27Å; L417-L421 WeakPolarHBondContact O-CG 3.21Å; L417-L421 PolarHBondContact O-N 2.55Å
418	T	95.7	Very high	95.9	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.012	5%	0.052	C	C	.	.	H	α-helix	trans	-66.7	-39.7	-176.8	56.7	0	0	0	0	112.8	F267 T268 F271 P272 F414 M415 G420 L421 D422	F267-T418 HydrophobicContact CE1-CG2 4.14Å; T268-T418 HydrophobicContact CG2-CG2 4.2Å; F271-T418 HydrophobicContact CD1-CG2 4.2Å; P272-T418 WeakPolarHBondContact CG-OG1 3.32Å; F414-T418 HydrophobicContact CE1-CG2 4.44Å; F414-T418 HydrophobicContact CZ-CG2 4.36Å; F414-T418 WeakPolarHBondContact O-CG2 3.47Å; F414-T418 PolarHBondContact O-N 3.42Å; F414-T418 PolarHBondContact O-OG1 2.78Å; M415-T418 PolarHBondContact O-N 3.29Å; M415-T418 PolarHBondContact O-OG1 3.21Å; T418-G420 VanDerWaalsContact C-N 3.28Å; T418-G420 PolarHBondContact O-N 3.19Å; T418-L421 PolarHBondContact O-N 3.33Å; T418-D422 PolarHBondContact O-N 3.47Å
419	L	94.6	Very high	96	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.021	5%	0.047	C	C	.	.	H	α-helix	trans	-61.4	-37.9	173.3	-75	172.7	0	0	0	112.1	V54 L56 V59 P272 M415	V54-L419 HydrophobicContact CG1-CD2 3.78Å; L56-L419 HydrophobicContact CD2-CB 4.21Å; V59-L419 HydrophobicContact CG2-CD1 3.51Å; P272-L419 HydrophobicContact CB-CD1 4.36Å; P272-L419 HydrophobicContact CB-CD2 3.66Å; P272-L419 HydrophobicContact CB-CG 3.86Å; P272-L419 HydrophobicContact CG-CD2 3.61Å; P272-L419 HydrophobicContact CG-CG 3.68Å; M415-L419 HydrophobicContact CG-CD1 3.94Å; M415-L419 HydrophobicContact CG-CG 4.38Å; M415-L419 WeakPolarHBondContact O-CB 3.47Å; M415-L419 WeakPolarHBondContact O-CG 3.3Å; M415-L419 PolarHBondContact O-N 3.26Å
420	G	95.6	Very high	96	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-69.5	-41.8	177.2	0	0	0	0	0	112.5	Y132 I136 L416 L417 T418 D422 S423 Q424	Y132-G420 WeakPolarHBondContact CE1-O 3.49Å; I136-G420 WeakPolarHBondContact CD1-O 3.44Å; L416-G420 PolarHBondContact O-N 3.4Å; L417-G420 PolarHBondContact O-N 3.33Å; T418-G420 VanDerWaalsContact C-N 3.28Å; T418-G420 PolarHBondContact O-N 3.19Å; G420-D422 PolarHBondContact O-N 3.19Å; G420-S423 PolarHBondContact O-N 2.97Å; G420-Q424 WeakPolarHBondContact O-CG 3.44Å; G420-Q424 PolarHBondContact O-N 3.02Å; G420-Q424 VanDerWaalsContact O-N 3.11Å
421	L	96.4	Very high	96	Very high	8 Å²	8	7.8 Å²	7.8	4%	0.042	4%	0.04	C	C	.	.	H	α-helix	trans	-60.9	-41.5	-175.3	-77	171.7	0	0	0	112.8	I249 V250 T268 L417 T418 S423 Q424 F425	I249-L421 HydrophobicContact CB-CD2 4.33Å; I249-L421 HydrophobicContact CG2-CD1 3.77Å; I249-L421 HydrophobicContact CG2-CD2 3.7Å; I249-L421 HydrophobicContact CG2-CG 4.42Å; V250-L421 HydrophobicContact CG2-CD2 3.75Å; T268-L421 HydrophobicContact CG2-CD1 4.45Å; L417-L421 HydrophobicContact CD1-CD1 3.8Å; L417-L421 HydrophobicContact CD1-CD2 4.41Å; L417-L421 HydrophobicContact CD1-CG 3.95Å; L417-L421 HydrophobicContact CG-CD1 3.95Å; L417-L421 HydrophobicContact CG-CG 4.46Å; L417-L421 VanDerWaalsContact O-CG 3.27Å; L417-L421 WeakPolarHBondContact O-CG 3.21Å; L417-L421 PolarHBondContact O-N 2.55Å; T418-L421 PolarHBondContact O-N 3.33Å; L421-S423 PolarHBondContact O-N 3.35Å; L421-Q424 CarbonylContact O-C 3.6Å; L421-Q424 WeakPolarHBondContact O-CB 3.31Å; L421-Q424 PolarHBondContact O-N 2.98Å; L421-Q424 VanDerWaalsContact O-N 3.12Å; L421-F425 HydrophobicContact CB-CE1 4.05Å; L421-F425 HydrophobicContact CB-CE2 4.26Å; L421-F425 HydrophobicContact CB-CZ 3.76Å; L421-F425 HydrophobicContact CD2-CE1 4.12Å; L421-F425 HydrophobicContact CD2-CZ 4.38Å; L421-F425 HydrophobicContact CG-CZ 4.47Å; L421-F425 WeakPolarHBondContact O-CD1 3.13Å; L421-F425 WeakPolarHBondContact O-CG 3.44Å; L421-F425 PolarHBondContact O-N 2.9Å
422	D	95.2	Very high	95.9	Very high	6 Å²	6	6.4 Å²	6.4	3%	0.032	3%	0.033	C	C	.	.	H	α-helix	trans	-64.8	-41.2	-178.4	-70.6	-20.4	0	0	0	112.4	G51 T268 A269 T418 G420 Q424 F425 A426	G51-D422 VanDerWaalsContact C-CB 3.47Å; G51-D422 VanDerWaalsContact O-CB 3.26Å; G51-D422 WeakPolarHBondContact O-CB 3.18Å; T268-D422 WeakPolarHBondContact CB-OD1 3.35Å; T268-D422 PolarHBondContact OG1-OD1 3.17Å; A269-D422 WeakPolarHBondContact CA-OD2 3.23Å; A269-D422 WeakPolarHBondContact CB-OD2 3.25Å; A269-D422 PolarHBondContact N-OD2 3.38Å; A269-D422 VanDerWaalsContact N-OD2 3.07Å; T418-D422 PolarHBondContact O-N 3.47Å; G420-D422 PolarHBondContact O-N 3.19Å; D422-Q424 VanDerWaalsContact C-N 3.3Å; D422-Q424 PolarHBondContact O-N 2.9Å; D422-F425 PolarHBondContact O-N 2.59Å; D422-A426 PolarHBondContact O-N 2.86Å
423	S	95.3	Very high	95.9	Very high	11 Å²	11	6.3 Å²	6.3	8%	0.077	3%	0.033	C	C	.	.	H	α-helix	trans	-63.9	-36.8	173.4	-46.1	0	0	0	0	112.1	Y132 G420 L421 S427	Y132-S423 PolarHBondContact OH-OG 3.18Å; G420-S423 PolarHBondContact O-N 2.97Å; L421-S423 PolarHBondContact O-N 3.35Å; S423-S427 WeakPolarHBondContact O-CB 3.45Å; S423-S427 PolarHBondContact O-N 3.35Å; S423-S427 VanDerWaalsContact O-N 3.09Å; S423-S427 PolarHBondContact O-OG 3.29Å
424	Q	96.3	Very high	95.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-66.5	-38.9	174.2	-72.3	-60.6	-65.3	0	0	112.4	Y132 I136 V250 G420 L421 D422 A426 S427 I428	Y132-Q424 HydrophobicContact CD1-CG 3.99Å; Y132-Q424 HydrophobicContact CE1-CG 4.43Å; I136-Q424 HydrophobicContact CD1-CB 4.47Å; I136-Q424 HydrophobicContact CD1-CG 3.45Å; I136-Q424 VanDerWaalsContact CD1-CG 3.45Å; V250-Q424 HydrophobicContact CG2-CB 3.94Å; G420-Q424 WeakPolarHBondContact O-CG 3.44Å; G420-Q424 PolarHBondContact O-N 3.02Å; G420-Q424 VanDerWaalsContact O-N 3.11Å; L421-Q424 CarbonylContact O-C 3.6Å; L421-Q424 WeakPolarHBondContact O-CB 3.31Å; L421-Q424 PolarHBondContact O-N 2.98Å; L421-Q424 VanDerWaalsContact O-N 3.12Å; D422-Q424 VanDerWaalsContact C-N 3.3Å; D422-Q424 PolarHBondContact O-N 2.9Å; Q424-A426 VanDerWaalsContact C-N 3.35Å; Q424-A426 PolarHBondContact O-N 3.49Å; Q424-S427 PolarHBondContact O-N 3.32Å; Q424-I428 PolarHBondContact O-N 2.93Å
425	F	96.5	Very high	95.6	Very high	7 Å²	7	6.5 Å²	6.5	3%	0.031	4%	0.036	C	C	.	.	H	α-helix	trans	-58.9	-48.5	177.7	-61.9	-16.8	0	0	0	111.1	V250 A253 L254 V264 V265 L421 D422 S427 E429	V250-F425 HydrophobicContact CG1-CD1 4.46Å; V250-F425 HydrophobicContact CG2-CE1 4.3Å; A253-F425 HydrophobicContact CB-CD1 4.07Å; A253-F425 HydrophobicContact CB-CE1 3.35Å; A253-F425 HydrophobicContact CB-CE2 4.08Å; A253-F425 HydrophobicContact CB-CZ 3.33Å; L254-F425 HydrophobicContact CD1-CD1 4.46Å; L254-F425 HydrophobicContact CD2-CB 4.21Å; L254-F425 HydrophobicContact CG-CD1 4.3Å; V264-F425 HydrophobicContact CB-CE2 4.32Å; V264-F425 HydrophobicContact CG1-CE2 3.75Å; V264-F425 HydrophobicContact CG1-CZ 3.97Å; V265-F425 HydrophobicContact CG1-CD2 4.32Å; L421-F425 HydrophobicContact CB-CE1 4.05Å; L421-F425 HydrophobicContact CB-CE2 4.26Å; L421-F425 HydrophobicContact CB-CZ 3.76Å; L421-F425 HydrophobicContact CD2-CE1 4.12Å; L421-F425 HydrophobicContact CD2-CZ 4.38Å; L421-F425 HydrophobicContact CG-CZ 4.47Å; L421-F425 WeakPolarHBondContact O-CD1 3.13Å; L421-F425 WeakPolarHBondContact O-CG 3.44Å; L421-F425 PolarHBondContact O-N 2.9Å; D422-F425 PolarHBondContact O-N 2.59Å; F425-S427 PolarHBondContact O-N 3.22Å; F425-E429 VanDerWaalsContact O-CB 3.3Å; F425-E429 WeakPolarHBondContact O-CB 3.4Å; F425-E429 PolarHBondContact O-N 3.45Å
426	A	96.3	Very high	95.4	Very high	3 Å²	3	7.1 Å²	7.1	3%	0.025	4%	0.039	C	C	.	.	H	α-helix	trans	-63.8	-38.9	177.1	0	0	0	0	0	112.9	Y52 L333 D422 Q424 E429 T430	Y52-A426 HydrophobicContact CD1-CB 4.17Å; Y52-A426 HydrophobicContact CD2-CB 3.2Å; Y52-A426 HydrophobicContact CE2-CB 3.65Å; Y52-A426 HydrophobicContact CG-CB 3.48Å; Y52-A426 VanDerWaalsContact CG-CB 3.48Å; L333-A426 HydrophobicContact CD1-CB 3.89Å; D422-A426 PolarHBondContact O-N 2.86Å; Q424-A426 VanDerWaalsContact C-N 3.35Å; Q424-A426 PolarHBondContact O-N 3.49Å; A426-E429 PolarHBondContact O-N 2.96Å; A426-T430 PolarHBondContact O-N 3.25Å; A426-T430 PolarHBondContact O-OG1 3.28Å
427	S	95.4	Very high	95.2	Very high	9 Å²	9	8.1 Å²	8.1	6%	0.063	5%	0.045	C	C	.	.	H	α-helix	trans	-67.1	-44	-179.1	-56.5	0	0	0	0	112.1	T129 S423 Q424 F425 T430 I431	T129-S427 VanDerWaalsContact OG1-CB 3.28Å; T129-S427 WeakPolarHBondContact OG1-CB 3.32Å; S423-S427 WeakPolarHBondContact O-CB 3.45Å; S423-S427 PolarHBondContact O-N 3.35Å; S423-S427 VanDerWaalsContact O-N 3.09Å; S423-S427 PolarHBondContact O-OG 3.29Å; Q424-S427 PolarHBondContact O-N 3.32Å; F425-S427 PolarHBondContact O-N 3.22Å; S427-T430 VanDerWaalsContact O-CB 3.29Å; S427-T430 WeakPolarHBondContact O-CB 3.09Å; S427-T430 PolarHBondContact O-N 3.06Å; S427-I431 PolarHBondContact O-N 3.27Å
428	I	96.6	Very high	94.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-68.5	-37.5	173.5	-62.5	-63	0	0	0	111.4	T129 W247 V250 L254 Q424 T430 I431 T432 T451 L458	T129-I428 HydrophobicContact CG2-CD1 3.84Å; T129-I428 HydrophobicContact CG2-CG1 4.37Å; W247-I428 HydrophobicContact CH2-CD1 3.9Å; W247-I428 HydrophobicContact CZ3-CD1 3.67Å; W247-I428 HydrophobicContact CZ3-CG1 4.14Å; V250-I428 HydrophobicContact CG1-CG1 3.97Å; L254-I428 HydrophobicContact CD1-CB 3.51Å; L254-I428 HydrophobicContact CD1-CG1 4.22Å; L254-I428 HydrophobicContact CD1-CG2 3.48Å; L254-I428 VanDerWaalsContact CD1-CG2 3.48Å; Q424-I428 PolarHBondContact O-N 2.93Å; I428-T430 PolarHBondContact O-N 2.9Å; I428-I431 HydrophobicContact CD1-CD1 4.31Å; I428-I431 PolarHBondContact O-N 3.02Å; I428-T432 HydrophobicContact CG2-CG2 4.06Å; I428-T432 WeakPolarHBondContact O-CG2 3.48Å; I428-T432 PolarHBondContact O-N 3.45Å; I428-T432 PolarHBondContact O-OG1 3.35Å; I428-T451 HydrophobicContact CG2-CG2 4.23Å; I428-L458 HydrophobicContact CD1-CD1 3.42Å; I428-L458 VanDerWaalsContact CD1-CD1 3.42Å
429	E	96.1	Very high	94.6	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.014	9%	0.092	C	C	.	.	H	α-helix	trans	-61.1	-36.8	173.8	-164.1	66.3	-153.7	0	0	110.5	I258 L333 Y336 F425 A426 I431 T432 T433 R447	I258-E429 HydrophobicContact CG2-CG 3.96Å; L333-E429 HydrophobicContact CD2-CB 4.5Å; L333-E429 HydrophobicContact CD2-CG 4.33Å; Y336-E429 HydrophobicContact CE2-CG 4.23Å; Y336-E429 PolarHBondContact OH-OE1 3.36Å; Y336-E429 VanDerWaalsContact OH-OE1 3.14Å; F425-E429 VanDerWaalsContact O-CB 3.3Å; F425-E429 WeakPolarHBondContact O-CB 3.4Å; F425-E429 PolarHBondContact O-N 3.45Å; A426-E429 PolarHBondContact O-N 2.96Å; E429-I431 PolarHBondContact O-N 2.95Å; E429-T432 WeakPolarHBondContact CA-OG1 3.08Å; E429-T432 PolarHBondContact O-N 2.93Å; E429-T432 PolarHBondContact O-OG1 3.11Å; E429-T433 WeakPolarHBondContact O-CA 3.28Å; E429-T433 WeakPolarHBondContact O-CB 3.26Å; E429-T433 PolarHBondContact O-N 3.18Å; E429-T433 PolarHBondContact O-OG1 3.43Å; E429-R447 IonicContact OE1-CZ 3.48Å; E429-R447 IonicContact OE1-NH2 3.44Å; E429-R447 PolarHBondContact OE1-NH2 3.5Å; E429-R447 IonicContact OE2-NH2 2.67Å; E429-R447 PolarHBondContact OE2-NH2 3.37Å
430	T	96.6	Very high	94.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.3	-44.6	175.7	-54.9	0	0	0	0	112.2	P104 V122 G329 A332 A426 S427 I428 T434	P104-T430 HydrophobicContact CG-CG2 3.89Å; V122-T430 HydrophobicContact CG2-CG2 4.42Å; G329-T430 WeakPolarHBondContact CA-OG1 3.48Å; A332-T430 HydrophobicContact CB-CG2 4.48Å; A426-T430 PolarHBondContact O-N 3.25Å; A426-T430 PolarHBondContact O-OG1 3.28Å; S427-T430 VanDerWaalsContact O-CB 3.29Å; S427-T430 WeakPolarHBondContact O-CB 3.09Å; S427-T430 PolarHBondContact O-N 3.06Å; I428-T430 PolarHBondContact O-N 2.9Å; T430-T434 PolarHBondContact O-N 3.21Å; T430-T434 PolarHBondContact O-OG1 2.94Å
431	I	96.4	Very high	93.9	Very high	13 Å²	13	27.9 Å²	27.9	7%	0.067	14%	0.14	C	C	.	.	H	α-helix	trans	-68.9	-51.2	178.5	-61.3	163.1	0	0	0	110.3	V122 I126 S427 I428 E429 T433 T434 I435 L458	V122-I431 HydrophobicContact CG1-CG1 4.4Å; I126-I431 HydrophobicContact CD1-CD1 4.45Å; I126-I431 HydrophobicContact CD1-CG1 4.4Å; I126-I431 HydrophobicContact CG1-CD1 3.48Å; I126-I431 VanDerWaalsContact CG1-CD1 3.48Å; I126-I431 HydrophobicContact CG1-CG1 3.8Å; S427-I431 PolarHBondContact O-N 3.27Å; I428-I431 HydrophobicContact CD1-CD1 4.31Å; I428-I431 PolarHBondContact O-N 3.02Å; E429-I431 PolarHBondContact O-N 2.95Å; I431-T433 VanDerWaalsContact C-N 3.33Å; I431-T433 PolarHBondContact O-N 3.05Å; I431-T434 WeakPolarHBondContact O-CB 3.35Å; I431-T434 PolarHBondContact O-N 2.98Å; I431-T434 VanDerWaalsContact O-N 3.14Å; I431-I435 HydrophobicContact CG2-CD1 4.19Å; I431-I435 WeakPolarHBondContact O-CG1 3.44Å; I431-I435 PolarHBondContact O-N 3.36Å; I431-I435 VanDerWaalsContact O-N 3.08Å; I431-L458 HydrophobicContact CD1-CD1 4.2Å
432	T	94.8	Very high	93.5	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-67.1	-34.3	-177	55.6	0	0	0	0	112.3	I428 E429 T434 I435 Q436 T451	I428-T432 HydrophobicContact CG2-CG2 4.06Å; I428-T432 WeakPolarHBondContact O-CG2 3.48Å; I428-T432 PolarHBondContact O-N 3.45Å; I428-T432 PolarHBondContact O-OG1 3.35Å; E429-T432 WeakPolarHBondContact CA-OG1 3.08Å; E429-T432 PolarHBondContact O-N 2.93Å; E429-T432 PolarHBondContact O-OG1 3.11Å; T432-T434 VanDerWaalsContact C-N 3.33Å; T432-T434 PolarHBondContact O-N 2.89Å; T432-I435 PolarHBondContact O-N 2.87Å; T432-Q436 WeakPolarHBondContact O-CB 3.48Å; T432-Q436 PolarHBondContact O-N 2.99Å; T432-T451 HydrophobicContact CG2-CG2 4.43Å
433	T	94.7	Very high	93.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-42.5	171.6	-62.3	0	0	0	0	111.2	A332 Y336 E429 I431 I435 Q436 D437	A332-T433 HydrophobicContact CB-CG2 4.23Å; Y336-T433 HydrophobicContact CE2-CG2 4.31Å; Y336-T433 PolarHBondContact OH-OG1 3.04Å; Y336-T433 VanDerWaalsContact OH-OG1 3.05Å; E429-T433 WeakPolarHBondContact O-CA 3.28Å; E429-T433 WeakPolarHBondContact O-CB 3.26Å; E429-T433 PolarHBondContact O-N 3.18Å; E429-T433 PolarHBondContact O-OG1 3.43Å; I431-T433 VanDerWaalsContact C-N 3.33Å; I431-T433 PolarHBondContact O-N 3.05Å; T433-I435 VanDerWaalsContact C-N 3.33Å; T433-I435 PolarHBondContact O-N 3.28Å; T433-Q436 WeakPolarHBondContact O-CB 3.47Å; T433-Q436 PolarHBondContact O-N 3.43Å; T433-D437 PolarHBondContact O-N 2.72Å
434	T	94.8	Very high	92.7	Very high	12 Å²	12	34.6 Å²	34.6	7%	0.074	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-42.4	176.6	-60.2	0	0	0	0	111.2	P104 V105 V122 T430 I431 T432 Q436 D437 L438	P104-T434 WeakPolarHBondContact CG-OG1 3.4Å; V105-T434 HydrophobicContact CB-CG2 4.05Å; V105-T434 HydrophobicContact CG2-CG2 3.53Å; V122-T434 HydrophobicContact CG2-CG2 4.33Å; V122-T434 WeakPolarHBondContact CG2-OG1 3.32Å; T430-T434 PolarHBondContact O-N 3.21Å; T430-T434 PolarHBondContact O-OG1 2.94Å; I431-T434 WeakPolarHBondContact O-CB 3.35Å; I431-T434 PolarHBondContact O-N 2.98Å; I431-T434 VanDerWaalsContact O-N 3.14Å; T432-T434 VanDerWaalsContact C-N 3.33Å; T432-T434 PolarHBondContact O-N 2.89Å; T434-Q436 VanDerWaalsContact C-N 3.33Å; T434-D437 PolarHBondContact O-N 3Å; T434-L438 HydrophobicContact CG2-CD1 4.36Å; T434-L438 WeakPolarHBondContact O-CG 3.41Å; T434-L438 PolarHBondContact O-N 3.19Å
435	I	93.8	Very high	92.3	Very high	49 Å²	49	43.4 Å²	43.4	25%	0.251	21%	0.212	S	C	.	.	H	α-helix	trans	-64.7	-39.8	175	-61.9	168.3	0	0	0	110.7	I431 T432 T433 D437 L438 F439 M443 I450	I431-I435 HydrophobicContact CG2-CD1 4.19Å; I431-I435 WeakPolarHBondContact O-CG1 3.44Å; I431-I435 PolarHBondContact O-N 3.36Å; I431-I435 VanDerWaalsContact O-N 3.08Å; T432-I435 PolarHBondContact O-N 2.87Å; T433-I435 VanDerWaalsContact C-N 3.33Å; T433-I435 PolarHBondContact O-N 3.28Å; I435-D437 VanDerWaalsContact C-N 3.34Å; I435-D437 PolarHBondContact O-N 3.32Å; I435-L438 PolarHBondContact O-N 2.88Å; I435-F439 HydrophobicContact CG2-CD2 4.47Å; I435-F439 PolarHBondContact O-N 2.85Å; I435-M443 HydrophobicContact CG2-CG 3.95Å; I435-M443 HydrophobicContact CG2-SD 3.97Å; I435-I450 HydrophobicContact CD1-CG2 4.25Å; I435-I450 HydrophobicContact CG2-CG2 4.49Å
436	Q	91.5	Very high	92	Very high	13 Å²	13	47 Å²	47	6%	0.061	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-39.2	178.6	-177.5	170	-46	0	0	112.8	R36 T432 T433 T434 P440 M443	R36-Q436 PolarHBondContact O-NE2 3.22Å; T432-Q436 WeakPolarHBondContact O-CB 3.48Å; T432-Q436 PolarHBondContact O-N 2.99Å; T433-Q436 WeakPolarHBondContact O-CB 3.47Å; T433-Q436 PolarHBondContact O-N 3.43Å; T434-Q436 VanDerWaalsContact C-N 3.33Å; Q436-P440 WeakPolarHBondContact O-CA 3.43Å; Q436-P440 WeakPolarHBondContact O-CB 3.32Å; Q436-P440 WeakPolarHBondContact O-CD 3.2Å; Q436-M443 HydrophobicContact CB-CB 4.17Å; Q436-M443 HydrophobicContact CB-CE 4.25Å; Q436-M443 HydrophobicContact CB-CG 4.01Å; Q436-M443 HydrophobicContact CG-CB 4.14Å
437	D	90.5	Very high	91.7	Very high	22 Å²	22	47.1 Å²	47.1	12%	0.118	23%	0.23	C	C	.	.	H	α-helix	trans	-71.5	-32.5	177.3	-67	-9.2	0	0	0	113.3	R36 G103 S106 T433 T434 I435	R36-D437 IonicContact CZ-OD1 3.49Å; R36-D437 IonicContact NH1-OD1 2.63Å; R36-D437 PolarHBondContact NH1-OD1 3.44Å; R36-D437 IonicContact NH2-OD1 3.4Å; R36-D437 PolarHBondContact NH2-OD1 3.32Å; G103-D437 VanDerWaalsContact CA-OD2 3.24Å; G103-D437 WeakPolarHBondContact CA-OD2 3.42Å; G103-D437 PolarHBondContact N-OD2 3.44Å; S106-D437 VanDerWaalsContact CB-OD2 3.31Å; S106-D437 WeakPolarHBondContact CB-OD2 3.28Å; S106-D437 WeakPolarHBondContact OG-CB 3.28Å; S106-D437 PolarHBondContact OG-OD2 3.22Å; T433-D437 PolarHBondContact O-N 2.72Å; T434-D437 PolarHBondContact O-N 3Å; I435-D437 VanDerWaalsContact C-N 3.34Å; I435-D437 PolarHBondContact O-N 3.32Å
438	L	89.4	Confident	91.5	Very high	96 Å²	96	49.4 Å²	49.4	50%	0.503	24%	0.243	S	C	.	.	H	α-helix	trans	-80.5	-37.6	-179.6	-67.2	174.7	0	0	0	111.9	T434 I435	T434-L438 HydrophobicContact CG2-CD1 4.36Å; T434-L438 WeakPolarHBondContact O-CG 3.41Å; T434-L438 PolarHBondContact O-N 3.19Å; I435-L438 PolarHBondContact O-N 2.88Å
439	F	90.6	Very high	91.4	Very high	124 Å²	124	52.5 Å²	52.5	54%	0.544	26%	0.263	S	S	.	.			trans	-133	63.4	-174.8	-55	-72.8	0	0	0	112.2	I435 K441 V442 M443	I435-F439 HydrophobicContact CG2-CD2 4.47Å; I435-F439 PolarHBondContact O-N 2.85Å; F439-K441 PolarHBondContact O-N 3.43Å; F439-V442 HydrophobicContact CB-CB 4.12Å; F439-V442 HydrophobicContact CB-CG2 4.2Å; F439-V442 PolarHBondContact O-N 2.93Å; F439-V442 VanDerWaalsContact O-N 3.16Å; F439-M443 PolarHBondContact O-N 2.88Å
440	P	87.6	Confident	91.3	Very high	63 Å²	63	54.3 Å²	54.3	41%	0.409	27%	0.272	S	S	.	.	H	α-helix	trans	-61.9	-42.1	-172.7	22.3	-33.4	0	0	0	113.1	Q436 V442 M443 K444	Q436-P440 WeakPolarHBondContact O-CA 3.43Å; Q436-P440 WeakPolarHBondContact O-CB 3.32Å; Q436-P440 WeakPolarHBondContact O-CD 3.2Å; P440-V442 VanDerWaalsContact C-N 3.28Å; P440-V442 PolarHBondContact O-N 3.4Å; P440-M443 PolarHBondContact O-N 2.92Å; P440-K444 WeakPolarHBondContact O-CB 3.27Å; P440-K444 PolarHBondContact O-N 3.32Å
441	K	86.7	Confident	91.2	Very high	146 Å²	146	54.5 Å²	54.5	64%	0.635	27%	0.273	S	S	*	.	H	α-helix	trans	-60.4	-37.6	178.1	-63.1	-178.5	-173.6	173.7	0	111.9	F439 D629	F439-K441 PolarHBondContact O-N 3.43Å; K441-D629 IonicContact NZ-OD2 2.9Å; K441-D629 PolarHBondContact NZ-OD2 3.07Å
442	V	89.2	Confident	91.1	Very high	72 Å²	72	58 Å²	58	44%	0.436	29%	0.292	S	S	.	.	H	α-helix	trans	-72.6	-48	178.7	-178.3	0	0	0	0	110	F439 P440 K444 K445 M446 I450	F439-V442 HydrophobicContact CB-CB 4.12Å; F439-V442 HydrophobicContact CB-CG2 4.2Å; F439-V442 PolarHBondContact O-N 2.93Å; F439-V442 VanDerWaalsContact O-N 3.16Å; P440-V442 VanDerWaalsContact C-N 3.28Å; P440-V442 PolarHBondContact O-N 3.4Å; V442-K444 VanDerWaalsContact C-N 3.29Å; V442-K444 PolarHBondContact O-N 3.25Å; V442-K445 PolarHBondContact O-N 3.15Å; V442-K445 VanDerWaalsContact O-N 3.14Å; V442-M446 HydrophobicContact CG1-CB 4.24Å; V442-M446 HydrophobicContact CG1-CG 4.38Å; V442-M446 WeakPolarHBondContact O-CB 3.23Å; V442-M446 PolarHBondContact O-N 3.23Å; V442-I450 HydrophobicContact CG1-CD1 3.84Å
443	M	88.5	Confident	91.1	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.02	31%	0.307	C	S	.	.	H	α-helix	trans	-62.2	-36.5	179.4	-79.4	-65.5	-73.9	0	0	112.4	I435 Q436 F439 P440 K445 M446 R447 I450	I435-M443 HydrophobicContact CG2-CG 3.95Å; I435-M443 HydrophobicContact CG2-SD 3.97Å; Q436-M443 HydrophobicContact CB-CB 4.17Å; Q436-M443 HydrophobicContact CB-CE 4.25Å; Q436-M443 HydrophobicContact CB-CG 4.01Å; Q436-M443 HydrophobicContact CG-CB 4.14Å; F439-M443 PolarHBondContact O-N 2.88Å; P440-M443 PolarHBondContact O-N 2.92Å; M443-K445 PolarHBondContact O-N 3.31Å; M443-M446 PolarHBondContact O-N 3.18Å; M443-R447 HydrophobicContact CE-CB 4.04Å; M443-R447 HydrophobicContact CE-CG 3.78Å; M443-R447 WeakPolarHBondContact O-CB 3.41Å; M443-R447 PolarHBondContact O-N 3.09Å; M443-R447 HydrophobicContact SD-CB 4.45Å; M443-I450 HydrophobicContact CG-CD1 4.42Å; M443-I450 HydrophobicContact SD-CB 4.01Å; M443-I450 HydrophobicContact SD-CD1 3.52Å; M443-I450 VanDerWaalsContact SD-CD1 3.52Å; M443-I450 HydrophobicContact SD-CG1 4.36Å; M443-I450 HydrophobicContact SD-CG2 3.75Å
444	K	84.3	Confident	91.2	Very high	90 Å²	90	60.6 Å²	60.6	39%	0.391	32%	0.315	S	S	.	.	H	α-helix	trans	-54.4	-38.3	174.7	-165.9	163.8	-170.7	163.8	0	112.9	N24 D35 P440 V442	N24-K444 WeakPolarHBondContact ND2-CE 3.4Å; N24-K444 WeakPolarHBondContact OD1-CG 3.4Å; N24-K444 PolarHBondContact OD1-O 3.08Å; D35-K444 IonicContact OD1-NZ 2.77Å; D35-K444 PolarHBondContact OD1-NZ 3.08Å; D35-K444 VanDerWaalsContact OD1-NZ 3.12Å; P440-K444 WeakPolarHBondContact O-CB 3.27Å; P440-K444 PolarHBondContact O-N 3.32Å; V442-K444 VanDerWaalsContact C-N 3.29Å; V442-K444 PolarHBondContact O-N 3.25Å
445	K	88.3	Confident	91.3	Very high	184 Å²	184	60.3 Å²	60.3	80%	0.8	31%	0.313	S	S	*	.	H	α-helix	trans	-94.7	-34	-179.4	-172.8	177.4	177.8	-178.5	0	114.2	V442 M443	V442-K445 PolarHBondContact O-N 3.15Å; V442-K445 VanDerWaalsContact O-N 3.14Å; M443-K445 PolarHBondContact O-N 3.31Å
446	M	90.9	Very high	91.5	Very high	82 Å²	82	62.7 Å²	62.7	40%	0.404	33%	0.326	S	S	.	.	H	α-helix	trans	-119	14.2	-164.5	-61.8	-65.2	-70.4	0	0	113.7	V442 M443 V448 P449 I450	V442-M446 HydrophobicContact CG1-CB 4.24Å; V442-M446 HydrophobicContact CG1-CG 4.38Å; V442-M446 WeakPolarHBondContact O-CB 3.23Å; V442-M446 PolarHBondContact O-N 3.23Å; M443-M446 PolarHBondContact O-N 3.18Å; M446-V448 PolarHBondContact O-N 3.5Å; M446-P449 HydrophobicContact CB-CG 4.19Å; M446-P449 HydrophobicContact CE-CB 4.33Å; M446-P449 HydrophobicContact CE-CG 3.67Å; M446-P449 WeakPolarHBondContact O-CD 3.36Å; M446-P449 VanDerWaalsContact O-CG 3.28Å; M446-P449 WeakPolarHBondContact O-CG 3.36Å; M446-P449 HydrophobicContact SD-CG 4.18Å; M446-I450 HydrophobicContact CB-CD1 3.75Å; M446-I450 HydrophobicContact CB-CG1 4.14Å; M446-I450 WeakPolarHBondContact O-CB 3.4Å; M446-I450 VanDerWaalsContact O-CG1 3.23Å; M446-I450 WeakPolarHBondContact O-CG1 3.24Å; M446-I450 PolarHBondContact O-N 3.23Å
447	R	88.9	Confident	91.8	Very high	7 Å²	7	66.1 Å²	66.1	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-55.8	-44.7	-175.9	175.3	158.4	-176	165.9	13.4	114	H26 E429 M443 I450 T451	H26-R447 WeakPolarHBondContact CE1-CD 3.32Å; H26-R447 VanDerWaalsContact CE1-CG 3.44Å; H26-R447 WeakPolarHBondContact CE1-CG 3.14Å; H26-R447 WeakPolarHBondContact ND1-CD 3.41Å; H26-R447 WeakPolarHBondContact NE2-CB 3.14Å; H26-R447 WeakPolarHBondContact NE2-CD 3.42Å; H26-R447 WeakPolarHBondContact NE2-CG 3.44Å; E429-R447 IonicContact OE1-CZ 3.48Å; E429-R447 IonicContact OE1-NH2 3.44Å; E429-R447 PolarHBondContact OE1-NH2 3.5Å; E429-R447 IonicContact OE2-NH2 2.67Å; E429-R447 PolarHBondContact OE2-NH2 3.37Å; M443-R447 HydrophobicContact CE-CB 4.04Å; M443-R447 HydrophobicContact CE-CG 3.78Å; M443-R447 WeakPolarHBondContact O-CB 3.41Å; M443-R447 PolarHBondContact O-N 3.09Å; M443-R447 HydrophobicContact SD-CB 4.45Å; R447-I450 PolarHBondContact O-N 3.29Å; R447-T451 WeakPolarHBondContact O-CB 3.38Å; R447-T451 PolarHBondContact O-N 3.45Å; R447-T451 PolarHBondContact O-OG1 3.27Å
448	V	91.9	Very high	92.1	Very high	56 Å²	56	65.4 Å²	65.4	34%	0.339	34%	0.343	S	S	.	.	H	α-helix	trans	-58.4	-59.5	177.5	176.9	0	0	0	0	111.2	F255 M446 I450 T451 L452	F255-V448 VanDerWaalsContact O-CG2 3.31Å; F255-V448 WeakPolarHBondContact O-CG2 3.41Å; M446-V448 PolarHBondContact O-N 3.5Å; V448-I450 VanDerWaalsContact C-N 3.29Å; V448-I450 PolarHBondContact O-N 3.49Å; V448-T451 PolarHBondContact O-N 2.93Å; V448-L452 HydrophobicContact CG1-CD1 4.02Å; V448-L452 WeakPolarHBondContact O-CG 3.31Å; V448-L452 PolarHBondContact O-N 3.23Å
449	P	94	Very high	92.5	Very high	65 Å²	65	62.1 Å²	62.1	42%	0.422	33%	0.325	S	S	.	.	H	α-helix	trans	-63.4	-31.3	179.7	19.5	-29.6	0	0	0	113.6	M446 G453	M446-P449 HydrophobicContact CB-CG 4.19Å; M446-P449 HydrophobicContact CE-CB 4.33Å; M446-P449 HydrophobicContact CE-CG 3.67Å; M446-P449 WeakPolarHBondContact O-CD 3.36Å; M446-P449 VanDerWaalsContact O-CG 3.28Å; M446-P449 WeakPolarHBondContact O-CG 3.36Å; M446-P449 HydrophobicContact SD-CG 4.18Å; P449-G453 PolarHBondContact O-N 3.49Å
450	I	94.2	Very high	92.9	Very high	42 Å²	42	61 Å²	61	22%	0.215	33%	0.325	C	S	.	.	H	α-helix	trans	-66.6	-43.6	174.4	-70.8	169.1	0	0	0	111.1	I435 V442 M443 M446 R447 V448 G453 C454	I435-I450 HydrophobicContact CD1-CG2 4.25Å; I435-I450 HydrophobicContact CG2-CG2 4.49Å; V442-I450 HydrophobicContact CG1-CD1 3.84Å; M443-I450 HydrophobicContact CG-CD1 4.42Å; M443-I450 HydrophobicContact SD-CB 4.01Å; M443-I450 HydrophobicContact SD-CD1 3.52Å; M443-I450 VanDerWaalsContact SD-CD1 3.52Å; M443-I450 HydrophobicContact SD-CG1 4.36Å; M443-I450 HydrophobicContact SD-CG2 3.75Å; M446-I450 HydrophobicContact CB-CD1 3.75Å; M446-I450 HydrophobicContact CB-CG1 4.14Å; M446-I450 WeakPolarHBondContact O-CB 3.4Å; M446-I450 VanDerWaalsContact O-CG1 3.23Å; M446-I450 WeakPolarHBondContact O-CG1 3.24Å; M446-I450 PolarHBondContact O-N 3.23Å; R447-I450 PolarHBondContact O-N 3.29Å; V448-I450 VanDerWaalsContact C-N 3.29Å; V448-I450 PolarHBondContact O-N 3.49Å; I450-G453 PolarHBondContact O-N 2.96Å; I450-C454 WeakPolarHBondContact O-CB 3.27Å; I450-C454 PolarHBondContact O-N 3.42Å
451	T	93.4	Very high	93.4	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.018	33%	0.327	C	S	.	.	H	α-helix	trans	-65.4	-45.5	179.4	-54.5	0	0	0	0	110.8	L254 I428 T432 R447 V448 C454 C455	L254-T451 HydrophobicContact CB-CG2 4.01Å; I428-T451 HydrophobicContact CG2-CG2 4.23Å; T432-T451 HydrophobicContact CG2-CG2 4.43Å; R447-T451 WeakPolarHBondContact O-CB 3.38Å; R447-T451 PolarHBondContact O-N 3.45Å; R447-T451 PolarHBondContact O-OG1 3.27Å; V448-T451 PolarHBondContact O-N 2.93Å; T451-C454 WeakPolarHBondContact O-CB 3.4Å; T451-C454 PolarHBondContact O-N 2.9Å; T451-C455 PolarHBondContact O-N 3.4Å; T451-C455 PolarHBondContact O-SG 2.92Å
452	L	94.8	Very high	93.9	Very high	88 Å²	88	55.3 Å²	55.3	46%	0.461	30%	0.297	S	S	.	.	H	α-helix	trans	-65.7	-39.8	176.1	-65.4	178.4	0	0	0	112.2	V448 C455 L456	V448-L452 HydrophobicContact CG1-CD1 4.02Å; V448-L452 WeakPolarHBondContact O-CG 3.31Å; V448-L452 PolarHBondContact O-N 3.23Å; L452-C455 PolarHBondContact O-N 3.1Å; L452-L456 WeakPolarHBondContact O-CB 3.35Å; L452-L456 PolarHBondContact O-N 3.12Å
453	G	95.8	Very high	94.3	Very high	32 Å²	32	53.6 Å²	53.6	33%	0.33	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-40.4	173.8	0	0	0	0	0	112.5	P449 I450 L456 V457	P449-G453 PolarHBondContact O-N 3.49Å; I450-G453 PolarHBondContact O-N 2.96Å; G453-L456 PolarHBondContact O-N 3.31Å; G453-V457 WeakPolarHBondContact O-CG2 3.45Å; G453-V457 PolarHBondContact O-N 3.26Å
454	C	95.8	Very high	94.7	Very high	22 Å²	22	56 Å²	56	15%	0.149	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-46.9	173.8	-175.9	0	0	0	0	111.3	I450 T451 L456 V457 L458	I450-C454 WeakPolarHBondContact O-CB 3.27Å; I450-C454 PolarHBondContact O-N 3.42Å; T451-C454 WeakPolarHBondContact O-CB 3.4Å; T451-C454 PolarHBondContact O-N 2.9Å; C454-L456 VanDerWaalsContact C-N 3.31Å; C454-L456 PolarHBondContact O-N 3.04Å; C454-V457 PolarHBondContact O-N 3.48Å; C454-L458 VanDerWaalsContact O-CG 3.31Å; C454-L458 WeakPolarHBondContact O-CG 3.47Å; C454-L458 PolarHBondContact O-N 3.46Å
455	C	97.4	Very high	95.3	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-41.8	174.8	-64.5	0	0	0	0	111.9	W247 T451 L452 L458 F459	W247-C455 HydrophobicContact CD2-CB 4.4Å; W247-C455 HydrophobicContact CE3-CB 3.56Å; W247-C455 HydrophobicContact CZ3-CB 4.06Å; T451-C455 PolarHBondContact O-N 3.4Å; T451-C455 PolarHBondContact O-SG 2.92Å; L452-C455 PolarHBondContact O-N 3.1Å; C455-L458 PolarHBondContact O-N 2.91Å; C455-F459 VanDerWaalsContact O-CB 3.3Å; C455-F459 WeakPolarHBondContact O-CB 3.47Å; C455-F459 PolarHBondContact O-N 3.34Å
456	L	97.7	Very high	95.7	Very high	100 Å²	100	43 Å²	43	52%	0.524	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-44.4	177.9	179.4	63.7	0	0	0	112.2	L452 G453 C454 F459 L460	L452-L456 WeakPolarHBondContact O-CB 3.35Å; L452-L456 PolarHBondContact O-N 3.12Å; G453-L456 PolarHBondContact O-N 3.31Å; C454-L456 VanDerWaalsContact C-N 3.31Å; C454-L456 PolarHBondContact O-N 3.04Å; L456-F459 HydrophobicContact CD1-CD1 4.31Å; L456-F459 WeakPolarHBondContact O-CB 3.34Å; L456-F459 PolarHBondContact O-N 2.97Å; L456-L460 WeakPolarHBondContact O-CG 3.45Å; L456-L460 PolarHBondContact O-N 3.03Å
457	V	97.9	Very high	96.1	Very high	85 Å²	85	39.7 Å²	39.7	52%	0.515	23%	0.228	S	C	.	.	H	α-helix	trans	-62.3	-45.7	177	170.2	0	0	0	0	110.5	G453 C454 F459 L460 L461	G453-V457 WeakPolarHBondContact O-CG2 3.45Å; G453-V457 PolarHBondContact O-N 3.26Å; C454-V457 PolarHBondContact O-N 3.48Å; V457-F459 VanDerWaalsContact C-N 3.34Å; V457-F459 PolarHBondContact O-N 3.45Å; V457-L460 PolarHBondContact O-N 2.9Å; V457-L461 HydrophobicContact CG1-CD1 4.13Å; V457-L461 WeakPolarHBondContact O-CG 3.48Å; V457-L461 PolarHBondContact O-N 2.94Å
458	L	97.6	Very high	96.5	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-31.2	179.7	-64.5	170.9	0	0	0	112.5	I126 T129 I130 W247 I428 I431 C454 C455 L461 G462	I126-L458 HydrophobicContact CG2-CD2 3.96Å; T129-L458 HydrophobicContact CG2-CD1 4.08Å; I130-L458 HydrophobicContact CD1-CD2 4.42Å; I130-L458 HydrophobicContact CG1-CD2 3.91Å; W247-L458 HydrophobicContact CH2-CB 3.33Å; W247-L458 HydrophobicContact CH2-CD1 3.53Å; W247-L458 HydrophobicContact CH2-CG 4.06Å; W247-L458 HydrophobicContact CZ2-CB 3.29Å; W247-L458 HydrophobicContact CZ2-CD1 4.33Å; W247-L458 HydrophobicContact CZ2-CG 4.42Å; W247-L458 HydrophobicContact CZ3-CB 4.13Å; W247-L458 HydrophobicContact CZ3-CD1 4.13Å; I428-L458 HydrophobicContact CD1-CD1 3.42Å; I428-L458 VanDerWaalsContact CD1-CD1 3.42Å; I431-L458 HydrophobicContact CD1-CD1 4.2Å; C454-L458 VanDerWaalsContact O-CG 3.31Å; C454-L458 WeakPolarHBondContact O-CG 3.47Å; C454-L458 PolarHBondContact O-N 3.46Å; C455-L458 PolarHBondContact O-N 2.91Å; L458-L461 HydrophobicContact CD2-CD1 4.4Å; L458-G462 PolarHBondContact O-N 2.99Å
459	F	98.2	Very high	96.7	Very high	28 Å²	28	39.1 Å²	39.1	12%	0.123	22%	0.222	C	C	.	.	H	α-helix	trans	-58.9	-51	167.9	166.2	-105.6	0	0	0	111.7	L243 L244 W247 C455 L456 V457 L461 G462 L463	L243-F459 HydrophobicContact CB-CE2 4.43Å; L243-F459 HydrophobicContact CD2-CD2 4.18Å; L243-F459 HydrophobicContact CD2-CE2 4.35Å; L243-F459 HydrophobicContact CG-CD2 3.96Å; L243-F459 HydrophobicContact CG-CE2 4.24Å; L244-F459 HydrophobicContact CB-CD2 4.3Å; L244-F459 HydrophobicContact CB-CE2 3.63Å; L244-F459 HydrophobicContact CB-CZ 4.01Å; L244-F459 HydrophobicContact CD1-CD1 4.43Å; L244-F459 HydrophobicContact CD1-CD2 4.32Å; L244-F459 HydrophobicContact CD1-CE1 4.2Å; L244-F459 HydrophobicContact CD1-CE2 4.11Å; L244-F459 HydrophobicContact CD1-CG 4.48Å; L244-F459 HydrophobicContact CD1-CZ 4.03Å; L244-F459 HydrophobicContact CG-CE2 4.46Å; W247-F459 HydrophobicContact CB-CB 4.4Å; W247-F459 VanDerWaalsContact CD1-CB 3.5Å; W247-F459 AromaticContact CD1-CD2 3.77Å; W247-F459 HydrophobicContact CD2-CB 4.45Å; W247-F459 HydrophobicContact CG-CB 3.86Å; C455-F459 VanDerWaalsContact O-CB 3.3Å; C455-F459 WeakPolarHBondContact O-CB 3.47Å; C455-F459 PolarHBondContact O-N 3.34Å; L456-F459 HydrophobicContact CD1-CD1 4.31Å; L456-F459 WeakPolarHBondContact O-CB 3.34Å; L456-F459 PolarHBondContact O-N 2.97Å; V457-F459 VanDerWaalsContact C-N 3.34Å; V457-F459 PolarHBondContact O-N 3.45Å; F459-L461 VanDerWaalsContact C-N 3.33Å; F459-L461 PolarHBondContact O-N 2.79Å; F459-G462 WeakPolarHBondContact O-CA 3.11Å; F459-G462 PolarHBondContact O-N 3.47Å; F459-G462 VanDerWaalsContact O-N 3.07Å; F459-L463 HydrophobicContact CE1-CD2 4.44Å; F459-L463 HydrophobicContact CE2-CD2 4.01Å; F459-L463 HydrophobicContact CZ-CD2 3.84Å; F459-L463 HydrophobicContact CZ-CG 4.48Å; F459-L463 PolarHBondContact O-N 3.38Å
460	L	98.3	Very high	96.8	Very high	101 Å²	101	36 Å²	36	53%	0.529	20%	0.202	S	C	.	.	H	α-helix	trans	-62.2	-41	-179.5	-68.2	173.3	0	0	0	111.7	L456 V457 G462 L463	L456-L460 WeakPolarHBondContact O-CG 3.45Å; L456-L460 PolarHBondContact O-N 3.03Å; V457-L460 PolarHBondContact O-N 2.9Å; L460-G462 VanDerWaalsContact C-N 3.3Å; L460-G462 PolarHBondContact O-N 2.99Å; L460-L463 HydrophobicContact CD2-CD1 4.09Å; L460-L463 WeakPolarHBondContact O-CB 3.37Å; L460-L463 PolarHBondContact O-N 2.87Å
461	L	97.2	Very high	96.8	Very high	89 Å²	89	34 Å²	34	47%	0.466	19%	0.192	S	C	.	.	H	α-helix	trans	-65.2	-34.1	174.1	-66.8	174.2	0	0	0	112.2	I130 V457 L458 F459 L463 V464	I130-L461 HydrophobicContact CD1-CB 3.96Å; I130-L461 HydrophobicContact CD1-CD1 4.01Å; I130-L461 HydrophobicContact CG1-CB 4.25Å; V457-L461 HydrophobicContact CG1-CD1 4.13Å; V457-L461 WeakPolarHBondContact O-CG 3.48Å; V457-L461 PolarHBondContact O-N 2.94Å; L458-L461 HydrophobicContact CD2-CD1 4.4Å; F459-L461 VanDerWaalsContact C-N 3.33Å; F459-L461 PolarHBondContact O-N 2.79Å; L461-L463 VanDerWaalsContact C-N 3.28Å; L461-L463 PolarHBondContact O-N 3.04Å; L461-V464 WeakPolarHBondContact O-CG1 3.23Å
462	G	97.3	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.3	-14.9	177.1	0	0	0	0	0	114.8	L458 F459 L460 V464 C465	L458-G462 PolarHBondContact O-N 2.99Å; F459-G462 WeakPolarHBondContact O-CA 3.11Å; F459-G462 PolarHBondContact O-N 3.47Å; F459-G462 VanDerWaalsContact O-N 3.07Å; L460-G462 VanDerWaalsContact C-N 3.3Å; L460-G462 PolarHBondContact O-N 2.99Å; G462-V464 PolarHBondContact O-N 3.09Å; G462-C465 WeakPolarHBondContact O-CB 3.35Å; G462-C465 PolarHBondContact O-N 3.45Å
463	L	98	Very high	96.8	Very high	36 Å²	36	31.3 Å²	31.3	19%	0.188	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-59.8	-32.4	-179.7	-71.2	177.4	0	0	0	112.9	I235 A240 F459 L460 L461 C465 V466	I235-L463 HydrophobicContact CD1-CB 4.35Å; A240-L463 HydrophobicContact CB-CD2 4.08Å; F459-L463 HydrophobicContact CE1-CD2 4.44Å; F459-L463 HydrophobicContact CE2-CD2 4.01Å; F459-L463 HydrophobicContact CZ-CD2 3.84Å; F459-L463 HydrophobicContact CZ-CG 4.48Å; F459-L463 PolarHBondContact O-N 3.38Å; L460-L463 HydrophobicContact CD2-CD1 4.09Å; L460-L463 WeakPolarHBondContact O-CB 3.37Å; L460-L463 PolarHBondContact O-N 2.87Å; L461-L463 VanDerWaalsContact C-N 3.28Å; L461-L463 PolarHBondContact O-N 3.04Å; L463-C465 PolarHBondContact O-N 3.5Å; L463-V466 HydrophobicContact CD2-CG2 4.28Å; L463-V466 VanDerWaalsContact O-CG2 3.24Å; L463-V466 WeakPolarHBondContact O-CG2 3.2Å; L463-V466 PolarHBondContact O-N 3.29Å
464	V	96.5	Very high	96.8	Very high	54 Å²	54	29.8 Å²	29.8	33%	0.327	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-62.3	-32.5	175.8	73.9	0	0	0	0	112.1	L461 G462 V466 T467 W473	L461-V464 WeakPolarHBondContact O-CG1 3.23Å; G462-V464 PolarHBondContact O-N 3.09Å; V464-V466 VanDerWaalsContact C-N 3.29Å; V464-V466 PolarHBondContact O-N 3.25Å; V464-T467 WeakPolarHBondContact O-CG2 3.35Å; V464-T467 PolarHBondContact O-N 3.37Å; V464-T467 PolarHBondContact O-OG1 2.86Å; V464-W473 HydrophobicContact CG2-CD2 4.07Å; V464-W473 HydrophobicContact CG2-CG 4.2Å; V464-W473 HydrophobicContact CG2-CZ2 4.27Å
465	C	97.2	Very high	96.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-81	-6.2	-178.4	-67	0	0	0	0	113.4	V134 Y138 G462 L463 G470 V474	V134-C465 HydrophobicContact CB-CB 4.41Å; V134-C465 HydrophobicContact CG1-CB 4.31Å; V134-C465 HydrophobicContact CG2-CB 3.69Å; Y138-C465 PolarHBondContact OH-O 3.07Å; G462-C465 WeakPolarHBondContact O-CB 3.35Å; G462-C465 PolarHBondContact O-N 3.45Å; L463-C465 PolarHBondContact O-N 3.5Å; C465-G470 VanDerWaalsContact C-CA 3.48Å; C465-G470 CarbonylContact O-C 3.6Å; C465-G470 WeakPolarHBondContact O-CA 3.28Å; C465-V474 HydrophobicContact CB-CG2 3.82Å
466	V	97.8	Very high	96.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-114.5	21.1	172.8	-64.5	0	0	0	0	112.2	V134 I235 V236 L239 A240 L243 L463 V464	V134-V466 HydrophobicContact CG1-CG1 3.72Å; V134-V466 HydrophobicContact CG2-CG1 4.17Å; I235-V466 HydrophobicContact CG2-CG2 4.34Å; V236-V466 WeakPolarHBondContact CB-O 3.14Å; V236-V466 PolarHBondContact N-O 3.09Å; L239-V466 HydrophobicContact CB-CB 3.97Å; L239-V466 HydrophobicContact CB-CG1 4.05Å; A240-V466 HydrophobicContact CB-CG2 4.21Å; L243-V466 HydrophobicContact CB-CG1 4.48Å; L243-V466 HydrophobicContact CD2-CG1 4.09Å; L243-V466 HydrophobicContact CD2-CG2 4.16Å; L463-V466 HydrophobicContact CD2-CG2 4.28Å; L463-V466 VanDerWaalsContact O-CG2 3.24Å; L463-V466 WeakPolarHBondContact O-CG2 3.2Å; L463-V466 PolarHBondContact O-N 3.29Å; V464-V466 VanDerWaalsContact C-N 3.29Å; V464-V466 PolarHBondContact O-N 3.25Å
467	T	97.9	Very high	96	Very high	12 Å²	12	25.9 Å²	25.9	7%	0.074	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-77.9	174.7	165.2	60.6	0	0	0	0	110.9	T232 V234 I235 V464 A469 G470	T232-T467 HydrophobicContact CG2-CG2 3.94Å; T232-T467 WeakPolarHBondContact O-CB 3.2Å; V234-T467 CarbonylContact O-C 3.56Å; V234-T467 VanDerWaalsContact O-CA 3.3Å; V234-T467 WeakPolarHBondContact O-CA 3.43Å; I235-T467 HydrophobicContact CG1-CG2 4Å; V464-T467 WeakPolarHBondContact O-CG2 3.35Å; V464-T467 PolarHBondContact O-N 3.37Å; V464-T467 PolarHBondContact O-OG1 2.86Å; T467-A469 PolarHBondContact O-N 3.32Å; T467-G470 WeakPolarHBondContact O-CA 3.48Å; T467-G470 PolarHBondContact O-N 3.1Å; T467-G470 PolarHBondContact OG1-N 3.28Å
468	Q	97.3	Very high	95.5	Very high	51 Å²	51	24.1 Å²	24.1	24%	0.238	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.1	173.1	-65.9	178.3	-55.6	0	0	112.4	Q224 R225 S226 T232 G233 V234 V236 G470	Q224-Q468 HydrophobicContact CB-CG 4.16Å; Q224-Q468 WeakPolarHBondContact O-CB 3.31Å; Q224-Q468 WeakPolarHBondContact O-CG 3.45Å; R225-Q468 WeakPolarHBondContact CA-O 3.39Å; S226-Q468 PolarHBondContact N-O 3.31Å; T232-Q468 PolarHBondContact O-N 3.29Å; G233-Q468 VanDerWaalsContact CA-OE1 3.26Å; V234-Q468 HydrophobicContact CG2-CG 4.38Å; V234-Q468 VanDerWaalsContact N-OE1 3.14Å; V234-Q468 PolarHBondContact O-N 3.02Å; V234-Q468 VanDerWaalsContact O-N 3.09Å; V236-Q468 HydrophobicContact CG2-CG 4.14Å; Q468-G470 VanDerWaalsContact C-N 3.31Å
469	A	96	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	6.2	168.8	0	0	0	0	0	114	S226 T232 T467 I471 Y472 W473	S226-A469 WeakPolarHBondContact OG-CA 3.36Å; S226-A469 WeakPolarHBondContact OG-CB 3.18Å; T232-A469 PolarHBondContact O-N 2.98Å; T467-A469 PolarHBondContact O-N 3.32Å; A469-I471 VanDerWaalsContact C-N 3.3Å; A469-I471 PolarHBondContact O-N 3.46Å; A469-Y472 HydrophobicContact CB-CD2 4Å; A469-Y472 WeakPolarHBondContact O-CB 3.29Å; A469-Y472 WeakPolarHBondContact O-CD2 3.46Å; A469-Y472 PolarHBondContact O-N 3.06Å; A469-W473 PolarHBondContact O-N 3.35Å
470	G	96	Very high	94.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.4	-39.2	-167.9	0	0	0	0	0	114.1	C465 T467 Q468 Y472 W473 V474	C465-G470 VanDerWaalsContact C-CA 3.48Å; C465-G470 CarbonylContact O-C 3.6Å; C465-G470 WeakPolarHBondContact O-CA 3.28Å; T467-G470 WeakPolarHBondContact O-CA 3.48Å; T467-G470 PolarHBondContact O-N 3.1Å; T467-G470 PolarHBondContact OG1-N 3.28Å; Q468-G470 VanDerWaalsContact C-N 3.31Å; G470-Y472 VanDerWaalsContact C-N 3.28Å; G470-Y472 PolarHBondContact O-N 3.42Å; G470-W473 WeakPolarHBondContact O-CB 3.22Å; G470-W473 PolarHBondContact O-N 3.21Å; G470-W473 VanDerWaalsContact O-N 3.09Å; G470-V474 WeakPolarHBondContact O-CG2 3.27Å; G470-V474 PolarHBondContact O-N 2.92Å
471	I	94.3	Very high	93.7	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-63.7	-32.6	178.1	-166.6	59	0	0	0	112.8	Y138 W218 L223 R225 F388 A469 W473 V474 H475 Y553	Y138-I471 HydrophobicContact CE2-CD1 4.4Å; W218-I471 HydrophobicContact CZ2-CD1 4.17Å; L223-I471 HydrophobicContact CD1-CB 3.89Å; L223-I471 HydrophobicContact CD1-CG1 4.14Å; L223-I471 HydrophobicContact CD1-CG2 4.04Å; R225-I471 HydrophobicContact CG-CG2 3.95Å; F388-I471 HydrophobicContact CD2-CD1 4.31Å; F388-I471 HydrophobicContact CG-CD1 4.49Å; A469-I471 VanDerWaalsContact C-N 3.3Å; A469-I471 PolarHBondContact O-N 3.46Å; I471-W473 VanDerWaalsContact C-N 3.35Å; I471-V474 PolarHBondContact O-N 3.35Å; I471-H475 WeakPolarHBondContact O-CB 3.49Å; I471-H475 PolarHBondContact O-N 3.02Å; I471-Y553 HydrophobicContact CD1-CE2 4.46Å; I471-Y553 HydrophobicContact CG1-CE1 3.86Å; I471-Y553 HydrophobicContact CG1-CE2 3.77Å; I471-Y553 WeakPolarHBondContact CG1-OH 3.44Å; I471-Y553 HydrophobicContact CG2-CD1 4.3Å; I471-Y553 HydrophobicContact CG2-CE1 3.81Å
472	Y	94.6	Very high	92.4	Very high	3 Å²	3	16.6 Å²	16.6	1%	0.012	8%	0.083	C	C	.	.	H	α-helix	trans	-68.2	-37.5	175	-55.9	-71	0	0	0	110.9	R225 S226 A469 G470 L476 Y553 I556 Y558	R225-Y472 HydrophobicContact CG-CE2 4.19Å; S226-Y472 PolarHBondContact O-OH 3.27Å; A469-Y472 HydrophobicContact CB-CD2 4Å; A469-Y472 WeakPolarHBondContact O-CB 3.29Å; A469-Y472 WeakPolarHBondContact O-CD2 3.46Å; A469-Y472 PolarHBondContact O-N 3.06Å; G470-Y472 VanDerWaalsContact C-N 3.28Å; G470-Y472 PolarHBondContact O-N 3.42Å; Y472-L476 WeakPolarHBondContact O-CB 3.28Å; Y472-L476 PolarHBondContact O-N 3.15Å; Y472-Y553 AromaticContact CD1-CD1 3.97Å; Y472-Y553 HydrophobicContact CD1-CD1 3.97Å; Y472-Y553 HydrophobicContact CD1-CG 4.11Å; Y472-Y553 AromaticContact CE1-CD1 3.62Å; Y472-Y553 HydrophobicContact CE1-CD1 3.62Å; Y472-Y553 HydrophobicContact CE1-CG 4.14Å; Y472-I556 HydrophobicContact CE1-CB 4.47Å; Y472-I556 HydrophobicContact CE1-CD1 4.4Å; Y472-I556 HydrophobicContact CE1-CG2 4.3Å; Y472-I556 WeakPolarHBondContact OH-CD1 3.4Å; Y472-Y558 WeakPolarHBondContact CA-OH 3.36Å; Y472-Y558 WeakPolarHBondContact O-CE1 3.39Å; Y472-Y558 PolarHBondContact O-OH 3.4Å
473	W	94.9	Very high	91.3	Very high	30 Å²	30	17.1 Å²	17.1	11%	0.114	9%	0.089	C	C	.	.	H	α-helix	trans	-64.9	-48.8	173.8	-72.4	106.3	0	0	0	112	M229 V464 A469 G470 I471 H475 L476 I477 W561 L565 M569	M229-W473 HydrophobicContact CE-CD2 3.97Å; M229-W473 HydrophobicContact CE-CE3 3.79Å; M229-W473 HydrophobicContact CE-CH2 3.48Å; M229-W473 VanDerWaalsContact CE-CH2 3.48Å; M229-W473 HydrophobicContact CE-CZ2 3.66Å; M229-W473 HydrophobicContact CE-CZ3 3.54Å; V464-W473 HydrophobicContact CG2-CD2 4.07Å; V464-W473 HydrophobicContact CG2-CG 4.2Å; V464-W473 HydrophobicContact CG2-CZ2 4.27Å; A469-W473 PolarHBondContact O-N 3.35Å; G470-W473 WeakPolarHBondContact O-CB 3.22Å; G470-W473 PolarHBondContact O-N 3.21Å; G470-W473 VanDerWaalsContact O-N 3.09Å; I471-W473 VanDerWaalsContact C-N 3.35Å; W473-H475 VanDerWaalsContact C-N 3.33Å; W473-H475 PolarHBondContact O-N 3.3Å; W473-L476 PolarHBondContact O-N 3.26Å; W473-I477 VanDerWaalsContact O-CG1 3.29Å; W473-I477 WeakPolarHBondContact O-CG1 3.25Å; W473-I477 PolarHBondContact O-N 3.45Å; W473-W561 HydrophobicContact CH2-CH2 4.35Å; W473-W561 HydrophobicContact CH2-CZ3 4.14Å; W473-W561 HydrophobicContact CZ2-CH2 4.25Å; W473-W561 HydrophobicContact CZ2-CZ3 4.48Å; W473-L565 HydrophobicContact CH2-CD2 3.66Å; W473-L565 HydrophobicContact CZ3-CD2 3.53Å; W473-M569 HydrophobicContact CZ3-CE 4.25Å
474	V	94.1	Very high	90.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-54.3	-51.6	176.6	169.7	0	0	0	0	110.4	Y131 V134 F388 C465 G470 I471 L476 I477 D478	Y131-V474 HydrophobicContact CD2-CG1 3.91Å; Y131-V474 HydrophobicContact CG-CG1 4.37Å; V134-V474 HydrophobicContact CB-CG2 4.38Å; V134-V474 HydrophobicContact CG1-CG2 4Å; F388-V474 HydrophobicContact CE1-CG1 4.33Å; F388-V474 HydrophobicContact CE2-CG1 4.01Å; F388-V474 HydrophobicContact CZ-CG1 3.7Å; C465-V474 HydrophobicContact CB-CG2 3.82Å; G470-V474 WeakPolarHBondContact O-CG2 3.27Å; G470-V474 PolarHBondContact O-N 2.92Å; I471-V474 PolarHBondContact O-N 3.35Å; V474-L476 PolarHBondContact O-N 3.32Å; V474-I477 PolarHBondContact O-N 2.91Å; V474-D478 WeakPolarHBondContact O-CB 3.39Å; V474-D478 PolarHBondContact O-N 3.49Å
475	H	91.8	Very high	89.8	Confident	38 Å²	38	13.8 Å²	13.8	18%	0.176	7%	0.068	C	C	.	.	H	α-helix	trans	-68	-35.2	-178.5	179.7	-95.6	0	0	0	113	I471 W473 H479 N552 Y553 Y558	I471-H475 WeakPolarHBondContact O-CB 3.49Å; I471-H475 PolarHBondContact O-N 3.02Å; W473-H475 VanDerWaalsContact C-N 3.33Å; W473-H475 PolarHBondContact O-N 3.3Å; H475-H479 VanDerWaalsContact O-CB 3.28Å; H475-H479 WeakPolarHBondContact O-CB 3.29Å; H475-H479 PolarHBondContact O-N 3.14Å; H475-N552 PolarHBondContact CE1-O 3.4Å; H475-Y553 HydrophobicContact CB-CD2 4.19Å; H475-Y558 WeakPolarHBondContact CB-OH 3.3Å; H475-Y558 AromaticContact ND1-CE2 3.72Å; H475-Y558 AromaticContact ND1-CZ 3.75Å; H475-Y558 PolarHBondContact ND1-OH 3.06Å
476	L	91.5	Very high	89.2	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.7	-46.4	176.8	-174.5	71.7	0	0	0	111.7	M229 Y472 W473 V474 H479 F480 Y558	M229-L476 HydrophobicContact CE-CD2 3.58Å; M229-L476 HydrophobicContact SD-CD2 4.25Å; Y472-L476 WeakPolarHBondContact O-CB 3.28Å; Y472-L476 PolarHBondContact O-N 3.15Å; W473-L476 PolarHBondContact O-N 3.26Å; V474-L476 PolarHBondContact O-N 3.32Å; L476-H479 PolarHBondContact O-N 2.97Å; L476-F480 HydrophobicContact CD1-CD2 3.71Å; L476-F480 HydrophobicContact CD1-CE2 3.6Å; L476-F480 HydrophobicContact CG-CD2 4.26Å; L476-F480 WeakPolarHBondContact O-CD2 3.48Å; L476-F480 PolarHBondContact O-N 3.47Å; L476-F480 VanDerWaalsContact O-N 3.09Å; L476-Y558 HydrophobicContact CB-CE1 3.89Å; L476-Y558 HydrophobicContact CD1-CD1 3.97Å; L476-Y558 HydrophobicContact CD1-CE1 3.93Å; L476-Y558 HydrophobicContact CG-CE1 4.37Å
477	I	91.6	Very high	88.7	Confident	9 Å²	9	14.6 Å²	14.6	5%	0.046	7%	0.072	C	C	.	.	H	α-helix	trans	-65.6	-44	179.6	-61.3	165.6	0	0	0	110	F127 Y131 W473 V474 H479 F480 C481 M569	F127-I477 HydrophobicContact CB-CG2 4.04Å; F127-I477 HydrophobicContact CD1-CG2 4.29Å; Y131-I477 HydrophobicContact CD1-CB 4.03Å; Y131-I477 HydrophobicContact CD1-CG2 3.59Å; Y131-I477 HydrophobicContact CE1-CG2 4.03Å; W473-I477 VanDerWaalsContact O-CG1 3.29Å; W473-I477 WeakPolarHBondContact O-CG1 3.25Å; W473-I477 PolarHBondContact O-N 3.45Å; V474-I477 PolarHBondContact O-N 2.91Å; I477-H479 VanDerWaalsContact C-N 3.34Å; I477-H479 PolarHBondContact O-N 2.89Å; I477-F480 PolarHBondContact O-N 2.88Å; I477-C481 HydrophobicContact CG2-CB 4.19Å; I477-C481 VanDerWaalsContact O-CB 3.32Å; I477-C481 WeakPolarHBondContact O-CB 3.15Å; I477-C481 PolarHBondContact O-N 3.4Å; I477-M569 HydrophobicContact CG1-CE 4.29Å; I477-M569 HydrophobicContact CG1-SD 4.05Å
478	D	87.9	Confident	88.4	Confident	47 Å²	47	15.8 Å²	15.8	25%	0.251	8%	0.078	S	C	.	.	H	α-helix	trans	-57.9	-45.6	175.4	-174.3	60.1	0	0	0	111.3	Y131 V474 A482	Y131-D478 HydrophobicContact CE1-CB 4.18Å; Y131-D478 HydrophobicContact CE2-CB 3.88Å; Y131-D478 VanDerWaalsContact CZ-OD1 3.23Å; Y131-D478 PolarHBondContact OH-OD1 2.93Å; V474-D478 WeakPolarHBondContact O-CB 3.39Å; V474-D478 PolarHBondContact O-N 3.49Å; D478-A482 VanDerWaalsContact O-CB 3.23Å; D478-A482 WeakPolarHBondContact O-CB 3.44Å; D478-A482 PolarHBondContact O-N 3.14Å
479	H	86.6	Confident	88.2	Confident	66 Å²	66	13.4 Å²	13.4	31%	0.306	7%	0.066	S	C	.	.	H	α-helix	trans	-64	-46.8	-179	-171.7	80.9	0	0	0	113.4	H475 L476 I477 F548	H475-H479 VanDerWaalsContact O-CB 3.28Å; H475-H479 WeakPolarHBondContact O-CB 3.29Å; H475-H479 PolarHBondContact O-N 3.14Å; L476-H479 PolarHBondContact O-N 2.97Å; I477-H479 VanDerWaalsContact C-N 3.34Å; I477-H479 PolarHBondContact O-N 2.89Å; H479-F548 AromaticContact NE2-CE2 3.7Å
480	F	86.4	Confident	88.1	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-89.2	-45.8	-173.2	-80.4	-85.5	0	0	0	114.1	L476 I477 W484 F548 P551 V563 G566 W567 I570	L476-F480 HydrophobicContact CD1-CD2 3.71Å; L476-F480 HydrophobicContact CD1-CE2 3.6Å; L476-F480 HydrophobicContact CG-CD2 4.26Å; L476-F480 WeakPolarHBondContact O-CD2 3.48Å; L476-F480 PolarHBondContact O-N 3.47Å; L476-F480 VanDerWaalsContact O-N 3.09Å; I477-F480 PolarHBondContact O-N 2.88Å; F480-W484 HydrophobicContact CD1-CZ3 4.19Å; F480-W484 HydrophobicContact CE1-CZ3 4.2Å; F480-F548 HydrophobicContact CE1-CE2 4.44Å; F480-F548 HydrophobicContact CE1-CZ 4.31Å; F480-F548 HydrophobicContact CZ-CE2 4.38Å; F480-F548 HydrophobicContact CZ-CZ 4.09Å; F480-P551 HydrophobicContact CE2-CG 4.04Å; F480-V563 HydrophobicContact CZ-CG1 4.19Å; F480-G566 VanDerWaalsContact CD1-C 3.41Å; F480-W567 AromaticContact CE1-CD1 3.88Å; F480-W567 AromaticContact CE1-CD2 3.94Å; F480-W567 HydrophobicContact CE1-CD2 3.94Å; F480-W567 AromaticContact CE1-CE2 3.88Å; F480-W567 AromaticContact CE1-CG 3.97Å; F480-W567 HydrophobicContact CE1-CG 3.97Å; F480-W567 AromaticContact CE1-NE1 3.81Å; F480-I570 HydrophobicContact CD1-CG2 4.45Å
481	C	82.1	Confident	88.1	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-83	-40	-172.8	-66.9	0	0	0	0	112.3	I124 F127 I477 G483	I124-C481 WeakPolarHBondContact CG2-O 3.4Å; F127-C481 HydrophobicContact CB-CB 3.97Å; F127-C481 HydrophobicContact CG-CB 4.41Å; I477-C481 HydrophobicContact CG2-CB 4.19Å; I477-C481 VanDerWaalsContact O-CB 3.32Å; I477-C481 WeakPolarHBondContact O-CB 3.15Å; I477-C481 PolarHBondContact O-N 3.4Å; C481-G483 VanDerWaalsContact C-N 3.28Å
482	A	70.8	Confident	88.2	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.008	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-21.1	176.2	0	0	0	0	0	111.2	V128 Y321 W327 D478 I486	V128-A482 HydrophobicContact CG2-CB 4.07Å; Y321-A482 HydrophobicContact CE1-CB 3.87Å; Y321-A482 WeakPolarHBondContact CE1-O 3.42Å; Y321-A482 PolarHBondContact OH-O 2.87Å; W327-A482 HydrophobicContact CH2-CB 3.99Å; D478-A482 VanDerWaalsContact O-CB 3.23Å; D478-A482 WeakPolarHBondContact O-CB 3.44Å; D478-A482 PolarHBondContact O-N 3.14Å; A482-I486 WeakPolarHBondContact O-CD1 3.32Å
483	G	73.6	Confident	88.3	Confident	11 Å²	11	16.1 Å²	16.1	11%	0.113	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-98.1	-178.6	0	0	0	0	0	116.6	Y321 C481	Y321-G483 WeakPolarHBondContact OH-CA 3.38Å; Y321-G483 PolarHBondContact OH-N 3.46Å; C481-G483 VanDerWaalsContact C-N 3.28Å
484	W	79.9	Confident	88.3	Confident	19 Å²	19	14.7 Å²	14.7	7%	0.072	8%	0.075	C	C	.	.	H	α-helix	trans	-84.5	-26.8	-164.7	-59.4	-43	0	0	0	114.6	F480 I486 L487 I488 F541 S544 L545 F548 W567	F480-W484 HydrophobicContact CD1-CZ3 4.19Å; F480-W484 HydrophobicContact CE1-CZ3 4.2Å; W484-I486 VanDerWaalsContact C-N 3.28Å; W484-I486 PolarHBondContact O-N 2.99Å; W484-L487 PolarHBondContact O-N 3.48Å; W484-L487 VanDerWaalsContact O-N 3.16Å; W484-I488 WeakPolarHBondContact O-CG1 3.49Å; W484-I488 PolarHBondContact O-N 2.84Å; W484-F541 HydrophobicContact CB-CE2 4.33Å; W484-S544 PolarHBondContact NE1-OG 3.05Å; W484-L545 HydrophobicContact CD2-CD2 4.36Å; W484-L545 HydrophobicContact CZ2-CD2 4.43Å; W484-F548 HydrophobicContact CH2-CB 4.32Å; W484-F548 AromaticContact CH2-CD2 3.18Å; W484-F548 HydrophobicContact CH2-CD2 3.18Å; W484-F548 AromaticContact CH2-CE2 3.43Å; W484-F548 HydrophobicContact CH2-CE2 3.43Å; W484-F548 VanDerWaalsContact CH2-CE2 3.43Å; W484-F548 AromaticContact CH2-CG 3.76Å; W484-F548 HydrophobicContact CH2-CG 3.76Å; W484-F548 HydrophobicContact CH2-CZ 4.23Å; W484-F548 HydrophobicContact CZ2-CB 4.09Å; W484-F548 AromaticContact CZ2-CD2 3.34Å; W484-F548 HydrophobicContact CZ2-CD2 3.34Å; W484-F548 AromaticContact CZ2-CE2 4Å; W484-F548 HydrophobicContact CZ2-CE2 4Å; W484-F548 AromaticContact CZ2-CG 3.94Å; W484-F548 HydrophobicContact CZ2-CG 3.94Å; W484-F548 HydrophobicContact CZ3-CD2 4.44Å; W484-F548 HydrophobicContact CZ3-CE2 4.38Å; W484-W567 AromaticContact CE3-CH2 3.97Å; W484-W567 HydrophobicContact CE3-CH2 3.97Å; W484-W567 AromaticContact CE3-CZ3 3.87Å; W484-W567 HydrophobicContact CE3-CZ3 3.87Å; W484-W567 AromaticContact CH2-CH2 3.3Å; W484-W567 HydrophobicContact CH2-CH2 3.3Å; W484-W567 AromaticContact CH2-CZ2 3.56Å; W484-W567 HydrophobicContact CH2-CZ2 3.56Å; W484-W567 HydrophobicContact CH2-CZ3 4.04Å; W484-W567 HydrophobicContact CZ2-CH2 4.44Å; W484-W567 HydrophobicContact CZ3-CD2 4.44Å; W484-W567 AromaticContact CZ3-CE3 3.98Å; W484-W567 HydrophobicContact CZ3-CE3 3.98Å; W484-W567 AromaticContact CZ3-CH2 3.04Å; W484-W567 HydrophobicContact CZ3-CH2 3.04Å; W484-W567 AromaticContact CZ3-CZ2 3.56Å; W484-W567 HydrophobicContact CZ3-CZ2 3.56Å; W484-W567 AromaticContact CZ3-CZ3 3.27Å; W484-W567 HydrophobicContact CZ3-CZ3 3.27Å
485	G	82.8	Confident	88.5	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.4	-39.8	-176.5	0	0	0	0	0	112.6	I124 I488 A489 I570	I124-G485 VanDerWaalsContact CD1-C 3.48Å; G485-I488 PolarHBondContact O-N 3.45Å; G485-A489 WeakPolarHBondContact O-CB 3.37Å; G485-A489 PolarHBondContact O-N 2.99Å; G485-I570 VanDerWaalsContact CA-CD1 3.42Å
486	I	85.8	Confident	88.7	Confident	6 Å²	6	15 Å²	15	3%	0.031	8%	0.08	C	C	.	.	H	α-helix	trans	-68.8	-38.6	177.4	-71.8	136	0	0	0	111.5	I124 V325 A326 W327 A482 W484 A489 A490	I124-I486 HydrophobicContact CD1-CG1 4.2Å; I124-I486 HydrophobicContact CG2-CD1 3.64Å; I124-I486 HydrophobicContact CG2-CG1 3.93Å; V325-I486 WeakPolarHBondContact O-CG2 3.35Å; A326-I486 HydrophobicContact CB-CG2 4.11Å; W327-I486 HydrophobicContact CD2-CD1 3.92Å; W327-I486 HydrophobicContact CD2-CG1 4.21Å; W327-I486 HydrophobicContact CE3-CD1 4.23Å; W327-I486 HydrophobicContact CH2-CD1 3.55Å; W327-I486 HydrophobicContact CZ2-CD1 3.14Å; W327-I486 HydrophobicContact CZ2-CG1 4.19Å; W327-I486 HydrophobicContact CZ3-CD1 4.07Å; A482-I486 WeakPolarHBondContact O-CD1 3.32Å; W484-I486 VanDerWaalsContact C-N 3.28Å; W484-I486 PolarHBondContact O-N 2.99Å; I486-A489 PolarHBondContact O-N 3.06Å; I486-A490 WeakPolarHBondContact O-CB 3.47Å; I486-A490 PolarHBondContact O-N 3.31Å
487	L	87.9	Confident	89	Confident	13 Å²	13	15 Å²	15	7%	0.068	8%	0.08	C	C	.	.	H	α-helix	trans	-63.5	-42.8	175.2	-68.7	175.7	0	0	0	111.5	W484 A490 I491 L537 I540 F541	W484-L487 PolarHBondContact O-N 3.48Å; W484-L487 VanDerWaalsContact O-N 3.16Å; L487-A490 PolarHBondContact O-N 3.4Å; L487-I491 WeakPolarHBondContact O-CD1 3.46Å; L487-I491 VanDerWaalsContact O-CG1 3.25Å; L487-I491 WeakPolarHBondContact O-CG1 3.36Å; L487-I491 PolarHBondContact O-N 3.44Å; L487-L537 HydrophobicContact CD2-CD2 4.01Å; L487-I540 HydrophobicContact CD1-CG2 4.03Å; L487-I540 HydrophobicContact CD2-CG2 4.41Å; L487-F541 HydrophobicContact CB-CD2 4.08Å; L487-F541 HydrophobicContact CD1-CD2 4.44Å
488	I	91.4	Very high	89.2	Confident	37 Å²	37	14.7 Å²	14.7	19%	0.19	8%	0.078	C	C	.	.	H	α-helix	trans	-61.9	-46.2	175	-65.9	168.9	0	0	0	110.2	W484 G485 A490 I491 L492 F541 I574 I577	W484-I488 WeakPolarHBondContact O-CG1 3.49Å; W484-I488 PolarHBondContact O-N 2.84Å; G485-I488 PolarHBondContact O-N 3.45Å; I488-A490 PolarHBondContact O-N 3.48Å; I488-I491 PolarHBondContact O-N 2.94Å; I488-L492 HydrophobicContact CG2-CD1 3.96Å; I488-L492 WeakPolarHBondContact O-CG 3.24Å; I488-L492 PolarHBondContact O-N 3.45Å; I488-F541 HydrophobicContact CD1-CE2 3.78Å; I488-F541 HydrophobicContact CD1-CZ 3.83Å; I488-F541 HydrophobicContact CG1-CD2 4.18Å; I488-F541 HydrophobicContact CG1-CE2 3.43Å; I488-F541 VanDerWaalsContact CG1-CE2 3.43Å; I488-F541 HydrophobicContact CG1-CZ 3.63Å; I488-I574 HydrophobicContact CD1-CD1 4.39Å; I488-I574 HydrophobicContact CD1-CG2 4.3Å; I488-I577 HydrophobicContact CG2-CD1 4.23Å
489	A	93.1	Very high	89.6	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.8	-46.5	177.5	0	0	0	0	0	111.7	V117 M121 A326 G485 I486 I491 L492 E493	V117-A489 HydrophobicContact CG1-CB 4.14Å; M121-A489 HydrophobicContact CE-CB 4.38Å; M121-A489 HydrophobicContact CG-CB 4.3Å; A326-A489 HydrophobicContact CB-CB 4.37Å; G485-A489 WeakPolarHBondContact O-CB 3.37Å; G485-A489 PolarHBondContact O-N 2.99Å; I486-A489 PolarHBondContact O-N 3.06Å; A489-I491 PolarHBondContact O-N 2.89Å; A489-L492 PolarHBondContact O-N 3.27Å; A489-E493 VanDerWaalsContact O-CB 3.25Å; A489-E493 WeakPolarHBondContact O-CB 3.47Å; A489-E493 PolarHBondContact O-N 3.48Å
490	A	93.4	Very high	90.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.1	-42	178.6	0	0	0	0	0	112.7	F320 A326 I486 L487 I488 E493 I494 L537	F320-A490 HydrophobicContact CE1-CB 4.46Å; A326-A490 HydrophobicContact CB-CB 3.64Å; I486-A490 WeakPolarHBondContact O-CB 3.47Å; I486-A490 PolarHBondContact O-N 3.31Å; L487-A490 PolarHBondContact O-N 3.4Å; I488-A490 PolarHBondContact O-N 3.48Å; A490-E493 PolarHBondContact O-N 2.89Å; A490-I494 WeakPolarHBondContact O-CG2 3.26Å; A490-I494 PolarHBondContact O-N 3.11Å; A490-L537 HydrophobicContact CB-CD1 3.93Å; A490-L537 HydrophobicContact CB-CD2 4.29Å
491	I	94.9	Very high	90.6	Very high	22 Å²	22	20.1 Å²	20.1	11%	0.113	10%	0.097	C	C	.	.	H	α-helix	trans	-63.1	-46.3	176.4	-69.1	164.6	0	0	0	110.4	L487 I488 A489 E493 I494 V495 L537 I538 F541	L487-I491 WeakPolarHBondContact O-CD1 3.46Å; L487-I491 VanDerWaalsContact O-CG1 3.25Å; L487-I491 WeakPolarHBondContact O-CG1 3.36Å; L487-I491 PolarHBondContact O-N 3.44Å; I488-I491 PolarHBondContact O-N 2.94Å; A489-I491 PolarHBondContact O-N 2.89Å; I491-E493 VanDerWaalsContact C-N 3.34Å; I491-I494 VanDerWaalsContact O-CG2 3.31Å; I491-I494 WeakPolarHBondContact O-CG2 3.49Å; I491-V495 HydrophobicContact CG2-CG2 4.43Å; I491-V495 VanDerWaalsContact O-CB 3.31Å; I491-V495 WeakPolarHBondContact O-CB 3.48Å; I491-V495 WeakPolarHBondContact O-CG2 3.38Å; I491-V495 PolarHBondContact O-N 2.89Å; I491-L537 HydrophobicContact CD1-CB 4.29Å; I491-L537 HydrophobicContact CG1-CB 3.65Å; I491-L537 HydrophobicContact CG1-CD1 4.2Å; I491-L537 HydrophobicContact CG1-CG 4.48Å; I491-I538 HydrophobicContact CD1-CG1 4.05Å; I491-I538 HydrophobicContact CG1-CG1 4.28Å; I491-I538 HydrophobicContact CG2-CG1 4.16Å; I491-F541 HydrophobicContact CD1-CB 3.91Å; I491-F541 HydrophobicContact CD1-CD1 4.42Å; I491-F541 HydrophobicContact CD1-CG 4.18Å
492	L	96.6	Very high	91.3	Very high	39 Å²	39	21.2 Å²	21.2	20%	0.204	11%	0.108	C	C	.	.	H	α-helix	trans	-70.8	-31.4	-179.8	-67.9	174.8	0	0	0	112.6	F114 V117 I488 A489 G496 I577	F114-L492 HydrophobicContact CD2-CB 4.39Å; F114-L492 WeakPolarHBondContact CD2-O 3.07Å; F114-L492 HydrophobicContact CE2-CB 4.35Å; F114-L492 HydrophobicContact CE2-CD2 4.07Å; F114-L492 HydrophobicContact CZ-CD2 4.19Å; V117-L492 HydrophobicContact CG2-CB 3.74Å; V117-L492 HydrophobicContact CG2-CD1 3.95Å; I488-L492 HydrophobicContact CG2-CD1 3.96Å; I488-L492 WeakPolarHBondContact O-CG 3.24Å; I488-L492 PolarHBondContact O-N 3.45Å; A489-L492 PolarHBondContact O-N 3.27Å; L492-G496 WeakPolarHBondContact O-CA 3.48Å; L492-G496 PolarHBondContact O-N 2.94Å; L492-I577 HydrophobicContact CD1-CD1 3.65Å; L492-I577 HydrophobicContact CD1-CG1 4.32Å; L492-I577 HydrophobicContact CD1-CG2 3.89Å
493	E	96.4	Very high	92.5	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-54.6	172.2	-176.1	170.6	-139	0	0	112.3	L92 E93 W108 M121 A489 A490 I491 V495 G496 I497	L92-E493 HydrophobicContact CD2-CG 4.21Å; E93-E493 VanDerWaalsContact CG-OE1 3.3Å; E93-E493 WeakPolarHBondContact CG-OE1 3.49Å; W108-E493 HydrophobicContact CH2-CB 4.14Å; W108-E493 HydrophobicContact CH2-CG 4.4Å; W108-E493 HydrophobicContact CZ2-CB 4.26Å; W108-E493 HydrophobicContact CZ2-CG 4.34Å; M121-E493 HydrophobicContact CE-CB 4.38Å; M121-E493 HydrophobicContact CE-CG 4.46Å; M121-E493 WeakPolarHBondContact CE-OE2 3.44Å; A489-E493 VanDerWaalsContact O-CB 3.25Å; A489-E493 WeakPolarHBondContact O-CB 3.47Å; A489-E493 PolarHBondContact O-N 3.48Å; A490-E493 PolarHBondContact O-N 2.89Å; I491-E493 VanDerWaalsContact C-N 3.34Å; E493-V495 PolarHBondContact O-N 3.44Å; E493-G496 PolarHBondContact O-N 3.22Å; E493-I497 HydrophobicContact CG-CD1 3.69Å; E493-I497 WeakPolarHBondContact O-CB 3.48Å; E493-I497 WeakPolarHBondContact O-CG1 3.33Å; E493-I497 PolarHBondContact O-N 3.25Å
494	I	96.4	Very high	93.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.5	-40.7	-179.9	-162.9	163.7	0	0	0	111.5	L89 A490 I491 I498 T533 P534 L537	L89-I494 HydrophobicContact CD2-CB 4.2Å; L89-I494 HydrophobicContact CD2-CD1 3.89Å; L89-I494 HydrophobicContact CD2-CG1 4.41Å; A490-I494 WeakPolarHBondContact O-CG2 3.26Å; A490-I494 PolarHBondContact O-N 3.11Å; I491-I494 VanDerWaalsContact O-CG2 3.31Å; I491-I494 WeakPolarHBondContact O-CG2 3.49Å; I494-I498 HydrophobicContact CG1-CG1 3.87Å; I494-I498 WeakPolarHBondContact O-CB 3.42Å; I494-I498 WeakPolarHBondContact O-CG1 3.06Å; I494-I498 PolarHBondContact O-N 2.91Å; I494-T533 HydrophobicContact CD1-CG2 3.71Å; I494-P534 HydrophobicContact CD1-CG 3.73Å; I494-P534 HydrophobicContact CG1-CG 4.05Å; I494-P534 HydrophobicContact CG2-CB 4.3Å; I494-P534 HydrophobicContact CG2-CG 4.06Å; I494-L537 HydrophobicContact CG2-CD1 4.36Å
495	V	96.9	Very high	94.3	Very high	44 Å²	44	29 Å²	29	27%	0.267	14%	0.14	S	C	.	.	I	π-helix	trans	-64.4	-45.4	175.7	170.7	0	0	0	0	110.8	I491 E493 I497 W499 I500	I491-V495 HydrophobicContact CG2-CG2 4.43Å; I491-V495 VanDerWaalsContact O-CB 3.31Å; I491-V495 WeakPolarHBondContact O-CB 3.48Å; I491-V495 WeakPolarHBondContact O-CG2 3.38Å; I491-V495 PolarHBondContact O-N 2.89Å; E493-V495 PolarHBondContact O-N 3.44Å; V495-I497 PolarHBondContact O-N 3.29Å; V495-W499 WeakPolarHBondContact O-CA 3.28Å; V495-W499 VanDerWaalsContact O-CB 3.3Å; V495-W499 WeakPolarHBondContact O-CB 3.3Å; V495-W499 PolarHBondContact O-N 3.33Å; V495-I500 HydrophobicContact CG1-CD1 4.46Å; V495-I500 PolarHBondContact O-N 2.84Å; V495-I500 VanDerWaalsContact O-N 3.13Å
496	G	96.4	Very high	95	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-61.4	-46.7	-179.6	0	0	0	0	0	112.8	L111 L492 E493 I500 Y501	L111-G496 VanDerWaalsContact CD2-CA 3.45Å; L492-G496 WeakPolarHBondContact O-CA 3.48Å; L492-G496 PolarHBondContact O-N 2.94Å; E493-G496 PolarHBondContact O-N 3.22Å; G496-I500 WeakPolarHBondContact O-CB 3.42Å; G496-I500 PolarHBondContact O-N 2.89Å; G496-Y501 PolarHBondContact O-N 3.1Å
497	I	97.3	Very high	95.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-82.1	-43.9	-173.8	-64.4	164.4	0	0	0	111.3	L92 L96 E493 V495 Y501 G502 F506	L92-I497 HydrophobicContact CD2-CD1 3.66Å; L96-I497 HydrophobicContact CD1-CD1 4.31Å; L96-I497 HydrophobicContact CD2-CD1 3.62Å; L96-I497 HydrophobicContact CG-CD1 4.48Å; E493-I497 HydrophobicContact CG-CD1 3.69Å; E493-I497 WeakPolarHBondContact O-CB 3.48Å; E493-I497 WeakPolarHBondContact O-CG1 3.33Å; E493-I497 PolarHBondContact O-N 3.25Å; V495-I497 PolarHBondContact O-N 3.29Å; I497-Y501 WeakPolarHBondContact O-CB 3.46Å; I497-G502 PolarHBondContact O-N 3.43Å; I497-G502 VanDerWaalsContact O-N 3.13Å; I497-F506 HydrophobicContact CG2-CB 4.32Å; I497-F506 HydrophobicContact CG2-CD1 3.97Å; I497-F506 HydrophobicContact CG2-CD2 3.95Å; I497-F506 HydrophobicContact CG2-CE1 4.24Å; I497-F506 HydrophobicContact CG2-CE2 4.23Å; I497-F506 HydrophobicContact CG2-CG 3.81Å; I497-F506 HydrophobicContact CG2-CZ 4.36Å
498	I	97.7	Very high	95.9	Very high	2 Å²	2	33 Å²	33	1%	0.01	16%	0.158	C	C	.	.	I	π-helix	trans	-85.2	-40.5	-172.2	-55.8	-61.5	0	0	0	111.8	L92 I494 G502 G503 F506 W529 F530	L92-I498 HydrophobicContact CD1-CD1 3.94Å; L92-I498 HydrophobicContact CD1-CG1 4.11Å; I494-I498 HydrophobicContact CG1-CG1 3.87Å; I494-I498 WeakPolarHBondContact O-CB 3.42Å; I494-I498 WeakPolarHBondContact O-CG1 3.06Å; I494-I498 PolarHBondContact O-N 2.91Å; I498-G502 CarbonylContact O-C 3.39Å; I498-G502 WeakPolarHBondContact O-CA 3.34Å; I498-G503 PolarHBondContact O-N 3.24Å; I498-F506 HydrophobicContact CD1-CD1 4.45Å; I498-W529 HydrophobicContact CD1-CB 3.75Å; I498-W529 HydrophobicContact CD1-CD2 3.99Å; I498-W529 HydrophobicContact CD1-CE3 4.03Å; I498-W529 HydrophobicContact CD1-CG 3.91Å; I498-W529 HydrophobicContact CG1-CB 3.87Å; I498-W529 HydrophobicContact CG1-CG 4.32Å; I498-W529 HydrophobicContact CG2-CB 4.18Å; I498-F530 HydrophobicContact CG2-CD1 3.63Å; I498-F530 HydrophobicContact CG2-CD2 3.74Å; I498-F530 HydrophobicContact CG2-CE1 3.63Å; I498-F530 HydrophobicContact CG2-CE2 3.75Å; I498-F530 HydrophobicContact CG2-CG 3.69Å; I498-F530 HydrophobicContact CG2-CZ 3.71Å
499	W	96.4	Very high	96.2	Very high	156 Å²	156	31.2 Å²	31.2	59%	0.591	15%	0.149	S	C	*	.	I	π-helix	trans	-96.1	-40.7	-174.3	-68.6	82.3	0	0	0	113.2	V495 F530	V495-W499 WeakPolarHBondContact O-CA 3.28Å; V495-W499 VanDerWaalsContact O-CB 3.3Å; V495-W499 WeakPolarHBondContact O-CB 3.3Å; V495-W499 PolarHBondContact O-N 3.33Å; W499-F530 WeakPolarHBondContact CZ2-O 3.49Å; W499-F530 PolarHBondContact NE1-O 3.3Å
500	I	96.3	Very high	96.4	Very high	64 Å²	64	31.2 Å²	31.2	33%	0.328	15%	0.149	S	C	.	.	I	π-helix	trans	-88.9	-53.9	-176.1	-55	175.9	0	0	0	111.5	L111 F114 V495 G496 C600	L111-I500 HydrophobicContact CD1-CB 4.41Å; L111-I500 HydrophobicContact CD1-CG2 3.57Å; L111-I500 HydrophobicContact CD2-CB 3.99Å; L111-I500 HydrophobicContact CD2-CD1 3.95Å; L111-I500 HydrophobicContact CD2-CG2 4.05Å; L111-I500 HydrophobicContact CG-CG2 4.47Å; F114-I500 HydrophobicContact CE1-CD1 4.42Å; F114-I500 HydrophobicContact CE2-CD1 3.91Å; F114-I500 HydrophobicContact CZ-CD1 3.75Å; V495-I500 HydrophobicContact CG1-CD1 4.46Å; V495-I500 PolarHBondContact O-N 2.84Å; V495-I500 VanDerWaalsContact O-N 3.13Å; G496-I500 WeakPolarHBondContact O-CB 3.42Å; G496-I500 PolarHBondContact O-N 2.89Å; I500-C600 HydrophobicContact CG2-CB 4.05Å
501	Y	96.8	Very high	96.5	Very high	8 Å²	8	33.4 Å²	33.4	3%	0.031	16%	0.159	C	C	.	.	I	π-helix	trans	-68.2	-38.5	176	175.9	-104.6	0	0	0	112.1	I110 G496 I497 R505 F506 D509 P602 W606 Y618	I110-Y501 HydrophobicContact CD1-CD1 3.58Å; I110-Y501 HydrophobicContact CD1-CD2 3.87Å; I110-Y501 HydrophobicContact CD1-CE1 3.76Å; I110-Y501 HydrophobicContact CD1-CE2 4.04Å; I110-Y501 HydrophobicContact CD1-CG 3.62Å; I110-Y501 HydrophobicContact CG1-CD1 3.96Å; I110-Y501 HydrophobicContact CG1-CD2 3.23Å; I110-Y501 HydrophobicContact CG1-CE1 4.14Å; I110-Y501 HydrophobicContact CG1-CE2 3.45Å; I110-Y501 VanDerWaalsContact CG1-CE2 3.45Å; I110-Y501 HydrophobicContact CG1-CG 3.49Å; I110-Y501 VanDerWaalsContact CG1-CG 3.49Å; G496-Y501 PolarHBondContact O-N 3.1Å; I497-Y501 WeakPolarHBondContact O-CB 3.46Å; Y501-R505 HydrophobicContact CD1-CB 4.45Å; Y501-R505 HydrophobicContact CE1-CB 4Å; Y501-R505 HydrophobicContact CE1-CG 3.71Å; Y501-R505 HydrophobicContact CE2-CG 4.44Å; Y501-R505 WeakPolarHBondContact OH-CD 3.39Å; Y501-F506 HydrophobicContact CD1-CB 4.25Å; Y501-F506 HydrophobicContact CE1-CB 4.2Å; Y501-D509 WeakPolarHBondContact CE1-OD2 3.47Å; Y501-D509 PolarHBondContact OH-OD2 2.72Å; Y501-P602 HydrophobicContact CD2-CG 3.69Å; Y501-P602 HydrophobicContact CE2-CB 4.39Å; Y501-P602 HydrophobicContact CE2-CG 3.49Å; Y501-P602 VanDerWaalsContact CE2-CG 3.49Å; Y501-W606 AromaticContact CE2-NE1 3.65Å; Y501-W606 AromaticContact CZ-NE1 3.64Å; Y501-W606 PolarHBondContact OH-NE1 3.2Å; Y501-Y618 PolarHBondContact OH-OH 2.81Å
502	G	96.9	Very high	96.5	Very high	22 Å²	22	34.4 Å²	34.4	23%	0.227	16%	0.164	C	C	.	.	I	π-helix	trans	108.8	113.4	173.7	0	0	0	0	0	112.3	I497 I498 N504 R505 F506	I497-G502 PolarHBondContact O-N 3.43Å; I497-G502 VanDerWaalsContact O-N 3.13Å; I498-G502 CarbonylContact O-C 3.39Å; I498-G502 WeakPolarHBondContact O-CA 3.34Å; G502-N504 VanDerWaalsContact C-N 3.29Å; G502-N504 PolarHBondContact O-N 3.03Å; G502-R505 WeakPolarHBondContact O-CA 3.45Å; G502-R505 VanDerWaalsContact O-CB 3.26Å; G502-R505 WeakPolarHBondContact O-CB 3.31Å; G502-R505 PolarHBondContact O-N 3.31Å; G502-F506 PolarHBondContact O-N 2.94Å
503	G	95.6	Very high	96.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-30.2	-175.2	0	0	0	0	0	114.4	I498 F506 I507	I498-G503 PolarHBondContact O-N 3.24Å; G503-F506 PolarHBondContact O-N 3.49Å; G503-I507 VanDerWaalsContact O-CG1 3.28Å; G503-I507 WeakPolarHBondContact O-CG1 3.37Å; G503-I507 PolarHBondContact O-N 3.04Å
504	N	95.4	Very high	96.5	Very high	79 Å²	79	33.7 Å²	33.7	42%	0.422	16%	0.16	S	C	.	.	H	α-helix	trans	-67.9	-38.4	173.1	-68.7	-33.2	0	0	0	111.7	G502 F506 I507 E508 R526	G502-N504 VanDerWaalsContact C-N 3.29Å; G502-N504 PolarHBondContact O-N 3.03Å; N504-F506 VanDerWaalsContact C-N 3.32Å; N504-I507 PolarHBondContact O-N 2.74Å; N504-E508 WeakPolarHBondContact O-CG 3.47Å; N504-E508 PolarHBondContact O-N 3.43Å; N504-E508 VanDerWaalsContact O-N 3.1Å; N504-R526 PolarHBondContact OD1-NH2 2.68Å
505	R	95.4	Very high	96.4	Very high	116 Å²	116	35.3 Å²	35.3	44%	0.438	18%	0.176	S	C	.	.	H	α-helix	trans	-63.3	-42.4	175	-173	-177.6	-79.8	173.6	-4.4	110.5	Y501 G502 E508 D509 R617	Y501-R505 HydrophobicContact CD1-CB 4.45Å; Y501-R505 HydrophobicContact CE1-CB 4Å; Y501-R505 HydrophobicContact CE1-CG 3.71Å; Y501-R505 HydrophobicContact CE2-CG 4.44Å; Y501-R505 WeakPolarHBondContact OH-CD 3.39Å; G502-R505 WeakPolarHBondContact O-CA 3.45Å; G502-R505 VanDerWaalsContact O-CB 3.26Å; G502-R505 WeakPolarHBondContact O-CB 3.31Å; G502-R505 PolarHBondContact O-N 3.31Å; R505-E508 WeakPolarHBondContact O-CB 3.3Å; R505-E508 PolarHBondContact O-N 2.98Å; R505-D509 VanDerWaalsContact O-CG 3.3Å; R505-D509 PolarHBondContact O-N 3.39Å; R505-D509 VanDerWaalsContact O-N 3.07Å; R505-R617 PolarHBondContact O-NH2 3.3Å
506	F	97.5	Very high	96.2	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-38.3	176.2	-171.3	-117.8	0	0	0	112.8	L92 L96 I497 I498 Y501 G502 G503 N504 E508 D509 I510 W529	L92-F506 HydrophobicContact CB-CE1 4.46Å; L92-F506 HydrophobicContact CG-CE1 3.89Å; L92-F506 HydrophobicContact CG-CZ 4.28Å; L96-F506 HydrophobicContact CB-CE2 4.23Å; L96-F506 HydrophobicContact CB-CZ 4.15Å; L96-F506 HydrophobicContact CD1-CE2 3.91Å; I497-F506 HydrophobicContact CG2-CB 4.32Å; I497-F506 HydrophobicContact CG2-CD1 3.97Å; I497-F506 HydrophobicContact CG2-CD2 3.95Å; I497-F506 HydrophobicContact CG2-CE1 4.24Å; I497-F506 HydrophobicContact CG2-CE2 4.23Å; I497-F506 HydrophobicContact CG2-CG 3.81Å; I497-F506 HydrophobicContact CG2-CZ 4.36Å; I498-F506 HydrophobicContact CD1-CD1 4.45Å; Y501-F506 HydrophobicContact CD1-CB 4.25Å; Y501-F506 HydrophobicContact CE1-CB 4.2Å; G502-F506 PolarHBondContact O-N 2.94Å; G503-F506 PolarHBondContact O-N 3.49Å; N504-F506 VanDerWaalsContact C-N 3.32Å; F506-E508 VanDerWaalsContact C-N 3.32Å; F506-E508 PolarHBondContact O-N 3.35Å; F506-D509 VanDerWaalsContact O-CB 3.32Å; F506-D509 WeakPolarHBondContact O-CB 3.48Å; F506-D509 PolarHBondContact O-N 2.95Å; F506-D509 VanDerWaalsContact O-N 3.12Å; F506-I510 HydrophobicContact CD1-CD1 3.9Å; F506-I510 HydrophobicContact CE1-CD1 3.67Å; F506-I510 HydrophobicContact CE1-CG1 4.3Å; F506-I510 HydrophobicContact CZ-CD1 4.23Å; F506-I510 HydrophobicContact CZ-CG1 4.42Å; F506-I510 WeakPolarHBondContact O-CG1 3.42Å; F506-I510 PolarHBondContact O-N 2.9Å; F506-W529 HydrophobicContact CD1-CZ3 4.45Å; F506-W529 HydrophobicContact CE1-CH2 4.38Å
507	I	97.4	Very high	96.1	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-45.7	172.6	-75.5	167.3	0	0	0	110.9	G503 N504 D509 I510 E511 W522 R526 W529	G503-I507 VanDerWaalsContact O-CG1 3.28Å; G503-I507 WeakPolarHBondContact O-CG1 3.37Å; G503-I507 PolarHBondContact O-N 3.04Å; N504-I507 PolarHBondContact O-N 2.74Å; I507-D509 VanDerWaalsContact C-N 3.27Å; I507-D509 PolarHBondContact O-N 3.03Å; I507-I510 WeakPolarHBondContact O-CB 3.24Å; I507-I510 PolarHBondContact O-N 3.15Å; I507-I510 VanDerWaalsContact O-N 3.11Å; I507-E511 HydrophobicContact CG2-CG 4.46Å; I507-E511 WeakPolarHBondContact O-CG 3.4Å; I507-E511 PolarHBondContact O-N 2.98Å; I507-W522 HydrophobicContact CD1-CB 4.47Å; I507-W522 HydrophobicContact CD1-CD2 4.27Å; I507-W522 HydrophobicContact CD1-CE3 4.1Å; I507-W522 HydrophobicContact CD1-CG 4.44Å; I507-W522 HydrophobicContact CG1-CD2 4.16Å; I507-W522 HydrophobicContact CG1-CE3 3.82Å; I507-W522 HydrophobicContact CG1-CZ3 4.02Å; I507-W522 HydrophobicContact CG2-CD2 3.66Å; I507-W522 VanDerWaalsContact CG2-CE2 3.44Å; I507-W522 HydrophobicContact CG2-CE3 4.14Å; I507-W522 HydrophobicContact CG2-CG 4.07Å; I507-W522 HydrophobicContact CG2-CH2 4.23Å; I507-W522 HydrophobicContact CG2-CZ2 3.77Å; I507-W522 HydrophobicContact CG2-CZ3 4.39Å; I507-R526 HydrophobicContact CD1-CG 3.75Å; I507-W529 HydrophobicContact CG1-CZ3 4.05Å
508	E	96.1	Very high	95.8	Very high	95 Å²	95	51.3 Å²	51.3	44%	0.444	25%	0.253	S	S	.	.	H	α-helix	trans	-61.4	-35.8	175.6	-68.9	166.3	-168.2	0	0	111.9	N504 R505 F506 I510 E511 M512 R617	N504-E508 WeakPolarHBondContact O-CG 3.47Å; N504-E508 PolarHBondContact O-N 3.43Å; N504-E508 VanDerWaalsContact O-N 3.1Å; R505-E508 WeakPolarHBondContact O-CB 3.3Å; R505-E508 PolarHBondContact O-N 2.98Å; F506-E508 VanDerWaalsContact C-N 3.32Å; F506-E508 PolarHBondContact O-N 3.35Å; E508-I510 VanDerWaalsContact C-N 3.33Å; E508-E511 PolarHBondContact O-N 3.42Å; E508-M512 WeakPolarHBondContact O-CG 3.31Å; E508-M512 PolarHBondContact O-N 2.88Å; E508-R617 VanDerWaalsContact CB-NH1 3.3Å; E508-R617 IonicContact OE2-CZ 2.67Å; E508-R617 IonicContact OE2-NE 2.73Å; E508-R617 PolarHBondContact OE2-NE 3.12Å; E508-R617 IonicContact OE2-NH1 3.46Å; E508-R617 IonicContact OE2-NH2 2.84Å; E508-R617 PolarHBondContact OE2-NH2 3.08Å
509	D	96.5	Very high	95.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-40.7	173.3	-62.6	-31.8	0	0	0	111.8	F99 Y501 R505 F506 I507 M512 R617 Y618	F99-D509 HydrophobicContact CD1-CB 4.38Å; F99-D509 HydrophobicContact CD2-CB 3.81Å; F99-D509 WeakPolarHBondContact CD2-O 3.14Å; F99-D509 HydrophobicContact CE1-CB 4.16Å; F99-D509 HydrophobicContact CE2-CB 3.55Å; F99-D509 HydrophobicContact CG-CB 4.21Å; F99-D509 HydrophobicContact CZ-CB 3.73Å; F99-D509 WeakPolarHBondContact CZ-OD1 3.47Å; Y501-D509 WeakPolarHBondContact CE1-OD2 3.47Å; Y501-D509 PolarHBondContact OH-OD2 2.72Å; R505-D509 VanDerWaalsContact O-CG 3.3Å; R505-D509 PolarHBondContact O-N 3.39Å; R505-D509 VanDerWaalsContact O-N 3.07Å; F506-D509 VanDerWaalsContact O-CB 3.32Å; F506-D509 WeakPolarHBondContact O-CB 3.48Å; F506-D509 PolarHBondContact O-N 2.95Å; F506-D509 VanDerWaalsContact O-N 3.12Å; I507-D509 VanDerWaalsContact C-N 3.27Å; I507-D509 PolarHBondContact O-N 3.03Å; D509-M512 WeakPolarHBondContact O-CB 3.37Å; D509-M512 PolarHBondContact O-N 3.49Å; D509-R617 IonicContact OD1-CZ 3.73Å; D509-R617 IonicContact OD1-NH1 3.16Å; D509-R617 PolarHBondContact OD1-NH1 2.93Å; D509-R617 IonicContact OD1-NH2 2.68Å; D509-Y618 PolarHBondContact OD1-OH 3.37Å
510	I	97.4	Very high	95.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-42.2	175.8	-61.2	167.8	0	0	0	110.7	F91 F506 I507 E508 M512 M513 I514 W522 W529	F91-I510 HydrophobicContact CE1-CD1 4.27Å; F91-I510 HydrophobicContact CZ-CD1 4.29Å; F91-I510 HydrophobicContact CZ-CG2 3.89Å; F506-I510 HydrophobicContact CD1-CD1 3.9Å; F506-I510 HydrophobicContact CE1-CD1 3.67Å; F506-I510 HydrophobicContact CE1-CG1 4.3Å; F506-I510 HydrophobicContact CZ-CD1 4.23Å; F506-I510 HydrophobicContact CZ-CG1 4.42Å; F506-I510 WeakPolarHBondContact O-CG1 3.42Å; F506-I510 PolarHBondContact O-N 2.9Å; I507-I510 WeakPolarHBondContact O-CB 3.24Å; I507-I510 PolarHBondContact O-N 3.15Å; I507-I510 VanDerWaalsContact O-N 3.11Å; E508-I510 VanDerWaalsContact C-N 3.33Å; I510-M512 PolarHBondContact O-N 3.48Å; I510-M513 HydrophobicContact CB-CE 4.45Å; I510-M513 HydrophobicContact CG1-CE 4.35Å; I510-M513 WeakPolarHBondContact O-CA 3.33Å; I510-M513 WeakPolarHBondContact O-CB 3.39Å; I510-M513 PolarHBondContact O-N 3.49Å; I510-I514 HydrophobicContact CG2-CD1 3.64Å; I510-I514 HydrophobicContact CG2-CG1 3.88Å; I510-I514 PolarHBondContact O-N 3.19Å; I510-W522 HydrophobicContact CB-CH2 3.94Å; I510-W522 HydrophobicContact CD1-CH2 4.1Å; I510-W522 HydrophobicContact CD1-CZ3 4.25Å; I510-W522 HydrophobicContact CG2-CH2 3.7Å; I510-W522 HydrophobicContact CG2-CZ2 4.4Å; I510-W529 HydrophobicContact CD1-CH2 3.68Å; I510-W529 HydrophobicContact CD1-CZ3 4.24Å
511	E	96.5	Very high	95.3	Very high	47 Å²	47	56.2 Å²	56.2	22%	0.22	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-28	177.9	-70	-172.2	148.3	0	0	112.6	I507 E508 M513 G515 K517 W522	I507-E511 HydrophobicContact CG2-CG 4.46Å; I507-E511 WeakPolarHBondContact O-CG 3.4Å; I507-E511 PolarHBondContact O-N 2.98Å; E508-E511 PolarHBondContact O-N 3.42Å; E511-M513 PolarHBondContact O-N 3.26Å; E511-G515 CarbonylContact O-C 3.22Å; E511-G515 WeakPolarHBondContact O-CA 3.43Å; E511-G515 PolarHBondContact O-N 2.67Å; E511-K517 PolarHBondContact OE1-N 3.07Å; E511-W522 HydrophobicContact CG-CZ2 3.74Å; E511-W522 PolarHBondContact OE1-NE1 3.28Å
512	M	95.7	Very high	95.2	Very high	43 Å²	43	56.1 Å²	56.1	21%	0.212	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-29.2	169.1	-69.4	174.8	61.3	0	0	112.4	F99 F339 K340 E508 D509 I510 P608 H613 Y618	F99-M512 HydrophobicContact CE2-CE 4.41Å; F99-M512 HydrophobicContact CE2-SD 4.17Å; F339-M512 HydrophobicContact CE1-CB 4.39Å; F339-M512 WeakPolarHBondContact CE1-O 3.16Å; F339-M512 HydrophobicContact CZ-CB 4.21Å; F339-M512 HydrophobicContact CZ-CE 4.49Å; K340-M512 PolarHBondContact NZ-O 2.99Å; E508-M512 WeakPolarHBondContact O-CG 3.31Å; E508-M512 PolarHBondContact O-N 2.88Å; D509-M512 WeakPolarHBondContact O-CB 3.37Å; D509-M512 PolarHBondContact O-N 3.49Å; I510-M512 PolarHBondContact O-N 3.48Å; M512-P608 HydrophobicContact CE-CG 4.23Å; M512-H613 VanDerWaalsContact CE-O 3.26Å; M512-H613 WeakPolarHBondContact CE-O 3.38Å; M512-Y618 HydrophobicContact CE-CD2 4.1Å; M512-Y618 HydrophobicContact CE-CE2 4.31Å; M512-Y618 HydrophobicContact SD-CD2 4.24Å; M512-Y618 HydrophobicContact SD-CE2 3.89Å
513	M	96.3	Very high	95.2	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.02	28%	0.283	C	S	.	.	H	α-helix	trans	-88.4	-55.1	178.6	-63.3	-175	-71.4	0	0	112.5	S95 Q98 F99 F339 K340 I510 E511	S95-M513 WeakPolarHBondContact O-CE 3.44Å; Q98-M513 HydrophobicContact CB-SD 4.02Å; Q98-M513 HydrophobicContact CG-SD 3.75Å; F99-M513 WeakPolarHBondContact CA-SD 3.29Å; F99-M513 HydrophobicContact CB-CE 3.81Å; F99-M513 HydrophobicContact CB-SD 3.71Å; F99-M513 HydrophobicContact CD2-CE 4.47Å; F99-M513 HydrophobicContact CD2-CG 4.3Å; F99-M513 HydrophobicContact CD2-SD 4.35Å; F99-M513 PolarHBondContact N-SD 2.93Å; F99-M513 VanDerWaalsContact N-SD 3.44Å; F339-M513 HydrophobicContact CD1-CG 4.44Å; F339-M513 HydrophobicContact CD2-CG 4.26Å; F339-M513 HydrophobicContact CE1-CG 4.09Å; F339-M513 HydrophobicContact CE2-CG 3.91Å; F339-M513 HydrophobicContact CZ-CG 3.81Å; F339-M513 WeakPolarHBondContact O-CB 3.21Å; F339-M513 WeakPolarHBondContact O-CG 3.29Å; K340-M513 WeakPolarHBondContact CD-O 3.29Å; I510-M513 HydrophobicContact CB-CE 4.45Å; I510-M513 HydrophobicContact CG1-CE 4.35Å; I510-M513 WeakPolarHBondContact O-CA 3.33Å; I510-M513 WeakPolarHBondContact O-CB 3.39Å; I510-M513 PolarHBondContact O-N 3.49Å; E511-M513 PolarHBondContact O-N 3.26Å
514	I	96.1	Very high	95.2	Very high	21 Å²	21	65.1 Å²	65.1	11%	0.108	31%	0.307	C	S	.	.	H	α-helix	trans	-100.2	3.3	-169.3	71.5	175.1	0	0	0	114.3	F91 F344 I510 K517	F91-I514 HydrophobicContact CZ-CD1 4.43Å; F344-I514 HydrophobicContact CB-CD1 4.03Å; I510-I514 HydrophobicContact CG2-CD1 3.64Å; I510-I514 HydrophobicContact CG2-CG1 3.88Å; I510-I514 PolarHBondContact O-N 3.19Å; I514-K517 PolarHBondContact O-NZ 3.4Å
515	G	94.1	Very high	95.2	Very high	33 Å²	33	62.1 Å²	62.1	34%	0.34	29%	0.29	S	S	.	.			trans	81.6	157	-174.9	0	0	0	0	0	113.3	E511	E511-G515 CarbonylContact O-C 3.22Å; E511-G515 WeakPolarHBondContact O-CA 3.43Å; E511-G515 PolarHBondContact O-N 2.67Å
516	A	91.9	Very high	95.3	Very high	86 Å²	86	60.1 Å²	60.1	71%	0.711	28%	0.282	S	S	*	.			trans	-58.1	139.7	179.2	0	0	0	0	0	112.1
517	K	93.8	Very high	95.3	Very high	85 Å²	85	62.1 Å²	62.1	37%	0.37	30%	0.299	S	S	.	.			trans	-119.7	162.5	178.5	-56.2	-64.1	177.8	-169.6	0	110.8	E511 I514 F521 W522	E511-K517 PolarHBondContact OE1-N 3.07Å; I514-K517 PolarHBondContact O-NZ 3.4Å; K517-F521 HydrophobicContact CB-CB 4.13Å; K517-F521 HydrophobicContact CB-CD1 3.54Å; K517-F521 HydrophobicContact CB-CE1 4.15Å; K517-F521 HydrophobicContact CB-CG 3.93Å; K517-F521 HydrophobicContact CG-CD1 3.75Å; K517-F521 HydrophobicContact CG-CE1 3.82Å; K517-F521 HydrophobicContact CG-CG 4.26Å; K517-F521 HydrophobicContact CG-CZ 4.37Å; K517-W522 HydrophobicContact CG-CZ2 4.32Å
518	R	92.7	Very high	95.2	Very high	210 Å²	210	62 Å²	62	79%	0.792	30%	0.298	S	S	*	.			trans	-70.4	151	176.2	-62.2	-179.5	-175	178.5	1.1	109.9	I520 F521	R518-I520 HydrophobicContact CB-CG2 4.14Å; R518-I520 PolarHBondContact O-N 3.42Å; R518-I520 VanDerWaalsContact O-N 3.15Å; R518-F521 VanDerWaalsContact O-CB 3.27Å; R518-F521 WeakPolarHBondContact O-CB 3.39Å; R518-F521 PolarHBondContact O-N 3.26Å
519	W	91.1	Very high	95.3	Very high	160 Å²	160	57.4 Å²	57.4	61%	0.606	28%	0.277	S	S	*	.	H	α-helix	trans	-54.3	-38.2	179.1	-179.8	86.7	0	0	0	113.8	F521 W522 L523	W519-F521 PolarHBondContact O-N 3.15Å; W519-W522 PolarHBondContact O-N 2.98Å; W519-L523 HydrophobicContact CH2-CD1 3.7Å; W519-L523 HydrophobicContact CH2-CD2 4.19Å; W519-L523 HydrophobicContact CH2-CG 4.41Å; W519-L523 HydrophobicContact CZ2-CD1 3.94Å; W519-L523 HydrophobicContact CZ3-CD1 4.33Å; W519-L523 HydrophobicContact CZ3-CD2 4.12Å; W519-L523 PolarHBondContact O-N 3.01Å; W519-L523 VanDerWaalsContact O-N 3.16Å
520	I	93.1	Very high	95.3	Very high	114 Å²	114	60 Å²	60	59%	0.585	29%	0.288	S	S	*	.	H	α-helix	trans	-61.5	-31	178.9	-167.5	59.8	0	0	0	113.2	R518 W522 L523	R518-I520 HydrophobicContact CB-CG2 4.14Å; R518-I520 PolarHBondContact O-N 3.42Å; R518-I520 VanDerWaalsContact O-N 3.15Å; I520-W522 VanDerWaalsContact C-N 3.33Å; I520-L523 HydrophobicContact CD1-CB 4.47Å; I520-L523 HydrophobicContact CD1-CD2 3.84Å; I520-L523 WeakPolarHBondContact O-CB 3.4Å; I520-L523 PolarHBondContact O-N 2.94Å
521	F	94.3	Very high	95.3	Very high	51 Å²	51	63.8 Å²	63.8	22%	0.224	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-43.3	175.6	168.9	-91.2	0	0	0	110.4	F344 K517 R518 W519 L523	F344-F521 HydrophobicContact CD1-CE2 4.41Å; F344-F521 HydrophobicContact CD1-CZ 4.45Å; F344-F521 HydrophobicContact CD2-CE2 4.03Å; F344-F521 AromaticContact CD2-CZ 3.59Å; F344-F521 HydrophobicContact CD2-CZ 3.59Å; F344-F521 AromaticContact CE1-CE2 3.95Å; F344-F521 HydrophobicContact CE1-CE2 3.95Å; F344-F521 HydrophobicContact CE1-CZ 4.4Å; F344-F521 AromaticContact CE2-CE2 3.45Å; F344-F521 HydrophobicContact CE2-CE2 3.45Å; F344-F521 VanDerWaalsContact CE2-CE2 3.45Å; F344-F521 AromaticContact CE2-CZ 3.45Å; F344-F521 HydrophobicContact CE2-CZ 3.45Å; F344-F521 VanDerWaalsContact CE2-CZ 3.45Å; F344-F521 HydrophobicContact CG-CE2 4.45Å; F344-F521 HydrophobicContact CG-CZ 4.08Å; F344-F521 AromaticContact CZ-CE2 3.44Å; F344-F521 HydrophobicContact CZ-CE2 3.44Å; F344-F521 VanDerWaalsContact CZ-CE2 3.44Å; F344-F521 AromaticContact CZ-CZ 3.92Å; F344-F521 HydrophobicContact CZ-CZ 3.92Å; K517-F521 HydrophobicContact CB-CB 4.13Å; K517-F521 HydrophobicContact CB-CD1 3.54Å; K517-F521 HydrophobicContact CB-CE1 4.15Å; K517-F521 HydrophobicContact CB-CG 3.93Å; K517-F521 HydrophobicContact CG-CD1 3.75Å; K517-F521 HydrophobicContact CG-CE1 3.82Å; K517-F521 HydrophobicContact CG-CG 4.26Å; K517-F521 HydrophobicContact CG-CZ 4.37Å; R518-F521 VanDerWaalsContact O-CB 3.27Å; R518-F521 WeakPolarHBondContact O-CB 3.39Å; R518-F521 PolarHBondContact O-N 3.26Å; W519-F521 PolarHBondContact O-N 3.15Å; F521-L523 VanDerWaalsContact C-N 3.33Å; F521-L523 PolarHBondContact O-N 3Å
522	W	96.1	Very high	95.3	Very high	6 Å²	6	64.4 Å²	64.4	2%	0.023	32%	0.316	C	S	.	.	H	α-helix	trans	-76.9	-15.9	-178.8	-67.8	119.4	0	0	0	114.3	F91 I507 I510 E511 K517 W519 I520 W524 W525 R526 W529	F91-W522 HydrophobicContact CE1-CH2 4.46Å; F91-W522 HydrophobicContact CE1-CZ3 4.12Å; I507-W522 HydrophobicContact CD1-CB 4.47Å; I507-W522 HydrophobicContact CD1-CD2 4.27Å; I507-W522 HydrophobicContact CD1-CE3 4.1Å; I507-W522 HydrophobicContact CD1-CG 4.44Å; I507-W522 HydrophobicContact CG1-CD2 4.16Å; I507-W522 HydrophobicContact CG1-CE3 3.82Å; I507-W522 HydrophobicContact CG1-CZ3 4.02Å; I507-W522 HydrophobicContact CG2-CD2 3.66Å; I507-W522 VanDerWaalsContact CG2-CE2 3.44Å; I507-W522 HydrophobicContact CG2-CE3 4.14Å; I507-W522 HydrophobicContact CG2-CG 4.07Å; I507-W522 HydrophobicContact CG2-CH2 4.23Å; I507-W522 HydrophobicContact CG2-CZ2 3.77Å; I507-W522 HydrophobicContact CG2-CZ3 4.39Å; I510-W522 HydrophobicContact CB-CH2 3.94Å; I510-W522 HydrophobicContact CD1-CH2 4.1Å; I510-W522 HydrophobicContact CD1-CZ3 4.25Å; I510-W522 HydrophobicContact CG2-CH2 3.7Å; I510-W522 HydrophobicContact CG2-CZ2 4.4Å; E511-W522 HydrophobicContact CG-CZ2 3.74Å; E511-W522 PolarHBondContact OE1-NE1 3.28Å; K517-W522 HydrophobicContact CG-CZ2 4.32Å; W519-W522 PolarHBondContact O-N 2.98Å; I520-W522 VanDerWaalsContact C-N 3.33Å; W522-W524 PolarHBondContact O-N 2.94Å; W522-W525 HydrophobicContact CE3-CB 4.2Å; W522-W525 HydrophobicContact CE3-CG 4.37Å; W522-W525 PolarHBondContact O-N 3.07Å; W522-R526 WeakPolarHBondContact O-CB 3.15Å; W522-R526 VanDerWaalsContact O-CG 3.26Å; W522-R526 WeakPolarHBondContact O-CG 3.38Å; W522-R526 PolarHBondContact O-N 3.45Å; W522-W529 HydrophobicContact CZ3-CH2 4.18Å; W522-W529 HydrophobicContact CZ3-CZ3 4.15Å
523	L	95.6	Very high	95.2	Very high	73 Å²	73	62.4 Å²	62.4	38%	0.382	31%	0.306	S	S	.	.	H	α-helix	trans	-57.2	-47.3	-175.8	-178.1	61.4	0	0	0	112.2	W519 I520 F521 R526 A527	W519-L523 HydrophobicContact CH2-CD1 3.7Å; W519-L523 HydrophobicContact CH2-CD2 4.19Å; W519-L523 HydrophobicContact CH2-CG 4.41Å; W519-L523 HydrophobicContact CZ2-CD1 3.94Å; W519-L523 HydrophobicContact CZ3-CD1 4.33Å; W519-L523 HydrophobicContact CZ3-CD2 4.12Å; W519-L523 PolarHBondContact O-N 3.01Å; W519-L523 VanDerWaalsContact O-N 3.16Å; I520-L523 HydrophobicContact CD1-CB 4.47Å; I520-L523 HydrophobicContact CD1-CD2 3.84Å; I520-L523 WeakPolarHBondContact O-CB 3.4Å; I520-L523 PolarHBondContact O-N 2.94Å; F521-L523 VanDerWaalsContact C-N 3.33Å; F521-L523 PolarHBondContact O-N 3Å; L523-R526 PolarHBondContact O-N 3.01Å; L523-A527 WeakPolarHBondContact O-CB 3.35Å; L523-A527 PolarHBondContact O-N 3.13Å
524	W	95.8	Very high	95.1	Very high	138 Å²	138	62.6 Å²	62.6	52%	0.523	31%	0.308	S	S	.	.	H	α-helix	trans	-60.6	-52.9	176.8	-178.4	-59	0	0	0	111.2	A83 W522 R526 A527 C528	A83-W524 HydrophobicContact CB-CZ2 4.02Å; A83-W524 PolarHBondContact O-NE1 2.92Å; W522-W524 PolarHBondContact O-N 2.94Å; W524-R526 VanDerWaalsContact C-N 3.27Å; W524-R526 PolarHBondContact O-N 3.39Å; W524-A527 WeakPolarHBondContact O-CB 3.44Å; W524-A527 PolarHBondContact O-N 3.48Å; W524-A527 VanDerWaalsContact O-N 3.12Å; W524-C528 VanDerWaalsContact CD1-SG 3.56Å; W524-C528 PolarHBondContact NE1-SG 3.47Å; W524-C528 PolarHBondContact O-N 2.98Å
525	W	96.2	Very high	95	Very high	16 Å²	16	66.8 Å²	66.8	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-61.5	-38.6	-176.9	-58.5	99.5	0	0	0	111.6	L87 F91 F344 W522 C528 W529	L87-W525 HydrophobicContact CD1-CH2 4.34Å; L87-W525 HydrophobicContact CD2-CH2 4.09Å; L87-W525 HydrophobicContact CG-CH2 3.8Å; L87-W525 HydrophobicContact CG-CZ3 4.29Å; F91-W525 HydrophobicContact CB-CE3 4.42Å; F91-W525 HydrophobicContact CB-CH2 4.03Å; F91-W525 HydrophobicContact CB-CZ3 3.61Å; F91-W525 AromaticContact CD1-CD2 3.94Å; F91-W525 HydrophobicContact CD1-CD2 3.94Å; F91-W525 AromaticContact CD1-CE3 3.53Å; F91-W525 HydrophobicContact CD1-CE3 3.53Å; F91-W525 AromaticContact CD1-CH2 3.88Å; F91-W525 HydrophobicContact CD1-CH2 3.88Å; F91-W525 HydrophobicContact CD1-CZ2 4.33Å; F91-W525 AromaticContact CD1-CZ3 3.45Å; F91-W525 HydrophobicContact CD1-CZ3 3.45Å; F91-W525 VanDerWaalsContact CD1-CZ3 3.45Å; F91-W525 HydrophobicContact CE1-CD2 4.25Å; F91-W525 HydrophobicContact CE1-CE3 4.28Å; F91-W525 HydrophobicContact CE1-CZ3 4.46Å; F91-W525 HydrophobicContact CG-CE3 4.41Å; F91-W525 HydrophobicContact CG-CH2 4.16Å; F91-W525 AromaticContact CG-CZ3 3.89Å; F91-W525 HydrophobicContact CG-CZ3 3.89Å; F344-W525 AromaticContact CD2-CZ2 3.96Å; F344-W525 HydrophobicContact CD2-CZ2 3.96Å; F344-W525 AromaticContact CE2-CE2 3.88Å; F344-W525 HydrophobicContact CE2-CH2 4.35Å; F344-W525 AromaticContact CE2-CZ2 3.42Å; F344-W525 HydrophobicContact CE2-CZ2 3.42Å; F344-W525 VanDerWaalsContact CE2-CZ2 3.42Å; F344-W525 AromaticContact CE2-NE1 3.89Å; F344-W525 HydrophobicContact CZ-CZ2 4.49Å; W522-W525 HydrophobicContact CE3-CB 4.2Å; W522-W525 HydrophobicContact CE3-CG 4.37Å; W522-W525 PolarHBondContact O-N 3.07Å; W525-C528 PolarHBondContact O-N 3.48Å; W525-W529 HydrophobicContact CB-CD2 4.32Å; W525-W529 HydrophobicContact CB-CE3 4.06Å; W525-W529 HydrophobicContact CB-CH2 4.25Å; W525-W529 HydrophobicContact CB-CZ2 4.5Å; W525-W529 HydrophobicContact CB-CZ3 4.02Å; W525-W529 HydrophobicContact CE3-CZ2 4.01Å; W525-W529 WeakPolarHBondContact O-CB 3.27Å; W525-W529 VanDerWaalsContact O-CG 3.23Å; W525-W529 PolarHBondContact O-N 2.85Å
526	R	96.7	Very high	94.9	Very high	75 Å²	75	66.3 Å²	66.3	28%	0.283	32%	0.319	S	S	.	.	H	α-helix	trans	-63.2	-47.4	173.3	-73.4	176.7	176.9	-152	0.5	111.6	N504 I507 W522 L523 W524 C528 W529 F530	N504-R526 PolarHBondContact OD1-NH2 2.68Å; I507-R526 HydrophobicContact CD1-CG 3.75Å; W522-R526 WeakPolarHBondContact O-CB 3.15Å; W522-R526 VanDerWaalsContact O-CG 3.26Å; W522-R526 WeakPolarHBondContact O-CG 3.38Å; W522-R526 PolarHBondContact O-N 3.45Å; L523-R526 PolarHBondContact O-N 3.01Å; W524-R526 VanDerWaalsContact C-N 3.27Å; W524-R526 PolarHBondContact O-N 3.39Å; R526-C528 VanDerWaalsContact C-N 3.31Å; R526-C528 PolarHBondContact O-N 3.43Å; R526-W529 PolarHBondContact O-N 3.01Å; R526-F530 HydrophobicContact CB-CD2 4.26Å; R526-F530 HydrophobicContact CG-CE2 4.36Å; R526-F530 WeakPolarHBondContact O-CB 3.47Å; R526-F530 WeakPolarHBondContact O-CD2 3.34Å; R526-F530 PolarHBondContact O-N 3.24Å
527	A	97.3	Very high	94.8	Very high	43 Å²	43	62.2 Å²	62.2	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-58.6	-44.5	177.5	0	0	0	0	0	111.5	L523 W524 V531 I532	L523-A527 WeakPolarHBondContact O-CB 3.35Å; L523-A527 PolarHBondContact O-N 3.13Å; W524-A527 WeakPolarHBondContact O-CB 3.44Å; W524-A527 PolarHBondContact O-N 3.48Å; W524-A527 VanDerWaalsContact O-N 3.12Å; A527-V531 PolarHBondContact O-N 3.32Å; A527-V531 VanDerWaalsContact O-N 3.16Å; A527-I532 HydrophobicContact CB-CD1 4.27Å; A527-I532 PolarHBondContact O-N 3.41Å
528	C	97.2	Very high	94.7	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.007	29%	0.285	C	S	.	.	I	π-helix	trans	-64.3	-55.7	176.1	-69.3	0	0	0	0	112.3	P88 W524 W525 R526 I532 T533 P534	P88-C528 HydrophobicContact CB-CB 3.82Å; P88-C528 HydrophobicContact CG-CB 3.6Å; W524-C528 VanDerWaalsContact CD1-SG 3.56Å; W524-C528 PolarHBondContact NE1-SG 3.47Å; W524-C528 PolarHBondContact O-N 2.98Å; W525-C528 PolarHBondContact O-N 3.48Å; R526-C528 VanDerWaalsContact C-N 3.31Å; R526-C528 PolarHBondContact O-N 3.43Å; C528-I532 PolarHBondContact O-N 3.35Å; C528-T533 VanDerWaalsContact O-CB 3.3Å; C528-T533 WeakPolarHBondContact O-CB 3.28Å; C528-T533 PolarHBondContact O-N 3.48Å; C528-T533 PolarHBondContact O-OG1 2.99Å; C528-T533 VanDerWaalsContact O-OG1 3.09Å; C528-P534 WeakPolarHBondContact O-CD 3.39Å
529	W	97.5	Very high	94.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.268	C	S	.	.	I	π-helix	trans	-67.1	-40.4	-172.9	-72.9	-23.1	0	0	0	114.1	P88 F91 L92 I498 F506 I507 I510 W522 W525 R526 P534	P88-W529 PolarHBondContact O-NE1 2.92Å; F91-W529 AromaticContact CD1-CH2 3.85Å; F91-W529 HydrophobicContact CD1-CH2 3.85Å; F91-W529 AromaticContact CD1-CZ2 3.62Å; F91-W529 HydrophobicContact CD1-CZ2 3.62Å; F91-W529 AromaticContact CE1-CH2 3.84Å; F91-W529 HydrophobicContact CE1-CH2 3.84Å; F91-W529 HydrophobicContact CE1-CZ2 4.11Å; L92-W529 HydrophobicContact CB-CZ2 4.06Å; L92-W529 HydrophobicContact CD1-CG 4.5Å; I498-W529 HydrophobicContact CD1-CB 3.75Å; I498-W529 HydrophobicContact CD1-CD2 3.99Å; I498-W529 HydrophobicContact CD1-CE3 4.03Å; I498-W529 HydrophobicContact CD1-CG 3.91Å; I498-W529 HydrophobicContact CG1-CB 3.87Å; I498-W529 HydrophobicContact CG1-CG 4.32Å; I498-W529 HydrophobicContact CG2-CB 4.18Å; F506-W529 HydrophobicContact CD1-CZ3 4.45Å; F506-W529 HydrophobicContact CE1-CH2 4.38Å; I507-W529 HydrophobicContact CG1-CZ3 4.05Å; I510-W529 HydrophobicContact CD1-CH2 3.68Å; I510-W529 HydrophobicContact CD1-CZ3 4.24Å; W522-W529 HydrophobicContact CZ3-CH2 4.18Å; W522-W529 HydrophobicContact CZ3-CZ3 4.15Å; W525-W529 HydrophobicContact CB-CD2 4.32Å; W525-W529 HydrophobicContact CB-CE3 4.06Å; W525-W529 HydrophobicContact CB-CH2 4.25Å; W525-W529 HydrophobicContact CB-CZ2 4.5Å; W525-W529 HydrophobicContact CB-CZ3 4.02Å; W525-W529 HydrophobicContact CE3-CZ2 4.01Å; W525-W529 WeakPolarHBondContact O-CB 3.27Å; W525-W529 VanDerWaalsContact O-CG 3.23Å; W525-W529 PolarHBondContact O-N 2.85Å; R526-W529 PolarHBondContact O-N 3.01Å; W529-P534 VanDerWaalsContact O-CG 3.27Å; W529-P534 WeakPolarHBondContact O-CG 3.36Å
530	F	97.1	Very high	94.2	Very high	53 Å²	53	47.2 Å²	47.2	23%	0.232	24%	0.243	C	C	.	.	I	π-helix	trans	-82.3	-34.4	-178.5	-76.4	-92.4	0	0	0	112.4	I498 W499 R526	I498-F530 HydrophobicContact CG2-CD1 3.63Å; I498-F530 HydrophobicContact CG2-CD2 3.74Å; I498-F530 HydrophobicContact CG2-CE1 3.63Å; I498-F530 HydrophobicContact CG2-CE2 3.75Å; I498-F530 HydrophobicContact CG2-CG 3.69Å; I498-F530 HydrophobicContact CG2-CZ 3.71Å; W499-F530 WeakPolarHBondContact CZ2-O 3.49Å; W499-F530 PolarHBondContact NE1-O 3.3Å; R526-F530 HydrophobicContact CB-CD2 4.26Å; R526-F530 HydrophobicContact CG-CE2 4.36Å; R526-F530 WeakPolarHBondContact O-CB 3.47Å; R526-F530 WeakPolarHBondContact O-CD2 3.34Å; R526-F530 PolarHBondContact O-N 3.24Å
531	V	96.3	Very high	93.9	Very high	81 Å²	81	43.8 Å²	43.8	49%	0.491	22%	0.223	S	C	.	.	I	π-helix	trans	-125.1	-61.9	-167	-174.7	0	0	0	0	112.4	A527 I535	A527-V531 PolarHBondContact O-N 3.32Å; A527-V531 VanDerWaalsContact O-N 3.16Å; V531-I535 HydrophobicContact CG1-CD1 3.75Å; V531-I535 WeakPolarHBondContact O-CB 3.39Å; V531-I535 WeakPolarHBondContact O-CD1 3.38Å; V531-I535 WeakPolarHBondContact O-CG1 3.43Å; V531-I535 PolarHBondContact O-N 2.92Å
532	I	95.8	Very high	93.6	Very high	60 Å²	60	45.8 Å²	45.8	31%	0.308	24%	0.236	S	C	.	.	I	π-helix	trans	-69.7	-53.1	-164.5	-55.9	168.8	0	0	0	111.3	L84 A527 C528 I535 L536	L84-I532 HydrophobicContact CB-CG2 3.94Å; L84-I532 HydrophobicContact CD1-CG2 4.04Å; L84-I532 HydrophobicContact CD2-CD1 4.19Å; L84-I532 HydrophobicContact CD2-CG2 4.26Å; L84-I532 HydrophobicContact CG-CG2 4.3Å; A527-I532 HydrophobicContact CB-CD1 4.27Å; A527-I532 PolarHBondContact O-N 3.41Å; C528-I532 PolarHBondContact O-N 3.35Å; I532-I535 PolarHBondContact O-N 3.48Å; I532-L536 WeakPolarHBondContact O-CB 3.37Å; I532-L536 PolarHBondContact O-N 2.81Å
533	T	94.8	Very high	93	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-45.8	-174.9	-48.7	0	0	0	0	112.5	L84 A85 L89 I494 C528 I535 L536 L537	L84-T533 PolarHBondContact O-OG1 3.01Å; A85-T533 HydrophobicContact CB-CG2 4.21Å; L89-T533 HydrophobicContact CD1-CG2 3.71Å; L89-T533 HydrophobicContact CD2-CG2 4.16Å; L89-T533 HydrophobicContact CG-CG2 3.79Å; I494-T533 HydrophobicContact CD1-CG2 3.71Å; C528-T533 VanDerWaalsContact O-CB 3.3Å; C528-T533 WeakPolarHBondContact O-CB 3.28Å; C528-T533 PolarHBondContact O-N 3.48Å; C528-T533 PolarHBondContact O-OG1 2.99Å; C528-T533 VanDerWaalsContact O-OG1 3.09Å; T533-I535 PolarHBondContact O-N 3.42Å; T533-L536 PolarHBondContact O-N 3.48Å; T533-L537 HydrophobicContact CG2-CD1 4.14Å; T533-L537 HydrophobicContact CG2-CG 4.38Å; T533-L537 WeakPolarHBondContact O-CB 3.34Å; T533-L537 WeakPolarHBondContact O-CG 3.45Å; T533-L537 PolarHBondContact O-N 2.94Å
534	P	94.3	Very high	92.3	Very high	9 Å²	9	46.6 Å²	46.6	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-45.4	176.2	-23.5	33.4	0	0	0	113.3	I494 C528 W529 L536 L537 I538	I494-P534 HydrophobicContact CD1-CG 3.73Å; I494-P534 HydrophobicContact CG1-CG 4.05Å; I494-P534 HydrophobicContact CG2-CB 4.3Å; I494-P534 HydrophobicContact CG2-CG 4.06Å; C528-P534 WeakPolarHBondContact O-CD 3.39Å; W529-P534 VanDerWaalsContact O-CG 3.27Å; W529-P534 WeakPolarHBondContact O-CG 3.36Å; P534-L536 VanDerWaalsContact C-N 3.34Å; P534-L536 PolarHBondContact O-N 3.38Å; P534-L537 PolarHBondContact O-N 3.18Å; P534-I538 WeakPolarHBondContact O-CB 3.39Å; P534-I538 WeakPolarHBondContact O-CD1 3.44Å; P534-I538 VanDerWaalsContact O-CG1 3.25Å; P534-I538 WeakPolarHBondContact O-CG1 3.15Å; P534-I538 PolarHBondContact O-N 3.31Å
535	I	94.2	Very high	91.7	Very high	109 Å²	109	43.5 Å²	43.5	56%	0.559	23%	0.231	S	C	*	.	H	α-helix	trans	-62.2	-45.6	179.7	-69.2	171.6	0	0	0	110.3	V531 I532 T533 I538 A539	V531-I535 HydrophobicContact CG1-CD1 3.75Å; V531-I535 WeakPolarHBondContact O-CB 3.39Å; V531-I535 WeakPolarHBondContact O-CD1 3.38Å; V531-I535 WeakPolarHBondContact O-CG1 3.43Å; V531-I535 PolarHBondContact O-N 2.92Å; I532-I535 PolarHBondContact O-N 3.48Å; T533-I535 PolarHBondContact O-N 3.42Å; I535-I538 PolarHBondContact O-N 3.24Å; I535-A539 VanDerWaalsContact O-CB 3.31Å; I535-A539 WeakPolarHBondContact O-CB 3.34Å; I535-A539 PolarHBondContact O-N 3.03Å
536	L	91.3	Very high	91.2	Very high	23 Å²	23	48.2 Å²	48.2	12%	0.12	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-45.2	-179.7	-175.5	154	0	0	0	111.5	M81 L84 A85 I532 T533 P534 A539 I540	M81-L536 HydrophobicContact CE-CD1 3.94Å; M81-L536 HydrophobicContact CE-CG 4.4Å; M81-L536 HydrophobicContact SD-CD1 3.62Å; M81-L536 HydrophobicContact SD-CD2 3.91Å; M81-L536 HydrophobicContact SD-CG 4.09Å; L84-L536 HydrophobicContact CB-CD1 4.39Å; A85-L536 HydrophobicContact CB-CD1 4.44Å; A85-L536 HydrophobicContact CB-CD2 3.79Å; I532-L536 WeakPolarHBondContact O-CB 3.37Å; I532-L536 PolarHBondContact O-N 2.81Å; T533-L536 PolarHBondContact O-N 3.48Å; P534-L536 VanDerWaalsContact C-N 3.34Å; P534-L536 PolarHBondContact O-N 3.38Å; L536-A539 PolarHBondContact O-N 3.16Å; L536-I540 HydrophobicContact CD2-CD1 3.41Å; L536-I540 VanDerWaalsContact CD2-CD1 3.41Å; L536-I540 HydrophobicContact CD2-CG1 4.49Å; L536-I540 HydrophobicContact CG-CD1 4.28Å; L536-I540 WeakPolarHBondContact O-CD1 3.2Å; L536-I540 VanDerWaalsContact O-CG1 3.28Å; L536-I540 WeakPolarHBondContact O-CG1 3.35Å; L536-I540 PolarHBondContact O-N 2.9Å
537	L	89.8	Confident	90.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-47.4	176	-82.4	178.1	0	0	0	112.7	L89 F320 L487 A490 I491 I494 T533 P534 A539 I540 F541	L89-L537 HydrophobicContact CD1-CD1 4.04Å; F320-L537 HydrophobicContact CD1-CD2 4.43Å; F320-L537 HydrophobicContact CE1-CD2 3.51Å; F320-L537 HydrophobicContact CE1-CG 4.47Å; F320-L537 HydrophobicContact CE2-CD2 3.73Å; F320-L537 HydrophobicContact CZ-CD1 4.49Å; F320-L537 HydrophobicContact CZ-CD2 3.12Å; F320-L537 HydrophobicContact CZ-CG 3.93Å; L487-L537 HydrophobicContact CD2-CD2 4.01Å; A490-L537 HydrophobicContact CB-CD1 3.93Å; A490-L537 HydrophobicContact CB-CD2 4.29Å; I491-L537 HydrophobicContact CD1-CB 4.29Å; I491-L537 HydrophobicContact CG1-CB 3.65Å; I491-L537 HydrophobicContact CG1-CD1 4.2Å; I491-L537 HydrophobicContact CG1-CG 4.48Å; I494-L537 HydrophobicContact CG2-CD1 4.36Å; T533-L537 HydrophobicContact CG2-CD1 4.14Å; T533-L537 HydrophobicContact CG2-CG 4.38Å; T533-L537 WeakPolarHBondContact O-CB 3.34Å; T533-L537 WeakPolarHBondContact O-CG 3.45Å; T533-L537 PolarHBondContact O-N 2.94Å; P534-L537 PolarHBondContact O-N 3.18Å; L537-A539 VanDerWaalsContact C-N 3.32Å; L537-A539 PolarHBondContact O-N 2.91Å; L537-I540 PolarHBondContact O-N 3.33Å; L537-F541 WeakPolarHBondContact O-CB 3.48Å; L537-F541 PolarHBondContact O-N 3.08Å
538	I	91.7	Very high	89.7	Confident	72 Å²	72	52.2 Å²	52.2	37%	0.369	27%	0.269	S	S	.	.	H	α-helix	trans	-62.5	-42	178.2	-69	166.4	0	0	0	110.3	I491 P534 I535 F541 I542	I491-I538 HydrophobicContact CD1-CG1 4.05Å; I491-I538 HydrophobicContact CG1-CG1 4.28Å; I491-I538 HydrophobicContact CG2-CG1 4.16Å; P534-I538 WeakPolarHBondContact O-CB 3.39Å; P534-I538 WeakPolarHBondContact O-CD1 3.44Å; P534-I538 VanDerWaalsContact O-CG1 3.25Å; P534-I538 WeakPolarHBondContact O-CG1 3.15Å; P534-I538 PolarHBondContact O-N 3.31Å; I535-I538 PolarHBondContact O-N 3.24Å; I538-F541 PolarHBondContact O-N 2.9Å; I538-I542 HydrophobicContact CG2-CD1 3.68Å; I538-I542 HydrophobicContact CG2-CG1 4.33Å; I538-I542 WeakPolarHBondContact O-CB 3.34Å; I538-I542 VanDerWaalsContact O-CG1 3.31Å; I538-I542 WeakPolarHBondContact O-CG1 3.5Å; I538-I542 PolarHBondContact O-N 3.22Å
539	A	89.2	Confident	89	Confident	54 Å²	54	58 Å²	58	45%	0.446	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-46.2	177.7	0	0	0	0	0	112.1	I535 L536 L537 F541 W543	I535-A539 VanDerWaalsContact O-CB 3.31Å; I535-A539 WeakPolarHBondContact O-CB 3.34Å; I535-A539 PolarHBondContact O-N 3.03Å; L536-A539 PolarHBondContact O-N 3.16Å; L537-A539 VanDerWaalsContact C-N 3.32Å; L537-A539 PolarHBondContact O-N 2.91Å; A539-F541 VanDerWaalsContact C-N 3.34Å; A539-W543 VanDerWaalsContact O-CB 3.25Å; A539-W543 WeakPolarHBondContact O-CB 3.48Å; A539-W543 PolarHBondContact O-N 3.37Å
540	I	84.9	Confident	88.3	Confident	14 Å²	14	65.3 Å²	65.3	7%	0.072	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-43.3	176.5	-67.2	161.8	0	0	0	110.8	K313 A316 L487 L536 L537 W543 S544	K313-I540 HydrophobicContact CG-CG2 4.42Å; A316-I540 HydrophobicContact CB-CD1 3.22Å; A316-I540 HydrophobicContact CB-CG1 4.17Å; L487-I540 HydrophobicContact CD1-CG2 4.03Å; L487-I540 HydrophobicContact CD2-CG2 4.41Å; L536-I540 HydrophobicContact CD2-CD1 3.41Å; L536-I540 VanDerWaalsContact CD2-CD1 3.41Å; L536-I540 HydrophobicContact CD2-CG1 4.49Å; L536-I540 HydrophobicContact CG-CD1 4.28Å; L536-I540 WeakPolarHBondContact O-CD1 3.2Å; L536-I540 VanDerWaalsContact O-CG1 3.28Å; L536-I540 WeakPolarHBondContact O-CG1 3.35Å; L536-I540 PolarHBondContact O-N 2.9Å; L537-I540 PolarHBondContact O-N 3.33Å; I540-W543 PolarHBondContact O-N 3.22Å; I540-S544 VanDerWaalsContact O-CB 3.26Å; I540-S544 WeakPolarHBondContact O-CB 3.48Å; I540-S544 PolarHBondContact O-N 3.06Å
541	F	86.9	Confident	87.8	Confident	41 Å²	41	63.1 Å²	63.1	18%	0.18	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-51.5	179.8	177.9	-109.6	0	0	0	111.7	W484 L487 I488 I491 L537 I538 A539 W543 S544 L545	W484-F541 HydrophobicContact CB-CE2 4.33Å; L487-F541 HydrophobicContact CB-CD2 4.08Å; L487-F541 HydrophobicContact CD1-CD2 4.44Å; I488-F541 HydrophobicContact CD1-CE2 3.78Å; I488-F541 HydrophobicContact CD1-CZ 3.83Å; I488-F541 HydrophobicContact CG1-CD2 4.18Å; I488-F541 HydrophobicContact CG1-CE2 3.43Å; I488-F541 VanDerWaalsContact CG1-CE2 3.43Å; I488-F541 HydrophobicContact CG1-CZ 3.63Å; I491-F541 HydrophobicContact CD1-CB 3.91Å; I491-F541 HydrophobicContact CD1-CD1 4.42Å; I491-F541 HydrophobicContact CD1-CG 4.18Å; L537-F541 WeakPolarHBondContact O-CB 3.48Å; L537-F541 PolarHBondContact O-N 3.08Å; I538-F541 PolarHBondContact O-N 2.9Å; A539-F541 VanDerWaalsContact C-N 3.34Å; F541-W543 VanDerWaalsContact C-N 3.34Å; F541-W543 PolarHBondContact O-N 3.37Å; F541-S544 PolarHBondContact O-N 3.27Å; F541-L545 HydrophobicContact CD1-CD1 4.18Å; F541-L545 HydrophobicContact CE1-CD1 3.59Å; F541-L545 HydrophobicContact CE2-CD1 4.13Å; F541-L545 HydrophobicContact CE2-CG 4.31Å; F541-L545 HydrophobicContact CZ-CD1 3.57Å; F541-L545 HydrophobicContact CZ-CG 4.24Å; F541-L545 WeakPolarHBondContact O-CG 3.3Å; F541-L545 PolarHBondContact O-N 2.69Å
542	I	88.1	Confident	87.3	Confident	93 Å²	93	63.4 Å²	63.4	48%	0.477	31%	0.313	S	S	.	.	H	α-helix	trans	-59.1	-47.3	177.4	-68.3	170.5	0	0	0	110.4	I538 S544 L545 V546	I538-I542 HydrophobicContact CG2-CD1 3.68Å; I538-I542 HydrophobicContact CG2-CG1 4.33Å; I538-I542 WeakPolarHBondContact O-CB 3.34Å; I538-I542 VanDerWaalsContact O-CG1 3.31Å; I538-I542 WeakPolarHBondContact O-CG1 3.5Å; I538-I542 PolarHBondContact O-N 3.22Å; I542-S544 VanDerWaalsContact C-N 3.31Å; I542-S544 PolarHBondContact O-N 3.3Å; I542-L545 PolarHBondContact O-N 2.93Å; I542-V546 HydrophobicContact CG2-CG2 4.37Å; I542-V546 WeakPolarHBondContact O-CG2 3.49Å; I542-V546 PolarHBondContact O-N 3.13Å
543	W	83	Confident	86.8	Confident	68 Å²	68	61 Å²	61	26%	0.258	30%	0.3	S	S	.	.	H	α-helix	trans	-60.5	-42.2	179.2	-174.3	95	0	0	0	111.8	E310 K313 A539 I540 F541 L545 V546 R547	E310-W543 HydrophobicContact CB-CH2 4.37Å; E310-W543 HydrophobicContact CB-CZ2 4.26Å; E310-W543 HydrophobicContact CG-CH2 4.31Å; K313-W543 HydrophobicContact CB-CE3 4.16Å; K313-W543 HydrophobicContact CB-CH2 4.38Å; K313-W543 HydrophobicContact CB-CZ3 4.11Å; K313-W543 HydrophobicContact CD-CE3 3.86Å; K313-W543 HydrophobicContact CD-CH2 4.05Å; K313-W543 HydrophobicContact CD-CZ3 3.33Å; K313-W543 HydrophobicContact CG-CD2 4.28Å; K313-W543 HydrophobicContact CG-CE3 3.48Å; K313-W543 VanDerWaalsContact CG-CE3 3.48Å; K313-W543 HydrophobicContact CG-CH2 4.19Å; K313-W543 HydrophobicContact CG-CZ3 3.46Å; K313-W543 VanDerWaalsContact CG-CZ3 3.46Å; A539-W543 VanDerWaalsContact O-CB 3.25Å; A539-W543 WeakPolarHBondContact O-CB 3.48Å; A539-W543 PolarHBondContact O-N 3.37Å; I540-W543 PolarHBondContact O-N 3.22Å; F541-W543 VanDerWaalsContact C-N 3.34Å; F541-W543 PolarHBondContact O-N 3.37Å; W543-L545 VanDerWaalsContact C-N 3.29Å; W543-L545 PolarHBondContact O-N 3.42Å; W543-V546 PolarHBondContact O-N 3.26Å; W543-R547 HydrophobicContact CD2-CB 4.45Å; W543-R547 HydrophobicContact CD2-CG 4.09Å; W543-R547 HydrophobicContact CE3-CB 4.26Å; W543-R547 HydrophobicContact CE3-CG 4.39Å; W543-R547 HydrophobicContact CH2-CB 4.18Å; W543-R547 HydrophobicContact CH2-CG 4.16Å; W543-R547 HydrophobicContact CZ2-CB 4.4Å; W543-R547 HydrophobicContact CZ2-CG 3.87Å; W543-R547 HydrophobicContact CZ3-CB 4.09Å; W543-R547 HydrophobicContact CZ3-CG 4.39Å; W543-R547 WeakPolarHBondContact O-CB 3.38Å; W543-R547 PolarHBondContact O-N 2.9Å
544	S	80.3	Confident	86.2	Confident	28 Å²	28	64 Å²	64	20%	0.196	33%	0.331	C	S	.	.	H	α-helix	trans	-66.4	-30.5	179.9	-172.2	0	0	0	0	113	W484 I540 F541 I542 F548	W484-S544 PolarHBondContact NE1-OG 3.05Å; I540-S544 VanDerWaalsContact O-CB 3.26Å; I540-S544 WeakPolarHBondContact O-CB 3.48Å; I540-S544 PolarHBondContact O-N 3.06Å; F541-S544 PolarHBondContact O-N 3.27Å; I542-S544 VanDerWaalsContact C-N 3.31Å; I542-S544 PolarHBondContact O-N 3.3Å; S544-F548 PolarHBondContact O-N 3.33Å
545	L	82.6	Confident	85.6	Confident	74 Å²	74	70.3 Å²	70.3	39%	0.387	37%	0.37	S	S	.	.	H	α-helix	trans	-73.4	-43.5	173.1	-70	176.6	0	0	0	111.7	W484 F541 I542 W543 R547 F548	W484-L545 HydrophobicContact CD2-CD2 4.36Å; W484-L545 HydrophobicContact CZ2-CD2 4.43Å; F541-L545 HydrophobicContact CD1-CD1 4.18Å; F541-L545 HydrophobicContact CE1-CD1 3.59Å; F541-L545 HydrophobicContact CE2-CD1 4.13Å; F541-L545 HydrophobicContact CE2-CG 4.31Å; F541-L545 HydrophobicContact CZ-CD1 3.57Å; F541-L545 HydrophobicContact CZ-CG 4.24Å; F541-L545 WeakPolarHBondContact O-CG 3.3Å; F541-L545 PolarHBondContact O-N 2.69Å; I542-L545 PolarHBondContact O-N 2.93Å; W543-L545 VanDerWaalsContact C-N 3.29Å; W543-L545 PolarHBondContact O-N 3.42Å; L545-R547 VanDerWaalsContact C-N 3.32Å; L545-R547 PolarHBondContact O-N 3.47Å; L545-F548 WeakPolarHBondContact O-CB 3.39Å; L545-F548 PolarHBondContact O-N 3.2Å
546	V	85.8	Confident	85.3	Confident	114 Å²	114	67 Å²	67	69%	0.691	35%	0.353	S	S	*	.	H	α-helix	trans	-65.6	-37	179.8	172.2	0	0	0	0	111.6	I542 W543 F548	I542-V546 HydrophobicContact CG2-CG2 4.37Å; I542-V546 WeakPolarHBondContact O-CG2 3.49Å; I542-V546 PolarHBondContact O-N 3.13Å; W543-V546 PolarHBondContact O-N 3.26Å; V546-F548 VanDerWaalsContact C-N 3.32Å
547	R	81.8	Confident	85.3	Confident	144 Å²	144	70.3 Å²	70.3	54%	0.543	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	32.3	177.4	-65.5	-70.3	-171.6	162.4	0.9	111.9	W543 L545 H549	W543-R547 HydrophobicContact CD2-CB 4.45Å; W543-R547 HydrophobicContact CD2-CG 4.09Å; W543-R547 HydrophobicContact CE3-CB 4.26Å; W543-R547 HydrophobicContact CE3-CG 4.39Å; W543-R547 HydrophobicContact CH2-CB 4.18Å; W543-R547 HydrophobicContact CH2-CG 4.16Å; W543-R547 HydrophobicContact CZ2-CB 4.4Å; W543-R547 HydrophobicContact CZ2-CG 3.87Å; W543-R547 HydrophobicContact CZ3-CB 4.09Å; W543-R547 HydrophobicContact CZ3-CG 4.39Å; W543-R547 WeakPolarHBondContact O-CB 3.38Å; W543-R547 PolarHBondContact O-N 2.9Å; L545-R547 VanDerWaalsContact C-N 3.32Å; L545-R547 PolarHBondContact O-N 3.47Å; R547-H549 PolarHBondContact O-CE1 2.98Å; R547-H549 PolarHBondContact O-N 2.85Å; R547-H549 PolarHBondContact O-ND1 3.05Å
548	F	82.1	Confident	85.4	Confident	59 Å²	59	71 Å²	71	26%	0.259	38%	0.379	S	S	.	.			trans	-70.4	127.9	170.4	176.9	-113.3	0	0	0	109.9	H479 F480 W484 S544 L545 V546 W567	H479-F548 AromaticContact NE2-CE2 3.7Å; F480-F548 HydrophobicContact CE1-CE2 4.44Å; F480-F548 HydrophobicContact CE1-CZ 4.31Å; F480-F548 HydrophobicContact CZ-CE2 4.38Å; F480-F548 HydrophobicContact CZ-CZ 4.09Å; W484-F548 HydrophobicContact CH2-CB 4.32Å; W484-F548 AromaticContact CH2-CD2 3.18Å; W484-F548 HydrophobicContact CH2-CD2 3.18Å; W484-F548 AromaticContact CH2-CE2 3.43Å; W484-F548 HydrophobicContact CH2-CE2 3.43Å; W484-F548 VanDerWaalsContact CH2-CE2 3.43Å; W484-F548 AromaticContact CH2-CG 3.76Å; W484-F548 HydrophobicContact CH2-CG 3.76Å; W484-F548 HydrophobicContact CH2-CZ 4.23Å; W484-F548 HydrophobicContact CZ2-CB 4.09Å; W484-F548 AromaticContact CZ2-CD2 3.34Å; W484-F548 HydrophobicContact CZ2-CD2 3.34Å; W484-F548 AromaticContact CZ2-CE2 4Å; W484-F548 HydrophobicContact CZ2-CE2 4Å; W484-F548 AromaticContact CZ2-CG 3.94Å; W484-F548 HydrophobicContact CZ2-CG 3.94Å; W484-F548 HydrophobicContact CZ3-CD2 4.44Å; W484-F548 HydrophobicContact CZ3-CE2 4.38Å; S544-F548 PolarHBondContact O-N 3.33Å; L545-F548 WeakPolarHBondContact O-CB 3.39Å; L545-F548 PolarHBondContact O-N 3.2Å; V546-F548 VanDerWaalsContact C-N 3.32Å; F548-W567 HydrophobicContact CD1-CZ2 4.19Å; F548-W567 AromaticContact CE1-CZ2 3.94Å; F548-W567 HydrophobicContact CE1-CZ2 3.94Å; F548-W567 HydrophobicContact CE2-CZ2 4.5Å; F548-W567 HydrophobicContact CZ-CZ2 4.09Å
549	H	80.9	Confident	85.5	Confident	123 Å²	123	68.7 Å²	68.7	57%	0.569	37%	0.368	S	S	*	.			trans	-122.4	145.2	173	-37.8	93.6	0	0	0	107.6	R547	R547-H549 PolarHBondContact O-CE1 2.98Å; R547-H549 PolarHBondContact O-N 2.85Å; R547-H549 PolarHBondContact O-ND1 3.05Å
550	R	84.5	Confident	85.7	Confident	153 Å²	153	71 Å²	71	58%	0.577	37%	0.373	S	S	*	.			trans	-56.6	129.1	175.2	-72.3	-178.4	175.3	-144.5	-5.3	109.2	D560	R550-D560 IonicContact CZ-OD1 3.08Å; R550-D560 VanDerWaalsContact CZ-OD1 3.29Å; R550-D560 IonicContact NH1-OD1 2.8Å; R550-D560 PolarHBondContact NH1-OD1 3.06Å; R550-D560 IonicContact NH2-OD1 2.69Å; R550-D560 PolarHBondContact NH2-OD1 3.4Å; R550-D560 VanDerWaalsContact NH2-OD1 3.08Å
551	P	85.1	Confident	86.2	Confident	7 Å²	7	75.6 Å²	75.6	5%	0.045	39%	0.39	C	S	.	.			trans	-65.7	143.8	177.9	26.7	-33.2	0	0	0	109.7	F480 Y558	F480-P551 HydrophobicContact CE2-CG 4.04Å; P551-Y558 HydrophobicContact CB-CD2 4.34Å; P551-Y558 HydrophobicContact CB-CE2 4.44Å; P551-Y558 HydrophobicContact CG-CD2 4.34Å; P551-Y558 WeakPolarHBondContact O-CD2 3.28Å
552	N	86.7	Confident	86.5	Confident	86 Å²	86	73.7 Å²	73.7	46%	0.46	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.4	171.8	-63.6	-31.3	0	0	0	107.9	H475 P557	H475-N552 PolarHBondContact CE1-O 3.4Å; N552-P557 WeakPolarHBondContact OD1-CA 3.45Å
553	Y	85.7	Confident	86.8	Confident	10 Å²	10	69.9 Å²	69.9	4%	0.039	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	106.3	169.5	-173.5	-105.6	0	0	0	108.9	D389 I471 Y472 H475 T555 I556	D389-Y553 PolarHBondContact OD1-OH 3.43Å; I471-Y553 HydrophobicContact CD1-CE2 4.46Å; I471-Y553 HydrophobicContact CG1-CE1 3.86Å; I471-Y553 HydrophobicContact CG1-CE2 3.77Å; I471-Y553 WeakPolarHBondContact CG1-OH 3.44Å; I471-Y553 HydrophobicContact CG2-CD1 4.3Å; I471-Y553 HydrophobicContact CG2-CE1 3.81Å; Y472-Y553 AromaticContact CD1-CD1 3.97Å; Y472-Y553 HydrophobicContact CD1-CD1 3.97Å; Y472-Y553 HydrophobicContact CD1-CG 4.11Å; Y472-Y553 AromaticContact CE1-CD1 3.62Å; Y472-Y553 HydrophobicContact CE1-CD1 3.62Å; Y472-Y553 HydrophobicContact CE1-CG 4.14Å; H475-Y553 HydrophobicContact CB-CD2 4.19Å; Y553-T555 PolarHBondContact O-N 3.35Å; Y553-I556 PolarHBondContact N-O 3.09Å; Y553-I556 PolarHBondContact O-N 3.11Å
554	G	81.1	Confident	87.3	Confident	63 Å²	63	69 Å²	69	65%	0.649	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-122.4	-167.2	0	0	0	0	0	110.9
555	T	82.1	Confident	88	Confident	141 Å²	141	70.5 Å²	70.5	87%	0.865	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	0.1	177.2	56.7	0	0	0	0	113.7	Y553 P557	Y553-T555 PolarHBondContact O-N 3.35Å; T555-P557 WeakPolarHBondContact O-CD 3.45Å
556	I	88.1	Confident	88.5	Confident	39 Å²	39	67 Å²	67	20%	0.2	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.1	-171.9	-59.7	166.4	0	0	0	109.2	Y472 Y553	Y472-I556 HydrophobicContact CE1-CB 4.47Å; Y472-I556 HydrophobicContact CE1-CD1 4.4Å; Y472-I556 HydrophobicContact CE1-CG2 4.3Å; Y472-I556 WeakPolarHBondContact OH-CD1 3.4Å; Y553-I556 PolarHBondContact N-O 3.09Å; Y553-I556 PolarHBondContact O-N 3.11Å
557	P	90.9	Very high	88.8	Confident	94 Å²	94	65.8 Å²	65.8	61%	0.61	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	148.2	177.6	31.4	-34	0	0	0	111.6	N552 T555	N552-P557 WeakPolarHBondContact OD1-CA 3.45Å; T555-P557 WeakPolarHBondContact O-CD 3.45Å
558	Y	92.6	Very high	89.4	Confident	14 Å²	14	62.6 Å²	62.6	6%	0.055	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-75.7	141.5	174.7	-83	-102.4	0	0	0	111.7	M229 Y472 H475 L476 P551	M229-Y558 HydrophobicContact SD-CD1 3.78Å; M229-Y558 HydrophobicContact SD-CE1 3.99Å; Y472-Y558 WeakPolarHBondContact CA-OH 3.36Å; Y472-Y558 WeakPolarHBondContact O-CE1 3.39Å; Y472-Y558 PolarHBondContact O-OH 3.4Å; H475-Y558 WeakPolarHBondContact CB-OH 3.3Å; H475-Y558 AromaticContact ND1-CE2 3.72Å; H475-Y558 AromaticContact ND1-CZ 3.75Å; H475-Y558 PolarHBondContact ND1-OH 3.06Å; L476-Y558 HydrophobicContact CB-CE1 3.89Å; L476-Y558 HydrophobicContact CD1-CD1 3.97Å; L476-Y558 HydrophobicContact CD1-CE1 3.93Å; L476-Y558 HydrophobicContact CG-CE1 4.37Å; P551-Y558 HydrophobicContact CB-CD2 4.34Å; P551-Y558 HydrophobicContact CB-CE2 4.44Å; P551-Y558 HydrophobicContact CG-CD2 4.34Å; P551-Y558 WeakPolarHBondContact O-CD2 3.28Å
559	P	93.6	Very high	90	Very high	24 Å²	24	60.9 Å²	60.9	16%	0.156	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-68.5	153.8	174.2	31.1	-35.7	0	0	0	111.1	M229 W561 G562 V563	M229-P559 HydrophobicContact CB-CG 4.11Å; M229-P559 HydrophobicContact SD-CG 4.34Å; P559-W561 VanDerWaalsContact C-N 3.27Å; P559-W561 HydrophobicContact CB-CG 4.47Å; P559-W561 HydrophobicContact CG-CD2 4.34Å; P559-W561 HydrophobicContact CG-CG 4.45Å; P559-W561 HydrophobicContact CG-CZ2 4.08Å; P559-W561 VanDerWaalsContact CG-NE1 3.34Å; P559-W561 PolarHBondContact O-N 3.48Å; P559-G562 WeakPolarHBondContact O-CA 3.38Å; P559-G562 PolarHBondContact O-N 2.94Å; P559-V563 PolarHBondContact O-N 3.32Å; P559-V563 VanDerWaalsContact O-N 3.13Å
560	D	93.9	Very high	90.5	Very high	101 Å²	101	55.3 Å²	55.3	54%	0.54	31%	0.306	S	S	.	.	H	α-helix	trans	-58.1	-37.3	-176	-69.2	-45.6	0	0	0	112.9	R550 G562 V563 A564	R550-D560 IonicContact CZ-OD1 3.08Å; R550-D560 VanDerWaalsContact CZ-OD1 3.29Å; R550-D560 IonicContact NH1-OD1 2.8Å; R550-D560 PolarHBondContact NH1-OD1 3.06Å; R550-D560 IonicContact NH2-OD1 2.69Å; R550-D560 PolarHBondContact NH2-OD1 3.4Å; R550-D560 VanDerWaalsContact NH2-OD1 3.08Å; D560-G562 VanDerWaalsContact C-N 3.29Å; D560-G562 PolarHBondContact O-N 2.82Å; D560-V563 PolarHBondContact O-N 3.48Å; D560-A564 WeakPolarHBondContact O-CB 3.35Å; D560-A564 PolarHBondContact O-N 3.32Å
561	W	94.4	Very high	91	Very high	112 Å²	112	52.1 Å²	52.1	42%	0.424	30%	0.3	S	S	.	.	H	α-helix	trans	-65.4	-33.1	176.3	71.4	-99.7	0	0	0	112.3	M229 N230 W473 P559 L565	M229-W561 HydrophobicContact CB-CZ2 4.39Å; M229-W561 HydrophobicContact CE-CE3 4.49Å; M229-W561 HydrophobicContact CE-CH2 3.43Å; M229-W561 VanDerWaalsContact CE-CH2 3.43Å; M229-W561 HydrophobicContact CE-CZ2 4.32Å; M229-W561 HydrophobicContact CE-CZ3 3.52Å; M229-W561 HydrophobicContact CG-CH2 3.73Å; M229-W561 HydrophobicContact CG-CZ2 3.85Å; M229-W561 HydrophobicContact SD-CH2 3.81Å; M229-W561 HydrophobicContact SD-CZ2 4.13Å; M229-W561 HydrophobicContact SD-CZ3 4.23Å; N230-W561 PolarHBondContact OD1-NE1 3.13Å; W473-W561 HydrophobicContact CH2-CH2 4.35Å; W473-W561 HydrophobicContact CH2-CZ3 4.14Å; W473-W561 HydrophobicContact CZ2-CH2 4.25Å; W473-W561 HydrophobicContact CZ2-CZ3 4.48Å; P559-W561 VanDerWaalsContact C-N 3.27Å; P559-W561 HydrophobicContact CB-CG 4.47Å; P559-W561 HydrophobicContact CG-CD2 4.34Å; P559-W561 HydrophobicContact CG-CG 4.45Å; P559-W561 HydrophobicContact CG-CZ2 4.08Å; P559-W561 VanDerWaalsContact CG-NE1 3.34Å; P559-W561 PolarHBondContact O-N 3.48Å; W561-L565 HydrophobicContact CZ3-CD2 4.2Å; W561-L565 VanDerWaalsContact O-CB 3.28Å; W561-L565 WeakPolarHBondContact O-CB 3.37Å; W561-L565 PolarHBondContact O-N 3.43Å
562	G	93.8	Very high	91.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-70	-41.9	177.3	0	0	0	0	0	111.3	P559 D560 L565 G566	P559-G562 WeakPolarHBondContact O-CA 3.38Å; P559-G562 PolarHBondContact O-N 2.94Å; D560-G562 VanDerWaalsContact C-N 3.29Å; D560-G562 PolarHBondContact O-N 2.82Å; G562-L565 PolarHBondContact O-N 2.81Å; G562-G566 PolarHBondContact O-N 2.69Å
563	V	93.1	Very high	91.9	Very high	13 Å²	13	52.5 Å²	52.5	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-45.8	173.1	178.6	0	0	0	0	110.8	F480 P559 D560 L565 G566 W567	F480-V563 HydrophobicContact CZ-CG1 4.19Å; P559-V563 PolarHBondContact O-N 3.32Å; P559-V563 VanDerWaalsContact O-N 3.13Å; D560-V563 PolarHBondContact O-N 3.48Å; V563-L565 VanDerWaalsContact C-N 3.31Å; V563-L565 PolarHBondContact O-N 2.97Å; V563-G566 PolarHBondContact O-N 3.48Å; V563-W567 VanDerWaalsContact O-CD1 3.24Å; V563-W567 PolarHBondContact O-N 2.81Å; V563-W567 VanDerWaalsContact O-N 3.1Å
564	A	94.8	Very high	92.3	Very high	51 Å²	51	54.1 Å²	54.1	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-60.2	-41.2	176.1	0	0	0	0	0	111.8	D560 G566 W567 C568	D560-A564 WeakPolarHBondContact O-CB 3.35Å; D560-A564 PolarHBondContact O-N 3.32Å; A564-G566 PolarHBondContact O-N 3.32Å; A564-W567 WeakPolarHBondContact O-CB 3.16Å; A564-W567 PolarHBondContact O-N 2.97Å; A564-C568 PolarHBondContact O-N 2.74Å; A564-C568 PolarHBondContact O-SG 3.43Å
565	L	94.5	Very high	93	Very high	58 Å²	58	54.6 Å²	54.6	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-62.8	-41.5	175.6	-176.1	63.9	0	0	0	111.8	W473 W561 G562 V563 W567 C568 M569	W473-L565 HydrophobicContact CH2-CD2 3.66Å; W473-L565 HydrophobicContact CZ3-CD2 3.53Å; W561-L565 HydrophobicContact CZ3-CD2 4.2Å; W561-L565 VanDerWaalsContact O-CB 3.28Å; W561-L565 WeakPolarHBondContact O-CB 3.37Å; W561-L565 PolarHBondContact O-N 3.43Å; G562-L565 PolarHBondContact O-N 2.81Å; V563-L565 VanDerWaalsContact C-N 3.31Å; V563-L565 PolarHBondContact O-N 2.97Å; L565-W567 VanDerWaalsContact C-N 3.32Å; L565-W567 PolarHBondContact O-N 3.21Å; L565-C568 WeakPolarHBondContact O-CB 3.46Å; L565-C568 PolarHBondContact O-N 3.22Å; L565-C568 VanDerWaalsContact O-N 3.12Å; L565-M569 HydrophobicContact CD2-CE 4.02Å; L565-M569 HydrophobicContact CG-CE 3.9Å; L565-M569 WeakPolarHBondContact O-CG 3.33Å; L565-M569 PolarHBondContact O-N 3.22Å
566	G	92.6	Very high	93.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56.1	-45	173	0	0	0	0	0	112.6	F480 G562 V563 A564 C568 M569 I570	F480-G566 VanDerWaalsContact CD1-C 3.41Å; G562-G566 PolarHBondContact O-N 2.69Å; V563-G566 PolarHBondContact O-N 3.48Å; A564-G566 PolarHBondContact O-N 3.32Å; G566-C568 PolarHBondContact O-N 3.24Å; G566-M569 PolarHBondContact O-N 3Å; G566-I570 PolarHBondContact O-N 3.16Å
567	W	92.5	Very high	94.1	Very high	89 Å²	89	50.9 Å²	50.9	34%	0.337	26%	0.261	S	S	.	.	H	α-helix	trans	-61.7	-41.6	172.8	-76.5	110.3	0	0	0	112.9	F480 W484 F548 V563 A564 L565 M569 I570 I571	F480-W567 AromaticContact CE1-CD1 3.88Å; F480-W567 AromaticContact CE1-CD2 3.94Å; F480-W567 HydrophobicContact CE1-CD2 3.94Å; F480-W567 AromaticContact CE1-CE2 3.88Å; F480-W567 AromaticContact CE1-CG 3.97Å; F480-W567 HydrophobicContact CE1-CG 3.97Å; F480-W567 AromaticContact CE1-NE1 3.81Å; W484-W567 AromaticContact CE3-CH2 3.97Å; W484-W567 HydrophobicContact CE3-CH2 3.97Å; W484-W567 AromaticContact CE3-CZ3 3.87Å; W484-W567 HydrophobicContact CE3-CZ3 3.87Å; W484-W567 AromaticContact CH2-CH2 3.3Å; W484-W567 HydrophobicContact CH2-CH2 3.3Å; W484-W567 AromaticContact CH2-CZ2 3.56Å; W484-W567 HydrophobicContact CH2-CZ2 3.56Å; W484-W567 HydrophobicContact CH2-CZ3 4.04Å; W484-W567 HydrophobicContact CZ2-CH2 4.44Å; W484-W567 HydrophobicContact CZ3-CD2 4.44Å; W484-W567 AromaticContact CZ3-CE3 3.98Å; W484-W567 HydrophobicContact CZ3-CE3 3.98Å; W484-W567 AromaticContact CZ3-CH2 3.04Å; W484-W567 HydrophobicContact CZ3-CH2 3.04Å; W484-W567 AromaticContact CZ3-CZ2 3.56Å; W484-W567 HydrophobicContact CZ3-CZ2 3.56Å; W484-W567 AromaticContact CZ3-CZ3 3.27Å; W484-W567 HydrophobicContact CZ3-CZ3 3.27Å; F548-W567 HydrophobicContact CD1-CZ2 4.19Å; F548-W567 AromaticContact CE1-CZ2 3.94Å; F548-W567 HydrophobicContact CE1-CZ2 3.94Å; F548-W567 HydrophobicContact CE2-CZ2 4.5Å; F548-W567 HydrophobicContact CZ-CZ2 4.09Å; V563-W567 VanDerWaalsContact O-CD1 3.24Å; V563-W567 PolarHBondContact O-N 2.81Å; V563-W567 VanDerWaalsContact O-N 3.1Å; A564-W567 WeakPolarHBondContact O-CB 3.16Å; A564-W567 PolarHBondContact O-N 2.97Å; L565-W567 VanDerWaalsContact C-N 3.32Å; L565-W567 PolarHBondContact O-N 3.21Å; W567-M569 VanDerWaalsContact C-N 3.33Å; W567-M569 PolarHBondContact O-N 2.8Å; W567-I570 HydrophobicContact CE3-CG2 4.01Å; W567-I570 WeakPolarHBondContact O-CG2 3.3Å; W567-I570 PolarHBondContact O-N 3.03Å; W567-I571 WeakPolarHBondContact O-CB 3.24Å; W567-I571 WeakPolarHBondContact O-CD1 3.45Å; W567-I571 WeakPolarHBondContact O-CG1 3.44Å; W567-I571 PolarHBondContact O-N 3.25Å
568	C	95.4	Very high	94.4	Very high	77 Å²	77	49.5 Å²	49.5	52%	0.52	25%	0.253	S	S	.	.	H	α-helix	trans	-61.4	-40.1	175.6	-69.3	0	0	0	0	112.3	A564 L565 G566 I571 F572	A564-C568 PolarHBondContact O-N 2.74Å; A564-C568 PolarHBondContact O-SG 3.43Å; L565-C568 WeakPolarHBondContact O-CB 3.46Å; L565-C568 PolarHBondContact O-N 3.22Å; L565-C568 VanDerWaalsContact O-N 3.12Å; G566-C568 PolarHBondContact O-N 3.24Å; C568-I571 PolarHBondContact O-N 2.99Å; C568-F572 VanDerWaalsContact O-CB 3.29Å; C568-F572 WeakPolarHBondContact O-CB 3.41Å; C568-F572 PolarHBondContact O-N 3.32Å
569	M	94.1	Very high	94.6	Very high	24 Å²	24	51.7 Å²	51.7	12%	0.118	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-46.4	178.3	-66.6	-178.9	-175.1	0	0	111.8	F127 W473 I477 L565 G566 W567 F572 C573	F127-M569 HydrophobicContact CE1-CB 4.5Å; F127-M569 HydrophobicContact CE1-CG 4.22Å; F127-M569 HydrophobicContact CE1-SD 4.21Å; F127-M569 HydrophobicContact CZ-CB 4.44Å; F127-M569 HydrophobicContact CZ-CG 4.46Å; W473-M569 HydrophobicContact CZ3-CE 4.25Å; I477-M569 HydrophobicContact CG1-CE 4.29Å; I477-M569 HydrophobicContact CG1-SD 4.05Å; L565-M569 HydrophobicContact CD2-CE 4.02Å; L565-M569 HydrophobicContact CG-CE 3.9Å; L565-M569 WeakPolarHBondContact O-CG 3.33Å; L565-M569 PolarHBondContact O-N 3.22Å; G566-M569 PolarHBondContact O-N 3Å; W567-M569 VanDerWaalsContact C-N 3.33Å; W567-M569 PolarHBondContact O-N 2.8Å; M569-F572 PolarHBondContact O-N 3.46Å; M569-C573 PolarHBondContact O-N 3.02Å; M569-C573 PolarHBondContact O-SG 2.99Å
570	I	91.9	Very high	94.7	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-69	-41.1	179.2	-176.7	58.8	0	0	0	111.8	F480 G485 G566 W567 F572 C573 I574	F480-I570 HydrophobicContact CD1-CG2 4.45Å; G485-I570 VanDerWaalsContact CA-CD1 3.42Å; G566-I570 PolarHBondContact O-N 3.16Å; W567-I570 HydrophobicContact CE3-CG2 4.01Å; W567-I570 WeakPolarHBondContact O-CG2 3.3Å; W567-I570 PolarHBondContact O-N 3.03Å; I570-F572 VanDerWaalsContact C-N 3.3Å; I570-F572 PolarHBondContact O-N 3.23Å; I570-C573 WeakPolarHBondContact O-CB 3.38Å; I570-C573 PolarHBondContact O-N 3.08Å; I570-C573 VanDerWaalsContact O-N 3.1Å; I570-I574 HydrophobicContact CD1-CG2 4.08Å; I570-I574 WeakPolarHBondContact O-CG1 3.38Å; I570-I574 PolarHBondContact O-N 3.44Å; I570-I574 VanDerWaalsContact O-N 3.09Å
571	I	94.5	Very high	94.7	Very high	87 Å²	87	47.9 Å²	47.9	45%	0.446	25%	0.245	S	C	.	.	H	α-helix	trans	-58.8	-44.2	175	-71.1	167.6	0	0	0	110.2	W567 C568 C573 I574 I575	W567-I571 WeakPolarHBondContact O-CB 3.24Å; W567-I571 WeakPolarHBondContact O-CD1 3.45Å; W567-I571 WeakPolarHBondContact O-CG1 3.44Å; W567-I571 PolarHBondContact O-N 3.25Å; C568-I571 PolarHBondContact O-N 2.99Å; I571-C573 VanDerWaalsContact C-N 3.26Å; I571-C573 PolarHBondContact O-N 3.24Å; I571-I574 WeakPolarHBondContact O-CG1 3.16Å; I571-I574 PolarHBondContact O-N 3.18Å; I571-I575 VanDerWaalsContact O-CB 3.28Å; I571-I575 WeakPolarHBondContact O-CB 3.47Å; I571-I575 PolarHBondContact O-N 2.89Å
572	F	95.6	Very high	94.8	Very high	101 Å²	101	47.2 Å²	47.2	44%	0.443	25%	0.249	S	C	.	.	H	α-helix	trans	-59.1	-35.8	176.7	173.7	-102	0	0	0	112.8	L123 F127 C568 M569 I570 W576	L123-F572 HydrophobicContact CD1-CE1 4.21Å; L123-F572 HydrophobicContact CD2-CE1 4.18Å; F127-F572 HydrophobicContact CE2-CD1 4.01Å; F127-F572 HydrophobicContact CE2-CE1 4.35Å; F127-F572 HydrophobicContact CZ-CD1 4.29Å; C568-F572 VanDerWaalsContact O-CB 3.29Å; C568-F572 WeakPolarHBondContact O-CB 3.41Å; C568-F572 PolarHBondContact O-N 3.32Å; M569-F572 PolarHBondContact O-N 3.46Å; I570-F572 VanDerWaalsContact C-N 3.3Å; I570-F572 PolarHBondContact O-N 3.23Å; F572-W576 PolarHBondContact O-NE1 2.82Å
573	C	94.6	Very high	94.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70.4	-43.8	176.3	-63.9	0	0	0	0	112.2	T120 L123 I124 F127 M569 I570 I571	T120-C573 WeakPolarHBondContact CB-O 3.48Å; T120-C573 HydrophobicContact CG2-CB 4.41Å; T120-C573 PolarHBondContact OG1-O 3.25Å; L123-C573 HydrophobicContact CB-CB 4.46Å; I124-C573 HydrophobicContact CG1-CB 3.94Å; F127-C573 VanDerWaalsContact CE2-SG 3.59Å; M569-C573 PolarHBondContact O-N 3.02Å; M569-C573 PolarHBondContact O-SG 2.99Å; I570-C573 WeakPolarHBondContact O-CB 3.38Å; I570-C573 PolarHBondContact O-N 3.08Å; I570-C573 VanDerWaalsContact O-N 3.1Å; I571-C573 VanDerWaalsContact C-N 3.26Å; I571-C573 PolarHBondContact O-N 3.24Å
574	I	94.9	Very high	94.7	Very high	43 Å²	43	52.1 Å²	52.1	22%	0.221	27%	0.271	C	S	.	.	H	α-helix	trans	-86.1	-22.4	-171.6	67.1	-177.7	0	0	0	114	T120 I488 I570 I571 W576 I577 P578	T120-I574 HydrophobicContact CG2-CG2 4.16Å; I488-I574 HydrophobicContact CD1-CD1 4.39Å; I488-I574 HydrophobicContact CD1-CG2 4.3Å; I570-I574 HydrophobicContact CD1-CG2 4.08Å; I570-I574 WeakPolarHBondContact O-CG1 3.38Å; I570-I574 PolarHBondContact O-N 3.44Å; I570-I574 VanDerWaalsContact O-N 3.09Å; I571-I574 WeakPolarHBondContact O-CG1 3.16Å; I571-I574 PolarHBondContact O-N 3.18Å; I574-W576 PolarHBondContact O-N 3.48Å; I574-W576 VanDerWaalsContact O-N 3.09Å; I574-I577 HydrophobicContact CB-CD1 4.45Å; I574-I577 WeakPolarHBondContact O-CB 3.44Å; I574-I577 PolarHBondContact O-N 2.86Å; I574-P578 WeakPolarHBondContact O-CD 3.45Å
575	I	96.1	Very high	94.6	Very high	73 Å²	73	51.8 Å²	51.8	37%	0.374	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.8	-176.4	-160.3	171.3	0	0	0	113	I571 I577 P578 I579	I571-I575 VanDerWaalsContact O-CB 3.28Å; I571-I575 WeakPolarHBondContact O-CB 3.47Å; I571-I575 PolarHBondContact O-N 2.89Å; I575-I577 PolarHBondContact O-N 3.22Å; I575-P578 WeakPolarHBondContact O-CD 3.21Å; I575-P578 VanDerWaalsContact O-CG 3.24Å; I575-P578 WeakPolarHBondContact O-CG 3.45Å; I575-I579 HydrophobicContact CB-CD1 4.43Å; I575-I579 HydrophobicContact CD1-CD1 4.28Å; I575-I579 HydrophobicContact CG1-CD1 3.85Å; I575-I579 HydrophobicContact CG1-CG1 4.26Å; I575-I579 HydrophobicContact CG2-CD1 4.06Å; I575-I579 WeakPolarHBondContact O-CB 3.43Å; I575-I579 VanDerWaalsContact O-CG1 3.26Å; I575-I579 WeakPolarHBondContact O-CG1 3.43Å; I575-I579 PolarHBondContact O-N 3.25Å; I575-I579 VanDerWaalsContact O-N 3.13Å
576	W	96.1	Very high	94.5	Very high	80 Å²	80	54.4 Å²	54.4	30%	0.303	28%	0.275	S	S	.	.	H	α-helix	trans	-65.7	-24.4	175.8	-67.5	98.2	0	0	0	113.4	G116 I119 L123 F572 I574 I579 M580	G116-W576 WeakPolarHBondContact CA-O 3.35Å; I119-W576 HydrophobicContact CB-CB 4.13Å; I119-W576 HydrophobicContact CD1-CE3 4.47Å; I119-W576 HydrophobicContact CG2-CB 3.86Å; I119-W576 HydrophobicContact CG2-CD2 4.09Å; I119-W576 HydrophobicContact CG2-CG 3.72Å; L123-W576 HydrophobicContact CD1-CG 4.23Å; F572-W576 PolarHBondContact O-NE1 2.82Å; I574-W576 PolarHBondContact O-N 3.48Å; I574-W576 VanDerWaalsContact O-N 3.09Å; W576-I579 HydrophobicContact CE3-CG2 4.3Å; W576-I579 HydrophobicContact CZ3-CG2 4.44Å; W576-M580 VanDerWaalsContact O-CB 3.27Å; W576-M580 WeakPolarHBondContact O-CB 3.49Å; W576-M580 VanDerWaalsContact O-CG 3.27Å; W576-M580 WeakPolarHBondContact O-CG 3.06Å; W576-M580 PolarHBondContact O-N 2.84Å
577	I	96	Very high	94.4	Very high	22 Å²	22	60.8 Å²	60.8	11%	0.113	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-61	174.6	-63.7	158.1	0	0	0	110.6	V117 I488 L492 I574 I575 A581	V117-I577 HydrophobicContact CG2-CD1 4.47Å; V117-I577 HydrophobicContact CG2-CG1 4.12Å; I488-I577 HydrophobicContact CG2-CD1 4.23Å; L492-I577 HydrophobicContact CD1-CD1 3.65Å; L492-I577 HydrophobicContact CD1-CG1 4.32Å; L492-I577 HydrophobicContact CD1-CG2 3.89Å; I574-I577 HydrophobicContact CB-CD1 4.45Å; I574-I577 WeakPolarHBondContact O-CB 3.44Å; I574-I577 PolarHBondContact O-N 2.86Å; I575-I577 PolarHBondContact O-N 3.22Å; I577-A581 WeakPolarHBondContact O-CB 3.05Å; I577-A581 PolarHBondContact O-N 3.31Å; I577-A581 VanDerWaalsContact O-N 3.14Å
578	P	96.8	Very high	94.3	Very high	66 Å²	66	57.2 Å²	57.2	43%	0.429	30%	0.295	S	S	.	.	H	α-helix	trans	-67.6	-36.8	177.5	25	-34	0	0	0	113.1	I574 I575 M580 A581 I582	I574-P578 WeakPolarHBondContact O-CD 3.45Å; I575-P578 WeakPolarHBondContact O-CD 3.21Å; I575-P578 VanDerWaalsContact O-CG 3.24Å; I575-P578 WeakPolarHBondContact O-CG 3.45Å; P578-M580 PolarHBondContact O-N 2.94Å; P578-A581 PolarHBondContact O-N 2.96Å; P578-I582 VanDerWaalsContact O-CG1 3.28Å; P578-I582 WeakPolarHBondContact O-CG1 3.02Å; P578-I582 PolarHBondContact O-N 2.81Å
579	I	97	Very high	93.9	Very high	60 Å²	60	62.9 Å²	62.9	31%	0.308	31%	0.31	S	S	.	.	H	α-helix	trans	-59.1	-49.9	179	-71.8	171.8	0	0	0	110.8	I575 W576 A581 I582 I583	I575-I579 HydrophobicContact CB-CD1 4.43Å; I575-I579 HydrophobicContact CD1-CD1 4.28Å; I575-I579 HydrophobicContact CG1-CD1 3.85Å; I575-I579 HydrophobicContact CG1-CG1 4.26Å; I575-I579 HydrophobicContact CG2-CD1 4.06Å; I575-I579 WeakPolarHBondContact O-CB 3.43Å; I575-I579 VanDerWaalsContact O-CG1 3.26Å; I575-I579 WeakPolarHBondContact O-CG1 3.43Å; I575-I579 PolarHBondContact O-N 3.25Å; I575-I579 VanDerWaalsContact O-N 3.13Å; W576-I579 HydrophobicContact CE3-CG2 4.3Å; W576-I579 HydrophobicContact CZ3-CG2 4.44Å; I579-A581 PolarHBondContact O-N 2.84Å; I579-I582 PolarHBondContact O-N 3.01Å; I579-I583 HydrophobicContact CG2-CD1 3.74Å; I579-I583 HydrophobicContact CG2-CG1 4.47Å; I579-I583 VanDerWaalsContact O-CG1 3.32Å; I579-I583 WeakPolarHBondContact O-CG1 3.4Å; I579-I583 PolarHBondContact O-N 3.31Å
580	M	95.6	Very high	93.6	Very high	26 Å²	26	63.6 Å²	63.6	13%	0.128	32%	0.324	C	S	.	.	H	α-helix	trans	-66.9	-38.1	179.8	-70.6	-54.8	-61.3	0	0	111.9	Q115 I119 W576 P578 I582 I583 K584	Q115-M580 HydrophobicContact CG-CE 4.41Å; I119-M580 HydrophobicContact CD1-CG 3.67Å; I119-M580 HydrophobicContact CD1-SD 4.02Å; W576-M580 VanDerWaalsContact O-CB 3.27Å; W576-M580 WeakPolarHBondContact O-CB 3.49Å; W576-M580 VanDerWaalsContact O-CG 3.27Å; W576-M580 WeakPolarHBondContact O-CG 3.06Å; W576-M580 PolarHBondContact O-N 2.84Å; P578-M580 PolarHBondContact O-N 2.94Å; M580-I582 VanDerWaalsContact C-N 3.34Å; M580-I582 PolarHBondContact O-N 3.22Å; M580-I583 PolarHBondContact O-N 3.31Å; M580-I583 HydrophobicContact SD-CD1 4.18Å; M580-K584 WeakPolarHBondContact O-CB 3.19Å; M580-K584 VanDerWaalsContact O-CG 3.27Å; M580-K584 WeakPolarHBondContact O-CG 3.39Å; M580-K584 PolarHBondContact O-N 2.03Å
581	A	95	Very high	93.5	Very high	18 Å²	18	68.7 Å²	68.7	15%	0.149	35%	0.352	C	S	.	.	H	α-helix	trans	-57.3	-47.6	174.3	0	0	0	0	0	111.4	L113 I577 P578 I579 K584 I585	L113-A581 HydrophobicContact CD1-CB 3.77Å; L113-A581 HydrophobicContact CG-CB 4.29Å; I577-A581 WeakPolarHBondContact O-CB 3.05Å; I577-A581 PolarHBondContact O-N 3.31Å; I577-A581 VanDerWaalsContact O-N 3.14Å; P578-A581 PolarHBondContact O-N 2.96Å; I579-A581 PolarHBondContact O-N 2.84Å; A581-K584 PolarHBondContact O-N 2.94Å; A581-I585 WeakPolarHBondContact O-CD1 3.33Å; A581-I585 VanDerWaalsContact O-CG1 3.23Å; A581-I585 WeakPolarHBondContact O-CG1 3.3Å; A581-I585 PolarHBondContact O-N 3.23Å
582	I	95.2	Very high	93.2	Very high	98 Å²	98	70.6 Å²	70.6	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-62.5	-47.9	177.6	-68.2	165.7	0	0	0	110.9	P578 I579 M580 K584 I585 I586	P578-I582 VanDerWaalsContact O-CG1 3.28Å; P578-I582 WeakPolarHBondContact O-CG1 3.02Å; P578-I582 PolarHBondContact O-N 2.81Å; I579-I582 PolarHBondContact O-N 3.01Å; M580-I582 VanDerWaalsContact C-N 3.34Å; M580-I582 PolarHBondContact O-N 3.22Å; I582-K584 VanDerWaalsContact C-N 3.31Å; I582-K584 PolarHBondContact O-N 2.88Å; I582-I585 PolarHBondContact O-N 2.8Å; I582-I586 HydrophobicContact CG2-CD1 3.64Å; I582-I586 HydrophobicContact CG2-CG1 4.33Å; I582-I586 WeakPolarHBondContact O-CG1 3.2Å; I582-I586 PolarHBondContact O-N 3.45Å
583	I	94.3	Very high	92.8	Very high	64 Å²	64	72.5 Å²	72.5	33%	0.328	37%	0.37	S	S	.	.	H	α-helix	trans	-57.1	-45.8	179	-70.9	170	0	0	0	110.7	I579 M580 I586 Q587	I579-I583 HydrophobicContact CG2-CD1 3.74Å; I579-I583 HydrophobicContact CG2-CG1 4.47Å; I579-I583 VanDerWaalsContact O-CG1 3.32Å; I579-I583 WeakPolarHBondContact O-CG1 3.4Å; I579-I583 PolarHBondContact O-N 3.31Å; M580-I583 PolarHBondContact O-N 3.31Å; M580-I583 HydrophobicContact SD-CD1 4.18Å; I583-I586 PolarHBondContact O-N 3.37Å; I583-Q587 WeakPolarHBondContact O-CB 3.22Å; I583-Q587 VanDerWaalsContact O-CG 3.3Å; I583-Q587 WeakPolarHBondContact O-CG 3.46Å; I583-Q587 PolarHBondContact O-N 3.3Å
584	K	92.3	Very high	92.5	Very high	53 Å²	53	78.2 Å²	78.2	23%	0.23	40%	0.396	C	S	.	.	H	α-helix	trans	-65.8	-40.6	179.8	-67.6	-61.6	-177.5	-173	0	112.4	M580 A581 I582 Q587 A588 C599	M580-K584 WeakPolarHBondContact O-CB 3.19Å; M580-K584 VanDerWaalsContact O-CG 3.27Å; M580-K584 WeakPolarHBondContact O-CG 3.39Å; M580-K584 PolarHBondContact O-N 2.03Å; A581-K584 PolarHBondContact O-N 2.94Å; I582-K584 VanDerWaalsContact C-N 3.31Å; I582-K584 PolarHBondContact O-N 2.88Å; K584-Q587 PolarHBondContact O-N 3.05Å; K584-A588 PolarHBondContact O-N 2.94Å; K584-C599 PolarHBondContact O-SG 3.14Å
585	I	92.5	Very high	92.2	Very high	43 Å²	43	79.7 Å²	79.7	22%	0.221	40%	0.399	C	S	.	.	H	α-helix	trans	-63.8	-41.2	176.1	-68.4	165	0	0	0	110.8	L113 A581 I582 A588 R595 L596	L113-I585 HydrophobicContact CD1-CD1 3.86Å; L113-I585 HydrophobicContact CD1-CG1 4.04Å; A581-I585 WeakPolarHBondContact O-CD1 3.33Å; A581-I585 VanDerWaalsContact O-CG1 3.23Å; A581-I585 WeakPolarHBondContact O-CG1 3.3Å; A581-I585 PolarHBondContact O-N 3.23Å; I582-I585 PolarHBondContact O-N 2.8Å; I585-A588 PolarHBondContact O-N 2.78Å; I585-R595 HydrophobicContact CG2-CB 4.2Å; I585-R595 WeakPolarHBondContact O-CD 3.24Å; I585-R595 PolarHBondContact O-NH1 3.22Å; I585-L596 HydrophobicContact CD1-CD1 4.03Å
586	I	92.4	Very high	91.9	Very high	113 Å²	113	79.7 Å²	79.7	58%	0.579	40%	0.399	S	S	*	.	H	α-helix	trans	-65.8	-40	178.9	-68.6	170.3	0	0	0	111.3	I582 I583 R595	I582-I586 HydrophobicContact CG2-CD1 3.64Å; I582-I586 HydrophobicContact CG2-CG1 4.33Å; I582-I586 WeakPolarHBondContact O-CG1 3.2Å; I582-I586 PolarHBondContact O-N 3.45Å; I583-I586 PolarHBondContact O-N 3.37Å; I586-R595 PolarHBondContact O-NH1 3.45Å
587	Q	89.9	Confident	91.6	Very high	134 Å²	134	78.9 Å²	78.9	63%	0.626	40%	0.4	S	S	*	.	H	α-helix	trans	-73.7	-23.6	179.7	-71.7	175.9	-10.5	0	0	113.7	I583 K584	I583-Q587 WeakPolarHBondContact O-CB 3.22Å; I583-Q587 VanDerWaalsContact O-CG 3.3Å; I583-Q587 WeakPolarHBondContact O-CG 3.46Å; I583-Q587 PolarHBondContact O-N 3.3Å; K584-Q587 PolarHBondContact O-N 3.05Å
588	A	89.8	Confident	91.2	Very high	15 Å²	15	80.3 Å²	80.3	12%	0.124	41%	0.412	C	S	.	.	S	Bend	trans	-67.7	144	177.5	0	0	0	0	0	111.8	K584 I585 R595 S598	K584-A588 PolarHBondContact O-N 2.94Å; I585-A588 PolarHBondContact O-N 2.78Å; A588-R595 HydrophobicContact CB-CB 3.79Å; A588-R595 HydrophobicContact CB-CG 3.82Å; A588-R595 WeakPolarHBondContact O-CG 3.06Å; A588-R595 VanDerWaalsContact O-CZ 3.29Å; A588-R595 PolarHBondContact O-NE 2.89Å; A588-R595 PolarHBondContact O-NH1 3.19Å; A588-S598 WeakPolarHBondContact CB-OG 3.3Å
589	K	86.6	Confident	90.9	Very high	195 Å²	195	77.5 Å²	77.5	85%	0.848	39%	0.394	S	S	*	.			trans	-87.1	149.9	177.4	-63.1	-176.8	-179.7	-179.8	0	110.6
590	G	89.5	Confident	90.6	Very high	40 Å²	40	76.5 Å²	76.5	41%	0.412	39%	0.392	S	S	.	.	S	Bend	trans	107.2	-168.4	177.7	0	0	0	0	0	113.8	R595	G590-R595 PolarHBondContact O-NE 3.09Å
591	N	89.6	Confident	90.4	Very high	112 Å²	112	83.2 Å²	83.2	60%	0.599	42%	0.416	S	S	*	.	S	Bend	trans	-76.1	162.1	175.1	-165.1	4.2	0	0	0	111.2	F593 Q594 R595	N591-F593 VanDerWaalsContact C-N 3.25Å; N591-F593 PolarHBondContact O-N 3.41Å; N591-F593 VanDerWaalsContact O-N 3.12Å; N591-Q594 CarbonylContact O-C 3.53Å; N591-Q594 WeakPolarHBondContact O-CA 3.38Å; N591-Q594 WeakPolarHBondContact O-CB 3.46Å; N591-Q594 PolarHBondContact O-N 2.86Å; N591-R595 WeakPolarHBondContact O-CG 3.41Å; N591-R595 PolarHBondContact O-N 2.66Å
592	I	87	Confident	90.3	Very high	126 Å²	126	83.7 Å²	83.7	65%	0.646	42%	0.418	S	S	*	.	H	α-helix	trans	-49.5	-44.4	-175.7	-63.7	170.3	0	0	0	112.3	R595 L596	I592-R595 WeakPolarHBondContact O-CB 3.35Å; I592-R595 PolarHBondContact O-N 3.21Å; I592-L596 PolarHBondContact O-N 2.97Å
593	F	86.8	Confident	90	Very high	142 Å²	142	80.2 Å²	80.2	62%	0.623	40%	0.403	S	S	*	.	H	α-helix	trans	-66.8	-41.1	178.2	-171.1	-108.9	0	0	0	112.9	N591 R595 L596 I597	N591-F593 VanDerWaalsContact C-N 3.25Å; N591-F593 PolarHBondContact O-N 3.41Å; N591-F593 VanDerWaalsContact O-N 3.12Å; F593-R595 VanDerWaalsContact C-N 3.35Å; F593-L596 PolarHBondContact O-N 3.5Å; F593-I597 HydrophobicContact CD1-CD1 3.65Å; F593-I597 HydrophobicContact CE1-CD1 3.24Å; F593-I597 HydrophobicContact CE1-CG1 4.35Å; F593-I597 HydrophobicContact CE2-CD1 4.35Å; F593-I597 HydrophobicContact CG-CD1 4.37Å; F593-I597 HydrophobicContact CZ-CD1 3.64Å; F593-I597 HydrophobicContact CZ-CG1 4.44Å; F593-I597 WeakPolarHBondContact O-CG1 3.49Å; F593-I597 PolarHBondContact O-N 3.09Å
594	Q	88.4	Confident	89.6	Confident	119 Å²	119	81.3 Å²	81.3	56%	0.556	42%	0.417	S	S	*	.	H	α-helix	trans	-66.2	-39.2	175.7	-68.2	173.3	-23.4	0	0	111.4	N591 I597 S598	N591-Q594 CarbonylContact O-C 3.53Å; N591-Q594 WeakPolarHBondContact O-CA 3.38Å; N591-Q594 WeakPolarHBondContact O-CB 3.46Å; N591-Q594 PolarHBondContact O-N 2.86Å; Q594-I597 PolarHBondContact O-N 2.68Å; Q594-S598 WeakPolarHBondContact O-CB 3.33Å; Q594-S598 PolarHBondContact O-N 2.76Å; Q594-S598 PolarHBondContact O-OG 2.93Å
595	R	89.7	Confident	89.2	Confident	75 Å²	75	80.2 Å²	80.2	28%	0.283	41%	0.413	S	S	.	.	H	α-helix	trans	-59.7	-50.9	174.9	-68.3	171	-180	-133.6	6.2	110.5	I585 I586 A588 G590 N591 I592 F593 I597 S598 C599	I585-R595 HydrophobicContact CG2-CB 4.2Å; I585-R595 WeakPolarHBondContact O-CD 3.24Å; I585-R595 PolarHBondContact O-NH1 3.22Å; I586-R595 PolarHBondContact O-NH1 3.45Å; A588-R595 HydrophobicContact CB-CB 3.79Å; A588-R595 HydrophobicContact CB-CG 3.82Å; A588-R595 WeakPolarHBondContact O-CG 3.06Å; A588-R595 VanDerWaalsContact O-CZ 3.29Å; A588-R595 PolarHBondContact O-NE 2.89Å; A588-R595 PolarHBondContact O-NH1 3.19Å; G590-R595 PolarHBondContact O-NE 3.09Å; N591-R595 WeakPolarHBondContact O-CG 3.41Å; N591-R595 PolarHBondContact O-N 2.66Å; I592-R595 WeakPolarHBondContact O-CB 3.35Å; I592-R595 PolarHBondContact O-N 3.21Å; F593-R595 VanDerWaalsContact C-N 3.35Å; R595-I597 PolarHBondContact O-N 3.36Å; R595-S598 PolarHBondContact O-N 3.28Å; R595-S598 VanDerWaalsContact O-N 3.15Å; R595-S598 PolarHBondContact O-OG 2.65Å; R595-C599 PolarHBondContact O-N 2.83Å; R595-C599 PolarHBondContact O-SG 3.2Å
596	L	89.3	Confident	89.2	Confident	72 Å²	72	78.3 Å²	78.3	38%	0.377	40%	0.403	S	S	.	.	H	α-helix	trans	-58.2	-49	178.2	-174.1	66.9	0	0	0	111.7	L113 I585 I592 F593 S598 C599 C600	L113-L596 HydrophobicContact CD1-CD1 4.3Å; L113-L596 HydrophobicContact CD2-CD1 4.25Å; I585-L596 HydrophobicContact CD1-CD1 4.03Å; I592-L596 PolarHBondContact O-N 2.97Å; F593-L596 PolarHBondContact O-N 3.5Å; L596-S598 VanDerWaalsContact C-N 3.29Å; L596-S598 PolarHBondContact O-N 2.95Å; L596-C599 PolarHBondContact O-N 3.1Å; L596-C600 PolarHBondContact O-N 2.86Å; L596-C600 PolarHBondContact O-SG 2.97Å; L596-C600 VanDerWaalsContact O-SG 3.37Å
597	I	90	Very high	89.2	Confident	63 Å²	63	73 Å²	73	32%	0.323	38%	0.377	S	S	.	.	H	α-helix	trans	-59.6	-41.5	177	-70.8	173.1	0	0	0	111.3	F593 Q594 R595 C599 C600 R601	F593-I597 HydrophobicContact CD1-CD1 3.65Å; F593-I597 HydrophobicContact CE1-CD1 3.24Å; F593-I597 HydrophobicContact CE1-CG1 4.35Å; F593-I597 HydrophobicContact CE2-CD1 4.35Å; F593-I597 HydrophobicContact CG-CD1 4.37Å; F593-I597 HydrophobicContact CZ-CD1 3.64Å; F593-I597 HydrophobicContact CZ-CG1 4.44Å; F593-I597 WeakPolarHBondContact O-CG1 3.49Å; F593-I597 PolarHBondContact O-N 3.09Å; Q594-I597 PolarHBondContact O-N 2.68Å; R595-I597 PolarHBondContact O-N 3.36Å; I597-C599 VanDerWaalsContact C-N 3.32Å; I597-C599 PolarHBondContact O-N 2.85Å; I597-C600 PolarHBondContact O-N 2.91Å; I597-R601 WeakPolarHBondContact O-CG 3.24Å; I597-R601 PolarHBondContact O-N 3.12Å
598	S	88.1	Confident	89.3	Confident	53 Å²	53	66.7 Å²	66.7	37%	0.371	35%	0.348	S	S	.	.	H	α-helix	trans	-64	-37.2	178.9	76.8	0	0	0	0	112.3	A588 Q594 R595 L596 C600 R601	A588-S598 WeakPolarHBondContact CB-OG 3.3Å; Q594-S598 WeakPolarHBondContact O-CB 3.33Å; Q594-S598 PolarHBondContact O-N 2.76Å; Q594-S598 PolarHBondContact O-OG 2.93Å; R595-S598 PolarHBondContact O-N 3.28Å; R595-S598 VanDerWaalsContact O-N 3.15Å; R595-S598 PolarHBondContact O-OG 2.65Å; L596-S598 VanDerWaalsContact C-N 3.29Å; L596-S598 PolarHBondContact O-N 2.95Å; S598-C600 VanDerWaalsContact C-N 3.32Å; S598-R601 PolarHBondContact O-N 2.68Å
599	C	89.4	Confident	89.2	Confident	7 Å²	7	70.3 Å²	70.3	5%	0.047	36%	0.359	C	S	.	.	H	α-helix	trans	-74.9	-21.4	176.7	-61.4	0	0	0	0	113.2	P112 L113 K584 R595 L596 I597 R601	P112-C599 WeakPolarHBondContact CD-O 3.48Å; L113-C599 HydrophobicContact CB-CB 4.04Å; L113-C599 WeakPolarHBondContact CB-O 3.28Å; L113-C599 HydrophobicContact CD1-CB 4.11Å; L113-C599 PolarHBondContact N-O 3.29Å; K584-C599 PolarHBondContact O-SG 3.14Å; R595-C599 PolarHBondContact O-N 2.83Å; R595-C599 PolarHBondContact O-SG 3.2Å; L596-C599 PolarHBondContact O-N 3.1Å; I597-C599 VanDerWaalsContact C-N 3.32Å; I597-C599 PolarHBondContact O-N 2.85Å; C599-R601 VanDerWaalsContact C-N 3.31Å
600	C	91.7	Very high	89.3	Confident	38 Å²	38	62.7 Å²	62.7	26%	0.257	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.5	172.1	-67.6	0	0	0	0	113.5	L111 I500 L596 I597 S598	L111-C600 HydrophobicContact CD1-CB 4.38Å; I500-C600 HydrophobicContact CG2-CB 4.05Å; L596-C600 PolarHBondContact O-N 2.86Å; L596-C600 PolarHBondContact O-SG 2.97Å; L596-C600 VanDerWaalsContact O-SG 3.37Å; I597-C600 PolarHBondContact O-N 2.91Å; S598-C600 VanDerWaalsContact C-N 3.32Å
601	R	91.1	Very high	89.1	Confident	167 Å²	167	67.1 Å²	67.1	63%	0.63	34%	0.337	S	S	*	.	S	Bend	trans	-95.6	151.8	174.8	-71.4	177	-178.1	-171.2	0.6	110.3	P112 I597 S598 C599	P112-R601 WeakPolarHBondContact CD-O 3.2Å; I597-R601 WeakPolarHBondContact O-CG 3.24Å; I597-R601 PolarHBondContact O-N 3.12Å; S598-R601 PolarHBondContact O-N 2.68Å; C599-R601 VanDerWaalsContact C-N 3.31Å
602	P	92.1	Very high	89	Confident	29 Å²	29	68.2 Å²	68.2	19%	0.188	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-54.8	143.4	172.6	-23.2	33.9	0	0	0	111.2	I110 Y501 W606	I110-P602 WeakPolarHBondContact O-CA 3.39Å; Y501-P602 HydrophobicContact CD2-CG 3.69Å; Y501-P602 HydrophobicContact CE2-CB 4.39Å; Y501-P602 HydrophobicContact CE2-CG 3.49Å; Y501-P602 VanDerWaalsContact CE2-CG 3.49Å; P602-W606 HydrophobicContact CB-CB 3.77Å; P602-W606 HydrophobicContact CB-CG 3.84Å
603	A	89.4	Confident	89.1	Confident	24 Å²	24	63.9 Å²	63.9	20%	0.198	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-57.7	153.9	172.4	0	0	0	0	0	110.6	R109 P112 N605 W606	R109-A603 HydrophobicContact CB-CB 4.15Å; R109-A603 HydrophobicContact CG-CB 4.5Å; R109-A603 WeakPolarHBondContact O-CB 3.23Å; R109-A603 PolarHBondContact O-N 2.86Å; P112-A603 HydrophobicContact CG-CB 4.15Å; A603-N605 WeakPolarHBondContact CB-OD1 3.31Å; A603-N605 PolarHBondContact O-N 3.23Å; A603-W606 VanDerWaalsContact O-CB 3.28Å; A603-W606 WeakPolarHBondContact O-CB 3.4Å; A603-W606 PolarHBondContact O-N 3.44Å
604	S	85.8	Confident	89.2	Confident	87 Å²	87	58 Å²	58	61%	0.608	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.6	179.7	57.5	0	0	0	0	113.7	M621	S604-M621 CarbonylContact O-C 3.46Å; S604-M621 WeakPolarHBondContact O-CA 3.05Å; S604-M621 VanDerWaalsContact O-CB 3.23Å; S604-M621 WeakPolarHBondContact O-CB 3.15Å; S604-M621 VanDerWaalsContact O-O 3.11Å
605	N	85.1	Confident	89	Confident	31 Å²	31	54.5 Å²	54.5	17%	0.166	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	15.8	176.4	67.5	-14.4	0	0	0	113.7	R109 A603 M621 D623	R109-N605 PolarHBondContact NH1-ND2 2.95Å; A603-N605 WeakPolarHBondContact CB-OD1 3.31Å; A603-N605 PolarHBondContact O-N 3.23Å; N605-M621 WeakPolarHBondContact CA-O 3.46Å; N605-D623 HydrophobicContact CB-CB 3.93Å; N605-D623 PolarHBondContact ND2-OD2 3.36Å
606	W	92.4	Very high	88.8	Confident	2 Å²	2	58 Å²	58	1%	0.008	30%	0.304	C	S	.	.			trans	-71.4	149.5	173.9	177.2	-108.9	0	0	0	112	L96 F99 A100 V107 R109 I110 Y501 P602 A603 R614 Y618 M621	L96-W606 HydrophobicContact CD1-CH2 4.09Å; F99-W606 HydrophobicContact CD1-CH2 4.45Å; F99-W606 HydrophobicContact CD1-CZ2 4.02Å; F99-W606 AromaticContact CE1-CZ2 3.95Å; F99-W606 HydrophobicContact CE1-CZ2 3.95Å; A100-W606 HydrophobicContact CB-CH2 3.8Å; A100-W606 HydrophobicContact CB-CZ3 3.84Å; V107-W606 HydrophobicContact CG2-CH2 4.13Å; V107-W606 HydrophobicContact CG2-CZ3 4.24Å; V107-W606 WeakPolarHBondContact O-CZ3 3.37Å; R109-W606 HydrophobicContact CB-CE3 3.84Å; R109-W606 HydrophobicContact CB-CZ3 4.49Å; I110-W606 HydrophobicContact CB-CD2 3.86Å; I110-W606 HydrophobicContact CB-CE3 3.9Å; I110-W606 HydrophobicContact CB-CH2 3.6Å; I110-W606 HydrophobicContact CB-CZ2 3.56Å; I110-W606 HydrophobicContact CB-CZ3 3.77Å; I110-W606 HydrophobicContact CD1-CH2 4.03Å; I110-W606 HydrophobicContact CD1-CZ2 3.49Å; I110-W606 VanDerWaalsContact CD1-CZ2 3.49Å; I110-W606 HydrophobicContact CG1-CD2 4.21Å; I110-W606 HydrophobicContact CG1-CH2 4.05Å; I110-W606 HydrophobicContact CG1-CZ2 3.5Å; I110-W606 VanDerWaalsContact CG1-CZ2 3.5Å; I110-W606 HydrophobicContact CG2-CH2 4.5Å; Y501-W606 AromaticContact CE2-NE1 3.65Å; Y501-W606 AromaticContact CZ-NE1 3.64Å; Y501-W606 PolarHBondContact OH-NE1 3.2Å; P602-W606 HydrophobicContact CB-CB 3.77Å; P602-W606 HydrophobicContact CB-CG 3.84Å; A603-W606 VanDerWaalsContact O-CB 3.28Å; A603-W606 WeakPolarHBondContact O-CB 3.4Å; A603-W606 PolarHBondContact O-N 3.44Å; W606-R614 PolarHBondContact O-NH1 2.65Å; W606-Y618 AromaticContact CD1-CE1 3.97Å; W606-M621 WeakPolarHBondContact O-CB 3.43Å
607	G	92.1	Very high	88.8	Confident	3 Å²	3	58.6 Å²	58.6	3%	0.031	30%	0.302	C	S	.	.	S	Bend	trans	132.5	-173.5	178.5	0	0	0	0	0	111.6	Y609	G607-Y609 PolarHBondContact O-N 3.25Å
608	P	92.6	Very high	88.7	Confident	1 Å²	1	56 Å²	56	1%	0.006	29%	0.288	C	S	.	.			trans	-55.7	136.5	172.3	-26	36.6	0	0	0	111.5	F99 F339 M512 L610 H613 R614	F99-P608 HydrophobicContact CD2-CG 4.34Å; F99-P608 HydrophobicContact CE1-CG 4.36Å; F99-P608 HydrophobicContact CE2-CG 3.71Å; F99-P608 HydrophobicContact CZ-CG 3.73Å; F99-P608 WeakPolarHBondContact O-CA 3.16Å; F339-P608 HydrophobicContact CD2-CB 4.42Å; F339-P608 HydrophobicContact CE2-CB 3.77Å; F339-P608 HydrophobicContact CE2-CG 3.78Å; F339-P608 HydrophobicContact CZ-CB 4.29Å; F339-P608 HydrophobicContact CZ-CG 3.94Å; M512-P608 HydrophobicContact CE-CG 4.23Å; P608-L610 PolarHBondContact O-N 3.38Å; P608-H613 HydrophobicContact CB-CB 3.69Å; P608-H613 HydrophobicContact CG-CB 4.36Å; P608-R614 HydrophobicContact CB-CG 4.34Å; P608-R614 PolarHBondContact O-NE 3.29Å; P608-R614 VanDerWaalsContact O-NE 3.1Å; P608-R614 PolarHBondContact O-NH2 3.05Å
609	Y	87.8	Confident	88.3	Confident	90 Å²	90	59.5 Å²	59.5	35%	0.353	30%	0.296	S	S	.	.	S	Bend	trans	-59.3	-49.3	-176.9	-175.7	-95.8	0	0	0	112.2	N33 A100 L102 G607	N33-Y609 WeakPolarHBondContact ND2-CD1 3.03Å; N33-Y609 WeakPolarHBondContact ND2-CE1 3.28Å; A100-Y609 WeakPolarHBondContact O-CB 3.23Å; L102-Y609 HydrophobicContact CD2-CD2 4.24Å; G607-Y609 PolarHBondContact O-N 3.25Å
610	L	87.1	Confident	87.6	Confident	35 Å²	35	63 Å²	63	18%	0.183	33%	0.333	C	S	.	.	S	Bend	trans	-81.2	133	-179.8	-59	173.5	0	0	0	111	E32 N33 P608 Q612 H613	E32-L610 HydrophobicContact CB-CD1 4.1Å; E32-L610 WeakPolarHBondContact O-CD1 3.29Å; N33-L610 HydrophobicContact CB-CD1 4.43Å; N33-L610 HydrophobicContact CB-CD2 4.43Å; P608-L610 PolarHBondContact O-N 3.38Å; L610-Q612 VanDerWaalsContact C-N 3.27Å; L610-Q612 HydrophobicContact CB-CG 4.01Å; L610-Q612 PolarHBondContact O-N 2.66Å; L610-H613 PolarHBondContact O-N 3.2Å
611	E	85.9	Confident	86.9	Confident	133 Å²	133	64.4 Å²	64.4	62%	0.621	34%	0.337	S	S	*	.	H	α-helix	trans	-57.6	-38.6	-177.5	-66.6	-172.7	165.7	0	0	113.2	H613 R614	E611-H613 PolarHBondContact O-N 2.63Å; E611-R614 WeakPolarHBondContact O-CB 3.18Å; E611-R614 PolarHBondContact O-N 3.11Å
612	Q	86.8	Confident	85.7	Confident	136 Å²	136	59.4 Å²	59.4	64%	0.636	33%	0.325	S	S	*	.	H	α-helix	trans	-56.9	-21.5	177	65	179.5	14.9	0	0	114.1	L610	L610-Q612 VanDerWaalsContact C-N 3.27Å; L610-Q612 HydrophobicContact CB-CG 4.01Å; L610-Q612 PolarHBondContact O-N 2.66Å
613	H	90.1	Very high	84	Confident	34 Å²	34	60.2 Å²	60.2	16%	0.157	33%	0.328	C	S	.	.	H	α-helix	trans	-98.9	-9.5	-179.2	-61.5	-38	0	0	0	113.6	F339 M512 P608 L610 E611 G615	F339-H613 VanDerWaalsContact CB-CD2 3.43Å; F339-H613 WeakPolarHBondContact CB-CD2 3.03Å; F339-H613 WeakPolarHBondContact CB-NE2 3.41Å; F339-H613 HydrophobicContact CD1-CB 3.86Å; F339-H613 AromaticContact CD1-CG 3.61Å; F339-H613 AromaticContact CD1-ND1 3.7Å; F339-H613 HydrophobicContact CD2-CB 4Å; F339-H613 HydrophobicContact CE1-CB 3.89Å; F339-H613 HydrophobicContact CE2-CB 4.03Å; F339-H613 HydrophobicContact CG-CB 3.91Å; F339-H613 AromaticContact CG-CD2 3.6Å; F339-H613 AromaticContact CG-CG 3.54Å; F339-H613 AromaticContact CG-ND1 3.96Å; F339-H613 HydrophobicContact CZ-CB 3.98Å; M512-H613 VanDerWaalsContact CE-O 3.26Å; M512-H613 WeakPolarHBondContact CE-O 3.38Å; P608-H613 HydrophobicContact CB-CB 3.69Å; P608-H613 HydrophobicContact CG-CB 4.36Å; L610-H613 PolarHBondContact O-N 3.2Å; E611-H613 PolarHBondContact O-N 2.63Å; H613-G615 VanDerWaalsContact C-N 3.33Å; H613-G615 PolarHBondContact O-N 2.99Å
614	R	88.1	Confident	82	Confident	19 Å²	19	63.4 Å²	63.4	7%	0.072	35%	0.346	C	S	.	.	H	α-helix	trans	-68	-31.7	-177.3	-71.5	-179.1	172.5	-98.8	1.3	113.1	W606 P608 E611 Y618 M621	W606-R614 PolarHBondContact O-NH1 2.65Å; P608-R614 HydrophobicContact CB-CG 4.34Å; P608-R614 PolarHBondContact O-NE 3.29Å; P608-R614 VanDerWaalsContact O-NE 3.1Å; P608-R614 PolarHBondContact O-NH2 3.05Å; E611-R614 WeakPolarHBondContact O-CB 3.18Å; E611-R614 PolarHBondContact O-N 3.11Å; R614-Y618 WeakPolarHBondContact O-CB 3.28Å; R614-Y618 PolarHBondContact O-N 3.49Å; R614-M621 PolarHBondContact NH1-O 3.04Å
615	G	85.4	Confident	80.2	Confident	45 Å²	45	66.6 Å²	66.6	46%	0.464	35%	0.349	S	S	.	.	H	α-helix	trans	54.6	-164.6	-175	0	0	0	0	0	112.5	H613 R617 K619	H613-G615 VanDerWaalsContact C-N 3.33Å; H613-G615 PolarHBondContact O-N 2.99Å; G615-R617 VanDerWaalsContact C-N 3.27Å; G615-R617 PolarHBondContact O-N 3.2Å; G615-K619 WeakPolarHBondContact O-CB 3.43Å; G615-K619 PolarHBondContact O-N 2.03Å
616	E	85.1	Confident	78.2	Confident	148 Å²	148	70.2 Å²	70.2	69%	0.692	37%	0.373	S	S	*	.	H	α-helix	trans	-67.4	-28.2	178.4	-69.1	-59.2	140	0	0	112.7	Y618 K619	E616-Y618 PolarHBondContact O-N 2.89Å; E616-K619 IonicContact OE1-NZ 3.29Å; E616-K619 PolarHBondContact OE1-NZ 3.01Å; E616-K619 WeakPolarHBondContact OE2-CD 3.32Å; E616-K619 IonicContact OE2-NZ 3.91Å; E616-K619 PolarHBondContact OE2-NZ 2.88Å
617	R	88.1	Confident	75.5	Confident	85 Å²	85	79.1 Å²	79.1	32%	0.321	41%	0.414	S	S	.	.	H	α-helix	trans	-66.5	-35	-176.6	-169.3	174.5	-176.5	-145.8	-0.1	113.9	R505 E508 D509 G615	R505-R617 PolarHBondContact O-NH2 3.3Å; E508-R617 VanDerWaalsContact CB-NH1 3.3Å; E508-R617 IonicContact OE2-CZ 2.67Å; E508-R617 IonicContact OE2-NE 2.73Å; E508-R617 PolarHBondContact OE2-NE 3.12Å; E508-R617 IonicContact OE2-NH1 3.46Å; E508-R617 IonicContact OE2-NH2 2.84Å; E508-R617 PolarHBondContact OE2-NH2 3.08Å; D509-R617 IonicContact OD1-CZ 3.73Å; D509-R617 IonicContact OD1-NH1 3.16Å; D509-R617 PolarHBondContact OD1-NH1 2.93Å; D509-R617 IonicContact OD1-NH2 2.68Å; G615-R617 VanDerWaalsContact C-N 3.27Å; G615-R617 PolarHBondContact O-N 3.2Å
618	Y	88.8	Confident	72.6	Confident	8 Å²	8	82.6 Å²	82.6	3%	0.031	44%	0.443	C	S	.	.	H	α-helix	trans	-117.2	11.9	-177.2	-64.7	-76.9	0	0	0	113.9	F99 Y501 D509 M512 W606 R614 E616 G620 M621	F99-Y618 HydrophobicContact CE2-CE2 4.46Å; F99-Y618 HydrophobicContact CZ-CD2 4.38Å; F99-Y618 AromaticContact CZ-CE2 3.66Å; F99-Y618 HydrophobicContact CZ-CE2 3.66Å; F99-Y618 AromaticContact CZ-CZ 3.96Å; Y501-Y618 PolarHBondContact OH-OH 2.81Å; D509-Y618 PolarHBondContact OD1-OH 3.37Å; M512-Y618 HydrophobicContact CE-CD2 4.1Å; M512-Y618 HydrophobicContact CE-CE2 4.31Å; M512-Y618 HydrophobicContact SD-CD2 4.24Å; M512-Y618 HydrophobicContact SD-CE2 3.89Å; W606-Y618 AromaticContact CD1-CE1 3.97Å; R614-Y618 WeakPolarHBondContact O-CB 3.28Å; R614-Y618 PolarHBondContact O-N 3.49Å; E616-Y618 PolarHBondContact O-N 2.89Å; Y618-G620 VanDerWaalsContact C-N 3.28Å; Y618-G620 PolarHBondContact O-N 3.35Å; Y618-M621 HydrophobicContact CD1-SD 3.85Å; Y618-M621 HydrophobicContact CE1-SD 4.26Å; Y618-M621 PolarHBondContact O-N 3.49Å; Y618-M621 VanDerWaalsContact O-N 3.13Å
619	K	80.6	Confident	70	Confident	127 Å²	127	87.2 Å²	87.2	55%	0.552	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-36.6	-176.9	-164.4	173.8	-174.8	171.3	0	113.6	G615 E616 V622	G615-K619 WeakPolarHBondContact O-CB 3.43Å; G615-K619 PolarHBondContact O-N 2.03Å; E616-K619 IonicContact OE1-NZ 3.29Å; E616-K619 PolarHBondContact OE1-NZ 3.01Å; E616-K619 WeakPolarHBondContact OE2-CD 3.32Å; E616-K619 IonicContact OE2-NZ 3.91Å; E616-K619 PolarHBondContact OE2-NZ 2.88Å; K619-V622 WeakPolarHBondContact O-CG2 2.97Å
620	G	74.4	Confident	67.4	Low	80 Å²	80	92 Å²	92	83%	0.825	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	0.1	-179.9	0	0	0	0	0	115.3	Y618	Y618-G620 VanDerWaalsContact C-N 3.28Å; Y618-G620 PolarHBondContact O-N 3.35Å
621	M	76.8	Confident	64.5	Low	69 Å²	69	98.5 Å²	98.5	34%	0.34	52%	0.522	S	S	.	.			trans	-102.6	44.5	-175.7	-68.2	-170	-179.4	0	0	112.3	S604 N605 W606 R614 Y618	S604-M621 CarbonylContact O-C 3.46Å; S604-M621 WeakPolarHBondContact O-CA 3.05Å; S604-M621 VanDerWaalsContact O-CB 3.23Å; S604-M621 WeakPolarHBondContact O-CB 3.15Å; S604-M621 VanDerWaalsContact O-O 3.11Å; N605-M621 WeakPolarHBondContact CA-O 3.46Å; W606-M621 WeakPolarHBondContact O-CB 3.43Å; R614-M621 PolarHBondContact NH1-O 3.04Å; Y618-M621 HydrophobicContact CD1-SD 3.85Å; Y618-M621 HydrophobicContact CE1-SD 4.26Å; Y618-M621 PolarHBondContact O-N 3.49Å; Y618-M621 VanDerWaalsContact O-N 3.13Å
622	V	65.9	Low	61.8	Low	62 Å²	62	99.3 Å²	99.3	38%	0.376	53%	0.529	S	S	.	.			trans	-80.7	145.2	-176.1	-173	0	0	0	0	110.6	K619 P624	K619-V622 WeakPolarHBondContact O-CG2 2.97Å; V622-P624 VanDerWaalsContact O-CD 3.32Å; V622-P624 WeakPolarHBondContact O-CD 3.38Å
623	D	55.8	Low	59	Low	45 Å²	45	98.6 Å²	98.6	24%	0.241	54%	0.537	C	S	.	.			trans	-70.8	118.2	172.1	-158	-36.6	0	0	0	109.4	N605 K625 T626	N605-D623 HydrophobicContact CB-CB 3.93Å; N605-D623 PolarHBondContact ND2-OD2 3.36Å; D623-K625 PolarHBondContact O-N 2.97Å; D623-K625 WeakPolarHBondContact OD1-CB 3.44Å; D623-K625 PolarHBondContact OD1-N 2.93Å; D623-T626 PolarHBondContact O-N 3Å; D623-T626 PolarHBondContact O-OG1 2.88Å
624	P	46.7	Very low	56.1	Low	91 Å²	91	102.4 Å²	102.4	59%	0.591	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-61.8	-16.3	-179.7	-20.2	31.3	0	0	0	113.6	V622 T626	V622-P624 VanDerWaalsContact O-CD 3.32Å; V622-P624 WeakPolarHBondContact O-CD 3.38Å; P624-T626 VanDerWaalsContact C-N 3.3Å; P624-T626 PolarHBondContact O-N 2.91Å
625	K	48.8	Very low	53.4	Low	154 Å²	154	108.8 Å²	108.8	67%	0.67	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-77	-9.8	-174.2	-71	-174.2	174.6	-174.5	0	114.7	D623 E627	D623-K625 PolarHBondContact O-N 2.97Å; D623-K625 WeakPolarHBondContact OD1-CB 3.44Å; D623-K625 PolarHBondContact OD1-N 2.93Å; K625-E627 VanDerWaalsContact C-N 3.35Å
626	T	43.8	Very low	50.8	Low	107 Å²	107	111.8 Å²	111.8	66%	0.656	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-76.8	-23	177.6	-23.3	0	0	0	0	112.5	D623 P624	D623-T626 PolarHBondContact O-N 3Å; D623-T626 PolarHBondContact O-OG1 2.88Å; P624-T626 VanDerWaalsContact C-N 3.3Å; P624-T626 PolarHBondContact O-N 2.91Å
627	E	34.4	Very low	48	Very low	189 Å²	189	108 Å²	108	88%	0.883	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-20.9	-179.6	-73.7	-174.7	156	0	0	114.3	K625	K625-E627 VanDerWaalsContact C-N 3.35Å
628	A	32.3	Very low	45.2	Very low	77 Å²	77	109.6 Å²	109.6	64%	0.636	64%	0.642	S	S	*	*	S	Bend	trans	-102.7	-1.4	-169.8	0	0	0	0	0	115.6	H630	A628-H630 PolarHBondContact O-N 3.34Å
629	D	37.1	Very low	42.5	Very low	97 Å²	97	121 Å²	121	52%	0.519	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98	26.9	-165.5	-108.1	30.1	0	0	0	114.6	K441	K441-D629 IonicContact NZ-OD2 2.9Å; K441-D629 PolarHBondContact NZ-OD2 3.07Å
630	H	34.3	Very low	40	Very low	192 Å²	192	124.1 Å²	124.1	89%	0.889	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-5	170.5	-90.1	-42.6	0	0	0	115.4	A628	A628-H630 PolarHBondContact O-N 3.34Å
631	E	26.6	Very low	38.4	Very low	171 Å²	171	126 Å²	126	80%	0.799	70%	0.696	S	S	*	*			trans	-134.6	114.6	174.4	-70.2	-174.1	168.1	0	0	110.8	P633	E631-P633 VanDerWaalsContact O-CD 3.24Å; E631-P633 WeakPolarHBondContact O-CD 3.43Å
632	I	28.9	Very low	36.5	Very low	149 Å²	149	135.6 Å²	135.6	76%	0.764	74%	0.74	S	S	*	*			trans	-71.6	115.1	166.8	-58.8	168.5	0	0	0	106.5	T634	I632-T634 HydrophobicContact CG2-CG2 4.34Å; I632-T634 PolarHBondContact O-N 3.44Å; I632-T634 VanDerWaalsContact O-N 3.09Å
633	P	27.3	Very low	35	Very low	122 Å²	122	139.3 Å²	139.3	79%	0.792	76%	0.758	S	S	*	*			trans	-78.6	100	167.5	0.5	19	0	0	0	106.7	E631	E631-P633 VanDerWaalsContact O-CD 3.24Å; E631-P633 WeakPolarHBondContact O-CD 3.43Å
634	T	28.6	Very low	33.9	Very low	113 Å²	113	144.2 Å²	144.2	69%	0.693	79%	0.785	S	S	*	*			trans	-65.2	132.4	167	42.5	0	0	0	0	109.6	I632 S636	I632-T634 HydrophobicContact CG2-CG2 4.34Å; I632-T634 PolarHBondContact O-N 3.44Å; I632-T634 VanDerWaalsContact O-N 3.09Å; T634-S636 PolarHBondContact O-N 3.25Å
635	V	31	Very low	33.2	Very low	154 Å²	154	147.2 Å²	147.2	93%	0.933	80%	0.796	S	S	*	*	S	Bend	trans	-64.8	94.6	172.1	177.8	0	0	0	0	109.3
636	S	30.7	Very low	32.3	Very low	107 Å²	107	146.8 Å²	146.8	75%	0.748	80%	0.804	S	S	*	*			trans	-160.5	106.8	153.2	62.1	0	0	0	0	108.6	T634	T634-S636 PolarHBondContact O-N 3.25Å
637	G	27.4	Very low	31.6	Very low	69 Å²	69	149.3 Å²	149.3	71%	0.711	81%	0.813	S	S	*	*			trans	173	74.2	179.1	0	0	0	0	0	111.6	R639	G637-R639 PolarHBondContact O-N 3.36Å
638	S	29.7	Very low	31.4	Very low	118 Å²	118	146.6 Å²	146.6	83%	0.825	81%	0.808	S	S	*	*			trans	-44.2	110.3	159.7	46.4	0	0	0	0	110	K640	S638-K640 PolarHBondContact O-N 3.18Å
639	R	30.7	Very low	31.3	Very low	247 Å²	247	151.6 Å²	151.6	93%	0.932	82%	0.82	S	S	*	*			trans	-67.4	109.9	163.7	-75.8	-176.1	-174.5	177.9	0.8	107.6	G637	G637-R639 PolarHBondContact O-N 3.36Å
640	K	29.5	Very low	30.9	Very low	193 Å²	193	155.8 Å²	155.8	84%	0.839	84%	0.844	S	S	*	*			trans	-77.7	144.9	152.2	-83.9	-173.7	175.3	-177	0	108.3	S638	S638-K640 PolarHBondContact O-N 3.18Å
641	P	39.9	Very low	30.6	Very low	120 Å²	120	152.8 Å²	152.8	78%	0.779	84%	0.84	S	S	*	*			trans	-83.9	136.3	176.3	33.1	-29.4	0	0	0	110.3
642	E	36.9	Very low	31	Very low	270 Å²	270	151.1 Å²	151.1	100%	1.262	84%	0.844	S	S	*	*			trans	-135.3	0	139.8	-77.7	-169.1	169.6	0	0	107.9

Retrieved 642 of 642 residues in 268.3 ms (Link to these results)

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