A0A087Y3W4_POEFO Loading...

Endothelin converting enzyme like 1

AlphaFold DB , UniProt , Accession A0A087Y3W4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 795 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	27.5	Very low	42.8	Very low	241 Å²	241	104.2 Å²	104.2	100%	1.187	52%	0.519	S	S	*	.				0	95.3	0	-75.1	179.7	-134.7	0	0	107	K3	M1-K3 PolarHBondContact O-N 3.24Å
2	E	22.2	Very low	44.7	Very low	189 Å²	189	99.8 Å²	99.8	88%	0.883	50%	0.499	S	S	*	.			trans	-61.9	129.8	168.8	-75.7	176.6	149.9	0	0	107.8	T4	E2-T4 PolarHBondContact O-N 3.01Å
3	K	22.5	Very low	46.4	Very low	206 Å²	206	102.9 Å²	102.9	90%	0.896	51%	0.511	S	S	*	.			trans	-65.6	99	171.3	-75.5	-179.6	176.2	-178.6	0	106.9	M1 Y5	M1-K3 PolarHBondContact O-N 3.24Å; K3-Y5 PolarHBondContact O-N 3.35Å
4	T	29.8	Very low	47.9	Very low	129 Å²	129	98.1 Å²	98.1	79%	0.791	49%	0.486	S	S	*	.			trans	-58.5	103	163.1	39.4	0	0	0	0	107	E2 S6	E2-T4 PolarHBondContact O-N 3.01Å; T4-S6 PolarHBondContact O-N 3.12Å
5	Y	36	Very low	49.1	Very low	167 Å²	167	92.9 Å²	92.9	66%	0.655	46%	0.46	S	S	*	.			trans	-62.9	107.1	173	-159	-89.9	0	0	0	106.6	K3 L7	K3-Y5 PolarHBondContact O-N 3.35Å; Y5-L7 PolarHBondContact O-N 2.63Å
6	S	46.4	Very low	49.9	Very low	46 Å²	46	90.6 Å²	90.6	32%	0.322	45%	0.447	S	S	.	.			trans	-66.7	117.6	177	-164.8	0	0	0	0	107.8	T4 T8 A9	T4-S6 PolarHBondContact O-N 3.12Å; S6-T8 PolarHBondContact O-N 3.39Å; S6-T8 PolarHBondContact OG-OG1 2.68Å; S6-A9 PolarHBondContact O-N 3.35Å
7	L	50.8	Low	50	Low	52 Å²	52	90.6 Å²	90.6	27%	0.272	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-4.7	175.4	-74.1	165.5	0	0	0	112.9	Y5 F677 L765 P785 M786	Y5-L7 PolarHBondContact O-N 2.63Å; L7-F677 HydrophobicContact CB-CD1 4.24Å; L7-F677 HydrophobicContact CB-CE1 4.01Å; L7-F677 HydrophobicContact CD1-CD1 4.38Å; L7-F677 HydrophobicContact CD1-CE1 3.8Å; L7-L765 WeakPolarHBondContact O-CD1 3.46Å; L7-P785 HydrophobicContact CD2-CB 3.72Å; L7-M786 HydrophobicContact CD2-CE 4.35Å
8	T	52.9	Low	50	Low	1 Å²	1	92.2 Å²	92.2	1%	0.006	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-0.1	-174.2	58.9	0	0	0	0	113.9	S6 H10 Y11 D12 F677 T678 V679 H761	S6-T8 PolarHBondContact O-N 3.39Å; S6-T8 PolarHBondContact OG-OG1 2.68Å; T8-H10 VanDerWaalsContact C-N 3.29Å; T8-H10 PolarHBondContact O-N 3.16Å; T8-H10 VanDerWaalsContact O-N 3.09Å; T8-Y11 WeakPolarHBondContact O-CB 3.47Å; T8-Y11 PolarHBondContact O-N 2.95Å; T8-D12 PolarHBondContact O-N 3.16Å; T8-F677 HydrophobicContact CG2-CD1 4.32Å; T8-T678 WeakPolarHBondContact CB-O 3.34Å; T8-T678 WeakPolarHBondContact CG2-O 3.08Å; T8-T678 PolarHBondContact OG1-O 2.95Å; T8-V679 HydrophobicContact CG2-CG2 4.4Å; T8-H761 VanDerWaalsContact CG2-NE2 3.3Å; T8-H761 WeakPolarHBondContact CG2-NE2 3.32Å
9	A	55	Low	49.2	Very low	47 Å²	47	98.2 Å²	98.2	39%	0.388	47%	0.471	S	S	.	.	H	α-helix	trans	-54.6	-38.1	-168.1	0	0	0	0	0	114.6	S6	S6-A9 PolarHBondContact O-N 3.35Å
10	H	62.1	Low	48.5	Very low	65 Å²	65	97.1 Å²	97.1	30%	0.301	49%	0.487	S	S	.	.	H	α-helix	trans	-78.8	-25.3	178.2	-66.6	-53.9	0	0	0	113.7	T8 E13 F14	T8-H10 VanDerWaalsContact C-N 3.29Å; T8-H10 PolarHBondContact O-N 3.16Å; T8-H10 VanDerWaalsContact O-N 3.09Å; H10-E13 IonicContact ND1-OE1 2.97Å; H10-E13 PolarHBondContact ND1-OE1 3.19Å; H10-F14 WeakPolarHBondContact O-CD2 3.45Å; H10-F14 VanDerWaalsContact O-CE2 3.31Å; H10-F14 WeakPolarHBondContact O-CE2 3.43Å
11	Y	65.4	Low	47.6	Very low	3 Å²	3	95.7 Å²	95.7	1%	0.012	50%	0.497	C	S	.	.	H	α-helix	trans	-71.1	-38.4	175.9	178.6	-102.3	0	0	0	111.7	T8 E13 F14 Q15 Y140 M741 H761	T8-Y11 WeakPolarHBondContact O-CB 3.47Å; T8-Y11 PolarHBondContact O-N 2.95Å; Y11-E13 PolarHBondContact O-N 3.23Å; Y11-F14 PolarHBondContact O-N 3.34Å; Y11-Q15 HydrophobicContact CE1-CG 4.36Å; Y11-Q15 PolarHBondContact O-NE2 3.46Å; Y11-Q15 PolarHBondContact OH-NE2 3.04Å; Y11-Y140 AromaticContact CD2-CD1 3.97Å; Y11-Y140 HydrophobicContact CD2-CD1 3.97Å; Y11-Y140 AromaticContact CD2-CE1 3.46Å; Y11-Y140 HydrophobicContact CD2-CE1 3.46Å; Y11-Y140 VanDerWaalsContact CD2-CE1 3.46Å; Y11-Y140 AromaticContact CE2-CE1 3.63Å; Y11-Y140 HydrophobicContact CE2-CE1 3.63Å; Y11-M741 PolarHBondContact OH-O 3.16Å; Y11-H761 AromaticContact CD1-CE1 3.38Å; Y11-H761 WeakPolarHBondContact CD1-CE1 3.4Å; Y11-H761 AromaticContact CD1-CG 3.74Å; Y11-H761 AromaticContact CD1-ND1 3.31Å; Y11-H761 VanDerWaalsContact CD1-ND1 3.31Å; Y11-H761 WeakPolarHBondContact CD1-ND1 3.22Å; Y11-H761 AromaticContact CD1-NE2 3.86Å; Y11-H761 HydrophobicContact CD2-CB 3.89Å; Y11-H761 AromaticContact CD2-CG 3.96Å; Y11-H761 AromaticContact CE1-CE1 3.38Å; Y11-H761 WeakPolarHBondContact CE1-CE1 3.29Å; Y11-H761 AromaticContact CE1-CG 3.98Å; Y11-H761 AromaticContact CE1-ND1 3.14Å; Y11-H761 WeakPolarHBondContact CE1-ND1 3.22Å; Y11-H761 HydrophobicContact CE2-CB 4.12Å; Y11-H761 AromaticContact CE2-ND1 3.9Å; Y11-H761 HydrophobicContact CG-CB 4.1Å; Y11-H761 AromaticContact CG-CG 3.71Å; Y11-H761 AromaticContact CG-ND1 3.74Å; Y11-H761 AromaticContact CZ-ND1 3.46Å
12	D	65.3	Low	47.6	Very low	52 Å²	52	95.8 Å²	95.8	28%	0.278	48%	0.484	S	S	.	.	H	α-helix	trans	-61.9	-28	179.2	-68.7	-25.2	0	0	0	111.9	T8 F14 Q15	T8-D12 PolarHBondContact O-N 3.16Å; D12-F14 PolarHBondContact O-N 3.09Å; D12-Q15 PolarHBondContact O-N 3.18Å
13	E	67.6	Low	47.9	Very low	140 Å²	140	98.3 Å²	98.3	65%	0.654	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-23.5	173.5	-62.5	175.9	-155.6	0	0	113.3	H10 Y11	H10-E13 IonicContact ND1-OE1 2.97Å; H10-E13 PolarHBondContact ND1-OE1 3.19Å; Y11-E13 PolarHBondContact O-N 3.23Å
14	F	67.1	Low	48	Very low	35 Å²	35	93.2 Å²	93.2	15%	0.154	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-5.2	-179.3	-64.3	-69.4	0	0	0	113.8	H10 Y11 D12 L148 R149	H10-F14 WeakPolarHBondContact O-CD2 3.45Å; H10-F14 VanDerWaalsContact O-CE2 3.31Å; H10-F14 WeakPolarHBondContact O-CE2 3.43Å; Y11-F14 PolarHBondContact O-N 3.34Å; D12-F14 PolarHBondContact O-N 3.09Å; F14-L148 HydrophobicContact CB-CB 4.39Å; F14-L148 HydrophobicContact CB-CD1 4.36Å; F14-L148 HydrophobicContact CD1-CB 3.7Å; F14-L148 HydrophobicContact CD2-CB 4.27Å; F14-L148 HydrophobicContact CD2-CD1 3.59Å; F14-L148 HydrophobicContact CE1-CB 3.99Å; F14-L148 HydrophobicContact CE2-CD1 3.96Å; F14-L148 HydrophobicContact CG-CB 3.85Å; F14-L148 HydrophobicContact CG-CD1 3.91Å; F14-L148 HydrophobicContact CG-CG 4.45Å; F14-L148 HydrophobicContact CZ-CB 4.39Å; F14-R149 HydrophobicContact CE1-CG 3.78Å; F14-R149 HydrophobicContact CZ-CG 4.45Å
15	Q	65.6	Low	47.8	Very low	21 Å²	21	92.1 Å²	92.1	10%	0.098	48%	0.475	C	S	.	.	S	Bend	trans	-76.7	134.7	178.9	-57.7	-48.7	-54.5	0	0	110.8	Y11 D12 I17 R743 I748	Y11-Q15 HydrophobicContact CE1-CG 4.36Å; Y11-Q15 PolarHBondContact O-NE2 3.46Å; Y11-Q15 PolarHBondContact OH-NE2 3.04Å; D12-Q15 PolarHBondContact O-N 3.18Å; Q15-I17 VanDerWaalsContact C-N 3.34Å; Q15-I17 HydrophobicContact CB-CG1 4.34Å; Q15-I17 PolarHBondContact O-N 3.4Å; Q15-R743 PolarHBondContact OE1-O 3.1Å; Q15-I748 HydrophobicContact CG-CD1 4.07Å
16	E	61.6	Low	47.2	Very low	55 Å²	55	91.5 Å²	91.5	26%	0.257	48%	0.483	S	S	.	.	B	Isolated β-bridge	trans	-80.6	85.4	172.3	-71.4	-176	-159.5	0	0	109.2	K18 I153	E16-K18 PolarHBondContact O-N 3.29Å; E16-I153 PolarHBondContact OE1-N 2.95Å
17	I	52.5	Low	46.2	Very low	92 Å²	92	97.4 Å²	97.4	47%	0.472	51%	0.509	S	S	.	.			trans	-81.7	98.3	171.7	-55.2	174.7	0	0	0	107.9	Q15 Y19	Q15-I17 VanDerWaalsContact C-N 3.34Å; Q15-I17 HydrophobicContact CB-CG1 4.34Å; Q15-I17 PolarHBondContact O-N 3.4Å; I17-Y19 HydrophobicContact CG2-CD2 3.92Å; I17-Y19 HydrophobicContact CG2-CE2 3.68Å
18	K	49.7	Very low	45.1	Very low	119 Å²	119	103 Å²	103	52%	0.517	54%	0.538	S	S	.	.			trans	-101.1	100	167	-73.6	-174.6	-175.8	172	0	108.8	E16 G20 E452	E16-K18 PolarHBondContact O-N 3.29Å; K18-G20 PolarHBondContact O-N 3.03Å; K18-E452 IonicContact NZ-OE1 2.93Å; K18-E452 PolarHBondContact NZ-OE1 3.44Å; K18-E452 IonicContact NZ-OE2 3.63Å; K18-E452 PolarHBondContact NZ-OE2 2.93Å
19	Y	35.5	Very low	43.6	Very low	206 Å²	206	107.7 Å²	107.7	81%	0.808	57%	0.571	S	S	*	*			trans	-60.5	108.5	166.1	-75.2	-82.4	0	0	0	108.7	I17 G21	I17-Y19 HydrophobicContact CG2-CD2 3.92Å; I17-Y19 HydrophobicContact CG2-CE2 3.68Å; Y19-G21 PolarHBondContact O-N 3.44Å
20	G	34.3	Very low	42.2	Very low	76 Å²	76	113.1 Å²	113.1	78%	0.784	59%	0.594	S	S	*	*			trans	-72.4	63.9	173.8	0	0	0	0	0	111.8	K18	K18-G20 PolarHBondContact O-N 3.03Å
21	G	29.5	Very low	40.3	Very low	68 Å²	68	113.4 Å²	113.4	70%	0.701	61%	0.614	S	S	*	*			trans	-97.6	82.8	176.7	0	0	0	0	0	112.1	Y19	Y19-G21 PolarHBondContact O-N 3.44Å
22	R	28.8	Very low	38.3	Very low	242 Å²	242	122.7 Å²	122.7	91%	0.913	66%	0.66	S	S	*	*			trans	-146.9	65.3	154.5	-74.2	-163.3	-173.6	173.1	3.1	111.3
23	Y	27	Very low	36.1	Very low	243 Å²	243	126.2 Å²	126.2	95%	0.953	68%	0.684	S	S	*	*			trans	-96.6	91.3	145.5	-90.8	-85.2	0	0	0	107.3
24	S	24.1	Very low	33.9	Very low	99 Å²	99	125.9 Å²	125.9	69%	0.692	69%	0.686	S	S	*	*			trans	-96.3	109.4	156.3	-175.6	0	0	0	0	105.6	D26	S24-D26 PolarHBondContact O-N 3.41Å
25	S	27.6	Very low	31.8	Very low	106 Å²	106	131.1 Å²	131.1	74%	0.741	71%	0.71	S	S	*	*			trans	-57.9	119.4	159.6	52.7	0	0	0	0	107.8
26	D	23.3	Very low	29.7	Very low	153 Å²	153	137.7 Å²	137.7	82%	0.818	75%	0.745	S	S	*	*			trans	-151.8	134.5	151.6	-91.4	-34.9	0	0	0	111.5	S24	S24-D26 PolarHBondContact O-N 3.41Å
27	I	25.3	Very low	27.8	Very low	170 Å²	170	138.9 Å²	138.9	87%	0.872	77%	0.772	S	S	*	*			trans	-75	143.6	-173	-71.4	164.6	0	0	0	109.9
28	L	26.5	Very low	26.3	Very low	169 Å²	169	138.2 Å²	138.2	89%	0.885	79%	0.788	S	S	*	*			trans	-56.6	142.1	172.2	-73.7	158	0	0	0	112.9
29	S	22.2	Very low	25	Very low	100 Å²	100	137.7 Å²	137.7	70%	0.699	80%	0.799	S	S	*	*			trans	-150.4	119.9	142.1	74.4	0	0	0	0	112.6
30	N	25.5	Very low	24.5	Very low	162 Å²	162	134.3 Å²	134.3	87%	0.866	80%	0.795	S	S	*	*			trans	59.8	121.2	147.1	-53	-15.9	0	0	0	117.5
31	G	22.4	Very low	24.1	Very low	70 Å²	70	136.4 Å²	136.4	72%	0.722	79%	0.788	S	S	*	*			cis	115.1	101.4	32.8	0	0	0	0	0	108.5
32	M	22.1	Very low	24.1	Very low	198 Å²	198	142.6 Å²	142.6	98%	0.975	79%	0.79	S	S	*	*			trans	-173.5	144.8	145.8	-104.1	-165.7	-63.7	0	0	111.8
33	T	20.2	Very low	24	Very low	126 Å²	126	139.6 Å²	139.6	77%	0.773	79%	0.786	S	S	*	*			trans	-105.3	159.3	-168.3	17.1	0	0	0	0	113.1
34	L	21.6	Very low	24	Very low	133 Å²	133	133.3 Å²	133.3	70%	0.696	77%	0.772	S	S	*	*			trans	97.9	124.1	140.5	-77.8	151	0	0	0	122
35	H	22.2	Very low	24.3	Very low	145 Å²	145	134.6 Å²	134.6	67%	0.671	78%	0.776	S	S	*	*			trans	103.7	109.6	132.9	-79.2	-48.2	0	0	0	122.5
36	L	22.5	Very low	24.4	Very low	160 Å²	160	141.2 Å²	141.2	84%	0.838	79%	0.785	S	S	*	*				39.7	126.6	120.5	-72.5	168.6	0	0	0	120.4
37	G	21.5	Very low	24.7	Very low	79 Å²	79	137.6 Å²	137.6	81%	0.814	78%	0.783	S	S	*	*				127.8	117.2	127.2	0	0	0	0	0	118.1
38	G	21.7	Very low	25	Very low	78 Å²	78	142 Å²	142	80%	0.804	79%	0.788	S	S	*	*				80.9	99.4	122.5	0	0	0	0	0	120.9
39	S	21.8	Very low	25.1	Very low	108 Å²	108	136.9 Å²	136.9	76%	0.755	78%	0.777	S	S	*	*				55.3	135.4	118.5	-144	0	0	0	0	123.9
40	L	24.7	Very low	25.6	Very low	136 Å²	136	139.6 Å²	139.6	71%	0.712	78%	0.784	S	S	*	*			trans	90.9	123.9	137.8	-87.1	154.3	0	0	0	122.1
41	D	26.6	Very low	25.8	Very low	119 Å²	119	136.5 Å²	136.5	64%	0.636	77%	0.771	S	S	*	*			trans	74.5	148.5	136.6	-88.2	-3.2	0	0	0	119.6
42	R	27.7	Very low	26.2	Very low	199 Å²	199	144.1 Å²	144.1	75%	0.751	78%	0.778	S	S	*	*			cis	178.5	149.4	-13.9	-140.9	174.7	178.1	176.5	-0.2	104.8
43	H	26.8	Very low	26.5	Very low	179 Å²	179	138.8 Å²	138.8	83%	0.829	76%	0.76	S	S	*	*			trans	-162.3	106.2	142.5	-98	-53	0	0	0	109.2
44	V	28.6	Very low	27	Very low	110 Å²	110	140.1 Å²	140.1	67%	0.667	76%	0.762	S	S	*	*				80.9	106.8	89.6	168.3	0	0	0	0	111.1
45	V	30.7	Very low	27.4	Very low	126 Å²	126	137.7 Å²	137.7	76%	0.764	76%	0.757	S	S	*	*				95.6	125.6	56.1	165.9	0	0	0	0	113.2
46	R	28.3	Very low	27.7	Very low	246 Å²	246	141.9 Å²	141.9	93%	0.928	77%	0.767	S	S	*	*				178.8	124.8	125.4	-99.7	177.8	170.5	-176.8	-2.7	107.1
47	G	29.8	Very low	28.1	Very low	76 Å²	76	140.5 Å²	140.5	78%	0.784	76%	0.76	S	S	*	*			cis	114.4	143.9	42.1	0	0	0	0	0	106.1
48	R	32.4	Very low	28.6	Very low	262 Å²	262	144.9 Å²	144.9	99%	0.989	76%	0.757	S	S	*	*			cis	-168.8	165.2	11	-97.5	173.1	162.1	176.3	-5.8	103.5
49	G	28.7	Very low	29	Very low	63 Å²	63	146.8 Å²	146.8	65%	0.649	75%	0.748	S	S	*	*			cis	-175.5	144.7	8	0	0	0	0	0	106.7
50	N	32.2	Very low	29.5	Very low	157 Å²	157	149.1 Å²	149.1	84%	0.84	75%	0.752	S	S	*	*				63.6	137.1	96.6	-89.8	27	0	0	0	114.9
51	T	30.2	Very low	29.8	Very low	96 Å²	96	147.2 Å²	147.2	59%	0.589	75%	0.75	S	S	*	*			cis	179.5	153.3	-3.7	16.1	0	0	0	0	107.7
52	W	30	Very low	30	Very low	231 Å²	231	147.4 Å²	147.4	88%	0.875	76%	0.761	S	S	*	*			trans	75.2	112.5	139.3	-74.1	28.2	0	0	0	119.7
53	S	29.3	Very low	30.2	Very low	85 Å²	85	143.2 Å²	143.2	59%	0.594	76%	0.762	S	S	*	*				73.7	115	81.6	80.9	0	0	0	0	115
54	N	29.6	Very low	30.4	Very low	154 Å²	154	140.4 Å²	140.4	82%	0.824	76%	0.762	S	S	*	*				161	131.2	103.1	-116.3	-14.4	0	0	0	114
55	S	29.3	Very low	30.8	Very low	83 Å²	83	141.1 Å²	141.1	58%	0.58	77%	0.772	S	S	*	*			trans	72.8	132.8	132.1	119.6	0	0	0	0	123.9
56	R	30	Very low	30.9	Very low	232 Å²	232	138.8 Å²	138.8	88%	0.875	77%	0.773	S	S	*	*			trans	76.9	149	138.6	-71.6	174.4	-177.1	-179.2	1.3	118.2
57	N	31.1	Very low	31.3	Very low	132 Å²	132	130.6 Å²	130.6	71%	0.706	77%	0.766	S	S	*	*			cis	178.8	148.1	-23.5	-145	3.1	0	0	0	104.9
58	K	31.2	Very low	32.4	Very low	170 Å²	170	135.2 Å²	135.2	74%	0.739	77%	0.772	S	S	*	*			trans	65.3	156.5	156.6	-64.8	-167.8	166.9	-177.3	0	118.7
59	D	30.5	Very low	33.5	Very low	118 Å²	118	127.8 Å²	127.8	63%	0.631	76%	0.757	S	S	*	*			cis	-179.4	157.1	-22	-99.5	-32.1	0	0	0	104.1
60	L	32.8	Very low	35.1	Very low	158 Å²	158	136.6 Å²	136.6	83%	0.827	77%	0.771	S	S	*	*			trans	67.1	151.9	156.2	-65.5	139.1	0	0	0	117.4
61	S	31.2	Very low	36.4	Very low	95 Å²	95	135.9 Å²	135.9	66%	0.664	76%	0.756	S	S	*	*			cis	-178.4	144.9	-25.9	52	0	0	0	0	105.3
62	S	29.9	Very low	38.3	Very low	124 Å²	124	134 Å²	134	87%	0.867	75%	0.747	S	S	*	*			trans	155.3	154.3	130.5	61.9	0	0	0	0	113.7
63	S	31.7	Very low	40	Very low	111 Å²	111	133.9 Å²	133.9	78%	0.776	75%	0.747	S	S	*	*			trans	-72.4	154.5	-158.2	53.8	0	0	0	0	117.9
64	S	31.7	Very low	41.9	Very low	119 Å²	119	139.9 Å²	139.9	83%	0.832	76%	0.756	S	S	*	*				-160	135.3	123.8	59.5	0	0	0	0	112.1
65	S	36.9	Very low	43.8	Very low	125 Å²	125	137.2 Å²	137.2	87%	0.874	74%	0.739	S	S	*	*			trans	-55	140.3	179	49.4	0	0	0	0	116.4
66	G	33.4	Very low	45.7	Very low	77 Å²	77	137 Å²	137	79%	0.794	73%	0.731	S	S	*	*			trans	-147.9	124.1	163	0	0	0	0	0	110.2
67	G	36.3	Very low	47.8	Very low	75 Å²	75	130.2 Å²	130.2	77%	0.773	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-67.9	162.4	-165	0	0	0	0	0	117
68	L	52.2	Low	49.9	Very low	173 Å²	173	129.5 Å²	129.5	91%	0.906	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-62.3	130.7	174.1	-73.2	158.8	0	0	0	111	R70	L68-R70 PolarHBondContact O-N 3.25Å
69	P	55.9	Low	52.2	Low	105 Å²	105	125.3 Å²	125.3	68%	0.682	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-72.8	131	173.2	6.8	4.2	0	0	0	110.2	W71	P69-W71 PolarHBondContact O-N 3.06Å
70	R	62.4	Low	54.4	Low	249 Å²	249	123.5 Å²	123.5	94%	0.94	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-72.7	119	166.7	-94.7	173.4	141.5	168.9	-5.4	109	L68	L68-R70 PolarHBondContact O-N 3.25Å
71	W	59.3	Low	56.6	Low	141 Å²	141	118.8 Å²	118.8	53%	0.534	68%	0.679	S	S	.	*	P	Polyproline II helix	trans	-70.9	137	177	-67.8	33.3	0	0	0	110.1	P69 E75 N76 L79	P69-W71 PolarHBondContact O-N 3.06Å; W71-E75 HydrophobicContact CB-CB 4.42Å; W71-E75 HydrophobicContact CE3-CB 4.13Å; W71-N76 WeakPolarHBondContact CB-OD1 3.5Å; W71-L79 HydrophobicContact CH2-CD1 3.99Å; W71-L79 HydrophobicContact CH2-CD2 4.07Å; W71-L79 HydrophobicContact CZ3-CB 4.28Å; W71-L79 HydrophobicContact CZ3-CD1 3.62Å; W71-L79 HydrophobicContact CZ3-CD2 3.63Å; W71-L79 HydrophobicContact CZ3-CG 4.01Å
72	S	70.8	Confident	59	Low	56 Å²	56	119.8 Å²	119.8	39%	0.392	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-70.7	156	177	69.6	0	0	0	0	111.4	R74 E75 N76	S72-R74 PolarHBondContact O-N 3.48Å; S72-E75 WeakPolarHBondContact CB-OE2 3.33Å; S72-E75 PolarHBondContact N-OE2 3.05Å; S72-E75 PolarHBondContact O-N 3.23Å; S72-E75 VanDerWaalsContact OG-CD 3.28Å; S72-E75 WeakPolarHBondContact OG-CG 3Å; S72-E75 PolarHBondContact OG-N 2.65Å; S72-E75 PolarHBondContact OG-OE2 3.1Å; S72-N76 PolarHBondContact O-N 2.76Å; S72-N76 VanDerWaalsContact O-N 3.14Å
73	R	65.7	Low	61.6	Low	230 Å²	230	118.6 Å²	118.6	87%	0.868	66%	0.664	S	S	*	*	H	α-helix	trans	-54.4	-28.5	177	-103.3	-176.8	177.8	-178.1	-0.7	113.3	C77	R73-C77 PolarHBondContact O-N 3.46Å
74	R	67.5	Low	64.1	Low	211 Å²	211	120.6 Å²	120.6	80%	0.796	66%	0.659	S	S	*	*	H	α-helix	trans	-73.9	-39.7	176.8	-78.3	-175.8	170.5	-175.8	-2.6	112.3	S72 C77 L78	S72-R74 PolarHBondContact O-N 3.48Å; R74-C77 PolarHBondContact O-N 2.88Å; R74-L78 WeakPolarHBondContact O-CG 3.17Å; R74-L78 PolarHBondContact O-N 2.68Å
75	E	69.7	Low	66.5	Low	97 Å²	97	117.3 Å²	117.3	45%	0.453	64%	0.639	S	S	.	*	H	α-helix	trans	-67.4	-39.4	176.9	-71.6	158.7	153.7	0	0	111.4	W71 S72 C77 L78 L79	W71-E75 HydrophobicContact CB-CB 4.42Å; W71-E75 HydrophobicContact CE3-CB 4.13Å; S72-E75 WeakPolarHBondContact CB-OE2 3.33Å; S72-E75 PolarHBondContact N-OE2 3.05Å; S72-E75 PolarHBondContact O-N 3.23Å; S72-E75 VanDerWaalsContact OG-CD 3.28Å; S72-E75 WeakPolarHBondContact OG-CG 3Å; S72-E75 PolarHBondContact OG-N 2.65Å; S72-E75 PolarHBondContact OG-OE2 3.1Å; E75-C77 PolarHBondContact O-N 3.45Å; E75-L78 PolarHBondContact O-N 2.92Å; E75-L79 WeakPolarHBondContact O-CB 3.46Å; E75-L79 PolarHBondContact O-N 2.89Å
76	N	69.6	Low	68.7	Low	80 Å²	80	113.9 Å²	113.9	43%	0.428	62%	0.618	S	S	.	*	H	α-helix	trans	-66.9	-35.5	175	-72.5	-11.9	0	0	0	113	W71 S72 S80	W71-N76 WeakPolarHBondContact CB-OD1 3.5Å; S72-N76 PolarHBondContact O-N 2.76Å; S72-N76 VanDerWaalsContact O-N 3.14Å; N76-S80 VanDerWaalsContact O-CB 3.31Å; N76-S80 WeakPolarHBondContact O-CB 3.48Å; N76-S80 PolarHBondContact O-N 3.34Å; N76-S80 PolarHBondContact O-OG 3.11Å
77	C	73.9	Confident	71.3	Confident	89 Å²	89	111.5 Å²	111.5	60%	0.601	59%	0.594	S	S	*	*	H	α-helix	trans	-67.8	-42.5	173.2	-82.8	0	0	0	0	112	R73 R74 E75 S80 A81	R73-C77 PolarHBondContact O-N 3.46Å; R74-C77 PolarHBondContact O-N 2.88Å; E75-C77 PolarHBondContact O-N 3.45Å; C77-S80 PolarHBondContact O-N 3.22Å; C77-A81 WeakPolarHBondContact O-CB 3.38Å; C77-A81 PolarHBondContact O-N 3.12Å
78	L	76.5	Confident	73.7	Confident	116 Å²	116	112.1 Å²	112.1	61%	0.607	58%	0.578	S	S	*	*	H	α-helix	trans	-65.8	-40.9	177.6	-76.3	167.3	0	0	0	111.7	R74 E75 A81 L82	R74-L78 WeakPolarHBondContact O-CG 3.17Å; R74-L78 PolarHBondContact O-N 2.68Å; E75-L78 PolarHBondContact O-N 2.92Å; L78-A81 PolarHBondContact O-N 3.06Å; L78-L82 WeakPolarHBondContact O-CB 2.98Å; L78-L82 WeakPolarHBondContact O-CG 3.35Å; L78-L82 PolarHBondContact O-N 3.24Å
79	L	78.3	Confident	75.3	Confident	83 Å²	83	108.1 Å²	108.1	44%	0.435	56%	0.563	S	S	.	*	H	α-helix	trans	-65.6	-41.5	175.8	-144.5	82.3	0	0	0	111.3	W71 E75 L82 V83	W71-L79 HydrophobicContact CH2-CD1 3.99Å; W71-L79 HydrophobicContact CH2-CD2 4.07Å; W71-L79 HydrophobicContact CZ3-CB 4.28Å; W71-L79 HydrophobicContact CZ3-CD1 3.62Å; W71-L79 HydrophobicContact CZ3-CD2 3.63Å; W71-L79 HydrophobicContact CZ3-CG 4.01Å; E75-L79 WeakPolarHBondContact O-CB 3.46Å; E75-L79 PolarHBondContact O-N 2.89Å; L79-L82 PolarHBondContact O-N 3.03Å; L79-V83 WeakPolarHBondContact O-CB 3.25Å; L79-V83 VanDerWaalsContact O-CG2 3.26Å; L79-V83 WeakPolarHBondContact O-CG2 3.33Å; L79-V83 PolarHBondContact O-N 3.35Å
80	S	77.1	Confident	76.8	Confident	79 Å²	79	109 Å²	109	55%	0.552	56%	0.561	S	S	*	*	H	α-helix	trans	-65.3	-39.6	176.9	-58	0	0	0	0	111.8	N76 C77 V83 F84	N76-S80 VanDerWaalsContact O-CB 3.31Å; N76-S80 WeakPolarHBondContact O-CB 3.48Å; N76-S80 PolarHBondContact O-N 3.34Å; N76-S80 PolarHBondContact O-OG 3.11Å; C77-S80 PolarHBondContact O-N 3.22Å; S80-V83 PolarHBondContact O-N 3.35Å; S80-F84 WeakPolarHBondContact O-CB 3.41Å; S80-F84 PolarHBondContact O-N 2.89Å
81	A	78.3	Confident	78	Confident	59 Å²	59	101.4 Å²	101.4	49%	0.488	54%	0.539	S	S	.	.	H	α-helix	trans	-66.3	-38.9	174.8	0	0	0	0	0	112.1	C77 L78 F84 A85	C77-A81 WeakPolarHBondContact O-CB 3.38Å; C77-A81 PolarHBondContact O-N 3.12Å; L78-A81 PolarHBondContact O-N 3.06Å; A81-F84 PolarHBondContact O-N 3.05Å; A81-A85 VanDerWaalsContact O-CB 3.28Å; A81-A85 WeakPolarHBondContact O-CB 3.32Å; A81-A85 PolarHBondContact O-N 2.77Å
82	L	82.6	Confident	79.2	Confident	117 Å²	117	99.3 Å²	99.3	61%	0.613	54%	0.537	S	S	*	.	H	α-helix	trans	-65.9	-42.6	174.3	-86	163.6	0	0	0	112.2	L78 L79 F84 A85 A86	L78-L82 WeakPolarHBondContact O-CB 2.98Å; L78-L82 WeakPolarHBondContact O-CG 3.35Å; L78-L82 PolarHBondContact O-N 3.24Å; L79-L82 PolarHBondContact O-N 3.03Å; L82-F84 VanDerWaalsContact C-N 3.33Å; L82-A85 PolarHBondContact O-N 2.89Å; L82-A86 VanDerWaalsContact O-CB 3.27Å; L82-A86 WeakPolarHBondContact O-CB 3.43Å; L82-A86 PolarHBondContact O-N 3.29Å
83	V	83.9	Confident	80	Confident	99 Å²	99	98.5 Å²	98.5	60%	0.6	54%	0.538	S	S	*	.	H	α-helix	trans	-65	-39.9	175.8	171.7	0	0	0	0	110.7	L79 S80 A86 G87	L79-V83 WeakPolarHBondContact O-CB 3.25Å; L79-V83 VanDerWaalsContact O-CG2 3.26Å; L79-V83 WeakPolarHBondContact O-CG2 3.33Å; L79-V83 PolarHBondContact O-N 3.35Å; S80-V83 PolarHBondContact O-N 3.35Å; V83-A86 PolarHBondContact O-N 3.46Å; V83-G87 PolarHBondContact O-N 3.11Å
84	F	83.4	Confident	80.8	Confident	152 Å²	152	90.6 Å²	90.6	67%	0.667	52%	0.518	S	S	*	.	H	α-helix	trans	-67.2	-41.8	176	-164.9	-93.9	0	0	0	112.1	S80 A81 L82 G87 M88	S80-F84 WeakPolarHBondContact O-CB 3.41Å; S80-F84 PolarHBondContact O-N 2.89Å; A81-F84 PolarHBondContact O-N 3.05Å; L82-F84 VanDerWaalsContact C-N 3.33Å; F84-G87 PolarHBondContact O-N 3.18Å; F84-M88 HydrophobicContact CD1-CG 4.19Å; F84-M88 HydrophobicContact CE1-CG 3.92Å; F84-M88 WeakPolarHBondContact O-CB 3.43Å; F84-M88 WeakPolarHBondContact O-CG 3.33Å; F84-M88 PolarHBondContact O-N 3.33Å
85	A	83.4	Confident	81.5	Confident	51 Å²	51	86.2 Å²	86.2	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-64.9	-41.6	175.2	0	0	0	0	0	112	A81 L82 M88 C89	A81-A85 VanDerWaalsContact O-CB 3.28Å; A81-A85 WeakPolarHBondContact O-CB 3.32Å; A81-A85 PolarHBondContact O-N 2.77Å; L82-A85 PolarHBondContact O-N 2.89Å; A85-M88 PolarHBondContact O-N 3.49Å; A85-C89 WeakPolarHBondContact O-CB 3.39Å; A85-C89 PolarHBondContact O-N 3.27Å; A85-C89 PolarHBondContact O-SG 3.24Å
86	A	83.6	Confident	82	Confident	53 Å²	53	87.2 Å²	87.2	44%	0.438	52%	0.516	S	S	.	.	H	α-helix	trans	-65.1	-41.3	174.8	0	0	0	0	0	111.8	L82 V83 C89 L90	L82-A86 VanDerWaalsContact O-CB 3.27Å; L82-A86 WeakPolarHBondContact O-CB 3.43Å; L82-A86 PolarHBondContact O-N 3.29Å; V83-A86 PolarHBondContact O-N 3.46Å; A86-C89 PolarHBondContact O-N 2.98Å; A86-L90 PolarHBondContact O-N 2.84Å
87	G	87.4	Confident	82.3	Confident	27 Å²	27	85.6 Å²	85.6	28%	0.278	51%	0.513	S	S	.	.	H	α-helix	trans	-61.7	-44.4	173.5	0	0	0	0	0	112.5	V83 F84 C89 L90 I91	V83-G87 PolarHBondContact O-N 3.11Å; F84-G87 PolarHBondContact O-N 3.18Å; G87-C89 PolarHBondContact O-N 3.47Å; G87-L90 PolarHBondContact O-N 2.88Å; G87-I91 VanDerWaalsContact O-CG1 3.28Å; G87-I91 WeakPolarHBondContact O-CG1 2.98Å; G87-I91 PolarHBondContact O-N 3.23Å
88	M	86	Confident	82.3	Confident	88 Å²	88	86.9 Å²	86.9	43%	0.433	51%	0.514	S	S	.	.	H	α-helix	trans	-63.3	-39.6	174.5	-82.3	-70	-68.7	0	0	112.5	F84 A85 I91 L92	F84-M88 HydrophobicContact CD1-CG 4.19Å; F84-M88 HydrophobicContact CE1-CG 3.92Å; F84-M88 WeakPolarHBondContact O-CB 3.43Å; F84-M88 WeakPolarHBondContact O-CG 3.33Å; F84-M88 PolarHBondContact O-N 3.33Å; A85-M88 PolarHBondContact O-N 3.49Å; M88-I91 PolarHBondContact O-N 2.93Å; M88-L92 HydrophobicContact CE-CD1 4.41Å; M88-L92 WeakPolarHBondContact O-CB 2.91Å; M88-L92 WeakPolarHBondContact O-CG 3.42Å; M88-L92 PolarHBondContact O-N 3.36Å
89	C	85.8	Confident	82	Confident	89 Å²	89	88.1 Å²	88.1	60%	0.601	51%	0.514	S	S	*	.	H	α-helix	trans	-65.9	-38.4	175.1	-68.9	0	0	0	0	112.1	A85 A86 G87 G93	A85-C89 WeakPolarHBondContact O-CB 3.39Å; A85-C89 PolarHBondContact O-N 3.27Å; A85-C89 PolarHBondContact O-SG 3.24Å; A86-C89 PolarHBondContact O-N 2.98Å; G87-C89 PolarHBondContact O-N 3.47Å; C89-G93 PolarHBondContact O-N 2.8Å
90	L	87.6	Confident	81.4	Confident	123 Å²	123	93.2 Å²	93.2	64%	0.644	53%	0.529	S	S	*	.	H	α-helix	trans	-66.4	-41.5	174.7	-82.6	164.5	0	0	0	111.9	A86 G87 S94	A86-L90 PolarHBondContact O-N 2.84Å; G87-L90 PolarHBondContact O-N 2.88Å; L90-S94 VanDerWaalsContact O-CB 3.25Å; L90-S94 WeakPolarHBondContact O-CB 3.49Å; L90-S94 PolarHBondContact O-N 3.12Å; L90-S94 PolarHBondContact O-OG 3.35Å
91	I	87.4	Confident	80.8	Confident	90 Å²	90	95.2 Å²	95.2	46%	0.462	53%	0.532	S	S	.	.	H	α-helix	trans	-67.3	-46.4	177.3	-67.2	166.3	0	0	0	110.4	G87 M88 G93 S94 M95	G87-I91 VanDerWaalsContact O-CG1 3.28Å; G87-I91 WeakPolarHBondContact O-CG1 2.98Å; G87-I91 PolarHBondContact O-N 3.23Å; M88-I91 PolarHBondContact O-N 2.93Å; I91-G93 PolarHBondContact O-N 3.11Å; I91-S94 PolarHBondContact O-N 3.02Å; I91-M95 HydrophobicContact CG2-CE 3.87Å; I91-M95 HydrophobicContact CG2-CG 4.45Å; I91-M95 HydrophobicContact CG2-SD 4.25Å; I91-M95 WeakPolarHBondContact O-CB 3.42Å; I91-M95 WeakPolarHBondContact O-CG 3.44Å; I91-M95 PolarHBondContact O-N 3.12Å
92	L	85.8	Confident	79.7	Confident	96 Å²	96	97.3 Å²	97.3	50%	0.503	54%	0.543	S	S	.	.	H	α-helix	trans	-62.9	-41.5	175.8	-81.5	160.7	0	0	0	111.9	M88 S94 M95 L96	M88-L92 HydrophobicContact CE-CD1 4.41Å; M88-L92 WeakPolarHBondContact O-CB 2.91Å; M88-L92 WeakPolarHBondContact O-CG 3.42Å; M88-L92 PolarHBondContact O-N 3.36Å; L92-S94 VanDerWaalsContact C-N 3.35Å; L92-M95 PolarHBondContact O-N 3.15Å; L92-L96 VanDerWaalsContact O-CB 3.32Å; L92-L96 WeakPolarHBondContact O-CB 3.34Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 2.69Å
93	G	86.9	Confident	78.2	Confident	39 Å²	39	97.2 Å²	97.2	40%	0.402	54%	0.543	S	S	.	.	H	α-helix	trans	-63	-40	174	0	0	0	0	0	112.4	C89 I91 L96 A97	C89-G93 PolarHBondContact O-N 2.8Å; I91-G93 PolarHBondContact O-N 3.11Å; G93-L96 PolarHBondContact O-N 2.66Å; G93-A97 VanDerWaalsContact O-CB 3.28Å; G93-A97 WeakPolarHBondContact O-CB 3.29Å; G93-A97 PolarHBondContact O-N 3.49Å
94	S	82.8	Confident	76.4	Confident	64 Å²	64	97.1 Å²	97.1	45%	0.448	54%	0.539	S	S	.	.	H	α-helix	trans	-70.5	-38.9	176.7	-57.3	0	0	0	0	112	L90 I91 L92 A97 L98	L90-S94 VanDerWaalsContact O-CB 3.25Å; L90-S94 WeakPolarHBondContact O-CB 3.49Å; L90-S94 PolarHBondContact O-N 3.12Å; L90-S94 PolarHBondContact O-OG 3.35Å; I91-S94 PolarHBondContact O-N 3.02Å; L92-S94 VanDerWaalsContact C-N 3.35Å; S94-A97 PolarHBondContact O-N 3Å; S94-L98 VanDerWaalsContact O-CB 3.29Å; S94-L98 WeakPolarHBondContact O-CB 3.09Å; S94-L98 WeakPolarHBondContact O-CD1 3.42Å; S94-L98 VanDerWaalsContact O-CG 3.31Å; S94-L98 WeakPolarHBondContact O-CG 3.39Å; S94-L98 PolarHBondContact O-N 3.07Å
95	M	82.7	Confident	74.7	Confident	120 Å²	120	94.3 Å²	94.3	59%	0.591	53%	0.531	S	S	*	.	H	α-helix	trans	-67.8	-38.1	173.9	-74.2	-174.7	177.8	0	0	111.9	I91 L92 K99	I91-M95 HydrophobicContact CG2-CE 3.87Å; I91-M95 HydrophobicContact CG2-CG 4.45Å; I91-M95 HydrophobicContact CG2-SD 4.25Å; I91-M95 WeakPolarHBondContact O-CB 3.42Å; I91-M95 WeakPolarHBondContact O-CG 3.44Å; I91-M95 PolarHBondContact O-N 3.12Å; L92-M95 PolarHBondContact O-N 3.15Å; M95-K99 VanDerWaalsContact O-CB 3.25Å; M95-K99 WeakPolarHBondContact O-CB 3.35Å; M95-K99 PolarHBondContact O-N 3.07Å
96	L	78.6	Confident	73.1	Confident	118 Å²	118	96 Å²	96	62%	0.618	54%	0.544	S	S	*	.	H	α-helix	trans	-66.6	-41.9	172.3	-85	159.2	0	0	0	111.6	L92 G93 K99 Y100	L92-L96 VanDerWaalsContact O-CB 3.32Å; L92-L96 WeakPolarHBondContact O-CB 3.34Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 2.69Å; G93-L96 PolarHBondContact O-N 2.66Å; L96-K99 PolarHBondContact O-N 3Å; L96-Y100 VanDerWaalsContact O-CB 3.26Å; L96-Y100 WeakPolarHBondContact O-CB 3.46Å; L96-Y100 PolarHBondContact O-N 3.37Å
97	A	76.2	Confident	71.4	Confident	46 Å²	46	99.5 Å²	99.5	38%	0.38	56%	0.556	S	S	.	*	H	α-helix	trans	-64.6	-43.7	174.7	0	0	0	0	0	111.6	G93 S94 K99 Y100 I101	G93-A97 VanDerWaalsContact O-CB 3.28Å; G93-A97 WeakPolarHBondContact O-CB 3.29Å; G93-A97 PolarHBondContact O-N 3.49Å; S94-A97 PolarHBondContact O-N 3Å; A97-K99 VanDerWaalsContact C-N 3.35Å; A97-K99 PolarHBondContact O-N 3.45Å; A97-Y100 PolarHBondContact O-N 2.82Å; A97-I101 WeakPolarHBondContact O-CB 3.36Å; A97-I101 WeakPolarHBondContact O-CD1 3.35Å; A97-I101 WeakPolarHBondContact O-CG1 3.29Å; A97-I101 PolarHBondContact O-N 3.09Å
98	L	74.4	Confident	69.6	Low	116 Å²	116	101.5 Å²	101.5	61%	0.607	57%	0.565	S	S	*	*	H	α-helix	trans	-64.7	-37.2	174.9	-78.9	162.3	0	0	0	112	S94 S102	S94-L98 VanDerWaalsContact O-CB 3.29Å; S94-L98 WeakPolarHBondContact O-CB 3.09Å; S94-L98 WeakPolarHBondContact O-CD1 3.42Å; S94-L98 VanDerWaalsContact O-CG 3.31Å; S94-L98 WeakPolarHBondContact O-CG 3.39Å; S94-L98 PolarHBondContact O-N 3.07Å; L98-S102 WeakPolarHBondContact O-CB 3.35Å; L98-S102 PolarHBondContact O-N 3.16Å
99	K	70.3	Confident	68.2	Low	142 Å²	142	102.6 Å²	102.6	62%	0.617	57%	0.567	S	S	*	*	H	α-helix	trans	-69	-36.6	173.1	-168.1	174.7	-177.4	178.2	0	111.9	M95 L96 A97 L103	M95-K99 VanDerWaalsContact O-CB 3.25Å; M95-K99 WeakPolarHBondContact O-CB 3.35Å; M95-K99 PolarHBondContact O-N 3.07Å; L96-K99 PolarHBondContact O-N 3Å; A97-K99 VanDerWaalsContact C-N 3.35Å; A97-K99 PolarHBondContact O-N 3.45Å; K99-L103 HydrophobicContact CG-CD1 4.13Å; K99-L103 VanDerWaalsContact O-CB 3.29Å; K99-L103 WeakPolarHBondContact O-CB 3.27Å; K99-L103 WeakPolarHBondContact O-CD1 3.39Å; K99-L103 WeakPolarHBondContact O-CG 3.14Å; K99-L103 PolarHBondContact O-N 2.82Å
100	Y	65.6	Low	66.9	Low	190 Å²	190	105.1 Å²	105.1	75%	0.745	57%	0.57	S	S	*	*	H	α-helix	trans	-70.8	-37.1	176	-158.7	-89	0	0	0	112	L96 A97 L103 D104	L96-Y100 VanDerWaalsContact O-CB 3.26Å; L96-Y100 WeakPolarHBondContact O-CB 3.46Å; L96-Y100 PolarHBondContact O-N 3.37Å; A97-Y100 PolarHBondContact O-N 2.82Å; Y100-L103 PolarHBondContact O-N 3.4Å; Y100-D104 PolarHBondContact O-N 2.95Å
101	I	63.4	Low	66	Low	121 Å²	121	103.7 Å²	103.7	62%	0.621	56%	0.563	S	S	*	*	H	α-helix	trans	-74.1	-35.2	174.8	-65.5	163.3	0	0	0	110.8	A97 L103 D104	A97-I101 WeakPolarHBondContact O-CB 3.36Å; A97-I101 WeakPolarHBondContact O-CD1 3.35Å; A97-I101 WeakPolarHBondContact O-CG1 3.29Å; A97-I101 PolarHBondContact O-N 3.09Å; I101-L103 VanDerWaalsContact C-N 3.3Å; I101-L103 PolarHBondContact O-N 3Å; I101-D104 PolarHBondContact O-N 2.97Å
102	S	56.5	Low	65.4	Low	103 Å²	103	102.1 Å²	102.1	72%	0.72	56%	0.56	S	S	*	*	H	α-helix	trans	-74.7	-16.6	174.6	-177.9	0	0	0	0	113.6	L98	L98-S102 WeakPolarHBondContact O-CB 3.35Å; L98-S102 PolarHBondContact O-N 3.16Å
103	L	50.2	Low	64.9	Low	115 Å²	115	103.8 Å²	103.8	60%	0.602	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-0.4	172.3	-79.3	165.1	0	0	0	112.6	K99 Y100 I101 D105	K99-L103 HydrophobicContact CG-CD1 4.13Å; K99-L103 VanDerWaalsContact O-CB 3.29Å; K99-L103 WeakPolarHBondContact O-CB 3.27Å; K99-L103 WeakPolarHBondContact O-CD1 3.39Å; K99-L103 WeakPolarHBondContact O-CG 3.14Å; K99-L103 PolarHBondContact O-N 2.82Å; Y100-L103 PolarHBondContact O-N 3.4Å; I101-L103 VanDerWaalsContact C-N 3.3Å; I101-L103 PolarHBondContact O-N 3Å; L103-D105 PolarHBondContact O-N 2.69Å
104	D	47.6	Very low	64.5	Low	97 Å²	97	105.2 Å²	105.2	52%	0.519	56%	0.561	S	S	.	*			trans	-79.7	68.3	173.5	-148.6	34	0	0	0	109	Y100 I101 A106 K109	Y100-D104 PolarHBondContact O-N 2.95Å; I101-D104 PolarHBondContact O-N 2.97Å; D104-A106 PolarHBondContact O-N 2.8Å; D104-K109 IonicContact OD2-NZ 3.72Å; D104-K109 PolarHBondContact OD2-NZ 2.95Å
105	D	46.9	Very low	64.6	Low	93 Å²	93	108.7 Å²	108.7	50%	0.497	57%	0.568	S	S	.	*			trans	-43.9	122.3	172.2	-96.2	-31.6	0	0	0	111.3	L103 D107 C108	L103-D105 PolarHBondContact O-N 2.69Å; D105-D107 PolarHBondContact O-N 3.32Å; D105-C108 HydrophobicContact CB-CB 3.69Å; D105-C108 PolarHBondContact O-N 2.98Å; D105-C108 VanDerWaalsContact O-N 3.17Å
106	A	48.9	Very low	64.7	Low	85 Å²	85	111.1 Å²	111.1	70%	0.702	57%	0.57	S	S	*	*	H	α-helix	trans	-57.6	-30.4	164.6	0	0	0	0	0	111.5	D104	D104-A106 PolarHBondContact O-N 2.8Å
107	D	47.7	Very low	65.1	Low	127 Å²	127	105.6 Å²	105.6	68%	0.679	54%	0.542	S	S	*	.	H	α-helix	trans	-68.5	-32.4	176.1	-88.6	-20.7	0	0	0	113.5	D105 D111	D105-D107 PolarHBondContact O-N 3.32Å; D107-D111 PolarHBondContact O-N 3.38Å
108	C	50.4	Low	65.7	Low	69 Å²	69	104.2 Å²	104.2	47%	0.466	53%	0.528	S	S	.	.	H	α-helix	trans	-72.5	-32	-179.8	-173.8	0	0	0	0	112.2	D105 C112	D105-C108 HydrophobicContact CB-CB 3.69Å; D105-C108 PolarHBondContact O-N 2.98Å; D105-C108 VanDerWaalsContact O-N 3.17Å; C108-C112 WeakPolarHBondContact O-CB 3.48Å; C108-C112 PolarHBondContact O-N 2.9Å; C108-C112 PolarHBondContact O-SG 3.22Å
109	K	56.2	Low	66.4	Low	112 Å²	112	100.7 Å²	100.7	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-68.5	-40.2	177.9	-80.2	174	-177.4	152.4	0	112.2	D104 Q113	D104-K109 IonicContact OD2-NZ 3.72Å; D104-K109 PolarHBondContact OD2-NZ 2.95Å; K109-Q113 WeakPolarHBondContact O-CB 3.3Å; K109-Q113 VanDerWaalsContact O-CG 3.25Å; K109-Q113 WeakPolarHBondContact O-CG 3.47Å; K109-Q113 PolarHBondContact O-N 3.2Å
110	Q	59.3	Low	67.4	Low	141 Å²	141	101 Å²	101	66%	0.659	51%	0.506	S	S	*	.	H	α-helix	trans	-72.6	-44.2	-179.2	-165.7	169.7	0.2	0	0	111.9	C112 Q113 H114	Q110-C112 PolarHBondContact O-N 3Å; Q110-Q113 PolarHBondContact O-N 3.39Å; Q110-H114 WeakPolarHBondContact O-CB 3.37Å; Q110-H114 PolarHBondContact O-N 2.9Å
111	D	68.6	Low	68.6	Low	93 Å²	93	92 Å²	92	50%	0.497	47%	0.471	S	S	.	.	H	α-helix	trans	-67.9	-34.8	177.3	-162.6	41.6	0	0	0	111.8	D107 K115 R718	D107-D111 PolarHBondContact O-N 3.38Å; D111-K115 VanDerWaalsContact O-CB 3.25Å; D111-K115 WeakPolarHBondContact O-CB 3.39Å; D111-K115 PolarHBondContact O-N 3.08Å; D111-R718 IonicContact OD1-NH1 3.9Å
112	C	74.8	Confident	70.1	Confident	58 Å²	58	86.2 Å²	86.2	39%	0.392	44%	0.441	S	S	.	.	H	α-helix	trans	-65.5	-41.6	171.9	-79.8	0	0	0	0	113.2	C108 Q110 R116	C108-C112 WeakPolarHBondContact O-CB 3.48Å; C108-C112 PolarHBondContact O-N 2.9Å; C108-C112 PolarHBondContact O-SG 3.22Å; Q110-C112 PolarHBondContact O-N 3Å; C112-R116 WeakPolarHBondContact O-CB 3.24Å; C112-R116 VanDerWaalsContact O-CG 3.24Å; C112-R116 WeakPolarHBondContact O-CG 3.25Å; C112-R116 PolarHBondContact O-N 3.37Å
113	Q	74.9	Confident	71.8	Confident	130 Å²	130	89.1 Å²	89.1	61%	0.607	44%	0.437	S	S	*	.	H	α-helix	trans	-65.9	-44.1	177.8	-77.9	179.1	2.3	0	0	111.4	K109 Q110 R116 S117	K109-Q113 WeakPolarHBondContact O-CB 3.3Å; K109-Q113 VanDerWaalsContact O-CG 3.25Å; K109-Q113 WeakPolarHBondContact O-CG 3.47Å; K109-Q113 PolarHBondContact O-N 3.2Å; Q110-Q113 PolarHBondContact O-N 3.39Å; Q113-R116 WeakPolarHBondContact O-CB 3.49Å; Q113-R116 PolarHBondContact O-N 2.93Å; Q113-S117 PolarHBondContact O-N 2.99Å
114	H	79.4	Confident	73.6	Confident	69 Å²	69	86 Å²	86	32%	0.319	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-45.2	175.8	-172.4	67.8	0	0	0	111.7	Q110 R116 S117 L118	Q110-H114 WeakPolarHBondContact O-CB 3.37Å; Q110-H114 PolarHBondContact O-N 2.9Å; H114-R116 VanDerWaalsContact C-N 3.27Å; H114-R116 PolarHBondContact O-N 3.44Å; H114-S117 PolarHBondContact O-N 2.97Å; H114-S117 VanDerWaalsContact O-N 3.1Å; H114-S117 PolarHBondContact O-OG 3.04Å; H114-L118 WeakPolarHBondContact O-CG 3.2Å; H114-L118 PolarHBondContact O-N 3.37Å
115	K	84	Confident	75.8	Confident	137 Å²	137	81.5 Å²	81.5	60%	0.596	39%	0.394	S	S	*	.	H	α-helix	trans	-60	-37.1	174.1	-170.1	172.7	-175.4	173.1	0	112.3	D111 M119	D111-K115 VanDerWaalsContact O-CB 3.25Å; D111-K115 WeakPolarHBondContact O-CB 3.39Å; D111-K115 PolarHBondContact O-N 3.08Å; K115-M119 WeakPolarHBondContact O-CB 3.35Å; K115-M119 VanDerWaalsContact O-CG 3.27Å; K115-M119 WeakPolarHBondContact O-CG 3.15Å; K115-M119 PolarHBondContact O-N 3.36Å
116	R	85.6	Confident	78.1	Confident	171 Å²	171	81.9 Å²	81.9	65%	0.645	39%	0.393	S	S	*	.	H	α-helix	trans	-68.3	-34.9	174.8	-75.8	173.5	-178.1	-172.3	2.6	112.7	C112 Q113 H114 R120	C112-R116 WeakPolarHBondContact O-CB 3.24Å; C112-R116 VanDerWaalsContact O-CG 3.24Å; C112-R116 WeakPolarHBondContact O-CG 3.25Å; C112-R116 PolarHBondContact O-N 3.37Å; Q113-R116 WeakPolarHBondContact O-CB 3.49Å; Q113-R116 PolarHBondContact O-N 2.93Å; H114-R116 VanDerWaalsContact C-N 3.27Å; H114-R116 PolarHBondContact O-N 3.44Å; R116-R120 WeakPolarHBondContact O-CG 3.4Å; R116-R120 PolarHBondContact O-N 3.23Å; R116-R120 VanDerWaalsContact O-N 3.12Å; R116-R120 PolarHBondContact O-NE 2.84Å
117	S	85.7	Confident	80.2	Confident	3 Å²	3	79.7 Å²	79.7	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-69.4	-45.1	175.4	70.6	0	0	0	0	110.9	Q113 H114 M119 R120 A121 E616	Q113-S117 PolarHBondContact O-N 2.99Å; H114-S117 PolarHBondContact O-N 2.97Å; H114-S117 VanDerWaalsContact O-N 3.1Å; H114-S117 PolarHBondContact O-OG 3.04Å; S117-M119 VanDerWaalsContact C-N 3.34Å; S117-M119 PolarHBondContact O-N 3.38Å; S117-R120 WeakPolarHBondContact O-CA 3.42Å; S117-R120 WeakPolarHBondContact O-CB 3.43Å; S117-R120 PolarHBondContact O-N 3.46Å; S117-A121 PolarHBondContact O-N 2.91Å; S117-E616 VanDerWaalsContact CB-O 3.31Å; S117-E616 WeakPolarHBondContact CB-O 3.48Å; S117-E616 PolarHBondContact OG-O 2.97Å
118	L	88.8	Confident	82.5	Confident	17 Å²	17	73.8 Å²	73.8	9%	0.089	34%	0.343	C	S	.	.	H	α-helix	trans	-59.5	-42	175.5	-65.2	176.6	0	0	0	112.4	H114 R120 A121 T122 P618 L720	H114-L118 WeakPolarHBondContact O-CG 3.2Å; H114-L118 PolarHBondContact O-N 3.37Å; L118-R120 VanDerWaalsContact C-N 3.33Å; L118-R120 PolarHBondContact O-N 3.15Å; L118-A121 PolarHBondContact O-N 3.09Å; L118-T122 WeakPolarHBondContact O-CB 3.46Å; L118-T122 PolarHBondContact O-N 2.71Å; L118-T122 PolarHBondContact O-OG1 3.27Å; L118-P618 HydrophobicContact CD2-CG 3.79Å; L118-L720 HydrophobicContact CB-CD2 4.29Å; L118-L720 HydrophobicContact CD2-CD2 3.86Å
119	M	90.6	Very high	84.7	Confident	41 Å²	41	71.2 Å²	71.2	20%	0.202	33%	0.325	C	S	.	.	H	α-helix	trans	-66.1	-33.8	175	-74.8	-59.8	-51.7	0	0	112.8	K115 S117 R123 P721	K115-M119 WeakPolarHBondContact O-CB 3.35Å; K115-M119 VanDerWaalsContact O-CG 3.27Å; K115-M119 WeakPolarHBondContact O-CG 3.15Å; K115-M119 PolarHBondContact O-N 3.36Å; S117-M119 VanDerWaalsContact C-N 3.34Å; S117-M119 PolarHBondContact O-N 3.38Å; M119-R123 VanDerWaalsContact O-CG 3.32Å; M119-R123 WeakPolarHBondContact O-CG 3.32Å; M119-R123 PolarHBondContact O-N 3.42Å; M119-R123 VanDerWaalsContact O-N 3.08Å; M119-P721 HydrophobicContact SD-CB 3.81Å; M119-P721 HydrophobicContact SD-CG 4.01Å
120	R	90.4	Very high	86.6	Confident	149 Å²	149	66.2 Å²	66.2	56%	0.562	30%	0.303	S	S	*	.	H	α-helix	trans	-67.6	-48.4	174.1	-81.4	-178.1	-88	178	-3.9	111.1	R116 S117 L118 T122 R123 F124 F617	R116-R120 WeakPolarHBondContact O-CG 3.4Å; R116-R120 PolarHBondContact O-N 3.23Å; R116-R120 VanDerWaalsContact O-N 3.12Å; R116-R120 PolarHBondContact O-NE 2.84Å; S117-R120 WeakPolarHBondContact O-CA 3.42Å; S117-R120 WeakPolarHBondContact O-CB 3.43Å; S117-R120 PolarHBondContact O-N 3.46Å; L118-R120 VanDerWaalsContact C-N 3.33Å; L118-R120 PolarHBondContact O-N 3.15Å; R120-T122 VanDerWaalsContact C-N 3.31Å; R120-T122 PolarHBondContact O-N 2.58Å; R120-R123 PolarHBondContact O-N 3.05Å; R120-F124 WeakPolarHBondContact O-CB 3.23Å; R120-F124 PolarHBondContact O-N 2.64Å; R120-F617 HydrophobicContact CB-CE1 4.42Å
121	A	91.4	Very high	88.3	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-56.5	-46	174.9	0	0	0	0	0	111.6	S117 L118 R123 F124 V125 F617 L621 L720	S117-A121 PolarHBondContact O-N 2.91Å; L118-A121 PolarHBondContact O-N 3.09Å; A121-R123 PolarHBondContact O-N 3.25Å; A121-F124 PolarHBondContact O-N 3.23Å; A121-V125 WeakPolarHBondContact O-CG2 3.32Å; A121-V125 PolarHBondContact O-N 2.88Å; A121-F617 HydrophobicContact CB-CD1 4.11Å; A121-F617 HydrophobicContact CB-CD2 4.11Å; A121-F617 HydrophobicContact CB-CE1 4.18Å; A121-F617 HydrophobicContact CB-CE2 4.18Å; A121-F617 HydrophobicContact CB-CG 4.07Å; A121-F617 HydrophobicContact CB-CZ 4.22Å; A121-L621 HydrophobicContact CB-CD1 3.79Å; A121-L720 HydrophobicContact CB-CD2 4.21Å
122	T	93.7	Very high	89.6	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-55.3	-54.7	175.7	-61.6	0	0	0	0	111.8	L118 R120 F124 V125 Q126 P721 L723	L118-T122 WeakPolarHBondContact O-CB 3.46Å; L118-T122 PolarHBondContact O-N 2.71Å; L118-T122 PolarHBondContact O-OG1 3.27Å; R120-T122 VanDerWaalsContact C-N 3.31Å; R120-T122 PolarHBondContact O-N 2.58Å; T122-F124 VanDerWaalsContact C-N 3.27Å; T122-F124 PolarHBondContact O-N 3.16Å; T122-V125 PolarHBondContact O-N 3.44Å; T122-Q126 WeakPolarHBondContact O-CB 3.46Å; T122-Q126 PolarHBondContact O-N 2.79Å; T122-P721 WeakPolarHBondContact CG2-O 3.45Å; T122-P721 PolarHBondContact OG1-O 3.47Å; T122-L723 HydrophobicContact CG2-CD1 3.92Å; T122-L723 HydrophobicContact CG2-CG 3.92Å
123	R	92.1	Very high	90.6	Very high	164 Å²	164	65.6 Å²	65.6	62%	0.619	30%	0.303	S	S	*	.	H	α-helix	trans	-60.5	-40.6	-177.4	-75.3	173.8	-176.9	158.9	0.1	111.6	M119 R120 A121 A127	M119-R123 VanDerWaalsContact O-CG 3.32Å; M119-R123 WeakPolarHBondContact O-CG 3.32Å; M119-R123 PolarHBondContact O-N 3.42Å; M119-R123 VanDerWaalsContact O-N 3.08Å; R120-R123 PolarHBondContact O-N 3.05Å; A121-R123 PolarHBondContact O-N 3.25Å; R123-A127 VanDerWaalsContact O-CB 3.25Å; R123-A127 WeakPolarHBondContact O-CB 3.28Å; R123-A127 PolarHBondContact O-N 3.3Å
124	F	88.9	Confident	91.6	Very high	50 Å²	50	65.4 Å²	65.4	22%	0.219	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-57.1	178.3	175.9	-101.9	0	0	0	111.3	R120 A121 T122 Q126 A127 N128 I162 T611	R120-F124 WeakPolarHBondContact O-CB 3.23Å; R120-F124 PolarHBondContact O-N 2.64Å; A121-F124 PolarHBondContact O-N 3.23Å; T122-F124 VanDerWaalsContact C-N 3.27Å; T122-F124 PolarHBondContact O-N 3.16Å; F124-Q126 PolarHBondContact O-N 2.82Å; F124-A127 PolarHBondContact O-N 2.92Å; F124-N128 PolarHBondContact O-ND2 3.41Å; F124-I162 HydrophobicContact CE2-CD1 4.43Å; F124-I162 HydrophobicContact CZ-CD1 3.86Å; F124-I162 HydrophobicContact CZ-CG2 4.44Å; F124-T611 HydrophobicContact CD2-CG2 3.87Å; F124-T611 HydrophobicContact CE1-CG2 4Å; F124-T611 HydrophobicContact CE2-CG2 3.16Å; F124-T611 VanDerWaalsContact CZ-CB 3.42Å; F124-T611 HydrophobicContact CZ-CG2 3.24Å
125	V	94.1	Very high	92.4	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-47.1	-178.9	173.1	0	0	0	0	110.9	A121 T122 A127 N128 I129 L621 L723 L730 I733 Q737	A121-V125 WeakPolarHBondContact O-CG2 3.32Å; A121-V125 PolarHBondContact O-N 2.88Å; T122-V125 PolarHBondContact O-N 3.44Å; V125-A127 VanDerWaalsContact C-N 3.3Å; V125-A127 PolarHBondContact O-N 3.24Å; V125-N128 PolarHBondContact O-N 3.35Å; V125-I129 HydrophobicContact CG1-CD1 3.85Å; V125-I129 WeakPolarHBondContact O-CG1 3.38Å; V125-L621 HydrophobicContact CG2-CD1 4.05Å; V125-L621 HydrophobicContact CG2-CD2 3.9Å; V125-L723 HydrophobicContact CB-CD1 4.16Å; V125-L723 HydrophobicContact CG1-CD1 4.15Å; V125-L730 HydrophobicContact CG1-CD2 3.92Å; V125-I733 HydrophobicContact CG1-CG2 3.81Å; V125-Q737 PolarHBondContact O-NE2 2.75Å
126	Q	94.5	Very high	93.1	Very high	101 Å²	101	57.7 Å²	57.7	47%	0.472	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-37.5	-177.7	-172.4	176.8	4.6	0	0	112.5	T122 F124 N128 L723	T122-Q126 WeakPolarHBondContact O-CB 3.46Å; T122-Q126 PolarHBondContact O-N 2.79Å; F124-Q126 PolarHBondContact O-N 2.82Å; Q126-N128 VanDerWaalsContact C-N 3.28Å; Q126-N128 PolarHBondContact O-N 2.82Å; Q126-L723 HydrophobicContact CB-CD2 3.88Å; Q126-L723 HydrophobicContact CG-CD2 4.11Å
127	A	94.1	Very high	93.6	Very high	39 Å²	39	53.3 Å²	53.3	32%	0.322	26%	0.259	S	S	.	.	H	α-helix	trans	-62.9	-38.8	-179	0	0	0	0	0	110.6	R123 F124 V125 R150	R123-A127 VanDerWaalsContact O-CB 3.25Å; R123-A127 WeakPolarHBondContact O-CB 3.28Å; R123-A127 PolarHBondContact O-N 3.3Å; F124-A127 PolarHBondContact O-N 2.92Å; V125-A127 VanDerWaalsContact C-N 3.3Å; V125-A127 PolarHBondContact O-N 3.24Å; A127-R150 PolarHBondContact O-NH1 2.93Å; A127-R150 PolarHBondContact O-NH2 3.3Å
128	N	95.7	Very high	94.2	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-80.4	-22.5	-171.9	-61.5	-22.8	0	0	0	113.5	F124 V125 Q126 A143 C144 G145 G146 W147 R150 Q737	F124-N128 PolarHBondContact O-ND2 3.41Å; V125-N128 PolarHBondContact O-N 3.35Å; Q126-N128 VanDerWaalsContact C-N 3.28Å; Q126-N128 PolarHBondContact O-N 2.82Å; N128-A143 CarbonylContact C-O 2.95Å; N128-A143 VanDerWaalsContact C-O 3.23Å; N128-A143 CarbonylContact O-C 3.56Å; N128-C144 CarbonylContact O-C 3.59Å; N128-C144 VanDerWaalsContact O-C 3.23Å; N128-C144 WeakPolarHBondContact O-CA 3.21Å; N128-G145 PolarHBondContact O-N 3.47Å; N128-G146 VanDerWaalsContact O-CA 3.28Å; N128-G146 WeakPolarHBondContact O-CA 3.43Å; N128-G146 PolarHBondContact O-N 3.45Å; N128-W147 HydrophobicContact CB-CB 4.33Å; N128-W147 PolarHBondContact O-N 2.96Å; N128-R150 PolarHBondContact OD1-NH2 3.41Å; N128-R150 VanDerWaalsContact OD1-NH2 3.09Å; N128-Q737 HydrophobicContact CB-CG 4.11Å; N128-Q737 PolarHBondContact ND2-OE1 3.43Å
129	I	96.3	Very high	94.6	Very high	15 Å²	15	52.8 Å²	52.8	8%	0.077	26%	0.256	C	S	.	.			trans	-72.4	137.3	-177.9	-64.2	169.2	0	0	0	111.9	V125 I131 F142 Y725 I733	V125-I129 HydrophobicContact CG1-CD1 3.85Å; V125-I129 WeakPolarHBondContact O-CG1 3.38Å; I129-I131 HydrophobicContact CG2-CG2 3.95Å; I129-F142 CarbonylContact C-O 3.58Å; I129-F142 VanDerWaalsContact CA-O 3.29Å; I129-F142 WeakPolarHBondContact CA-O 3.36Å; I129-F142 HydrophobicContact CG2-CD2 4.2Å; I129-F142 HydrophobicContact CG2-CE2 3.75Å; I129-F142 HydrophobicContact CG2-CZ 3.95Å; I129-Y725 HydrophobicContact CD1-CD2 4.08Å; I129-Y725 HydrophobicContact CD1-CE2 3.5Å; I129-I733 HydrophobicContact CD1-CD1 4.08Å; I129-I733 HydrophobicContact CD1-CG2 4.04Å; I129-I733 HydrophobicContact CG1-CG2 4.16Å
130	D	96.2	Very high	95	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.043	25%	0.247	C	C	.	.			trans	-103.9	105.5	163.3	-174	1.1	0	0	0	111.5	T132 I133 S141 F142 R149	D130-T132 VanDerWaalsContact CG-OG1 3.22Å; D130-T132 PolarHBondContact O-N 2.98Å; D130-T132 WeakPolarHBondContact OD1-CB 3.06Å; D130-T132 PolarHBondContact OD1-N 3.21Å; D130-T132 PolarHBondContact OD1-OG1 3.38Å; D130-T132 PolarHBondContact OD2-OG1 3.36Å; D130-I133 HydrophobicContact CB-CG1 4.38Å; D130-I133 PolarHBondContact O-N 2.78Å; D130-S141 WeakPolarHBondContact CB-O 3.23Å; D130-F142 PolarHBondContact N-O 3.38Å; D130-F142 WeakPolarHBondContact O-CD2 3.49Å; D130-R149 IonicContact OD1-NH2 2.76Å; D130-R149 PolarHBondContact OD1-NH2 2.63Å; D130-R149 VanDerWaalsContact OD1-NH2 3.14Å; D130-R149 IonicContact OD2-CZ 2.66Å; D130-R149 IonicContact OD2-NH1 2.73Å; D130-R149 PolarHBondContact OD2-NH1 2.93Å; D130-R149 IonicContact OD2-NH2 3.19Å; D130-R149 PolarHBondContact OD2-NH2 2.98Å
131	I	94.7	Very high	95.3	Very high	131 Å²	131	43.9 Å²	43.9	67%	0.672	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-8	-179.7	63.6	169	0	0	0	114.2	I129 I133	I129-I131 HydrophobicContact CG2-CG2 3.95Å; I131-I133 VanDerWaalsContact C-N 3.32Å
132	T	95.2	Very high	95.6	Very high	112 Å²	112	44.1 Å²	44.1	69%	0.687	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-18.4	178.1	68.8	0	0	0	0	112.4	D130	D130-T132 VanDerWaalsContact CG-OG1 3.22Å; D130-T132 PolarHBondContact O-N 2.98Å; D130-T132 WeakPolarHBondContact OD1-CB 3.06Å; D130-T132 PolarHBondContact OD1-N 3.21Å; D130-T132 PolarHBondContact OD1-OG1 3.38Å; D130-T132 PolarHBondContact OD2-OG1 3.36Å
133	I	96.1	Very high	95.8	Very high	35 Å²	35	44.1 Å²	44.1	18%	0.179	22%	0.221	C	C	.	.	S	Bend	trans	-97	136.8	178.5	-54.3	-58.8	0	0	0	109.6	D130 I131 D138 F142	D130-I133 HydrophobicContact CB-CG1 4.38Å; D130-I133 PolarHBondContact O-N 2.78Å; I131-I133 VanDerWaalsContact C-N 3.32Å; I133-D138 HydrophobicContact CG2-CB 4.11Å; I133-D138 WeakPolarHBondContact CG2-O 3.38Å; I133-F142 HydrophobicContact CB-CB 4.26Å; I133-F142 HydrophobicContact CG2-CB 4.2Å; I133-F142 VanDerWaalsContact O-CD2 3.31Å; I133-F142 WeakPolarHBondContact O-CD2 3.34Å
134	Q	96.1	Very high	96.1	Very high	127 Å²	127	36.3 Å²	36.3	59%	0.593	19%	0.192	S	C	*	.			trans	-80	128.7	175.8	-67.6	-174.5	1.9	0	0	110.4	C136 Q137 D138	Q134-C136 PolarHBondContact O-N 3.31Å; Q134-C136 VanDerWaalsContact O-N 3.1Å; Q134-Q137 HydrophobicContact CB-CB 4.3Å; Q134-Q137 HydrophobicContact CB-CG 3.92Å; Q134-Q137 PolarHBondContact O-N 2.79Å; Q134-D138 PolarHBondContact O-N 3.33Å
135	P	97.4	Very high	96.4	Very high	31 Å²	31	33.9 Å²	33.9	20%	0.201	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.9	-176.4	22.7	-33.5	0	0	0	113.6	F139 F142 F778 M786	P135-F139 HydrophobicContact CB-CD2 3.73Å; P135-F139 HydrophobicContact CB-CE2 4.09Å; P135-F139 WeakPolarHBondContact O-CB 3.11Å; P135-F142 HydrophobicContact CB-CB 4.5Å; P135-F142 HydrophobicContact CB-CD1 3.82Å; P135-F142 HydrophobicContact CB-CD2 4.38Å; P135-F142 HydrophobicContact CB-CE1 4.09Å; P135-F142 HydrophobicContact CB-CG 3.97Å; P135-F142 HydrophobicContact CB-CZ 4.47Å; P135-F778 HydrophobicContact CB-CD1 3.68Å; P135-F778 HydrophobicContact CB-CE1 4.04Å; P135-F778 HydrophobicContact CB-CG 4.43Å; P135-F778 HydrophobicContact CG-CD1 3.73Å; P135-F778 HydrophobicContact CG-CE1 4.31Å; P135-M786 WeakPolarHBondContact O-CG 3.48Å
136	C	97.9	Very high	96.5	Very high	12 Å²	12	34 Å²	34	8%	0.081	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.9	179.3	-59.6	0	0	0	0	114.4	Q134 C780 S784 M786	Q134-C136 PolarHBondContact O-N 3.31Å; Q134-C136 VanDerWaalsContact O-N 3.1Å; C136-C780 VanDerWaalsContact CA-SG 3.52Å; C136-C780 HydrophobicContact CB-CB 3.65Å; C136-C780 WeakPolarHBondContact CB-SG 3.44Å; C136-C780 WeakPolarHBondContact SG-CA 3.48Å; C136-C780 WeakPolarHBondContact SG-CB 3.27Å; C136-C780 CovalentContact SG-SG 2.05Å; C136-C780 PolarHBondContact SG-SG 2.91Å; C136-S784 PolarHBondContact O-OG 3Å; C136-M786 WeakPolarHBondContact O-CB 3.49Å; C136-M786 WeakPolarHBondContact O-CG 3.47Å; C136-M786 PolarHBondContact O-N 2.68Å; C136-M786 VanDerWaalsContact O-N 3.08Å
137	Q	96.9	Very high	96.5	Very high	80 Å²	80	30.3 Å²	30.3	37%	0.374	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-51	176.8	-63.6	-62.1	-24.3	0	0	110.9	Q134 P785	Q134-Q137 HydrophobicContact CB-CB 4.3Å; Q134-Q137 HydrophobicContact CB-CG 3.92Å; Q134-Q137 PolarHBondContact O-N 2.79Å; Q137-P785 VanDerWaalsContact O-CB 3.29Å; Q137-P785 WeakPolarHBondContact O-CB 3.4Å; Q137-P785 VanDerWaalsContact OE1-CG 3.29Å
138	D	97	Very high	96.5	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.043	15%	0.149	C	C	.	.			trans	-147.2	98.5	176.4	-179	-14.9	0	0	0	108.6	I133 Q134 Y140 S141 F142	I133-D138 HydrophobicContact CG2-CB 4.11Å; I133-D138 WeakPolarHBondContact CG2-O 3.38Å; Q134-D138 PolarHBondContact O-N 3.33Å; D138-Y140 VanDerWaalsContact C-N 3.32Å; D138-Y140 PolarHBondContact OD1-N 3.24Å; D138-S141 VanDerWaalsContact CG-CB 3.44Å; D138-S141 VanDerWaalsContact CG-OG 3.25Å; D138-S141 PolarHBondContact OD1-N 3.03Å; D138-S141 PolarHBondContact OD1-OG 2.94Å; D138-S141 WeakPolarHBondContact OD2-CB 3.18Å; D138-S141 PolarHBondContact OD2-OG 2.85Å; D138-F142 WeakPolarHBondContact O-CB 3.42Å; D138-F142 PolarHBondContact O-N 3.48Å; D138-F142 VanDerWaalsContact O-N 3.1Å
139	F	98.3	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-72	-29.3	-176.9	-167.9	-114.8	0	0	0	112.6	P135 F142 A143 F732 I733 A736 V764 V768 F774 F778 M786	P135-F139 HydrophobicContact CB-CD2 3.73Å; P135-F139 HydrophobicContact CB-CE2 4.09Å; P135-F139 WeakPolarHBondContact O-CB 3.11Å; F139-F142 AromaticContact CD2-CD1 3.84Å; F139-F142 HydrophobicContact CD2-CD1 3.84Å; F139-F142 HydrophobicContact CD2-CE1 4.47Å; F139-F142 AromaticContact CE2-CD1 3.68Å; F139-F142 HydrophobicContact CE2-CD1 3.68Å; F139-F142 AromaticContact CE2-CE1 3.9Å; F139-F142 HydrophobicContact CE2-CE1 3.9Å; F139-A143 VanDerWaalsContact O-CB 3.29Å; F139-A143 WeakPolarHBondContact O-CB 3.12Å; F139-A143 PolarHBondContact O-N 2.98Å; F139-F732 HydrophobicContact CE1-CB 4.01Å; F139-F732 WeakPolarHBondContact CE1-O 3.38Å; F139-F732 HydrophobicContact CZ-CB 3.77Å; F139-I733 HydrophobicContact CE2-CG1 4.5Å; F139-I733 HydrophobicContact CZ-CG1 4.09Å; F139-A736 HydrophobicContact CD1-CB 3.98Å; F139-A736 HydrophobicContact CE1-CB 3.69Å; F139-V764 HydrophobicContact CD1-CG1 4.02Å; F139-V768 HydrophobicContact CB-CG2 3.99Å; F139-V768 HydrophobicContact CD1-CB 4.41Å; F139-V768 HydrophobicContact CD1-CG1 3.94Å; F139-V768 HydrophobicContact CD1-CG2 4.01Å; F139-V768 HydrophobicContact CE1-CG1 4.23Å; F139-V768 HydrophobicContact CG-CG2 4.26Å; F139-F774 HydrophobicContact CB-CZ 4.04Å; F139-F774 AromaticContact CD1-CE2 3.84Å; F139-F774 HydrophobicContact CD1-CE2 3.84Å; F139-F774 HydrophobicContact CD1-CZ 4.21Å; F139-F774 AromaticContact CD2-CE2 3.53Å; F139-F774 HydrophobicContact CD2-CE2 3.53Å; F139-F774 AromaticContact CD2-CZ 3.51Å; F139-F774 HydrophobicContact CD2-CZ 3.51Å; F139-F774 AromaticContact CE1-CE2 3.83Å; F139-F774 HydrophobicContact CE1-CE2 3.83Å; F139-F774 AromaticContact CE2-CE2 3.55Å; F139-F774 HydrophobicContact CE2-CE2 3.55Å; F139-F774 AromaticContact CE2-CZ 3.99Å; F139-F774 HydrophobicContact CE2-CZ 3.99Å; F139-F774 AromaticContact CG-CE2 3.69Å; F139-F774 HydrophobicContact CG-CE2 3.69Å; F139-F774 AromaticContact CG-CZ 3.65Å; F139-F774 HydrophobicContact CG-CZ 3.65Å; F139-F774 AromaticContact CZ-CE2 3.7Å; F139-F774 HydrophobicContact CZ-CE2 3.7Å; F139-F778 HydrophobicContact CE2-CD1 4.44Å; F139-F778 HydrophobicContact CE2-CD2 4.5Å; F139-F778 AromaticContact CE2-CE1 3.82Å; F139-F778 HydrophobicContact CE2-CE1 3.82Å; F139-F778 AromaticContact CE2-CE2 3.89Å; F139-F778 HydrophobicContact CE2-CE2 3.89Å; F139-F778 AromaticContact CE2-CZ 3.51Å; F139-F778 HydrophobicContact CE2-CZ 3.51Å; F139-F778 HydrophobicContact CZ-CE2 4.06Å; F139-F778 AromaticContact CZ-CZ 3.84Å; F139-F778 HydrophobicContact CZ-CZ 3.84Å; F139-M786 HydrophobicContact CB-CG 4.18Å; F139-M786 HydrophobicContact CB-SD 3.9Å
140	Y	97.9	Very high	96.2	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-53	177.7	-177	-96.2	0	0	0	110.3	Y11 D138 F142 A143 C144 L148 W739 C740 M741 H761 V764	Y11-Y140 AromaticContact CD2-CD1 3.97Å; Y11-Y140 HydrophobicContact CD2-CD1 3.97Å; Y11-Y140 AromaticContact CD2-CE1 3.46Å; Y11-Y140 HydrophobicContact CD2-CE1 3.46Å; Y11-Y140 VanDerWaalsContact CD2-CE1 3.46Å; Y11-Y140 AromaticContact CE2-CE1 3.63Å; Y11-Y140 HydrophobicContact CE2-CE1 3.63Å; D138-Y140 VanDerWaalsContact C-N 3.32Å; D138-Y140 PolarHBondContact OD1-N 3.24Å; Y140-F142 VanDerWaalsContact C-N 3.28Å; Y140-F142 PolarHBondContact O-N 3.48Å; Y140-A143 PolarHBondContact O-N 3.48Å; Y140-A143 VanDerWaalsContact O-N 3.11Å; Y140-C144 HydrophobicContact CD1-CB 4.41Å; Y140-C144 HydrophobicContact CE1-CB 4.12Å; Y140-C144 HydrophobicContact CE2-CB 4.36Å; Y140-C144 VanDerWaalsContact O-CB 3.25Å; Y140-C144 WeakPolarHBondContact O-CB 3.39Å; Y140-C144 PolarHBondContact O-N 3.34Å; Y140-L148 HydrophobicContact CE1-CD1 3.87Å; Y140-W739 HydrophobicContact CE2-CB 4.32Å; Y140-W739 VanDerWaalsContact CE2-O 3.27Å; Y140-W739 WeakPolarHBondContact CE2-O 3.32Å; Y140-W739 PolarHBondContact OH-O 3.47Å; Y140-C740 WeakPolarHBondContact OH-CA 3.42Å; Y140-M741 PolarHBondContact OH-N 3.48Å; Y140-M741 PolarHBondContact OH-O 2.87Å; Y140-H761 HydrophobicContact CD1-CB 3.61Å; Y140-H761 HydrophobicContact CD2-CB 3.86Å; Y140-H761 HydrophobicContact CE1-CB 3.78Å; Y140-H761 HydrophobicContact CE2-CB 3.99Å; Y140-H761 HydrophobicContact CG-CB 3.65Å; Y140-V764 HydrophobicContact CD2-CB 3.91Å; Y140-V764 HydrophobicContact CD2-CG1 4.3Å; Y140-V764 HydrophobicContact CD2-CG2 3.78Å; Y140-V764 HydrophobicContact CE2-CG2 4.27Å
141	S	97.1	Very high	96	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.014	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-36.4	178.2	-63.9	0	0	0	0	111.7	D130 D138 G145	D130-S141 WeakPolarHBondContact CB-O 3.23Å; D138-S141 VanDerWaalsContact CG-CB 3.44Å; D138-S141 VanDerWaalsContact CG-OG 3.25Å; D138-S141 PolarHBondContact OD1-N 3.03Å; D138-S141 PolarHBondContact OD1-OG 2.94Å; D138-S141 WeakPolarHBondContact OD2-CB 3.18Å; D138-S141 PolarHBondContact OD2-OG 2.85Å; S141-G145 VanDerWaalsContact O-CA 3.23Å; S141-G145 WeakPolarHBondContact O-CA 3.41Å; S141-G145 PolarHBondContact O-N 3.34Å
142	F	97.9	Very high	95.8	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-47.6	170.7	167	-99.8	0	0	0	112.8	I129 D130 I133 P135 D138 F139 Y140 Y725 I733 F778	I129-F142 CarbonylContact C-O 3.58Å; I129-F142 VanDerWaalsContact CA-O 3.29Å; I129-F142 WeakPolarHBondContact CA-O 3.36Å; I129-F142 HydrophobicContact CG2-CD2 4.2Å; I129-F142 HydrophobicContact CG2-CE2 3.75Å; I129-F142 HydrophobicContact CG2-CZ 3.95Å; D130-F142 PolarHBondContact N-O 3.38Å; D130-F142 WeakPolarHBondContact O-CD2 3.49Å; I133-F142 HydrophobicContact CB-CB 4.26Å; I133-F142 HydrophobicContact CG2-CB 4.2Å; I133-F142 VanDerWaalsContact O-CD2 3.31Å; I133-F142 WeakPolarHBondContact O-CD2 3.34Å; P135-F142 HydrophobicContact CB-CB 4.5Å; P135-F142 HydrophobicContact CB-CD1 3.82Å; P135-F142 HydrophobicContact CB-CD2 4.38Å; P135-F142 HydrophobicContact CB-CE1 4.09Å; P135-F142 HydrophobicContact CB-CG 3.97Å; P135-F142 HydrophobicContact CB-CZ 4.47Å; D138-F142 WeakPolarHBondContact O-CB 3.42Å; D138-F142 PolarHBondContact O-N 3.48Å; D138-F142 VanDerWaalsContact O-N 3.1Å; F139-F142 AromaticContact CD2-CD1 3.84Å; F139-F142 HydrophobicContact CD2-CD1 3.84Å; F139-F142 HydrophobicContact CD2-CE1 4.47Å; F139-F142 AromaticContact CE2-CD1 3.68Å; F139-F142 HydrophobicContact CE2-CD1 3.68Å; F139-F142 AromaticContact CE2-CE1 3.9Å; F139-F142 HydrophobicContact CE2-CE1 3.9Å; Y140-F142 VanDerWaalsContact C-N 3.28Å; Y140-F142 PolarHBondContact O-N 3.48Å; F142-Y725 AromaticContact CZ-CE1 3.82Å; F142-Y725 HydrophobicContact CZ-CE1 3.82Å; F142-Y725 AromaticContact CZ-CZ 3.71Å; F142-Y725 WeakPolarHBondContact CZ-OH 3.22Å; F142-I733 HydrophobicContact CE1-CD1 4.16Å; F142-I733 HydrophobicContact CE1-CG1 4.07Å; F142-F778 HydrophobicContact CE1-CE1 4.26Å
143	A	97.8	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-80.3	-27.6	-174.4	0	0	0	0	0	113.9	N128 F139 Y140 A736 Q737	N128-A143 CarbonylContact C-O 2.95Å; N128-A143 VanDerWaalsContact C-O 3.23Å; N128-A143 CarbonylContact O-C 3.56Å; F139-A143 VanDerWaalsContact O-CB 3.29Å; F139-A143 WeakPolarHBondContact O-CB 3.12Å; F139-A143 PolarHBondContact O-N 2.98Å; Y140-A143 PolarHBondContact O-N 3.48Å; Y140-A143 VanDerWaalsContact O-N 3.11Å; A143-A736 HydrophobicContact CB-CB 3.49Å; A143-A736 VanDerWaalsContact CB-CB 3.49Å; A143-Q737 WeakPolarHBondContact O-CG 3.13Å; A143-Q737 PolarHBondContact O-NE2 2.86Å
144	C	97.2	Very high	95.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-116.8	-15.4	-170.9	-69.7	0	0	0	0	115.4	N128 Y140 G146 W147 L148 A736 C740	N128-C144 CarbonylContact O-C 3.59Å; N128-C144 VanDerWaalsContact O-C 3.23Å; N128-C144 WeakPolarHBondContact O-CA 3.21Å; Y140-C144 HydrophobicContact CD1-CB 4.41Å; Y140-C144 HydrophobicContact CE1-CB 4.12Å; Y140-C144 HydrophobicContact CE2-CB 4.36Å; Y140-C144 VanDerWaalsContact O-CB 3.25Å; Y140-C144 WeakPolarHBondContact O-CB 3.39Å; Y140-C144 PolarHBondContact O-N 3.34Å; C144-G146 PolarHBondContact O-N 3.36Å; C144-G146 VanDerWaalsContact O-N 3.09Å; C144-W147 WeakPolarHBondContact O-CA 3.45Å; C144-W147 WeakPolarHBondContact O-CB 3.29Å; C144-W147 PolarHBondContact O-N 3.05Å; C144-L148 HydrophobicContact CB-CD1 4.38Å; C144-L148 HydrophobicContact CB-CG 4.42Å; C144-L148 WeakPolarHBondContact O-CG 3.26Å; C144-L148 PolarHBondContact O-N 3.36Å; C144-A736 PolarHBondContact SG-O 2.99Å; C144-C740 WeakPolarHBondContact CA-SG 3.33Å; C144-C740 HydrophobicContact CB-CB 3.73Å; C144-C740 WeakPolarHBondContact CB-SG 3.43Å; C144-C740 WeakPolarHBondContact SG-CA 3.41Å; C144-C740 WeakPolarHBondContact SG-CB 3.49Å; C144-C740 CovalentContact SG-SG 2.03Å; C144-C740 PolarHBondContact SG-SG 2.88Å
145	G	96.1	Very high	95.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.8	-31.2	-172.1	0	0	0	0	0	113.9	N128 S141 R149	N128-G145 PolarHBondContact O-N 3.47Å; S141-G145 VanDerWaalsContact O-CA 3.23Å; S141-G145 WeakPolarHBondContact O-CA 3.41Å; S141-G145 PolarHBondContact O-N 3.34Å; G145-R149 WeakPolarHBondContact O-CG 3.4Å; G145-R149 PolarHBondContact O-N 2.8Å; G145-R149 PolarHBondContact O-NH1 2.92Å
146	G	95.5	Very high	95.1	Very high	4 Å²	4	31.9 Å²	31.9	4%	0.041	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-40	171.7	0	0	0	0	0	113.2	N128 C144 R150	N128-G146 VanDerWaalsContact O-CA 3.28Å; N128-G146 WeakPolarHBondContact O-CA 3.43Å; N128-G146 PolarHBondContact O-N 3.45Å; C144-G146 PolarHBondContact O-N 3.36Å; C144-G146 VanDerWaalsContact O-N 3.09Å; G146-R150 VanDerWaalsContact O-CZ 3.23Å; G146-R150 PolarHBondContact O-N 3.41Å; G146-R150 PolarHBondContact O-NH1 2.95Å
147	W	94.6	Very high	94.8	Very high	22 Å²	22	32.4 Å²	32.4	8%	0.083	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-49.1	173.9	178.2	-93.7	0	0	0	111	N128 C144 R149 R150 H151 Y160 I162 A165 C740	N128-W147 HydrophobicContact CB-CB 4.33Å; N128-W147 PolarHBondContact O-N 2.96Å; C144-W147 WeakPolarHBondContact O-CA 3.45Å; C144-W147 WeakPolarHBondContact O-CB 3.29Å; C144-W147 PolarHBondContact O-N 3.05Å; W147-R149 VanDerWaalsContact C-N 3.29Å; W147-R149 PolarHBondContact O-N 3.48Å; W147-R150 PolarHBondContact O-N 2.89Å; W147-R150 VanDerWaalsContact O-N 3.14Å; W147-H151 AromaticContact CD2-CE1 3.64Å; W147-H151 AromaticContact CD2-ND1 3.39Å; W147-H151 AromaticContact CE2-CG 3.93Å; W147-H151 AromaticContact CE2-ND1 3.61Å; W147-H151 AromaticContact CE3-CE1 3.21Å; W147-H151 AromaticContact CE3-ND1 3.5Å; W147-H151 AromaticContact CG-ND1 3.91Å; W147-H151 AromaticContact CH2-CD2 4Å; W147-H151 AromaticContact CH2-CE1 3.62Å; W147-H151 AromaticContact CH2-NE2 3.64Å; W147-H151 AromaticContact CZ2-CG 3.96Å; W147-H151 AromaticContact CZ2-ND1 3.93Å; W147-H151 AromaticContact CZ3-CE1 3.2Å; W147-H151 WeakPolarHBondContact CZ3-CE1 3.29Å; W147-H151 AromaticContact CZ3-ND1 3.81Å; W147-H151 AromaticContact CZ3-NE2 3.58Å; W147-H151 PolarHBondContact O-N 3.28Å; W147-H151 VanDerWaalsContact O-N 3.13Å; W147-H151 PolarHBondContact O-ND1 2.86Å; W147-Y160 HydrophobicContact CZ2-CD1 4.39Å; W147-Y160 HydrophobicContact CZ2-CE1 4.2Å; W147-I162 HydrophobicContact CD2-CG1 4.04Å; W147-I162 HydrophobicContact CE3-CD1 4.5Å; W147-I162 HydrophobicContact CE3-CG1 4.15Å; W147-I162 HydrophobicContact CH2-CG1 4.38Å; W147-I162 HydrophobicContact CZ2-CG1 4.26Å; W147-I162 HydrophobicContact CZ3-CG1 4.32Å; W147-A165 HydrophobicContact CH2-CB 4.12Å; W147-A165 HydrophobicContact CZ2-CB 4.43Å; W147-C740 HydrophobicContact CB-CB 4.14Å; W147-C740 HydrophobicContact CG-CB 3.97Å
148	L	94.2	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-34.9	-178.1	-58.7	174	0	0	0	111.8	F14 Y140 C144 K742	F14-L148 HydrophobicContact CB-CB 4.39Å; F14-L148 HydrophobicContact CB-CD1 4.36Å; F14-L148 HydrophobicContact CD1-CB 3.7Å; F14-L148 HydrophobicContact CD2-CB 4.27Å; F14-L148 HydrophobicContact CD2-CD1 3.59Å; F14-L148 HydrophobicContact CE1-CB 3.99Å; F14-L148 HydrophobicContact CE2-CD1 3.96Å; F14-L148 HydrophobicContact CG-CB 3.85Å; F14-L148 HydrophobicContact CG-CD1 3.91Å; F14-L148 HydrophobicContact CG-CG 4.45Å; F14-L148 HydrophobicContact CZ-CB 4.39Å; Y140-L148 HydrophobicContact CE1-CD1 3.87Å; C144-L148 HydrophobicContact CB-CD1 4.38Å; C144-L148 HydrophobicContact CB-CG 4.42Å; C144-L148 WeakPolarHBondContact O-CG 3.26Å; C144-L148 PolarHBondContact O-N 3.36Å; L148-K742 HydrophobicContact CD2-CG 3.72Å; L148-K742 WeakPolarHBondContact O-CE 3.32Å; L148-K742 PolarHBondContact O-NZ 3.04Å
149	R	92.5	Very high	94.3	Very high	132 Å²	132	31.8 Å²	31.8	50%	0.498	16%	0.156	S	C	.	.	H	α-helix	trans	-73.9	-31	175.6	-77.6	-169.9	-66.9	-87.6	8.3	114.7	F14 D130 G145 W147	F14-R149 HydrophobicContact CE1-CG 3.78Å; F14-R149 HydrophobicContact CZ-CG 4.45Å; D130-R149 IonicContact OD1-NH2 2.76Å; D130-R149 PolarHBondContact OD1-NH2 2.63Å; D130-R149 VanDerWaalsContact OD1-NH2 3.14Å; D130-R149 IonicContact OD2-CZ 2.66Å; D130-R149 IonicContact OD2-NH1 2.73Å; D130-R149 PolarHBondContact OD2-NH1 2.93Å; D130-R149 IonicContact OD2-NH2 3.19Å; D130-R149 PolarHBondContact OD2-NH2 2.98Å; G145-R149 WeakPolarHBondContact O-CG 3.4Å; G145-R149 PolarHBondContact O-N 2.8Å; G145-R149 PolarHBondContact O-NH1 2.92Å; W147-R149 VanDerWaalsContact C-N 3.29Å; W147-R149 PolarHBondContact O-N 3.48Å
150	R	93.5	Very high	94.1	Very high	125 Å²	125	33.3 Å²	33.3	47%	0.472	16%	0.162	S	C	.	.	H	α-helix	trans	-85.6	-24.3	-175.5	-77.3	-164.5	-56.4	-75.1	-7.9	114.3	A127 N128 G146 W147	A127-R150 PolarHBondContact O-NH1 2.93Å; A127-R150 PolarHBondContact O-NH2 3.3Å; N128-R150 PolarHBondContact OD1-NH2 3.41Å; N128-R150 VanDerWaalsContact OD1-NH2 3.09Å; G146-R150 VanDerWaalsContact O-CZ 3.23Å; G146-R150 PolarHBondContact O-N 3.41Å; G146-R150 PolarHBondContact O-NH1 2.95Å; W147-R150 PolarHBondContact O-N 2.89Å; W147-R150 VanDerWaalsContact O-N 3.14Å
151	H	91.4	Very high	93.9	Very high	56 Å²	56	33.3 Å²	33.3	26%	0.259	16%	0.163	S	C	.	.			trans	-115.7	129.7	-174	-56.1	86.8	0	0	0	110.5	W147 Y160 K742	W147-H151 AromaticContact CD2-CE1 3.64Å; W147-H151 AromaticContact CD2-ND1 3.39Å; W147-H151 AromaticContact CE2-CG 3.93Å; W147-H151 AromaticContact CE2-ND1 3.61Å; W147-H151 AromaticContact CE3-CE1 3.21Å; W147-H151 AromaticContact CE3-ND1 3.5Å; W147-H151 AromaticContact CG-ND1 3.91Å; W147-H151 AromaticContact CH2-CD2 4Å; W147-H151 AromaticContact CH2-CE1 3.62Å; W147-H151 AromaticContact CH2-NE2 3.64Å; W147-H151 AromaticContact CZ2-CG 3.96Å; W147-H151 AromaticContact CZ2-ND1 3.93Å; W147-H151 AromaticContact CZ3-CE1 3.2Å; W147-H151 WeakPolarHBondContact CZ3-CE1 3.29Å; W147-H151 AromaticContact CZ3-ND1 3.81Å; W147-H151 AromaticContact CZ3-NE2 3.58Å; W147-H151 PolarHBondContact O-N 3.28Å; W147-H151 VanDerWaalsContact O-N 3.13Å; W147-H151 PolarHBondContact O-ND1 2.86Å; H151-Y160 HydrophobicContact CB-CD1 4.17Å; H151-Y160 HydrophobicContact CB-CE1 4.46Å; H151-K742 WeakPolarHBondContact O-CD 3.35Å; H151-K742 WeakPolarHBondContact O-CE 3.29Å; H151-K742 PolarHBondContact O-NZ 3.15Å
152	G	90.9	Very high	93.7	Very high	42 Å²	42	33.5 Å²	33.5	43%	0.433	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-89.1	167.9	163.3	0	0	0	0	0	110.4	P154	G152-P154 WeakPolarHBondContact O-CD 3.47Å
153	I	93.3	Very high	93.4	Very high	11 Å²	11	35.4 Å²	35.4	6%	0.056	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-79.7	120.3	170.3	-53	174.5	0	0	0	107.3	E16 K157 K742 R744	E16-I153 PolarHBondContact OE1-N 2.95Å; I153-K157 HydrophobicContact CG2-CB 4.37Å; I153-K157 VanDerWaalsContact CG2-O 3.25Å; I153-K157 WeakPolarHBondContact CG2-O 3.45Å; I153-K742 HydrophobicContact CD1-CB 3.91Å; I153-K742 HydrophobicContact CG1-CB 3.64Å; I153-K742 HydrophobicContact CG1-CD 4.4Å; I153-R744 HydrophobicContact CD1-CG 3.76Å; I153-R744 HydrophobicContact CG2-CG 4.28Å
154	P	93.5	Very high	93.1	Very high	37 Å²	37	37.1 Å²	37.1	24%	0.24	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-53.7	148.7	173.8	-27.6	37.5	0	0	0	111.9	G152 D156 K157 Y160 R744	G152-P154 WeakPolarHBondContact O-CD 3.47Å; P154-D156 VanDerWaalsContact CB-OD1 3.22Å; P154-D156 WeakPolarHBondContact CB-OD1 3.33Å; P154-D156 PolarHBondContact O-N 3.16Å; P154-K157 HydrophobicContact CB-CB 4.4Å; P154-K157 HydrophobicContact CB-CD 4.18Å; P154-K157 HydrophobicContact CB-CG 4.15Å; P154-K157 HydrophobicContact CG-CD 4.01Å; P154-K157 HydrophobicContact CG-CG 4.49Å; P154-K157 PolarHBondContact O-N 3.3Å; P154-K157 VanDerWaalsContact O-N 3.09Å; P154-Y160 HydrophobicContact CG-CD2 3.81Å; P154-Y160 HydrophobicContact CG-CE2 4.01Å; P154-Y160 HydrophobicContact CG-CG 4.11Å; P154-R744 PolarHBondContact O-NH2 2.88Å
155	E	92.4	Very high	92.9	Very high	96 Å²	96	37.9 Å²	37.9	45%	0.449	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.1	-176.6	-67.5	-177	-159.2	0	0	112.3	K157 E452 Q453	E155-K157 VanDerWaalsContact C-N 3.31Å; E155-K157 PolarHBondContact O-N 3.47Å; E155-E452 HydrophobicContact CB-CB 4.1Å; E155-E452 HydrophobicContact CG-CB 4.49Å; E155-E452 WeakPolarHBondContact O-CA 3.29Å; E155-E452 PolarHBondContact O-N 2.77Å; E155-Q453 HydrophobicContact CB-CB 4.04Å; E155-Q453 HydrophobicContact CB-CG 3.79Å; E155-Q453 PolarHBondContact O-N 2.91Å; E155-Q453 WeakPolarHBondContact OE2-CG 3.3Å; E155-Q453 PolarHBondContact OE2-NE2 3.46Å
156	D	90.9	Very high	92.7	Very high	35 Å²	35	38 Å²	38	19%	0.187	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	8	178.3	70.8	-40.9	0	0	0	114.4	P154 Q453 L455 R459	P154-D156 VanDerWaalsContact CB-OD1 3.22Å; P154-D156 WeakPolarHBondContact CB-OD1 3.33Å; P154-D156 PolarHBondContact O-N 3.16Å; D156-Q453 WeakPolarHBondContact CA-O 3.37Å; D156-Q453 HydrophobicContact CB-CB 4.46Å; D156-L455 WeakPolarHBondContact OD2-CD1 3.38Å; D156-R459 IonicContact OD2-NH1 2.62Å
157	K	91.4	Very high	92.6	Very high	23 Å²	23	38.4 Å²	38.4	10%	0.1	20%	0.195	C	C	.	.			trans	-132.2	147.7	-174.2	-59.6	-173	-164	-55.3	0	113.4	I153 P154 E155 Y160 T164 E168 R744	I153-K157 HydrophobicContact CG2-CB 4.37Å; I153-K157 VanDerWaalsContact CG2-O 3.25Å; I153-K157 WeakPolarHBondContact CG2-O 3.45Å; P154-K157 HydrophobicContact CB-CB 4.4Å; P154-K157 HydrophobicContact CB-CD 4.18Å; P154-K157 HydrophobicContact CB-CG 4.15Å; P154-K157 HydrophobicContact CG-CD 4.01Å; P154-K157 HydrophobicContact CG-CG 4.49Å; P154-K157 PolarHBondContact O-N 3.3Å; P154-K157 VanDerWaalsContact O-N 3.09Å; E155-K157 VanDerWaalsContact C-N 3.31Å; E155-K157 PolarHBondContact O-N 3.47Å; K157-Y160 HydrophobicContact CD-CD2 3.76Å; K157-Y160 HydrophobicContact CD-CE2 4.18Å; K157-T164 HydrophobicContact CD-CG2 4.04Å; K157-E168 WeakPolarHBondContact CE-OE1 3.43Å; K157-E168 IonicContact NZ-OE1 3.39Å; K157-E168 PolarHBondContact NZ-OE1 2.7Å; K157-R744 PolarHBondContact O-NE 2.75Å
158	L	91.3	Very high	92.5	Very high	58 Å²	58	38.7 Å²	38.7	30%	0.304	20%	0.197	S	C	.	.	S	Bend	trans	-82	-26	173	64.5	92.1	0	0	0	112.9	D449 T451 R744 S747	L158-D449 HydrophobicContact CB-CB 4.16Å; L158-D449 HydrophobicContact CD2-CB 4.49Å; L158-T451 HydrophobicContact CB-CG2 4.24Å; L158-R744 WeakPolarHBondContact O-CG 2.93Å; L158-R744 PolarHBondContact O-N 3.4Å; L158-S747 VanDerWaalsContact CD1-OG 3.24Å; L158-S747 WeakPolarHBondContact CD1-OG 3.35Å
159	S	92.3	Very high	92.4	Very high	17 Å²	17	43.4 Å²	43.4	12%	0.119	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	158.4	178.1	64.8	0	0	0	0	111.3	M741 K742	S159-M741 PolarHBondContact OG-SD 2.94Å; S159-K742 CarbonylContact C-O 3.59Å; S159-K742 WeakPolarHBondContact CA-O 3.18Å; S159-K742 WeakPolarHBondContact CB-O 3.47Å
160	Y	94.6	Very high	92.5	Very high	32 Å²	32	37.3 Å²	37.3	13%	0.125	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	115.2	175.2	-158.7	-111.8	0	0	0	111.9	W147 H151 P154 K157 T164 E168 M741 K742	W147-Y160 HydrophobicContact CZ2-CD1 4.39Å; W147-Y160 HydrophobicContact CZ2-CE1 4.2Å; H151-Y160 HydrophobicContact CB-CD1 4.17Å; H151-Y160 HydrophobicContact CB-CE1 4.46Å; P154-Y160 HydrophobicContact CG-CD2 3.81Å; P154-Y160 HydrophobicContact CG-CE2 4.01Å; P154-Y160 HydrophobicContact CG-CG 4.11Å; K157-Y160 HydrophobicContact CD-CD2 3.76Å; K157-Y160 HydrophobicContact CD-CE2 4.18Å; Y160-T164 HydrophobicContact CD2-CG2 3.73Å; Y160-T164 HydrophobicContact CE2-CG2 4.09Å; Y160-E168 VanDerWaalsContact CE2-OE2 3.32Å; Y160-E168 WeakPolarHBondContact CE2-OE2 3.25Å; Y160-E168 PolarHBondContact OH-OE2 3.43Å; Y160-M741 WeakPolarHBondContact O-CA 3.13Å; Y160-K742 PolarHBondContact N-O 3.26Å; Y160-K742 PolarHBondContact O-N 2.57Å
161	G	93.9	Very high	92.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	-173.5	178	0	0	0	0	0	113	I163 T164 A165 C740	G161-I163 PolarHBondContact O-N 3.37Å; G161-T164 PolarHBondContact N-OG1 3.29Å; G161-T164 WeakPolarHBondContact O-CB 3.33Å; G161-T164 PolarHBondContact O-N 2.83Å; G161-A165 PolarHBondContact O-N 2.72Å; G161-C740 CarbonylContact C-O 3.6Å; G161-C740 WeakPolarHBondContact CA-O 3.43Å
162	I	92	Very high	92.8	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-47.1	-179.6	-66.3	-169.9	0	0	0	111.1	F124 W147 T164 A165 I166 T611 Q737 C740	F124-I162 HydrophobicContact CE2-CD1 4.43Å; F124-I162 HydrophobicContact CZ-CD1 3.86Å; F124-I162 HydrophobicContact CZ-CG2 4.44Å; W147-I162 HydrophobicContact CD2-CG1 4.04Å; W147-I162 HydrophobicContact CE3-CD1 4.5Å; W147-I162 HydrophobicContact CE3-CG1 4.15Å; W147-I162 HydrophobicContact CH2-CG1 4.38Å; W147-I162 HydrophobicContact CZ2-CG1 4.26Å; W147-I162 HydrophobicContact CZ3-CG1 4.32Å; I162-T164 VanDerWaalsContact C-N 3.32Å; I162-T164 PolarHBondContact O-N 2.99Å; I162-A165 WeakPolarHBondContact O-CB 3.07Å; I162-A165 PolarHBondContact O-N 3.26Å; I162-A165 VanDerWaalsContact O-N 3.16Å; I162-I166 HydrophobicContact CG2-CD1 4.47Å; I162-I166 WeakPolarHBondContact O-CG1 3.46Å; I162-I166 PolarHBondContact O-N 3.48Å; I162-T611 HydrophobicContact CG2-CG2 4.24Å; I162-T611 WeakPolarHBondContact CG2-OG1 3.28Å; I162-Q737 HydrophobicContact CD1-CB 4.23Å; I162-Q737 WeakPolarHBondContact CD1-O 3.04Å; I162-C740 HydrophobicContact CD1-CB 4.09Å; I162-C740 HydrophobicContact CG1-CB 4.09Å; I162-C740 PolarHBondContact N-O 3.05Å; I162-C740 VanDerWaalsContact N-O 3.1Å
163	I	91.5	Very high	93	Very high	46 Å²	46	35.7 Å²	35.7	24%	0.236	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-40.1	178.7	-60.3	178.4	0	0	0	110.8	G161 A165 I166 G167 L590 L612	G161-I163 PolarHBondContact O-N 3.37Å; I163-A165 VanDerWaalsContact C-N 3.32Å; I163-A165 PolarHBondContact O-N 3.1Å; I163-I166 WeakPolarHBondContact O-CB 3.3Å; I163-I166 PolarHBondContact O-N 3.37Å; I163-G167 PolarHBondContact O-N 2.96Å; I163-L590 HydrophobicContact CG2-CB 4.35Å; I163-L590 HydrophobicContact CG2-CD1 4.37Å; I163-L590 WeakPolarHBondContact O-CD1 3.42Å; I163-L612 HydrophobicContact CG1-CD1 4.44Å
164	T	92.1	Very high	93.2	Very high	37 Å²	37	35.6 Å²	35.6	23%	0.227	18%	0.182	C	C	.	.	H	α-helix	trans	-59.2	-42.7	174.6	-40.6	0	0	0	0	111.8	K157 Y160 G161 I162 I166 G167 E168	K157-T164 HydrophobicContact CD-CG2 4.04Å; Y160-T164 HydrophobicContact CD2-CG2 3.73Å; Y160-T164 HydrophobicContact CE2-CG2 4.09Å; G161-T164 PolarHBondContact N-OG1 3.29Å; G161-T164 WeakPolarHBondContact O-CB 3.33Å; G161-T164 PolarHBondContact O-N 2.83Å; I162-T164 VanDerWaalsContact C-N 3.32Å; I162-T164 PolarHBondContact O-N 2.99Å; T164-I166 PolarHBondContact O-N 2.96Å; T164-G167 VanDerWaalsContact O-CA 3.31Å; T164-G167 WeakPolarHBondContact O-CA 3.26Å; T164-G167 PolarHBondContact O-N 2.88Å; T164-E168 PolarHBondContact O-N 3.09Å
165	A	92.6	Very high	93.4	Very high	15 Å²	15	35.3 Å²	35.3	12%	0.124	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-34.1	178.3	0	0	0	0	0	112.8	W147 G161 I162 I163 G167 Q169	W147-A165 HydrophobicContact CH2-CB 4.12Å; W147-A165 HydrophobicContact CZ2-CB 4.43Å; G161-A165 PolarHBondContact O-N 2.72Å; I162-A165 WeakPolarHBondContact O-CB 3.07Å; I162-A165 PolarHBondContact O-N 3.26Å; I162-A165 VanDerWaalsContact O-N 3.16Å; I163-A165 VanDerWaalsContact C-N 3.32Å; I163-A165 PolarHBondContact O-N 3.1Å; A165-G167 VanDerWaalsContact C-N 3.25Å; A165-Q169 PolarHBondContact O-N 3.28Å
166	I	92.1	Very high	93.6	Very high	4 Å²	4	36 Å²	36	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-37.8	168.7	-56.9	166.9	0	0	0	109.8	I162 I163 T164 E168 Q169 N170 L590 Q609 T611 L612	I162-I166 HydrophobicContact CG2-CD1 4.47Å; I162-I166 WeakPolarHBondContact O-CG1 3.46Å; I162-I166 PolarHBondContact O-N 3.48Å; I163-I166 WeakPolarHBondContact O-CB 3.3Å; I163-I166 PolarHBondContact O-N 3.37Å; T164-I166 PolarHBondContact O-N 2.96Å; I166-E168 PolarHBondContact O-N 2.57Å; I166-Q169 WeakPolarHBondContact O-CB 3.4Å; I166-Q169 PolarHBondContact O-N 3.18Å; I166-N170 PolarHBondContact O-N 3.21Å; I166-L590 HydrophobicContact CB-CD1 4.11Å; I166-L590 HydrophobicContact CB-CD2 4.39Å; I166-L590 HydrophobicContact CG2-CD1 4.12Å; I166-L590 HydrophobicContact CG2-CD2 3.7Å; I166-Q609 HydrophobicContact CG2-CB 3.66Å; I166-Q609 HydrophobicContact CG2-CG 3.85Å; I166-T611 WeakPolarHBondContact CD1-OG1 3.2Å; I166-L612 HydrophobicContact CD1-CD1 3.85Å; I166-L612 HydrophobicContact CD1-CG 3.84Å
167	G	93.1	Very high	93.9	Very high	11 Å²	11	34.6 Å²	34.6	11%	0.113	17%	0.173	C	C	.	.	H	α-helix	trans	-57.3	-49.9	178.5	0	0	0	0	0	112.1	I163 T164 A165 Q169 N170 E171	I163-G167 PolarHBondContact O-N 2.96Å; T164-G167 VanDerWaalsContact O-CA 3.31Å; T164-G167 WeakPolarHBondContact O-CA 3.26Å; T164-G167 PolarHBondContact O-N 2.88Å; A165-G167 VanDerWaalsContact C-N 3.25Å; G167-Q169 VanDerWaalsContact C-N 3.28Å; G167-Q169 PolarHBondContact O-N 3.25Å; G167-N170 PolarHBondContact O-N 2.8Å; G167-E171 WeakPolarHBondContact O-CB 2.75Å; G167-E171 WeakPolarHBondContact O-CG 3.21Å; G167-E171 PolarHBondContact O-N 2.88Å
168	E	92.8	Very high	94.2	Very high	28 Å²	28	33.5 Å²	33.5	13%	0.131	17%	0.168	C	C	.	.	H	α-helix	trans	-59	-40.1	177.6	-61.2	-164.7	120	0	0	112	K157 Y160 T164 I166 N170 E171 E172 R459	K157-E168 WeakPolarHBondContact CE-OE1 3.43Å; K157-E168 IonicContact NZ-OE1 3.39Å; K157-E168 PolarHBondContact NZ-OE1 2.7Å; Y160-E168 VanDerWaalsContact CE2-OE2 3.32Å; Y160-E168 WeakPolarHBondContact CE2-OE2 3.25Å; Y160-E168 PolarHBondContact OH-OE2 3.43Å; T164-E168 PolarHBondContact O-N 3.09Å; I166-E168 PolarHBondContact O-N 2.57Å; E168-N170 PolarHBondContact O-N 3.24Å; E168-E171 PolarHBondContact O-N 3.31Å; E168-E172 WeakPolarHBondContact O-CG 3.48Å; E168-E172 PolarHBondContact O-N 2.93Å; E168-R459 IonicContact OE1-CZ 3.92Å; E168-R459 IonicContact OE1-NH1 3.84Å; E168-R459 PolarHBondContact OE1-NH1 3.3Å; E168-R459 IonicContact OE1-NH2 3.56Å
169	Q	92.8	Very high	94.4	Very high	100 Å²	100	36.2 Å²	36.2	47%	0.467	18%	0.182	S	C	.	.	H	α-helix	trans	-65.6	-37.7	176.2	-65.5	175.9	24.9	0	0	112.6	A165 I166 G167 K173	A165-Q169 PolarHBondContact O-N 3.28Å; I166-Q169 WeakPolarHBondContact O-CB 3.4Å; I166-Q169 PolarHBondContact O-N 3.18Å; G167-Q169 VanDerWaalsContact C-N 3.28Å; G167-Q169 PolarHBondContact O-N 3.25Å; Q169-K173 VanDerWaalsContact O-CG 3.3Å; Q169-K173 WeakPolarHBondContact O-CG 3.39Å; Q169-K173 PolarHBondContact O-N 3.25Å
170	N	94.4	Very high	94.6	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-70.4	-40.4	175.8	-75.7	-10.7	0	0	0	111.1	I166 G167 E168 K173 L174 F477 G606	I166-N170 PolarHBondContact O-N 3.21Å; G167-N170 PolarHBondContact O-N 2.8Å; E168-N170 PolarHBondContact O-N 3.24Å; N170-K173 PolarHBondContact O-N 3.41Å; N170-L174 WeakPolarHBondContact O-CB 3.36Å; N170-L174 VanDerWaalsContact O-CG 3.23Å; N170-L174 WeakPolarHBondContact O-CG 3.22Å; N170-L174 PolarHBondContact O-N 3.23Å; N170-F477 HydrophobicContact CB-CE2 4.41Å; N170-G606 PolarHBondContact ND2-O 3Å
171	E	95.3	Very high	94.6	Very high	53 Å²	53	41.5 Å²	41.5	25%	0.248	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-45.1	174.7	-73.3	173.6	-170.1	0	0	111.7	G167 E168 K173 L174 Q175 L462	G167-E171 WeakPolarHBondContact O-CB 2.75Å; G167-E171 WeakPolarHBondContact O-CG 3.21Å; G167-E171 PolarHBondContact O-N 2.88Å; E168-E171 PolarHBondContact O-N 3.31Å; E171-K173 PolarHBondContact O-N 2.83Å; E171-L174 PolarHBondContact O-N 3.41Å; E171-Q175 WeakPolarHBondContact O-CB 3.35Å; E171-Q175 WeakPolarHBondContact O-CG 3.2Å; E171-Q175 PolarHBondContact O-N 2.83Å; E171-L462 HydrophobicContact CB-CD2 3.74Å; E171-L462 HydrophobicContact CG-CD2 3.84Å; E171-L462 WeakPolarHBondContact O-CD2 3.15Å
172	E	95.2	Very high	94.7	Very high	93 Å²	93	42.2 Å²	42.2	44%	0.435	22%	0.218	S	C	.	.	H	α-helix	trans	-58.9	-45.5	176	-76.2	173.8	-170.8	0	0	112.1	E168 L174 Q175 Q176	E168-E172 WeakPolarHBondContact O-CG 3.48Å; E168-E172 PolarHBondContact O-N 2.93Å; E172-L174 PolarHBondContact O-N 3.04Å; E172-Q175 PolarHBondContact O-N 3.47Å; E172-Q176 VanDerWaalsContact O-CG 3.28Å; E172-Q176 WeakPolarHBondContact O-CG 3.38Å; E172-Q176 PolarHBondContact O-N 3.34Å
173	K	96	Very high	94.9	Very high	43 Å²	43	48.3 Å²	48.3	19%	0.187	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-44	175.6	-69.3	166.5	-166.7	162.9	0	111.4	Q169 N170 E171 Q176 L177 F477 Q609	Q169-K173 VanDerWaalsContact O-CG 3.3Å; Q169-K173 WeakPolarHBondContact O-CG 3.39Å; Q169-K173 PolarHBondContact O-N 3.25Å; N170-K173 PolarHBondContact O-N 3.41Å; E171-K173 PolarHBondContact O-N 2.83Å; K173-Q176 PolarHBondContact O-N 3.43Å; K173-L177 WeakPolarHBondContact O-CG 3.47Å; K173-L177 PolarHBondContact O-N 2.93Å; K173-F477 HydrophobicContact CD-CE2 4.19Å; K173-Q609 VanDerWaalsContact NZ-OE1 3.08Å
174	L	97.4	Very high	95	Very high	9 Å²	9	49.5 Å²	49.5	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-67.5	-41	179.6	-69.7	166.1	0	0	0	112.1	N170 E171 E172 Q176 L177 L178 L462 L473 F477 Q588	N170-L174 WeakPolarHBondContact O-CB 3.36Å; N170-L174 VanDerWaalsContact O-CG 3.23Å; N170-L174 WeakPolarHBondContact O-CG 3.22Å; N170-L174 PolarHBondContact O-N 3.23Å; E171-L174 PolarHBondContact O-N 3.41Å; E172-L174 PolarHBondContact O-N 3.04Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; L174-Q176 PolarHBondContact O-N 3.44Å; L174-L177 HydrophobicContact CD2-CD1 4.46Å; L174-L177 WeakPolarHBondContact O-CB 3.43Å; L174-L177 PolarHBondContact O-N 3.12Å; L174-L178 WeakPolarHBondContact O-CG 3.47Å; L174-L178 PolarHBondContact O-N 2.81Å; L174-L462 HydrophobicContact CB-CD1 3.74Å; L174-L462 HydrophobicContact CB-CD2 3.94Å; L174-L462 HydrophobicContact CD1-CD1 4.34Å; L174-L462 HydrophobicContact CD1-CD2 4.39Å; L174-L473 HydrophobicContact CD2-CB 4.4Å; L174-F477 HydrophobicContact CD2-CB 3.95Å; L174-F477 HydrophobicContact CD2-CD2 3.87Å; L174-F477 HydrophobicContact CD2-CG 4.29Å; L174-F477 HydrophobicContact CG-CD2 4.17Å; L174-Q588 HydrophobicContact CD1-CB 4.21Å; L174-Q588 HydrophobicContact CD1-CG 3.86Å; L174-Q588 HydrophobicContact CD2-CB 4.34Å; L174-Q588 HydrophobicContact CD2-CG 4.2Å
175	Q	96.9	Very high	95.1	Very high	31 Å²	31	54.1 Å²	54.1	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-44	173.8	-75.2	-173.5	-28	0	0	111.1	E171 E172 L177 L178 L179 G458 L462	E171-Q175 WeakPolarHBondContact O-CB 3.35Å; E171-Q175 WeakPolarHBondContact O-CG 3.2Å; E171-Q175 PolarHBondContact O-N 2.83Å; E172-Q175 PolarHBondContact O-N 3.47Å; Q175-L177 PolarHBondContact O-N 2.87Å; Q175-L178 PolarHBondContact O-N 3.45Å; Q175-L179 VanDerWaalsContact O-CG 3.29Å; Q175-L179 WeakPolarHBondContact O-CG 3.34Å; Q175-L179 PolarHBondContact O-N 3.04Å; Q175-G458 PolarHBondContact NE2-O 3.33Å; Q175-L462 HydrophobicContact CG-CB 4.38Å; Q175-L462 HydrophobicContact CG-CD2 3.93Å
176	Q	96.8	Very high	95.1	Very high	111 Å²	111	55.1 Å²	55.1	52%	0.519	28%	0.279	S	S	.	.	H	α-helix	trans	-58.4	-47.4	174.9	-71.9	172.6	15.2	0	0	111.3	E172 K173 L174 L178 L179 E180	E172-Q176 VanDerWaalsContact O-CG 3.28Å; E172-Q176 WeakPolarHBondContact O-CG 3.38Å; E172-Q176 PolarHBondContact O-N 3.34Å; K173-Q176 PolarHBondContact O-N 3.43Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; L174-Q176 PolarHBondContact O-N 3.44Å; Q176-L178 VanDerWaalsContact C-N 3.27Å; Q176-L178 PolarHBondContact O-N 3.1Å; Q176-L179 PolarHBondContact O-N 3.26Å; Q176-L179 VanDerWaalsContact O-N 3.15Å; Q176-E180 WeakPolarHBondContact O-CG 3.24Å; Q176-E180 PolarHBondContact O-N 2.98Å; Q176-E180 VanDerWaalsContact O-N 3.13Å
177	L	97.5	Very high	95	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-58	-37.4	175.9	-76	169.2	0	0	0	113	K173 L174 Q175 K195 L476 K480	K173-L177 WeakPolarHBondContact O-CG 3.47Å; K173-L177 PolarHBondContact O-N 2.93Å; L174-L177 HydrophobicContact CD2-CD1 4.46Å; L174-L177 WeakPolarHBondContact O-CB 3.43Å; L174-L177 PolarHBondContact O-N 3.12Å; Q175-L177 PolarHBondContact O-N 2.87Å; L177-K195 WeakPolarHBondContact O-CE 3.27Å; L177-L476 HydrophobicContact CD1-CB 4.12Å; L177-L476 HydrophobicContact CD2-CB 4.43Å; L177-K480 HydrophobicContact CD2-CB 4.31Å; L177-K480 HydrophobicContact CD2-CD 3.42Å; L177-K480 VanDerWaalsContact CD2-CD 3.42Å; L177-K480 HydrophobicContact CD2-CG 4.5Å; L177-K480 HydrophobicContact CG-CD 4.3Å
178	L	97.6	Very high	95	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-72.2	-31.4	177.8	-78.4	169.4	0	0	0	113.3	L174 Q175 Q176 V194 K195 Y198 L462 L473	L174-L178 WeakPolarHBondContact O-CG 3.47Å; L174-L178 PolarHBondContact O-N 2.81Å; Q175-L178 PolarHBondContact O-N 3.45Å; Q176-L178 VanDerWaalsContact C-N 3.27Å; Q176-L178 PolarHBondContact O-N 3.1Å; L178-V194 HydrophobicContact CD2-CG1 4.42Å; L178-V194 HydrophobicContact CD2-CG2 4.05Å; L178-K195 HydrophobicContact CD2-CG 4.29Å; L178-Y198 HydrophobicContact CB-CD1 3.82Å; L178-Y198 HydrophobicContact CB-CE1 4.13Å; L178-Y198 HydrophobicContact CB-CG 4.13Å; L178-Y198 HydrophobicContact CD1-CD1 4.28Å; L178-Y198 HydrophobicContact CD1-CD2 3.69Å; L178-Y198 HydrophobicContact CD1-CE2 4.04Å; L178-Y198 HydrophobicContact CD1-CG 3.81Å; L178-Y198 HydrophobicContact CD2-CG 4.26Å; L178-Y198 HydrophobicContact CG-CD1 4.5Å; L178-Y198 HydrophobicContact CG-CG 4.31Å; L178-L462 HydrophobicContact CD1-CD1 3.63Å; L178-L473 HydrophobicContact CD1-CD2 4.28Å; L178-L473 HydrophobicContact CD2-CD2 3.73Å; L178-L473 HydrophobicContact CG-CD2 3.99Å
179	L	95.6	Very high	95.3	Very high	114 Å²	114	62 Å²	62	60%	0.597	32%	0.319	S	S	*	.	H	α-helix	trans	-79.8	-20.8	179	-69	173.5	0	0	0	112.9	Q175 Q176 Y198	Q175-L179 VanDerWaalsContact O-CG 3.29Å; Q175-L179 WeakPolarHBondContact O-CG 3.34Å; Q175-L179 PolarHBondContact O-N 3.04Å; Q176-L179 PolarHBondContact O-N 3.26Å; Q176-L179 VanDerWaalsContact O-N 3.15Å; L179-Y198 HydrophobicContact CD2-CE1 4.07Å; L179-Y198 HydrophobicContact CG-CE1 4.49Å
180	E	96.1	Very high	95.5	Very high	69 Å²	69	57.3 Å²	57.3	32%	0.322	30%	0.297	S	S	.	.	S	Bend	trans	-59	151.3	175.5	-76.6	171.3	-169.6	0	0	113.1	Q176 K195 R199 K480	Q176-E180 WeakPolarHBondContact O-CG 3.24Å; Q176-E180 PolarHBondContact O-N 2.98Å; Q176-E180 VanDerWaalsContact O-N 3.13Å; E180-K195 WeakPolarHBondContact O-CE 3.4Å; E180-K195 PolarHBondContact O-NZ 3.09Å; E180-R199 PolarHBondContact O-NH2 2.7Å; E180-K480 IonicContact OE1-NZ 2.79Å; E180-K480 PolarHBondContact OE1-NZ 3.08Å
181	P	95.8	Very high	95.6	Very high	91 Å²	91	58.1 Å²	58.1	59%	0.591	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-54.7	143.3	173.2	-23.2	33.4	0	0	0	111.4	Q183 K195	P181-Q183 PolarHBondContact O-N 3.47Å; P181-Q183 PolarHBondContact O-NE2 2.62Å; P181-K195 PolarHBondContact O-NZ 2.58Å
182	V	96.3	Very high	95.7	Very high	16 Å²	16	58.1 Å²	58.1	10%	0.097	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-65.8	128.2	172.3	175.1	0	0	0	0	107.6	R184 H185 R192 K195	V182-R184 VanDerWaalsContact CG1-O 3.3Å; V182-R184 WeakPolarHBondContact CG1-O 3.48Å; V182-H185 PolarHBondContact O-CE1 2.89Å; V182-H185 PolarHBondContact O-NE2 2.97Å; V182-R192 HydrophobicContact CG1-CB 3.84Å; V182-R192 HydrophobicContact CG1-CG 4.03Å; V182-R192 HydrophobicContact CG2-CG 4.49Å; V182-K195 HydrophobicContact CG2-CB 4.1Å; V182-K195 HydrophobicContact CG2-CD 3.78Å
183	Q	94.8	Very high	95.8	Very high	134 Å²	134	53.8 Å²	53.8	63%	0.626	28%	0.278	S	S	*	.	S	Bend	trans	-92	-41.7	176.2	-56.6	-57.5	-47.1	0	0	111	P181 E191	P181-Q183 PolarHBondContact O-N 3.47Å; P181-Q183 PolarHBondContact O-NE2 2.62Å; Q183-E191 PolarHBondContact N-OE1 3.24Å
184	R	94.4	Very high	95.9	Very high	71 Å²	71	51.7 Å²	51.7	27%	0.268	27%	0.269	S	S	.	.			trans	-100.3	104.4	179.7	-63.5	-179.9	65.4	-126.8	-5.7	111.7	V182 S189 E191 D539 D543	V182-R184 VanDerWaalsContact CG1-O 3.3Å; V182-R184 WeakPolarHBondContact CG1-O 3.48Å; R184-S189 WeakPolarHBondContact CB-OG 3.26Å; R184-S189 VanDerWaalsContact O-CB 3.22Å; R184-S189 WeakPolarHBondContact O-CB 3.47Å; R184-S189 PolarHBondContact O-OG 2.73Å; R184-E191 PolarHBondContact N-OE2 2.71Å; R184-E191 VanDerWaalsContact N-OE2 3.08Å; R184-D539 WeakPolarHBondContact CD-OD2 3.47Å; R184-D539 IonicContact NE-OD2 3.95Å; R184-D543 IonicContact CZ-OD1 2.88Å; R184-D543 IonicContact CZ-OD2 3.58Å; R184-D543 IonicContact NH1-OD1 2.77Å; R184-D543 PolarHBondContact NH1-OD1 2.89Å; R184-D543 IonicContact NH1-OD2 3.19Å; R184-D543 PolarHBondContact NH1-OD2 3.39Å; R184-D543 IonicContact NH2-OD1 2.64Å; R184-D543 IonicContact NH2-OD2 3.14Å; R184-D543 PolarHBondContact NH2-OD2 3.37Å
185	H	93.3	Very high	96	Very high	134 Å²	134	51.4 Å²	51.4	62%	0.62	27%	0.268	S	S	*	.			trans	-87.8	-5.2	-174.1	-68.8	-78	0	0	0	116.1	V182 R192	V182-H185 PolarHBondContact O-CE1 2.89Å; V182-H185 PolarHBondContact O-NE2 2.97Å; H185-R192 PolarHBondContact O-NH1 3.22Å
186	G	93	Very high	96	Very high	36 Å²	36	51.8 Å²	51.8	37%	0.371	27%	0.269	S	S	.	.	S	Bend	trans	-54.9	150.4	-178.4	0	0	0	0	0	113.2	D188 S189 R192	G186-D188 PolarHBondContact O-N 3.14Å; G186-S189 VanDerWaalsContact O-CB 3.23Å; G186-S189 WeakPolarHBondContact O-CB 3.06Å; G186-S189 PolarHBondContact O-N 3.27Å; G186-S189 VanDerWaalsContact O-N 3.16Å; G186-R192 VanDerWaalsContact O-CZ 3.23Å; G186-R192 PolarHBondContact O-NE 3.29Å; G186-R192 PolarHBondContact O-NH1 3.01Å
187	P	89.9	Confident	96.1	Very high	89 Å²	89	46.5 Å²	46.5	58%	0.578	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-38	-178.5	19.8	-30.9	0	0	0	113.8	R192 K193	P187-R192 VanDerWaalsContact CA-CZ 3.48Å; P187-R192 VanDerWaalsContact CA-NH2 3.27Å; P187-R192 PolarHBondContact O-NH2 3.32Å; P187-K193 WeakPolarHBondContact O-CE 3.34Å
188	D	94.3	Very high	96.1	Very high	97 Å²	97	46.7 Å²	46.7	52%	0.519	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-6.5	-175.7	-58.1	-49	0	0	0	114	G186 A190 D543	G186-D188 PolarHBondContact O-N 3.14Å; D188-A190 PolarHBondContact O-N 3.13Å; D188-A190 VanDerWaalsContact O-N 3.08Å; D188-D543 HydrophobicContact CB-CB 4.47Å; D188-D543 WeakPolarHBondContact O-CB 3.36Å
189	S	97.2	Very high	96.1	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.007	26%	0.259	C	S	.	.			trans	-54.6	113.8	-177.3	171.5	0	0	0	0	112.2	R184 G186 E191 R192 K193 D543	R184-S189 WeakPolarHBondContact CB-OG 3.26Å; R184-S189 VanDerWaalsContact O-CB 3.22Å; R184-S189 WeakPolarHBondContact O-CB 3.47Å; R184-S189 PolarHBondContact O-OG 2.73Å; G186-S189 VanDerWaalsContact O-CB 3.23Å; G186-S189 WeakPolarHBondContact O-CB 3.06Å; G186-S189 PolarHBondContact O-N 3.27Å; G186-S189 VanDerWaalsContact O-N 3.16Å; S189-E191 VanDerWaalsContact C-N 3.28Å; S189-E191 PolarHBondContact O-N 3.43Å; S189-R192 PolarHBondContact O-N 3.29Å; S189-R192 PolarHBondContact OG-N 3.28Å; S189-K193 WeakPolarHBondContact O-CG 3.42Å; S189-K193 PolarHBondContact O-N 3.28Å; S189-D543 WeakPolarHBondContact CA-OD1 3.36Å
190	A	97.1	Very high	96.3	Very high	2 Å²	2	45 Å²	45	2%	0.017	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-36.3	176	0	0	0	0	0	111.7	D188 R192 K193 V194 A472 I542 D543 Y546	D188-A190 PolarHBondContact O-N 3.13Å; D188-A190 VanDerWaalsContact O-N 3.08Å; A190-R192 PolarHBondContact O-N 3.34Å; A190-K193 PolarHBondContact O-N 2.86Å; A190-V194 WeakPolarHBondContact O-CG1 3.5Å; A190-V194 PolarHBondContact O-N 2.69Å; A190-A472 HydrophobicContact CB-CB 3.97Å; A190-I542 HydrophobicContact CB-CB 4.49Å; A190-I542 HydrophobicContact CB-CG2 3.59Å; A190-D543 PolarHBondContact N-OD1 2.98Å; A190-Y546 HydrophobicContact CB-CD2 3.69Å; A190-Y546 HydrophobicContact CB-CE2 4.39Å; A190-Y546 HydrophobicContact CB-CG 4.42Å
191	E	97.1	Very high	96.3	Very high	22 Å²	22	41.8 Å²	41.8	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-47.7	174.1	-176.6	-157.1	162.1	0	0	110.9	Q183 R184 S189 V194 K195 L476	Q183-E191 PolarHBondContact N-OE1 3.24Å; R184-E191 PolarHBondContact N-OE2 2.71Å; R184-E191 VanDerWaalsContact N-OE2 3.08Å; S189-E191 VanDerWaalsContact C-N 3.28Å; S189-E191 PolarHBondContact O-N 3.43Å; E191-V194 WeakPolarHBondContact O-CG1 3.42Å; E191-K195 HydrophobicContact CG-CD 4.18Å; E191-K195 WeakPolarHBondContact O-CB 3.46Å; E191-K195 WeakPolarHBondContact O-CG 3.46Å; E191-K195 PolarHBondContact O-N 2.63Å; E191-K195 IonicContact OE1-NZ 3.65Å; E191-K195 PolarHBondContact OE1-NZ 2.99Å; E191-L476 HydrophobicContact CG-CD1 4.44Å; E191-L476 HydrophobicContact CG-CD2 4.11Å
192	R	97.4	Very high	96.4	Very high	52 Å²	52	40.1 Å²	40.1	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-48.9	178.5	-175.5	-172.5	74.3	165.6	16.6	110.4	V182 H185 G186 P187 S189 A190 V194 K195 E196	V182-R192 HydrophobicContact CG1-CB 3.84Å; V182-R192 HydrophobicContact CG1-CG 4.03Å; V182-R192 HydrophobicContact CG2-CG 4.49Å; H185-R192 PolarHBondContact O-NH1 3.22Å; G186-R192 VanDerWaalsContact O-CZ 3.23Å; G186-R192 PolarHBondContact O-NE 3.29Å; G186-R192 PolarHBondContact O-NH1 3.01Å; P187-R192 VanDerWaalsContact CA-CZ 3.48Å; P187-R192 VanDerWaalsContact CA-NH2 3.27Å; P187-R192 PolarHBondContact O-NH2 3.32Å; S189-R192 PolarHBondContact O-N 3.29Å; S189-R192 PolarHBondContact OG-N 3.28Å; A190-R192 PolarHBondContact O-N 3.34Å; R192-V194 PolarHBondContact O-N 3.15Å; R192-K195 PolarHBondContact O-N 3.37Å; R192-E196 HydrophobicContact CG-CG 4.24Å; R192-E196 WeakPolarHBondContact O-CB 3.31Å; R192-E196 WeakPolarHBondContact O-CG 3.5Å; R192-E196 PolarHBondContact O-N 2.62Å
193	K	98.2	Very high	96.5	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-58.1	-46.9	-177.6	-72.3	179.1	-171.3	-170	0	111.4	P187 S189 A190 E196 F197 F469 Y546 F548 V550	P187-K193 WeakPolarHBondContact O-CE 3.34Å; S189-K193 WeakPolarHBondContact O-CG 3.42Å; S189-K193 PolarHBondContact O-N 3.28Å; A190-K193 PolarHBondContact O-N 2.86Å; K193-E196 PolarHBondContact O-N 3Å; K193-F197 VanDerWaalsContact O-CB 3.28Å; K193-F197 WeakPolarHBondContact O-CB 3.28Å; K193-F197 PolarHBondContact O-N 3.02Å; K193-F469 HydrophobicContact CB-CE1 3.8Å; K193-F469 HydrophobicContact CB-CZ 4.29Å; K193-Y546 WeakPolarHBondContact CD-O 3.44Å; K193-Y546 PolarHBondContact NZ-O 3.37Å; K193-F548 WeakPolarHBondContact CE-O 3.39Å; K193-F548 PolarHBondContact NZ-O 3.23Å; K193-V550 HydrophobicContact CB-CB 4.27Å; K193-V550 HydrophobicContact CB-CG2 3.9Å; K193-V550 HydrophobicContact CD-CG2 4.46Å; K193-V550 HydrophobicContact CG-CB 4.27Å; K193-V550 HydrophobicContact CG-CG2 4.09Å; K193-V550 WeakPolarHBondContact O-CG1 3.31Å
194	V	98	Very high	96.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.2	-40.4	179.9	71	0	0	0	0	112.8	L178 A190 E191 R192 F197 Y198 A465 F469 L473 L476	L178-V194 HydrophobicContact CD2-CG1 4.42Å; L178-V194 HydrophobicContact CD2-CG2 4.05Å; A190-V194 WeakPolarHBondContact O-CG1 3.5Å; A190-V194 PolarHBondContact O-N 2.69Å; E191-V194 WeakPolarHBondContact O-CG1 3.42Å; R192-V194 PolarHBondContact O-N 3.15Å; V194-F197 PolarHBondContact O-N 2.8Å; V194-Y198 WeakPolarHBondContact O-CB 3.48Å; V194-Y198 PolarHBondContact O-N 3.16Å; V194-A465 HydrophobicContact CG2-CB 4.3Å; V194-F469 HydrophobicContact CB-CB 3.84Å; V194-F469 HydrophobicContact CB-CD1 4Å; V194-F469 HydrophobicContact CB-CD2 4.48Å; V194-F469 HydrophobicContact CB-CG 3.86Å; V194-F469 HydrophobicContact CG2-CB 3.4Å; V194-F469 HydrophobicContact CG2-CD1 4.43Å; V194-F469 HydrophobicContact CG2-CD2 4.22Å; V194-F469 HydrophobicContact CG2-CG 3.79Å; V194-L473 HydrophobicContact CG1-CD2 4.25Å; V194-L473 HydrophobicContact CG2-CD1 4.45Å; V194-L473 HydrophobicContact CG2-CD2 3.59Å; V194-L473 HydrophobicContact CG2-CG 3.79Å; V194-L476 HydrophobicContact CG1-CD1 4.37Å
195	K	98.1	Very high	96.6	Very high	2 Å²	2	42 Å²	42	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-39.6	175.9	-73.5	178.3	170.1	174.8	0	111.9	L177 L178 E180 P181 V182 E191 R192 R199	L177-K195 WeakPolarHBondContact O-CE 3.27Å; L178-K195 HydrophobicContact CD2-CG 4.29Å; E180-K195 WeakPolarHBondContact O-CE 3.4Å; E180-K195 PolarHBondContact O-NZ 3.09Å; P181-K195 PolarHBondContact O-NZ 2.58Å; V182-K195 HydrophobicContact CG2-CB 4.1Å; V182-K195 HydrophobicContact CG2-CD 3.78Å; E191-K195 HydrophobicContact CG-CD 4.18Å; E191-K195 WeakPolarHBondContact O-CB 3.46Å; E191-K195 WeakPolarHBondContact O-CG 3.46Å; E191-K195 PolarHBondContact O-N 2.63Å; E191-K195 IonicContact OE1-NZ 3.65Å; E191-K195 PolarHBondContact OE1-NZ 2.99Å; R192-K195 PolarHBondContact O-N 3.37Å; K195-R199 WeakPolarHBondContact O-CB 3.3Å; K195-R199 VanDerWaalsContact O-CG 3.25Å; K195-R199 WeakPolarHBondContact O-CG 3.39Å; K195-R199 PolarHBondContact O-N 3.13Å
196	E	97.9	Very high	96.7	Very high	39 Å²	39	38.4 Å²	38.4	18%	0.182	20%	0.198	C	C	.	.	H	α-helix	trans	-71.4	-37.6	176	-73.1	-174	179.1	0	0	112.9	R192 K193 R199 S200 V550 K552	R192-E196 HydrophobicContact CG-CG 4.24Å; R192-E196 WeakPolarHBondContact O-CB 3.31Å; R192-E196 WeakPolarHBondContact O-CG 3.5Å; R192-E196 PolarHBondContact O-N 2.62Å; K193-E196 PolarHBondContact O-N 3Å; E196-R199 PolarHBondContact O-N 3.29Å; E196-S200 PolarHBondContact O-N 2.67Å; E196-V550 HydrophobicContact CB-CG1 4.06Å; E196-K552 HydrophobicContact CB-CB 4.18Å; E196-K552 HydrophobicContact CG-CB 4.3Å
197	F	98.3	Very high	97	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58	-50.9	172.3	178.9	-86.6	0	0	0	110.3	K193 V194 R199 S200 C201 Q464 A465 H468 F469 V550 Y555 N558 I559	K193-F197 VanDerWaalsContact O-CB 3.28Å; K193-F197 WeakPolarHBondContact O-CB 3.28Å; K193-F197 PolarHBondContact O-N 3.02Å; V194-F197 PolarHBondContact O-N 2.8Å; F197-R199 PolarHBondContact O-N 3.26Å; F197-S200 WeakPolarHBondContact O-CB 3.45Å; F197-S200 PolarHBondContact O-N 2.61Å; F197-S200 VanDerWaalsContact O-N 3.11Å; F197-S200 PolarHBondContact O-OG 3.09Å; F197-C201 PolarHBondContact O-N 2.88Å; F197-C201 VanDerWaalsContact O-N 3.1Å; F197-Q464 HydrophobicContact CE1-CB 4.1Å; F197-Q464 HydrophobicContact CZ-CB 4.39Å; F197-A465 HydrophobicContact CD1-CB 4.03Å; F197-A465 HydrophobicContact CE1-CB 4.26Å; F197-H468 HydrophobicContact CE2-CB 4.47Å; F197-H468 HydrophobicContact CZ-CB 4.29Å; F197-H468 AromaticContact CZ-CD2 3.82Å; F197-F469 HydrophobicContact CB-CD2 4.3Å; F197-F469 HydrophobicContact CB-CE2 3.77Å; F197-F469 HydrophobicContact CB-CZ 4.38Å; F197-F469 HydrophobicContact CD1-CD2 4.33Å; F197-F469 HydrophobicContact CD1-CE2 4.28Å; F197-F469 HydrophobicContact CD2-CD2 4.41Å; F197-F469 AromaticContact CD2-CE2 3.61Å; F197-F469 HydrophobicContact CD2-CE2 3.61Å; F197-F469 HydrophobicContact CD2-CZ 4.49Å; F197-F469 HydrophobicContact CE2-CE2 4.25Å; F197-F469 HydrophobicContact CG-CD2 4.1Å; F197-F469 AromaticContact CG-CE2 3.62Å; F197-F469 HydrophobicContact CG-CE2 3.62Å; F197-V550 HydrophobicContact CB-CG1 3.97Å; F197-Y555 HydrophobicContact CE1-CE2 4.13Å; F197-Y555 HydrophobicContact CE2-CE2 4.28Å; F197-Y555 HydrophobicContact CZ-CD2 4.44Å; F197-Y555 AromaticContact CZ-CE2 3.78Å; F197-Y555 HydrophobicContact CZ-CE2 3.78Å; F197-N558 HydrophobicContact CD2-CB 3.75Å; F197-N558 HydrophobicContact CE2-CB 3.98Å; F197-I559 HydrophobicContact CE2-CD1 3.86Å; F197-I559 HydrophobicContact CE2-CG1 4.49Å; F197-I559 HydrophobicContact CZ-CD1 3.57Å
198	Y	98.4	Very high	97.3	Very high	9 Å²	9	36.4 Å²	36.4	4%	0.035	17%	0.174	C	C	.	.	H	α-helix	trans	-57.3	-47.1	176.5	-179.1	-107.6	0	0	0	111.9	L178 L179 V194 S200 C201 I202 G458 C461 L462	L178-Y198 HydrophobicContact CB-CD1 3.82Å; L178-Y198 HydrophobicContact CB-CE1 4.13Å; L178-Y198 HydrophobicContact CB-CG 4.13Å; L178-Y198 HydrophobicContact CD1-CD1 4.28Å; L178-Y198 HydrophobicContact CD1-CD2 3.69Å; L178-Y198 HydrophobicContact CD1-CE2 4.04Å; L178-Y198 HydrophobicContact CD1-CG 3.81Å; L178-Y198 HydrophobicContact CD2-CG 4.26Å; L178-Y198 HydrophobicContact CG-CD1 4.5Å; L178-Y198 HydrophobicContact CG-CG 4.31Å; L179-Y198 HydrophobicContact CD2-CE1 4.07Å; L179-Y198 HydrophobicContact CG-CE1 4.49Å; V194-Y198 WeakPolarHBondContact O-CB 3.48Å; V194-Y198 PolarHBondContact O-N 3.16Å; Y198-S200 VanDerWaalsContact C-N 3.29Å; Y198-S200 PolarHBondContact O-N 3.01Å; Y198-C201 WeakPolarHBondContact O-CB 3.44Å; Y198-C201 PolarHBondContact O-N 3.43Å; Y198-C201 VanDerWaalsContact O-N 3.08Å; Y198-I202 HydrophobicContact CD1-CD1 4.32Å; Y198-I202 HydrophobicContact CD1-CG2 4.39Å; Y198-I202 HydrophobicContact CD2-CG2 4.33Å; Y198-I202 HydrophobicContact CE1-CD1 4.05Å; Y198-I202 HydrophobicContact CE1-CG2 3.95Å; Y198-I202 HydrophobicContact CE2-CG2 3.89Å; Y198-I202 PolarHBondContact O-N 2.7Å; Y198-G458 WeakPolarHBondContact CE2-O 3.25Å; Y198-G458 VanDerWaalsContact OH-CA 3.32Å; Y198-G458 WeakPolarHBondContact OH-CA 3.3Å; Y198-G458 PolarHBondContact OH-O 2.9Å; Y198-C461 HydrophobicContact CD2-CB 3.83Å; Y198-C461 HydrophobicContact CE2-CB 3.7Å; Y198-L462 HydrophobicContact CE2-CB 4.37Å
199	R	98.1	Very high	97.5	Very high	77 Å²	77	40 Å²	40	29%	0.291	19%	0.185	S	C	.	.	H	α-helix	trans	-59.8	-36.4	176	-74.1	172.8	-172.8	135	5.8	113.2	E180 K195 E196 F197 C201 I202 N203	E180-R199 PolarHBondContact O-NH2 2.7Å; K195-R199 WeakPolarHBondContact O-CB 3.3Å; K195-R199 VanDerWaalsContact O-CG 3.25Å; K195-R199 WeakPolarHBondContact O-CG 3.39Å; K195-R199 PolarHBondContact O-N 3.13Å; E196-R199 PolarHBondContact O-N 3.29Å; F197-R199 PolarHBondContact O-N 3.26Å; R199-C201 VanDerWaalsContact C-N 3.32Å; R199-I202 WeakPolarHBondContact O-CG1 3.41Å; R199-N203 WeakPolarHBondContact O-CB 3.21Å; R199-N203 PolarHBondContact O-N 2.68Å
200	S	98.1	Very high	97.4	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-35.5	175.7	76.1	0	0	0	0	112.3	E196 F197 Y198 K552 N558	E196-S200 PolarHBondContact O-N 2.67Å; F197-S200 WeakPolarHBondContact O-CB 3.45Å; F197-S200 PolarHBondContact O-N 2.61Å; F197-S200 VanDerWaalsContact O-N 3.11Å; F197-S200 PolarHBondContact O-OG 3.09Å; Y198-S200 VanDerWaalsContact C-N 3.29Å; Y198-S200 PolarHBondContact O-N 3.01Å; S200-K552 WeakPolarHBondContact CA-O 3.16Å; S200-K552 WeakPolarHBondContact CB-O 3.38Å; S200-N558 PolarHBondContact OG-ND2 3.47Å
201	C	97.8	Very high	97.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-74	-44.1	-179.1	-178.7	0	0	0	0	112.7	F197 Y198 R199 N203 I207 C461 Y555	F197-C201 PolarHBondContact O-N 2.88Å; F197-C201 VanDerWaalsContact O-N 3.1Å; Y198-C201 WeakPolarHBondContact O-CB 3.44Å; Y198-C201 PolarHBondContact O-N 3.43Å; Y198-C201 VanDerWaalsContact O-N 3.08Å; R199-C201 VanDerWaalsContact C-N 3.32Å; C201-N203 PolarHBondContact O-N 3.18Å; C201-I207 WeakPolarHBondContact O-CD1 3.46Å; C201-C461 HydrophobicContact CB-CB 3.61Å; C201-C461 WeakPolarHBondContact CB-SG 3.35Å; C201-C461 PolarHBondContact O-SG 3.04Å; C201-C461 VanDerWaalsContact O-SG 3.4Å; C201-C461 WeakPolarHBondContact SG-CA 3.46Å; C201-C461 WeakPolarHBondContact SG-CB 3.37Å; C201-C461 CovalentContact SG-SG 2.04Å; C201-C461 PolarHBondContact SG-SG 3.43Å; C201-Y555 HydrophobicContact CB-CD2 3.55Å; C201-Y555 HydrophobicContact CB-CE2 3.48Å; C201-Y555 VanDerWaalsContact CB-CE2 3.48Å; C201-Y555 HydrophobicContact CB-CG 4.24Å
202	I	97.3	Very high	97.3	Very high	56 Å²	56	45.2 Å²	45.2	29%	0.287	22%	0.219	S	C	.	.	H	α-helix	trans	-71.6	-15.4	-179.1	65.9	178.6	0	0	0	112.7	Y198 R199 I204 L457 C461	Y198-I202 HydrophobicContact CD1-CD1 4.32Å; Y198-I202 HydrophobicContact CD1-CG2 4.39Å; Y198-I202 HydrophobicContact CD2-CG2 4.33Å; Y198-I202 HydrophobicContact CE1-CD1 4.05Å; Y198-I202 HydrophobicContact CE1-CG2 3.95Å; Y198-I202 HydrophobicContact CE2-CG2 3.89Å; Y198-I202 PolarHBondContact O-N 2.7Å; R199-I202 WeakPolarHBondContact O-CG1 3.41Å; I202-I204 PolarHBondContact O-N 3.48Å; I202-L457 WeakPolarHBondContact O-CD2 3.39Å; I202-C461 HydrophobicContact CG2-CB 3.75Å; I202-C461 PolarHBondContact N-SG 2.85Å; I202-C461 VanDerWaalsContact N-SG 3.44Å
203	N	97.1	Very high	97.2	Very high	52 Å²	52	49 Å²	49	28%	0.278	24%	0.238	S	C	.	.			trans	-80	69.1	176.9	-172.5	-0.2	0	0	0	111	R199 C201 K205 D206 I207	R199-N203 WeakPolarHBondContact O-CB 3.21Å; R199-N203 PolarHBondContact O-N 2.68Å; C201-N203 PolarHBondContact O-N 3.18Å; N203-K205 PolarHBondContact O-N 3.07Å; N203-K205 VanDerWaalsContact O-N 3.16Å; N203-D206 PolarHBondContact ND2-OD2 3.07Å; N203-D206 PolarHBondContact O-N 2.86Å; N203-I207 PolarHBondContact O-N 3.49Å
204	I	95.9	Very high	97.2	Very high	41 Å²	41	49.7 Å²	49.7	21%	0.21	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-27.1	-176.6	-162.9	62.4	0	0	0	112.8	I202 D206 I207 D208 T435 L457	I202-I204 PolarHBondContact O-N 3.48Å; I204-D206 PolarHBondContact O-N 2.94Å; I204-I207 HydrophobicContact CD1-CB 4.36Å; I204-I207 HydrophobicContact CD1-CD1 4.43Å; I204-I207 PolarHBondContact O-N 3.34Å; I204-D208 WeakPolarHBondContact O-CB 3.49Å; I204-D208 PolarHBondContact O-N 3.5Å; I204-T435 WeakPolarHBondContact CG1-OG1 3.41Å; I204-L457 HydrophobicContact CB-CD2 3.92Å; I204-L457 HydrophobicContact CG2-CD2 4.28Å
205	K	96.8	Very high	97.1	Very high	168 Å²	168	49.7 Å²	49.7	73%	0.73	24%	0.242	S	C	*	.	H	α-helix	trans	-61.4	-43.3	178.2	-66	-177.5	-179.9	179.6	0	112.5	N203 K209	N203-K205 PolarHBondContact O-N 3.07Å; N203-K205 VanDerWaalsContact O-N 3.16Å; K205-K209 WeakPolarHBondContact O-CB 3.34Å; K205-K209 PolarHBondContact O-N 3.21Å
206	D	95.9	Very high	96.8	Very high	59 Å²	59	51.9 Å²	51.9	32%	0.316	26%	0.255	S	S	.	.	H	α-helix	trans	-71.3	-36	178	-77.3	-16.1	0	0	0	111.1	N203 I204 L210	N203-D206 PolarHBondContact ND2-OD2 3.07Å; N203-D206 PolarHBondContact O-N 2.86Å; I204-D206 PolarHBondContact O-N 2.94Å; D206-L210 WeakPolarHBondContact O-CG 3.41Å; D206-L210 PolarHBondContact O-N 3.31Å
207	I	97.5	Very high	96.7	Very high	13 Å²	13	56.5 Å²	56.5	7%	0.067	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-46.7	176.3	-58.1	174.1	0	0	0	110.6	C201 N203 I204 K209 L210 G211 L433 Y555	C201-I207 WeakPolarHBondContact O-CD1 3.46Å; N203-I207 PolarHBondContact O-N 3.49Å; I204-I207 HydrophobicContact CD1-CB 4.36Å; I204-I207 HydrophobicContact CD1-CD1 4.43Å; I204-I207 PolarHBondContact O-N 3.34Å; I207-K209 VanDerWaalsContact C-N 3.32Å; I207-K209 PolarHBondContact O-N 2.95Å; I207-L210 WeakPolarHBondContact O-CB 3.27Å; I207-L210 PolarHBondContact O-N 3.22Å; I207-L210 VanDerWaalsContact O-N 3.1Å; I207-G211 PolarHBondContact O-N 3.12Å; I207-L433 VanDerWaalsContact CG2-C 3.49Å; I207-L433 WeakPolarHBondContact CG2-O 3.3Å; I207-Y555 HydrophobicContact CD1-CD1 3.72Å; I207-Y555 HydrophobicContact CD1-CE1 4.5Å; I207-Y555 HydrophobicContact CD1-CG 4.14Å; I207-Y555 HydrophobicContact CG1-CD1 4.44Å
208	D	97.6	Very high	96.5	Very high	69 Å²	69	56.9 Å²	56.9	37%	0.369	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-36.5	178.5	-76.7	-16.9	0	0	0	112.1	I204 L210 G211 S434 T435	I204-D208 WeakPolarHBondContact O-CB 3.49Å; I204-D208 PolarHBondContact O-N 3.5Å; D208-L210 PolarHBondContact O-N 2.81Å; D208-G211 PolarHBondContact O-N 2.95Å; D208-S434 WeakPolarHBondContact OD1-CA 3.34Å; D208-S434 VanDerWaalsContact OD1-CB 3.31Å; D208-S434 WeakPolarHBondContact OD1-CB 3.09Å; D208-T435 WeakPolarHBondContact OD1-CB 3.5Å; D208-T435 PolarHBondContact OD1-N 3.03Å; D208-T435 PolarHBondContact OD1-OG1 3.43Å; D208-T435 PolarHBondContact OD2-OG1 2.93Å; D208-T435 VanDerWaalsContact OD2-OG1 3.09Å
209	K	97.2	Very high	96.2	Very high	173 Å²	173	56.7 Å²	56.7	75%	0.752	28%	0.279	S	S	*	.	H	α-helix	trans	-61.5	-33.5	173.6	-177.3	-180	177.4	-177.3	0	112.5	K205 I207	K205-K209 WeakPolarHBondContact O-CB 3.34Å; K205-K209 PolarHBondContact O-N 3.21Å; I207-K209 VanDerWaalsContact C-N 3.32Å; I207-K209 PolarHBondContact O-N 2.95Å
210	L	96.6	Very high	95.8	Very high	79 Å²	79	57.5 Å²	57.5	41%	0.414	29%	0.289	S	S	.	.	H	α-helix	trans	-78	-30.7	176.8	-69.2	172.8	0	0	0	112.1	D206 I207 D208 S212 K213 P214	D206-L210 WeakPolarHBondContact O-CG 3.41Å; D206-L210 PolarHBondContact O-N 3.31Å; I207-L210 WeakPolarHBondContact O-CB 3.27Å; I207-L210 PolarHBondContact O-N 3.22Å; I207-L210 VanDerWaalsContact O-N 3.1Å; D208-L210 PolarHBondContact O-N 2.81Å; L210-S212 PolarHBondContact O-N 3.39Å; L210-K213 WeakPolarHBondContact O-CB 3.31Å; L210-K213 VanDerWaalsContact O-CG 3.31Å; L210-K213 WeakPolarHBondContact O-CG 3.16Å; L210-K213 PolarHBondContact O-N 3.49Å; L210-K213 VanDerWaalsContact O-N 3.12Å; L210-P214 HydrophobicContact CB-CG 4Å; L210-P214 HydrophobicContact CD1-CG 4.29Å
211	G	96.1	Very high	95.4	Very high	17 Å²	17	59.7 Å²	59.7	18%	0.175	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-128.7	176.9	0	0	0	0	0	112	I207 D208	I207-G211 PolarHBondContact O-N 3.12Å; D208-G211 PolarHBondContact O-N 2.95Å
212	S	95.8	Very high	95.1	Very high	38 Å²	38	59.7 Å²	59.7	27%	0.266	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.4	177.2	52.5	0	0	0	0	114.5	L210 P214 M215 T216	L210-S212 PolarHBondContact O-N 3.39Å; S212-P214 VanDerWaalsContact C-CD 3.44Å; S212-M215 WeakPolarHBondContact O-CB 3.43Å; S212-M215 PolarHBondContact O-N 3.13Å; S212-T216 PolarHBondContact O-N 3.1Å; S212-T216 PolarHBondContact O-OG1 3.16Å
213	K	95.8	Very high	94.6	Very high	133 Å²	133	57.7 Å²	57.7	58%	0.578	30%	0.297	S	S	*	.	H	α-helix	trans	-51	-45.3	-169.8	-64.7	176.7	179.5	-179.2	0	114.1	L210 M215 T216 E217	L210-K213 WeakPolarHBondContact O-CB 3.31Å; L210-K213 VanDerWaalsContact O-CG 3.31Å; L210-K213 WeakPolarHBondContact O-CG 3.16Å; L210-K213 PolarHBondContact O-N 3.49Å; L210-K213 VanDerWaalsContact O-N 3.12Å; K213-M215 VanDerWaalsContact C-N 3.27Å; K213-M215 PolarHBondContact O-N 2.98Å; K213-T216 PolarHBondContact O-N 3.44Å; K213-T216 VanDerWaalsContact O-N 3.17Å; K213-E217 WeakPolarHBondContact O-CG 3.4Å; K213-E217 PolarHBondContact O-N 3.38Å
214	P	96.8	Very high	93.9	Very high	16 Å²	16	55.5 Å²	55.5	10%	0.104	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-34.1	-180	-21.7	34.4	0	0	0	113.2	L210 S212 V218 L433 F556	L210-P214 HydrophobicContact CB-CG 4Å; L210-P214 HydrophobicContact CD1-CG 4.29Å; S212-P214 VanDerWaalsContact C-CD 3.44Å; P214-V218 WeakPolarHBondContact O-CG2 3.39Å; P214-V218 PolarHBondContact O-N 2.93Å; P214-L433 HydrophobicContact CB-CD2 4.29Å; P214-L433 HydrophobicContact CG-CD2 4.49Å; P214-F556 HydrophobicContact CB-CB 4.03Å; P214-F556 HydrophobicContact CB-CD1 3.34Å; P214-F556 HydrophobicContact CB-CD2 4.17Å; P214-F556 HydrophobicContact CB-CE1 3.71Å; P214-F556 HydrophobicContact CB-CE2 4.49Å; P214-F556 HydrophobicContact CB-CG 3.58Å; P214-F556 HydrophobicContact CB-CZ 4.28Å; P214-F556 HydrophobicContact CG-CB 4.44Å; P214-F556 HydrophobicContact CG-CG 4.43Å; P214-F556 WeakPolarHBondContact O-CE1 3.47Å
215	M	96.3	Very high	93.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-73.5	-41.7	174.8	-178.3	67.6	78.6	0	0	111.2	S212 K213 E217 V218 L219 L321 V426 L429 L433	S212-M215 WeakPolarHBondContact O-CB 3.43Å; S212-M215 PolarHBondContact O-N 3.13Å; K213-M215 VanDerWaalsContact C-N 3.27Å; K213-M215 PolarHBondContact O-N 2.98Å; M215-E217 VanDerWaalsContact C-N 3.29Å; M215-E217 PolarHBondContact O-N 3.37Å; M215-V218 WeakPolarHBondContact O-CB 3.14Å; M215-V218 PolarHBondContact O-N 3.15Å; M215-V218 VanDerWaalsContact O-N 3.08Å; M215-L219 HydrophobicContact CG-CD1 3.97Å; M215-L219 HydrophobicContact CG-CG 4.21Å; M215-L219 VanDerWaalsContact O-CG 3.32Å; M215-L219 WeakPolarHBondContact O-CG 3.19Å; M215-L219 PolarHBondContact O-N 2.48Å; M215-L219 HydrophobicContact SD-CG 4.41Å; M215-L321 HydrophobicContact CB-CD2 3.89Å; M215-L321 HydrophobicContact CG-CD1 4.14Å; M215-L321 HydrophobicContact CG-CD2 3.55Å; M215-V426 HydrophobicContact SD-CG2 4.27Å; M215-L429 HydrophobicContact CE-CB 3.49Å; M215-L429 VanDerWaalsContact CE-CB 3.49Å; M215-L429 HydrophobicContact SD-CB 4.4Å; M215-L433 HydrophobicContact CB-CD1 3.74Å; M215-L433 HydrophobicContact CB-CD2 4.08Å; M215-L433 HydrophobicContact CE-CD1 3.87Å; M215-L433 HydrophobicContact CG-CD1 4.3Å
216	T	92.9	Very high	91.7	Very high	47 Å²	47	47.6 Å²	47.6	29%	0.288	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-42.4	176.6	-52.8	0	0	0	0	111.2	S212 K213 V218 L219 D220	S212-T216 PolarHBondContact O-N 3.1Å; S212-T216 PolarHBondContact O-OG1 3.16Å; K213-T216 PolarHBondContact O-N 3.44Å; K213-T216 VanDerWaalsContact O-N 3.17Å; T216-V218 VanDerWaalsContact C-N 3.32Å; T216-V218 PolarHBondContact O-N 3.48Å; T216-L219 PolarHBondContact O-N 2.99Å; T216-D220 WeakPolarHBondContact O-CB 3.49Å; T216-D220 PolarHBondContact O-N 2.84Å
217	E	94.1	Very high	89.6	Confident	137 Å²	137	50.3 Å²	50.3	64%	0.64	27%	0.266	S	S	*	.	H	α-helix	trans	-59.4	-40.2	174.1	-70.7	172	-166.1	0	0	112.7	K213 M215 S221	K213-E217 WeakPolarHBondContact O-CG 3.4Å; K213-E217 PolarHBondContact O-N 3.38Å; M215-E217 VanDerWaalsContact C-N 3.29Å; M215-E217 PolarHBondContact O-N 3.37Å; E217-S221 PolarHBondContact O-N 2.72Å; E217-S221 VanDerWaalsContact O-N 3.08Å
218	V	95.1	Very high	86.8	Confident	8 Å²	8	58 Å²	58	5%	0.048	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-47.1	174.8	165.5	0	0	0	0	110.9	P214 M215 T216 S221 C222 F259 I425 L429 F556 L560	P214-V218 WeakPolarHBondContact O-CG2 3.39Å; P214-V218 PolarHBondContact O-N 2.93Å; M215-V218 WeakPolarHBondContact O-CB 3.14Å; M215-V218 PolarHBondContact O-N 3.15Å; M215-V218 VanDerWaalsContact O-N 3.08Å; T216-V218 VanDerWaalsContact C-N 3.32Å; T216-V218 PolarHBondContact O-N 3.48Å; V218-S221 WeakPolarHBondContact O-CB 3.4Å; V218-S221 PolarHBondContact O-N 3.28Å; V218-S221 PolarHBondContact O-OG 3.49Å; V218-C222 PolarHBondContact O-N 3.18Å; V218-C222 PolarHBondContact O-SG 3.33Å; V218-C222 VanDerWaalsContact O-SG 3.33Å; V218-F259 HydrophobicContact CB-CE1 4.5Å; V218-F259 HydrophobicContact CB-CZ 4.43Å; V218-F259 HydrophobicContact CG1-CD1 4.34Å; V218-F259 HydrophobicContact CG1-CE1 3.78Å; V218-F259 HydrophobicContact CG1-CE2 4.04Å; V218-F259 HydrophobicContact CG1-CZ 3.63Å; V218-F259 HydrophobicContact CG2-CE1 4.01Å; V218-F259 HydrophobicContact CG2-CZ 4.34Å; V218-I425 HydrophobicContact CG1-CG2 3.7Å; V218-L429 HydrophobicContact CG1-CD1 4.36Å; V218-F556 HydrophobicContact CG2-CE1 3.89Å; V218-F556 HydrophobicContact CG2-CZ 4.27Å; V218-L560 HydrophobicContact CG2-CD1 4.13Å
219	L	92.3	Very high	84.3	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-44.1	-179.7	-67.2	175.2	0	0	0	111.8	M215 T216 S221 C222 G223 G224 L321 L422 V426	M215-L219 HydrophobicContact CG-CD1 3.97Å; M215-L219 HydrophobicContact CG-CG 4.21Å; M215-L219 VanDerWaalsContact O-CG 3.32Å; M215-L219 WeakPolarHBondContact O-CG 3.19Å; M215-L219 PolarHBondContact O-N 2.48Å; M215-L219 HydrophobicContact SD-CG 4.41Å; T216-L219 PolarHBondContact O-N 2.99Å; L219-S221 VanDerWaalsContact C-N 3.28Å; L219-S221 PolarHBondContact O-N 3.39Å; L219-C222 CarbonylContact O-C 3.6Å; L219-C222 WeakPolarHBondContact O-CA 3.26Å; L219-C222 WeakPolarHBondContact O-CB 3.46Å; L219-C222 PolarHBondContact O-N 3.01Å; L219-G223 PolarHBondContact O-N 2.8Å; L219-G224 WeakPolarHBondContact O-CA 3.5Å; L219-G224 PolarHBondContact O-N 3.24Å; L219-L321 HydrophobicContact CD1-CD1 4.16Å; L219-L321 HydrophobicContact CD1-CD2 4.42Å; L219-L422 HydrophobicContact CD2-CB 4.1Å; L219-L422 HydrophobicContact CD2-CD1 4.32Å; L219-L422 HydrophobicContact CD2-CD2 4.12Å; L219-L422 HydrophobicContact CD2-CG 4.41Å; L219-V426 HydrophobicContact CD1-CG2 4.23Å; L219-V426 HydrophobicContact CD2-CG2 3.93Å
220	D	89.1	Confident	81.8	Confident	93 Å²	93	52.3 Å²	52.3	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-41.3	176.5	-70.4	-15.9	0	0	0	110.9	T216 C222 G223	T216-D220 WeakPolarHBondContact O-CB 3.49Å; T216-D220 PolarHBondContact O-N 2.84Å; D220-C222 PolarHBondContact O-N 3.39Å; D220-G223 PolarHBondContact O-N 2.91Å
221	S	90.4	Very high	79.3	Confident	49 Å²	49	51.3 Å²	51.3	34%	0.343	30%	0.302	S	S	.	.	H	α-helix	trans	-57.6	-35.8	173.6	87.8	0	0	0	0	111.1	E217 V218 L219 G223 R254	E217-S221 PolarHBondContact O-N 2.72Å; E217-S221 VanDerWaalsContact O-N 3.08Å; V218-S221 WeakPolarHBondContact O-CB 3.4Å; V218-S221 PolarHBondContact O-N 3.28Å; V218-S221 PolarHBondContact O-OG 3.49Å; L219-S221 VanDerWaalsContact C-N 3.28Å; L219-S221 PolarHBondContact O-N 3.39Å; S221-G223 VanDerWaalsContact C-N 3.29Å; S221-G223 PolarHBondContact O-N 3.4Å; S221-R254 PolarHBondContact O-NH1 2.91Å; S221-R254 PolarHBondContact O-NH2 3.34Å
222	C	91.3	Very high	77	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	10.6	-179.7	-61	0	0	0	0	114.1	V218 L219 D220 P246 L251 F259 H418 L422	V218-C222 PolarHBondContact O-N 3.18Å; V218-C222 PolarHBondContact O-SG 3.33Å; V218-C222 VanDerWaalsContact O-SG 3.33Å; L219-C222 CarbonylContact O-C 3.6Å; L219-C222 WeakPolarHBondContact O-CA 3.26Å; L219-C222 WeakPolarHBondContact O-CB 3.46Å; L219-C222 PolarHBondContact O-N 3.01Å; D220-C222 PolarHBondContact O-N 3.39Å; C222-P246 WeakPolarHBondContact O-CG 3.27Å; C222-L251 HydrophobicContact CB-CD1 3.71Å; C222-F259 VanDerWaalsContact SG-CE2 3.59Å; C222-H418 PolarHBondContact O-CE1 3.01Å; C222-H418 VanDerWaalsContact O-CE1 3.23Å; C222-L422 HydrophobicContact CB-CD2 3.36Å
223	G	85.7	Confident	74.8	Confident	14 Å²	14	55.2 Å²	55.2	14%	0.144	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	6.6	179.8	0	0	0	0	0	115	L219 D220 S221	L219-G223 PolarHBondContact O-N 2.8Å; D220-G223 PolarHBondContact O-N 2.91Å; S221-G223 VanDerWaalsContact C-N 3.29Å; S221-G223 PolarHBondContact O-N 3.4Å
224	G	83.5	Confident	72.6	Confident	6 Å²	6	53.5 Å²	53.5	6%	0.062	33%	0.333	C	S	.	.			trans	68	174	173	0	0	0	0	0	114.8	L219 H418 L422	L219-G224 WeakPolarHBondContact O-CA 3.5Å; L219-G224 PolarHBondContact O-N 3.24Å; G224-H418 PolarHBondContact O-NE2 2.96Å; G224-L422 VanDerWaalsContact O-CD1 3.22Å; G224-L422 WeakPolarHBondContact O-CD1 3.42Å
225	W	78.3	Confident	70.1	Confident	17 Å²	17	56 Å²	56	6%	0.064	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-89.7	158.6	161.8	-67.9	66.2	0	0	0	108	L227 L318 A323 K329 I333 N419 L422 W423	W225-L227 PolarHBondContact O-N 3.33Å; W225-L227 VanDerWaalsContact O-N 3.09Å; W225-L318 HydrophobicContact CD2-CD2 4.42Å; W225-L318 HydrophobicContact CE3-CD2 4.04Å; W225-L318 HydrophobicContact CH2-CD1 4.13Å; W225-L318 HydrophobicContact CH2-CD2 3.06Å; W225-L318 HydrophobicContact CH2-CG 4.21Å; W225-L318 HydrophobicContact CZ2-CD2 3.44Å; W225-L318 VanDerWaalsContact CZ2-CD2 3.44Å; W225-L318 HydrophobicContact CZ3-CD1 3.93Å; W225-L318 HydrophobicContact CZ3-CD2 3.35Å; W225-L318 HydrophobicContact CZ3-CG 4.22Å; W225-A323 HydrophobicContact CB-CB 4.3Å; W225-A323 HydrophobicContact CD2-CB 3.94Å; W225-A323 HydrophobicContact CE3-CB 3.54Å; W225-A323 HydrophobicContact CG-CB 4.24Å; W225-A323 HydrophobicContact CZ3-CB 4.3Å; W225-K329 HydrophobicContact CE3-CD 3.58Å; W225-K329 HydrophobicContact CZ3-CB 4.27Å; W225-K329 HydrophobicContact CZ3-CD 3.58Å; W225-K329 HydrophobicContact CZ3-CG 4.5Å; W225-I333 HydrophobicContact CH2-CD1 4.06Å; W225-N419 HydrophobicContact CH2-CB 4.19Å; W225-N419 HydrophobicContact CZ3-CB 4.13Å; W225-L422 HydrophobicContact CD2-CD1 4.45Å; W225-L422 HydrophobicContact CG-CD1 4.19Å; W225-L422 HydrophobicContact CZ2-CB 3.7Å; W225-W423 HydrophobicContact CH2-CB 4.5Å
226	D	68.3	Low	68.1	Low	27 Å²	27	56.3 Å²	56.3	14%	0.144	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-57.7	120.4	172.3	-48.4	-56.2	0	0	0	108.7	R245 H324 K329	D226-R245 IonicContact OD1-CZ 2.68Å; D226-R245 VanDerWaalsContact OD1-CZ 3.29Å; D226-R245 IonicContact OD1-NH1 2.88Å; D226-R245 PolarHBondContact OD1-NH1 3.02Å; D226-R245 IonicContact OD1-NH2 3.12Å; D226-R245 PolarHBondContact OD1-NH2 2.71Å; D226-H324 PolarHBondContact O-CD2 2.79Å; D226-H324 VanDerWaalsContact O-CD2 3.3Å; D226-K329 IonicContact OD2-NZ 3.8Å; D226-K329 PolarHBondContact OD2-NZ 2.67Å
227	L	50.8	Low	66.5	Low	116 Å²	116	56.1 Å²	56.1	61%	0.607	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-98.9	165.2	176.5	-67.5	172	0	0	0	110.6	W225	W225-L227 PolarHBondContact O-N 3.33Å; W225-L227 VanDerWaalsContact O-N 3.09Å
228	E	40	Very low	64.8	Low	173 Å²	173	56.5 Å²	56.5	81%	0.808	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	130.8	-163.5	-144.1	165.2	-143.3	0	0	114.4	H324	E228-H324 WeakPolarHBondContact CA-NE2 3.3Å; E228-H324 WeakPolarHBondContact CB-NE2 3.36Å; E228-H324 PolarHBondContact N-CD2 2.83Å; E228-H324 PolarHBondContact N-NE2 3.21Å; E228-H324 IonicContact OE1-CE1 2.71Å
229	G	44	Very low	63.1	Low	74 Å²	74	61.3 Å²	61.3	76%	0.763	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.7	-6	174	0	0	0	0	0	117.1
230	A	44.8	Very low	61.3	Low	49 Å²	49	71.1 Å²	71.1	41%	0.405	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-80.5	128.7	175.4	0	0	0	0	0	111.7
231	P	43.8	Very low	59.8	Low	59 Å²	59	71.9 Å²	71.9	38%	0.383	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-61.2	142.9	177.5	22.9	-31	0	0	0	111.3	G233 G236	P231-G233 PolarHBondContact O-N 3.42Å; P231-G236 WeakPolarHBondContact O-CA 3.38Å
232	S	47.4	Very low	58.3	Low	109 Å²	109	70.9 Å²	70.9	76%	0.762	42%	0.417	S	S	*	.	S	Bend	trans	-64.4	126.6	179.6	-38.4	0	0	0	0	110.8
233	G	51.1	Low	56.8	Low	28 Å²	28	75.5 Å²	75.5	29%	0.289	45%	0.446	S	S	.	.	S	Bend	trans	115.3	-169.9	173.6	0	0	0	0	0	114.7	P231 A235 G236	P231-G233 PolarHBondContact O-N 3.42Å; G233-A235 PolarHBondContact O-N 3.09Å; G233-A235 VanDerWaalsContact O-N 3.16Å; G233-G236 PolarHBondContact O-N 2.97Å; G233-G236 VanDerWaalsContact O-N 3.16Å
234	P	48.7	Very low	55.9	Low	96 Å²	96	84.2 Å²	84.2	62%	0.623	48%	0.483	S	S	*	.	H	α-helix	trans	-54.4	-32.9	177.7	-21.3	30.9	0	0	0	112.4	G236 W237 E238	P234-G236 PolarHBondContact O-N 2.61Å; P234-W237 PolarHBondContact O-N 3.36Å; P234-W237 VanDerWaalsContact O-N 3.1Å; P234-E238 PolarHBondContact O-N 3.24Å
235	A	45.1	Very low	55.6	Low	68 Å²	68	86.2 Å²	86.2	56%	0.562	49%	0.489	S	S	*	.	H	α-helix	trans	-63.3	-19.2	-179.2	0	0	0	0	0	115	G233 R239	G233-A235 PolarHBondContact O-N 3.09Å; G233-A235 VanDerWaalsContact O-N 3.16Å; A235-R239 WeakPolarHBondContact O-CG 3.45Å
236	G	53.9	Low	55.9	Low	7 Å²	7	86.6 Å²	86.6	7%	0.072	49%	0.494	C	S	.	.	H	α-helix	trans	-96	-27	171.9	0	0	0	0	0	113.6	P231 G233 P234	P231-G236 WeakPolarHBondContact O-CA 3.38Å; G233-G236 PolarHBondContact O-N 2.97Å; G233-G236 VanDerWaalsContact O-N 3.16Å; P234-G236 PolarHBondContact O-N 2.61Å
237	W	57.8	Low	56.9	Low	44 Å²	44	88.8 Å²	88.8	17%	0.167	51%	0.505	C	S	.	.	H	α-helix	trans	-78.5	-29.9	-178.4	-155.9	-65.9	0	0	0	112.7	P234 R245 R415 H418	P234-W237 PolarHBondContact O-N 3.36Å; P234-W237 VanDerWaalsContact O-N 3.1Å; W237-R245 VanDerWaalsContact CE3-NH1 3.26Å; W237-R415 HydrophobicContact CD2-CB 3.79Å; W237-R415 HydrophobicContact CD2-CG 4.35Å; W237-R415 HydrophobicContact CE3-CB 3.26Å; W237-R415 HydrophobicContact CE3-CG 3.35Å; W237-R415 HydrophobicContact CH2-CB 3.75Å; W237-R415 HydrophobicContact CH2-CG 3.74Å; W237-R415 WeakPolarHBondContact CH2-O 3.1Å; W237-R415 VanDerWaalsContact CZ2-CA 3.44Å; W237-R415 HydrophobicContact CZ2-CB 4.17Å; W237-R415 HydrophobicContact CZ3-CB 3.28Å; W237-R415 HydrophobicContact CZ3-CG 3.01Å; W237-H418 HydrophobicContact CH2-CB 3.64Å; W237-H418 AromaticContact CH2-CD2 3.87Å; W237-H418 AromaticContact CH2-CG 3.88Å; W237-H418 HydrophobicContact CZ2-CB 3.46Å; W237-H418 VanDerWaalsContact CZ2-CB 3.46Å; W237-H418 AromaticContact CZ2-CG 3.73Å
238	E	58.4	Low	58.9	Low	144 Å²	144	85.8 Å²	85.8	67%	0.673	49%	0.487	S	S	*	.	S	Bend	trans	-107.9	15	-173.7	-60.8	-175.8	161.8	0	0	113.3	P234	P234-E238 PolarHBondContact O-N 3.24Å
239	R	59.7	Low	61.5	Low	110 Å²	110	77.9 Å²	77.9	42%	0.415	45%	0.451	S	S	.	.			trans	-69.4	143.7	176.6	-59.1	177.9	54	150.2	-3.3	111	A235 D241 A242	A235-R239 WeakPolarHBondContact O-CG 3.45Å; R239-D241 WeakPolarHBondContact CB-OD1 3.28Å; R239-D241 IonicContact CZ-OD1 3.5Å; R239-D241 IonicContact CZ-OD2 3.53Å; R239-D241 IonicContact NE-OD1 3.2Å; R239-D241 PolarHBondContact NE-OD1 3.43Å; R239-D241 IonicContact NE-OD2 2.76Å; R239-D241 PolarHBondContact NE-OD2 2.7Å; R239-D241 IonicContact NH2-OD1 3.12Å; R239-D241 IonicContact NH2-OD2 3.77Å; R239-D241 PolarHBondContact NH2-OD2 3.04Å; R239-D241 PolarHBondContact O-N 3.11Å; R239-A242 HydrophobicContact CB-CB 4.43Å; R239-A242 WeakPolarHBondContact O-CB 3.47Å; R239-A242 PolarHBondContact O-N 3.37Å; R239-A242 VanDerWaalsContact O-N 3.11Å
240	E	55.4	Low	63.9	Low	210 Å²	210	76 Å²	76	98%	0.981	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.2	173.1	-88.3	-179	150.4	0	0	113.5
241	D	56.7	Low	66.3	Low	109 Å²	109	73.8 Å²	73.8	58%	0.583	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	3.3	178.2	64.2	-11.3	0	0	0	114	R239	R239-D241 WeakPolarHBondContact CB-OD1 3.28Å; R239-D241 IonicContact CZ-OD1 3.5Å; R239-D241 IonicContact CZ-OD2 3.53Å; R239-D241 IonicContact NE-OD1 3.2Å; R239-D241 PolarHBondContact NE-OD1 3.43Å; R239-D241 IonicContact NE-OD2 2.76Å; R239-D241 PolarHBondContact NE-OD2 2.7Å; R239-D241 IonicContact NH2-OD1 3.12Å; R239-D241 IonicContact NH2-OD2 3.77Å; R239-D241 PolarHBondContact NH2-OD2 3.04Å; R239-D241 PolarHBondContact O-N 3.11Å
242	A	58.5	Low	68.8	Low	29 Å²	29	71 Å²	71	24%	0.24	39%	0.385	C	S	.	.	S	Bend	trans	-71.1	147	174.9	0	0	0	0	0	111.1	R239 Q244	R239-A242 HydrophobicContact CB-CB 4.43Å; R239-A242 WeakPolarHBondContact O-CB 3.47Å; R239-A242 PolarHBondContact O-N 3.37Å; R239-A242 VanDerWaalsContact O-N 3.11Å; A242-Q244 PolarHBondContact O-N 2.59Å
243	P	60.2	Low	71.2	Confident	96 Å²	96	67.3 Å²	67.3	62%	0.623	36%	0.355	S	S	*	.			trans	-54.8	136.3	173.7	-21.6	30.4	0	0	0	111	R245	P243-R245 PolarHBondContact O-N 3.08Å
244	Q	67.3	Low	73.3	Confident	197 Å²	197	69 Å²	69	92%	0.921	35%	0.353	S	S	*	.			trans	-62.1	109.6	177.4	-168.5	175.8	12.3	0	0	109.7	A242	A242-Q244 PolarHBondContact O-N 2.59Å
245	R	77.1	Confident	75.6	Confident	49 Å²	49	64.5 Å²	64.5	19%	0.185	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-86.8	145	179	-65.3	-178.4	-172.5	-176.9	1.1	110.5	D226 W237 P243	D226-R245 IonicContact OD1-CZ 2.68Å; D226-R245 VanDerWaalsContact OD1-CZ 3.29Å; D226-R245 IonicContact OD1-NH1 2.88Å; D226-R245 PolarHBondContact OD1-NH1 3.02Å; D226-R245 IonicContact OD1-NH2 3.12Å; D226-R245 PolarHBondContact OD1-NH2 2.71Å; W237-R245 VanDerWaalsContact CE3-NH1 3.26Å; P243-R245 PolarHBondContact O-N 3.08Å
246	P	84.4	Confident	77.9	Confident	25 Å²	25	62.1 Å²	62.1	16%	0.162	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-57.5	143.2	168.5	25.7	-32.3	0	0	0	109.3	C222 E250 L251	C222-P246 WeakPolarHBondContact O-CG 3.27Å; P246-E250 HydrophobicContact CB-CB 3.89Å; P246-E250 HydrophobicContact CB-CG 3.66Å; P246-L251 HydrophobicContact CB-CB 4.43Å; P246-L251 HydrophobicContact CG-CB 4.13Å; P246-L251 HydrophobicContact CG-CD1 4.45Å
247	D	89.9	Confident	79.9	Confident	73 Å²	73	62.3 Å²	62.3	39%	0.39	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-63.3	165.4	168.7	74.8	59.4	0	0	0	110.6	N249 E250 L251 R378	D247-N249 VanDerWaalsContact C-N 3.28Å; D247-N249 PolarHBondContact O-N 2.95Å; D247-N249 WeakPolarHBondContact OD1-CA 3.38Å; D247-N249 WeakPolarHBondContact OD1-CB 3.41Å; D247-N249 PolarHBondContact OD1-N 3.48Å; D247-E250 PolarHBondContact O-N 3.09Å; D247-E250 VanDerWaalsContact O-N 3.08Å; D247-E250 PolarHBondContact OD1-N 3.34Å; D247-L251 PolarHBondContact O-N 3.03Å; D247-R378 IonicContact OD1-CZ 2.91Å; D247-R378 IonicContact OD1-NH1 3.66Å; D247-R378 PolarHBondContact OD1-NH1 3.15Å; D247-R378 IonicContact OD1-NH2 3.5Å; D247-R378 IonicContact OD2-CZ 2.69Å; D247-R378 VanDerWaalsContact OD2-CZ 3.25Å; D247-R378 IonicContact OD2-NH1 3.54Å; D247-R378 PolarHBondContact OD2-NH1 2.93Å; D247-R378 IonicContact OD2-NH2 3.28Å; D247-R378 PolarHBondContact OD2-NH2 3.48Å
248	F	92.1	Very high	81.7	Confident	52 Å²	52	62.5 Å²	62.5	23%	0.228	31%	0.309	C	S	.	.	H	α-helix	trans	-53.2	-42.8	-175	-176	-79.9	0	0	0	113.1	L251 L252 F264 L374 I409 L417 M421	F248-L251 PolarHBondContact O-N 3.32Å; F248-L252 HydrophobicContact CE1-CB 4.48Å; F248-L252 HydrophobicContact CE1-CD2 4.06Å; F248-L252 VanDerWaalsContact O-CB 3.3Å; F248-L252 WeakPolarHBondContact O-CB 3.45Å; F248-L252 PolarHBondContact O-N 3.31Å; F248-F264 HydrophobicContact CE2-CE2 4.15Å; F248-F264 HydrophobicContact CZ-CD2 4.25Å; F248-F264 AromaticContact CZ-CE2 3.69Å; F248-F264 HydrophobicContact CZ-CE2 3.69Å; F248-F264 HydrophobicContact CZ-CZ 4.38Å; F248-L374 HydrophobicContact CD1-CD2 3.75Å; F248-L374 HydrophobicContact CE1-CD2 3.13Å; F248-L374 HydrophobicContact CZ-CD2 4.03Å; F248-I409 HydrophobicContact CE1-CG2 4.5Å; F248-I409 HydrophobicContact CE2-CG2 4.07Å; F248-I409 HydrophobicContact CZ-CD1 4.03Å; F248-I409 HydrophobicContact CZ-CG1 4.31Å; F248-I409 HydrophobicContact CZ-CG2 3.95Å; F248-L417 HydrophobicContact CD2-CB 4.43Å; F248-L417 HydrophobicContact CD2-CD1 4.18Å; F248-L417 HydrophobicContact CE2-CB 4.01Å; F248-L417 HydrophobicContact CE2-CD1 3.85Å; F248-L417 HydrophobicContact CE2-CD2 4.34Å; F248-L417 HydrophobicContact CE2-CG 4.29Å; F248-M421 HydrophobicContact CD2-CE 3.73Å; F248-M421 HydrophobicContact CE2-CE 3.6Å; F248-M421 HydrophobicContact CE2-SD 4.32Å; F248-M421 HydrophobicContact CZ-CE 4.25Å; F248-M421 HydrophobicContact CZ-SD 4.4Å
249	N	94.6	Very high	83.5	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.037	28%	0.28	C	S	.	.	H	α-helix	trans	-71.2	-36.6	-179.9	-94.5	-7.8	0	0	0	112.5	D247 L252 Y253 H375	D247-N249 VanDerWaalsContact C-N 3.28Å; D247-N249 PolarHBondContact O-N 2.95Å; D247-N249 WeakPolarHBondContact OD1-CA 3.38Å; D247-N249 WeakPolarHBondContact OD1-CB 3.41Å; D247-N249 PolarHBondContact OD1-N 3.48Å; N249-L252 PolarHBondContact O-N 3.22Å; N249-Y253 WeakPolarHBondContact O-CB 3.38Å; N249-Y253 PolarHBondContact O-N 3.06Å; N249-H375 WeakPolarHBondContact ND2-CB 3.4Å; N249-H375 PolarHBondContact ND2-CD2 3.15Å; N249-H375 VanDerWaalsContact ND2-CD2 3.33Å; N249-H375 PolarHBondContact ND2-N 2.68Å; N249-H375 PolarHBondContact ND2-O 2.84Å; N249-H375 PolarHBondContact OD1-N 2.8Å
250	E	95.1	Very high	85.2	Confident	36 Å²	36	55 Å²	55	17%	0.168	29%	0.287	C	S	.	.	H	α-helix	trans	-67.6	-38	175.5	178.6	60.3	-160	0	0	111.2	P246 D247 Y253 R254 R382	P246-E250 HydrophobicContact CB-CB 3.89Å; P246-E250 HydrophobicContact CB-CG 3.66Å; D247-E250 PolarHBondContact O-N 3.09Å; D247-E250 VanDerWaalsContact O-N 3.08Å; D247-E250 PolarHBondContact OD1-N 3.34Å; E250-Y253 PolarHBondContact O-N 2.85Å; E250-R254 WeakPolarHBondContact O-CG 3.49Å; E250-R254 PolarHBondContact O-N 2.97Å; E250-R254 IonicContact OE1-CZ 3.54Å; E250-R254 IonicContact OE1-NE 2.66Å; E250-R254 PolarHBondContact OE1-NE 3.41Å; E250-R254 IonicContact OE1-NH2 3.5Å; E250-R382 IonicContact OE2-NE 3.27Å
251	L	95.3	Very high	87.1	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-67.5	-41	173.3	-176.3	52.8	0	0	0	111.8	C222 P246 D247 F248 Y253 R254 T255 H418 M421 L422	C222-L251 HydrophobicContact CB-CD1 3.71Å; P246-L251 HydrophobicContact CB-CB 4.43Å; P246-L251 HydrophobicContact CG-CB 4.13Å; P246-L251 HydrophobicContact CG-CD1 4.45Å; D247-L251 PolarHBondContact O-N 3.03Å; F248-L251 PolarHBondContact O-N 3.32Å; L251-Y253 VanDerWaalsContact C-N 3.34Å; L251-Y253 PolarHBondContact O-N 3.28Å; L251-R254 WeakPolarHBondContact O-CB 2.85Å; L251-R254 PolarHBondContact O-N 2.97Å; L251-R254 VanDerWaalsContact O-N 3.1Å; L251-T255 WeakPolarHBondContact O-CG2 3.47Å; L251-T255 PolarHBondContact O-N 3.32Å; L251-H418 HydrophobicContact CD2-CB 4.37Å; L251-H418 VanDerWaalsContact CD2-ND1 3.26Å; L251-H418 WeakPolarHBondContact CD2-ND1 3.19Å; L251-M421 HydrophobicContact CB-CE 4.3Å; L251-M421 HydrophobicContact CB-SD 4.32Å; L251-M421 HydrophobicContact CD2-CB 4.11Å; L251-M421 HydrophobicContact CD2-CE 3.49Å; L251-M421 VanDerWaalsContact CD2-CE 3.49Å; L251-M421 HydrophobicContact CD2-SD 4.06Å; L251-M421 HydrophobicContact CG-CB 4.19Å; L251-M421 HydrophobicContact CG-CE 3.89Å; L251-M421 HydrophobicContact CG-SD 3.82Å; L251-L422 HydrophobicContact CD1-CD2 4.22Å
252	L	96.2	Very high	88.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-44.3	173.7	-173.8	58.4	0	0	0	111.5	F248 N249 R254 T255 Q256 V263 F265 L374 L379	F248-L252 HydrophobicContact CE1-CB 4.48Å; F248-L252 HydrophobicContact CE1-CD2 4.06Å; F248-L252 VanDerWaalsContact O-CB 3.3Å; F248-L252 WeakPolarHBondContact O-CB 3.45Å; F248-L252 PolarHBondContact O-N 3.31Å; N249-L252 PolarHBondContact O-N 3.22Å; L252-R254 VanDerWaalsContact C-N 3.33Å; L252-R254 PolarHBondContact O-N 3.38Å; L252-T255 PolarHBondContact O-N 2.64Å; L252-T255 PolarHBondContact O-OG1 3.34Å; L252-Q256 HydrophobicContact CD1-CG 4.4Å; L252-Q256 PolarHBondContact O-N 2.93Å; L252-V263 HydrophobicContact CD1-CG2 3.17Å; L252-F265 HydrophobicContact CD1-CZ 4.5Å; L252-F265 HydrophobicContact CD2-CE1 4.31Å; L252-F265 HydrophobicContact CD2-CZ 4Å; L252-L374 HydrophobicContact CD2-CD2 3.9Å; L252-L379 HydrophobicContact CB-CD1 4.26Å; L252-L379 HydrophobicContact CD2-CD1 4.29Å; L252-L379 HydrophobicContact CD2-CD2 3.57Å; L252-L379 HydrophobicContact CG-CD1 3.95Å; L252-L379 HydrophobicContact CG-CD2 3.93Å
253	Y	96.8	Very high	90.6	Very high	31 Å²	31	40.1 Å²	40.1	12%	0.122	21%	0.214	C	C	.	.	H	α-helix	trans	-58.3	-42.8	171.2	159.5	-109.7	0	0	0	112	N249 E250 L251 G257 V258 R382 I383	N249-Y253 WeakPolarHBondContact O-CB 3.38Å; N249-Y253 PolarHBondContact O-N 3.06Å; E250-Y253 PolarHBondContact O-N 2.85Å; L251-Y253 VanDerWaalsContact C-N 3.34Å; L251-Y253 PolarHBondContact O-N 3.28Å; Y253-G257 CarbonylContact O-C 3.35Å; Y253-G257 WeakPolarHBondContact O-CA 2.88Å; Y253-G257 PolarHBondContact O-N 3.07Å; Y253-V258 HydrophobicContact CE1-CG2 3.88Å; Y253-V258 HydrophobicContact CE2-CG2 4.27Å; Y253-V258 PolarHBondContact O-N 2.76Å; Y253-R382 HydrophobicContact CD1-CG 3.73Å; Y253-R382 HydrophobicContact CD2-CB 4.08Å; Y253-R382 HydrophobicContact CD2-CG 3.4Å; Y253-R382 HydrophobicContact CE1-CG 3.96Å; Y253-R382 HydrophobicContact CE2-CG 3.64Å; Y253-R382 HydrophobicContact CG-CB 4.33Å; Y253-R382 HydrophobicContact CG-CG 3.44Å; Y253-R382 VanDerWaalsContact CG-CG 3.44Å; Y253-I383 HydrophobicContact CD2-CG1 3.88Å
254	R	96.3	Very high	92.4	Very high	65 Å²	65	35.5 Å²	35.5	25%	0.245	18%	0.184	C	C	.	.	I	π-helix	trans	-62.8	-46.1	178.1	-73	166.7	-179.7	-113.3	20.4	111.7	S221 E250 L251 L252 V258 F259	S221-R254 PolarHBondContact O-NH1 2.91Å; S221-R254 PolarHBondContact O-NH2 3.34Å; E250-R254 WeakPolarHBondContact O-CG 3.49Å; E250-R254 PolarHBondContact O-N 2.97Å; E250-R254 IonicContact OE1-CZ 3.54Å; E250-R254 IonicContact OE1-NE 2.66Å; E250-R254 PolarHBondContact OE1-NE 3.41Å; E250-R254 IonicContact OE1-NH2 3.5Å; L251-R254 WeakPolarHBondContact O-CB 2.85Å; L251-R254 PolarHBondContact O-N 2.97Å; L251-R254 VanDerWaalsContact O-N 3.1Å; L252-R254 VanDerWaalsContact C-N 3.33Å; L252-R254 PolarHBondContact O-N 3.38Å; R254-V258 VanDerWaalsContact O-CB 3.31Å; R254-V258 WeakPolarHBondContact O-CB 3.04Å; R254-V258 PolarHBondContact O-N 2.84Å; R254-F259 HydrophobicContact CB-CE2 4.32Å; R254-F259 WeakPolarHBondContact O-CD2 3.13Å; R254-F259 PolarHBondContact O-N 3.06Å
255	T	95.9	Very high	93.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-58.6	-56	177.6	59.7	0	0	0	0	111.5	L251 L252 F259 S260 T261 V263 M421 I425	L251-T255 WeakPolarHBondContact O-CG2 3.47Å; L251-T255 PolarHBondContact O-N 3.32Å; L252-T255 PolarHBondContact O-N 2.64Å; L252-T255 PolarHBondContact O-OG1 3.34Å; T255-F259 CarbonylContact O-C 3.52Å; T255-F259 PolarHBondContact O-N 3.37Å; T255-S260 PolarHBondContact O-N 3.01Å; T255-S260 VanDerWaalsContact O-N 3.11Å; T255-T261 CarbonylContact C-O 3.39Å; T255-T261 PolarHBondContact O-N 2.94Å; T255-V263 HydrophobicContact CG2-CG1 3.97Å; T255-V263 HydrophobicContact CG2-CG2 4.37Å; T255-V263 VanDerWaalsContact OG1-CG2 3.29Å; T255-V263 WeakPolarHBondContact OG1-CG2 3.35Å; T255-M421 HydrophobicContact CG2-CB 3.97Å; T255-M421 HydrophobicContact CG2-CG 4.41Å; T255-I425 HydrophobicContact CG2-CD1 3.8Å; T255-I425 HydrophobicContact CG2-CG1 4.09Å
256	Q	94.9	Very high	94.8	Very high	18 Å²	18	24.9 Å²	24.9	8%	0.084	14%	0.139	C	C	.	.	I	π-helix	trans	-85.9	-45.4	-172.3	-59.8	-168.6	20.8	0	0	113.4	L252 S260 T261 V263 F265 L267 I383	L252-Q256 HydrophobicContact CD1-CG 4.4Å; L252-Q256 PolarHBondContact O-N 2.93Å; Q256-S260 WeakPolarHBondContact O-CA 3.48Å; Q256-S260 PolarHBondContact O-N 2.95Å; Q256-T261 WeakPolarHBondContact CG-O 3.42Å; Q256-V263 PolarHBondContact NE2-O 3.02Å; Q256-F265 PolarHBondContact NE2-O 3.42Å; Q256-L267 VanDerWaalsContact OE1-CB 3.28Å; Q256-I383 HydrophobicContact CB-CD1 4.32Å
257	G	95	Very high	95.3	Very high	12 Å²	12	25.1 Å²	25.1	12%	0.124	14%	0.139	C	C	.	.	I	π-helix	trans	-87.2	-11.4	-174.4	0	0	0	0	0	116.1	Y253 I567	Y253-G257 CarbonylContact O-C 3.35Å; Y253-G257 WeakPolarHBondContact O-CA 2.88Å; Y253-G257 PolarHBondContact O-N 3.07Å; G257-I567 WeakPolarHBondContact O-CD1 3.16Å
258	V	96.1	Very high	95.6	Very high	48 Å²	48	24.1 Å²	24.1	29%	0.291	14%	0.135	S	C	.	.	I	π-helix	trans	-117.7	-45.6	176	-176.2	0	0	0	0	111.7	Y253 R254	Y253-V258 HydrophobicContact CE1-CG2 3.88Å; Y253-V258 HydrophobicContact CE2-CG2 4.27Å; Y253-V258 PolarHBondContact O-N 2.76Å; R254-V258 VanDerWaalsContact O-CB 3.31Å; R254-V258 WeakPolarHBondContact O-CB 3.04Å; R254-V258 PolarHBondContact O-N 2.84Å
259	F	95.9	Very high	95.8	Very high	17 Å²	17	22.4 Å²	22.4	8%	0.075	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	2.6	-176.4	-55.8	-63	0	0	0	114.1	V218 C222 R254 T255 T261 I425 L429 L560	V218-F259 HydrophobicContact CB-CE1 4.5Å; V218-F259 HydrophobicContact CB-CZ 4.43Å; V218-F259 HydrophobicContact CG1-CD1 4.34Å; V218-F259 HydrophobicContact CG1-CE1 3.78Å; V218-F259 HydrophobicContact CG1-CE2 4.04Å; V218-F259 HydrophobicContact CG1-CZ 3.63Å; V218-F259 HydrophobicContact CG2-CE1 4.01Å; V218-F259 HydrophobicContact CG2-CZ 4.34Å; C222-F259 VanDerWaalsContact SG-CE2 3.59Å; R254-F259 HydrophobicContact CB-CE2 4.32Å; R254-F259 WeakPolarHBondContact O-CD2 3.13Å; R254-F259 PolarHBondContact O-N 3.06Å; T255-F259 CarbonylContact O-C 3.52Å; T255-F259 PolarHBondContact O-N 3.37Å; F259-T261 PolarHBondContact O-N 3.35Å; F259-T261 VanDerWaalsContact O-N 3.12Å; F259-T261 PolarHBondContact O-OG1 3.42Å; F259-I425 HydrophobicContact CD2-CD1 3.77Å; F259-I425 HydrophobicContact CD2-CG1 4.32Å; F259-I425 HydrophobicContact CE2-CD1 4.29Å; F259-L429 HydrophobicContact CD1-CD1 4.3Å; F259-L560 HydrophobicContact CD1-CD2 3.97Å; F259-L560 HydrophobicContact CE1-CD2 4.14Å
260	S	95	Very high	95.7	Very high	79 Å²	79	25.2 Å²	25.2	55%	0.552	14%	0.144	S	C	*	.			trans	51.5	33.9	180	-169.8	0	0	0	0	113.5	T255 Q256	T255-S260 PolarHBondContact O-N 3.01Å; T255-S260 VanDerWaalsContact O-N 3.11Å; Q256-S260 WeakPolarHBondContact O-CA 3.48Å; Q256-S260 PolarHBondContact O-N 2.95Å
261	T	95.1	Very high	95.7	Very high	10 Å²	10	24.6 Å²	24.6	6%	0.061	14%	0.143	C	C	.	.			trans	-106	113.9	-178.1	-58.4	0	0	0	0	109.3	T255 Q256 F259 V263 R424 A428	T255-T261 CarbonylContact C-O 3.39Å; T255-T261 PolarHBondContact O-N 2.94Å; Q256-T261 WeakPolarHBondContact CG-O 3.42Å; F259-T261 PolarHBondContact O-N 3.35Å; F259-T261 VanDerWaalsContact O-N 3.12Å; F259-T261 PolarHBondContact O-OG1 3.42Å; T261-V263 HydrophobicContact CG2-CG1 4.37Å; T261-R424 HydrophobicContact CG2-CB 3.66Å; T261-R424 WeakPolarHBondContact CG2-O 3.47Å; T261-A428 HydrophobicContact CG2-CB 4.43Å
262	A	94.7	Very high	95.7	Very high	25 Å²	25	24.6 Å²	24.6	21%	0.207	14%	0.143	C	C	.	.			trans	-72.4	130.3	176.9	0	0	0	0	0	111.2	E286 R424	A262-E286 HydrophobicContact CB-CB 4.29Å; A262-E286 HydrophobicContact CB-CG 3.38Å; A262-R424 PolarHBondContact O-NE 3.1Å; A262-R424 VanDerWaalsContact O-NE 3.1Å; A262-R424 PolarHBondContact O-NH2 3.11Å; A262-R424 VanDerWaalsContact O-NH2 3.13Å
263	V	95.5	Very high	95.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.144	C	C	.	.			trans	-133.6	130.3	178.2	-56.3	0	0	0	0	107.8	L252 T255 Q256 T261 F265 Y420 M421 R424	L252-V263 HydrophobicContact CD1-CG2 3.17Å; T255-V263 HydrophobicContact CG2-CG1 3.97Å; T255-V263 HydrophobicContact CG2-CG2 4.37Å; T255-V263 VanDerWaalsContact OG1-CG2 3.29Å; T255-V263 WeakPolarHBondContact OG1-CG2 3.35Å; Q256-V263 PolarHBondContact NE2-O 3.02Å; T261-V263 HydrophobicContact CG2-CG1 4.37Å; V263-F265 PolarHBondContact O-N 3.44Å; V263-Y420 HydrophobicContact CB-CE1 4.09Å; V263-M421 HydrophobicContact CB-CG 4.28Å; V263-M421 HydrophobicContact CG1-CG 4.4Å; V263-M421 HydrophobicContact CG2-CG 4.09Å; V263-M421 HydrophobicContact CG2-SD 4.42Å; V263-R424 HydrophobicContact CG1-CB 3.65Å; V263-R424 HydrophobicContact CG1-CG 3.82Å
264	F	97.6	Very high	95.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	61.2	-31.6	-173.5	-51.7	-70.9	0	0	0	117.5	F248 E286 L336 L340 Y401 V405 I409 L417 Y420 M421	F248-F264 HydrophobicContact CE2-CE2 4.15Å; F248-F264 HydrophobicContact CZ-CD2 4.25Å; F248-F264 AromaticContact CZ-CE2 3.69Å; F248-F264 HydrophobicContact CZ-CE2 3.69Å; F248-F264 HydrophobicContact CZ-CZ 4.38Å; F264-E286 CarbonylContact C-O 3.5Å; F264-L336 HydrophobicContact CE1-CD2 4.26Å; F264-L340 HydrophobicContact CD1-CD1 4.19Å; F264-L340 HydrophobicContact CD1-CD2 4.22Å; F264-Y401 WeakPolarHBondContact O-CE1 3.45Å; F264-Y401 PolarHBondContact O-OH 3.07Å; F264-V405 HydrophobicContact CB-CG1 3.74Å; F264-V405 HydrophobicContact CD1-CG1 4.43Å; F264-V405 HydrophobicContact CG-CG1 4.33Å; F264-I409 HydrophobicContact CD1-CD1 4.38Å; F264-I409 HydrophobicContact CD1-CG1 4.27Å; F264-I409 HydrophobicContact CD2-CD1 4.23Å; F264-I409 HydrophobicContact CE1-CG1 4.17Å; F264-I409 HydrophobicContact CG-CD1 4.16Å; F264-I409 HydrophobicContact CZ-CG1 4.34Å; F264-L417 HydrophobicContact CE1-CD2 3.96Å; F264-L417 HydrophobicContact CZ-CD2 3.54Å; F264-Y420 HydrophobicContact CD1-CD1 4.48Å; F264-Y420 AromaticContact CD1-CE1 3.78Å; F264-Y420 HydrophobicContact CD1-CE1 3.78Å; F264-Y420 HydrophobicContact CD2-CE1 4.14Å; F264-Y420 AromaticContact CE1-CD1 3.7Å; F264-Y420 HydrophobicContact CE1-CD1 3.7Å; F264-Y420 AromaticContact CE1-CE1 3.45Å; F264-Y420 HydrophobicContact CE1-CE1 3.45Å; F264-Y420 VanDerWaalsContact CE1-CE1 3.45Å; F264-Y420 AromaticContact CE2-CD1 3.99Å; F264-Y420 HydrophobicContact CE2-CD1 3.99Å; F264-Y420 AromaticContact CE2-CE1 3.82Å; F264-Y420 HydrophobicContact CE2-CE1 3.82Å; F264-Y420 HydrophobicContact CG-CE1 4.11Å; F264-Y420 AromaticContact CZ-CD1 3.4Å; F264-Y420 HydrophobicContact CZ-CD1 3.4Å; F264-Y420 AromaticContact CZ-CE1 3.45Å; F264-Y420 HydrophobicContact CZ-CE1 3.45Å; F264-Y420 VanDerWaalsContact CZ-CE1 3.45Å; F264-Y420 PolarHBondContact N-OH 3.23Å; F264-M421 HydrophobicContact CE2-CG 4.01Å; F264-M421 HydrophobicContact CE2-SD 4.22Å
265	F	97.6	Very high	95.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	159	178.5	54.9	-92.3	0	0	0	109.6	L252 Q256 V263 L267 I283 D284 E286 L374 W376 L379 I402	L252-F265 HydrophobicContact CD1-CZ 4.5Å; L252-F265 HydrophobicContact CD2-CE1 4.31Å; L252-F265 HydrophobicContact CD2-CZ 4Å; Q256-F265 PolarHBondContact NE2-O 3.42Å; V263-F265 PolarHBondContact O-N 3.44Å; F265-L267 HydrophobicContact CE2-CB 4.44Å; F265-L267 HydrophobicContact CE2-CD1 4.41Å; F265-I283 HydrophobicContact CB-CG2 4.27Å; F265-I283 HydrophobicContact CD2-CG2 4.13Å; F265-I283 HydrophobicContact CG-CG2 4.4Å; F265-D284 WeakPolarHBondContact CA-O 3.5Å; F265-D284 WeakPolarHBondContact CB-O 3.19Å; F265-E286 PolarHBondContact N-O 3.32Å; F265-L374 HydrophobicContact CE1-CD1 3.58Å; F265-L374 HydrophobicContact CZ-CD1 4.15Å; F265-W376 HydrophobicContact CD1-CH2 4.02Å; F265-W376 HydrophobicContact CD2-CH2 4.31Å; F265-W376 HydrophobicContact CD2-CZ3 4.23Å; F265-W376 AromaticContact CE1-CH2 3.65Å; F265-W376 HydrophobicContact CE1-CH2 3.65Å; F265-W376 AromaticContact CE1-CZ3 3.98Å; F265-W376 HydrophobicContact CE1-CZ3 3.98Å; F265-W376 AromaticContact CE2-CH2 3.96Å; F265-W376 HydrophobicContact CE2-CH2 3.96Å; F265-W376 AromaticContact CE2-CZ3 3.57Å; F265-W376 HydrophobicContact CE2-CZ3 3.57Å; F265-W376 HydrophobicContact CG-CH2 4.34Å; F265-W376 HydrophobicContact CZ-CE3 4.42Å; F265-W376 AromaticContact CZ-CH2 3.6Å; F265-W376 HydrophobicContact CZ-CH2 3.6Å; F265-W376 AromaticContact CZ-CZ3 3.4Å; F265-W376 HydrophobicContact CZ-CZ3 3.4Å; F265-W376 VanDerWaalsContact CZ-CZ3 3.4Å; F265-L379 HydrophobicContact CE2-CD2 4.42Å; F265-L379 HydrophobicContact CZ-CD2 4.02Å; F265-I402 HydrophobicContact CB-CD1 3.54Å; F265-I402 HydrophobicContact CD1-CD1 4.47Å; F265-I402 HydrophobicContact CG-CD1 4.14Å
266	S	96.8	Very high	95.6	Very high	23 Å²	23	28.6 Å²	28.6	16%	0.161	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	145.5	171.6	59.7	0	0	0	0	109.7	I283 D284	S266-I283 WeakPolarHBondContact O-CA 3.45Å; S266-D284 PolarHBondContact N-O 3.31Å; S266-D284 PolarHBondContact O-N 2.91Å; S266-D284 WeakPolarHBondContact OG-CB 3.3Å; S266-D284 PolarHBondContact OG-O 2.97Å
267	L	95.8	Very high	95.6	Very high	30 Å²	30	30.9 Å²	30.9	16%	0.157	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	113.9	176.5	-175.9	158.7	0	0	0	107.7	Q256 F265 R282 L380 I383 F384	Q256-L267 VanDerWaalsContact OE1-CB 3.28Å; F265-L267 HydrophobicContact CE2-CB 4.44Å; F265-L267 HydrophobicContact CE2-CD1 4.41Å; L267-R282 WeakPolarHBondContact CA-O 3.46Å; L267-L380 HydrophobicContact CD1-CD2 3.61Å; L267-L380 HydrophobicContact CG-CD2 4.42Å; L267-I383 HydrophobicContact CD1-CD1 4.06Å; L267-I383 HydrophobicContact CD2-CD1 4.45Å; L267-F384 HydrophobicContact CD2-CE2 3.94Å; L267-F384 HydrophobicContact CD2-CZ 4.14Å
268	T	95.4	Very high	95.7	Very high	52 Å²	52	34.3 Å²	34.3	32%	0.319	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	160.7	-173	58.8	0	0	0	0	111.4	N270 R282	T268-N270 WeakPolarHBondContact CB-OD1 3.47Å; T268-N270 PolarHBondContact OG1-OD1 2.85Å; T268-R282 PolarHBondContact N-O 3.32Å; T268-R282 PolarHBondContact O-N 2.97Å
269	V	95.4	Very high	95.7	Very high	15 Å²	15	33 Å²	33	9%	0.091	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.9	169.9	-179	0	0	0	0	107.3	N279 F384 K573 I574	V269-N279 HydrophobicContact CG1-CB 3.86Å; V269-F384 HydrophobicContact CG2-CE1 3.56Å; V269-F384 HydrophobicContact CG2-CZ 3.81Å; V269-K573 HydrophobicContact CG1-CB 3.95Å; V269-I574 HydrophobicContact CG1-CB 4.35Å; V269-I574 HydrophobicContact CG1-CD1 4.4Å
270	N	93	Very high	95.7	Very high	66 Å²	66	32.7 Å²	32.7	35%	0.353	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	166.1	-176.7	-70.7	86.6	0	0	0	110.5	T268 D272 N279 A280	T268-N270 WeakPolarHBondContact CB-OD1 3.47Å; T268-N270 PolarHBondContact OG1-OD1 2.85Å; N270-D272 PolarHBondContact O-N 3.27Å; N270-N279 CarbonylContact O-C 3.03Å; N270-N279 WeakPolarHBondContact O-CA 3.21Å; N270-A280 PolarHBondContact N-O 3.21Å; N270-A280 VanDerWaalsContact N-O 3.09Å; N270-A280 PolarHBondContact O-N 3.24Å
271	V	95.4	Very high	95.8	Very high	24 Å²	24	29 Å²	29	15%	0.145	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	133	166.8	-178.1	0	0	0	0	108.9	D273 V578 N597	V271-D273 PolarHBondContact O-N 2.91Å; V271-V578 HydrophobicContact CB-CG2 4.42Å; V271-V578 HydrophobicContact CG1-CG1 4.39Å; V271-V578 HydrophobicContact CG1-CG2 4.13Å; V271-V578 HydrophobicContact CG2-CB 4.47Å; V271-V578 HydrophobicContact CG2-CG1 3.6Å; V271-V578 HydrophobicContact CG2-CG2 3.95Å; V271-N597 HydrophobicContact CB-CB 4.13Å; V271-N597 HydrophobicContact CG1-CB 3.91Å
272	D	95.8	Very high	95.8	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.011	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	118.1	176	179.8	-9.3	0	0	0	109.7	N270 K274 N275 S276 R278 A280 Y359	N270-D272 PolarHBondContact O-N 3.27Å; D272-K274 PolarHBondContact O-N 3.06Å; D272-K274 VanDerWaalsContact O-N 3.15Å; D272-K274 PolarHBondContact OD1-N 3.47Å; D272-N275 HydrophobicContact CB-CB 4.44Å; D272-N275 CarbonylContact O-C 3.56Å; D272-N275 PolarHBondContact O-N 3.45Å; D272-S276 PolarHBondContact O-N 3.3Å; D272-R278 HydrophobicContact CB-CG 4.12Å; D272-R278 PolarHBondContact N-O 3.04Å; D272-R278 IonicContact OD2-CZ 2.82Å; D272-R278 VanDerWaalsContact OD2-CZ 3.3Å; D272-R278 IonicContact OD2-NE 3.24Å; D272-R278 PolarHBondContact OD2-NE 3.47Å; D272-R278 IonicContact OD2-NH2 3.29Å; D272-R278 PolarHBondContact OD2-NH2 3.34Å; D272-A280 HydrophobicContact CB-CB 3.96Å; D272-Y359 WeakPolarHBondContact OD1-CE2 3.45Å; D272-Y359 PolarHBondContact OD1-OH 3.35Å
273	D	94.8	Very high	96	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.032	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.1	-177	-66.2	-64.8	0	0	0	112.4	V271 Y359 N597 Y645 N650 L651	V271-D273 PolarHBondContact O-N 2.91Å; D273-Y359 HydrophobicContact CB-CD2 3.95Å; D273-Y359 HydrophobicContact CB-CE2 4.01Å; D273-N597 PolarHBondContact OD1-ND2 3.48Å; D273-N597 PolarHBondContact OD1-OD1 3.35Å; D273-Y645 HydrophobicContact CB-CE1 4.19Å; D273-Y645 PolarHBondContact OD1-OH 3.05Å; D273-N650 CarbonylContact O-C 3.37Å; D273-N650 WeakPolarHBondContact O-CA 3.46Å; D273-L651 HydrophobicContact CB-CB 4.2Å; D273-L651 HydrophobicContact CB-CD2 4.33Å; D273-L651 VanDerWaalsContact O-CB 3.27Å; D273-L651 WeakPolarHBondContact O-CB 3.22Å; D273-L651 PolarHBondContact O-N 3.11Å
274	K	95.7	Very high	96	Very high	112 Å²	112	31 Å²	31	49%	0.487	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-10.7	177	-70.2	-167.8	-178.6	174.3	0	113.8	D272 Y359 L651	D272-K274 PolarHBondContact O-N 3.06Å; D272-K274 VanDerWaalsContact O-N 3.15Å; D272-K274 PolarHBondContact OD1-N 3.47Å; K274-Y359 HydrophobicContact CB-CE1 4.37Å; K274-Y359 HydrophobicContact CB-CE2 4.44Å; K274-Y359 HydrophobicContact CD-CD1 3.76Å; K274-Y359 HydrophobicContact CD-CE1 3.48Å; K274-Y359 VanDerWaalsContact CD-CE1 3.48Å; K274-Y359 HydrophobicContact CD-CG 4.49Å; K274-Y359 VanDerWaalsContact CE-CD1 3.4Å; K274-Y359 HydrophobicContact CG-CD1 4.14Å; K274-Y359 HydrophobicContact CG-CD2 4.45Å; K274-Y359 HydrophobicContact CG-CE1 3.81Å; K274-Y359 HydrophobicContact CG-CE2 4.11Å; K274-Y359 HydrophobicContact CG-CG 4.46Å; K274-L651 HydrophobicContact CG-CB 4.39Å
275	N	95.9	Very high	95.9	Very high	57 Å²	57	32.2 Å²	32.2	31%	0.305	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	86.3	176.4	-173.2	1.9	0	0	0	111.8	D272 S277 R278	D272-N275 HydrophobicContact CB-CB 4.44Å; D272-N275 CarbonylContact O-C 3.56Å; D272-N275 PolarHBondContact O-N 3.45Å; N275-S277 PolarHBondContact O-N 3.09Å; N275-S277 PolarHBondContact OD1-N 2.99Å; N275-S277 PolarHBondContact OD1-OG 3.34Å; N275-R278 HydrophobicContact CB-CG 4.19Å; N275-R278 PolarHBondContact O-N 3.49Å; N275-R278 VanDerWaalsContact O-N 3.15Å
276	S	96.2	Very high	95.8	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.028	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	-1.9	-177.4	62.9	0	0	0	0	116	D272 K580 N597 Y648 G649 N650	D272-S276 PolarHBondContact O-N 3.3Å; S276-K580 WeakPolarHBondContact O-CE 3.2Å; S276-K580 PolarHBondContact OG-NZ 3.14Å; S276-K580 VanDerWaalsContact OG-NZ 3.09Å; S276-N597 VanDerWaalsContact CB-O 3.28Å; S276-N597 WeakPolarHBondContact CB-O 3.48Å; S276-Y648 PolarHBondContact OG-O 3.35Å; S276-G649 WeakPolarHBondContact CB-O 3.33Å; S276-N650 WeakPolarHBondContact CB-OD1 3.32Å; S276-N650 PolarHBondContact N-OD1 3.43Å; S276-N650 PolarHBondContact OG-OD1 3.42Å
277	S	95.7	Very high	95.7	Very high	67 Å²	67	34.5 Å²	34.5	47%	0.469	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-14.7	175	79.5	0	0	0	0	113.3	N275 V578	N275-S277 PolarHBondContact O-N 3.09Å; N275-S277 PolarHBondContact OD1-N 2.99Å; N275-S277 PolarHBondContact OD1-OG 3.34Å; S277-V578 PolarHBondContact O-N 2.89Å; S277-V578 VanDerWaalsContact O-N 3.15Å
278	R	95.8	Very high	95.7	Very high	83 Å²	83	34 Å²	34	31%	0.313	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	159.5	-176.4	68.3	174.4	-172.3	-174.6	-1.5	112.5	D272 N275 R361 V578	D272-R278 HydrophobicContact CB-CG 4.12Å; D272-R278 PolarHBondContact N-O 3.04Å; D272-R278 IonicContact OD2-CZ 2.82Å; D272-R278 VanDerWaalsContact OD2-CZ 3.3Å; D272-R278 IonicContact OD2-NE 3.24Å; D272-R278 PolarHBondContact OD2-NE 3.47Å; D272-R278 IonicContact OD2-NH2 3.29Å; D272-R278 PolarHBondContact OD2-NH2 3.34Å; N275-R278 HydrophobicContact CB-CG 4.19Å; N275-R278 PolarHBondContact O-N 3.49Å; N275-R278 VanDerWaalsContact O-N 3.15Å; R278-R361 VanDerWaalsContact NH1-NH2 3.17Å; R278-V578 WeakPolarHBondContact O-CG2 3.47Å
279	N	96.1	Very high	95.7	Very high	20 Å²	20	33.5 Å²	33.5	11%	0.107	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	157.3	169.8	-61.8	-72.8	0	0	0	110.6	V269 N270 K573 E576	V269-N279 HydrophobicContact CG1-CB 3.86Å; N270-N279 CarbonylContact O-C 3.03Å; N270-N279 WeakPolarHBondContact O-CA 3.21Å; N279-K573 WeakPolarHBondContact CB-O 3.46Å; N279-K573 PolarHBondContact ND2-O 2.86Å; N279-E576 PolarHBondContact ND2-O 2.68Å
280	A	95.8	Very high	95.6	Very high	12 Å²	12	33 Å²	33	10%	0.099	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	151.3	174.7	0	0	0	0	0	110.5	N270 D272 R282 V395	N270-A280 PolarHBondContact N-O 3.21Å; N270-A280 VanDerWaalsContact N-O 3.09Å; N270-A280 PolarHBondContact O-N 3.24Å; D272-A280 HydrophobicContact CB-CB 3.96Å; A280-R282 PolarHBondContact O-N 3.28Å; A280-V395 HydrophobicContact CB-CG2 4.12Å
281	I	97.2	Very high	95.5	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	125	168	-54.9	176.5	0	0	0	107.5	L380 F384 F388 I394 V395 I574	I281-L380 HydrophobicContact CD1-CD2 4.44Å; I281-L380 HydrophobicContact CG2-CD2 4.32Å; I281-F384 HydrophobicContact CD1-CD2 4.49Å; I281-F384 HydrophobicContact CD1-CE1 4.03Å; I281-F384 HydrophobicContact CD1-CE2 3.91Å; I281-F384 HydrophobicContact CD1-CZ 3.66Å; I281-F384 HydrophobicContact CG1-CE1 4.02Å; I281-F384 HydrophobicContact CG1-CE2 4.39Å; I281-F384 HydrophobicContact CG1-CZ 3.69Å; I281-F384 HydrophobicContact CG2-CZ 4.27Å; I281-F388 HydrophobicContact CD1-CE1 4.25Å; I281-F388 HydrophobicContact CD1-CE2 4.27Å; I281-F388 HydrophobicContact CD1-CZ 3.84Å; I281-I394 HydrophobicContact CB-CB 4.47Å; I281-I394 HydrophobicContact CB-CG2 3.94Å; I281-I394 HydrophobicContact CD1-CG2 4.31Å; I281-I394 HydrophobicContact CG2-CG2 4.31Å; I281-V395 PolarHBondContact O-N 2.79Å; I281-I574 HydrophobicContact CG1-CD1 3.77Å; I281-I574 HydrophobicContact CG1-CG1 4.17Å
282	R	96.7	Very high	95.3	Very high	67 Å²	67	33.3 Å²	33.3	25%	0.253	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.6	179.8	177.7	175.4	159.8	165	-4.2	110.2	L267 T268 A280 D284 V395 L397	L267-R282 WeakPolarHBondContact CA-O 3.46Å; T268-R282 PolarHBondContact N-O 3.32Å; T268-R282 PolarHBondContact O-N 2.97Å; A280-R282 PolarHBondContact O-N 3.28Å; R282-D284 IonicContact NH2-OD2 2.81Å; R282-D284 PolarHBondContact NH2-OD2 2.91Å; R282-V395 CarbonylContact C-O 2.94Å; R282-V395 VanDerWaalsContact CA-O 3.29Å; R282-V395 WeakPolarHBondContact CA-O 3.49Å; R282-L397 HydrophobicContact CG-CD1 4.39Å; R282-L397 HydrophobicContact CG-CG 4.36Å
283	I	97.6	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.6	172.7	-61.2	174.2	0	0	0	108.8	F265 S266 L367 W376 I394 V395 V396 L397 I402	F265-I283 HydrophobicContact CB-CG2 4.27Å; F265-I283 HydrophobicContact CD2-CG2 4.13Å; F265-I283 HydrophobicContact CG-CG2 4.4Å; S266-I283 WeakPolarHBondContact O-CA 3.45Å; I283-L367 HydrophobicContact CD1-CD2 3.57Å; I283-W376 HydrophobicContact CD1-CE3 4.16Å; I283-W376 HydrophobicContact CD1-CH2 4.32Å; I283-W376 HydrophobicContact CD1-CZ3 3.7Å; I283-I394 HydrophobicContact CD1-CD1 3.95Å; I283-V395 PolarHBondContact N-O 3.03Å; I283-V396 HydrophobicContact CB-CG2 4.37Å; I283-V396 WeakPolarHBondContact O-CA 3.26Å; I283-L397 PolarHBondContact O-N 3.04Å; I283-I402 HydrophobicContact CG2-CD1 3.64Å; I283-I402 HydrophobicContact CG2-CG1 4.06Å
284	D	96.8	Very high	95	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.048	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	168.5	178	-156.2	-8.5	0	0	0	110.3	F265 S266 R282 R352 L397	F265-D284 WeakPolarHBondContact CA-O 3.5Å; F265-D284 WeakPolarHBondContact CB-O 3.19Å; S266-D284 PolarHBondContact N-O 3.31Å; S266-D284 PolarHBondContact O-N 2.91Å; S266-D284 WeakPolarHBondContact OG-CB 3.3Å; S266-D284 PolarHBondContact OG-O 2.97Å; R282-D284 IonicContact NH2-OD2 2.81Å; R282-D284 PolarHBondContact NH2-OD2 2.91Å; D284-R352 VanDerWaalsContact CG-NH2 3.32Å; D284-R352 IonicContact OD1-CZ 3.72Å; D284-R352 IonicContact OD1-NH1 3.7Å; D284-R352 PolarHBondContact OD1-NH1 3.39Å; D284-R352 IonicContact OD1-NH2 3.16Å; D284-R352 PolarHBondContact OD1-NH2 2.97Å; D284-R352 VanDerWaalsContact OD1-NH2 3.12Å; D284-R352 IonicContact OD2-CZ 2.58Å; D284-R352 IonicContact OD2-NH2 2.91Å; D284-R352 PolarHBondContact OD2-NH2 2.96Å; D284-L397 HydrophobicContact CB-CB 4.29Å
285	Q	95.6	Very high	95	Very high	25 Å²	25	31.4 Å²	31.4	12%	0.117	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	141.3	174.3	65.7	-176.7	52.5	0	0	111.5	V345 A398 Y401	Q285-V345 PolarHBondContact NE2-O 2.66Å; Q285-A398 HydrophobicContact CB-CB 4.02Å; Q285-A398 HydrophobicContact CG-CB 4.47Å; Q285-Y401 VanDerWaalsContact CA-CE1 3.47Å; Q285-Y401 HydrophobicContact CB-CD1 3.52Å; Q285-Y401 HydrophobicContact CB-CD2 3.95Å; Q285-Y401 HydrophobicContact CB-CE1 3.66Å; Q285-Y401 HydrophobicContact CB-CE2 4.08Å; Q285-Y401 HydrophobicContact CB-CG 3.68Å
286	E	95.3	Very high	95	Very high	72 Å²	72	29.1 Å²	29.1	34%	0.336	15%	0.152	S	C	.	.			trans	-172.2	169.1	175.4	-175.6	47	-95.6	0	0	108	A262 F264 F265 Y401 R424	A262-E286 HydrophobicContact CB-CB 4.29Å; A262-E286 HydrophobicContact CB-CG 3.38Å; F264-E286 CarbonylContact C-O 3.5Å; F265-E286 PolarHBondContact N-O 3.32Å; E286-Y401 PolarHBondContact O-OH 3.12Å; E286-R424 IonicContact OE1-NH2 3.5Å; E286-R424 PolarHBondContact OE1-NH2 2.72Å
287	G	93.1	Very high	94.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.			trans	130.4	4.9	172.3	0	0	0	0	0	114.1	Y420	G287-Y420 VanDerWaalsContact C-OH 3.31Å; G287-Y420 WeakPolarHBondContact CA-OH 3.33Å; G287-Y420 WeakPolarHBondContact O-CE2 3.38Å; G287-Y420 PolarHBondContact O-OH 3.29Å
288	L	96.1	Very high	94.8	Very high	19 Å²	19	29.3 Å²	29.3	10%	0.099	15%	0.152	C	C	.	.			trans	-97.3	138.3	175.2	-57.5	-174.4	0	0	0	110.2	L290 R293 Y296 E337 L340 A341 T344 R424	L288-L290 WeakPolarHBondContact CB-O 2.97Å; L288-R293 HydrophobicContact CD1-CB 4.09Å; L288-Y296 HydrophobicContact CB-CE2 3.96Å; L288-Y296 HydrophobicContact CD1-CD2 4.37Å; L288-Y296 HydrophobicContact CD1-CE2 4.13Å; L288-Y296 HydrophobicContact CD2-CE2 4.08Å; L288-Y296 HydrophobicContact CG-CE2 4.28Å; L288-E337 HydrophobicContact CD2-CB 4.42Å; L288-E337 VanDerWaalsContact CD2-O 3.23Å; L288-E337 WeakPolarHBondContact CD2-O 3.47Å; L288-L340 HydrophobicContact CD2-CB 3.85Å; L288-A341 HydrophobicContact CD1-CB 3.98Å; L288-A341 HydrophobicContact CD2-CB 3.88Å; L288-T344 HydrophobicContact CD1-CG2 4.41Å; L288-R424 PolarHBondContact O-NH1 2.98Å; L288-R424 PolarHBondContact O-NH2 3.46Å
289	T	95.6	Very high	94.6	Very high	41 Å²	41	33.3 Å²	33.3	25%	0.252	17%	0.174	S	C	.	.	S	Bend	trans	-89	-33.2	178.5	-57.1	0	0	0	0	111.4	Y296 Y310 E337 W423 R424 A427	T289-Y296 PolarHBondContact N-OH 3.25Å; T289-Y310 WeakPolarHBondContact CB-OH 3.47Å; T289-Y310 HydrophobicContact CG2-CE2 3.58Å; T289-Y310 PolarHBondContact OG1-OH 3.04Å; T289-E337 WeakPolarHBondContact CB-OE1 3.36Å; T289-E337 PolarHBondContact OG1-OE1 2.92Å; T289-W423 PolarHBondContact OG1-NE1 3.28Å; T289-R424 PolarHBondContact OG1-NH1 2.9Å; T289-A427 HydrophobicContact CG2-CB 4.03Å
290	L	94.6	Very high	94.4	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	18%	0.184	C	C	.	.	S	Bend	trans	-76.8	147.6	164.5	-57.7	176	0	0	0	109.8	L288 E292 L295 Y296 I306 L307 Y310 F444	L288-L290 WeakPolarHBondContact CB-O 2.97Å; L290-E292 PolarHBondContact O-N 3.42Å; L290-L295 HydrophobicContact CB-CB 4.29Å; L290-L295 HydrophobicContact CB-CD1 4.04Å; L290-L295 HydrophobicContact CD1-CB 3.92Å; L290-Y296 HydrophobicContact CB-CD2 4.37Å; L290-Y296 HydrophobicContact CB-CE2 3.55Å; L290-Y296 HydrophobicContact CD1-CD2 4.44Å; L290-Y296 HydrophobicContact CD1-CE1 4.27Å; L290-Y296 HydrophobicContact CD1-CE2 4.11Å; L290-Y296 HydrophobicContact CG-CE2 4.07Å; L290-Y296 PolarHBondContact N-OH 3.07Å; L290-I306 HydrophobicContact CD1-CG2 4.3Å; L290-I306 HydrophobicContact CD2-CG2 4.18Å; L290-L307 HydrophobicContact CD1-CD1 4.17Å; L290-Y310 HydrophobicContact CD1-CD1 4.01Å; L290-Y310 HydrophobicContact CD1-CG 4.23Å; L290-Y310 HydrophobicContact CD2-CD1 4.4Å; L290-Y310 HydrophobicContact CD2-CD2 4.05Å; L290-Y310 HydrophobicContact CD2-CG 3.91Å; L290-Y310 HydrophobicContact CG-CD1 4.06Å; L290-Y310 HydrophobicContact CG-CD2 4.45Å; L290-Y310 HydrophobicContact CG-CE1 4.42Å; L290-Y310 HydrophobicContact CG-CG 4.09Å; L290-F444 HydrophobicContact CD2-CE2 4.42Å; L290-F444 HydrophobicContact CD2-CZ 3.67Å
291	P	90.4	Very high	94.1	Very high	80 Å²	80	42.8 Å²	42.8	52%	0.519	22%	0.217	S	C	.	.	S	Bend	trans	-70.8	-13.9	-169.4	27.6	-36.9	0	0	0	114.8	L295 L750 T754	P291-L295 HydrophobicContact CG-CD1 3.9Å; P291-L750 HydrophobicContact CG-CD1 3.76Å; P291-T754 HydrophobicContact CB-CG2 4.24Å; P291-T754 HydrophobicContact CG-CG2 4.39Å
292	E	90.5	Very high	93.8	Very high	17 Å²	17	44.3 Å²	44.3	8%	0.079	23%	0.225	C	C	.	.			trans	-143	143.2	-178.4	-136.6	-57.8	130	0	0	111.5	L290 S294 L295 S346 Y348 T754	L290-E292 PolarHBondContact O-N 3.42Å; E292-S294 VanDerWaalsContact C-N 3.3Å; E292-S294 PolarHBondContact O-N 3.36Å; E292-S294 VanDerWaalsContact OE2-CB 3.3Å; E292-S294 WeakPolarHBondContact OE2-CB 3.43Å; E292-S294 PolarHBondContact OE2-N 3.09Å; E292-S294 PolarHBondContact OE2-OG 3.08Å; E292-S294 VanDerWaalsContact OE2-OG 3.09Å; E292-L295 HydrophobicContact CB-CD1 4.41Å; E292-L295 HydrophobicContact CB-CG 4.42Å; E292-L295 WeakPolarHBondContact O-CB 3.38Å; E292-L295 PolarHBondContact O-N 3.05Å; E292-S346 WeakPolarHBondContact OE1-CB 2.84Å; E292-S346 PolarHBondContact OE1-OG 3.04Å; E292-Y348 HydrophobicContact CG-CE2 3.96Å; E292-T754 HydrophobicContact CB-CG2 3.97Å; E292-T754 HydrophobicContact CG-CG2 4.11Å
293	R	93.6	Very high	93.6	Very high	50 Å²	50	41.1 Å²	41.1	19%	0.189	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.5	176.3	64.6	169.8	-69.2	176.4	3.3	114.3	L288 L295 Y296 L297 A341 N342 T344	L288-R293 HydrophobicContact CD1-CB 4.09Å; R293-L295 PolarHBondContact O-N 3.11Å; R293-Y296 WeakPolarHBondContact O-CB 3.42Å; R293-Y296 PolarHBondContact O-N 3.39Å; R293-L297 WeakPolarHBondContact O-CG 3.19Å; R293-L297 PolarHBondContact O-N 2.7Å; R293-A341 HydrophobicContact CB-CB 3.93Å; R293-A341 WeakPolarHBondContact CB-O 3.33Å; R293-A341 PolarHBondContact NE-O 3.27Å; R293-A341 PolarHBondContact NH2-O 2.87Å; R293-N342 PolarHBondContact NH2-O 3.35Å; R293-N342 VanDerWaalsContact NH2-O 3.11Å; R293-T344 WeakPolarHBondContact CD-O 3.4Å; R293-T344 PolarHBondContact NH1-O 3.29Å
294	S	91.8	Very high	93.5	Very high	29 Å²	29	44.8 Å²	44.8	20%	0.203	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-27.6	-179.2	66.4	0	0	0	0	111.1	E292 Y296 L297 G298	E292-S294 VanDerWaalsContact C-N 3.3Å; E292-S294 PolarHBondContact O-N 3.36Å; E292-S294 VanDerWaalsContact OE2-CB 3.3Å; E292-S294 WeakPolarHBondContact OE2-CB 3.43Å; E292-S294 PolarHBondContact OE2-N 3.09Å; E292-S294 PolarHBondContact OE2-OG 3.08Å; E292-S294 VanDerWaalsContact OE2-OG 3.09Å; S294-Y296 PolarHBondContact O-N 3.35Å; S294-L297 PolarHBondContact O-N 2.57Å; S294-G298 VanDerWaalsContact O-CA 3.26Å; S294-G298 WeakPolarHBondContact O-CA 3.48Å; S294-G298 PolarHBondContact O-N 2.89Å
295	L	94	Very high	93.3	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-67.8	-20.9	173.6	-61.2	173.1	0	0	0	112.7	L290 P291 E292 R293 I306 Y749 L750 L753	L290-L295 HydrophobicContact CB-CB 4.29Å; L290-L295 HydrophobicContact CB-CD1 4.04Å; L290-L295 HydrophobicContact CD1-CB 3.92Å; P291-L295 HydrophobicContact CG-CD1 3.9Å; E292-L295 HydrophobicContact CB-CD1 4.41Å; E292-L295 HydrophobicContact CB-CG 4.42Å; E292-L295 WeakPolarHBondContact O-CB 3.38Å; E292-L295 PolarHBondContact O-N 3.05Å; R293-L295 PolarHBondContact O-N 3.11Å; L295-I306 HydrophobicContact CD2-CD1 3.91Å; L295-I306 HydrophobicContact CD2-CG2 4.43Å; L295-Y749 HydrophobicContact CD2-CE1 4.16Å; L295-L750 HydrophobicContact CD1-CD1 4.39Å; L295-L753 HydrophobicContact CD2-CD1 4Å
296	Y	96.4	Very high	93.3	Very high	9 Å²	9	47.2 Å²	47.2	4%	0.035	25%	0.246	C	C	.	.	H	α-helix	trans	-91	-31.1	173.6	-65.6	-92.1	0	0	0	113	L288 T289 L290 R293 S294 L307 Y310 E337 A341	L288-Y296 HydrophobicContact CB-CE2 3.96Å; L288-Y296 HydrophobicContact CD1-CD2 4.37Å; L288-Y296 HydrophobicContact CD1-CE2 4.13Å; L288-Y296 HydrophobicContact CD2-CE2 4.08Å; L288-Y296 HydrophobicContact CG-CE2 4.28Å; T289-Y296 PolarHBondContact N-OH 3.25Å; L290-Y296 HydrophobicContact CB-CD2 4.37Å; L290-Y296 HydrophobicContact CB-CE2 3.55Å; L290-Y296 HydrophobicContact CD1-CD2 4.44Å; L290-Y296 HydrophobicContact CD1-CE1 4.27Å; L290-Y296 HydrophobicContact CD1-CE2 4.11Å; L290-Y296 HydrophobicContact CG-CE2 4.07Å; L290-Y296 PolarHBondContact N-OH 3.07Å; R293-Y296 WeakPolarHBondContact O-CB 3.42Å; R293-Y296 PolarHBondContact O-N 3.39Å; S294-Y296 PolarHBondContact O-N 3.35Å; Y296-L307 HydrophobicContact CD1-CD1 3.98Å; Y296-L307 HydrophobicContact CE1-CD1 4.41Å; Y296-Y310 HydrophobicContact CE1-CE1 4.14Å; Y296-E337 HydrophobicContact CD1-CB 4.31Å; Y296-E337 HydrophobicContact CE1-CB 3.61Å; Y296-E337 WeakPolarHBondContact CE1-OE2 3.48Å; Y296-E337 PolarHBondContact OH-OE2 3.26Å; Y296-A341 HydrophobicContact CD2-CB 3.94Å; Y296-A341 HydrophobicContact CG-CB 3.97Å
297	L	95.4	Very high	93.3	Very high	56 Å²	56	45.8 Å²	45.8	29%	0.293	24%	0.24	S	C	.	.	H	α-helix	trans	-103.7	-23.9	-169.5	-56.9	176.3	0	0	0	113.3	R293 S294 Q299 T338 A341	R293-L297 WeakPolarHBondContact O-CG 3.19Å; R293-L297 PolarHBondContact O-N 2.7Å; S294-L297 PolarHBondContact O-N 2.57Å; L297-Q299 PolarHBondContact O-NE2 3.22Å; L297-T338 HydrophobicContact CD2-CG2 3.99Å; L297-A341 HydrophobicContact CG-CB 4.49Å
298	G	91.7	Very high	93.5	Very high	20 Å²	20	48.6 Å²	48.6	21%	0.206	26%	0.264	C	S	.	.			trans	-63.6	149.8	-176	0	0	0	0	0	112.5	S294	S294-G298 VanDerWaalsContact O-CA 3.26Å; S294-G298 WeakPolarHBondContact O-CA 3.48Å; S294-G298 PolarHBondContact O-N 2.89Å
299	Q	92.4	Very high	93.5	Very high	167 Å²	167	48.6 Å²	48.6	78%	0.78	27%	0.266	S	S	*	.			trans	-117.2	3.2	178.6	-58.3	-60.1	-52.4	0	0	111.9	L297	L297-Q299 PolarHBondContact O-NE2 3.22Å
300	D	91.3	Very high	93.6	Very high	60 Å²	60	46.7 Å²	46.7	32%	0.321	25%	0.254	S	S	.	.	S	Bend	trans	-70	159.2	172	65.2	91.9	0	0	0	111	D302 S303 V304 Y749	D300-D302 VanDerWaalsContact C-N 3.33Å; D300-D302 PolarHBondContact O-N 2.79Å; D300-D302 PolarHBondContact OD1-N 3.25Å; D300-S303 PolarHBondContact O-N 2.6Å; D300-S303 WeakPolarHBondContact OD1-CB 3.32Å; D300-S303 PolarHBondContact OD1-N 3.37Å; D300-S303 PolarHBondContact OD1-OG 2.93Å; D300-S303 VanDerWaalsContact OD1-OG 3.06Å; D300-S303 WeakPolarHBondContact OD2-CB 3.47Å; D300-S303 PolarHBondContact OD2-OG 3.12Å; D300-V304 WeakPolarHBondContact O-CG2 3.18Å; D300-V304 PolarHBondContact O-N 2.97Å; D300-Y749 PolarHBondContact OD1-OH 3.06Å; D300-Y749 PolarHBondContact OD2-OH 3.38Å
301	E	90.8	Very high	93.7	Very high	170 Å²	170	50 Å²	50	79%	0.794	27%	0.268	S	S	*	.	H	α-helix	trans	-58.3	-43.3	-174.1	-174.3	178.1	172	0	0	112.5	K305	E301-K305 VanDerWaalsContact O-CB 3.27Å; E301-K305 WeakPolarHBondContact O-CB 3.29Å; E301-K305 PolarHBondContact O-N 3.3Å
302	D	90.1	Very high	94	Very high	34 Å²	34	48.7 Å²	48.7	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-68.3	-45.4	-177.3	-72.8	-50.4	0	0	0	111.2	D300 K305 I306 Y749	D300-D302 VanDerWaalsContact C-N 3.33Å; D300-D302 PolarHBondContact O-N 2.79Å; D300-D302 PolarHBondContact OD1-N 3.25Å; D302-K305 PolarHBondContact O-N 3.34Å; D302-I306 WeakPolarHBondContact O-CB 3.49Å; D302-I306 VanDerWaalsContact O-CG1 3.26Å; D302-I306 WeakPolarHBondContact O-CG1 3.36Å; D302-I306 PolarHBondContact O-N 3.06Å; D302-Y749 HydrophobicContact CB-CD1 3.51Å; D302-Y749 HydrophobicContact CB-CE1 3.37Å; D302-Y749 HydrophobicContact CB-CE2 4.4Å; D302-Y749 HydrophobicContact CB-CG 4.08Å
303	S	92.9	Very high	94.3	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-46.1	176.2	-61.6	0	0	0	0	112.3	D300 K305 I306 L307 Y749	D300-S303 PolarHBondContact O-N 2.6Å; D300-S303 WeakPolarHBondContact OD1-CB 3.32Å; D300-S303 PolarHBondContact OD1-N 3.37Å; D300-S303 PolarHBondContact OD1-OG 2.93Å; D300-S303 VanDerWaalsContact OD1-OG 3.06Å; D300-S303 WeakPolarHBondContact OD2-CB 3.47Å; D300-S303 PolarHBondContact OD2-OG 3.12Å; S303-K305 VanDerWaalsContact C-N 3.31Å; S303-K305 PolarHBondContact O-N 3.04Å; S303-I306 PolarHBondContact O-N 2.98Å; S303-L307 WeakPolarHBondContact O-CB 3.3Å; S303-L307 PolarHBondContact O-N 3.38Å; S303-Y749 PolarHBondContact OG-OH 3.25Å
304	V	94.4	Very high	94.5	Very high	76 Å²	76	46.5 Å²	46.5	46%	0.461	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-42.2	178.6	171.2	0	0	0	0	110.8	D300 A308	D300-V304 WeakPolarHBondContact O-CG2 3.18Å; D300-V304 PolarHBondContact O-N 2.97Å; V304-A308 WeakPolarHBondContact O-CB 3.4Å; V304-A308 PolarHBondContact O-N 3.33Å; V304-A308 VanDerWaalsContact O-N 3.07Å
305	K	93.8	Very high	94.8	Very high	78 Å²	78	47.1 Å²	47.1	34%	0.339	26%	0.257	S	S	.	.	H	α-helix	trans	-64.9	-45.9	178.1	-172.2	-173.3	178.3	-149.3	0	111.9	E301 D302 S303 A308 A309 E447	E301-K305 VanDerWaalsContact O-CB 3.27Å; E301-K305 WeakPolarHBondContact O-CB 3.29Å; E301-K305 PolarHBondContact O-N 3.3Å; D302-K305 PolarHBondContact O-N 3.34Å; S303-K305 VanDerWaalsContact C-N 3.31Å; S303-K305 PolarHBondContact O-N 3.04Å; K305-A308 PolarHBondContact O-N 3.27Å; K305-A309 WeakPolarHBondContact O-CB 3.47Å; K305-A309 PolarHBondContact O-N 2.69Å; K305-E447 WeakPolarHBondContact CE-OE2 3.4Å; K305-E447 IonicContact NZ-OE2 3.23Å; K305-E447 PolarHBondContact NZ-OE2 2.82Å
306	I	94.7	Very high	94.9	Very high	8 Å²	8	52 Å²	52	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-44.1	179.2	-70.5	164.8	0	0	0	110.7	L290 L295 D302 S303 A308 A309 Y310 I448 Y749	L290-I306 HydrophobicContact CD1-CG2 4.3Å; L290-I306 HydrophobicContact CD2-CG2 4.18Å; L295-I306 HydrophobicContact CD2-CD1 3.91Å; L295-I306 HydrophobicContact CD2-CG2 4.43Å; D302-I306 WeakPolarHBondContact O-CB 3.49Å; D302-I306 VanDerWaalsContact O-CG1 3.26Å; D302-I306 WeakPolarHBondContact O-CG1 3.36Å; D302-I306 PolarHBondContact O-N 3.06Å; S303-I306 PolarHBondContact O-N 2.98Å; I306-A308 VanDerWaalsContact C-N 3.32Å; I306-A308 PolarHBondContact O-N 3.12Å; I306-A309 PolarHBondContact O-N 3.28Å; I306-Y310 WeakPolarHBondContact O-CB 3.46Å; I306-Y310 PolarHBondContact O-N 3.06Å; I306-I448 HydrophobicContact CD1-CG1 4.17Å; I306-I448 HydrophobicContact CG1-CG1 4.38Å; I306-I448 HydrophobicContact CG2-CD1 4.19Å; I306-I448 HydrophobicContact CG2-CG1 4.4Å; I306-Y749 HydrophobicContact CD1-CD1 4.26Å; I306-Y749 HydrophobicContact CD1-CE1 4.25Å
307	L	96.2	Very high	94.9	Very high	42 Å²	42	51.7 Å²	51.7	22%	0.22	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-38.4	178.2	-172.8	61.8	0	0	0	111.9	L290 Y296 S303 Y310 K311 I334	L290-L307 HydrophobicContact CD1-CD1 4.17Å; Y296-L307 HydrophobicContact CD1-CD1 3.98Å; Y296-L307 HydrophobicContact CE1-CD1 4.41Å; S303-L307 WeakPolarHBondContact O-CB 3.3Å; S303-L307 PolarHBondContact O-N 3.38Å; L307-Y310 HydrophobicContact CD1-CD1 4.29Å; L307-Y310 PolarHBondContact O-N 2.85Å; L307-K311 PolarHBondContact O-N 3.18Å; L307-I334 HydrophobicContact CD1-CG2 4.16Å
308	A	95.9	Very high	94.8	Very high	59 Å²	59	49 Å²	49	49%	0.488	26%	0.26	S	S	.	.	H	α-helix	trans	-65.8	-43.3	174	0	0	0	0	0	112.3	V304 K305 I306 Y310 K311 A312	V304-A308 WeakPolarHBondContact O-CB 3.4Å; V304-A308 PolarHBondContact O-N 3.33Å; V304-A308 VanDerWaalsContact O-N 3.07Å; K305-A308 PolarHBondContact O-N 3.27Å; I306-A308 VanDerWaalsContact C-N 3.32Å; I306-A308 PolarHBondContact O-N 3.12Å; A308-Y310 VanDerWaalsContact C-N 3.32Å; A308-Y310 PolarHBondContact O-N 3.18Å; A308-K311 PolarHBondContact O-N 3.18Å; A308-A312 PolarHBondContact O-N 3.37Å
309	A	96.4	Very high	94.9	Very high	18 Å²	18	51.5 Å²	51.5	15%	0.149	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-38.6	175.6	0	0	0	0	0	111.7	K305 I306 A312 L313 F444 E447	K305-A309 WeakPolarHBondContact O-CB 3.47Å; K305-A309 PolarHBondContact O-N 2.69Å; I306-A309 PolarHBondContact O-N 3.28Å; A309-A312 PolarHBondContact O-N 3.17Å; A309-L313 PolarHBondContact O-N 2.83Å; A309-F444 HydrophobicContact CB-CD2 3.91Å; A309-F444 HydrophobicContact CB-CE2 4.18Å; A309-E447 HydrophobicContact CB-CB 3.99Å; A309-E447 HydrophobicContact CB-CG 4.16Å
310	Y	97.5	Very high	95	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	25%	0.25	C	S	.	.	H	α-helix	trans	-63.4	-42.8	174.9	176.1	-125.3	0	0	0	112.3	T289 L290 Y296 I306 L307 A308 A312 L313 M314 I334 E337 W423	T289-Y310 WeakPolarHBondContact CB-OH 3.47Å; T289-Y310 HydrophobicContact CG2-CE2 3.58Å; T289-Y310 PolarHBondContact OG1-OH 3.04Å; L290-Y310 HydrophobicContact CD1-CD1 4.01Å; L290-Y310 HydrophobicContact CD1-CG 4.23Å; L290-Y310 HydrophobicContact CD2-CD1 4.4Å; L290-Y310 HydrophobicContact CD2-CD2 4.05Å; L290-Y310 HydrophobicContact CD2-CG 3.91Å; L290-Y310 HydrophobicContact CG-CD1 4.06Å; L290-Y310 HydrophobicContact CG-CD2 4.45Å; L290-Y310 HydrophobicContact CG-CE1 4.42Å; L290-Y310 HydrophobicContact CG-CG 4.09Å; Y296-Y310 HydrophobicContact CE1-CE1 4.14Å; I306-Y310 WeakPolarHBondContact O-CB 3.46Å; I306-Y310 PolarHBondContact O-N 3.06Å; L307-Y310 HydrophobicContact CD1-CD1 4.29Å; L307-Y310 PolarHBondContact O-N 2.85Å; A308-Y310 VanDerWaalsContact C-N 3.32Å; A308-Y310 PolarHBondContact O-N 3.18Å; Y310-A312 VanDerWaalsContact C-N 3.34Å; Y310-A312 PolarHBondContact O-N 3.38Å; Y310-L313 WeakPolarHBondContact O-CB 3.39Å; Y310-L313 PolarHBondContact O-N 3.29Å; Y310-M314 HydrophobicContact CD1-CE 4.5Å; Y310-M314 HydrophobicContact CE1-CE 3.67Å; Y310-M314 HydrophobicContact CE2-CE 4.06Å; Y310-M314 WeakPolarHBondContact O-CB 3.35Å; Y310-M314 PolarHBondContact O-N 2.88Å; Y310-M314 WeakPolarHBondContact OH-CE 3.47Å; Y310-I334 HydrophobicContact CD1-CD1 4.27Å; Y310-I334 HydrophobicContact CD1-CG1 4.25Å; Y310-I334 HydrophobicContact CE1-CD1 4.44Å; Y310-I334 HydrophobicContact CE1-CG1 3.97Å; Y310-E337 VanDerWaalsContact CE1-OE2 3.22Å; Y310-E337 WeakPolarHBondContact CE1-OE2 2.96Å; Y310-E337 VanDerWaalsContact CZ-OE2 3.32Å; Y310-E337 VanDerWaalsContact OH-CD 3.23Å; Y310-E337 PolarHBondContact OH-OE1 2.72Å; Y310-E337 VanDerWaalsContact OH-OE1 3.09Å; Y310-E337 PolarHBondContact OH-OE2 3.17Å; Y310-W423 AromaticContact CE2-CZ2 3.7Å; Y310-W423 HydrophobicContact CE2-CZ2 3.7Å; Y310-W423 AromaticContact CZ-NE1 3.92Å; Y310-W423 PolarHBondContact OH-NE1 2.94Å
311	K	97.6	Very high	95	Very high	73 Å²	73	44.3 Å²	44.3	32%	0.317	24%	0.24	S	C	.	.	H	α-helix	trans	-59.3	-44.1	172.6	-176.6	170.5	179.7	-69.2	0	112	L307 A308 M314 E315 I334	L307-K311 PolarHBondContact O-N 3.18Å; A308-K311 PolarHBondContact O-N 3.18Å; K311-M314 PolarHBondContact O-N 3.08Å; K311-E315 WeakPolarHBondContact CE-OE1 3.48Å; K311-E315 IonicContact NZ-OE1 2.73Å; K311-E315 PolarHBondContact NZ-OE1 3.45Å; K311-E315 WeakPolarHBondContact O-CG 3.41Å; K311-E315 PolarHBondContact O-N 3.35Å; K311-I334 HydrophobicContact CB-CD1 3.54Å; K311-I334 HydrophobicContact CD-CD1 4.26Å; K311-I334 HydrophobicContact CG-CD1 3.81Å
312	A	96.9	Very high	94.8	Very high	54 Å²	54	38 Å²	38	45%	0.446	22%	0.221	S	C	.	.	H	α-helix	trans	-64.6	-42.4	178.3	0	0	0	0	0	112.3	A308 A309 Y310 M314 E315 R316	A308-A312 PolarHBondContact O-N 3.37Å; A309-A312 PolarHBondContact O-N 3.17Å; Y310-A312 VanDerWaalsContact C-N 3.34Å; Y310-A312 PolarHBondContact O-N 3.38Å; A312-M314 VanDerWaalsContact C-N 3.34Å; A312-M314 PolarHBondContact O-N 2.98Å; A312-E315 PolarHBondContact O-N 3.31Å; A312-R316 WeakPolarHBondContact O-CB 3.37Å; A312-R316 PolarHBondContact O-N 3.33Å
313	L	97.4	Very high	94.6	Very high	21 Å²	21	36.8 Å²	36.8	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-55.7	-50.9	172.8	171.2	63.9	0	0	0	110.8	A309 Y310 R316 L317 T440 I441 F444	A309-L313 PolarHBondContact O-N 2.83Å; Y310-L313 WeakPolarHBondContact O-CB 3.39Å; Y310-L313 PolarHBondContact O-N 3.29Å; L313-R316 PolarHBondContact O-N 2.83Å; L313-L317 HydrophobicContact CD1-CD1 3.71Å; L313-L317 HydrophobicContact CD1-CG 3.92Å; L313-L317 HydrophobicContact CG-CD1 4.11Å; L313-L317 WeakPolarHBondContact O-CG 3.13Å; L313-L317 PolarHBondContact O-N 2.71Å; L313-T440 HydrophobicContact CD1-CG2 3.83Å; L313-I441 HydrophobicContact CD1-CG1 4.43Å; L313-F444 HydrophobicContact CB-CB 4.15Å; L313-F444 HydrophobicContact CB-CD2 4.41Å; L313-F444 HydrophobicContact CB-CG 4.32Å; L313-F444 HydrophobicContact CD1-CB 4.28Å; L313-F444 HydrophobicContact CD2-CB 3.87Å; L313-F444 HydrophobicContact CD2-CD1 3.67Å; L313-F444 HydrophobicContact CD2-CD2 4.29Å; L313-F444 HydrophobicContact CD2-CE1 4.3Å; L313-F444 HydrophobicContact CD2-CG 3.66Å; L313-F444 HydrophobicContact CG-CB 4.31Å; L313-F444 HydrophobicContact CG-CG 4.49Å
314	M	97.7	Very high	94.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-51.4	-178.7	-170	-178	-57.9	0	0	111.2	Y310 K311 A312 R316 L317 L318 S330 I333 I334 W423	Y310-M314 HydrophobicContact CD1-CE 4.5Å; Y310-M314 HydrophobicContact CE1-CE 3.67Å; Y310-M314 HydrophobicContact CE2-CE 4.06Å; Y310-M314 WeakPolarHBondContact O-CB 3.35Å; Y310-M314 PolarHBondContact O-N 2.88Å; Y310-M314 WeakPolarHBondContact OH-CE 3.47Å; K311-M314 PolarHBondContact O-N 3.08Å; A312-M314 VanDerWaalsContact C-N 3.34Å; A312-M314 PolarHBondContact O-N 2.98Å; M314-R316 VanDerWaalsContact C-N 3.29Å; M314-R316 PolarHBondContact O-N 2.89Å; M314-L317 PolarHBondContact O-N 2.78Å; M314-L318 HydrophobicContact CG-CD1 4.01Å; M314-L318 HydrophobicContact CG-CG 4.29Å; M314-L318 WeakPolarHBondContact O-CB 3.4Å; M314-L318 WeakPolarHBondContact O-CG 3.49Å; M314-L318 PolarHBondContact O-N 3.2Å; M314-S330 WeakPolarHBondContact SD-CA 3.43Å; M314-I333 HydrophobicContact CE-CB 4.28Å; M314-I333 HydrophobicContact CE-CG2 3.7Å; M314-I333 HydrophobicContact SD-CB 3.81Å; M314-I333 HydrophobicContact SD-CD1 3.98Å; M314-I333 HydrophobicContact SD-CG2 3.81Å; M314-I334 HydrophobicContact CE-CD1 4.25Å; M314-I334 HydrophobicContact CE-CG1 3.72Å; M314-I334 HydrophobicContact SD-CG1 4.34Å; M314-W423 VanDerWaalsContact CA-CH2 3.46Å; M314-W423 HydrophobicContact CB-CH2 3.66Å; M314-W423 HydrophobicContact CB-CZ2 3.99Å; M314-W423 HydrophobicContact CB-CZ3 3.99Å; M314-W423 HydrophobicContact CE-CD2 4.1Å; M314-W423 HydrophobicContact CE-CG 4.44Å; M314-W423 HydrophobicContact CE-CZ2 3.81Å; M314-W423 HydrophobicContact CG-CD2 3.9Å; M314-W423 HydrophobicContact CG-CE3 3.67Å; M314-W423 HydrophobicContact CG-CH2 3.65Å; M314-W423 HydrophobicContact CG-CZ2 3.88Å; M314-W423 HydrophobicContact CG-CZ3 3.55Å; M314-W423 HydrophobicContact SD-CD2 4.26Å
315	E	96.3	Very high	93.7	Very high	41 Å²	41	41.4 Å²	41.4	19%	0.192	24%	0.235	C	C	.	.	H	α-helix	trans	-56.7	-42.2	178.8	-73.2	176.2	-172.2	0	0	112.9	K311 A312 S319 S330	K311-E315 WeakPolarHBondContact CE-OE1 3.48Å; K311-E315 IonicContact NZ-OE1 2.73Å; K311-E315 PolarHBondContact NZ-OE1 3.45Å; K311-E315 WeakPolarHBondContact O-CG 3.41Å; K311-E315 PolarHBondContact O-N 3.35Å; A312-E315 PolarHBondContact O-N 3.31Å; E315-S319 WeakPolarHBondContact O-CB 3.35Å; E315-S319 PolarHBondContact O-N 3.08Å; E315-S319 PolarHBondContact O-OG 3.49Å; E315-S330 WeakPolarHBondContact CG-OG 3Å; E315-S330 PolarHBondContact OE1-OG 3.05Å
316	R	96.5	Very high	93.7	Very high	104 Å²	104	38.1 Å²	38.1	39%	0.392	22%	0.223	S	C	.	.	H	α-helix	trans	-68.9	-46.4	-179.4	-174	160.6	162.9	-177.7	-11.4	111.9	A312 L313 M314 S319 M320 T440 E443	A312-R316 WeakPolarHBondContact O-CB 3.37Å; A312-R316 PolarHBondContact O-N 3.33Å; L313-R316 PolarHBondContact O-N 2.83Å; M314-R316 VanDerWaalsContact C-N 3.29Å; M314-R316 PolarHBondContact O-N 2.89Å; R316-S319 PolarHBondContact O-N 2.7Å; R316-M320 HydrophobicContact CG-SD 3.96Å; R316-M320 WeakPolarHBondContact O-CB 3.21Å; R316-M320 WeakPolarHBondContact O-CG 3.43Å; R316-M320 PolarHBondContact O-N 2.86Å; R316-T440 HydrophobicContact CB-CG2 3.99Å; R316-T440 HydrophobicContact CG-CG2 3.68Å; R316-T440 PolarHBondContact NE-OG1 2.91Å; R316-T440 VanDerWaalsContact NE-OG1 3.12Å; R316-T440 PolarHBondContact NH2-OG1 3.14Å; R316-E443 IonicContact CZ-OE1 3.95Å; R316-E443 IonicContact CZ-OE2 3.26Å; R316-E443 VanDerWaalsContact NH1-CD 3.33Å; R316-E443 IonicContact NH1-OE1 3.98Å; R316-E443 PolarHBondContact NH1-OE1 2.72Å; R316-E443 IonicContact NH1-OE2 3.94Å; R316-E443 PolarHBondContact NH1-OE2 3.03Å; R316-E443 IonicContact NH2-OE1 3.4Å; R316-E443 PolarHBondContact NH2-OE1 3.27Å; R316-E443 IonicContact NH2-OE2 3.24Å
317	L	96.9	Very high	93.6	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-42.5	177.4	-70.3	-176.8	0	0	0	111.9	L313 M314 S319 M320 L321 W423 V426 F437 T440	L313-L317 HydrophobicContact CD1-CD1 3.71Å; L313-L317 HydrophobicContact CD1-CG 3.92Å; L313-L317 HydrophobicContact CG-CD1 4.11Å; L313-L317 WeakPolarHBondContact O-CG 3.13Å; L313-L317 PolarHBondContact O-N 2.71Å; M314-L317 PolarHBondContact O-N 2.78Å; L317-S319 VanDerWaalsContact C-N 3.33Å; L317-S319 PolarHBondContact O-N 2.81Å; L317-M320 HydrophobicContact CD2-SD 4.47Å; L317-M320 PolarHBondContact O-N 3.12Å; L317-L321 WeakPolarHBondContact O-CB 3.35Å; L317-L321 VanDerWaalsContact O-CG 3.3Å; L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 2.96Å; L317-L321 VanDerWaalsContact O-N 3.07Å; L317-W423 HydrophobicContact CB-CZ3 4.19Å; L317-W423 HydrophobicContact CD1-CH2 4.06Å; L317-W423 HydrophobicContact CD1-CZ3 4.16Å; L317-V426 HydrophobicContact CB-CG1 4.34Å; L317-V426 HydrophobicContact CD1-CG1 4.36Å; L317-F437 HydrophobicContact CD2-CD1 3.65Å; L317-F437 HydrophobicContact CD2-CE1 4.15Å; L317-T440 HydrophobicContact CD2-CG2 4.01Å; L317-T440 HydrophobicContact CG-CG2 4.27Å
318	L	94.5	Very high	93.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-45	174.9	-69.5	-174	0	0	0	111.6	W225 M314 L321 G322 A323 A326 K329 W423	W225-L318 HydrophobicContact CD2-CD2 4.42Å; W225-L318 HydrophobicContact CE3-CD2 4.04Å; W225-L318 HydrophobicContact CH2-CD1 4.13Å; W225-L318 HydrophobicContact CH2-CD2 3.06Å; W225-L318 HydrophobicContact CH2-CG 4.21Å; W225-L318 HydrophobicContact CZ2-CD2 3.44Å; W225-L318 VanDerWaalsContact CZ2-CD2 3.44Å; W225-L318 HydrophobicContact CZ3-CD1 3.93Å; W225-L318 HydrophobicContact CZ3-CD2 3.35Å; W225-L318 HydrophobicContact CZ3-CG 4.22Å; M314-L318 HydrophobicContact CG-CD1 4.01Å; M314-L318 HydrophobicContact CG-CG 4.29Å; M314-L318 WeakPolarHBondContact O-CB 3.4Å; M314-L318 WeakPolarHBondContact O-CG 3.49Å; M314-L318 PolarHBondContact O-N 3.2Å; L318-L321 PolarHBondContact O-N 2.82Å; L318-G322 PolarHBondContact O-N 3.48Å; L318-A323 HydrophobicContact CB-CB 4.08Å; L318-A323 WeakPolarHBondContact O-CB 3.39Å; L318-A323 PolarHBondContact O-N 3.32Å; L318-A326 HydrophobicContact CB-CB 3.84Å; L318-K329 HydrophobicContact CD1-CB 4.1Å; L318-W423 HydrophobicContact CD2-CE3 4.22Å
319	S	92.9	Very high	93.3	Very high	72 Å²	72	41.7 Å²	41.7	50%	0.503	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-42.5	177.8	-57.5	0	0	0	0	112.1	E315 R316 L317 L321 G322 A326	E315-S319 WeakPolarHBondContact O-CB 3.35Å; E315-S319 PolarHBondContact O-N 3.08Å; E315-S319 PolarHBondContact O-OG 3.49Å; R316-S319 PolarHBondContact O-N 2.7Å; L317-S319 VanDerWaalsContact C-N 3.33Å; L317-S319 PolarHBondContact O-N 2.81Å; S319-L321 PolarHBondContact O-N 3.2Å; S319-G322 PolarHBondContact O-N 3.04Å; S319-A326 WeakPolarHBondContact OG-CB 3.4Å
320	M	93.9	Very high	93.3	Very high	55 Å²	55	40.8 Å²	40.8	27%	0.271	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-25.4	177.2	-71.6	171.6	62.1	0	0	113.3	R316 L317 A436 F437	R316-M320 HydrophobicContact CG-SD 3.96Å; R316-M320 WeakPolarHBondContact O-CB 3.21Å; R316-M320 WeakPolarHBondContact O-CG 3.43Å; R316-M320 PolarHBondContact O-N 2.86Å; L317-M320 HydrophobicContact CD2-SD 4.47Å; L317-M320 PolarHBondContact O-N 3.12Å; M320-A436 HydrophobicContact CE-CB 3.7Å; M320-F437 HydrophobicContact CB-CE1 4.19Å; M320-F437 HydrophobicContact CB-CZ 3.91Å; M320-F437 HydrophobicContact CE-CB 4.45Å; M320-F437 HydrophobicContact CE-CD1 4.03Å; M320-F437 HydrophobicContact CE-CD2 3.57Å; M320-F437 HydrophobicContact CE-CE1 4.08Å; M320-F437 HydrophobicContact CE-CE2 3.64Å; M320-F437 HydrophobicContact CE-CG 3.76Å; M320-F437 HydrophobicContact CE-CZ 3.89Å
321	L	92.1	Very high	93.3	Very high	21 Å²	21	45.7 Å²	45.7	11%	0.11	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	2.2	176	-66.7	167.5	0	0	0	113	M215 L219 L317 L318 S319 V426 F437	M215-L321 HydrophobicContact CB-CD2 3.89Å; M215-L321 HydrophobicContact CG-CD1 4.14Å; M215-L321 HydrophobicContact CG-CD2 3.55Å; L219-L321 HydrophobicContact CD1-CD1 4.16Å; L219-L321 HydrophobicContact CD1-CD2 4.42Å; L317-L321 WeakPolarHBondContact O-CB 3.35Å; L317-L321 VanDerWaalsContact O-CG 3.3Å; L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 2.96Å; L317-L321 VanDerWaalsContact O-N 3.07Å; L318-L321 PolarHBondContact O-N 2.82Å; S319-L321 PolarHBondContact O-N 3.2Å; L321-V426 HydrophobicContact CD1-CB 4.33Å; L321-V426 HydrophobicContact CD1-CG1 3.62Å; L321-V426 HydrophobicContact CD1-CG2 3.67Å; L321-F437 HydrophobicContact CD1-CE1 4.38Å; L321-F437 HydrophobicContact CD2-CE1 3.81Å; L321-F437 HydrophobicContact CD2-CZ 3.72Å; L321-F437 HydrophobicContact CG-CE1 3.89Å; L321-F437 HydrophobicContact CG-CZ 4.09Å
322	G	86.4	Confident	93.2	Very high	38 Å²	38	43 Å²	43	39%	0.392	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	17.4	177.2	0	0	0	0	0	114.8	L318 S319 H324	L318-G322 PolarHBondContact O-N 3.48Å; S319-G322 PolarHBondContact O-N 3.04Å; G322-H324 PolarHBondContact O-N 3.43Å
323	A	86.4	Confident	93.3	Very high	8 Å²	8	40.5 Å²	40.5	7%	0.066	22%	0.215	C	C	.	.			trans	-73.7	125.9	176.8	0	0	0	0	0	111.5	W225 L318	W225-A323 HydrophobicContact CB-CB 4.3Å; W225-A323 HydrophobicContact CD2-CB 3.94Å; W225-A323 HydrophobicContact CE3-CB 3.54Å; W225-A323 HydrophobicContact CG-CB 4.24Å; W225-A323 HydrophobicContact CZ3-CB 4.3Å; L318-A323 HydrophobicContact CB-CB 4.08Å; L318-A323 WeakPolarHBondContact O-CB 3.39Å; L318-A323 PolarHBondContact O-N 3.32Å
324	H	81.9	Confident	93.3	Very high	65 Å²	65	40.3 Å²	40.3	30%	0.301	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	153.2	173.7	-60.8	-70.7	0	0	0	112.3	D226 E228 G322 A326 K329	D226-H324 PolarHBondContact O-CD2 2.79Å; D226-H324 VanDerWaalsContact O-CD2 3.3Å; E228-H324 WeakPolarHBondContact CA-NE2 3.3Å; E228-H324 WeakPolarHBondContact CB-NE2 3.36Å; E228-H324 PolarHBondContact N-CD2 2.83Å; E228-H324 PolarHBondContact N-NE2 3.21Å; E228-H324 IonicContact OE1-CE1 2.71Å; G322-H324 PolarHBondContact O-N 3.43Å; H324-A326 PolarHBondContact O-N 3Å; H324-K329 WeakPolarHBondContact O-CD 3.4Å; H324-K329 WeakPolarHBondContact O-CE 3.44Å
325	N	86.8	Confident	93.3	Very high	109 Å²	109	44.7 Å²	44.7	58%	0.583	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	42.3	179.8	-60.9	-34.4	0	0	0	112.4	T327 Q328 K329	N325-T327 PolarHBondContact O-N 2.81Å; N325-T327 VanDerWaalsContact O-N 3.15Å; N325-Q328 HydrophobicContact CB-CB 4.19Å; N325-Q328 PolarHBondContact O-N 2.93Å; N325-K329 PolarHBondContact O-N 3.08Å
326	A	92.1	Very high	93.4	Very high	9 Å²	9	42.9 Å²	42.9	7%	0.074	23%	0.226	C	C	.	.	H	α-helix	trans	-50.2	-40.8	-176.9	0	0	0	0	0	112.8	L318 S319 H324 K329 S330	L318-A326 HydrophobicContact CB-CB 3.84Å; S319-A326 WeakPolarHBondContact OG-CB 3.4Å; H324-A326 PolarHBondContact O-N 3Å; A326-K329 PolarHBondContact O-N 3.29Å; A326-S330 VanDerWaalsContact O-CB 3.27Å; A326-S330 WeakPolarHBondContact O-CB 3.49Å; A326-S330 PolarHBondContact O-N 2.85Å; A326-S330 PolarHBondContact O-OG 3.27Å
327	T	93.6	Very high	93.5	Very high	84 Å²	84	38 Å²	38	52%	0.515	21%	0.208	S	C	.	.	H	α-helix	trans	-63.8	-37.8	176	-53.5	0	0	0	0	113.9	N325 S330 K331	N325-T327 PolarHBondContact O-N 2.81Å; N325-T327 VanDerWaalsContact O-N 3.15Å; T327-S330 WeakPolarHBondContact CA-OG 3.41Å; T327-S330 PolarHBondContact O-OG 2.97Å; T327-K331 WeakPolarHBondContact O-CB 3.39Å; T327-K331 PolarHBondContact O-N 3.09Å
328	Q	92.6	Very high	93.6	Very high	93 Å²	93	39.9 Å²	39.9	44%	0.435	22%	0.22	S	C	.	.	H	α-helix	trans	-74.2	-44	177.2	179.7	58.7	29.9	0	0	110.5	N325 S330 K331 E332	N325-Q328 HydrophobicContact CB-CB 4.19Å; N325-Q328 PolarHBondContact O-N 2.93Å; Q328-S330 VanDerWaalsContact C-N 3.32Å; Q328-S330 PolarHBondContact O-N 3.07Å; Q328-K331 PolarHBondContact O-N 3.25Å; Q328-E332 WeakPolarHBondContact CG-OE1 3.41Å; Q328-E332 PolarHBondContact NE2-OE1 3.15Å; Q328-E332 WeakPolarHBondContact O-CG 3.13Å; Q328-E332 PolarHBondContact O-N 3.45Å
329	K	92	Very high	93.8	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-41.2	177.3	-67.6	-177.6	-179.9	-84.3	0	111	W225 D226 L318 H324 N325 A326 E332 I333 N419	W225-K329 HydrophobicContact CE3-CD 3.58Å; W225-K329 HydrophobicContact CZ3-CB 4.27Å; W225-K329 HydrophobicContact CZ3-CD 3.58Å; W225-K329 HydrophobicContact CZ3-CG 4.5Å; D226-K329 IonicContact OD2-NZ 3.8Å; D226-K329 PolarHBondContact OD2-NZ 2.67Å; L318-K329 HydrophobicContact CD1-CB 4.1Å; H324-K329 WeakPolarHBondContact O-CD 3.4Å; H324-K329 WeakPolarHBondContact O-CE 3.44Å; N325-K329 PolarHBondContact O-N 3.08Å; A326-K329 PolarHBondContact O-N 3.29Å; K329-E332 PolarHBondContact O-N 3.42Å; K329-I333 WeakPolarHBondContact O-CB 3.4Å; K329-I333 WeakPolarHBondContact O-CD1 3.07Å; K329-I333 VanDerWaalsContact O-CG1 3.23Å; K329-I333 WeakPolarHBondContact O-CG1 3.25Å; K329-I333 PolarHBondContact O-N 3.41Å; K329-N419 PolarHBondContact NZ-ND2 3.49Å; K329-N419 PolarHBondContact NZ-OD1 3.16Å; K329-N419 VanDerWaalsContact NZ-OD1 3.16Å
330	S	96.6	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-44.8	178.1	68	0	0	0	0	111.8	M314 E315 A326 T327 Q328 E332 I333 I334	M314-S330 WeakPolarHBondContact SD-CA 3.43Å; E315-S330 WeakPolarHBondContact CG-OG 3Å; E315-S330 PolarHBondContact OE1-OG 3.05Å; A326-S330 VanDerWaalsContact O-CB 3.27Å; A326-S330 WeakPolarHBondContact O-CB 3.49Å; A326-S330 PolarHBondContact O-N 2.85Å; A326-S330 PolarHBondContact O-OG 3.27Å; T327-S330 WeakPolarHBondContact CA-OG 3.41Å; T327-S330 PolarHBondContact O-OG 2.97Å; Q328-S330 VanDerWaalsContact C-N 3.32Å; Q328-S330 PolarHBondContact O-N 3.07Å; S330-E332 PolarHBondContact O-N 3.17Å; S330-I333 PolarHBondContact O-N 3.5Å; S330-I334 WeakPolarHBondContact O-CB 3.08Å; S330-I334 VanDerWaalsContact O-CG1 3.28Å; S330-I334 WeakPolarHBondContact O-CG1 3.29Å; S330-I334 PolarHBondContact O-N 3.19Å
331	K	97.1	Very high	94.2	Very high	103 Å²	103	38.3 Å²	38.3	45%	0.448	20%	0.204	S	C	.	.	H	α-helix	trans	-58.3	-48.3	175.8	-178.7	176.1	172.6	179.3	0	111.8	T327 Q328 I333 I334 E335	T327-K331 WeakPolarHBondContact O-CB 3.39Å; T327-K331 PolarHBondContact O-N 3.09Å; Q328-K331 PolarHBondContact O-N 3.25Å; K331-I333 PolarHBondContact O-N 2.89Å; K331-I334 PolarHBondContact O-N 3.31Å; K331-E335 WeakPolarHBondContact CE-OE1 3.42Å; K331-E335 WeakPolarHBondContact CG-OE1 3.4Å; K331-E335 WeakPolarHBondContact O-CB 3.5Å; K331-E335 VanDerWaalsContact O-CG 3.29Å; K331-E335 WeakPolarHBondContact O-CG 3.2Å; K331-E335 PolarHBondContact O-N 3.15Å
332	E	96.9	Very high	94.4	Very high	18 Å²	18	42.2 Å²	42.2	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-38.7	-179.8	-70.7	166.7	178.4	0	0	113.2	Q328 K329 S330 E335 L336 R415 V416	Q328-E332 WeakPolarHBondContact CG-OE1 3.41Å; Q328-E332 PolarHBondContact NE2-OE1 3.15Å; Q328-E332 WeakPolarHBondContact O-CG 3.13Å; Q328-E332 PolarHBondContact O-N 3.45Å; K329-E332 PolarHBondContact O-N 3.42Å; S330-E332 PolarHBondContact O-N 3.17Å; E332-E335 PolarHBondContact O-N 3.43Å; E332-L336 PolarHBondContact O-N 3.41Å; E332-R415 IonicContact OE1-CZ 3.11Å; E332-R415 IonicContact OE1-NH1 3.57Å; E332-R415 IonicContact OE1-NH2 3.46Å; E332-R415 PolarHBondContact OE1-NH2 2.76Å; E332-R415 IonicContact OE2-CZ 3.53Å; E332-R415 VanDerWaalsContact OE2-CZ 3.28Å; E332-R415 IonicContact OE2-NH1 3.1Å; E332-R415 PolarHBondContact OE2-NH1 3.33Å; E332-R415 IonicContact OE2-NH2 3.41Å; E332-R415 PolarHBondContact OE2-NH2 2.7Å; E332-R415 VanDerWaalsContact OE2-NH2 3.12Å; E332-V416 HydrophobicContact CB-CG1 4.24Å; E332-V416 HydrophobicContact CB-CG2 4.02Å; E332-V416 HydrophobicContact CG-CG2 4.27Å
333	I	97.8	Very high	94.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.7	-45.9	176.2	-69.3	161.7	0	0	0	109.9	W225 M314 K329 S330 K331 E335 L336 E337 N419 Y420 W423	W225-I333 HydrophobicContact CH2-CD1 4.06Å; M314-I333 HydrophobicContact CE-CB 4.28Å; M314-I333 HydrophobicContact CE-CG2 3.7Å; M314-I333 HydrophobicContact SD-CB 3.81Å; M314-I333 HydrophobicContact SD-CD1 3.98Å; M314-I333 HydrophobicContact SD-CG2 3.81Å; K329-I333 WeakPolarHBondContact O-CB 3.4Å; K329-I333 WeakPolarHBondContact O-CD1 3.07Å; K329-I333 VanDerWaalsContact O-CG1 3.23Å; K329-I333 WeakPolarHBondContact O-CG1 3.25Å; K329-I333 PolarHBondContact O-N 3.41Å; S330-I333 PolarHBondContact O-N 3.5Å; K331-I333 PolarHBondContact O-N 2.89Å; I333-E335 VanDerWaalsContact C-N 3.33Å; I333-E335 PolarHBondContact O-N 3.31Å; I333-L336 PolarHBondContact O-N 2.97Å; I333-E337 PolarHBondContact O-N 2.98Å; I333-N419 HydrophobicContact CD1-CB 4.15Å; I333-N419 HydrophobicContact CG1-CB 4.29Å; I333-Y420 HydrophobicContact CG2-CD2 4.29Å; I333-W423 HydrophobicContact CD1-CB 3.87Å; I333-W423 HydrophobicContact CD1-CG 4.3Å; I333-W423 HydrophobicContact CG2-CB 4.34Å; I333-W423 HydrophobicContact CG2-CG 4.02Å
334	I	98.4	Very high	95.3	Very high	18 Å²	18	41.8 Å²	41.8	9%	0.092	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-39.9	177.5	-69.5	172.2	0	0	0	110.9	L307 Y310 K311 M314 S330 K331 L336 E337 T338	L307-I334 HydrophobicContact CD1-CG2 4.16Å; Y310-I334 HydrophobicContact CD1-CD1 4.27Å; Y310-I334 HydrophobicContact CD1-CG1 4.25Å; Y310-I334 HydrophobicContact CE1-CD1 4.44Å; Y310-I334 HydrophobicContact CE1-CG1 3.97Å; K311-I334 HydrophobicContact CB-CD1 3.54Å; K311-I334 HydrophobicContact CD-CD1 4.26Å; K311-I334 HydrophobicContact CG-CD1 3.81Å; M314-I334 HydrophobicContact CE-CD1 4.25Å; M314-I334 HydrophobicContact CE-CG1 3.72Å; M314-I334 HydrophobicContact SD-CG1 4.34Å; S330-I334 WeakPolarHBondContact O-CB 3.08Å; S330-I334 VanDerWaalsContact O-CG1 3.28Å; S330-I334 WeakPolarHBondContact O-CG1 3.29Å; S330-I334 PolarHBondContact O-N 3.19Å; K331-I334 PolarHBondContact O-N 3.31Å; I334-L336 VanDerWaalsContact C-N 3.34Å; I334-L336 PolarHBondContact O-N 3.09Å; I334-E337 PolarHBondContact O-N 3.18Å; I334-T338 WeakPolarHBondContact O-CB 3.42Å; I334-T338 PolarHBondContact O-N 3.01Å; I334-T338 PolarHBondContact O-OG1 2.95Å
335	E	98.4	Very high	95.7	Very high	92 Å²	92	40.2 Å²	40.2	43%	0.43	21%	0.207	S	C	.	.	H	α-helix	trans	-60.5	-43	174.7	-77.3	170.5	-175.3	0	0	111.6	K331 E332 I333 T338 Q339	K331-E335 WeakPolarHBondContact CE-OE1 3.42Å; K331-E335 WeakPolarHBondContact CG-OE1 3.4Å; K331-E335 WeakPolarHBondContact O-CB 3.5Å; K331-E335 VanDerWaalsContact O-CG 3.29Å; K331-E335 WeakPolarHBondContact O-CG 3.2Å; K331-E335 PolarHBondContact O-N 3.15Å; E332-E335 PolarHBondContact O-N 3.43Å; I333-E335 VanDerWaalsContact C-N 3.33Å; I333-E335 PolarHBondContact O-N 3.31Å; E335-T338 PolarHBondContact O-N 2.94Å; E335-Q339 WeakPolarHBondContact O-CG 3.49Å; E335-Q339 PolarHBondContact O-N 3.44Å
336	L	98.6	Very high	95.6	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-65.4	-46.4	174.5	177.3	59.8	0	0	0	111.9	F264 E332 I333 I334 T338 Q339 L340 I408 T412 V416 L417 Y420	F264-L336 HydrophobicContact CE1-CD2 4.26Å; E332-L336 PolarHBondContact O-N 3.41Å; I333-L336 PolarHBondContact O-N 2.97Å; I334-L336 VanDerWaalsContact C-N 3.34Å; I334-L336 PolarHBondContact O-N 3.09Å; L336-T338 PolarHBondContact O-N 3.36Å; L336-Q339 WeakPolarHBondContact O-CB 3.4Å; L336-Q339 PolarHBondContact O-N 3.24Å; L336-Q339 VanDerWaalsContact O-N 3.12Å; L336-L340 WeakPolarHBondContact O-CG 3.45Å; L336-L340 PolarHBondContact O-N 3.06Å; L336-I408 HydrophobicContact CD1-CG2 3.41Å; L336-I408 VanDerWaalsContact CD1-CG2 3.41Å; L336-T412 HydrophobicContact CD1-CG2 4.46Å; L336-V416 HydrophobicContact CB-CG1 4.25Å; L336-V416 HydrophobicContact CD2-CG1 4.1Å; L336-L417 HydrophobicContact CD2-CD2 4.3Å; L336-Y420 HydrophobicContact CD2-CD1 3.97Å; L336-Y420 HydrophobicContact CD2-CD2 4.2Å; L336-Y420 HydrophobicContact CD2-CG 3.66Å
337	E	98.6	Very high	94.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-33.3	175.3	-73.4	-171.5	168	0	0	111.7	L288 T289 Y296 Y310 I333 I334 L340 A341 Y420	L288-E337 HydrophobicContact CD2-CB 4.42Å; L288-E337 VanDerWaalsContact CD2-O 3.23Å; L288-E337 WeakPolarHBondContact CD2-O 3.47Å; T289-E337 WeakPolarHBondContact CB-OE1 3.36Å; T289-E337 PolarHBondContact OG1-OE1 2.92Å; Y296-E337 HydrophobicContact CD1-CB 4.31Å; Y296-E337 HydrophobicContact CE1-CB 3.61Å; Y296-E337 WeakPolarHBondContact CE1-OE2 3.48Å; Y296-E337 PolarHBondContact OH-OE2 3.26Å; Y310-E337 VanDerWaalsContact CE1-OE2 3.22Å; Y310-E337 WeakPolarHBondContact CE1-OE2 2.96Å; Y310-E337 VanDerWaalsContact CZ-OE2 3.32Å; Y310-E337 VanDerWaalsContact OH-CD 3.23Å; Y310-E337 PolarHBondContact OH-OE1 2.72Å; Y310-E337 VanDerWaalsContact OH-OE1 3.09Å; Y310-E337 PolarHBondContact OH-OE2 3.17Å; I333-E337 PolarHBondContact O-N 2.98Å; I334-E337 PolarHBondContact O-N 3.18Å; E337-L340 PolarHBondContact O-N 2.86Å; E337-A341 VanDerWaalsContact O-CB 3.32Å; E337-A341 WeakPolarHBondContact O-CB 3.42Å; E337-A341 PolarHBondContact O-N 3.02Å; E337-Y420 HydrophobicContact CG-CD2 4.08Å; E337-Y420 HydrophobicContact CG-CE2 3.76Å
338	T	98.4	Very high	93.2	Very high	43 Å²	43	37.3 Å²	37.3	26%	0.264	18%	0.182	S	C	.	.	H	α-helix	trans	-68	-38.1	174.7	-55.6	0	0	0	0	111.4	L297 I334 E335 L336 A341 N342	L297-T338 HydrophobicContact CD2-CG2 3.99Å; I334-T338 WeakPolarHBondContact O-CB 3.42Å; I334-T338 PolarHBondContact O-N 3.01Å; I334-T338 PolarHBondContact O-OG1 2.95Å; E335-T338 PolarHBondContact O-N 2.94Å; L336-T338 PolarHBondContact O-N 3.36Å; T338-A341 PolarHBondContact O-N 3.21Å; T338-N342 PolarHBondContact O-N 3.2Å
339	Q	98.3	Very high	92	Very high	95 Å²	95	36.1 Å²	36.1	44%	0.444	18%	0.179	S	C	.	.	H	α-helix	trans	-63.3	-41.9	171.9	-69.1	175.4	29	0	0	111.7	E335 L336 N342 I343 I408	E335-Q339 WeakPolarHBondContact O-CG 3.49Å; E335-Q339 PolarHBondContact O-N 3.44Å; L336-Q339 WeakPolarHBondContact O-CB 3.4Å; L336-Q339 PolarHBondContact O-N 3.24Å; L336-Q339 VanDerWaalsContact O-N 3.12Å; Q339-N342 PolarHBondContact O-N 3.5Å; Q339-I343 PolarHBondContact O-N 3.21Å; Q339-I408 HydrophobicContact CB-CD1 4.15Å
340	L	98.3	Very high	90.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-46.9	173.6	-65	175.2	0	0	0	110.7	F264 L288 L336 E337 N342 I343 T344 V405 I408 Y420	F264-L340 HydrophobicContact CD1-CD1 4.19Å; F264-L340 HydrophobicContact CD1-CD2 4.22Å; L288-L340 HydrophobicContact CD2-CB 3.85Å; L336-L340 WeakPolarHBondContact O-CG 3.45Å; L336-L340 PolarHBondContact O-N 3.06Å; E337-L340 PolarHBondContact O-N 2.86Å; L340-N342 PolarHBondContact O-N 3.44Å; L340-I343 HydrophobicContact CD2-CD1 4.42Å; L340-I343 WeakPolarHBondContact O-CG1 3.26Å; L340-I343 PolarHBondContact O-N 3.3Å; L340-T344 PolarHBondContact O-N 3.21Å; L340-T344 PolarHBondContact O-OG1 2.99Å; L340-V405 HydrophobicContact CD2-CG2 4.01Å; L340-I408 HydrophobicContact CD2-CD1 4.06Å; L340-Y420 HydrophobicContact CD1-CE2 4.23Å
341	A	97.3	Very high	88.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-35	179.2	0	0	0	0	0	111.9	L288 R293 Y296 L297 E337 T338 I343	L288-A341 HydrophobicContact CD1-CB 3.98Å; L288-A341 HydrophobicContact CD2-CB 3.88Å; R293-A341 HydrophobicContact CB-CB 3.93Å; R293-A341 WeakPolarHBondContact CB-O 3.33Å; R293-A341 PolarHBondContact NE-O 3.27Å; R293-A341 PolarHBondContact NH2-O 2.87Å; Y296-A341 HydrophobicContact CD2-CB 3.94Å; Y296-A341 HydrophobicContact CG-CB 3.97Å; L297-A341 HydrophobicContact CG-CB 4.49Å; E337-A341 VanDerWaalsContact O-CB 3.32Å; E337-A341 WeakPolarHBondContact O-CB 3.42Å; E337-A341 PolarHBondContact O-N 3.02Å; T338-A341 PolarHBondContact O-N 3.21Å; A341-I343 VanDerWaalsContact C-N 3.29Å; A341-I343 PolarHBondContact O-N 3.01Å
342	N	96.6	Very high	88	Confident	102 Å²	102	44 Å²	44	55%	0.545	22%	0.218	S	C	.	.	H	α-helix	trans	-65	-32.7	177.3	-168.5	48	0	0	0	113.2	R293 T338 Q339 L340	R293-N342 PolarHBondContact NH2-O 3.35Å; R293-N342 VanDerWaalsContact NH2-O 3.11Å; T338-N342 PolarHBondContact O-N 3.2Å; Q339-N342 PolarHBondContact O-N 3.5Å; L340-N342 PolarHBondContact O-N 3.44Å
343	I	96	Very high	87	Confident	24 Å²	24	45.2 Å²	45.2	12%	0.123	22%	0.223	C	C	.	.	H	α-helix	trans	-95.8	-20	-178	64.3	160.2	0	0	0	113.5	Q339 L340 A341 V345 Y401 K404 V405 I408	Q339-I343 PolarHBondContact O-N 3.21Å; L340-I343 HydrophobicContact CD2-CD1 4.42Å; L340-I343 WeakPolarHBondContact O-CG1 3.26Å; L340-I343 PolarHBondContact O-N 3.3Å; A341-I343 VanDerWaalsContact C-N 3.29Å; A341-I343 PolarHBondContact O-N 3.01Å; I343-V345 PolarHBondContact O-N 3.29Å; I343-Y401 HydrophobicContact CB-CD2 4.34Å; I343-Y401 HydrophobicContact CD1-CD2 3.72Å; I343-Y401 HydrophobicContact CD1-CE2 3.66Å; I343-Y401 HydrophobicContact CD1-CG 4.46Å; I343-Y401 HydrophobicContact CG1-CD2 3.72Å; I343-Y401 HydrophobicContact CG1-CE2 3.62Å; I343-K404 HydrophobicContact CB-CB 4.29Å; I343-K404 HydrophobicContact CB-CD 3.91Å; I343-K404 HydrophobicContact CD1-CB 3.67Å; I343-K404 HydrophobicContact CG2-CB 4.11Å; I343-K404 HydrophobicContact CG2-CD 3.71Å; I343-K404 HydrophobicContact CG2-CG 4.47Å; I343-V405 HydrophobicContact CD1-CG2 3.72Å; I343-I408 HydrophobicContact CD1-CD1 3.63Å; I343-I408 HydrophobicContact CG1-CD1 4.25Å
344	T	95.1	Very high	86.2	Confident	13 Å²	13	48 Å²	48	8%	0.08	24%	0.238	C	C	.	.	S	Bend	trans	-61	127.4	174.2	-63.3	0	0	0	0	110.1	L288 R293 L340 Y401	L288-T344 HydrophobicContact CD1-CG2 4.41Å; R293-T344 WeakPolarHBondContact CD-O 3.4Å; R293-T344 PolarHBondContact NH1-O 3.29Å; L340-T344 PolarHBondContact O-N 3.21Å; L340-T344 PolarHBondContact O-OG1 2.99Å; T344-Y401 WeakPolarHBondContact OG1-CE2 3.25Å
345	V	91.1	Very high	85.6	Confident	32 Å²	32	47.6 Å²	47.6	19%	0.194	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-82.2	128.2	173.6	-179.8	0	0	0	0	108.1	Q285 I343 D349 Q351 R352	Q285-V345 PolarHBondContact NE2-O 2.66Å; I343-V345 PolarHBondContact O-N 3.29Å; V345-D349 HydrophobicContact CG1-CB 3.76Å; V345-Q351 HydrophobicContact CG1-CB 4.09Å; V345-R352 HydrophobicContact CB-CG 4.19Å; V345-R352 HydrophobicContact CG1-CG 3.79Å; V345-R352 VanDerWaalsContact O-CD 3.24Å; V345-R352 WeakPolarHBondContact O-CD 3.38Å
346	S	83.3	Confident	85	Confident	5 Å²	5	46.1 Å²	46.1	4%	0.035	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-70.9	155.8	-177.9	-172.7	0	0	0	0	111.2	E292 Y348 D349	E292-S346 WeakPolarHBondContact OE1-CB 2.84Å; E292-S346 PolarHBondContact OE1-OG 3.04Å; S346-Y348 VanDerWaalsContact CB-CD2 3.48Å; S346-Y348 PolarHBondContact O-N 3.19Å; S346-Y348 WeakPolarHBondContact OG-CD2 3.48Å; S346-Y348 WeakPolarHBondContact OG-CE2 3.46Å; S346-Y348 PolarHBondContact OG-N 3.12Å; S346-D349 PolarHBondContact N-OD2 3.34Å; S346-D349 PolarHBondContact O-N 2.05Å; S346-D349 VanDerWaalsContact O-N 3.13Å
347	E	70.8	Confident	84.5	Confident	91 Å²	91	50 Å²	50	43%	0.425	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.9	167	-62.7	-154.7	158.5	0	0	112.5	D349 K756	E347-D349 VanDerWaalsContact C-N 3.29Å; E347-K756 IonicContact OE1-NZ 2.64Å; E347-K756 WeakPolarHBondContact OE2-CE 3.49Å; E347-K756 IonicContact OE2-NZ 3.27Å; E347-K756 PolarHBondContact OE2-NZ 3.17Å
348	Y	66.1	Low	84	Confident	45 Å²	45	51 Å²	51	18%	0.176	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-28.5	171.6	-49	-68.4	0	0	0	113.5	E292 S346 L688 L753	E292-Y348 HydrophobicContact CG-CE2 3.96Å; S346-Y348 VanDerWaalsContact CB-CD2 3.48Å; S346-Y348 PolarHBondContact O-N 3.19Å; S346-Y348 WeakPolarHBondContact OG-CD2 3.48Å; S346-Y348 WeakPolarHBondContact OG-CE2 3.46Å; S346-Y348 PolarHBondContact OG-N 3.12Å; Y348-L688 HydrophobicContact CD1-CB 4.38Å; Y348-L688 HydrophobicContact CD1-CD1 4.26Å; Y348-L688 HydrophobicContact CD1-CD2 3.91Å; Y348-L688 HydrophobicContact CD1-CG 4.42Å; Y348-L688 HydrophobicContact CE1-CD2 3.77Å; Y348-L753 WeakPolarHBondContact CE1-O 3.27Å; Y348-L753 WeakPolarHBondContact OH-CA 3.41Å; Y348-L753 WeakPolarHBondContact OH-CB 3.32Å; Y348-L753 VanDerWaalsContact OH-CD2 3.28Å; Y348-L753 WeakPolarHBondContact OH-CD2 3.25Å; Y348-L753 PolarHBondContact OH-O 3.28Å
349	D	66.8	Low	83.8	Confident	69 Å²	69	49.6 Å²	49.6	37%	0.369	26%	0.255	S	S	.	.	S	Bend	trans	-76.5	132.8	-172.8	-64.6	-41.5	0	0	0	109	V345 S346 E347 Q351 R352	V345-D349 HydrophobicContact CG1-CB 3.76Å; S346-D349 PolarHBondContact N-OD2 3.34Å; S346-D349 PolarHBondContact O-N 2.05Å; S346-D349 VanDerWaalsContact O-N 3.13Å; E347-D349 VanDerWaalsContact C-N 3.29Å; D349-Q351 PolarHBondContact O-N 3.24Å; D349-R352 PolarHBondContact O-N 3.2Å
350	D	60.2	Low	83.7	Confident	94 Å²	94	48.1 Å²	48.1	50%	0.503	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-52.1	-23.7	-179.6	-75.7	-30.1	0	0	0	112.6	R352 K353 R687	D350-R352 PolarHBondContact O-N 3.17Å; D350-K353 PolarHBondContact O-N 3.43Å; D350-R687 IonicContact OD1-NH1 3.25Å; D350-R687 IonicContact OD2-NH1 3.37Å
351	Q	62	Low	83.6	Confident	136 Å²	136	52.3 Å²	52.3	64%	0.636	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-60.2	-24.5	178.3	-63.5	-176.9	3.7	0	0	114.2	V345 D349	V345-Q351 HydrophobicContact CG1-CB 4.09Å; D349-Q351 PolarHBondContact O-N 3.24Å
352	R	78.9	Confident	83.6	Confident	43 Å²	43	53.4 Å²	53.4	16%	0.162	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-98	6.4	-178.4	-70.4	-166.4	67.3	85.7	3.8	115.3	D284 V345 D349 D350 M358	D284-R352 VanDerWaalsContact CG-NH2 3.32Å; D284-R352 IonicContact OD1-CZ 3.72Å; D284-R352 IonicContact OD1-NH1 3.7Å; D284-R352 PolarHBondContact OD1-NH1 3.39Å; D284-R352 IonicContact OD1-NH2 3.16Å; D284-R352 PolarHBondContact OD1-NH2 2.97Å; D284-R352 VanDerWaalsContact OD1-NH2 3.12Å; D284-R352 IonicContact OD2-CZ 2.58Å; D284-R352 IonicContact OD2-NH2 2.91Å; D284-R352 PolarHBondContact OD2-NH2 2.96Å; V345-R352 HydrophobicContact CB-CG 4.19Å; V345-R352 HydrophobicContact CG1-CG 3.79Å; V345-R352 VanDerWaalsContact O-CD 3.24Å; V345-R352 WeakPolarHBondContact O-CD 3.38Å; D349-R352 PolarHBondContact O-N 3.2Å; D350-R352 PolarHBondContact O-N 3.17Å; R352-M358 WeakPolarHBondContact CA-SD 3.42Å; R352-M358 HydrophobicContact CB-SD 4.17Å; R352-M358 HydrophobicContact CG-SD 4.44Å; R352-M358 VanDerWaalsContact O-SD 3.33Å
353	K	75.1	Confident	83.6	Confident	44 Å²	44	49.9 Å²	49.9	19%	0.191	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-29.1	-179.2	-67.1	-172.9	161.6	-142.5	0	114.3	D350 I355 D640 Q644 R687	D350-K353 PolarHBondContact O-N 3.43Å; K353-I355 PolarHBondContact O-N 3.47Å; K353-D640 IonicContact NZ-OD2 3.44Å; K353-D640 PolarHBondContact NZ-OD2 3.05Å; K353-Q644 PolarHBondContact O-NE2 2.83Å; K353-R687 PolarHBondContact NZ-O 3.15Å
354	D	82.7	Confident	83.7	Confident	59 Å²	59	49 Å²	49	32%	0.316	25%	0.249	S	C	.	.			trans	-84.6	90.9	172.3	-172.9	-16.5	0	0	0	109.7	S356 T357 M358	D354-S356 PolarHBondContact O-N 2.81Å; D354-S356 WeakPolarHBondContact OD1-CA 3.14Å; D354-S356 VanDerWaalsContact OD1-CB 3.31Å; D354-S356 WeakPolarHBondContact OD1-CB 3.43Å; D354-S356 PolarHBondContact OD1-N 3.28Å; D354-S356 PolarHBondContact OD1-OG 2.81Å; D354-T357 HydrophobicContact CB-CG2 4.1Å; D354-T357 VanDerWaalsContact CG-CG2 3.45Å; D354-T357 PolarHBondContact O-N 3.2Å; D354-T357 VanDerWaalsContact O-N 3.1Å; D354-T357 PolarHBondContact O-OG1 2.73Å; D354-T357 PolarHBondContact OD1-N 3.37Å; D354-T357 WeakPolarHBondContact OD2-CG2 3.47Å; D354-M358 PolarHBondContact O-N 3.31Å
355	I	84.6	Confident	83.8	Confident	9 Å²	9	52.6 Å²	52.6	5%	0.046	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-32.5	-179.3	-43.4	168.8	0	0	0	110.4	K353 T357 M358 Y359 W641 Y645 L651	K353-I355 PolarHBondContact O-N 3.47Å; I355-T357 VanDerWaalsContact C-N 3.26Å; I355-T357 PolarHBondContact O-N 2.92Å; I355-M358 PolarHBondContact O-N 2.94Å; I355-Y359 VanDerWaalsContact O-CB 3.28Å; I355-Y359 WeakPolarHBondContact O-CB 3.14Å; I355-Y359 PolarHBondContact O-N 3.09Å; I355-W641 HydrophobicContact CD1-CG 4.35Å; I355-Y645 HydrophobicContact CD1-CD2 4.4Å; I355-Y645 HydrophobicContact CD1-CE2 3.27Å; I355-Y645 WeakPolarHBondContact CD1-OH 3.44Å; I355-L651 HydrophobicContact CB-CD1 4.15Å; I355-L651 HydrophobicContact CB-CD2 4.09Å; I355-L651 HydrophobicContact CD1-CD1 4.29Å; I355-L651 HydrophobicContact CG2-CD2 3.85Å
356	S	86.4	Confident	84.2	Confident	62 Å²	62	55.2 Å²	55.2	43%	0.434	27%	0.271	S	S	.	.	H	α-helix	trans	-64.9	-33.6	-178.4	81.8	0	0	0	0	112.2	D354	D354-S356 PolarHBondContact O-N 2.81Å; D354-S356 WeakPolarHBondContact OD1-CA 3.14Å; D354-S356 VanDerWaalsContact OD1-CB 3.31Å; D354-S356 WeakPolarHBondContact OD1-CB 3.43Å; D354-S356 PolarHBondContact OD1-N 3.28Å; D354-S356 PolarHBondContact OD1-OG 2.81Å
357	T	87.1	Confident	84.9	Confident	84 Å²	84	55 Å²	55	52%	0.515	27%	0.27	S	S	.	.	H	α-helix	trans	-77.9	-34.5	175	65.4	0	0	0	0	112.8	D354 I355	D354-T357 HydrophobicContact CB-CG2 4.1Å; D354-T357 VanDerWaalsContact CG-CG2 3.45Å; D354-T357 PolarHBondContact O-N 3.2Å; D354-T357 VanDerWaalsContact O-N 3.1Å; D354-T357 PolarHBondContact O-OG1 2.73Å; D354-T357 PolarHBondContact OD1-N 3.37Å; D354-T357 WeakPolarHBondContact OD2-CG2 3.47Å; I355-T357 VanDerWaalsContact C-N 3.26Å; I355-T357 PolarHBondContact O-N 2.92Å
358	M	89.4	Confident	86.2	Confident	20 Å²	20	53.4 Å²	53.4	10%	0.099	26%	0.262	C	S	.	.	H	α-helix	trans	-73	-32.6	176.4	-67.1	168.5	51.6	0	0	112.6	R352 D354 I355 N360 V396 L397	R352-M358 WeakPolarHBondContact CA-SD 3.42Å; R352-M358 HydrophobicContact CB-SD 4.17Å; R352-M358 HydrophobicContact CG-SD 4.44Å; R352-M358 VanDerWaalsContact O-SD 3.33Å; D354-M358 PolarHBondContact O-N 3.31Å; I355-M358 PolarHBondContact O-N 2.94Å; M358-N360 PolarHBondContact O-N 2.84Å; M358-N360 PolarHBondContact O-ND2 3.28Å; M358-V396 VanDerWaalsContact O-O 3.13Å; M358-L397 HydrophobicContact CB-CD2 4.36Å; M358-L397 HydrophobicContact CE-CB 4.06Å; M358-L397 HydrophobicContact CE-CD1 4Å; M358-L397 WeakPolarHBondContact O-CA 3.03Å
359	Y	93.8	Very high	87.7	Confident	14 Å²	14	60.2 Å²	60.2	6%	0.055	29%	0.288	C	S	.	.			trans	-67.6	100.8	-175.6	-175.1	-80.7	0	0	0	111.1	D272 D273 K274 I355 R361 V395	D272-Y359 WeakPolarHBondContact OD1-CE2 3.45Å; D272-Y359 PolarHBondContact OD1-OH 3.35Å; D273-Y359 HydrophobicContact CB-CD2 3.95Å; D273-Y359 HydrophobicContact CB-CE2 4.01Å; K274-Y359 HydrophobicContact CB-CE1 4.37Å; K274-Y359 HydrophobicContact CB-CE2 4.44Å; K274-Y359 HydrophobicContact CD-CD1 3.76Å; K274-Y359 HydrophobicContact CD-CE1 3.48Å; K274-Y359 VanDerWaalsContact CD-CE1 3.48Å; K274-Y359 HydrophobicContact CD-CG 4.49Å; K274-Y359 VanDerWaalsContact CE-CD1 3.4Å; K274-Y359 HydrophobicContact CG-CD1 4.14Å; K274-Y359 HydrophobicContact CG-CD2 4.45Å; K274-Y359 HydrophobicContact CG-CE1 3.81Å; K274-Y359 HydrophobicContact CG-CE2 4.11Å; K274-Y359 HydrophobicContact CG-CG 4.46Å; I355-Y359 VanDerWaalsContact O-CB 3.28Å; I355-Y359 WeakPolarHBondContact O-CB 3.14Å; I355-Y359 PolarHBondContact O-N 3.09Å; Y359-R361 HydrophobicContact CE1-CB 3.87Å; Y359-V395 HydrophobicContact CD2-CG1 3.85Å; Y359-V395 HydrophobicContact CE2-CG1 3.86Å; Y359-V395 HydrophobicContact CE2-CG2 3.85Å; Y359-V395 HydrophobicContact CG-CG1 4.49Å
360	N	95.4	Very high	89.1	Confident	65 Å²	65	59.1 Å²	59.1	35%	0.348	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	109.9	173.8	-62.8	-86.7	0	0	0	109.9	M358 V396	M358-N360 PolarHBondContact O-N 2.84Å; M358-N360 PolarHBondContact O-ND2 3.28Å; N360-V396 VanDerWaalsContact CB-O 3.27Å; N360-V396 WeakPolarHBondContact CB-O 3.28Å; N360-V396 PolarHBondContact N-O 3.19Å; N360-V396 VanDerWaalsContact N-O 3.12Å; N360-V396 PolarHBondContact O-N 2.85Å
361	R	96.3	Very high	90.8	Very high	88 Å²	88	54.7 Å²	54.7	33%	0.332	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	116.5	173.6	-168.4	173.9	-169.4	-141.7	-7.1	109.5	R278 Y359 E393 I394	R278-R361 VanDerWaalsContact NH1-NH2 3.17Å; Y359-R361 HydrophobicContact CE1-CB 3.87Å; R361-E393 HydrophobicContact CG-CB 4.26Å; R361-E393 IonicContact CZ-OE1 3.73Å; R361-E393 IonicContact CZ-OE2 2.73Å; R361-E393 IonicContact NE-OE1 3.71Å; R361-E393 PolarHBondContact NE-OE1 3.18Å; R361-E393 IonicContact NE-OE2 3.72Å; R361-E393 IonicContact NH1-OE1 3.39Å; R361-E393 PolarHBondContact NH1-OE1 2.94Å; R361-E393 IonicContact NH1-OE2 3.48Å; R361-E393 PolarHBondContact NH1-OE2 2.94Å; R361-E393 VanDerWaalsContact NH1-OE2 3.16Å; R361-E393 IonicContact NH2-OE1 2.83Å; R361-E393 IonicContact NH2-OE2 3.42Å; R361-E393 PolarHBondContact NH2-OE2 3.18Å; R361-I394 WeakPolarHBondContact CA-O 2.95Å
362	I	97.3	Very high	92.5	Very high	22 Å²	22	52 Å²	52	11%	0.113	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	161.4	-175.7	64.2	171.3	0	0	0	110.6	Q366 L367 I370 E393 I394 V396	I362-Q366 VanDerWaalsContact CA-OE1 3.29Å; I362-Q366 HydrophobicContact CB-CB 4.11Å; I362-L367 HydrophobicContact CD1-CB 3.89Å; I362-L367 HydrophobicContact CD1-CD1 4.32Å; I362-I370 HydrophobicContact CD1-CD1 3.79Å; I362-E393 WeakPolarHBondContact O-CA 3.04Å; I362-I394 HydrophobicContact CG1-CG1 4.18Å; I362-I394 PolarHBondContact N-O 3.48Å; I362-I394 WeakPolarHBondContact O-CG1 3.44Å; I362-I394 PolarHBondContact O-N 2.87Å; I362-V396 HydrophobicContact CD1-CB 4.41Å; I362-V396 HydrophobicContact CD1-CG2 3.71Å; I362-V396 HydrophobicContact CG1-CG2 3.9Å
363	T	98.1	Very high	93.3	Very high	29 Å²	29	51.8 Å²	51.8	18%	0.178	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	159.1	174.2	66	0	0	0	0	112.1	R365 Q366 L367 E392 E393	T363-R365 PolarHBondContact O-N 2.91Å; T363-Q366 WeakPolarHBondContact O-CB 3.5Å; T363-Q366 PolarHBondContact O-N 3.12Å; T363-Q366 WeakPolarHBondContact OG1-CG 3.29Å; T363-Q366 PolarHBondContact OG1-N 2.95Å; T363-L367 PolarHBondContact O-N 3Å; T363-E392 CarbonylContact C-O 3.6Å; T363-E392 VanDerWaalsContact CA-O 3.24Å; T363-E392 WeakPolarHBondContact CA-O 3.31Å; T363-E393 HydrophobicContact CG2-CG 4.46Å
364	L	97.5	Very high	94.1	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-55.7	-36.3	172	-66	-173.3	0	0	0	112.7	Q366 L367 Q368 L380 F388 E390 E392 I394	L364-Q366 VanDerWaalsContact C-N 3.33Å; L364-Q366 PolarHBondContact O-N 3.01Å; L364-L367 PolarHBondContact O-N 3.17Å; L364-Q368 WeakPolarHBondContact O-CB 3.38Å; L364-Q368 PolarHBondContact O-N 2.8Å; L364-L380 HydrophobicContact CD1-CD1 3.84Å; L364-L380 HydrophobicContact CD2-CD1 3.25Å; L364-L380 HydrophobicContact CG-CD1 4.2Å; L364-F388 HydrophobicContact CD1-CB 3.82Å; L364-E390 PolarHBondContact N-O 3.45Å; L364-E392 HydrophobicContact CD1-CB 3.95Å; L364-E392 HydrophobicContact CG-CB 4.03Å; L364-E392 PolarHBondContact N-O 3.41Å; L364-I394 HydrophobicContact CD2-CD1 3.72Å; L364-I394 HydrophobicContact CD2-CG1 4.14Å; L364-I394 HydrophobicContact CD2-CG2 3.75Å
365	R	98.1	Very high	94.8	Very high	89 Å²	89	52.7 Å²	52.7	34%	0.336	26%	0.26	S	S	.	.	H	α-helix	trans	-59.7	-42.4	173.2	-170.4	-170.6	-55.2	-82.4	2.2	112.3	T363 R369 E390 D391	T363-R365 PolarHBondContact O-N 2.91Å; R365-R369 WeakPolarHBondContact O-CG 3.3Å; R365-R369 PolarHBondContact O-N 2.69Å; R365-E390 HydrophobicContact CB-CB 4.3Å; R365-E390 WeakPolarHBondContact CB-O 3.48Å; R365-E390 IonicContact CZ-OE2 3.11Å; R365-E390 PolarHBondContact N-O 3.33Å; R365-E390 IonicContact NE-OE2 3.99Å; R365-E390 IonicContact NH1-OE2 2.63Å; R365-E390 PolarHBondContact NH1-OE2 2.97Å; R365-E390 IonicContact NH2-OE2 3.35Å; R365-E390 PolarHBondContact NH2-OE2 3.12Å; R365-D391 IonicContact CZ-OD1 3.52Å; R365-D391 IonicContact NE-OD1 3.12Å; R365-D391 PolarHBondContact NE-OD1 3.41Å; R365-D391 VanDerWaalsContact NE-OD1 3.12Å; R365-D391 IonicContact NH2-OD1 3.01Å; R365-D391 PolarHBondContact NH2-OD1 3.29Å; R365-D391 IonicContact NH2-OD2 3.59Å
366	Q	98.1	Very high	95.4	Very high	88 Å²	88	52.3 Å²	52.3	41%	0.411	26%	0.258	S	S	.	.	H	α-helix	trans	-69.2	-44.4	177	-72.8	169.7	-32.6	0	0	111	I362 T363 L364 Q368 R369 I370	I362-Q366 VanDerWaalsContact CA-OE1 3.29Å; I362-Q366 HydrophobicContact CB-CB 4.11Å; T363-Q366 WeakPolarHBondContact O-CB 3.5Å; T363-Q366 PolarHBondContact O-N 3.12Å; T363-Q366 WeakPolarHBondContact OG1-CG 3.29Å; T363-Q366 PolarHBondContact OG1-N 2.95Å; L364-Q366 VanDerWaalsContact C-N 3.33Å; L364-Q366 PolarHBondContact O-N 3.01Å; Q366-Q368 VanDerWaalsContact C-N 3.28Å; Q366-Q368 PolarHBondContact O-N 3.36Å; Q366-R369 WeakPolarHBondContact O-CB 3.34Å; Q366-R369 PolarHBondContact O-N 2.73Å; Q366-I370 WeakPolarHBondContact O-CG1 3.39Å; Q366-I370 PolarHBondContact O-N 2.95Å
367	L	97.8	Very high	95.9	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-42.2	175.8	179.3	58.4	0	0	0	111.7	I283 I362 T363 L364 R369 I370 A371 W376 I394 V396 I402	I283-L367 HydrophobicContact CD1-CD2 3.57Å; I362-L367 HydrophobicContact CD1-CB 3.89Å; I362-L367 HydrophobicContact CD1-CD1 4.32Å; T363-L367 PolarHBondContact O-N 3Å; L364-L367 PolarHBondContact O-N 3.17Å; L367-R369 PolarHBondContact O-N 3.3Å; L367-I370 PolarHBondContact O-N 3.46Å; L367-I370 VanDerWaalsContact O-N 3.12Å; L367-A371 PolarHBondContact O-N 2.92Å; L367-W376 HydrophobicContact CD1-CZ2 3.99Å; L367-W376 HydrophobicContact CD2-CB 4.37Å; L367-W376 HydrophobicContact CD2-CD2 3.42Å; L367-W376 VanDerWaalsContact CD2-CD2 3.42Å; L367-W376 HydrophobicContact CD2-CE3 3.58Å; L367-W376 HydrophobicContact CD2-CG 3.81Å; L367-W376 HydrophobicContact CD2-CH2 4.25Å; L367-W376 HydrophobicContact CD2-CZ2 4.13Å; L367-W376 HydrophobicContact CD2-CZ3 4Å; L367-W376 HydrophobicContact CG-CD2 3.77Å; L367-W376 HydrophobicContact CG-CE3 4.4Å; L367-W376 HydrophobicContact CG-CG 3.9Å; L367-W376 HydrophobicContact CG-CZ2 4.15Å; L367-I394 HydrophobicContact CB-CD1 4.09Å; L367-I394 HydrophobicContact CD2-CD1 3.28Å; L367-I394 HydrophobicContact CG-CD1 4.25Å; L367-V396 HydrophobicContact CD1-CG2 4.46Å; L367-I402 HydrophobicContact CD1-CG2 3.92Å
368	Q	98.1	Very high	96.4	Very high	56 Å²	56	53.3 Å²	53.3	26%	0.262	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-28.9	176.6	-172.2	60.6	71.5	0	0	113.2	L364 Q366 P372 L374	L364-Q368 WeakPolarHBondContact O-CB 3.38Å; L364-Q368 PolarHBondContact O-N 2.8Å; Q366-Q368 VanDerWaalsContact C-N 3.28Å; Q366-Q368 PolarHBondContact O-N 3.36Å; Q368-P372 VanDerWaalsContact O-CA 3.32Å; Q368-P372 WeakPolarHBondContact O-CA 3.23Å; Q368-L374 PolarHBondContact NE2-O 3.04Å; Q368-L374 PolarHBondContact OE1-O 2.9Å; Q368-L374 VanDerWaalsContact OE1-O 3.11Å
369	R	97.4	Very high	96.7	Very high	189 Å²	189	52.4 Å²	52.4	71%	0.713	24%	0.24	S	C	*	.	H	α-helix	trans	-78.6	-36.8	174.1	-68.2	173.6	-177.5	176.5	1.1	112.4	R365 Q366 L367	R365-R369 WeakPolarHBondContact O-CG 3.3Å; R365-R369 PolarHBondContact O-N 2.69Å; Q366-R369 WeakPolarHBondContact O-CB 3.34Å; Q366-R369 PolarHBondContact O-N 2.73Å; L367-R369 PolarHBondContact O-N 3.3Å
370	I	96.3	Very high	96.9	Very high	45 Å²	45	51.8 Å²	51.8	23%	0.231	24%	0.237	C	C	.	.	H	α-helix	trans	-70.8	-43.4	-179.9	-66.4	163.2	0	0	0	110.7	I362 Q366 L367 T399 Q403	I362-I370 HydrophobicContact CD1-CD1 3.79Å; Q366-I370 WeakPolarHBondContact O-CG1 3.39Å; Q366-I370 PolarHBondContact O-N 2.95Å; L367-I370 PolarHBondContact O-N 3.46Å; L367-I370 VanDerWaalsContact O-N 3.12Å; I370-T399 HydrophobicContact CD1-CG2 3.97Å; I370-T399 HydrophobicContact CG2-CG2 4.06Å; I370-Q403 HydrophobicContact CG2-CB 3.95Å
371	A	97.3	Very high	96.9	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.008	23%	0.23	C	C	.	.			trans	-127.6	77.2	-178.4	0	0	0	0	0	111.3	L367 S373 W376 I402 S406	L367-A371 PolarHBondContact O-N 2.92Å; A371-S373 VanDerWaalsContact C-N 3.29Å; A371-S373 PolarHBondContact O-N 3.29Å; A371-W376 HydrophobicContact CB-CZ2 3.83Å; A371-W376 PolarHBondContact O-NE1 3.3Å; A371-I402 HydrophobicContact CB-CG2 3.73Å; A371-S406 VanDerWaalsContact C-OG 3.28Å; A371-S406 WeakPolarHBondContact CA-OG 3.06Å
372	P	97	Very high	96.9	Very high	81 Å²	81	52 Å²	52	53%	0.526	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.4	-172.4	30.3	-37.4	0	0	0	115.2	Q368 L374 S406	Q368-P372 VanDerWaalsContact O-CA 3.32Å; Q368-P372 WeakPolarHBondContact O-CA 3.23Å; P372-L374 PolarHBondContact O-N 3.37Å; P372-S406 WeakPolarHBondContact CD-OG 3.46Å
373	S	95.1	Very high	96.8	Very high	37 Å²	37	51.5 Å²	51.5	26%	0.259	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-5.5	-177.3	-58.4	0	0	0	0	113.9	A371 S406	A371-S373 VanDerWaalsContact C-N 3.29Å; A371-S373 PolarHBondContact O-N 3.29Å; S373-S406 WeakPolarHBondContact CB-O 3.03Å; S373-S406 VanDerWaalsContact CB-OG 3.25Å; S373-S406 WeakPolarHBondContact CB-OG 3.27Å; S373-S406 PolarHBondContact N-OG 3.04Å; S373-S406 PolarHBondContact OG-O 3.34Å; S373-S406 PolarHBondContact OG-OG 3.42Å
374	L	93.6	Very high	96.7	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	23%	0.227	C	C	.	.	S	Bend	trans	-125	147.3	-178.7	-59	173.6	0	0	0	109.3	F248 L252 F265 Q368 P372 W376 I409	F248-L374 HydrophobicContact CD1-CD2 3.75Å; F248-L374 HydrophobicContact CE1-CD2 3.13Å; F248-L374 HydrophobicContact CZ-CD2 4.03Å; L252-L374 HydrophobicContact CD2-CD2 3.9Å; F265-L374 HydrophobicContact CE1-CD1 3.58Å; F265-L374 HydrophobicContact CZ-CD1 4.15Å; Q368-L374 PolarHBondContact NE2-O 3.04Å; Q368-L374 PolarHBondContact OE1-O 2.9Å; Q368-L374 VanDerWaalsContact OE1-O 3.11Å; P372-L374 PolarHBondContact O-N 3.37Å; L374-W376 HydrophobicContact CB-CD2 4.4Å; L374-W376 HydrophobicContact CD1-CH2 3.78Å; L374-W376 HydrophobicContact CD1-CZ2 3.49Å; L374-W376 VanDerWaalsContact CD1-CZ2 3.49Å; L374-W376 HydrophobicContact CD1-CZ3 4.4Å; L374-W376 PolarHBondContact O-N 2.66Å; L374-I409 HydrophobicContact CD1-CD1 4.32Å; L374-I409 HydrophobicContact CD2-CD1 4.07Å; L374-I409 HydrophobicContact CG-CD1 4.34Å
375	H	96.3	Very high	96.5	Very high	119 Å²	119	57.5 Å²	57.5	55%	0.551	26%	0.259	S	S	*	.			trans	-95.1	90	165.4	-47.6	-87.5	0	0	0	109.7	N249 K377 R378 L379	N249-H375 WeakPolarHBondContact ND2-CB 3.4Å; N249-H375 PolarHBondContact ND2-CD2 3.15Å; N249-H375 VanDerWaalsContact ND2-CD2 3.33Å; N249-H375 PolarHBondContact ND2-N 2.68Å; N249-H375 PolarHBondContact ND2-O 2.84Å; N249-H375 PolarHBondContact OD1-N 2.8Å; H375-K377 PolarHBondContact O-N 3.28Å; H375-R378 HydrophobicContact CB-CB 4.02Å; H375-R378 PolarHBondContact O-N 2.88Å; H375-L379 PolarHBondContact O-N 3.15Å; H375-L379 VanDerWaalsContact O-N 3.09Å
376	W	97.4	Very high	96.3	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-47.4	-171.6	-69.5	97.5	0	0	0	113.2	F265 I283 L367 A371 L374 R378 L379 L380 I402	F265-W376 HydrophobicContact CD1-CH2 4.02Å; F265-W376 HydrophobicContact CD2-CH2 4.31Å; F265-W376 HydrophobicContact CD2-CZ3 4.23Å; F265-W376 AromaticContact CE1-CH2 3.65Å; F265-W376 HydrophobicContact CE1-CH2 3.65Å; F265-W376 AromaticContact CE1-CZ3 3.98Å; F265-W376 HydrophobicContact CE1-CZ3 3.98Å; F265-W376 AromaticContact CE2-CH2 3.96Å; F265-W376 HydrophobicContact CE2-CH2 3.96Å; F265-W376 AromaticContact CE2-CZ3 3.57Å; F265-W376 HydrophobicContact CE2-CZ3 3.57Å; F265-W376 HydrophobicContact CG-CH2 4.34Å; F265-W376 HydrophobicContact CZ-CE3 4.42Å; F265-W376 AromaticContact CZ-CH2 3.6Å; F265-W376 HydrophobicContact CZ-CH2 3.6Å; F265-W376 AromaticContact CZ-CZ3 3.4Å; F265-W376 HydrophobicContact CZ-CZ3 3.4Å; F265-W376 VanDerWaalsContact CZ-CZ3 3.4Å; I283-W376 HydrophobicContact CD1-CE3 4.16Å; I283-W376 HydrophobicContact CD1-CH2 4.32Å; I283-W376 HydrophobicContact CD1-CZ3 3.7Å; L367-W376 HydrophobicContact CD1-CZ2 3.99Å; L367-W376 HydrophobicContact CD2-CB 4.37Å; L367-W376 HydrophobicContact CD2-CD2 3.42Å; L367-W376 VanDerWaalsContact CD2-CD2 3.42Å; L367-W376 HydrophobicContact CD2-CE3 3.58Å; L367-W376 HydrophobicContact CD2-CG 3.81Å; L367-W376 HydrophobicContact CD2-CH2 4.25Å; L367-W376 HydrophobicContact CD2-CZ2 4.13Å; L367-W376 HydrophobicContact CD2-CZ3 4Å; L367-W376 HydrophobicContact CG-CD2 3.77Å; L367-W376 HydrophobicContact CG-CE3 4.4Å; L367-W376 HydrophobicContact CG-CG 3.9Å; L367-W376 HydrophobicContact CG-CZ2 4.15Å; A371-W376 HydrophobicContact CB-CZ2 3.83Å; A371-W376 PolarHBondContact O-NE1 3.3Å; L374-W376 HydrophobicContact CB-CD2 4.4Å; L374-W376 HydrophobicContact CD1-CH2 3.78Å; L374-W376 HydrophobicContact CD1-CZ2 3.49Å; L374-W376 VanDerWaalsContact CD1-CZ2 3.49Å; L374-W376 HydrophobicContact CD1-CZ3 4.4Å; L374-W376 PolarHBondContact O-N 2.66Å; W376-R378 VanDerWaalsContact C-N 3.32Å; W376-R378 PolarHBondContact O-N 2.88Å; W376-L379 WeakPolarHBondContact O-CB 3.49Å; W376-L379 PolarHBondContact O-N 3.26Å; W376-L379 VanDerWaalsContact O-N 3.15Å; W376-L380 WeakPolarHBondContact O-CG 3.39Å; W376-L380 PolarHBondContact O-N 3.38Å; W376-I402 HydrophobicContact CH2-CG2 4.18Å; W376-I402 HydrophobicContact CZ2-CG2 3.83Å
377	K	97	Very high	96.1	Very high	54 Å²	54	58 Å²	58	24%	0.235	27%	0.271	C	S	.	.	H	α-helix	trans	-56.7	-47	177.5	-169.1	-159.2	-179.8	-40.7	0	111.1	H375 L379 L380 D381 N387 F388 E390	H375-K377 PolarHBondContact O-N 3.28Å; K377-L379 VanDerWaalsContact C-N 3.32Å; K377-L379 PolarHBondContact O-N 3.13Å; K377-L380 PolarHBondContact O-N 3.01Å; K377-D381 VanDerWaalsContact NZ-CG 3.32Å; K377-D381 IonicContact NZ-OD1 2.7Å; K377-D381 PolarHBondContact NZ-OD1 3.49Å; K377-D381 IonicContact NZ-OD2 3.3Å; K377-D381 PolarHBondContact NZ-OD2 3.16Å; K377-D381 WeakPolarHBondContact O-CB 3.39Å; K377-D381 PolarHBondContact O-N 2.97Å; K377-N387 PolarHBondContact NZ-OD1 3.31Å; K377-F388 WeakPolarHBondContact CE-O 3.38Å; K377-F388 PolarHBondContact NZ-O 3.14Å; K377-E390 HydrophobicContact CD-CG 4.45Å
378	R	96.9	Very high	95.9	Very high	113 Å²	113	58.3 Å²	58.3	43%	0.426	27%	0.272	S	S	.	.	H	α-helix	trans	-59.9	-41.3	178.1	179.7	178.9	169.1	-157.9	-7.3	112	D247 H375 W376 R382	D247-R378 IonicContact OD1-CZ 2.91Å; D247-R378 IonicContact OD1-NH1 3.66Å; D247-R378 PolarHBondContact OD1-NH1 3.15Å; D247-R378 IonicContact OD1-NH2 3.5Å; D247-R378 IonicContact OD2-CZ 2.69Å; D247-R378 VanDerWaalsContact OD2-CZ 3.25Å; D247-R378 IonicContact OD2-NH1 3.54Å; D247-R378 PolarHBondContact OD2-NH1 2.93Å; D247-R378 IonicContact OD2-NH2 3.28Å; D247-R378 PolarHBondContact OD2-NH2 3.48Å; H375-R378 HydrophobicContact CB-CB 4.02Å; H375-R378 PolarHBondContact O-N 2.88Å; W376-R378 VanDerWaalsContact C-N 3.32Å; W376-R378 PolarHBondContact O-N 2.88Å; R378-R382 VanDerWaalsContact O-CB 3.25Å; R378-R382 WeakPolarHBondContact O-CB 3.37Å; R378-R382 PolarHBondContact O-N 3.43Å
379	L	96.9	Very high	95.8	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-65	-48.9	177.3	178.5	65.2	0	0	0	111.2	L252 F265 H375 W376 K377 R382 I383	L252-L379 HydrophobicContact CB-CD1 4.26Å; L252-L379 HydrophobicContact CD2-CD1 4.29Å; L252-L379 HydrophobicContact CD2-CD2 3.57Å; L252-L379 HydrophobicContact CG-CD1 3.95Å; L252-L379 HydrophobicContact CG-CD2 3.93Å; F265-L379 HydrophobicContact CE2-CD2 4.42Å; F265-L379 HydrophobicContact CZ-CD2 4.02Å; H375-L379 PolarHBondContact O-N 3.15Å; H375-L379 VanDerWaalsContact O-N 3.09Å; W376-L379 WeakPolarHBondContact O-CB 3.49Å; W376-L379 PolarHBondContact O-N 3.26Å; W376-L379 VanDerWaalsContact O-N 3.15Å; K377-L379 VanDerWaalsContact C-N 3.32Å; K377-L379 PolarHBondContact O-N 3.13Å; L379-R382 PolarHBondContact O-N 3.06Å; L379-I383 HydrophobicContact CD1-CD1 3.82Å; L379-I383 HydrophobicContact CD1-CG1 4.31Å; L379-I383 HydrophobicContact CG-CD1 3.89Å; L379-I383 WeakPolarHBondContact O-CG1 3.39Å; L379-I383 PolarHBondContact O-N 3.29Å
380	L	96.7	Very high	95.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-48	-178.9	-67.7	176.5	0	0	0	112	L267 I281 L364 W376 K377 R382 I383 F384 F388	L267-L380 HydrophobicContact CD1-CD2 3.61Å; L267-L380 HydrophobicContact CG-CD2 4.42Å; I281-L380 HydrophobicContact CD1-CD2 4.44Å; I281-L380 HydrophobicContact CG2-CD2 4.32Å; L364-L380 HydrophobicContact CD1-CD1 3.84Å; L364-L380 HydrophobicContact CD2-CD1 3.25Å; L364-L380 HydrophobicContact CG-CD1 4.2Å; W376-L380 WeakPolarHBondContact O-CG 3.39Å; W376-L380 PolarHBondContact O-N 3.38Å; K377-L380 PolarHBondContact O-N 3.01Å; L380-R382 PolarHBondContact O-N 2.9Å; L380-R382 VanDerWaalsContact O-N 3.13Å; L380-I383 PolarHBondContact O-N 3.22Å; L380-I383 VanDerWaalsContact O-N 3.14Å; L380-F384 HydrophobicContact CB-CD2 4.4Å; L380-F384 HydrophobicContact CD2-CD2 4.15Å; L380-F384 HydrophobicContact CD2-CE2 3.66Å; L380-F384 WeakPolarHBondContact O-CB 3.18Å; L380-F384 VanDerWaalsContact O-CD2 3.28Å; L380-F384 WeakPolarHBondContact O-CD2 3.28Å; L380-F384 PolarHBondContact O-N 3.08Å; L380-F388 HydrophobicContact CB-CD2 3.84Å; L380-F388 HydrophobicContact CB-CE2 4.02Å
381	D	96.4	Very high	95.8	Very high	36 Å²	36	56.3 Å²	56.3	19%	0.193	28%	0.281	C	S	.	.	H	α-helix	trans	-54.6	-38.2	176.8	-67.6	-14.2	0	0	0	111.1	K377 H385 D386 F388	K377-D381 VanDerWaalsContact NZ-CG 3.32Å; K377-D381 IonicContact NZ-OD1 2.7Å; K377-D381 PolarHBondContact NZ-OD1 3.49Å; K377-D381 IonicContact NZ-OD2 3.3Å; K377-D381 PolarHBondContact NZ-OD2 3.16Å; K377-D381 WeakPolarHBondContact O-CB 3.39Å; K377-D381 PolarHBondContact O-N 2.97Å; D381-H385 VanDerWaalsContact O-CA 3.25Å; D381-H385 WeakPolarHBondContact O-CA 3.47Å; D381-H385 PolarHBondContact O-N 2.98Å; D381-D386 WeakPolarHBondContact CA-O 3.5Å; D381-D386 WeakPolarHBondContact CB-O 3.42Å; D381-D386 PolarHBondContact O-N 3.24Å; D381-F388 PolarHBondContact OD1-N 2.88Å
382	R	96.1	Very high	95.7	Very high	123 Å²	123	59.5 Å²	59.5	46%	0.464	30%	0.295	S	S	.	.	H	α-helix	trans	-72.3	-42.5	-179.9	-169.4	63.7	170.3	175.7	-1.3	113	E250 Y253 R378 L379 L380	E250-R382 IonicContact OE2-NE 3.27Å; Y253-R382 HydrophobicContact CD1-CG 3.73Å; Y253-R382 HydrophobicContact CD2-CB 4.08Å; Y253-R382 HydrophobicContact CD2-CG 3.4Å; Y253-R382 HydrophobicContact CE1-CG 3.96Å; Y253-R382 HydrophobicContact CE2-CG 3.64Å; Y253-R382 HydrophobicContact CG-CB 4.33Å; Y253-R382 HydrophobicContact CG-CG 3.44Å; Y253-R382 VanDerWaalsContact CG-CG 3.44Å; R378-R382 VanDerWaalsContact O-CB 3.25Å; R378-R382 WeakPolarHBondContact O-CB 3.37Å; R378-R382 PolarHBondContact O-N 3.43Å; L379-R382 PolarHBondContact O-N 3.06Å; L380-R382 PolarHBondContact O-N 2.9Å; L380-R382 VanDerWaalsContact O-N 3.13Å
383	I	95.3	Very high	95.7	Very high	11 Å²	11	59.8 Å²	59.8	6%	0.056	29%	0.289	C	S	.	.	H	α-helix	trans	-69.2	-46.2	178.8	-70.2	174	0	0	0	110.8	Y253 Q256 L267 L379 L380 V571	Y253-I383 HydrophobicContact CD2-CG1 3.88Å; Q256-I383 HydrophobicContact CB-CD1 4.32Å; L267-I383 HydrophobicContact CD1-CD1 4.06Å; L267-I383 HydrophobicContact CD2-CD1 4.45Å; L379-I383 HydrophobicContact CD1-CD1 3.82Å; L379-I383 HydrophobicContact CD1-CG1 4.31Å; L379-I383 HydrophobicContact CG-CD1 3.89Å; L379-I383 WeakPolarHBondContact O-CG1 3.39Å; L379-I383 PolarHBondContact O-N 3.29Å; L380-I383 PolarHBondContact O-N 3.22Å; L380-I383 VanDerWaalsContact O-N 3.14Å; I383-V571 HydrophobicContact CG2-CG2 4.19Å
384	F	94.9	Very high	95.8	Very high	11 Å²	11	58 Å²	58	5%	0.048	28%	0.277	C	S	.	.	H	α-helix	trans	-86.5	-11.5	-173.1	-70.8	-99.6	0	0	0	113.2	L267 V269 I281 L380 D386 F388 V571 I574	L267-F384 HydrophobicContact CD2-CE2 3.94Å; L267-F384 HydrophobicContact CD2-CZ 4.14Å; V269-F384 HydrophobicContact CG2-CE1 3.56Å; V269-F384 HydrophobicContact CG2-CZ 3.81Å; I281-F384 HydrophobicContact CD1-CD2 4.49Å; I281-F384 HydrophobicContact CD1-CE1 4.03Å; I281-F384 HydrophobicContact CD1-CE2 3.91Å; I281-F384 HydrophobicContact CD1-CZ 3.66Å; I281-F384 HydrophobicContact CG1-CE1 4.02Å; I281-F384 HydrophobicContact CG1-CE2 4.39Å; I281-F384 HydrophobicContact CG1-CZ 3.69Å; I281-F384 HydrophobicContact CG2-CZ 4.27Å; L380-F384 HydrophobicContact CB-CD2 4.4Å; L380-F384 HydrophobicContact CD2-CD2 4.15Å; L380-F384 HydrophobicContact CD2-CE2 3.66Å; L380-F384 WeakPolarHBondContact O-CB 3.18Å; L380-F384 VanDerWaalsContact O-CD2 3.28Å; L380-F384 WeakPolarHBondContact O-CD2 3.28Å; L380-F384 PolarHBondContact O-N 3.08Å; F384-D386 HydrophobicContact CB-CB 4.22Å; F384-D386 PolarHBondContact O-N 3.04Å; F384-F388 HydrophobicContact CB-CE2 3.56Å; F384-F388 HydrophobicContact CB-CZ 3.81Å; F384-F388 HydrophobicContact CD1-CE2 4.35Å; F384-F388 AromaticContact CD1-CZ 3.97Å; F384-F388 HydrophobicContact CD1-CZ 3.97Å; F384-F388 AromaticContact CD2-CE2 3.8Å; F384-F388 HydrophobicContact CD2-CE2 3.8Å; F384-F388 HydrophobicContact CD2-CZ 4.2Å; F384-F388 AromaticContact CG-CE2 3.64Å; F384-F388 HydrophobicContact CG-CE2 3.64Å; F384-F388 AromaticContact CG-CZ 3.73Å; F384-F388 HydrophobicContact CG-CZ 3.73Å; F384-V571 HydrophobicContact CB-CG1 4.04Å; F384-V571 HydrophobicContact CD1-CB 4.23Å; F384-V571 HydrophobicContact CD1-CG1 3.81Å; F384-V571 HydrophobicContact CD1-CG2 4.05Å; F384-V571 HydrophobicContact CE1-CG2 4.32Å; F384-V571 HydrophobicContact CG-CG1 4.22Å; F384-V571 HydrophobicContact CG-CG2 4.36Å; F384-V571 WeakPolarHBondContact O-CG1 3.35Å; F384-I574 HydrophobicContact CD1-CG2 4.13Å; F384-I574 HydrophobicContact CE1-CB 4.33Å; F384-I574 HydrophobicContact CE1-CG2 4.4Å
385	H	93.8	Very high	95.9	Very high	148 Å²	148	58 Å²	58	69%	0.685	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	36.1	-170.8	-57	-66	0	0	0	112.3	D381	D381-H385 VanDerWaalsContact O-CA 3.25Å; D381-H385 WeakPolarHBondContact O-CA 3.47Å; D381-H385 PolarHBondContact O-N 2.98Å
386	D	93.3	Very high	96	Very high	62 Å²	62	52.4 Å²	52.4	33%	0.332	25%	0.252	S	S	.	.	S	Bend	trans	-125.1	166.6	-179.8	-162.6	4.6	0	0	0	109.8	D381 F384 F388 H575	D381-D386 WeakPolarHBondContact CA-O 3.5Å; D381-D386 WeakPolarHBondContact CB-O 3.42Å; D381-D386 PolarHBondContact O-N 3.24Å; F384-D386 HydrophobicContact CB-CB 4.22Å; F384-D386 PolarHBondContact O-N 3.04Å; D386-F388 HydrophobicContact CB-CE2 4.21Å; D386-F388 HydrophobicContact CB-CZ 4.2Å; D386-H575 IonicContact OD2-CE1 3.53Å; D386-H575 PolarHBondContact OD2-CE1 3.15Å; D386-H575 VanDerWaalsContact OD2-CE1 3.24Å; D386-H575 IonicContact OD2-NE2 2.85Å; D386-H575 PolarHBondContact OD2-NE2 3.47Å
387	N	94.1	Very high	95.9	Very high	125 Å²	125	52.8 Å²	52.8	67%	0.668	25%	0.253	S	S	*	.			trans	-113.8	83	175.4	-178.8	26	0	0	0	109.4	K377	K377-N387 PolarHBondContact NZ-OD1 3.31Å
388	F	94.9	Very high	95.7	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.035	25%	0.246	C	C	.	.			trans	-66.7	142.1	-177.2	-68.9	-69.8	0	0	0	111.6	I281 L364 K377 L380 D381 F384 D386 E392	I281-F388 HydrophobicContact CD1-CE1 4.25Å; I281-F388 HydrophobicContact CD1-CE2 4.27Å; I281-F388 HydrophobicContact CD1-CZ 3.84Å; L364-F388 HydrophobicContact CD1-CB 3.82Å; K377-F388 WeakPolarHBondContact CE-O 3.38Å; K377-F388 PolarHBondContact NZ-O 3.14Å; L380-F388 HydrophobicContact CB-CD2 3.84Å; L380-F388 HydrophobicContact CB-CE2 4.02Å; D381-F388 PolarHBondContact OD1-N 2.88Å; F384-F388 HydrophobicContact CB-CE2 3.56Å; F384-F388 HydrophobicContact CB-CZ 3.81Å; F384-F388 HydrophobicContact CD1-CE2 4.35Å; F384-F388 AromaticContact CD1-CZ 3.97Å; F384-F388 HydrophobicContact CD1-CZ 3.97Å; F384-F388 AromaticContact CD2-CE2 3.8Å; F384-F388 HydrophobicContact CD2-CE2 3.8Å; F384-F388 HydrophobicContact CD2-CZ 4.2Å; F384-F388 AromaticContact CG-CE2 3.64Å; F384-F388 HydrophobicContact CG-CE2 3.64Å; F384-F388 AromaticContact CG-CZ 3.73Å; F384-F388 HydrophobicContact CG-CZ 3.73Å; D386-F388 HydrophobicContact CB-CE2 4.21Å; D386-F388 HydrophobicContact CB-CZ 4.2Å; F388-E392 HydrophobicContact CB-CB 4.22Å; F388-E392 HydrophobicContact CB-CG 4.39Å; F388-E392 HydrophobicContact CD1-CB 4.33Å; F388-E392 HydrophobicContact CD1-CG 3.65Å; F388-E392 HydrophobicContact CE1-CG 4.29Å; F388-E392 HydrophobicContact CG-CG 4.28Å
389	S	96.1	Very high	95.6	Very high	67 Å²	67	46.6 Å²	46.6	47%	0.469	23%	0.234	S	C	.	.			trans	-66.9	151.6	167.2	-178.4	0	0	0	0	110.2	D391 E392	S389-D391 PolarHBondContact O-N 2.96Å; S389-D391 VanDerWaalsContact O-N 3.15Å; S389-D391 PolarHBondContact OG-N 3.42Å; S389-E392 WeakPolarHBondContact O-CB 3.38Å; S389-E392 PolarHBondContact O-N 3.49Å
390	E	95.9	Very high	95.5	Very high	91 Å²	91	51.9 Å²	51.9	43%	0.425	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.5	169.6	-67.3	-170.7	174.6	0	0	112.7	L364 R365 K377	L364-E390 PolarHBondContact N-O 3.45Å; R365-E390 HydrophobicContact CB-CB 4.3Å; R365-E390 WeakPolarHBondContact CB-O 3.48Å; R365-E390 IonicContact CZ-OE2 3.11Å; R365-E390 PolarHBondContact N-O 3.33Å; R365-E390 IonicContact NE-OE2 3.99Å; R365-E390 IonicContact NH1-OE2 2.63Å; R365-E390 PolarHBondContact NH1-OE2 2.97Å; R365-E390 IonicContact NH2-OE2 3.35Å; R365-E390 PolarHBondContact NH2-OE2 3.12Å; K377-E390 HydrophobicContact CD-CG 4.45Å
391	D	96.9	Very high	95.4	Very high	90 Å²	90	52.2 Å²	52.2	48%	0.481	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6.7	177.8	-52.1	-43.8	0	0	0	112.5	R365 S389 E393	R365-D391 IonicContact CZ-OD1 3.52Å; R365-D391 IonicContact NE-OD1 3.12Å; R365-D391 PolarHBondContact NE-OD1 3.41Å; R365-D391 VanDerWaalsContact NE-OD1 3.12Å; R365-D391 IonicContact NH2-OD1 3.01Å; R365-D391 PolarHBondContact NH2-OD1 3.29Å; R365-D391 IonicContact NH2-OD2 3.59Å; S389-D391 PolarHBondContact O-N 2.96Å; S389-D391 VanDerWaalsContact O-N 3.15Å; S389-D391 PolarHBondContact OG-N 3.42Å; D391-E393 PolarHBondContact O-N 2.79Å
392	E	95.8	Very high	95.5	Very high	68 Å²	68	50.5 Å²	50.5	32%	0.318	26%	0.255	S	S	.	.			trans	-57.7	130.9	171.5	-177.9	63.1	-146	0	0	110.3	T363 L364 F388 S389	T363-E392 CarbonylContact C-O 3.6Å; T363-E392 VanDerWaalsContact CA-O 3.24Å; T363-E392 WeakPolarHBondContact CA-O 3.31Å; L364-E392 HydrophobicContact CD1-CB 3.95Å; L364-E392 HydrophobicContact CG-CB 4.03Å; L364-E392 PolarHBondContact N-O 3.41Å; F388-E392 HydrophobicContact CB-CB 4.22Å; F388-E392 HydrophobicContact CB-CG 4.39Å; F388-E392 HydrophobicContact CD1-CB 4.33Å; F388-E392 HydrophobicContact CD1-CG 3.65Å; F388-E392 HydrophobicContact CE1-CG 4.29Å; F388-E392 HydrophobicContact CG-CG 4.28Å; S389-E392 WeakPolarHBondContact O-CB 3.38Å; S389-E392 PolarHBondContact O-N 3.49Å
393	E	96	Very high	95.6	Very high	86 Å²	86	49.2 Å²	49.2	40%	0.402	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128	-177	-67.8	-177.5	99.2	0	0	111.1	R361 I362 T363 D391	R361-E393 HydrophobicContact CG-CB 4.26Å; R361-E393 IonicContact CZ-OE1 3.73Å; R361-E393 IonicContact CZ-OE2 2.73Å; R361-E393 IonicContact NE-OE1 3.71Å; R361-E393 PolarHBondContact NE-OE1 3.18Å; R361-E393 IonicContact NE-OE2 3.72Å; R361-E393 IonicContact NH1-OE1 3.39Å; R361-E393 PolarHBondContact NH1-OE1 2.94Å; R361-E393 IonicContact NH1-OE2 3.48Å; R361-E393 PolarHBondContact NH1-OE2 2.94Å; R361-E393 VanDerWaalsContact NH1-OE2 3.16Å; R361-E393 IonicContact NH2-OE1 2.83Å; R361-E393 IonicContact NH2-OE2 3.42Å; R361-E393 PolarHBondContact NH2-OE2 3.18Å; I362-E393 WeakPolarHBondContact O-CA 3.04Å; T363-E393 HydrophobicContact CG2-CG 4.46Å; D391-E393 PolarHBondContact O-N 2.79Å
394	I	96.9	Very high	95.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158.9	178.5	57.9	163.6	0	0	0	110.5	I281 I283 R361 I362 L364 L367 V396	I281-I394 HydrophobicContact CB-CB 4.47Å; I281-I394 HydrophobicContact CB-CG2 3.94Å; I281-I394 HydrophobicContact CD1-CG2 4.31Å; I281-I394 HydrophobicContact CG2-CG2 4.31Å; I283-I394 HydrophobicContact CD1-CD1 3.95Å; R361-I394 WeakPolarHBondContact CA-O 2.95Å; I362-I394 HydrophobicContact CG1-CG1 4.18Å; I362-I394 PolarHBondContact N-O 3.48Å; I362-I394 WeakPolarHBondContact O-CG1 3.44Å; I362-I394 PolarHBondContact O-N 2.87Å; L364-I394 HydrophobicContact CD2-CD1 3.72Å; L364-I394 HydrophobicContact CD2-CG1 4.14Å; L364-I394 HydrophobicContact CD2-CG2 3.75Å; L367-I394 HydrophobicContact CB-CD1 4.09Å; L367-I394 HydrophobicContact CD2-CD1 3.28Å; L367-I394 HydrophobicContact CG-CD1 4.25Å; I394-V396 HydrophobicContact CD1-CG2 4.09Å; I394-V396 HydrophobicContact CG1-CG2 4.46Å
395	V	97.6	Very high	95.9	Very high	4 Å²	4	53 Å²	53	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.7	176.6	-179.4	0	0	0	0	109.2	A280 I281 R282 I283 Y359 L397	A280-V395 HydrophobicContact CB-CG2 4.12Å; I281-V395 PolarHBondContact O-N 2.79Å; R282-V395 CarbonylContact C-O 2.94Å; R282-V395 VanDerWaalsContact CA-O 3.29Å; R282-V395 WeakPolarHBondContact CA-O 3.49Å; I283-V395 PolarHBondContact N-O 3.03Å; Y359-V395 HydrophobicContact CD2-CG1 3.85Å; Y359-V395 HydrophobicContact CE2-CG1 3.86Å; Y359-V395 HydrophobicContact CE2-CG2 3.85Å; Y359-V395 HydrophobicContact CG-CG1 4.49Å; V395-L397 HydrophobicContact CG1-CD2 3.72Å; V395-L397 HydrophobicContact CG1-CG 4.41Å
396	V	97.1	Very high	96.1	Very high	1 Å²	1	46 Å²	46	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.2	174.2	-176	0	0	0	0	108.2	I283 M358 N360 I362 L367 I394 I402	I283-V396 HydrophobicContact CB-CG2 4.37Å; I283-V396 WeakPolarHBondContact O-CA 3.26Å; M358-V396 VanDerWaalsContact O-O 3.13Å; N360-V396 VanDerWaalsContact CB-O 3.27Å; N360-V396 WeakPolarHBondContact CB-O 3.28Å; N360-V396 PolarHBondContact N-O 3.19Å; N360-V396 VanDerWaalsContact N-O 3.12Å; N360-V396 PolarHBondContact O-N 2.85Å; I362-V396 HydrophobicContact CD1-CB 4.41Å; I362-V396 HydrophobicContact CD1-CG2 3.71Å; I362-V396 HydrophobicContact CG1-CG2 3.9Å; L367-V396 HydrophobicContact CD1-CG2 4.46Å; I394-V396 HydrophobicContact CD1-CG2 4.09Å; I394-V396 HydrophobicContact CG1-CG2 4.46Å; V396-I402 HydrophobicContact CG1-CG1 4.15Å
397	L	94.6	Very high	96.3	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.042	24%	0.242	C	C	.	.	S	Bend	trans	-96.8	-19.5	-178	-63.9	-166.2	0	0	0	114.5	R282 I283 D284 M358 V395	R282-L397 HydrophobicContact CG-CD1 4.39Å; R282-L397 HydrophobicContact CG-CG 4.36Å; I283-L397 PolarHBondContact O-N 3.04Å; D284-L397 HydrophobicContact CB-CB 4.29Å; M358-L397 HydrophobicContact CB-CD2 4.36Å; M358-L397 HydrophobicContact CE-CB 4.06Å; M358-L397 HydrophobicContact CE-CD1 4Å; M358-L397 WeakPolarHBondContact O-CA 3.03Å; V395-L397 HydrophobicContact CG1-CD2 3.72Å; V395-L397 HydrophobicContact CG1-CG 4.41Å
398	A	93.9	Very high	96.5	Very high	11 Å²	11	41.8 Å²	41.8	9%	0.091	22%	0.215	C	C	.	.			trans	-131.2	59.3	-176.3	0	0	0	0	0	110.7	Q285 D400 Y401 I402	Q285-A398 HydrophobicContact CB-CB 4.02Å; Q285-A398 HydrophobicContact CG-CB 4.47Å; A398-D400 VanDerWaalsContact C-N 3.34Å; A398-D400 PolarHBondContact O-N 2.77Å; A398-Y401 HydrophobicContact CB-CG 4.45Å; A398-Y401 WeakPolarHBondContact O-CB 3.38Å; A398-Y401 PolarHBondContact O-N 3.23Å; A398-Y401 VanDerWaalsContact O-N 3.09Å; A398-I402 WeakPolarHBondContact O-CG1 3.18Å; A398-I402 PolarHBondContact O-N 2.97Å
399	T	94.3	Very high	96.6	Very high	27 Å²	27	42 Å²	42	17%	0.166	22%	0.216	C	C	.	.	H	α-helix	trans	-54.3	-47	-174.4	-53.2	0	0	0	0	113	I370 Y401 I402 Q403	I370-T399 HydrophobicContact CD1-CG2 3.97Å; I370-T399 HydrophobicContact CG2-CG2 4.06Å; T399-Y401 VanDerWaalsContact C-N 3.3Å; T399-Y401 PolarHBondContact O-N 2.91Å; T399-I402 PolarHBondContact O-N 3.4Å; T399-Q403 PolarHBondContact O-N 3.02Å
400	D	94.3	Very high	96.6	Very high	113 Å²	113	46.3 Å²	46.3	60%	0.604	23%	0.226	S	C	*	.	H	α-helix	trans	-62.7	-38	178.9	-71	0	0	0	0	112.2	A398 K404	A398-D400 VanDerWaalsContact C-N 3.34Å; A398-D400 PolarHBondContact O-N 2.77Å; D400-K404 WeakPolarHBondContact O-CG 3.34Å; D400-K404 PolarHBondContact O-N 3.11Å; D400-K404 VanDerWaalsContact O-N 3.09Å
401	Y	96.4	Very high	96.7	Very high	6 Å²	6	48.3 Å²	48.3	2%	0.024	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-47	175.6	173.2	-90.9	0	0	0	110.5	F264 Q285 E286 I343 T344 A398 T399 Q403 K404 V405	F264-Y401 WeakPolarHBondContact O-CE1 3.45Å; F264-Y401 PolarHBondContact O-OH 3.07Å; Q285-Y401 VanDerWaalsContact CA-CE1 3.47Å; Q285-Y401 HydrophobicContact CB-CD1 3.52Å; Q285-Y401 HydrophobicContact CB-CD2 3.95Å; Q285-Y401 HydrophobicContact CB-CE1 3.66Å; Q285-Y401 HydrophobicContact CB-CE2 4.08Å; Q285-Y401 HydrophobicContact CB-CG 3.68Å; E286-Y401 PolarHBondContact O-OH 3.12Å; I343-Y401 HydrophobicContact CB-CD2 4.34Å; I343-Y401 HydrophobicContact CD1-CD2 3.72Å; I343-Y401 HydrophobicContact CD1-CE2 3.66Å; I343-Y401 HydrophobicContact CD1-CG 4.46Å; I343-Y401 HydrophobicContact CG1-CD2 3.72Å; I343-Y401 HydrophobicContact CG1-CE2 3.62Å; T344-Y401 WeakPolarHBondContact OG1-CE2 3.25Å; A398-Y401 HydrophobicContact CB-CG 4.45Å; A398-Y401 WeakPolarHBondContact O-CB 3.38Å; A398-Y401 PolarHBondContact O-N 3.23Å; A398-Y401 VanDerWaalsContact O-N 3.09Å; T399-Y401 VanDerWaalsContact C-N 3.3Å; T399-Y401 PolarHBondContact O-N 2.91Å; Y401-Q403 VanDerWaalsContact C-N 3.31Å; Y401-Q403 PolarHBondContact O-N 3.13Å; Y401-K404 PolarHBondContact O-N 2.83Å; Y401-K404 VanDerWaalsContact O-N 3.16Å; Y401-V405 HydrophobicContact CD1-CG2 3.91Å; Y401-V405 HydrophobicContact CE1-CG2 3.42Å; Y401-V405 VanDerWaalsContact CE1-CG2 3.42Å; Y401-V405 HydrophobicContact CE2-CG2 4.11Å; Y401-V405 HydrophobicContact CG-CG2 4.42Å; Y401-V405 WeakPolarHBondContact O-CB 3.42Å; Y401-V405 WeakPolarHBondContact O-CG2 3.42Å; Y401-V405 PolarHBondContact O-N 3.38Å
402	I	97.8	Very high	96.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-37.5	179.7	-63.1	-61.5	0	0	0	111.8	F265 I283 L367 A371 W376 V396 A398 T399 S406	F265-I402 HydrophobicContact CB-CD1 3.54Å; F265-I402 HydrophobicContact CD1-CD1 4.47Å; F265-I402 HydrophobicContact CG-CD1 4.14Å; I283-I402 HydrophobicContact CG2-CD1 3.64Å; I283-I402 HydrophobicContact CG2-CG1 4.06Å; L367-I402 HydrophobicContact CD1-CG2 3.92Å; A371-I402 HydrophobicContact CB-CG2 3.73Å; W376-I402 HydrophobicContact CH2-CG2 4.18Å; W376-I402 HydrophobicContact CZ2-CG2 3.83Å; V396-I402 HydrophobicContact CG1-CG1 4.15Å; A398-I402 WeakPolarHBondContact O-CG1 3.18Å; A398-I402 PolarHBondContact O-N 2.97Å; T399-I402 PolarHBondContact O-N 3.4Å; I402-S406 PolarHBondContact O-N 3.19Å; I402-S406 VanDerWaalsContact O-N 3.1Å
403	Q	97.5	Very high	96.4	Very high	96 Å²	96	44.9 Å²	44.9	45%	0.449	23%	0.23	S	C	.	.	H	α-helix	trans	-61.2	-51.4	171.9	-175.3	178.2	9	0	0	111.6	I370 T399 Y401 V405 S406 D407	I370-Q403 HydrophobicContact CG2-CB 3.95Å; T399-Q403 PolarHBondContact O-N 3.02Å; Y401-Q403 VanDerWaalsContact C-N 3.31Å; Y401-Q403 PolarHBondContact O-N 3.13Å; Q403-V405 VanDerWaalsContact C-N 3.32Å; Q403-V405 PolarHBondContact O-N 3.23Å; Q403-S406 WeakPolarHBondContact O-CA 3.47Å; Q403-S406 WeakPolarHBondContact O-CB 3.2Å; Q403-S406 PolarHBondContact O-N 2.86Å; Q403-D407 PolarHBondContact O-N 2.92Å
404	K	98.2	Very high	96.1	Very high	99 Å²	99	48.1 Å²	48.1	43%	0.43	24%	0.243	S	C	.	.	H	α-helix	trans	-64.3	-35.7	-179.9	-69.5	173.1	-174.8	173.5	0	112.5	I343 D400 Y401 S406 D407 I408	I343-K404 HydrophobicContact CB-CB 4.29Å; I343-K404 HydrophobicContact CB-CD 3.91Å; I343-K404 HydrophobicContact CD1-CB 3.67Å; I343-K404 HydrophobicContact CG2-CB 4.11Å; I343-K404 HydrophobicContact CG2-CD 3.71Å; I343-K404 HydrophobicContact CG2-CG 4.47Å; D400-K404 WeakPolarHBondContact O-CG 3.34Å; D400-K404 PolarHBondContact O-N 3.11Å; D400-K404 VanDerWaalsContact O-N 3.09Å; Y401-K404 PolarHBondContact O-N 2.83Å; Y401-K404 VanDerWaalsContact O-N 3.16Å; K404-S406 VanDerWaalsContact C-N 3.29Å; K404-S406 PolarHBondContact O-N 2.81Å; K404-D407 WeakPolarHBondContact O-CB 3.36Å; K404-D407 PolarHBondContact O-N 2.98Å; K404-I408 WeakPolarHBondContact O-CG1 3.35Å; K404-I408 PolarHBondContact O-N 3.06Å
405	V	98.2	Very high	95.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-58.6	-43	171	161.9	0	0	0	0	110.7	F264 L340 I343 Y401 Q403 D407 I408 I409	F264-V405 HydrophobicContact CB-CG1 3.74Å; F264-V405 HydrophobicContact CD1-CG1 4.43Å; F264-V405 HydrophobicContact CG-CG1 4.33Å; L340-V405 HydrophobicContact CD2-CG2 4.01Å; I343-V405 HydrophobicContact CD1-CG2 3.72Å; Y401-V405 HydrophobicContact CD1-CG2 3.91Å; Y401-V405 HydrophobicContact CE1-CG2 3.42Å; Y401-V405 VanDerWaalsContact CE1-CG2 3.42Å; Y401-V405 HydrophobicContact CE2-CG2 4.11Å; Y401-V405 HydrophobicContact CG-CG2 4.42Å; Y401-V405 WeakPolarHBondContact O-CB 3.42Å; Y401-V405 WeakPolarHBondContact O-CG2 3.42Å; Y401-V405 PolarHBondContact O-N 3.38Å; Q403-V405 VanDerWaalsContact C-N 3.32Å; Q403-V405 PolarHBondContact O-N 3.23Å; V405-D407 VanDerWaalsContact C-N 3.26Å; V405-D407 PolarHBondContact O-N 2.62Å; V405-I408 PolarHBondContact O-N 3.33Å; V405-I409 HydrophobicContact CG1-CD1 3.67Å; V405-I409 HydrophobicContact CG1-CG1 4.31Å; V405-I409 VanDerWaalsContact O-CG1 3.29Å; V405-I409 WeakPolarHBondContact O-CG1 3.24Å; V405-I409 PolarHBondContact O-N 3.15Å
406	S	97.9	Very high	95.5	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-57.9	-41	176	-165.5	0	0	0	0	111.8	A371 P372 S373 I402 Q403 K404 K410	A371-S406 VanDerWaalsContact C-OG 3.28Å; A371-S406 WeakPolarHBondContact CA-OG 3.06Å; P372-S406 WeakPolarHBondContact CD-OG 3.46Å; S373-S406 WeakPolarHBondContact CB-O 3.03Å; S373-S406 VanDerWaalsContact CB-OG 3.25Å; S373-S406 WeakPolarHBondContact CB-OG 3.27Å; S373-S406 PolarHBondContact N-OG 3.04Å; S373-S406 PolarHBondContact OG-O 3.34Å; S373-S406 PolarHBondContact OG-OG 3.42Å; I402-S406 PolarHBondContact O-N 3.19Å; I402-S406 VanDerWaalsContact O-N 3.1Å; Q403-S406 WeakPolarHBondContact O-CA 3.47Å; Q403-S406 WeakPolarHBondContact O-CB 3.2Å; Q403-S406 PolarHBondContact O-N 2.86Å; K404-S406 VanDerWaalsContact C-N 3.29Å; K404-S406 PolarHBondContact O-N 2.81Å; S406-K410 WeakPolarHBondContact O-CB 3.17Å; S406-K410 PolarHBondContact O-N 3.31Å
407	D	97.8	Very high	95.4	Very high	81 Å²	81	51.6 Å²	51.6	43%	0.433	26%	0.257	S	S	.	.	H	α-helix	trans	-68.2	-42.5	177.2	-66.2	-33.5	0	0	0	112.2	Q403 K404 V405 I409 K410 N411	Q403-D407 PolarHBondContact O-N 2.92Å; K404-D407 WeakPolarHBondContact O-CB 3.36Å; K404-D407 PolarHBondContact O-N 2.98Å; V405-D407 VanDerWaalsContact C-N 3.26Å; V405-D407 PolarHBondContact O-N 2.62Å; D407-I409 VanDerWaalsContact C-N 3.35Å; D407-I409 PolarHBondContact O-N 2.88Å; D407-K410 PolarHBondContact O-N 3.07Å; D407-N411 WeakPolarHBondContact O-CB 3.23Å; D407-N411 PolarHBondContact O-N 3.41Å; D407-N411 PolarHBondContact O-ND2 2.92Å
408	I	98.1	Very high	95.4	Very high	19 Å²	19	51.6 Å²	51.6	10%	0.097	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-46.6	174.9	-69.5	169.7	0	0	0	110.2	L336 Q339 L340 I343 K404 V405 K410 N411 T412	L336-I408 HydrophobicContact CD1-CG2 3.41Å; L336-I408 VanDerWaalsContact CD1-CG2 3.41Å; Q339-I408 HydrophobicContact CB-CD1 4.15Å; L340-I408 HydrophobicContact CD2-CD1 4.06Å; I343-I408 HydrophobicContact CD1-CD1 3.63Å; I343-I408 HydrophobicContact CG1-CD1 4.25Å; K404-I408 WeakPolarHBondContact O-CG1 3.35Å; K404-I408 PolarHBondContact O-N 3.06Å; V405-I408 PolarHBondContact O-N 3.33Å; I408-K410 VanDerWaalsContact C-N 3.32Å; I408-K410 PolarHBondContact O-N 3.45Å; I408-N411 PolarHBondContact O-N 3.49Å; I408-T412 VanDerWaalsContact O-CB 3.22Å; I408-T412 WeakPolarHBondContact O-CB 3.49Å; I408-T412 PolarHBondContact O-N 3.29Å; I408-T412 PolarHBondContact O-OG1 3.35Å
409	I	97.5	Very high	95.4	Very high	12 Å²	12	51.1 Å²	51.1	6%	0.062	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-42.9	178.2	-69.5	168.4	0	0	0	110.7	F248 F264 L374 V405 D407 N411 L417	F248-I409 HydrophobicContact CE1-CG2 4.5Å; F248-I409 HydrophobicContact CE2-CG2 4.07Å; F248-I409 HydrophobicContact CZ-CD1 4.03Å; F248-I409 HydrophobicContact CZ-CG1 4.31Å; F248-I409 HydrophobicContact CZ-CG2 3.95Å; F264-I409 HydrophobicContact CD1-CD1 4.38Å; F264-I409 HydrophobicContact CD1-CG1 4.27Å; F264-I409 HydrophobicContact CD2-CD1 4.23Å; F264-I409 HydrophobicContact CE1-CG1 4.17Å; F264-I409 HydrophobicContact CG-CD1 4.16Å; F264-I409 HydrophobicContact CZ-CG1 4.34Å; L374-I409 HydrophobicContact CD1-CD1 4.32Å; L374-I409 HydrophobicContact CD2-CD1 4.07Å; L374-I409 HydrophobicContact CG-CD1 4.34Å; V405-I409 HydrophobicContact CG1-CD1 3.67Å; V405-I409 HydrophobicContact CG1-CG1 4.31Å; V405-I409 VanDerWaalsContact O-CG1 3.29Å; V405-I409 WeakPolarHBondContact O-CG1 3.24Å; V405-I409 PolarHBondContact O-N 3.15Å; D407-I409 VanDerWaalsContact C-N 3.35Å; D407-I409 PolarHBondContact O-N 2.88Å; I409-N411 VanDerWaalsContact C-N 3.33Å; I409-N411 PolarHBondContact O-N 2.92Å; I409-L417 HydrophobicContact CG1-CD2 4.36Å; I409-L417 HydrophobicContact CG2-CD1 4.18Å
410	K	96.6	Very high	95.5	Very high	157 Å²	157	49.9 Å²	49.9	68%	0.683	25%	0.245	S	C	*	.	H	α-helix	trans	-64.8	-37.2	-179.7	-174.1	178	175.8	-175.8	0	112.7	S406 D407 I408	S406-K410 WeakPolarHBondContact O-CB 3.17Å; S406-K410 PolarHBondContact O-N 3.31Å; D407-K410 PolarHBondContact O-N 3.07Å; I408-K410 VanDerWaalsContact C-N 3.32Å; I408-K410 PolarHBondContact O-N 3.45Å
411	N	96.4	Very high	95.7	Very high	134 Å²	134	44.6 Å²	44.6	72%	0.717	22%	0.217	S	C	*	.	H	α-helix	trans	-93.2	-9.9	-174	-65.9	-28.8	0	0	0	113.6	D407 I408 I409	D407-N411 WeakPolarHBondContact O-CB 3.23Å; D407-N411 PolarHBondContact O-N 3.41Å; D407-N411 PolarHBondContact O-ND2 2.92Å; I408-N411 PolarHBondContact O-N 3.49Å; I409-N411 VanDerWaalsContact C-N 3.33Å; I409-N411 PolarHBondContact O-N 2.92Å
412	T	95.4	Very high	95.7	Very high	25 Å²	25	44.3 Å²	44.3	15%	0.153	22%	0.216	C	C	.	.	S	Bend	trans	-92.9	137.6	179.2	-58.3	0	0	0	0	110.3	L336 I408 K414 V416 L417	L336-T412 HydrophobicContact CD1-CG2 4.46Å; I408-T412 VanDerWaalsContact O-CB 3.22Å; I408-T412 WeakPolarHBondContact O-CB 3.49Å; I408-T412 PolarHBondContact O-N 3.29Å; I408-T412 PolarHBondContact O-OG1 3.35Å; T412-K414 PolarHBondContact O-N 3.49Å; T412-V416 HydrophobicContact CG2-CB 3.75Å; T412-V416 HydrophobicContact CG2-CG1 3.81Å; T412-L417 HydrophobicContact CG2-CD2 3.89Å; T412-L417 HydrophobicContact CG2-CG 3.83Å
413	S	92.1	Very high	95.7	Very high	61 Å²	61	44.3 Å²	44.3	43%	0.427	22%	0.216	S	C	.	.			trans	-58.7	140.7	176.6	74.1	0	0	0	0	111.2	R415 V416 L417	S413-R415 PolarHBondContact O-N 3.15Å; S413-V416 PolarHBondContact O-N 3.34Å; S413-V416 WeakPolarHBondContact OG-CG2 3.47Å; S413-V416 PolarHBondContact OG-N 3Å; S413-L417 PolarHBondContact O-N 3.49Å; S413-L417 VanDerWaalsContact O-N 3.16Å
414	K	89.1	Confident	95.6	Very high	154 Å²	154	40.9 Å²	40.9	67%	0.67	20%	0.199	S	C	*	.	H	α-helix	trans	-48.7	-31.8	174.1	-65	177.9	-177	170.4	0	111.9	T412 H418	T412-K414 PolarHBondContact O-N 3.49Å; K414-H418 WeakPolarHBondContact O-CB 3.42Å; K414-H418 PolarHBondContact O-N 3.26Å
415	R	89.2	Confident	95.6	Very high	57 Å²	57	36.2 Å²	36.2	22%	0.215	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-54.3	176.5	171.4	157.9	91.8	63.4	17.5	114.7	W237 E332 S413 L417 H418 N419	W237-R415 HydrophobicContact CD2-CB 3.79Å; W237-R415 HydrophobicContact CD2-CG 4.35Å; W237-R415 HydrophobicContact CE3-CB 3.26Å; W237-R415 HydrophobicContact CE3-CG 3.35Å; W237-R415 HydrophobicContact CH2-CB 3.75Å; W237-R415 HydrophobicContact CH2-CG 3.74Å; W237-R415 WeakPolarHBondContact CH2-O 3.1Å; W237-R415 VanDerWaalsContact CZ2-CA 3.44Å; W237-R415 HydrophobicContact CZ2-CB 4.17Å; W237-R415 HydrophobicContact CZ3-CB 3.28Å; W237-R415 HydrophobicContact CZ3-CG 3.01Å; E332-R415 IonicContact OE1-CZ 3.11Å; E332-R415 IonicContact OE1-NH1 3.57Å; E332-R415 IonicContact OE1-NH2 3.46Å; E332-R415 PolarHBondContact OE1-NH2 2.76Å; E332-R415 IonicContact OE2-CZ 3.53Å; E332-R415 VanDerWaalsContact OE2-CZ 3.28Å; E332-R415 IonicContact OE2-NH1 3.1Å; E332-R415 PolarHBondContact OE2-NH1 3.33Å; E332-R415 IonicContact OE2-NH2 3.41Å; E332-R415 PolarHBondContact OE2-NH2 2.7Å; E332-R415 VanDerWaalsContact OE2-NH2 3.12Å; S413-R415 PolarHBondContact O-N 3.15Å; R415-L417 VanDerWaalsContact C-N 3.33Å; R415-H418 PolarHBondContact O-N 3.13Å; R415-N419 PolarHBondContact O-N 3.36Å; R415-N419 VanDerWaalsContact O-N 3.07Å; R415-N419 PolarHBondContact O-ND2 2.86Å
416	V	93.6	Very high	95.6	Very high	15 Å²	15	36.1 Å²	36.1	9%	0.091	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-40.8	-177.7	174	0	0	0	0	109.6	E332 L336 T412 S413 H418 N419 Y420	E332-V416 HydrophobicContact CB-CG1 4.24Å; E332-V416 HydrophobicContact CB-CG2 4.02Å; E332-V416 HydrophobicContact CG-CG2 4.27Å; L336-V416 HydrophobicContact CB-CG1 4.25Å; L336-V416 HydrophobicContact CD2-CG1 4.1Å; T412-V416 HydrophobicContact CG2-CB 3.75Å; T412-V416 HydrophobicContact CG2-CG1 3.81Å; S413-V416 PolarHBondContact O-N 3.34Å; S413-V416 WeakPolarHBondContact OG-CG2 3.47Å; S413-V416 PolarHBondContact OG-N 3Å; V416-H418 PolarHBondContact O-N 3.12Å; V416-N419 PolarHBondContact O-N 3.49Å; V416-Y420 WeakPolarHBondContact O-CB 3.43Å; V416-Y420 PolarHBondContact O-N 3.46Å
417	L	95	Very high	95.5	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-57.9	-45.4	175.9	-66	171.5	0	0	0	112.6	F248 F264 L336 I409 T412 S413 R415 Y420 M421	F248-L417 HydrophobicContact CD2-CB 4.43Å; F248-L417 HydrophobicContact CD2-CD1 4.18Å; F248-L417 HydrophobicContact CE2-CB 4.01Å; F248-L417 HydrophobicContact CE2-CD1 3.85Å; F248-L417 HydrophobicContact CE2-CD2 4.34Å; F248-L417 HydrophobicContact CE2-CG 4.29Å; F264-L417 HydrophobicContact CE1-CD2 3.96Å; F264-L417 HydrophobicContact CZ-CD2 3.54Å; L336-L417 HydrophobicContact CD2-CD2 4.3Å; I409-L417 HydrophobicContact CG1-CD2 4.36Å; I409-L417 HydrophobicContact CG2-CD1 4.18Å; T412-L417 HydrophobicContact CG2-CD2 3.89Å; T412-L417 HydrophobicContact CG2-CG 3.83Å; S413-L417 PolarHBondContact O-N 3.49Å; S413-L417 VanDerWaalsContact O-N 3.16Å; R415-L417 VanDerWaalsContact C-N 3.33Å; L417-Y420 PolarHBondContact O-N 2.83Å; L417-M421 HydrophobicContact CB-CE 4.38Å; L417-M421 WeakPolarHBondContact O-CE 3.45Å; L417-M421 WeakPolarHBondContact O-CG 3.15Å; L417-M421 PolarHBondContact O-N 2.9Å
418	H	93.7	Very high	95.4	Very high	9 Å²	9	35.9 Å²	35.9	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-63.8	-48.4	176.6	-176.2	98.1	0	0	0	112	C222 G224 W237 L251 K414 R415 V416 Y420 M421 L422	C222-H418 PolarHBondContact O-CE1 3.01Å; C222-H418 VanDerWaalsContact O-CE1 3.23Å; G224-H418 PolarHBondContact O-NE2 2.96Å; W237-H418 HydrophobicContact CH2-CB 3.64Å; W237-H418 AromaticContact CH2-CD2 3.87Å; W237-H418 AromaticContact CH2-CG 3.88Å; W237-H418 HydrophobicContact CZ2-CB 3.46Å; W237-H418 VanDerWaalsContact CZ2-CB 3.46Å; W237-H418 AromaticContact CZ2-CG 3.73Å; L251-H418 HydrophobicContact CD2-CB 4.37Å; L251-H418 VanDerWaalsContact CD2-ND1 3.26Å; L251-H418 WeakPolarHBondContact CD2-ND1 3.19Å; K414-H418 WeakPolarHBondContact O-CB 3.42Å; K414-H418 PolarHBondContact O-N 3.26Å; R415-H418 PolarHBondContact O-N 3.13Å; V416-H418 PolarHBondContact O-N 3.12Å; H418-Y420 VanDerWaalsContact C-N 3.3Å; H418-Y420 PolarHBondContact O-N 2.97Å; H418-M421 PolarHBondContact O-N 2.76Å; H418-L422 WeakPolarHBondContact NE2-CD1 3.38Å; H418-L422 WeakPolarHBondContact O-CG 3.46Å; H418-L422 PolarHBondContact O-N 2.94Å
419	N	94.2	Very high	95.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-38.8	178.4	-66.5	-40.2	0	0	0	111.7	W225 K329 I333 R415 V416 W423	W225-N419 HydrophobicContact CH2-CB 4.19Å; W225-N419 HydrophobicContact CZ3-CB 4.13Å; K329-N419 PolarHBondContact NZ-ND2 3.49Å; K329-N419 PolarHBondContact NZ-OD1 3.16Å; K329-N419 VanDerWaalsContact NZ-OD1 3.16Å; I333-N419 HydrophobicContact CD1-CB 4.15Å; I333-N419 HydrophobicContact CG1-CB 4.29Å; R415-N419 PolarHBondContact O-N 3.36Å; R415-N419 VanDerWaalsContact O-N 3.07Å; R415-N419 PolarHBondContact O-ND2 2.86Å; V416-N419 PolarHBondContact O-N 3.49Å; N419-W423 VanDerWaalsContact O-CB 3.26Å; N419-W423 WeakPolarHBondContact O-CB 3.5Å; N419-W423 PolarHBondContact O-N 2.79Å
420	Y	97.4	Very high	95.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-48.2	174.8	163.9	-101.9	0	0	0	112	V263 F264 G287 I333 L336 E337 L340 V416 L417 H418 L422 W423 R424	V263-Y420 HydrophobicContact CB-CE1 4.09Å; F264-Y420 HydrophobicContact CD1-CD1 4.48Å; F264-Y420 AromaticContact CD1-CE1 3.78Å; F264-Y420 HydrophobicContact CD1-CE1 3.78Å; F264-Y420 HydrophobicContact CD2-CE1 4.14Å; F264-Y420 AromaticContact CE1-CD1 3.7Å; F264-Y420 HydrophobicContact CE1-CD1 3.7Å; F264-Y420 AromaticContact CE1-CE1 3.45Å; F264-Y420 HydrophobicContact CE1-CE1 3.45Å; F264-Y420 VanDerWaalsContact CE1-CE1 3.45Å; F264-Y420 AromaticContact CE2-CD1 3.99Å; F264-Y420 HydrophobicContact CE2-CD1 3.99Å; F264-Y420 AromaticContact CE2-CE1 3.82Å; F264-Y420 HydrophobicContact CE2-CE1 3.82Å; F264-Y420 HydrophobicContact CG-CE1 4.11Å; F264-Y420 AromaticContact CZ-CD1 3.4Å; F264-Y420 HydrophobicContact CZ-CD1 3.4Å; F264-Y420 AromaticContact CZ-CE1 3.45Å; F264-Y420 HydrophobicContact CZ-CE1 3.45Å; F264-Y420 VanDerWaalsContact CZ-CE1 3.45Å; F264-Y420 PolarHBondContact N-OH 3.23Å; G287-Y420 VanDerWaalsContact C-OH 3.31Å; G287-Y420 WeakPolarHBondContact CA-OH 3.33Å; G287-Y420 WeakPolarHBondContact O-CE2 3.38Å; G287-Y420 PolarHBondContact O-OH 3.29Å; I333-Y420 HydrophobicContact CG2-CD2 4.29Å; L336-Y420 HydrophobicContact CD2-CD1 3.97Å; L336-Y420 HydrophobicContact CD2-CD2 4.2Å; L336-Y420 HydrophobicContact CD2-CG 3.66Å; E337-Y420 HydrophobicContact CG-CD2 4.08Å; E337-Y420 HydrophobicContact CG-CE2 3.76Å; L340-Y420 HydrophobicContact CD1-CE2 4.23Å; V416-Y420 WeakPolarHBondContact O-CB 3.43Å; V416-Y420 PolarHBondContact O-N 3.46Å; L417-Y420 PolarHBondContact O-N 2.83Å; H418-Y420 VanDerWaalsContact C-N 3.3Å; H418-Y420 PolarHBondContact O-N 2.97Å; Y420-L422 VanDerWaalsContact C-N 3.32Å; Y420-L422 PolarHBondContact O-N 3.48Å; Y420-W423 WeakPolarHBondContact O-CB 3.4Å; Y420-W423 PolarHBondContact O-N 3.09Å; Y420-W423 VanDerWaalsContact O-N 3.16Å; Y420-R424 HydrophobicContact CD2-CG 4.24Å; Y420-R424 HydrophobicContact CE1-CG 4.38Å; Y420-R424 HydrophobicContact CE2-CG 3.82Å; Y420-R424 VanDerWaalsContact O-CG 3.3Å; Y420-R424 WeakPolarHBondContact O-CG 3.44Å; Y420-R424 PolarHBondContact O-N 3.5Å
421	M	97.3	Very high	95.2	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-40.5	177.8	-76.6	-173.8	-78.5	0	0	112.3	F248 L251 T255 V263 F264 L417 H418 R424 I425	F248-M421 HydrophobicContact CD2-CE 3.73Å; F248-M421 HydrophobicContact CE2-CE 3.6Å; F248-M421 HydrophobicContact CE2-SD 4.32Å; F248-M421 HydrophobicContact CZ-CE 4.25Å; F248-M421 HydrophobicContact CZ-SD 4.4Å; L251-M421 HydrophobicContact CB-CE 4.3Å; L251-M421 HydrophobicContact CB-SD 4.32Å; L251-M421 HydrophobicContact CD2-CB 4.11Å; L251-M421 HydrophobicContact CD2-CE 3.49Å; L251-M421 VanDerWaalsContact CD2-CE 3.49Å; L251-M421 HydrophobicContact CD2-SD 4.06Å; L251-M421 HydrophobicContact CG-CB 4.19Å; L251-M421 HydrophobicContact CG-CE 3.89Å; L251-M421 HydrophobicContact CG-SD 3.82Å; T255-M421 HydrophobicContact CG2-CB 3.97Å; T255-M421 HydrophobicContact CG2-CG 4.41Å; V263-M421 HydrophobicContact CB-CG 4.28Å; V263-M421 HydrophobicContact CG1-CG 4.4Å; V263-M421 HydrophobicContact CG2-CG 4.09Å; V263-M421 HydrophobicContact CG2-SD 4.42Å; F264-M421 HydrophobicContact CE2-CG 4.01Å; F264-M421 HydrophobicContact CE2-SD 4.22Å; L417-M421 HydrophobicContact CB-CE 4.38Å; L417-M421 WeakPolarHBondContact O-CE 3.45Å; L417-M421 WeakPolarHBondContact O-CG 3.15Å; L417-M421 PolarHBondContact O-N 2.9Å; H418-M421 PolarHBondContact O-N 2.76Å; M421-R424 PolarHBondContact O-N 3.2Å; M421-I425 PolarHBondContact O-N 2.93Å
422	L	95.9	Very high	95.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.5	-40.9	173.8	-66.2	-168.1	0	0	0	112.2	L219 C222 G224 W225 L251 H418 Y420 R424 I425 V426	L219-L422 HydrophobicContact CD2-CB 4.1Å; L219-L422 HydrophobicContact CD2-CD1 4.32Å; L219-L422 HydrophobicContact CD2-CD2 4.12Å; L219-L422 HydrophobicContact CD2-CG 4.41Å; C222-L422 HydrophobicContact CB-CD2 3.36Å; G224-L422 VanDerWaalsContact O-CD1 3.22Å; G224-L422 WeakPolarHBondContact O-CD1 3.42Å; W225-L422 HydrophobicContact CD2-CD1 4.45Å; W225-L422 HydrophobicContact CG-CD1 4.19Å; W225-L422 HydrophobicContact CZ2-CB 3.7Å; L251-L422 HydrophobicContact CD1-CD2 4.22Å; H418-L422 WeakPolarHBondContact NE2-CD1 3.38Å; H418-L422 WeakPolarHBondContact O-CG 3.46Å; H418-L422 PolarHBondContact O-N 2.94Å; Y420-L422 VanDerWaalsContact C-N 3.32Å; Y420-L422 PolarHBondContact O-N 3.48Å; L422-R424 VanDerWaalsContact C-N 3.27Å; L422-R424 PolarHBondContact O-N 3.12Å; L422-I425 HydrophobicContact CD2-CD1 4.47Å; L422-I425 WeakPolarHBondContact O-CB 3.33Å; L422-I425 PolarHBondContact O-N 2.97Å; L422-I425 VanDerWaalsContact O-N 3.15Å; L422-V426 WeakPolarHBondContact O-CG2 3.31Å; L422-V426 PolarHBondContact O-N 3.28Å
423	W	97.6	Very high	95.2	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-57.1	-42.6	176	167.1	-108.2	0	0	0	111.7	W225 T289 Y310 M314 L317 L318 I333 N419 Y420 I425 V426 A427	W225-W423 HydrophobicContact CH2-CB 4.5Å; T289-W423 PolarHBondContact OG1-NE1 3.28Å; Y310-W423 AromaticContact CE2-CZ2 3.7Å; Y310-W423 HydrophobicContact CE2-CZ2 3.7Å; Y310-W423 AromaticContact CZ-NE1 3.92Å; Y310-W423 PolarHBondContact OH-NE1 2.94Å; M314-W423 VanDerWaalsContact CA-CH2 3.46Å; M314-W423 HydrophobicContact CB-CH2 3.66Å; M314-W423 HydrophobicContact CB-CZ2 3.99Å; M314-W423 HydrophobicContact CB-CZ3 3.99Å; M314-W423 HydrophobicContact CE-CD2 4.1Å; M314-W423 HydrophobicContact CE-CG 4.44Å; M314-W423 HydrophobicContact CE-CZ2 3.81Å; M314-W423 HydrophobicContact CG-CD2 3.9Å; M314-W423 HydrophobicContact CG-CE3 3.67Å; M314-W423 HydrophobicContact CG-CH2 3.65Å; M314-W423 HydrophobicContact CG-CZ2 3.88Å; M314-W423 HydrophobicContact CG-CZ3 3.55Å; M314-W423 HydrophobicContact SD-CD2 4.26Å; L317-W423 HydrophobicContact CB-CZ3 4.19Å; L317-W423 HydrophobicContact CD1-CH2 4.06Å; L317-W423 HydrophobicContact CD1-CZ3 4.16Å; L318-W423 HydrophobicContact CD2-CE3 4.22Å; I333-W423 HydrophobicContact CD1-CB 3.87Å; I333-W423 HydrophobicContact CD1-CG 4.3Å; I333-W423 HydrophobicContact CG2-CB 4.34Å; I333-W423 HydrophobicContact CG2-CG 4.02Å; N419-W423 VanDerWaalsContact O-CB 3.26Å; N419-W423 WeakPolarHBondContact O-CB 3.5Å; N419-W423 PolarHBondContact O-N 2.79Å; Y420-W423 WeakPolarHBondContact O-CB 3.4Å; Y420-W423 PolarHBondContact O-N 3.09Å; Y420-W423 VanDerWaalsContact O-N 3.16Å; W423-I425 VanDerWaalsContact C-N 3.28Å; W423-I425 PolarHBondContact O-N 3.06Å; W423-V426 HydrophobicContact CE3-CB 4.25Å; W423-V426 HydrophobicContact CE3-CG1 4.14Å; W423-V426 HydrophobicContact CZ3-CG1 4.02Å; W423-V426 CarbonylContact O-C 3.52Å; W423-V426 WeakPolarHBondContact O-CA 3.35Å; W423-V426 WeakPolarHBondContact O-CB 3.44Å; W423-V426 PolarHBondContact O-N 2.95Å; W423-A427 HydrophobicContact CZ2-CB 4.2Å; W423-A427 WeakPolarHBondContact O-CB 3.5Å; W423-A427 PolarHBondContact O-N 2.97Å
424	R	97.4	Very high	95.5	Very high	25 Å²	25	20.7 Å²	20.7	9%	0.094	11%	0.106	C	C	.	.	H	α-helix	trans	-59.5	-40.1	177.6	-66.2	-71.2	-65.5	-180	-9	111.9	T261 A262 V263 E286 L288 T289 Y420 M421 L422 A428	T261-R424 HydrophobicContact CG2-CB 3.66Å; T261-R424 WeakPolarHBondContact CG2-O 3.47Å; A262-R424 PolarHBondContact O-NE 3.1Å; A262-R424 VanDerWaalsContact O-NE 3.1Å; A262-R424 PolarHBondContact O-NH2 3.11Å; A262-R424 VanDerWaalsContact O-NH2 3.13Å; V263-R424 HydrophobicContact CG1-CB 3.65Å; V263-R424 HydrophobicContact CG1-CG 3.82Å; E286-R424 IonicContact OE1-NH2 3.5Å; E286-R424 PolarHBondContact OE1-NH2 2.72Å; L288-R424 PolarHBondContact O-NH1 2.98Å; L288-R424 PolarHBondContact O-NH2 3.46Å; T289-R424 PolarHBondContact OG1-NH1 2.9Å; Y420-R424 HydrophobicContact CD2-CG 4.24Å; Y420-R424 HydrophobicContact CE1-CG 4.38Å; Y420-R424 HydrophobicContact CE2-CG 3.82Å; Y420-R424 VanDerWaalsContact O-CG 3.3Å; Y420-R424 WeakPolarHBondContact O-CG 3.44Å; Y420-R424 PolarHBondContact O-N 3.5Å; M421-R424 PolarHBondContact O-N 3.2Å; L422-R424 VanDerWaalsContact C-N 3.27Å; L422-R424 PolarHBondContact O-N 3.12Å; R424-A428 WeakPolarHBondContact O-CB 3.33Å; R424-A428 PolarHBondContact O-N 3.22Å; R424-A428 VanDerWaalsContact O-N 3.12Å
425	I	97.3	Very high	95.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.5	-44.2	173.3	-63.1	169.8	0	0	0	110.7	V218 T255 F259 M421 L422 W423 A428 L429	V218-I425 HydrophobicContact CG1-CG2 3.7Å; T255-I425 HydrophobicContact CG2-CD1 3.8Å; T255-I425 HydrophobicContact CG2-CG1 4.09Å; F259-I425 HydrophobicContact CD2-CD1 3.77Å; F259-I425 HydrophobicContact CD2-CG1 4.32Å; F259-I425 HydrophobicContact CE2-CD1 4.29Å; M421-I425 PolarHBondContact O-N 2.93Å; L422-I425 HydrophobicContact CD2-CD1 4.47Å; L422-I425 WeakPolarHBondContact O-CB 3.33Å; L422-I425 PolarHBondContact O-N 2.97Å; L422-I425 VanDerWaalsContact O-N 3.15Å; W423-I425 VanDerWaalsContact C-N 3.28Å; W423-I425 PolarHBondContact O-N 3.06Å; I425-A428 PolarHBondContact O-N 3.07Å; I425-L429 HydrophobicContact CG2-CD1 3.75Å; I425-L429 HydrophobicContact CG2-CG 4.41Å; I425-L429 WeakPolarHBondContact O-CB 3.37Å; I425-L429 PolarHBondContact O-N 3.01Å
426	V	97.4	Very high	96.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.3	-49.6	178.1	170.6	0	0	0	0	110.6	M215 L219 L317 L321 L422 W423 A428 L429 S430	M215-V426 HydrophobicContact SD-CG2 4.27Å; L219-V426 HydrophobicContact CD1-CG2 4.23Å; L219-V426 HydrophobicContact CD2-CG2 3.93Å; L317-V426 HydrophobicContact CB-CG1 4.34Å; L317-V426 HydrophobicContact CD1-CG1 4.36Å; L321-V426 HydrophobicContact CD1-CB 4.33Å; L321-V426 HydrophobicContact CD1-CG1 3.62Å; L321-V426 HydrophobicContact CD1-CG2 3.67Å; L422-V426 WeakPolarHBondContact O-CG2 3.31Å; L422-V426 PolarHBondContact O-N 3.28Å; W423-V426 HydrophobicContact CE3-CB 4.25Å; W423-V426 HydrophobicContact CE3-CG1 4.14Å; W423-V426 HydrophobicContact CZ3-CG1 4.02Å; W423-V426 CarbonylContact O-C 3.52Å; W423-V426 WeakPolarHBondContact O-CA 3.35Å; W423-V426 WeakPolarHBondContact O-CB 3.44Å; W423-V426 PolarHBondContact O-N 2.95Å; V426-A428 VanDerWaalsContact C-N 3.3Å; V426-A428 PolarHBondContact O-N 3.21Å; V426-L429 PolarHBondContact O-N 3.47Å; V426-S430 WeakPolarHBondContact CG1-OG 3.32Å; V426-S430 WeakPolarHBondContact O-CB 3.43Å; V426-S430 PolarHBondContact O-N 3.26Å; V426-S430 PolarHBondContact O-OG 3.15Å
427	A	96.4	Very high	96.3	Very high	35 Å²	35	15.3 Å²	15.3	29%	0.289	10%	0.098	S	C	.	.	H	α-helix	trans	-58.4	-42.4	178.6	0	0	0	0	0	111.5	T289 W423	T289-A427 HydrophobicContact CG2-CB 4.03Å; W423-A427 HydrophobicContact CZ2-CB 4.2Å; W423-A427 WeakPolarHBondContact O-CB 3.5Å; W423-A427 PolarHBondContact O-N 2.97Å
428	A	95.3	Very high	96.3	Very high	42 Å²	42	16 Å²	16	35%	0.347	10%	0.1	S	C	.	.	H	α-helix	trans	-71.5	-35.2	-179	0	0	0	0	0	114.2	T261 R424 I425 V426	T261-A428 HydrophobicContact CG2-CB 4.43Å; R424-A428 WeakPolarHBondContact O-CB 3.33Å; R424-A428 PolarHBondContact O-N 3.22Å; R424-A428 VanDerWaalsContact O-N 3.12Å; I425-A428 PolarHBondContact O-N 3.07Å; V426-A428 VanDerWaalsContact C-N 3.3Å; V426-A428 PolarHBondContact O-N 3.21Å
429	L	96.8	Very high	96.4	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-105.3	-10.8	-170.5	-63.2	179.1	0	0	0	114.5	M215 V218 F259 I425 V426 E431 H432 F556 L560 I563	M215-L429 HydrophobicContact CE-CB 3.49Å; M215-L429 VanDerWaalsContact CE-CB 3.49Å; M215-L429 HydrophobicContact SD-CB 4.4Å; V218-L429 HydrophobicContact CG1-CD1 4.36Å; F259-L429 HydrophobicContact CD1-CD1 4.3Å; I425-L429 HydrophobicContact CG2-CD1 3.75Å; I425-L429 HydrophobicContact CG2-CG 4.41Å; I425-L429 WeakPolarHBondContact O-CB 3.37Å; I425-L429 PolarHBondContact O-N 3.01Å; V426-L429 PolarHBondContact O-N 3.47Å; L429-E431 VanDerWaalsContact C-N 3.28Å; L429-E431 PolarHBondContact O-N 3.1Å; L429-H432 PolarHBondContact O-N 3.36Å; L429-H432 VanDerWaalsContact O-N 3.12Å; L429-F556 HydrophobicContact CB-CE2 4.18Å; L429-F556 HydrophobicContact CB-CZ 4.24Å; L429-F556 HydrophobicContact CD1-CZ 4.16Å; L429-L560 HydrophobicContact CD1-CD2 4.15Å; L429-L560 HydrophobicContact CD2-CD2 4.47Å; L429-I563 HydrophobicContact CD2-CD1 4.09Å
430	S	96.9	Very high	96.4	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-65.8	-26.5	-174.9	-70	0	0	0	0	113.9	V426 H432 L433	V426-S430 WeakPolarHBondContact CG1-OG 3.32Å; V426-S430 WeakPolarHBondContact O-CB 3.43Å; V426-S430 PolarHBondContact O-N 3.26Å; V426-S430 PolarHBondContact O-OG 3.15Å; S430-H432 PolarHBondContact O-N 3.42Å; S430-H432 VanDerWaalsContact O-N 3.15Å; S430-L433 PolarHBondContact O-N 3Å
431	E	94.4	Very high	96.3	Very high	67 Å²	67	19 Å²	19	31%	0.313	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-62.8	-19.7	175.4	60.5	163.3	169.9	0	0	112.8	L429 R438 I441 Q464 K467	L429-E431 VanDerWaalsContact C-N 3.28Å; L429-E431 PolarHBondContact O-N 3.1Å; E431-R438 WeakPolarHBondContact O-CG 3.35Å; E431-R438 PolarHBondContact O-NE 3.28Å; E431-I441 HydrophobicContact CB-CD1 4.11Å; E431-Q464 PolarHBondContact OE1-NE2 3.32Å; E431-Q464 PolarHBondContact OE2-NE2 2.81Å; E431-K467 IonicContact OE1-NZ 3.94Å
432	H	96.3	Very high	96.1	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.023	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-92.8	3.4	-177.7	-52.3	-54	0	0	0	114.5	L429 S430 Q464 Y555 F556 I559	L429-H432 PolarHBondContact O-N 3.36Å; L429-H432 VanDerWaalsContact O-N 3.12Å; S430-H432 PolarHBondContact O-N 3.42Å; S430-H432 VanDerWaalsContact O-N 3.15Å; H432-Q464 PolarHBondContact CE1-OE1 2.84Å; H432-Q464 VanDerWaalsContact CE1-OE1 3.26Å; H432-Y555 HydrophobicContact CB-CE1 3.83Å; H432-Y555 AromaticContact ND1-CZ 3.91Å; H432-Y555 PolarHBondContact ND1-OH 3.1Å; H432-Y555 VanDerWaalsContact ND1-OH 3.11Å; H432-F556 HydrophobicContact CB-CD2 3.89Å; H432-F556 HydrophobicContact CB-CE2 4.28Å; H432-I559 HydrophobicContact CB-CG1 4.4Å
433	L	96.9	Very high	95.9	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	14%	0.14	C	C	.	.	S	Bend	trans	-95.7	-165.3	-177.5	-61.8	173.1	0	0	0	112.3	I207 P214 M215 S430 F437 R438 F556	I207-L433 VanDerWaalsContact CG2-C 3.49Å; I207-L433 WeakPolarHBondContact CG2-O 3.3Å; P214-L433 HydrophobicContact CB-CD2 4.29Å; P214-L433 HydrophobicContact CG-CD2 4.49Å; M215-L433 HydrophobicContact CB-CD1 3.74Å; M215-L433 HydrophobicContact CB-CD2 4.08Å; M215-L433 HydrophobicContact CE-CD1 3.87Å; M215-L433 HydrophobicContact CG-CD1 4.3Å; S430-L433 PolarHBondContact O-N 3Å; L433-F437 HydrophobicContact CB-CB 3.83Å; L433-F437 HydrophobicContact CB-CD1 4.47Å; L433-F437 HydrophobicContact CB-CD2 3.91Å; L433-F437 HydrophobicContact CB-CG 3.82Å; L433-F437 HydrophobicContact CD1-CB 4.41Å; L433-F437 HydrophobicContact CD1-CD1 3.59Å; L433-F437 HydrophobicContact CD1-CD2 4.09Å; L433-F437 HydrophobicContact CD1-CE1 3.8Å; L433-F437 HydrophobicContact CD1-CE2 4.27Å; L433-F437 HydrophobicContact CD1-CG 3.77Å; L433-F437 HydrophobicContact CD1-CZ 4.14Å; L433-F437 HydrophobicContact CG-CG 4.48Å; L433-R438 PolarHBondContact O-NE 2.91Å; L433-F556 HydrophobicContact CD2-CD2 3.7Å; L433-F556 HydrophobicContact CD2-CE2 3.59Å; L433-F556 HydrophobicContact CD2-CZ 4.37Å; L433-F556 HydrophobicContact CG-CD2 4.48Å; L433-F556 HydrophobicContact CG-CE2 4.2Å
434	S	96.8	Very high	95.7	Very high	10 Å²	10	25 Å²	25	7%	0.07	15%	0.146	C	C	.	.			trans	-61.6	165.9	-178.9	66.8	0	0	0	0	113.8	D208 A436 F437 R438	D208-S434 WeakPolarHBondContact OD1-CA 3.34Å; D208-S434 VanDerWaalsContact OD1-CB 3.31Å; D208-S434 WeakPolarHBondContact OD1-CB 3.09Å; S434-A436 PolarHBondContact O-N 3.35Å; S434-A436 VanDerWaalsContact O-N 3.09Å; S434-F437 PolarHBondContact O-N 2.87Å; S434-F437 WeakPolarHBondContact OG-CD2 3.46Å; S434-R438 PolarHBondContact O-N 3.11Å; S434-R438 VanDerWaalsContact O-N 3.16Å
435	T	96.2	Very high	95.3	Very high	57 Å²	57	25.3 Å²	25.3	35%	0.35	15%	0.152	S	C	.	.	H	α-helix	trans	-51.1	-35.6	179.7	-58.1	0	0	0	0	112.8	I204 D208 F437 R438 S439	I204-T435 WeakPolarHBondContact CG1-OG1 3.41Å; D208-T435 WeakPolarHBondContact OD1-CB 3.5Å; D208-T435 PolarHBondContact OD1-N 3.03Å; D208-T435 PolarHBondContact OD1-OG1 3.43Å; D208-T435 PolarHBondContact OD2-OG1 2.93Å; D208-T435 VanDerWaalsContact OD2-OG1 3.09Å; T435-F437 PolarHBondContact O-N 3.12Å; T435-R438 PolarHBondContact O-N 2.97Å; T435-S439 VanDerWaalsContact O-CB 3.26Å; T435-S439 WeakPolarHBondContact O-CB 3.28Å; T435-S439 PolarHBondContact O-N 2.97Å; T435-S439 PolarHBondContact O-OG 3.29Å
436	A	96.7	Very high	95	Very high	52 Å²	52	30.4 Å²	30.4	43%	0.43	17%	0.171	S	C	.	.	H	α-helix	trans	-63.3	-40.8	178	0	0	0	0	0	112.7	M320 S434 T440	M320-A436 HydrophobicContact CE-CB 3.7Å; S434-A436 PolarHBondContact O-N 3.35Å; S434-A436 VanDerWaalsContact O-N 3.09Å; A436-T440 WeakPolarHBondContact O-CB 3.41Å; A436-T440 PolarHBondContact O-N 3.46Å; A436-T440 VanDerWaalsContact O-N 3.13Å; A436-T440 PolarHBondContact O-OG1 3.26Å
437	F	97.1	Very high	94.6	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.022	18%	0.184	C	C	.	.	H	α-helix	trans	-70.1	-47.9	177.6	-76.6	-95.7	0	0	0	110.6	L317 M320 L321 L433 S434 T435 S439 T440 I441	L317-F437 HydrophobicContact CD2-CD1 3.65Å; L317-F437 HydrophobicContact CD2-CE1 4.15Å; M320-F437 HydrophobicContact CB-CE1 4.19Å; M320-F437 HydrophobicContact CB-CZ 3.91Å; M320-F437 HydrophobicContact CE-CB 4.45Å; M320-F437 HydrophobicContact CE-CD1 4.03Å; M320-F437 HydrophobicContact CE-CD2 3.57Å; M320-F437 HydrophobicContact CE-CE1 4.08Å; M320-F437 HydrophobicContact CE-CE2 3.64Å; M320-F437 HydrophobicContact CE-CG 3.76Å; M320-F437 HydrophobicContact CE-CZ 3.89Å; L321-F437 HydrophobicContact CD1-CE1 4.38Å; L321-F437 HydrophobicContact CD2-CE1 3.81Å; L321-F437 HydrophobicContact CD2-CZ 3.72Å; L321-F437 HydrophobicContact CG-CE1 3.89Å; L321-F437 HydrophobicContact CG-CZ 4.09Å; L433-F437 HydrophobicContact CB-CB 3.83Å; L433-F437 HydrophobicContact CB-CD1 4.47Å; L433-F437 HydrophobicContact CB-CD2 3.91Å; L433-F437 HydrophobicContact CB-CG 3.82Å; L433-F437 HydrophobicContact CD1-CB 4.41Å; L433-F437 HydrophobicContact CD1-CD1 3.59Å; L433-F437 HydrophobicContact CD1-CD2 4.09Å; L433-F437 HydrophobicContact CD1-CE1 3.8Å; L433-F437 HydrophobicContact CD1-CE2 4.27Å; L433-F437 HydrophobicContact CD1-CG 3.77Å; L433-F437 HydrophobicContact CD1-CZ 4.14Å; L433-F437 HydrophobicContact CG-CG 4.48Å; S434-F437 PolarHBondContact O-N 2.87Å; S434-F437 WeakPolarHBondContact OG-CD2 3.46Å; T435-F437 PolarHBondContact O-N 3.12Å; F437-S439 VanDerWaalsContact C-N 3.3Å; F437-S439 PolarHBondContact O-N 3.46Å; F437-T440 WeakPolarHBondContact O-CB 3.49Å; F437-T440 PolarHBondContact O-N 3.05Å; F437-T440 VanDerWaalsContact O-N 3.15Å; F437-I441 WeakPolarHBondContact O-CG1 3.42Å; F437-I441 PolarHBondContact O-N 3.11Å
438	R	94.9	Very high	94.2	Very high	18 Å²	18	32.3 Å²	32.3	7%	0.068	17%	0.174	C	C	.	.	H	α-helix	trans	-58.5	-41.7	177.3	-67.2	-178.7	176.7	178.3	5.2	112.4	E431 L433 S434 T435 I441 H442 L457	E431-R438 WeakPolarHBondContact O-CG 3.35Å; E431-R438 PolarHBondContact O-NE 3.28Å; L433-R438 PolarHBondContact O-NE 2.91Å; S434-R438 PolarHBondContact O-N 3.11Å; S434-R438 VanDerWaalsContact O-N 3.16Å; T435-R438 PolarHBondContact O-N 2.97Å; R438-I441 PolarHBondContact O-N 3.49Å; R438-H442 WeakPolarHBondContact O-CB 3.34Å; R438-H442 PolarHBondContact O-N 3.11Å; R438-L457 VanDerWaalsContact NH1-CD1 3.3Å
439	S	94.6	Very high	93.7	Very high	29 Å²	29	31.6 Å²	31.6	20%	0.203	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-39	177.6	-56.7	0	0	0	0	112.3	T435 F437 I441 H442 E443 Q454	T435-S439 VanDerWaalsContact O-CB 3.26Å; T435-S439 WeakPolarHBondContact O-CB 3.28Å; T435-S439 PolarHBondContact O-N 2.97Å; T435-S439 PolarHBondContact O-OG 3.29Å; F437-S439 VanDerWaalsContact C-N 3.3Å; F437-S439 PolarHBondContact O-N 3.46Å; S439-I441 VanDerWaalsContact C-N 3.35Å; S439-I441 PolarHBondContact O-N 3.06Å; S439-H442 PolarHBondContact O-N 3.09Å; S439-E443 WeakPolarHBondContact O-CG 3.46Å; S439-E443 PolarHBondContact O-N 2.93Å; S439-Q454 VanDerWaalsContact CA-NE2 3.34Å; S439-Q454 PolarHBondContact OG-NE2 3.07Å
440	T	95.6	Very high	93.2	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-40.4	175.8	-58.1	0	0	0	0	111.6	L313 R316 L317 A436 F437 E443 F444	L313-T440 HydrophobicContact CD1-CG2 3.83Å; R316-T440 HydrophobicContact CB-CG2 3.99Å; R316-T440 HydrophobicContact CG-CG2 3.68Å; R316-T440 PolarHBondContact NE-OG1 2.91Å; R316-T440 VanDerWaalsContact NE-OG1 3.12Å; R316-T440 PolarHBondContact NH2-OG1 3.14Å; L317-T440 HydrophobicContact CD2-CG2 4.01Å; L317-T440 HydrophobicContact CG-CG2 4.27Å; A436-T440 WeakPolarHBondContact O-CB 3.41Å; A436-T440 PolarHBondContact O-N 3.46Å; A436-T440 VanDerWaalsContact O-N 3.13Å; A436-T440 PolarHBondContact O-OG1 3.26Å; F437-T440 WeakPolarHBondContact O-CB 3.49Å; F437-T440 PolarHBondContact O-N 3.05Å; F437-T440 VanDerWaalsContact O-N 3.15Å; T440-E443 PolarHBondContact O-N 3.37Å; T440-F444 PolarHBondContact O-N 3.47Å
441	I	94.3	Very high	92.8	Very high	40 Å²	40	32.2 Å²	32.2	21%	0.205	17%	0.17	C	C	.	.	H	α-helix	trans	-66.2	-43.5	174.7	-64.8	163	0	0	0	110.6	L313 E431 F437 R438 S439 E443 F444 S445	L313-I441 HydrophobicContact CD1-CG1 4.43Å; E431-I441 HydrophobicContact CB-CD1 4.11Å; F437-I441 WeakPolarHBondContact O-CG1 3.42Å; F437-I441 PolarHBondContact O-N 3.11Å; R438-I441 PolarHBondContact O-N 3.49Å; S439-I441 VanDerWaalsContact C-N 3.35Å; S439-I441 PolarHBondContact O-N 3.06Å; I441-E443 VanDerWaalsContact C-N 3.32Å; I441-E443 PolarHBondContact O-N 2.79Å; I441-F444 WeakPolarHBondContact O-CA 3.36Å; I441-F444 WeakPolarHBondContact O-CB 3.44Å; I441-F444 PolarHBondContact O-N 3.27Å; I441-F444 VanDerWaalsContact O-N 3.07Å; I441-S445 PolarHBondContact O-N 2.99Å; I441-S445 PolarHBondContact O-OG 3.5Å
442	H	92.8	Very high	92.5	Very high	29 Å²	29	32.1 Å²	32.1	13%	0.134	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-36.9	178.3	175.4	64.9	0	0	0	112.9	R438 S439 F444 S445 R446 Q453 Q454	R438-H442 WeakPolarHBondContact O-CB 3.34Å; R438-H442 PolarHBondContact O-N 3.11Å; S439-H442 PolarHBondContact O-N 3.09Å; H442-F444 PolarHBondContact O-N 3.09Å; H442-S445 WeakPolarHBondContact O-CB 3.33Å; H442-S445 PolarHBondContact O-N 2.94Å; H442-S445 VanDerWaalsContact O-N 3.15Å; H442-R446 PolarHBondContact O-N 2.87Å; H442-Q453 PolarHBondContact CE1-O 2.85Å; H442-Q454 HydrophobicContact CB-CG 3.71Å; H442-Q454 WeakPolarHBondContact CD2-CG 3.36Å; H442-Q454 PolarHBondContact NE2-N 3.15Å
443	E	92.3	Very high	92.2	Very high	70 Å²	70	36.9 Å²	36.9	33%	0.327	19%	0.191	S	C	.	.	H	α-helix	trans	-56.9	-37.5	172.9	-74.4	171.3	-142.9	0	0	111.6	R316 S439 T440 I441	R316-E443 IonicContact CZ-OE1 3.95Å; R316-E443 IonicContact CZ-OE2 3.26Å; R316-E443 VanDerWaalsContact NH1-CD 3.33Å; R316-E443 IonicContact NH1-OE1 3.98Å; R316-E443 PolarHBondContact NH1-OE1 2.72Å; R316-E443 IonicContact NH1-OE2 3.94Å; R316-E443 PolarHBondContact NH1-OE2 3.03Å; R316-E443 IonicContact NH2-OE1 3.4Å; R316-E443 PolarHBondContact NH2-OE1 3.27Å; R316-E443 IonicContact NH2-OE2 3.24Å; S439-E443 WeakPolarHBondContact O-CG 3.46Å; S439-E443 PolarHBondContact O-N 2.93Å; T440-E443 PolarHBondContact O-N 3.37Å; I441-E443 VanDerWaalsContact C-N 3.32Å; I441-E443 PolarHBondContact O-N 2.79Å
444	F	93.5	Very high	91.9	Very high	31 Å²	31	40.6 Å²	40.6	14%	0.136	21%	0.209	C	C	.	.	H	α-helix	trans	-72.4	-44.7	172.1	172.3	-106	0	0	0	112.6	L290 A309 L313 T440 I441 H442 R446 E447 I448	L290-F444 HydrophobicContact CD2-CE2 4.42Å; L290-F444 HydrophobicContact CD2-CZ 3.67Å; A309-F444 HydrophobicContact CB-CD2 3.91Å; A309-F444 HydrophobicContact CB-CE2 4.18Å; L313-F444 HydrophobicContact CB-CB 4.15Å; L313-F444 HydrophobicContact CB-CD2 4.41Å; L313-F444 HydrophobicContact CB-CG 4.32Å; L313-F444 HydrophobicContact CD1-CB 4.28Å; L313-F444 HydrophobicContact CD2-CB 3.87Å; L313-F444 HydrophobicContact CD2-CD1 3.67Å; L313-F444 HydrophobicContact CD2-CD2 4.29Å; L313-F444 HydrophobicContact CD2-CE1 4.3Å; L313-F444 HydrophobicContact CD2-CG 3.66Å; L313-F444 HydrophobicContact CG-CB 4.31Å; L313-F444 HydrophobicContact CG-CG 4.49Å; T440-F444 PolarHBondContact O-N 3.47Å; I441-F444 WeakPolarHBondContact O-CA 3.36Å; I441-F444 WeakPolarHBondContact O-CB 3.44Å; I441-F444 PolarHBondContact O-N 3.27Å; I441-F444 VanDerWaalsContact O-N 3.07Å; H442-F444 PolarHBondContact O-N 3.09Å; F444-R446 VanDerWaalsContact C-N 3.26Å; F444-R446 PolarHBondContact O-N 3.47Å; F444-E447 PolarHBondContact O-N 3.03Å; F444-I448 HydrophobicContact CE1-CD1 4.5Å; F444-I448 HydrophobicContact CE1-CG2 4.36Å; F444-I448 HydrophobicContact CZ-CD1 4.16Å; F444-I448 PolarHBondContact O-N 3.47Å
445	S	90.1	Very high	91.5	Very high	32 Å²	32	42.6 Å²	42.6	22%	0.224	22%	0.218	C	C	.	.	H	α-helix	trans	-52.1	-45.7	175.1	-64.2	0	0	0	0	111.4	I441 H442 E447 I448 D449	I441-S445 PolarHBondContact O-N 2.99Å; I441-S445 PolarHBondContact O-OG 3.5Å; H442-S445 WeakPolarHBondContact O-CB 3.33Å; H442-S445 PolarHBondContact O-N 2.94Å; H442-S445 VanDerWaalsContact O-N 3.15Å; S445-E447 PolarHBondContact O-N 3.29Å; S445-I448 VanDerWaalsContact O-CG2 3.25Å; S445-I448 WeakPolarHBondContact O-CG2 3.37Å; S445-I448 PolarHBondContact O-N 3.29Å; S445-D449 PolarHBondContact O-N 3.23Å
446	R	89.9	Confident	91.4	Very high	107 Å²	107	44.8 Å²	44.8	40%	0.404	23%	0.225	S	C	.	.	H	α-helix	trans	-55.5	-36.7	176.7	-177.9	175.7	71.2	-163.5	-2.7	113.3	H442 F444 G450 T451	H442-R446 PolarHBondContact O-N 2.87Å; F444-R446 VanDerWaalsContact C-N 3.26Å; F444-R446 PolarHBondContact O-N 3.47Å; R446-G450 WeakPolarHBondContact O-CA 3.37Å; R446-G450 PolarHBondContact O-N 2.73Å; R446-G450 VanDerWaalsContact O-N 3.11Å; R446-T451 WeakPolarHBondContact CA-O 3.49Å; R446-T451 WeakPolarHBondContact CB-O 3.38Å; R446-T451 WeakPolarHBondContact CG-O 3.48Å
447	E	88.3	Confident	91.3	Very high	58 Å²	58	44.6 Å²	44.6	27%	0.271	22%	0.216	S	C	.	.	H	α-helix	trans	-75.1	-32.9	178.8	-63.6	-54.9	143.9	0	0	112.9	K305 A309 F444 S445	K305-E447 WeakPolarHBondContact CE-OE2 3.4Å; K305-E447 IonicContact NZ-OE2 3.23Å; K305-E447 PolarHBondContact NZ-OE2 2.82Å; A309-E447 HydrophobicContact CB-CB 3.99Å; A309-E447 HydrophobicContact CB-CG 4.16Å; F444-E447 PolarHBondContact O-N 3.03Å; S445-E447 PolarHBondContact O-N 3.29Å
448	I	87.8	Confident	91.3	Very high	16 Å²	16	44.6 Å²	44.6	8%	0.082	22%	0.217	C	C	.	.	H	α-helix	trans	-89.6	-36.4	-176.8	-167.2	171.3	0	0	0	113.6	I306 F444 S445 Q746 L750	I306-I448 HydrophobicContact CD1-CG1 4.17Å; I306-I448 HydrophobicContact CG1-CG1 4.38Å; I306-I448 HydrophobicContact CG2-CD1 4.19Å; I306-I448 HydrophobicContact CG2-CG1 4.4Å; F444-I448 HydrophobicContact CE1-CD1 4.5Å; F444-I448 HydrophobicContact CE1-CG2 4.36Å; F444-I448 HydrophobicContact CZ-CD1 4.16Å; F444-I448 PolarHBondContact O-N 3.47Å; S445-I448 VanDerWaalsContact O-CG2 3.25Å; S445-I448 WeakPolarHBondContact O-CG2 3.37Å; S445-I448 PolarHBondContact O-N 3.29Å; I448-Q746 CarbonylContact O-C 3.5Å; I448-L750 HydrophobicContact CD1-CD2 4.34Å; I448-L750 HydrophobicContact CG1-CD2 4.23Å
449	D	85.7	Confident	91.3	Very high	28 Å²	28	45.7 Å²	45.7	15%	0.15	22%	0.221	C	C	.	.	H	α-helix	trans	-116.9	-11.9	-175.1	68.9	26.5	0	0	0	114.2	L158 S445 T451	L158-D449 HydrophobicContact CB-CB 4.16Å; L158-D449 HydrophobicContact CD2-CB 4.49Å; S445-D449 PolarHBondContact O-N 3.23Å; D449-T451 VanDerWaalsContact OD1-CB 3.23Å; D449-T451 WeakPolarHBondContact OD1-CB 3.26Å; D449-T451 WeakPolarHBondContact OD1-CG2 3.46Å; D449-T451 PolarHBondContact OD1-N 3.38Å; D449-T451 PolarHBondContact OD1-OG1 3.26Å
450	G	86.5	Confident	91.3	Very high	4 Å²	4	46.3 Å²	46.3	4%	0.041	22%	0.223	C	C	.	.			trans	84.1	6.2	177.9	0	0	0	0	0	115.6	R446 E452 R744	R446-G450 WeakPolarHBondContact O-CA 3.37Å; R446-G450 PolarHBondContact O-N 2.73Å; R446-G450 VanDerWaalsContact O-N 3.11Å; G450-E452 PolarHBondContact O-N 3.23Å; G450-R744 WeakPolarHBondContact O-CD 3.32Å; G450-R744 PolarHBondContact O-NE 3.44Å; G450-R744 PolarHBondContact O-NH1 3.01Å
451	T	87.3	Confident	91.4	Very high	13 Å²	13	46.1 Å²	46.1	8%	0.08	22%	0.221	C	C	.	.			trans	-63.5	120	179.4	49.7	0	0	0	0	112	L158 R446 D449	L158-T451 HydrophobicContact CB-CG2 4.24Å; R446-T451 WeakPolarHBondContact CA-O 3.49Å; R446-T451 WeakPolarHBondContact CB-O 3.38Å; R446-T451 WeakPolarHBondContact CG-O 3.48Å; D449-T451 VanDerWaalsContact OD1-CB 3.23Å; D449-T451 WeakPolarHBondContact OD1-CB 3.26Å; D449-T451 WeakPolarHBondContact OD1-CG2 3.46Å; D449-T451 PolarHBondContact OD1-N 3.38Å; D449-T451 PolarHBondContact OD1-OG1 3.26Å
452	E	88.1	Confident	91.5	Very high	65 Å²	65	44.5 Å²	44.5	30%	0.304	21%	0.213	S	C	.	.			trans	-84.3	-30	-173.7	-67.6	179.5	-152.7	0	0	112.8	K18 E155 G450 R744	K18-E452 IonicContact NZ-OE1 2.93Å; K18-E452 PolarHBondContact NZ-OE1 3.44Å; K18-E452 IonicContact NZ-OE2 3.63Å; K18-E452 PolarHBondContact NZ-OE2 2.93Å; E155-E452 HydrophobicContact CB-CB 4.1Å; E155-E452 HydrophobicContact CG-CB 4.49Å; E155-E452 WeakPolarHBondContact O-CA 3.29Å; E155-E452 PolarHBondContact O-N 2.77Å; G450-E452 PolarHBondContact O-N 3.23Å; E452-R744 IonicContact OE1-CZ 2.63Å; E452-R744 IonicContact OE1-NH1 3.92Å; E452-R744 PolarHBondContact OE1-NH1 3.36Å; E452-R744 IonicContact OE1-NH2 2.76Å
453	Q	91.1	Very high	91.7	Very high	104 Å²	104	46.6 Å²	46.6	49%	0.486	23%	0.228	S	C	.	.	S	Bend	trans	-125.2	155.2	178.9	-72.2	-169.1	7	0	0	112.2	E155 D156 H442	E155-Q453 HydrophobicContact CB-CB 4.04Å; E155-Q453 HydrophobicContact CB-CG 3.79Å; E155-Q453 PolarHBondContact O-N 2.91Å; E155-Q453 WeakPolarHBondContact OE2-CG 3.3Å; E155-Q453 PolarHBondContact OE2-NE2 3.46Å; D156-Q453 WeakPolarHBondContact CA-O 3.37Å; D156-Q453 HydrophobicContact CB-CB 4.46Å; H442-Q453 PolarHBondContact CE1-O 2.85Å
454	Q	89.6	Confident	91.9	Very high	81 Å²	81	43.7 Å²	43.7	38%	0.379	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-71.8	145	170.3	-70.1	179.4	25.7	0	0	110.5	S439 H442	S439-Q454 VanDerWaalsContact CA-NE2 3.34Å; S439-Q454 PolarHBondContact OG-NE2 3.07Å; H442-Q454 HydrophobicContact CB-CG 3.71Å; H442-Q454 WeakPolarHBondContact CD2-CG 3.36Å; H442-Q454 PolarHBondContact NE2-N 3.15Å
455	L	90.1	Very high	92.1	Very high	51 Å²	51	42.2 Å²	42.2	27%	0.267	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-58	140.1	168.9	-172	63.8	0	0	0	110.4	D156 L457 R459 L460	D156-L455 WeakPolarHBondContact OD2-CD1 3.38Å; L455-L457 PolarHBondContact O-N 3.2Å; L455-R459 HydrophobicContact CD1-CB 3.79Å; L455-R459 HydrophobicContact CD1-CG 4.46Å; L455-R459 HydrophobicContact CD2-CB 3.83Å; L455-R459 HydrophobicContact CG-CB 3.65Å; L455-L460 HydrophobicContact CD2-CB 4.31Å
456	E	94.1	Very high	92.3	Very high	103 Å²	103	43.3 Å²	43.3	48%	0.481	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-52.1	137.9	174.6	-172.3	-78.4	131.9	0	0	110.7	G458 R459 L460	E456-G458 VanDerWaalsContact C-N 3.31Å; E456-G458 PolarHBondContact O-N 3.15Å; E456-G458 PolarHBondContact OE1-N 3.39Å; E456-G458 WeakPolarHBondContact OE2-CA 3.15Å; E456-G458 PolarHBondContact OE2-N 3.18Å; E456-R459 HydrophobicContact CB-CG 4.48Å; E456-R459 WeakPolarHBondContact O-CA 3.38Å; E456-R459 WeakPolarHBondContact O-CB 3.14Å; E456-R459 PolarHBondContact O-N 3.36Å; E456-R459 PolarHBondContact OE2-N 2.85Å; E456-L460 PolarHBondContact O-N 3.42Å
457	L	93.8	Very high	92.6	Very high	49 Å²	49	44.5 Å²	44.5	26%	0.257	22%	0.219	S	C	.	.	H	α-helix	trans	-56.7	-42.4	-170	177.6	63.2	0	0	0	112.8	I202 I204 R438 L455 L460 C461	I202-L457 WeakPolarHBondContact O-CD2 3.39Å; I204-L457 HydrophobicContact CB-CD2 3.92Å; I204-L457 HydrophobicContact CG2-CD2 4.28Å; R438-L457 VanDerWaalsContact NH1-CD1 3.3Å; L455-L457 PolarHBondContact O-N 3.2Å; L457-L460 PolarHBondContact O-N 3.31Å; L457-C461 VanDerWaalsContact O-CB 3.29Å; L457-C461 WeakPolarHBondContact O-CB 3.31Å; L457-C461 PolarHBondContact O-N 3.27Å; L457-C461 PolarHBondContact O-SG 3.1Å
458	G	96.3	Very high	93	Very high	4 Å²	4	42.3 Å²	42.3	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-42.3	173.4	0	0	0	0	0	112.6	Q175 Y198 E456 C461 L462	Q175-G458 PolarHBondContact NE2-O 3.33Å; Y198-G458 WeakPolarHBondContact CE2-O 3.25Å; Y198-G458 VanDerWaalsContact OH-CA 3.32Å; Y198-G458 WeakPolarHBondContact OH-CA 3.3Å; Y198-G458 PolarHBondContact OH-O 2.9Å; E456-G458 VanDerWaalsContact C-N 3.31Å; E456-G458 PolarHBondContact O-N 3.15Å; E456-G458 PolarHBondContact OE1-N 3.39Å; E456-G458 WeakPolarHBondContact OE2-CA 3.15Å; E456-G458 PolarHBondContact OE2-N 3.18Å; G458-C461 PolarHBondContact O-N 2.78Å; G458-L462 WeakPolarHBondContact O-CB 3.37Å; G458-L462 PolarHBondContact O-N 3.31Å
459	R	95.4	Very high	93.4	Very high	41 Å²	41	41.6 Å²	41.6	16%	0.155	21%	0.205	C	C	.	.	H	α-helix	trans	-68.6	-40.4	177	-70.9	-176.4	178.5	-171.7	-11.2	111.8	D156 E168 L455 E456 C461 L462 T463	D156-R459 IonicContact OD2-NH1 2.62Å; E168-R459 IonicContact OE1-CZ 3.92Å; E168-R459 IonicContact OE1-NH1 3.84Å; E168-R459 PolarHBondContact OE1-NH1 3.3Å; E168-R459 IonicContact OE1-NH2 3.56Å; L455-R459 HydrophobicContact CD1-CB 3.79Å; L455-R459 HydrophobicContact CD1-CG 4.46Å; L455-R459 HydrophobicContact CD2-CB 3.83Å; L455-R459 HydrophobicContact CG-CB 3.65Å; E456-R459 HydrophobicContact CB-CG 4.48Å; E456-R459 WeakPolarHBondContact O-CA 3.38Å; E456-R459 WeakPolarHBondContact O-CB 3.14Å; E456-R459 PolarHBondContact O-N 3.36Å; E456-R459 PolarHBondContact OE2-N 2.85Å; R459-C461 PolarHBondContact O-N 2.86Å; R459-L462 WeakPolarHBondContact O-CB 3.02Å; R459-L462 PolarHBondContact O-N 2.84Å; R459-T463 PolarHBondContact O-N 2.92Å; R459-T463 PolarHBondContact O-OG1 3.25Å; R459-T463 VanDerWaalsContact O-OG1 3.1Å
460	L	94.6	Very high	93.9	Very high	43 Å²	43	40.7 Å²	40.7	23%	0.225	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-46.6	172.5	-176.6	150.3	0	0	0	111	L455 E456 L457 L462 T463 Q464	L455-L460 HydrophobicContact CD2-CB 4.31Å; E456-L460 PolarHBondContact O-N 3.42Å; L457-L460 PolarHBondContact O-N 3.31Å; L460-L462 VanDerWaalsContact C-N 3.33Å; L460-L462 PolarHBondContact O-N 3.48Å; L460-T463 WeakPolarHBondContact O-CB 2.98Å; L460-T463 PolarHBondContact O-N 3.32Å; L460-Q464 WeakPolarHBondContact O-CG 3.49Å; L460-Q464 PolarHBondContact O-N 2.65Å; L460-Q464 VanDerWaalsContact O-N 3.15Å
461	C	97.3	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68.4	-30.6	177.9	-71.9	0	0	0	0	113.4	Y198 C201 I202 L457 G458 R459 Q464 A465	Y198-C461 HydrophobicContact CD2-CB 3.83Å; Y198-C461 HydrophobicContact CE2-CB 3.7Å; C201-C461 HydrophobicContact CB-CB 3.61Å; C201-C461 WeakPolarHBondContact CB-SG 3.35Å; C201-C461 PolarHBondContact O-SG 3.04Å; C201-C461 VanDerWaalsContact O-SG 3.4Å; C201-C461 WeakPolarHBondContact SG-CA 3.46Å; C201-C461 WeakPolarHBondContact SG-CB 3.37Å; C201-C461 CovalentContact SG-SG 2.04Å; C201-C461 PolarHBondContact SG-SG 3.43Å; I202-C461 HydrophobicContact CG2-CB 3.75Å; I202-C461 PolarHBondContact N-SG 2.85Å; I202-C461 VanDerWaalsContact N-SG 3.44Å; L457-C461 VanDerWaalsContact O-CB 3.29Å; L457-C461 WeakPolarHBondContact O-CB 3.31Å; L457-C461 PolarHBondContact O-N 3.27Å; L457-C461 PolarHBondContact O-SG 3.1Å; G458-C461 PolarHBondContact O-N 2.78Å; R459-C461 PolarHBondContact O-N 2.86Å; C461-Q464 PolarHBondContact O-N 3.04Å; C461-A465 WeakPolarHBondContact O-CB 3.49Å; C461-A465 PolarHBondContact O-N 3.16Å
462	L	97.7	Very high	94.8	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-43.8	170.4	170.7	63.1	0	0	0	110.7	E171 L174 Q175 L178 Y198 G458 R459 L460 Q464 A465 N466 L473	E171-L462 HydrophobicContact CB-CD2 3.74Å; E171-L462 HydrophobicContact CG-CD2 3.84Å; E171-L462 WeakPolarHBondContact O-CD2 3.15Å; L174-L462 HydrophobicContact CB-CD1 3.74Å; L174-L462 HydrophobicContact CB-CD2 3.94Å; L174-L462 HydrophobicContact CD1-CD1 4.34Å; L174-L462 HydrophobicContact CD1-CD2 4.39Å; Q175-L462 HydrophobicContact CG-CB 4.38Å; Q175-L462 HydrophobicContact CG-CD2 3.93Å; L178-L462 HydrophobicContact CD1-CD1 3.63Å; Y198-L462 HydrophobicContact CE2-CB 4.37Å; G458-L462 WeakPolarHBondContact O-CB 3.37Å; G458-L462 PolarHBondContact O-N 3.31Å; R459-L462 WeakPolarHBondContact O-CB 3.02Å; R459-L462 PolarHBondContact O-N 2.84Å; L460-L462 VanDerWaalsContact C-N 3.33Å; L460-L462 PolarHBondContact O-N 3.48Å; L462-Q464 VanDerWaalsContact C-N 3.26Å; L462-Q464 PolarHBondContact O-N 3.29Å; L462-A465 CarbonylContact O-C 3.56Å; L462-A465 PolarHBondContact O-N 3.18Å; L462-A465 VanDerWaalsContact O-N 3.15Å; L462-N466 WeakPolarHBondContact O-CB 3.47Å; L462-N466 PolarHBondContact O-N 3.24Å; L462-L473 HydrophobicContact CD1-CD1 4.03Å
463	T	95.8	Very high	95.2	Very high	73 Å²	73	38.5 Å²	38.5	45%	0.448	19%	0.191	S	C	.	.	H	α-helix	trans	-56.3	-44.1	176.4	-59.5	0	0	0	0	110.9	R459 L460 N466 K467	R459-T463 PolarHBondContact O-N 2.92Å; R459-T463 PolarHBondContact O-OG1 3.25Å; R459-T463 VanDerWaalsContact O-OG1 3.1Å; L460-T463 WeakPolarHBondContact O-CB 2.98Å; L460-T463 PolarHBondContact O-N 3.32Å; T463-N466 WeakPolarHBondContact O-CB 3.09Å; T463-N466 PolarHBondContact O-N 2.94Å; T463-K467 PolarHBondContact O-N 3.25Å
464	Q	96.8	Very high	95.4	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-68.2	-40.7	176.9	-63.2	-63.7	-21.6	0	0	112.3	F197 E431 H432 L460 C461 L462 N466 K467 H468 Y555	F197-Q464 HydrophobicContact CE1-CB 4.1Å; F197-Q464 HydrophobicContact CZ-CB 4.39Å; E431-Q464 PolarHBondContact OE1-NE2 3.32Å; E431-Q464 PolarHBondContact OE2-NE2 2.81Å; H432-Q464 PolarHBondContact CE1-OE1 2.84Å; H432-Q464 VanDerWaalsContact CE1-OE1 3.26Å; L460-Q464 WeakPolarHBondContact O-CG 3.49Å; L460-Q464 PolarHBondContact O-N 2.65Å; L460-Q464 VanDerWaalsContact O-N 3.15Å; C461-Q464 PolarHBondContact O-N 3.04Å; L462-Q464 VanDerWaalsContact C-N 3.26Å; L462-Q464 PolarHBondContact O-N 3.29Å; Q464-N466 VanDerWaalsContact C-N 3.28Å; Q464-N466 PolarHBondContact O-N 2.9Å; Q464-K467 PolarHBondContact O-N 2.68Å; Q464-H468 PolarHBondContact O-CD2 3.25Å; Q464-H468 VanDerWaalsContact O-CD2 3.27Å; Q464-H468 PolarHBondContact O-N 2.84Å; Q464-H468 VanDerWaalsContact O-N 3.12Å; Q464-Y555 WeakPolarHBondContact CG-OH 3.41Å
465	A	97.5	Very high	95.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62	-38.4	173.7	0	0	0	0	0	111.2	V194 F197 C461 L462 H468 F469 L473	V194-A465 HydrophobicContact CG2-CB 4.3Å; F197-A465 HydrophobicContact CD1-CB 4.03Å; F197-A465 HydrophobicContact CE1-CB 4.26Å; C461-A465 WeakPolarHBondContact O-CB 3.49Å; C461-A465 PolarHBondContact O-N 3.16Å; L462-A465 CarbonylContact O-C 3.56Å; L462-A465 PolarHBondContact O-N 3.18Å; L462-A465 VanDerWaalsContact O-N 3.15Å; A465-H468 PolarHBondContact O-N 2.93Å; A465-F469 CarbonylContact O-C 3.49Å; A465-F469 VanDerWaalsContact O-CA 3.32Å; A465-F469 WeakPolarHBondContact O-CA 3.26Å; A465-F469 VanDerWaalsContact O-CB 3.29Å; A465-F469 WeakPolarHBondContact O-CB 3.37Å; A465-F469 PolarHBondContact O-N 2.88Å; A465-L473 HydrophobicContact CB-CD1 4.16Å
466	N	95.7	Very high	96.1	Very high	55 Å²	55	28.8 Å²	28.8	29%	0.294	15%	0.146	S	C	.	.	H	α-helix	trans	-66.7	-39.8	177.1	-163.2	45.7	0	0	0	112.5	L462 T463 Q464 G470 L473 Q588	L462-N466 WeakPolarHBondContact O-CB 3.47Å; L462-N466 PolarHBondContact O-N 3.24Å; T463-N466 WeakPolarHBondContact O-CB 3.09Å; T463-N466 PolarHBondContact O-N 2.94Å; Q464-N466 VanDerWaalsContact C-N 3.28Å; Q464-N466 PolarHBondContact O-N 2.9Å; N466-G470 WeakPolarHBondContact O-CA 3.46Å; N466-G470 PolarHBondContact O-N 3.42Å; N466-L473 HydrophobicContact CB-CD1 4.19Å; N466-Q588 PolarHBondContact OD1-NE2 2.88Å
467	K	95.1	Very high	96.2	Very high	132 Å²	132	23.9 Å²	23.9	57%	0.574	12%	0.123	S	C	*	.	H	α-helix	trans	-61.9	-41.4	175.4	-175.5	178.2	-179.9	-179.7	0	112.4	E431 T463 Q464	E431-K467 IonicContact OE1-NZ 3.94Å; T463-K467 PolarHBondContact O-N 3.25Å; Q464-K467 PolarHBondContact O-N 2.68Å
468	H	95.8	Very high	96.2	Very high	13 Å²	13	21.8 Å²	21.8	6%	0.06	11%	0.112	C	C	.	.	H	α-helix	trans	-97.7	-19.6	-173.6	-70.3	-76.5	0	0	0	114.7	F197 Q464 A465 Y546 I559 S562	F197-H468 HydrophobicContact CE2-CB 4.47Å; F197-H468 HydrophobicContact CZ-CB 4.29Å; F197-H468 AromaticContact CZ-CD2 3.82Å; Q464-H468 PolarHBondContact O-CD2 3.25Å; Q464-H468 VanDerWaalsContact O-CD2 3.27Å; Q464-H468 PolarHBondContact O-N 2.84Å; Q464-H468 VanDerWaalsContact O-N 3.12Å; A465-H468 PolarHBondContact O-N 2.93Å; H468-Y546 VanDerWaalsContact O-CE1 3.31Å; H468-Y546 WeakPolarHBondContact O-CE1 3.2Å; H468-I559 WeakPolarHBondContact NE2-CD1 3.25Å; H468-S562 VanDerWaalsContact ND1-CB 3.28Å; H468-S562 WeakPolarHBondContact ND1-CB 3.38Å; H468-S562 PolarHBondContact ND1-OG 3.48Å
469	F	97.3	Very high	96.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-137.8	29.7	-174.1	-65.8	-90	0	0	0	112.9	K193 V194 F197 A465 M471 A472 L473 Y546 F548 V550	K193-F469 HydrophobicContact CB-CE1 3.8Å; K193-F469 HydrophobicContact CB-CZ 4.29Å; V194-F469 HydrophobicContact CB-CB 3.84Å; V194-F469 HydrophobicContact CB-CD1 4Å; V194-F469 HydrophobicContact CB-CD2 4.48Å; V194-F469 HydrophobicContact CB-CG 3.86Å; V194-F469 HydrophobicContact CG2-CB 3.4Å; V194-F469 HydrophobicContact CG2-CD1 4.43Å; V194-F469 HydrophobicContact CG2-CD2 4.22Å; V194-F469 HydrophobicContact CG2-CG 3.79Å; F197-F469 HydrophobicContact CB-CD2 4.3Å; F197-F469 HydrophobicContact CB-CE2 3.77Å; F197-F469 HydrophobicContact CB-CZ 4.38Å; F197-F469 HydrophobicContact CD1-CD2 4.33Å; F197-F469 HydrophobicContact CD1-CE2 4.28Å; F197-F469 HydrophobicContact CD2-CD2 4.41Å; F197-F469 AromaticContact CD2-CE2 3.61Å; F197-F469 HydrophobicContact CD2-CE2 3.61Å; F197-F469 HydrophobicContact CD2-CZ 4.49Å; F197-F469 HydrophobicContact CE2-CE2 4.25Å; F197-F469 HydrophobicContact CG-CD2 4.1Å; F197-F469 AromaticContact CG-CE2 3.62Å; F197-F469 HydrophobicContact CG-CE2 3.62Å; A465-F469 CarbonylContact O-C 3.49Å; A465-F469 VanDerWaalsContact O-CA 3.32Å; A465-F469 WeakPolarHBondContact O-CA 3.26Å; A465-F469 VanDerWaalsContact O-CB 3.29Å; A465-F469 WeakPolarHBondContact O-CB 3.37Å; A465-F469 PolarHBondContact O-N 2.88Å; F469-M471 VanDerWaalsContact C-N 3.33Å; F469-M471 PolarHBondContact O-N 3.32Å; F469-A472 HydrophobicContact CB-CB 4.31Å; F469-A472 PolarHBondContact O-N 2.83Å; F469-L473 PolarHBondContact O-N 3.28Å; F469-Y546 HydrophobicContact CB-CE1 4.22Å; F469-Y546 AromaticContact CD1-CD1 3.39Å; F469-Y546 HydrophobicContact CD1-CD1 3.39Å; F469-Y546 AromaticContact CD1-CE1 3.65Å; F469-Y546 HydrophobicContact CD1-CE1 3.65Å; F469-Y546 AromaticContact CD1-CG 3.89Å; F469-Y546 HydrophobicContact CD1-CG 3.89Å; F469-Y546 AromaticContact CE1-CD1 3.64Å; F469-Y546 HydrophobicContact CE1-CD1 3.64Å; F469-Y546 HydrophobicContact CE1-CE1 4.32Å; F469-Y546 HydrophobicContact CE1-CG 4.04Å; F469-Y546 HydrophobicContact CG-CD1 4.28Å; F469-Y546 HydrophobicContact CG-CE1 4.16Å; F469-F548 HydrophobicContact CE1-CE1 4.33Å; F469-F548 HydrophobicContact CE1-CE2 4.28Å; F469-F548 AromaticContact CE1-CZ 3.67Å; F469-F548 HydrophobicContact CE1-CZ 3.67Å; F469-F548 HydrophobicContact CE2-CE2 4.27Å; F469-F548 AromaticContact CE2-CZ 3.92Å; F469-F548 HydrophobicContact CE2-CZ 3.92Å; F469-F548 HydrophobicContact CZ-CE1 4.27Å; F469-F548 AromaticContact CZ-CE2 3.54Å; F469-F548 HydrophobicContact CZ-CE2 3.54Å; F469-F548 AromaticContact CZ-CZ 3.22Å; F469-F548 HydrophobicContact CZ-CZ 3.22Å; F469-V550 HydrophobicContact CE1-CG2 4.43Å; F469-V550 HydrophobicContact CZ-CG2 3.67Å
470	G	96	Very high	96	Very high	9 Å²	9	29.5 Å²	29.5	9%	0.093	15%	0.146	C	C	.	.	H	α-helix	trans	-50.6	-47.9	-173.4	0	0	0	0	0	113.6	N466 L473 G474 P586 Q588	N466-G470 WeakPolarHBondContact O-CA 3.46Å; N466-G470 PolarHBondContact O-N 3.42Å; G470-L473 PolarHBondContact O-N 2.9Å; G470-G474 PolarHBondContact O-N 3.48Å; G470-P586 VanDerWaalsContact O-CB 3.29Å; G470-P586 WeakPolarHBondContact O-CB 3.29Å; G470-Q588 PolarHBondContact O-NE2 3.41Å; G470-Q588 PolarHBondContact O-OE1 3.33Å
471	M	95.9	Very high	96	Very high	32 Å²	32	30.2 Å²	30.2	16%	0.158	15%	0.148	C	C	.	.	H	α-helix	trans	-70	-33.9	-179.7	-60.8	-59.1	-99.1	0	0	112.9	F469 G474 A475 P533 F535 L536 Y546 W583 P586	F469-M471 VanDerWaalsContact C-N 3.33Å; F469-M471 PolarHBondContact O-N 3.32Å; M471-G474 PolarHBondContact O-N 2.84Å; M471-A475 PolarHBondContact O-N 3.27Å; M471-P533 HydrophobicContact CE-CG 3.58Å; M471-F535 HydrophobicContact CE-CE1 3.78Å; M471-F535 HydrophobicContact CE-CZ 3.55Å; M471-L536 HydrophobicContact CB-CD2 4.01Å; M471-L536 HydrophobicContact CE-CD1 4.42Å; M471-L536 HydrophobicContact CE-CD2 4.32Å; M471-Y546 WeakPolarHBondContact CB-OH 2.86Å; M471-Y546 PolarHBondContact N-OH 2.81Å; M471-Y546 VanDerWaalsContact N-OH 3.07Å; M471-W583 HydrophobicContact CE-CB 4.3Å; M471-P586 HydrophobicContact SD-CB 4.17Å
472	A	96.6	Very high	95.8	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-68.1	-43.3	175.5	0	0	0	0	0	111.7	A190 F469 G474 A475 L476 I542 Y546	A190-A472 HydrophobicContact CB-CB 3.97Å; F469-A472 HydrophobicContact CB-CB 4.31Å; F469-A472 PolarHBondContact O-N 2.83Å; A472-G474 VanDerWaalsContact C-N 3.29Å; A472-G474 PolarHBondContact O-N 3.22Å; A472-A475 PolarHBondContact O-N 3.45Å; A472-L476 PolarHBondContact O-N 3.46Å; A472-I542 HydrophobicContact CB-CG2 4.11Å; A472-Y546 HydrophobicContact CB-CD2 4.17Å; A472-Y546 HydrophobicContact CB-CE2 3.6Å; A472-Y546 PolarHBondContact N-OH 3.05Å
473	L	96.6	Very high	95.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-39.4	171.1	-73.7	-175.1	0	0	0	111.7	L174 L178 V194 L462 A465 N466 F469 G470 A475 L476 F477	L174-L473 HydrophobicContact CD2-CB 4.4Å; L178-L473 HydrophobicContact CD1-CD2 4.28Å; L178-L473 HydrophobicContact CD2-CD2 3.73Å; L178-L473 HydrophobicContact CG-CD2 3.99Å; V194-L473 HydrophobicContact CG1-CD2 4.25Å; V194-L473 HydrophobicContact CG2-CD1 4.45Å; V194-L473 HydrophobicContact CG2-CD2 3.59Å; V194-L473 HydrophobicContact CG2-CG 3.79Å; L462-L473 HydrophobicContact CD1-CD1 4.03Å; A465-L473 HydrophobicContact CB-CD1 4.16Å; N466-L473 HydrophobicContact CB-CD1 4.19Å; F469-L473 PolarHBondContact O-N 3.28Å; G470-L473 PolarHBondContact O-N 2.9Å; L473-A475 VanDerWaalsContact C-N 3.33Å; L473-A475 PolarHBondContact O-N 3.11Å; L473-L476 PolarHBondContact O-N 3.44Å; L473-F477 WeakPolarHBondContact O-CB 3.45Å; L473-F477 PolarHBondContact O-N 3.2Å
474	G	96.6	Very high	95.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60	-43.2	176.5	0	0	0	0	0	112.7	G470 M471 A472 L476 F477 V478 Q588	G470-G474 PolarHBondContact O-N 3.48Å; M471-G474 PolarHBondContact O-N 2.84Å; A472-G474 VanDerWaalsContact C-N 3.29Å; A472-G474 PolarHBondContact O-N 3.22Å; G474-L476 VanDerWaalsContact C-N 3.32Å; G474-L476 PolarHBondContact O-N 3.21Å; G474-F477 PolarHBondContact O-N 3.47Å; G474-V478 WeakPolarHBondContact O-CG1 3.45Å; G474-V478 VanDerWaalsContact O-CG2 3.3Å; G474-V478 WeakPolarHBondContact O-CG2 3.31Å; G474-V478 PolarHBondContact O-N 2.83Å; G474-Q588 VanDerWaalsContact N-OE1 3.16Å
475	A	96.2	Very high	94.8	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-58.6	-42.7	174.4	0	0	0	0	0	112.1	M471 A472 L473 K479 L536 I542	M471-A475 PolarHBondContact O-N 3.27Å; A472-A475 PolarHBondContact O-N 3.45Å; L473-A475 VanDerWaalsContact C-N 3.33Å; L473-A475 PolarHBondContact O-N 3.11Å; A475-K479 WeakPolarHBondContact O-CB 3.34Å; A475-K479 WeakPolarHBondContact O-CD 3.26Å; A475-K479 WeakPolarHBondContact O-CG 3.47Å; A475-K479 PolarHBondContact O-N 2.96Å; A475-L536 HydrophobicContact CB-CB 4.24Å; A475-I542 HydrophobicContact CB-CD1 3.35Å
476	L	96.2	Very high	94.4	Very high	29 Å²	29	41.4 Å²	41.4	15%	0.152	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-44.8	175.3	-62.6	177	0	0	0	111.9	L177 E191 V194 A472 L473 G474 K480	L177-L476 HydrophobicContact CD1-CB 4.12Å; L177-L476 HydrophobicContact CD2-CB 4.43Å; E191-L476 HydrophobicContact CG-CD1 4.44Å; E191-L476 HydrophobicContact CG-CD2 4.11Å; V194-L476 HydrophobicContact CG1-CD1 4.37Å; A472-L476 PolarHBondContact O-N 3.46Å; L473-L476 PolarHBondContact O-N 3.44Å; G474-L476 VanDerWaalsContact C-N 3.32Å; G474-L476 PolarHBondContact O-N 3.21Å; L476-K480 PolarHBondContact O-N 2.74Å
477	F	96.2	Very high	94.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-49.6	-179.4	-177.8	-95.5	0	0	0	111.7	N170 K173 L174 L473 G474 K480 H481 Q588 A605	N170-F477 HydrophobicContact CB-CE2 4.41Å; K173-F477 HydrophobicContact CD-CE2 4.19Å; L174-F477 HydrophobicContact CD2-CB 3.95Å; L174-F477 HydrophobicContact CD2-CD2 3.87Å; L174-F477 HydrophobicContact CD2-CG 4.29Å; L174-F477 HydrophobicContact CG-CD2 4.17Å; L473-F477 WeakPolarHBondContact O-CB 3.45Å; L473-F477 PolarHBondContact O-N 3.2Å; G474-F477 PolarHBondContact O-N 3.47Å; F477-K480 PolarHBondContact O-N 3.43Å; F477-H481 HydrophobicContact CD2-CB 4.47Å; F477-H481 HydrophobicContact CE2-CB 4.29Å; F477-H481 HydrophobicContact CZ-CB 4.35Å; F477-H481 WeakPolarHBondContact O-CA 3.42Å; F477-H481 WeakPolarHBondContact O-CB 3.47Å; F477-H481 PolarHBondContact O-N 3.14Å; F477-Q588 HydrophobicContact CB-CB 4.18Å; F477-Q588 HydrophobicContact CD1-CB 3.91Å; F477-Q588 HydrophobicContact CD2-CB 4.15Å; F477-Q588 HydrophobicContact CE1-CB 4.32Å; F477-Q588 HydrophobicContact CG-CB 3.82Å; F477-A605 HydrophobicContact CE1-CB 4.31Å
478	V	95.3	Very high	94.2	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.024	19%	0.192	C	C	.	.	H	α-helix	trans	-69.9	-39.3	-175.4	-59.3	0	0	0	0	112	G474 K480 F482 Y532 P587 A605	G474-V478 WeakPolarHBondContact O-CG1 3.45Å; G474-V478 VanDerWaalsContact O-CG2 3.3Å; G474-V478 WeakPolarHBondContact O-CG2 3.31Å; G474-V478 PolarHBondContact O-N 2.83Å; V478-K480 PolarHBondContact O-N 3.43Å; V478-F482 HydrophobicContact CB-CB 4.35Å; V478-F482 PolarHBondContact O-N 2.83Å; V478-Y532 HydrophobicContact CB-CD1 3.85Å; V478-Y532 HydrophobicContact CB-CE1 4.31Å; V478-Y532 HydrophobicContact CB-CG 4.24Å; V478-Y532 HydrophobicContact CG1-CD1 3.81Å; V478-Y532 HydrophobicContact CG1-CG 4.08Å; V478-Y532 HydrophobicContact CG2-CD1 4.23Å; V478-Y532 HydrophobicContact CG2-CG 4.19Å; V478-P587 HydrophobicContact CG1-CB 3.58Å; V478-P587 HydrophobicContact CG1-CG 4.29Å; V478-A605 HydrophobicContact CG1-CB 4.01Å
479	K	93.6	Very high	94	Very high	107 Å²	107	40.3 Å²	40.3	47%	0.465	21%	0.205	S	C	.	.	H	α-helix	trans	-58.9	-33.2	176.3	-75.9	175.9	-176.1	-176.3	0	112.1	A475 D539	A475-K479 WeakPolarHBondContact O-CB 3.34Å; A475-K479 WeakPolarHBondContact O-CD 3.26Å; A475-K479 WeakPolarHBondContact O-CG 3.47Å; A475-K479 PolarHBondContact O-N 2.96Å; K479-D539 IonicContact NZ-OD1 3.49Å; K479-D539 PolarHBondContact NZ-OD1 3.38Å; K479-D539 IonicContact NZ-OD2 3.39Å
480	K	94.1	Very high	93.9	Very high	101 Å²	101	40.3 Å²	40.3	44%	0.439	21%	0.205	S	C	.	.	H	α-helix	trans	-100	-31.9	-175.4	-163.6	173.5	-176.6	-171.1	0	114.6	L177 E180 L476 F477 V478	L177-K480 HydrophobicContact CD2-CB 4.31Å; L177-K480 HydrophobicContact CD2-CD 3.42Å; L177-K480 VanDerWaalsContact CD2-CD 3.42Å; L177-K480 HydrophobicContact CD2-CG 4.5Å; L177-K480 HydrophobicContact CG-CD 4.3Å; E180-K480 IonicContact OE1-NZ 2.79Å; E180-K480 PolarHBondContact OE1-NZ 3.08Å; L476-K480 PolarHBondContact O-N 2.74Å; F477-K480 PolarHBondContact O-N 3.43Å; V478-K480 PolarHBondContact O-N 3.43Å
481	H	93	Very high	93.8	Very high	58 Å²	58	43.7 Å²	43.7	27%	0.269	22%	0.218	S	C	.	.	H	α-helix	trans	-125.1	-0.6	-164.6	-62	-61	0	0	0	115.4	F477	F477-H481 HydrophobicContact CD2-CB 4.47Å; F477-H481 HydrophobicContact CE2-CB 4.29Å; F477-H481 HydrophobicContact CZ-CB 4.35Å; F477-H481 WeakPolarHBondContact O-CA 3.42Å; F477-H481 WeakPolarHBondContact O-CB 3.47Å; F477-H481 PolarHBondContact O-N 3.14Å
482	F	93.1	Very high	93.8	Very high	26 Å²	26	47.9 Å²	47.9	11%	0.114	24%	0.235	C	C	.	.			trans	-130.2	133.5	-178.1	-170.9	-103.9	0	0	0	112.6	V478 K487 Y532 A605 L608	V478-F482 HydrophobicContact CB-CB 4.35Å; V478-F482 PolarHBondContact O-N 2.83Å; F482-K487 HydrophobicContact CE1-CB 3.99Å; F482-K487 HydrophobicContact CZ-CB 4.27Å; F482-Y532 AromaticContact CD1-CD1 3.81Å; F482-Y532 HydrophobicContact CD1-CD1 3.81Å; F482-Y532 AromaticContact CD1-CE1 3.68Å; F482-Y532 HydrophobicContact CD1-CE1 3.68Å; F482-Y532 HydrophobicContact CE1-CD1 4.08Å; F482-Y532 AromaticContact CE1-CE1 4Å; F482-Y532 HydrophobicContact CE1-CE1 4Å; F482-A605 HydrophobicContact CB-CB 4.06Å; F482-A605 HydrophobicContact CD1-CB 3.97Å; F482-A605 HydrophobicContact CD2-CB 3.59Å; F482-A605 HydrophobicContact CE1-CB 4.31Å; F482-A605 HydrophobicContact CE2-CB 3.98Å; F482-A605 HydrophobicContact CG-CB 3.59Å; F482-A605 HydrophobicContact CZ-CB 4.32Å; F482-L608 HydrophobicContact CE2-CB 3.94Å; F482-L608 HydrophobicContact CE2-CD1 3.67Å; F482-L608 HydrophobicContact CE2-CG 4.43Å; F482-L608 HydrophobicContact CZ-CD1 3.67Å
483	S	90.5	Very high	93.8	Very high	54 Å²	54	48 Å²	48	38%	0.378	24%	0.235	S	C	.	.			trans	-101	146.9	-175.9	71.7	0	0	0	0	112.9	E485 S486 K487	S483-E485 VanDerWaalsContact C-N 3.26Å; S483-E485 PolarHBondContact O-N 3.46Å; S483-S486 WeakPolarHBondContact O-CB 3.3Å; S483-S486 PolarHBondContact O-N 3.48Å; S483-S486 PolarHBondContact OG-N 3.17Å; S483-S486 PolarHBondContact OG-OG 2.74Å; S483-K487 PolarHBondContact O-N 3Å
484	L	89.1	Confident	93.8	Very high	114 Å²	114	48 Å²	48	60%	0.597	24%	0.235	S	C	*	.	H	α-helix	trans	-62.2	-34.9	174.4	-177.1	61.9	0	0	0	112.1	S486 K487 V488	L484-S486 VanDerWaalsContact C-N 3.29Å; L484-S486 PolarHBondContact O-N 3.25Å; L484-K487 HydrophobicContact CD1-CB 4.48Å; L484-K487 HydrophobicContact CD1-CD 4.33Å; L484-K487 WeakPolarHBondContact O-CB 3.42Å; L484-K487 PolarHBondContact O-N 3.35Å; L484-K487 VanDerWaalsContact O-N 3.13Å; L484-V488 PolarHBondContact O-N 2.7Å; L484-V488 VanDerWaalsContact O-N 3.11Å
485	E	89.8	Confident	93.8	Very high	113 Å²	113	52.5 Å²	52.5	53%	0.528	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-40.5	175.8	-169.3	-168	155.7	0	0	112	S483 K487 V488 K489	S483-E485 VanDerWaalsContact C-N 3.26Å; S483-E485 PolarHBondContact O-N 3.46Å; E485-K487 VanDerWaalsContact C-N 3.33Å; E485-K487 PolarHBondContact O-N 3.3Å; E485-V488 PolarHBondContact O-N 3.27Å; E485-K489 HydrophobicContact CG-CD 4.42Å; E485-K489 PolarHBondContact O-N 2.73Å; E485-K489 VanDerWaalsContact OE1-CE 3.29Å; E485-K489 WeakPolarHBondContact OE1-CE 3.42Å; E485-K489 IonicContact OE1-NZ 3.52Å; E485-K489 PolarHBondContact OE1-NZ 3.09Å
486	S	90.9	Very high	93.9	Very high	14 Å²	14	52.8 Å²	52.8	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-39.9	175.8	-62.2	0	0	0	0	111.5	S483 L484 V488 K489 V490	S483-S486 WeakPolarHBondContact O-CB 3.3Å; S483-S486 PolarHBondContact O-N 3.48Å; S483-S486 PolarHBondContact OG-N 3.17Å; S483-S486 PolarHBondContact OG-OG 2.74Å; L484-S486 VanDerWaalsContact C-N 3.29Å; L484-S486 PolarHBondContact O-N 3.25Å; S486-V488 PolarHBondContact O-N 2.85Å; S486-K489 PolarHBondContact O-N 3.19Å; S486-V490 VanDerWaalsContact O-CG2 3.29Å; S486-V490 WeakPolarHBondContact O-CG2 3.33Å; S486-V490 PolarHBondContact O-N 2.8Å
487	K	92.1	Very high	94	Very high	21 Å²	21	51.4 Å²	51.4	9%	0.091	25%	0.25	C	S	.	.	H	α-helix	trans	-57.5	-47.8	175	-170.5	170.3	172.6	172.2	0	110.9	F482 S483 L484 E485 V490 Q491 T530 Y532 D534	F482-K487 HydrophobicContact CE1-CB 3.99Å; F482-K487 HydrophobicContact CZ-CB 4.27Å; S483-K487 PolarHBondContact O-N 3Å; L484-K487 HydrophobicContact CD1-CB 4.48Å; L484-K487 HydrophobicContact CD1-CD 4.33Å; L484-K487 WeakPolarHBondContact O-CB 3.42Å; L484-K487 PolarHBondContact O-N 3.35Å; L484-K487 VanDerWaalsContact O-N 3.13Å; E485-K487 VanDerWaalsContact C-N 3.33Å; E485-K487 PolarHBondContact O-N 3.3Å; K487-V490 PolarHBondContact O-N 3.41Å; K487-Q491 VanDerWaalsContact O-CG 3.27Å; K487-Q491 WeakPolarHBondContact O-CG 3.36Å; K487-Q491 PolarHBondContact O-N 3.25Å; K487-T530 WeakPolarHBondContact CE-O 3.38Å; K487-T530 HydrophobicContact CG-CG2 4.39Å; K487-Y532 PolarHBondContact NZ-O 2.83Å; K487-D534 IonicContact NZ-OD1 3.84Å; K487-D534 PolarHBondContact NZ-OD1 2.91Å
488	V	92.6	Very high	94.1	Very high	84 Å²	84	52.8 Å²	52.8	51%	0.509	26%	0.256	S	S	.	.	H	α-helix	trans	-65.3	-45.1	-179.4	175.2	0	0	0	0	112.2	L484 E485 S486 V490 Q491 K492	L484-V488 PolarHBondContact O-N 2.7Å; L484-V488 VanDerWaalsContact O-N 3.11Å; E485-V488 PolarHBondContact O-N 3.27Å; S486-V488 PolarHBondContact O-N 2.85Å; V488-V490 PolarHBondContact O-N 2.76Å; V488-Q491 PolarHBondContact O-N 3.39Å; V488-K492 PolarHBondContact O-N 3.27Å; V488-K492 VanDerWaalsContact O-N 3.11Å
489	K	92.6	Very high	94.2	Very high	73 Å²	73	56.1 Å²	56.1	32%	0.317	27%	0.271	S	S	.	.	H	α-helix	trans	-63.1	-40.4	178.6	-79.1	176.1	170.7	170.7	0	112.1	E485 S486 K492 L493 Y613 P615 E616	E485-K489 HydrophobicContact CG-CD 4.42Å; E485-K489 PolarHBondContact O-N 2.73Å; E485-K489 VanDerWaalsContact OE1-CE 3.29Å; E485-K489 WeakPolarHBondContact OE1-CE 3.42Å; E485-K489 IonicContact OE1-NZ 3.52Å; E485-K489 PolarHBondContact OE1-NZ 3.09Å; S486-K489 PolarHBondContact O-N 3.19Å; K489-K492 WeakPolarHBondContact O-CB 3.19Å; K489-K492 PolarHBondContact O-N 2.94Å; K489-L493 PolarHBondContact O-N 3.2Å; K489-Y613 WeakPolarHBondContact CB-OH 3.4Å; K489-P615 HydrophobicContact CD-CB 3.71Å; K489-E616 IonicContact NZ-OE1 3.01Å
490	V	94.8	Very high	94.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-69.3	-39.2	176.6	174.4	0	0	0	0	111.5	S486 K487 V488 K492 L493 V494 T530 L608 Y613 I630	S486-V490 VanDerWaalsContact O-CG2 3.29Å; S486-V490 WeakPolarHBondContact O-CG2 3.33Å; S486-V490 PolarHBondContact O-N 2.8Å; K487-V490 PolarHBondContact O-N 3.41Å; V488-V490 PolarHBondContact O-N 2.76Å; V490-K492 PolarHBondContact O-N 2.86Å; V490-L493 WeakPolarHBondContact O-CB 3.37Å; V490-L493 PolarHBondContact O-N 3.15Å; V490-L493 VanDerWaalsContact O-N 3.1Å; V490-V494 WeakPolarHBondContact O-CG2 3.47Å; V490-V494 PolarHBondContact O-N 3.24Å; V490-T530 HydrophobicContact CB-CG2 3.87Å; V490-T530 HydrophobicContact CG1-CG2 3.55Å; V490-L608 HydrophobicContact CB-CD1 4.47Å; V490-L608 HydrophobicContact CG1-CD1 4.34Å; V490-L608 HydrophobicContact CG1-CD2 4.02Å; V490-L608 HydrophobicContact CG2-CD1 4.06Å; V490-L608 HydrophobicContact CG2-CD2 3.87Å; V490-L608 HydrophobicContact CG2-CG 4.5Å; V490-Y613 HydrophobicContact CG2-CD1 4.07Å; V490-Y613 HydrophobicContact CG2-CD2 4.03Å; V490-Y613 HydrophobicContact CG2-CE1 3.74Å; V490-Y613 HydrophobicContact CG2-CE2 3.69Å; V490-Y613 HydrophobicContact CG2-CG 4.2Å; V490-I630 HydrophobicContact CG1-CD1 4.34Å
491	Q	95	Very high	94.6	Very high	80 Å²	80	46.6 Å²	46.6	37%	0.374	23%	0.231	S	C	.	.	H	α-helix	trans	-57.3	-36.9	172.8	-76	171.6	-28.9	0	0	111.9	K487 V488 V494 E495	K487-Q491 VanDerWaalsContact O-CG 3.27Å; K487-Q491 WeakPolarHBondContact O-CG 3.36Å; K487-Q491 PolarHBondContact O-N 3.25Å; V488-Q491 PolarHBondContact O-N 3.39Å; Q491-V494 PolarHBondContact O-N 2.78Å; Q491-E495 PolarHBondContact O-N 3.17Å
492	K	94.7	Very high	94.8	Very high	119 Å²	119	45.5 Å²	45.5	52%	0.517	23%	0.227	S	C	.	.	H	α-helix	trans	-64.7	-43.2	174.8	-175.5	53.8	175.5	144.5	0	112.5	V488 K489 V490 V494 E495 D496	V488-K492 PolarHBondContact O-N 3.27Å; V488-K492 VanDerWaalsContact O-N 3.11Å; K489-K492 WeakPolarHBondContact O-CB 3.19Å; K489-K492 PolarHBondContact O-N 2.94Å; V490-K492 PolarHBondContact O-N 2.86Å; K492-V494 VanDerWaalsContact C-N 3.29Å; K492-V494 PolarHBondContact O-N 3.06Å; K492-E495 PolarHBondContact O-N 3.45Å; K492-D496 IonicContact NZ-OD1 2.7Å; K492-D496 PolarHBondContact NZ-OD1 3.29Å; K492-D496 IonicContact NZ-OD2 2.57Å; K492-D496 PolarHBondContact O-N 2.68Å
493	L	96.1	Very high	94.9	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-57.9	-42.2	173.1	-70.3	171.5	0	0	0	111.6	K489 V490 E495 D496 I497 Y613 N622 Y623 I626 I630	K489-L493 PolarHBondContact O-N 3.2Å; V490-L493 WeakPolarHBondContact O-CB 3.37Å; V490-L493 PolarHBondContact O-N 3.15Å; V490-L493 VanDerWaalsContact O-N 3.1Å; L493-E495 PolarHBondContact O-N 3.44Å; L493-D496 PolarHBondContact O-N 3.49Å; L493-I497 WeakPolarHBondContact O-CD1 3.36Å; L493-I497 VanDerWaalsContact O-CG1 3.32Å; L493-I497 WeakPolarHBondContact O-CG1 3.36Å; L493-I497 PolarHBondContact O-N 2.99Å; L493-Y613 HydrophobicContact CD1-CD2 4.22Å; L493-Y613 HydrophobicContact CD1-CE2 4.13Å; L493-N622 HydrophobicContact CD1-CB 4.36Å; L493-Y623 HydrophobicContact CD2-CD1 4.3Å; L493-Y623 HydrophobicContact CD2-CD2 3.95Å; L493-Y623 HydrophobicContact CD2-CE1 3.85Å; L493-Y623 HydrophobicContact CD2-CE2 3.48Å; L493-Y623 VanDerWaalsContact CD2-CE2 3.48Å; L493-Y623 HydrophobicContact CD2-CG 4.35Å; L493-Y623 VanDerWaalsContact CD2-CZ 3.43Å; L493-I626 HydrophobicContact CD1-CG2 3.84Å; L493-I630 HydrophobicContact CB-CD1 4.05Å
494	V	97.3	Very high	95.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-46	177.2	178.5	0	0	0	0	111.7	V490 Q491 K492 D496 I497 K498 V528 M601 F603 I630	V490-V494 WeakPolarHBondContact O-CG2 3.47Å; V490-V494 PolarHBondContact O-N 3.24Å; Q491-V494 PolarHBondContact O-N 2.78Å; K492-V494 VanDerWaalsContact C-N 3.29Å; K492-V494 PolarHBondContact O-N 3.06Å; V494-D496 VanDerWaalsContact C-N 3.34Å; V494-D496 PolarHBondContact O-N 3.1Å; V494-I497 PolarHBondContact O-N 2.99Å; V494-K498 HydrophobicContact CG1-CD 3.8Å; V494-K498 HydrophobicContact CG1-CG 4.23Å; V494-K498 WeakPolarHBondContact O-CB 3.47Å; V494-K498 WeakPolarHBondContact O-CG 3.04Å; V494-K498 PolarHBondContact O-N 3.16Å; V494-V528 HydrophobicContact CB-CG1 4.27Å; V494-V528 HydrophobicContact CG1-CB 4.4Å; V494-V528 HydrophobicContact CG1-CG1 3.66Å; V494-V528 HydrophobicContact CG1-CG2 3.94Å; V494-V528 HydrophobicContact CG2-CG1 4.1Å; V494-M601 HydrophobicContact CG1-CE 3.74Å; V494-M601 HydrophobicContact CG1-SD 4.44Å; V494-F603 HydrophobicContact CG2-CD2 4.32Å; V494-F603 HydrophobicContact CG2-CE2 4.04Å; V494-I630 HydrophobicContact CB-CG2 4.25Å; V494-I630 HydrophobicContact CG1-CG2 4.29Å; V494-I630 HydrophobicContact CG2-CD1 3.78Å; V494-I630 HydrophobicContact CG2-CG1 4.06Å; V494-I630 HydrophobicContact CG2-CG2 3.85Å
495	E	97.4	Very high	95.4	Very high	95 Å²	95	40.7 Å²	40.7	44%	0.444	20%	0.197	S	C	.	.	H	α-helix	trans	-66.5	-36.2	178.9	-69.2	-57.4	132.4	0	0	112.5	Q491 K492 L493 I497 K498 H499	Q491-E495 PolarHBondContact O-N 3.17Å; K492-E495 PolarHBondContact O-N 3.45Å; L493-E495 PolarHBondContact O-N 3.44Å; E495-I497 VanDerWaalsContact C-N 3.34Å; E495-I497 PolarHBondContact O-N 3.46Å; E495-K498 IonicContact OE1-NZ 3.39Å; E495-K498 PolarHBondContact OE1-NZ 3.47Å; E495-K498 IonicContact OE2-NZ 3.39Å; E495-H499 VanDerWaalsContact O-CB 3.3Å; E495-H499 WeakPolarHBondContact O-CB 3.38Å; E495-H499 PolarHBondContact O-N 2.87Å
496	D	97.3	Very high	95.6	Very high	11 Å²	11	39.3 Å²	39.3	6%	0.059	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-38.4	175.3	-68.2	-19.9	0	0	0	111.4	K492 L493 V494 A500 Y623 A706	K492-D496 IonicContact NZ-OD1 2.7Å; K492-D496 PolarHBondContact NZ-OD1 3.29Å; K492-D496 IonicContact NZ-OD2 2.57Å; K492-D496 PolarHBondContact O-N 2.68Å; L493-D496 PolarHBondContact O-N 3.49Å; V494-D496 VanDerWaalsContact C-N 3.34Å; V494-D496 PolarHBondContact O-N 3.1Å; D496-A500 PolarHBondContact O-N 3.34Å; D496-Y623 WeakPolarHBondContact CB-OH 3.35Å; D496-Y623 PolarHBondContact OD2-OH 2.72Å; D496-A706 HydrophobicContact CB-CB 4.43Å
497	I	98.4	Very high	95.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-74.6	-40.9	178.1	-68.8	163	0	0	0	112.2	L493 V494 E495 H499 A500 L501 Y623 G627 I630 L634 L702 A706	L493-I497 WeakPolarHBondContact O-CD1 3.36Å; L493-I497 VanDerWaalsContact O-CG1 3.32Å; L493-I497 WeakPolarHBondContact O-CG1 3.36Å; L493-I497 PolarHBondContact O-N 2.99Å; V494-I497 PolarHBondContact O-N 2.99Å; E495-I497 VanDerWaalsContact C-N 3.34Å; E495-I497 PolarHBondContact O-N 3.46Å; I497-H499 VanDerWaalsContact C-N 3.27Å; I497-H499 PolarHBondContact O-N 3.29Å; I497-A500 WeakPolarHBondContact O-CB 2.99Å; I497-A500 PolarHBondContact O-N 3.46Å; I497-A500 VanDerWaalsContact O-N 3.15Å; I497-L501 PolarHBondContact O-N 2.97Å; I497-Y623 HydrophobicContact CG1-CE1 4.34Å; I497-G627 VanDerWaalsContact CD1-O 3.24Å; I497-G627 WeakPolarHBondContact CD1-O 3.28Å; I497-I630 HydrophobicContact CB-CG2 4.12Å; I497-I630 HydrophobicContact CD1-CB 3.72Å; I497-I630 HydrophobicContact CD1-CD1 4.3Å; I497-I630 HydrophobicContact CD1-CG2 3.59Å; I497-I630 HydrophobicContact CG1-CG2 4.47Å; I497-I630 HydrophobicContact CG2-CG2 4.07Å; I497-L634 HydrophobicContact CG2-CD2 3.88Å; I497-L702 HydrophobicContact CG2-CB 4.1Å; I497-A706 HydrophobicContact CG1-CB 3.76Å
498	K	98	Very high	95.8	Very high	29 Å²	29	45.3 Å²	45.3	13%	0.126	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-42.6	171.6	-76	171.1	64.5	-172.5	0	111	V494 E495 A500 L501 D502 L523 V528 M601 L634	V494-K498 HydrophobicContact CG1-CD 3.8Å; V494-K498 HydrophobicContact CG1-CG 4.23Å; V494-K498 WeakPolarHBondContact O-CB 3.47Å; V494-K498 WeakPolarHBondContact O-CG 3.04Å; V494-K498 PolarHBondContact O-N 3.16Å; E495-K498 IonicContact OE1-NZ 3.39Å; E495-K498 PolarHBondContact OE1-NZ 3.47Å; E495-K498 IonicContact OE2-NZ 3.39Å; K498-A500 VanDerWaalsContact C-N 3.33Å; K498-A500 PolarHBondContact O-N 3.45Å; K498-L501 PolarHBondContact O-N 3.3Å; K498-D502 PolarHBondContact O-N 3.15Å; K498-L523 HydrophobicContact CB-CD1 4.22Å; K498-L523 HydrophobicContact CG-CD1 4.07Å; K498-V528 HydrophobicContact CD-CG2 4.23Å; K498-M601 HydrophobicContact CD-CE 3.77Å; K498-M601 HydrophobicContact CG-CE 3.96Å; K498-L634 HydrophobicContact CG-CD1 4.31Å; K498-L634 HydrophobicContact CG-CD2 4.13Å
499	H	97.6	Very high	95.9	Very high	74 Å²	74	47.9 Å²	47.9	34%	0.343	23%	0.229	S	C	.	.	H	α-helix	trans	-63.2	-39.4	175.9	-179.3	73.5	0	0	0	112.2	E495 I497 L501 D502 L503 K709	E495-H499 VanDerWaalsContact O-CB 3.3Å; E495-H499 WeakPolarHBondContact O-CB 3.38Å; E495-H499 PolarHBondContact O-N 2.87Å; I497-H499 VanDerWaalsContact C-N 3.27Å; I497-H499 PolarHBondContact O-N 3.29Å; H499-L501 VanDerWaalsContact C-N 3.3Å; H499-L501 PolarHBondContact O-N 2.89Å; H499-D502 PolarHBondContact O-N 2.04Å; H499-L503 PolarHBondContact O-N 3.45Å; H499-L503 VanDerWaalsContact O-N 3.11Å; H499-K709 VanDerWaalsContact CD2-CD 3.46Å; H499-K709 WeakPolarHBondContact CD2-CD 3.47Å; H499-K709 VanDerWaalsContact CD2-CE 3.41Å; H499-K709 WeakPolarHBondContact CD2-CE 3.48Å; H499-K709 WeakPolarHBondContact NE2-CE 3.43Å
500	A	97.8	Very high	96	Very high	6 Å²	6	44.9 Å²	44.9	5%	0.05	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-39.6	174	0	0	0	0	0	112.2	D496 I497 K498 R504 L702 A706	D496-A500 PolarHBondContact O-N 3.34Å; I497-A500 WeakPolarHBondContact O-CB 2.99Å; I497-A500 PolarHBondContact O-N 3.46Å; I497-A500 VanDerWaalsContact O-N 3.15Å; K498-A500 VanDerWaalsContact C-N 3.33Å; K498-A500 PolarHBondContact O-N 3.45Å; A500-R504 WeakPolarHBondContact O-CG 3.37Å; A500-R504 PolarHBondContact O-N 3.31Å; A500-R504 VanDerWaalsContact O-N 3.1Å; A500-L702 HydrophobicContact CB-CD2 4.43Å; A500-A706 HydrophobicContact CB-CB 4.03Å
501	L	97.6	Very high	96.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-66.9	-43.2	174.4	-179.2	59.2	0	0	0	111.9	I497 K498 H499 L503 R504 L505 L523 L634 Y638 L702	I497-L501 PolarHBondContact O-N 2.97Å; K498-L501 PolarHBondContact O-N 3.3Å; H499-L501 VanDerWaalsContact C-N 3.3Å; H499-L501 PolarHBondContact O-N 2.89Å; L501-L503 VanDerWaalsContact C-N 3.27Å; L501-L503 PolarHBondContact O-N 3Å; L501-R504 PolarHBondContact O-N 3.11Å; L501-L505 HydrophobicContact CD1-CD1 4.37Å; L501-L505 HydrophobicContact CD1-CD2 4.31Å; L501-L505 HydrophobicContact CD1-CG 3.95Å; L501-L505 HydrophobicContact CG-CD1 4.05Å; L501-L505 HydrophobicContact CG-CG 4.14Å; L501-L505 WeakPolarHBondContact O-CB 3.01Å; L501-L505 WeakPolarHBondContact O-CG 3.48Å; L501-L505 PolarHBondContact O-N 3.22Å; L501-L523 HydrophobicContact CB-CD2 4.31Å; L501-L523 HydrophobicContact CD2-CD1 4.14Å; L501-L523 HydrophobicContact CD2-CD2 4.4Å; L501-L523 HydrophobicContact CG-CD2 4.27Å; L501-L634 HydrophobicContact CB-CD2 3.93Å; L501-L634 HydrophobicContact CD2-CD1 3.94Å; L501-L634 HydrophobicContact CD2-CD2 3.8Å; L501-L634 HydrophobicContact CD2-CG 3.68Å; L501-Y638 HydrophobicContact CD2-CD2 4.13Å; L501-Y638 HydrophobicContact CD2-CE2 3.54Å; L501-L702 VanDerWaalsContact CA-CD2 3.48Å; L501-L702 HydrophobicContact CB-CD1 4.19Å; L501-L702 HydrophobicContact CB-CD2 3.66Å; L501-L702 HydrophobicContact CD1-CD1 4.28Å; L501-L702 HydrophobicContact CD1-CD2 3.97Å; L501-L702 HydrophobicContact CG-CD2 4.4Å
502	D	97.6	Very high	96.2	Very high	35 Å²	35	43.4 Å²	43.4	19%	0.187	21%	0.209	C	C	.	.	H	α-helix	trans	-58.3	-38.9	179.4	-170.8	62.5	0	0	0	112.8	K498 H499 Q506 R520 L523	K498-D502 PolarHBondContact O-N 3.15Å; H499-D502 PolarHBondContact O-N 2.04Å; D502-Q506 PolarHBondContact O-NE2 3.48Å; D502-R520 IonicContact OD1-CZ 3.91Å; D502-R520 IonicContact OD1-NE 3.51Å; D502-R520 PolarHBondContact OD1-NE 3.24Å; D502-R520 IonicContact OD1-NH2 2.95Å; D502-R520 PolarHBondContact OD1-NH2 3.09Å; D502-R520 IonicContact OD2-CZ 3.66Å; D502-R520 IonicContact OD2-NE 3.88Å; D502-R520 IonicContact OD2-NH2 3.12Å; D502-R520 PolarHBondContact OD2-NH2 3.25Å; D502-L523 HydrophobicContact CB-CD2 3.75Å
503	L	95.6	Very high	96.3	Very high	68 Å²	68	43.4 Å²	43.4	36%	0.356	21%	0.212	S	C	.	.	H	α-helix	trans	-68.4	-48.9	174.2	-68.2	179	0	0	0	111.3	H499 L501 L505 Q506 E507	H499-L503 PolarHBondContact O-N 3.45Å; H499-L503 VanDerWaalsContact O-N 3.11Å; L501-L503 VanDerWaalsContact C-N 3.27Å; L501-L503 PolarHBondContact O-N 3Å; L503-L505 VanDerWaalsContact C-N 3.32Å; L503-L505 PolarHBondContact O-N 3.06Å; L503-Q506 WeakPolarHBondContact O-CB 3.36Å; L503-Q506 PolarHBondContact O-N 3.42Å; L503-E507 PolarHBondContact O-N 2.95Å
504	R	94.6	Very high	96.4	Very high	25 Å²	25	46.1 Å²	46.1	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-40.9	-179.2	-75.5	-173.7	66.1	75.3	14.4	112.4	A500 L501 Q506 E507 L508 K701 Y705 W795	A500-R504 WeakPolarHBondContact O-CG 3.37Å; A500-R504 PolarHBondContact O-N 3.31Å; A500-R504 VanDerWaalsContact O-N 3.1Å; L501-R504 PolarHBondContact O-N 3.11Å; R504-Q506 PolarHBondContact O-N 2.97Å; R504-Q506 VanDerWaalsContact O-N 3.12Å; R504-E507 PolarHBondContact O-N 2.87Å; R504-L508 WeakPolarHBondContact O-CG 3.38Å; R504-L508 PolarHBondContact O-N 3.02Å; R504-K701 VanDerWaalsContact CZ-CD 3.44Å; R504-K701 VanDerWaalsContact NH2-CE 3.3Å; R504-Y705 PolarHBondContact NH1-OH 3.24Å; R504-W795 VanDerWaalsContact CZ-OXT 3.27Å; R504-W795 PolarHBondContact NE-OXT 3.5Å; R504-W795 VanDerWaalsContact NH2-C 3.32Å; R504-W795 PolarHBondContact NH2-O 3.23Å; R504-W795 PolarHBondContact NH2-OXT 3.06Å
505	L	96.3	Very high	96.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-55	-31.1	176.7	-75.6	173.1	0	0	0	112.6	L501 L503 L508 M511 K516 A519 R520 L523 W795	L501-L505 HydrophobicContact CD1-CD1 4.37Å; L501-L505 HydrophobicContact CD1-CD2 4.31Å; L501-L505 HydrophobicContact CD1-CG 3.95Å; L501-L505 HydrophobicContact CG-CD1 4.05Å; L501-L505 HydrophobicContact CG-CG 4.14Å; L501-L505 WeakPolarHBondContact O-CB 3.01Å; L501-L505 WeakPolarHBondContact O-CG 3.48Å; L501-L505 PolarHBondContact O-N 3.22Å; L503-L505 VanDerWaalsContact C-N 3.32Å; L503-L505 PolarHBondContact O-N 3.06Å; L505-L508 HydrophobicContact CD2-CD1 4.15Å; L505-M511 HydrophobicContact CD2-SD 4.4Å; L505-K516 VanDerWaalsContact O-CD 3.29Å; L505-K516 WeakPolarHBondContact O-CD 3.11Å; L505-K516 WeakPolarHBondContact O-CG 3.29Å; L505-A519 HydrophobicContact CD1-CB 4.04Å; L505-A519 HydrophobicContact CD2-CB 3.92Å; L505-R520 HydrophobicContact CB-CG 4.15Å; L505-R520 HydrophobicContact CD1-CG 3.86Å; L505-L523 HydrophobicContact CD1-CD2 4.4Å; L505-W795 HydrophobicContact CD2-CE3 4.25Å; L505-W795 HydrophobicContact CD2-CZ3 3.94Å
506	Q	94.2	Very high	96.4	Very high	85 Å²	85	42.5 Å²	42.5	40%	0.397	22%	0.217	S	C	.	.	H	α-helix	trans	-73.3	-36.3	176.4	-64	167.2	54.5	0	0	111.8	D502 L503 R504 K516	D502-Q506 PolarHBondContact O-NE2 3.48Å; L503-Q506 WeakPolarHBondContact O-CB 3.36Å; L503-Q506 PolarHBondContact O-N 3.42Å; R504-Q506 PolarHBondContact O-N 2.97Å; R504-Q506 VanDerWaalsContact O-N 3.12Å; Q506-K516 PolarHBondContact O-NZ 3.27Å
507	E	92.4	Very high	96.4	Very high	147 Å²	147	48.4 Å²	48.4	69%	0.687	25%	0.245	S	C	*	.	H	α-helix	trans	-82.8	-16	-175.8	-63	175.9	173.5	0	0	113.8	L503 R504 D509	L503-E507 PolarHBondContact O-N 2.95Å; R504-E507 PolarHBondContact O-N 2.87Å; E507-D509 PolarHBondContact O-N 2.78Å
508	L	94.1	Very high	96.4	Very high	13 Å²	13	50 Å²	50	7%	0.068	26%	0.257	C	S	.	.			trans	-61.2	122.2	178.8	-68	-179.6	0	0	0	111.2	R504 L505 W510 M511 K516 W795	R504-L508 WeakPolarHBondContact O-CG 3.38Å; R504-L508 PolarHBondContact O-N 3.02Å; L505-L508 HydrophobicContact CD2-CD1 4.15Å; L508-W510 HydrophobicContact CD1-CZ2 4Å; L508-M511 HydrophobicContact CB-SD 4.47Å; L508-M511 HydrophobicContact CD1-SD 3.6Å; L508-K516 WeakPolarHBondContact O-CE 3.29Å; L508-K516 PolarHBondContact O-NZ 3.06Å; L508-K516 VanDerWaalsContact O-NZ 3.1Å; L508-W795 HydrophobicContact CD1-CE3 3.83Å; L508-W795 HydrophobicContact CD1-CZ3 3.94Å
509	D	94	Very high	96.4	Very high	139 Å²	139	48.6 Å²	48.6	74%	0.743	25%	0.251	S	S	*	.	S	Bend	trans	-82.4	-17.4	-177.5	64.8	-16.7	0	0	0	113.7	E507	E507-D509 PolarHBondContact O-N 2.78Å
510	W	95.6	Very high	96.4	Very high	10 Å²	10	49.4 Å²	49.4	4%	0.038	25%	0.252	C	S	.	.	S	Bend	trans	-95.7	-7.3	-173	65.8	-91.4	0	0	0	113.5	L508 W655 K662 F663 K666 V794 W795	L508-W510 HydrophobicContact CD1-CZ2 4Å; W510-W655 HydrophobicContact CH2-CH2 4.19Å; W510-W655 AromaticContact CH2-CZ3 3.82Å; W510-W655 HydrophobicContact CH2-CZ3 3.82Å; W510-W655 AromaticContact CZ3-CZ3 3.83Å; W510-W655 HydrophobicContact CZ3-CZ3 3.83Å; W510-K662 HydrophobicContact CB-CB 4.37Å; W510-K662 HydrophobicContact CB-CD 4.23Å; W510-K662 HydrophobicContact CE3-CB 4.02Å; W510-K662 WeakPolarHBondContact O-CD 3.5Å; W510-F663 HydrophobicContact CH2-CB 4.09Å; W510-F663 HydrophobicContact CH2-CD2 4.04Å; W510-F663 HydrophobicContact CZ3-CB 3.71Å; W510-K666 HydrophobicContact CB-CD 4.37Å; W510-K666 HydrophobicContact CD2-CD 3.85Å; W510-K666 HydrophobicContact CE3-CD 4.5Å; W510-K666 HydrophobicContact CG-CD 3.79Å; W510-V794 HydrophobicContact CH2-CG1 4.23Å; W510-V794 HydrophobicContact CZ2-CG1 3.83Å; W510-V794 PolarHBondContact NE1-O 3.45Å; W510-W795 AromaticContact CH2-CH2 3.63Å; W510-W795 HydrophobicContact CH2-CH2 3.63Å; W510-W795 HydrophobicContact CH2-CZ2 4.13Å; W510-W795 AromaticContact CH2-CZ3 3.95Å; W510-W795 HydrophobicContact CH2-CZ3 3.95Å; W510-W795 HydrophobicContact CZ2-CE3 4.13Å; W510-W795 AromaticContact CZ2-CH2 3.89Å; W510-W795 HydrophobicContact CZ2-CH2 3.89Å; W510-W795 HydrophobicContact CZ2-CZ2 4.36Å; W510-W795 AromaticContact CZ2-CZ3 3.77Å; W510-W795 HydrophobicContact CZ2-CZ3 3.77Å
511	M	96.6	Very high	96.4	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.039	26%	0.259	C	S	.	.	S	Bend	trans	-106	139.2	175.6	-64.8	174.5	72.5	0	0	110.4	L505 L508 T515 K516 A519 W655 W795	L505-M511 HydrophobicContact CD2-SD 4.4Å; L508-M511 HydrophobicContact CB-SD 4.47Å; L508-M511 HydrophobicContact CD1-SD 3.6Å; M511-T515 HydrophobicContact CE-CG2 3.46Å; M511-T515 VanDerWaalsContact CE-CG2 3.46Å; M511-K516 HydrophobicContact CB-CG 3.84Å; M511-K516 VanDerWaalsContact O-CE 3.28Å; M511-K516 WeakPolarHBondContact O-CE 3.32Å; M511-A519 HydrophobicContact CE-CB 4.05Å; M511-W655 HydrophobicContact CE-CZ3 4.2Å; M511-W795 HydrophobicContact CE-CZ3 4.36Å; M511-W795 HydrophobicContact SD-CH2 4.21Å; M511-W795 HydrophobicContact SD-CZ3 3.72Å
512	D	97.1	Very high	96.5	Very high	40 Å²	40	50.3 Å²	50.3	21%	0.214	26%	0.259	C	S	.	.			trans	-73.6	162.1	167.1	58.6	62.1	0	0	0	112.1	A514 T515 K516 T656 S659	D512-A514 VanDerWaalsContact C-N 3.31Å; D512-A514 PolarHBondContact O-N 3.14Å; D512-A514 PolarHBondContact OD1-N 2.81Å; D512-T515 PolarHBondContact O-N 2.92Å; D512-T515 VanDerWaalsContact OD1-CB 3.3Å; D512-T515 WeakPolarHBondContact OD1-CB 3.39Å; D512-T515 PolarHBondContact OD1-N 3.41Å; D512-T515 PolarHBondContact OD1-OG1 3.04Å; D512-T515 PolarHBondContact OD2-OG1 2.82Å; D512-K516 WeakPolarHBondContact O-CG 3.36Å; D512-K516 PolarHBondContact O-N 3.31Å; D512-T656 WeakPolarHBondContact OD1-CG2 3.13Å; D512-T656 WeakPolarHBondContact OD2-CB 3.21Å; D512-T656 WeakPolarHBondContact OD2-CG2 3.19Å; D512-T656 PolarHBondContact OD2-OG1 3.22Å; D512-S659 VanDerWaalsContact CG-OG 3.27Å; D512-S659 PolarHBondContact N-OG 3.12Å; D512-S659 PolarHBondContact OD2-OG 3Å
513	E	96.9	Very high	96.5	Very high	120 Å²	120	49 Å²	49	56%	0.561	25%	0.252	S	S	*	.	H	α-helix	trans	-60.5	-37	-176.5	-66.4	-54.6	129.3	0	0	113.2	T515 K516 E517	E513-T515 PolarHBondContact O-N 2.9Å; E513-K516 PolarHBondContact O-N 3.21Å; E513-K516 IonicContact OE1-NZ 3.8Å; E513-K516 PolarHBondContact OE1-NZ 3.43Å; E513-E517 WeakPolarHBondContact O-CG 3.36Å; E513-E517 PolarHBondContact O-N 2.66Å
514	A	97.3	Very high	96.6	Very high	62 Å²	62	54.2 Å²	54.2	51%	0.512	27%	0.271	S	S	.	.	H	α-helix	trans	-63.6	-42	177.9	0	0	0	0	0	111.9	D512 E517 A518	D512-A514 VanDerWaalsContact C-N 3.31Å; D512-A514 PolarHBondContact O-N 3.14Å; D512-A514 PolarHBondContact OD1-N 2.81Å; A514-E517 PolarHBondContact O-N 3.24Å; A514-A518 WeakPolarHBondContact O-CB 3.39Å; A514-A518 PolarHBondContact O-N 2.89Å
515	T	98	Very high	96.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.6	-37.5	177.3	-50.3	0	0	0	0	110.8	M511 D512 E513 A518 A519 W654 W655 T656 S659	M511-T515 HydrophobicContact CE-CG2 3.46Å; M511-T515 VanDerWaalsContact CE-CG2 3.46Å; D512-T515 PolarHBondContact O-N 2.92Å; D512-T515 VanDerWaalsContact OD1-CB 3.3Å; D512-T515 WeakPolarHBondContact OD1-CB 3.39Å; D512-T515 PolarHBondContact OD1-N 3.41Å; D512-T515 PolarHBondContact OD1-OG1 3.04Å; D512-T515 PolarHBondContact OD2-OG1 2.82Å; E513-T515 PolarHBondContact O-N 2.9Å; T515-A518 PolarHBondContact O-N 3.22Å; T515-A519 WeakPolarHBondContact O-CB 3.43Å; T515-A519 PolarHBondContact O-N 3.07Å; T515-W654 HydrophobicContact CG2-CE3 4.49Å; T515-W654 HydrophobicContact CG2-CZ3 4.09Å; T515-W655 HydrophobicContact CG2-CB 4.44Å; T515-W655 HydrophobicContact CG2-CD2 4.04Å; T515-W655 HydrophobicContact CG2-CE3 3.51Å; T515-W655 HydrophobicContact CG2-CG 4.44Å; T515-W655 HydrophobicContact CG2-CZ3 4.18Å; T515-T656 PolarHBondContact OG1-N 3.19Å; T515-S659 WeakPolarHBondContact OG1-CB 3.46Å; T515-S659 PolarHBondContact OG1-OG 2.81Å
516	K	97.9	Very high	96.8	Very high	19 Å²	19	57.2 Å²	57.2	8%	0.083	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-46.5	172.9	-70.2	178	-177.5	175.1	0	111.7	L505 Q506 L508 M511 D512 E513 A518 A519 R520	L505-K516 VanDerWaalsContact O-CD 3.29Å; L505-K516 WeakPolarHBondContact O-CD 3.11Å; L505-K516 WeakPolarHBondContact O-CG 3.29Å; Q506-K516 PolarHBondContact O-NZ 3.27Å; L508-K516 WeakPolarHBondContact O-CE 3.29Å; L508-K516 PolarHBondContact O-NZ 3.06Å; L508-K516 VanDerWaalsContact O-NZ 3.1Å; M511-K516 HydrophobicContact CB-CG 3.84Å; M511-K516 VanDerWaalsContact O-CE 3.28Å; M511-K516 WeakPolarHBondContact O-CE 3.32Å; D512-K516 WeakPolarHBondContact O-CG 3.36Å; D512-K516 PolarHBondContact O-N 3.31Å; E513-K516 PolarHBondContact O-N 3.21Å; E513-K516 IonicContact OE1-NZ 3.8Å; E513-K516 PolarHBondContact OE1-NZ 3.43Å; K516-A518 VanDerWaalsContact C-N 3.34Å; K516-A518 PolarHBondContact O-N 3.48Å; K516-A519 PolarHBondContact O-N 2.96Å; K516-R520 VanDerWaalsContact O-CG 3.3Å; K516-R520 WeakPolarHBondContact O-CG 3.42Å; K516-R520 PolarHBondContact O-N 3.18Å
517	E	97.3	Very high	96.8	Very high	136 Å²	136	56 Å²	56	64%	0.636	28%	0.281	S	S	*	.	H	α-helix	trans	-59.9	-43.3	176.1	-75.7	-179.3	-179.6	0	0	111.8	E513 A514 R520 A521	E513-E517 WeakPolarHBondContact O-CG 3.36Å; E513-E517 PolarHBondContact O-N 2.66Å; A514-E517 PolarHBondContact O-N 3.24Å; E517-R520 PolarHBondContact O-N 3.24Å; E517-A521 WeakPolarHBondContact O-CB 3.28Å; E517-A521 PolarHBondContact O-N 2.68Å
518	A	97.9	Very high	97	Very high	32 Å²	32	50.7 Å²	50.7	26%	0.264	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-44.3	176.2	0	0	0	0	0	112.3	A514 T515 K516 A521 K522 W654	A514-A518 WeakPolarHBondContact O-CB 3.39Å; A514-A518 PolarHBondContact O-N 2.89Å; T515-A518 PolarHBondContact O-N 3.22Å; K516-A518 VanDerWaalsContact C-N 3.34Å; K516-A518 PolarHBondContact O-N 3.48Å; A518-A521 WeakPolarHBondContact O-CB 3.49Å; A518-A521 PolarHBondContact O-N 2.88Å; A518-K522 PolarHBondContact O-N 3.43Å; A518-W654 HydrophobicContact CB-CE3 3.72Å; A518-W654 HydrophobicContact CB-CZ3 4.3Å
519	A	98.2	Very high	97.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-45	176.4	0	0	0	0	0	111.7	L505 M511 T515 K516 A521 K522 L523 Y638 W654	L505-A519 HydrophobicContact CD1-CB 4.04Å; L505-A519 HydrophobicContact CD2-CB 3.92Å; M511-A519 HydrophobicContact CE-CB 4.05Å; T515-A519 WeakPolarHBondContact O-CB 3.43Å; T515-A519 PolarHBondContact O-N 3.07Å; K516-A519 PolarHBondContact O-N 2.96Å; A519-A521 VanDerWaalsContact C-N 3.34Å; A519-A521 PolarHBondContact O-N 3.02Å; A519-K522 WeakPolarHBondContact O-CB 3.48Å; A519-K522 PolarHBondContact O-N 3.08Å; A519-K522 VanDerWaalsContact O-N 3.15Å; A519-L523 PolarHBondContact O-N 3.43Å; A519-Y638 HydrophobicContact CB-CD1 4.44Å; A519-Y638 HydrophobicContact CB-CE1 3.88Å; A519-Y638 PolarHBondContact O-OH 3.15Å; A519-Y638 VanDerWaalsContact O-OH 3.09Å; A519-W654 HydrophobicContact CB-CH2 4.34Å; A519-W654 HydrophobicContact CB-CZ3 4.1Å
520	R	97.9	Very high	97.1	Very high	92 Å²	92	45.7 Å²	45.7	35%	0.347	23%	0.232	S	C	.	.	H	α-helix	trans	-64.6	-37.3	175.4	-67.8	-179.4	73.4	-170.8	7.8	112.3	D502 L505 K516 E517 K522 L523 K524	D502-R520 IonicContact OD1-CZ 3.91Å; D502-R520 IonicContact OD1-NE 3.51Å; D502-R520 PolarHBondContact OD1-NE 3.24Å; D502-R520 IonicContact OD1-NH2 2.95Å; D502-R520 PolarHBondContact OD1-NH2 3.09Å; D502-R520 IonicContact OD2-CZ 3.66Å; D502-R520 IonicContact OD2-NE 3.88Å; D502-R520 IonicContact OD2-NH2 3.12Å; D502-R520 PolarHBondContact OD2-NH2 3.25Å; L505-R520 HydrophobicContact CB-CG 4.15Å; L505-R520 HydrophobicContact CD1-CG 3.86Å; K516-R520 VanDerWaalsContact O-CG 3.3Å; K516-R520 WeakPolarHBondContact O-CG 3.42Å; K516-R520 PolarHBondContact O-N 3.18Å; E517-R520 PolarHBondContact O-N 3.24Å; R520-K522 VanDerWaalsContact C-N 3.32Å; R520-K522 PolarHBondContact O-N 3.23Å; R520-L523 WeakPolarHBondContact O-CB 3.31Å; R520-L523 PolarHBondContact O-N 3.41Å; R520-K524 PolarHBondContact O-N 2.88Å
521	A	97.9	Very high	97.1	Very high	24 Å²	24	45.2 Å²	45.2	20%	0.198	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-39.6	173.3	0	0	0	0	0	111.5	E517 A518 A519 K524 H525	E517-A521 WeakPolarHBondContact O-CB 3.28Å; E517-A521 PolarHBondContact O-N 2.68Å; A518-A521 WeakPolarHBondContact O-CB 3.49Å; A518-A521 PolarHBondContact O-N 2.88Å; A519-A521 VanDerWaalsContact C-N 3.34Å; A519-A521 PolarHBondContact O-N 3.02Å; A521-K524 PolarHBondContact O-N 3.07Å; A521-H525 PolarHBondContact O-N 3.07Å; A521-H525 PolarHBondContact O-ND1 3.34Å
522	K	98.3	Very high	97	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-46	173.8	-177.8	171.5	-172.3	178.4	0	112.1	A518 A519 R520 K524 H525 M526 Y594 N599 G637 Y638 G642 Y645 R647 W654	A518-K522 PolarHBondContact O-N 3.43Å; A519-K522 WeakPolarHBondContact O-CB 3.48Å; A519-K522 PolarHBondContact O-N 3.08Å; A519-K522 VanDerWaalsContact O-N 3.15Å; R520-K522 VanDerWaalsContact C-N 3.32Å; R520-K522 PolarHBondContact O-N 3.23Å; K522-K524 VanDerWaalsContact C-N 3.31Å; K522-K524 PolarHBondContact O-N 3.4Å; K522-H525 PolarHBondContact O-N 3.01Å; K522-M526 PolarHBondContact O-N 3.22Å; K522-M526 VanDerWaalsContact O-N 3.1Å; K522-Y594 WeakPolarHBondContact CE-OH 3.37Å; K522-N599 PolarHBondContact O-ND2 3.18Å; K522-N599 VanDerWaalsContact O-ND2 3.07Å; K522-G637 VanDerWaalsContact CE-O 3.23Å; K522-G637 WeakPolarHBondContact CE-O 3.25Å; K522-G637 PolarHBondContact NZ-O 2.78Å; K522-Y638 HydrophobicContact CB-CE1 4.48Å; K522-Y638 HydrophobicContact CD-CE1 4.2Å; K522-G642 PolarHBondContact NZ-O 2.61Å; K522-Y645 WeakPolarHBondContact CE-O 3.28Å; K522-Y645 PolarHBondContact NZ-O 3.49Å; K522-R647 HydrophobicContact CB-CB 4.16Å; K522-W654 HydrophobicContact CD-CZ2 4.28Å
523	L	98.3	Very high	96.9	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-55.1	-46.1	175.1	-178.9	55.5	0	0	0	112.1	K498 L501 D502 L505 A519 R520 H525 M526 L634 Y638	K498-L523 HydrophobicContact CB-CD1 4.22Å; K498-L523 HydrophobicContact CG-CD1 4.07Å; L501-L523 HydrophobicContact CB-CD2 4.31Å; L501-L523 HydrophobicContact CD2-CD1 4.14Å; L501-L523 HydrophobicContact CD2-CD2 4.4Å; L501-L523 HydrophobicContact CG-CD2 4.27Å; D502-L523 HydrophobicContact CB-CD2 3.75Å; L505-L523 HydrophobicContact CD1-CD2 4.4Å; A519-L523 PolarHBondContact O-N 3.43Å; R520-L523 WeakPolarHBondContact O-CB 3.31Å; R520-L523 PolarHBondContact O-N 3.41Å; L523-H525 VanDerWaalsContact C-N 3.3Å; L523-H525 PolarHBondContact O-N 3.49Å; L523-M526 WeakPolarHBondContact O-CB 3.5Å; L523-M526 PolarHBondContact O-N 2.99Å; L523-L634 HydrophobicContact CD1-CD1 3.62Å; L523-Y638 WeakPolarHBondContact CA-OH 3.34Å; L523-Y638 VanDerWaalsContact CB-OH 3.3Å; L523-Y638 WeakPolarHBondContact CB-OH 3.41Å; L523-Y638 PolarHBondContact N-OH 3.3Å; L523-Y638 VanDerWaalsContact N-OH 3.11Å
524	K	97.4	Very high	96.5	Very high	176 Å²	176	43.8 Å²	43.8	77%	0.765	23%	0.225	S	C	*	.	H	α-helix	trans	-64.5	-32.8	-179.6	-174.4	177.4	179	180	0	113.1	R520 A521 K522	R520-K524 PolarHBondContact O-N 2.88Å; A521-K524 PolarHBondContact O-N 3.07Å; K522-K524 VanDerWaalsContact C-N 3.31Å; K522-K524 PolarHBondContact O-N 3.4Å
525	H	97.1	Very high	96.3	Very high	81 Å²	81	43.8 Å²	43.8	38%	0.375	21%	0.214	S	C	.	.	H	α-helix	trans	-87.1	-6.9	178.7	-72	76.1	0	0	0	113.2	A521 K522 L523 M527 R647	A521-H525 PolarHBondContact O-N 3.07Å; A521-H525 PolarHBondContact O-ND1 3.34Å; K522-H525 PolarHBondContact O-N 3.01Å; L523-H525 VanDerWaalsContact C-N 3.3Å; L523-H525 PolarHBondContact O-N 3.49Å; H525-M527 PolarHBondContact O-N 3.44Å; H525-R647 HydrophobicContact CB-CB 4.11Å; H525-R647 WeakPolarHBondContact CB-O 3.49Å
526	M	97.4	Very high	96	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.034	21%	0.214	C	C	.	.			trans	-67.8	123.8	-177.1	-169.5	179	-70.3	0	0	110.8	K522 L523 Y594 N599 M601 L634 Y638	K522-M526 PolarHBondContact O-N 3.22Å; K522-M526 VanDerWaalsContact O-N 3.1Å; L523-M526 WeakPolarHBondContact O-CB 3.5Å; L523-M526 PolarHBondContact O-N 2.99Å; M526-Y594 HydrophobicContact CE-CE2 3.78Å; M526-Y594 HydrophobicContact CG-CE2 4.4Å; M526-Y594 HydrophobicContact SD-CE2 4.18Å; M526-N599 CarbonylContact C-O 3.45Å; M526-N599 WeakPolarHBondContact CA-O 3.35Å; M526-N599 WeakPolarHBondContact CE-OD1 3.35Å; M526-N599 WeakPolarHBondContact CG-O 3.41Å; M526-N599 PolarHBondContact N-ND2 3.32Å; M526-M601 HydrophobicContact CG-CE 4.3Å; M526-M601 HydrophobicContact SD-CE 3.66Å; M526-M601 HydrophobicContact SD-CG 4.31Å; M526-M601 HydrophobicContact SD-SD 4.14Å; M526-L634 HydrophobicContact CE-CD1 3.84Å; M526-L634 HydrophobicContact SD-CD1 3.46Å; M526-L634 WeakPolarHBondContact SD-CD1 3.5Å; M526-Y638 HydrophobicContact CE-CE2 4.21Å
527	M	96.1	Very high	95.5	Very high	59 Å²	59	47.1 Å²	47.1	29%	0.291	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	143.8	177.8	-63.3	-166.9	-58.1	0	0	110.9	H525 K580 K598 N599 Q600 M601	H525-M527 PolarHBondContact O-N 3.44Å; M527-K580 HydrophobicContact CE-CB 3.69Å; M527-K580 WeakPolarHBondContact CE-O 3.47Å; M527-K598 HydrophobicContact CE-CB 4.45Å; M527-K598 WeakPolarHBondContact CE-O 3.22Å; M527-N599 PolarHBondContact N-O 3.28Å; M527-Q600 HydrophobicContact CB-CB 4.21Å; M527-Q600 HydrophobicContact CB-CG 4.1Å; M527-Q600 HydrophobicContact CE-CB 3.97Å; M527-Q600 HydrophobicContact CE-CG 4.18Å; M527-Q600 WeakPolarHBondContact O-CA 3.49Å; M527-M601 PolarHBondContact O-N 3.4Å
528	V	95.7	Very high	95.4	Very high	37 Å²	37	46.7 Å²	46.7	22%	0.224	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.2	-178.8	-173	0	0	0	0	109.3	V494 K498 M601 F603	V494-V528 HydrophobicContact CB-CG1 4.27Å; V494-V528 HydrophobicContact CG1-CB 4.4Å; V494-V528 HydrophobicContact CG1-CG1 3.66Å; V494-V528 HydrophobicContact CG1-CG2 3.94Å; V494-V528 HydrophobicContact CG2-CG1 4.1Å; K498-V528 HydrophobicContact CD-CG2 4.23Å; V528-M601 HydrophobicContact CB-CE 4.48Å; V528-M601 HydrophobicContact CB-CG 4.43Å; V528-M601 HydrophobicContact CG1-CE 4.5Å; V528-M601 HydrophobicContact CG1-CG 4.31Å; V528-M601 HydrophobicContact CG2-CE 3.37Å; V528-M601 HydrophobicContact CG2-CG 4.09Å; V528-M601 HydrophobicContact CG2-SD 4.41Å; V528-F603 HydrophobicContact CG1-CD2 4.43Å; V528-F603 HydrophobicContact CG1-CE2 4.26Å
529	M	95.3	Very high	95.1	Very high	42 Å²	42	47.3 Å²	47.3	21%	0.207	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.9	176.4	-51.8	-64	-77.5	0	0	109.5	W583 Q600 M601 V602 F603	M529-W583 HydrophobicContact CB-CH2 4.39Å; M529-W583 HydrophobicContact CB-CZ2 3.56Å; M529-W583 VanDerWaalsContact CE-NE1 3.33Å; M529-Q600 HydrophobicContact CG-CG 4.11Å; M529-M601 PolarHBondContact N-O 2.87Å; M529-V602 HydrophobicContact CB-CB 4.3Å; M529-V602 HydrophobicContact CB-CG1 4.06Å; M529-V602 HydrophobicContact CB-CG2 3.93Å; M529-V602 HydrophobicContact CG-CG2 4.09Å; M529-V602 CarbonylContact O-C 3.54Å; M529-V602 WeakPolarHBondContact O-CA 3.41Å; M529-F603 PolarHBondContact O-N 3.32Å
530	T	95.4	Very high	94.9	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.025	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.5	-173.4	-50.4	0	0	0	0	111.5	K487 V490 Y532 F603 L608	K487-T530 WeakPolarHBondContact CE-O 3.38Å; K487-T530 HydrophobicContact CG-CG2 4.39Å; V490-T530 HydrophobicContact CB-CG2 3.87Å; V490-T530 HydrophobicContact CG1-CG2 3.55Å; T530-Y532 VanDerWaalsContact C-N 3.32Å; T530-Y532 PolarHBondContact O-N 2.72Å; T530-F603 CarbonylContact C-O 3.59Å; T530-L608 HydrophobicContact CG2-CD1 4.12Å
531	G	95	Very high	94.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	77.3	-74.1	178.2	0	0	0	0	0	112.7	F603 P604 A605	G531-F603 PolarHBondContact N-O 3.09Å; G531-P604 CarbonylContact O-C 3.23Å; G531-A605 WeakPolarHBondContact O-CB 3.3Å; G531-A605 PolarHBondContact O-N 3.14Å
532	Y	95.1	Very high	94.5	Very high	23 Å²	23	51 Å²	51	9%	0.09	25%	0.246	C	C	.	.			trans	-160.9	154.7	-174.7	57.8	-92.6	0	0	0	112.1	V478 F482 K487 T530 L537 W583	V478-Y532 HydrophobicContact CB-CD1 3.85Å; V478-Y532 HydrophobicContact CB-CE1 4.31Å; V478-Y532 HydrophobicContact CB-CG 4.24Å; V478-Y532 HydrophobicContact CG1-CD1 3.81Å; V478-Y532 HydrophobicContact CG1-CG 4.08Å; V478-Y532 HydrophobicContact CG2-CD1 4.23Å; V478-Y532 HydrophobicContact CG2-CG 4.19Å; F482-Y532 AromaticContact CD1-CD1 3.81Å; F482-Y532 HydrophobicContact CD1-CD1 3.81Å; F482-Y532 AromaticContact CD1-CE1 3.68Å; F482-Y532 HydrophobicContact CD1-CE1 3.68Å; F482-Y532 HydrophobicContact CE1-CD1 4.08Å; F482-Y532 AromaticContact CE1-CE1 4Å; F482-Y532 HydrophobicContact CE1-CE1 4Å; K487-Y532 PolarHBondContact NZ-O 2.83Å; T530-Y532 VanDerWaalsContact C-N 3.32Å; T530-Y532 PolarHBondContact O-N 2.72Å; Y532-L537 HydrophobicContact CE2-CD1 3.87Å; Y532-L537 HydrophobicContact CE2-CD2 3.85Å; Y532-L537 HydrophobicContact CE2-CG 3.84Å; Y532-W583 VanDerWaalsContact CA-CH2 3.49Å
533	P	93.7	Very high	94.4	Very high	7 Å²	7	51.8 Å²	51.8	5%	0.045	25%	0.25	C	C	.	.			trans	-75.4	140.6	171.5	25.8	-25.2	0	0	0	111.4	M471 F535 L536 W583	M471-P533 HydrophobicContact CE-CG 3.58Å; P533-F535 HydrophobicContact CB-CD1 3.72Å; P533-F535 HydrophobicContact CB-CE1 3.75Å; P533-F535 HydrophobicContact CG-CD1 3.98Å; P533-F535 HydrophobicContact CG-CE1 3.55Å; P533-F535 HydrophobicContact CG-CZ 4.4Å; P533-F535 PolarHBondContact O-N 3.06Å; P533-F535 VanDerWaalsContact O-N 3.14Å; P533-L536 HydrophobicContact CG-CD1 3.96Å; P533-L536 HydrophobicContact CG-CG 3.98Å; P533-L536 WeakPolarHBondContact O-CB 3.26Å; P533-L536 PolarHBondContact O-N 3.02Å; P533-L536 VanDerWaalsContact O-N 3.09Å; P533-W583 HydrophobicContact CG-CD2 4.13Å; P533-W583 HydrophobicContact CG-CG 4.18Å
534	D	89.8	Confident	94.1	Very high	108 Å²	108	57.7 Å²	57.7	58%	0.578	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-65.8	-22.7	-168.2	-62.4	-24.1	0	0	0	113.6	K487 L536 L537	K487-D534 IonicContact NZ-OD1 3.84Å; K487-D534 PolarHBondContact NZ-OD1 2.91Å; D534-L536 PolarHBondContact O-N 3.36Å; D534-L537 PolarHBondContact O-N 3Å; D534-L537 VanDerWaalsContact O-N 3.16Å
535	F	91.9	Very high	93.8	Very high	62 Å²	62	53.6 Å²	53.6	27%	0.272	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-63.3	-21.7	176.2	83.9	-94.2	0	0	0	112.9	M471 P533 L537 K538 L541 E545	M471-F535 HydrophobicContact CE-CE1 3.78Å; M471-F535 HydrophobicContact CE-CZ 3.55Å; P533-F535 HydrophobicContact CB-CD1 3.72Å; P533-F535 HydrophobicContact CB-CE1 3.75Å; P533-F535 HydrophobicContact CG-CD1 3.98Å; P533-F535 HydrophobicContact CG-CE1 3.55Å; P533-F535 HydrophobicContact CG-CZ 4.4Å; P533-F535 PolarHBondContact O-N 3.06Å; P533-F535 VanDerWaalsContact O-N 3.14Å; F535-L537 PolarHBondContact O-N 2.86Å; F535-L537 VanDerWaalsContact O-N 3.15Å; F535-K538 PolarHBondContact O-N 2.78Å; F535-L541 HydrophobicContact CB-CB 4.47Å; F535-L541 HydrophobicContact CB-CD1 3.82Å; F535-L541 HydrophobicContact CD2-CB 4.2Å; F535-E545 HydrophobicContact CE2-CG 4.31Å
536	L	92.2	Very high	93.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-68.2	-10	176.6	-62.6	-174.6	0	0	0	114	M471 A475 P533 D534 K538 I542 P587	M471-L536 HydrophobicContact CB-CD2 4.01Å; M471-L536 HydrophobicContact CE-CD1 4.42Å; M471-L536 HydrophobicContact CE-CD2 4.32Å; A475-L536 HydrophobicContact CB-CB 4.24Å; P533-L536 HydrophobicContact CG-CD1 3.96Å; P533-L536 HydrophobicContact CG-CG 3.98Å; P533-L536 WeakPolarHBondContact O-CB 3.26Å; P533-L536 PolarHBondContact O-N 3.02Å; P533-L536 VanDerWaalsContact O-N 3.09Å; D534-L536 PolarHBondContact O-N 3.36Å; L536-K538 VanDerWaalsContact C-N 3.3Å; L536-I542 HydrophobicContact CD2-CD1 4.32Å; L536-I542 HydrophobicContact CD2-CG1 4Å; L536-I542 WeakPolarHBondContact O-CD1 3.09Å; L536-P587 HydrophobicContact CD1-CG 3.25Å
537	L	87.9	Confident	93.5	Very high	90 Å²	90	52.5 Å²	52.5	47%	0.471	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-85.8	-7.2	172.3	-56.5	-175.5	0	0	0	112.4	Y532 D534 F535	Y532-L537 HydrophobicContact CE2-CD1 3.87Å; Y532-L537 HydrophobicContact CE2-CD2 3.85Å; Y532-L537 HydrophobicContact CE2-CG 3.84Å; D534-L537 PolarHBondContact O-N 3Å; D534-L537 VanDerWaalsContact O-N 3.16Å; F535-L537 PolarHBondContact O-N 2.86Å; F535-L537 VanDerWaalsContact O-N 3.15Å
538	K	93.9	Very high	93.5	Very high	126 Å²	126	50.3 Å²	50.3	55%	0.548	26%	0.257	S	S	.	.			trans	-112	105.7	-178.8	-61.1	178	-178.7	177.4	0	109.6	F535 L536 E540 L541 I542	F535-K538 PolarHBondContact O-N 2.78Å; L536-K538 VanDerWaalsContact C-N 3.3Å; K538-E540 VanDerWaalsContact C-N 3.25Å; K538-E540 PolarHBondContact O-N 3.04Å; K538-L541 HydrophobicContact CB-CB 4.35Å; K538-L541 HydrophobicContact CB-CD1 4.01Å; K538-L541 HydrophobicContact CB-CG 4.06Å; K538-L541 HydrophobicContact CD-CD1 3.68Å; K538-L541 HydrophobicContact CD-CG 4.43Å; K538-L541 HydrophobicContact CG-CD1 4.46Å; K538-L541 PolarHBondContact O-N 2.82Å; K538-L541 VanDerWaalsContact O-N 3.14Å; K538-I542 PolarHBondContact O-N 3.46Å
539	D	93.6	Very high	93.5	Very high	46 Å²	46	54.7 Å²	54.7	25%	0.246	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-36.3	-173	-79.2	-10.3	0	0	0	112.9	R184 K479 L541 I542 D543	R184-D539 WeakPolarHBondContact CD-OD2 3.47Å; R184-D539 IonicContact NE-OD2 3.95Å; K479-D539 IonicContact NZ-OD1 3.49Å; K479-D539 PolarHBondContact NZ-OD1 3.38Å; K479-D539 IonicContact NZ-OD2 3.39Å; D539-L541 VanDerWaalsContact C-N 3.33Å; D539-L541 PolarHBondContact O-N 3.09Å; D539-I542 PolarHBondContact O-N 2.93Å; D539-D543 PolarHBondContact O-N 3.45Å
540	E	93.3	Very high	93.6	Very high	125 Å²	125	53.5 Å²	53.5	58%	0.584	27%	0.274	S	S	*	.	H	α-helix	trans	-66.6	-33.5	-179.7	-57.8	75.1	-161.5	0	0	112.6	K538 Q544	K538-E540 VanDerWaalsContact C-N 3.25Å; K538-E540 PolarHBondContact O-N 3.04Å; E540-Q544 WeakPolarHBondContact O-CG 3.38Å; E540-Q544 PolarHBondContact O-N 3.46Å
541	L	93.5	Very high	93.6	Very high	61 Å²	61	57.1 Å²	57.1	32%	0.319	29%	0.293	S	S	.	.	H	α-helix	trans	-74.1	-36.2	178.5	-63.7	-176.8	0	0	0	111.1	F535 K538 D539 Q544	F535-L541 HydrophobicContact CB-CB 4.47Å; F535-L541 HydrophobicContact CB-CD1 3.82Å; F535-L541 HydrophobicContact CD2-CB 4.2Å; K538-L541 HydrophobicContact CB-CB 4.35Å; K538-L541 HydrophobicContact CB-CD1 4.01Å; K538-L541 HydrophobicContact CB-CG 4.06Å; K538-L541 HydrophobicContact CD-CD1 3.68Å; K538-L541 HydrophobicContact CD-CG 4.43Å; K538-L541 HydrophobicContact CG-CD1 4.46Å; K538-L541 PolarHBondContact O-N 2.82Å; K538-L541 VanDerWaalsContact O-N 3.14Å; D539-L541 VanDerWaalsContact C-N 3.33Å; D539-L541 PolarHBondContact O-N 3.09Å; L541-Q544 PolarHBondContact O-N 3.22Å
542	I	94.6	Very high	93.6	Very high	6 Å²	6	62.5 Å²	62.5	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-66.4	-42.2	175	-57.5	163.3	0	0	0	110.1	A190 A472 A475 L536 K538 D539 Q544 E545 Y546	A190-I542 HydrophobicContact CB-CB 4.49Å; A190-I542 HydrophobicContact CB-CG2 3.59Å; A472-I542 HydrophobicContact CB-CG2 4.11Å; A475-I542 HydrophobicContact CB-CD1 3.35Å; L536-I542 HydrophobicContact CD2-CD1 4.32Å; L536-I542 HydrophobicContact CD2-CG1 4Å; L536-I542 WeakPolarHBondContact O-CD1 3.09Å; K538-I542 PolarHBondContact O-N 3.46Å; D539-I542 PolarHBondContact O-N 2.93Å; I542-Q544 PolarHBondContact O-N 3.16Å; I542-E545 WeakPolarHBondContact O-CB 3.31Å; I542-E545 PolarHBondContact O-N 3.06Å; I542-Y546 HydrophobicContact CG2-CD2 4.16Å; I542-Y546 HydrophobicContact CG2-CE2 3.93Å; I542-Y546 VanDerWaalsContact O-CD2 3.26Å; I542-Y546 WeakPolarHBondContact O-CD2 3.47Å
543	D	95.3	Very high	93.6	Very high	19 Å²	19	68 Å²	68	10%	0.102	34%	0.341	C	S	.	.	H	α-helix	trans	-58.7	-34.6	-179.9	-68.4	-9	0	0	0	112.2	R184 D188 S189 A190 D539 E545 Y546	R184-D543 IonicContact CZ-OD1 2.88Å; R184-D543 IonicContact CZ-OD2 3.58Å; R184-D543 IonicContact NH1-OD1 2.77Å; R184-D543 PolarHBondContact NH1-OD1 2.89Å; R184-D543 IonicContact NH1-OD2 3.19Å; R184-D543 PolarHBondContact NH1-OD2 3.39Å; R184-D543 IonicContact NH2-OD1 2.64Å; R184-D543 IonicContact NH2-OD2 3.14Å; R184-D543 PolarHBondContact NH2-OD2 3.37Å; D188-D543 HydrophobicContact CB-CB 4.47Å; D188-D543 WeakPolarHBondContact O-CB 3.36Å; S189-D543 WeakPolarHBondContact CA-OD1 3.36Å; A190-D543 PolarHBondContact N-OD1 2.98Å; D539-D543 PolarHBondContact O-N 3.45Å; D543-E545 VanDerWaalsContact C-N 3.32Å; D543-E545 PolarHBondContact O-N 3.19Å; D543-Y546 CarbonylContact O-C 3.51Å; D543-Y546 PolarHBondContact O-N 2.52Å
544	Q	91.5	Very high	93.7	Very high	133 Å²	133	70 Å²	70	62%	0.621	35%	0.353	S	S	*	.	H	α-helix	trans	-65.7	-31	176.7	-69.3	171.6	22.5	0	0	113.3	E540 L541 I542 Y546	E540-Q544 WeakPolarHBondContact O-CG 3.38Å; E540-Q544 PolarHBondContact O-N 3.46Å; L541-Q544 PolarHBondContact O-N 3.22Å; I542-Q544 PolarHBondContact O-N 3.16Å; Q544-Y546 PolarHBondContact O-N 3.43Å
545	E	90.9	Very high	94.1	Very high	89 Å²	89	65.1 Å²	65.1	42%	0.416	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.7	176	-63.9	-61.5	138.9	0	0	112.9	F535 I542 D543 F565	F535-E545 HydrophobicContact CE2-CG 4.31Å; I542-E545 WeakPolarHBondContact O-CB 3.31Å; I542-E545 PolarHBondContact O-N 3.06Å; D543-E545 VanDerWaalsContact C-N 3.32Å; D543-E545 PolarHBondContact O-N 3.19Å; E545-F565 VanDerWaalsContact O-CE1 3.26Å; E545-F565 WeakPolarHBondContact O-CE1 3.27Å
546	Y	95.1	Very high	94.4	Very high	18 Å²	18	63 Å²	63	7%	0.071	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	45.7	-176.4	-58.9	-74.9	0	0	0	112.1	A190 K193 H468 F469 M471 A472 I542 D543 Q544 F548	A190-Y546 HydrophobicContact CB-CD2 3.69Å; A190-Y546 HydrophobicContact CB-CE2 4.39Å; A190-Y546 HydrophobicContact CB-CG 4.42Å; K193-Y546 WeakPolarHBondContact CD-O 3.44Å; K193-Y546 PolarHBondContact NZ-O 3.37Å; H468-Y546 VanDerWaalsContact O-CE1 3.31Å; H468-Y546 WeakPolarHBondContact O-CE1 3.2Å; F469-Y546 HydrophobicContact CB-CE1 4.22Å; F469-Y546 AromaticContact CD1-CD1 3.39Å; F469-Y546 HydrophobicContact CD1-CD1 3.39Å; F469-Y546 AromaticContact CD1-CE1 3.65Å; F469-Y546 HydrophobicContact CD1-CE1 3.65Å; F469-Y546 AromaticContact CD1-CG 3.89Å; F469-Y546 HydrophobicContact CD1-CG 3.89Å; F469-Y546 AromaticContact CE1-CD1 3.64Å; F469-Y546 HydrophobicContact CE1-CD1 3.64Å; F469-Y546 HydrophobicContact CE1-CE1 4.32Å; F469-Y546 HydrophobicContact CE1-CG 4.04Å; F469-Y546 HydrophobicContact CG-CD1 4.28Å; F469-Y546 HydrophobicContact CG-CE1 4.16Å; M471-Y546 WeakPolarHBondContact CB-OH 2.86Å; M471-Y546 PolarHBondContact N-OH 2.81Å; M471-Y546 VanDerWaalsContact N-OH 3.07Å; A472-Y546 HydrophobicContact CB-CD2 4.17Å; A472-Y546 HydrophobicContact CB-CE2 3.6Å; A472-Y546 PolarHBondContact N-OH 3.05Å; I542-Y546 HydrophobicContact CG2-CD2 4.16Å; I542-Y546 HydrophobicContact CG2-CE2 3.93Å; I542-Y546 VanDerWaalsContact O-CD2 3.26Å; I542-Y546 WeakPolarHBondContact O-CD2 3.47Å; D543-Y546 CarbonylContact O-C 3.51Å; D543-Y546 PolarHBondContact O-N 2.52Å; Q544-Y546 PolarHBondContact O-N 3.43Å; Y546-F548 AromaticContact CD1-CE1 3.97Å; Y546-F548 HydrophobicContact CD1-CE1 3.97Å; Y546-F548 HydrophobicContact CD1-CZ 4.45Å; Y546-F548 PolarHBondContact O-N 3.05Å
547	G	93.8	Very high	94.7	Very high	47 Å²	47	69 Å²	69	49%	0.485	34%	0.344	S	S	.	.			trans	-69.7	32.6	-179.5	0	0	0	0	0	116.5
548	F	95.7	Very high	95.2	Very high	14 Å²	14	64.8 Å²	64.8	6%	0.061	32%	0.322	C	S	.	.	S	Bend	trans	-122	161.4	174.9	64.3	-88	0	0	0	112.3	K193 F469 Y546 V550 N561 F565	K193-F548 WeakPolarHBondContact CE-O 3.39Å; K193-F548 PolarHBondContact NZ-O 3.23Å; F469-F548 HydrophobicContact CE1-CE1 4.33Å; F469-F548 HydrophobicContact CE1-CE2 4.28Å; F469-F548 AromaticContact CE1-CZ 3.67Å; F469-F548 HydrophobicContact CE1-CZ 3.67Å; F469-F548 HydrophobicContact CE2-CE2 4.27Å; F469-F548 AromaticContact CE2-CZ 3.92Å; F469-F548 HydrophobicContact CE2-CZ 3.92Å; F469-F548 HydrophobicContact CZ-CE1 4.27Å; F469-F548 AromaticContact CZ-CE2 3.54Å; F469-F548 HydrophobicContact CZ-CE2 3.54Å; F469-F548 AromaticContact CZ-CZ 3.22Å; F469-F548 HydrophobicContact CZ-CZ 3.22Å; Y546-F548 AromaticContact CD1-CE1 3.97Å; Y546-F548 HydrophobicContact CD1-CE1 3.97Å; Y546-F548 HydrophobicContact CD1-CZ 4.45Å; Y546-F548 PolarHBondContact O-N 3.05Å; F548-V550 HydrophobicContact CD2-CG2 4.07Å; F548-V550 HydrophobicContact CE2-CG2 3.72Å; F548-N561 HydrophobicContact CD2-CB 4.01Å; F548-F565 HydrophobicContact CB-CB 4Å; F548-F565 HydrophobicContact CB-CD2 4.18Å; F548-F565 HydrophobicContact CB-CG 4.14Å; F548-F565 HydrophobicContact CD1-CB 3.78Å; F548-F565 AromaticContact CD1-CD1 3.67Å; F548-F565 HydrophobicContact CD1-CD1 3.67Å; F548-F565 HydrophobicContact CD1-CD2 4.34Å; F548-F565 HydrophobicContact CD1-CE1 4.33Å; F548-F565 AromaticContact CD1-CG 3.67Å; F548-F565 HydrophobicContact CD1-CG 3.67Å; F548-F565 HydrophobicContact CE1-CD1 4.19Å; F548-F565 HydrophobicContact CG-CB 4.14Å; F548-F565 HydrophobicContact CG-CG 4.33Å
549	D	95.6	Very high	95.3	Very high	129 Å²	129	58.9 Å²	58.9	69%	0.69	30%	0.296	S	S	*	.			trans	-81.8	137.2	-178.8	-68.1	-37.3	0	0	0	112.3	N561	D549-N561 PolarHBondContact O-ND2 3.46Å
550	V	97.6	Very high	95.5	Very high	17 Å²	17	58.6 Å²	58.6	10%	0.103	29%	0.294	C	S	.	.			trans	-124.8	138.4	172.7	179	0	0	0	0	108.9	K193 E196 F197 F469 F548	K193-V550 HydrophobicContact CB-CB 4.27Å; K193-V550 HydrophobicContact CB-CG2 3.9Å; K193-V550 HydrophobicContact CD-CG2 4.46Å; K193-V550 HydrophobicContact CG-CB 4.27Å; K193-V550 HydrophobicContact CG-CG2 4.09Å; K193-V550 WeakPolarHBondContact O-CG1 3.31Å; E196-V550 HydrophobicContact CB-CG1 4.06Å; F197-V550 HydrophobicContact CB-CG1 3.97Å; F469-V550 HydrophobicContact CE1-CG2 4.43Å; F469-V550 HydrophobicContact CZ-CG2 3.67Å; F548-V550 HydrophobicContact CD2-CG2 4.07Å; F548-V550 HydrophobicContact CE2-CG2 3.72Å
551	N	95.6	Very high	95.7	Very high	80 Å²	80	54.7 Å²	54.7	43%	0.428	28%	0.277	S	S	.	.			trans	-131.1	130.5	172.2	-174.5	-56.3	0	0	0	110.9	K553 T554 N558	N551-K553 PolarHBondContact O-N 3.45Å; N551-K553 WeakPolarHBondContact OD1-CB 3.48Å; N551-K553 PolarHBondContact OD1-N 3.07Å; N551-T554 WeakPolarHBondContact CB-OG1 3.28Å; N551-T554 PolarHBondContact O-N 3.44Å; N551-T554 VanDerWaalsContact O-N 3.14Å; N551-N558 PolarHBondContact N-OD1 3.1Å; N551-N558 PolarHBondContact O-ND2 2.89Å
552	K	95.4	Very high	95.9	Very high	113 Å²	113	51.8 Å²	51.8	49%	0.491	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-7.7	-179.4	70.7	-175.2	179.1	-174.4	0	116	E196 S200	E196-K552 HydrophobicContact CB-CB 4.18Å; E196-K552 HydrophobicContact CG-CB 4.3Å; S200-K552 WeakPolarHBondContact CA-O 3.16Å; S200-K552 WeakPolarHBondContact CB-O 3.38Å
553	K	95.4	Very high	96	Very high	138 Å²	138	52.5 Å²	52.5	60%	0.6	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-5.5	180	-62.2	-171.1	175.6	-174.8	0	114.6	N551	N551-K553 PolarHBondContact O-N 3.45Å; N551-K553 WeakPolarHBondContact OD1-CB 3.48Å; N551-K553 PolarHBondContact OD1-N 3.07Å
554	T	95.4	Very high	96	Very high	49 Å²	49	58.8 Å²	58.8	30%	0.301	29%	0.292	S	S	.	.			trans	-127.6	67	-171.5	61.7	0	0	0	0	112.2	N551 F556 K557 N558	N551-T554 WeakPolarHBondContact CB-OG1 3.28Å; N551-T554 PolarHBondContact O-N 3.44Å; N551-T554 VanDerWaalsContact O-N 3.14Å; T554-F556 PolarHBondContact O-N 3.4Å; T554-K557 PolarHBondContact O-N 3.47Å; T554-N558 PolarHBondContact O-N 3.25Å; T554-N558 PolarHBondContact O-ND2 3.25Å; T554-N558 PolarHBondContact O-OD1 2.93Å; T554-N558 PolarHBondContact OG1-OD1 2.97Å
555	Y	98	Very high	96.3	Very high	6 Å²	6	53.5 Å²	53.5	2%	0.024	27%	0.267	C	S	.	.	H	α-helix	trans	-55.3	-54.8	-175	175.7	-118.4	0	0	0	113.7	F197 C201 I207 H432 Q464 K557 N558 I559	F197-Y555 HydrophobicContact CE1-CE2 4.13Å; F197-Y555 HydrophobicContact CE2-CE2 4.28Å; F197-Y555 HydrophobicContact CZ-CD2 4.44Å; F197-Y555 AromaticContact CZ-CE2 3.78Å; F197-Y555 HydrophobicContact CZ-CE2 3.78Å; C201-Y555 HydrophobicContact CB-CD2 3.55Å; C201-Y555 HydrophobicContact CB-CE2 3.48Å; C201-Y555 VanDerWaalsContact CB-CE2 3.48Å; C201-Y555 HydrophobicContact CB-CG 4.24Å; I207-Y555 HydrophobicContact CD1-CD1 3.72Å; I207-Y555 HydrophobicContact CD1-CE1 4.5Å; I207-Y555 HydrophobicContact CD1-CG 4.14Å; I207-Y555 HydrophobicContact CG1-CD1 4.44Å; H432-Y555 HydrophobicContact CB-CE1 3.83Å; H432-Y555 AromaticContact ND1-CZ 3.91Å; H432-Y555 PolarHBondContact ND1-OH 3.1Å; H432-Y555 VanDerWaalsContact ND1-OH 3.11Å; Q464-Y555 WeakPolarHBondContact CG-OH 3.41Å; Y555-K557 VanDerWaalsContact C-N 3.29Å; Y555-K557 PolarHBondContact O-N 3.43Å; Y555-N558 WeakPolarHBondContact O-CA 3.13Å; Y555-N558 WeakPolarHBondContact O-CB 3.43Å; Y555-N558 PolarHBondContact O-N 3.36Å; Y555-I559 HydrophobicContact CE1-CG1 4.47Å; Y555-I559 HydrophobicContact CE2-CD1 3.92Å; Y555-I559 HydrophobicContact CE2-CG1 4.06Å; Y555-I559 PolarHBondContact O-N 3.27Å; Y555-I559 VanDerWaalsContact O-N 3.09Å
556	F	98.1	Very high	96.4	Very high	16 Å²	16	52.8 Å²	52.8	7%	0.07	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-40.1	-179.3	-167.6	-92.6	0	0	0	112.3	P214 V218 L429 H432 L433 T554 N558 I559 L560	P214-F556 HydrophobicContact CB-CB 4.03Å; P214-F556 HydrophobicContact CB-CD1 3.34Å; P214-F556 HydrophobicContact CB-CD2 4.17Å; P214-F556 HydrophobicContact CB-CE1 3.71Å; P214-F556 HydrophobicContact CB-CE2 4.49Å; P214-F556 HydrophobicContact CB-CG 3.58Å; P214-F556 HydrophobicContact CB-CZ 4.28Å; P214-F556 HydrophobicContact CG-CB 4.44Å; P214-F556 HydrophobicContact CG-CG 4.43Å; P214-F556 WeakPolarHBondContact O-CE1 3.47Å; V218-F556 HydrophobicContact CG2-CE1 3.89Å; V218-F556 HydrophobicContact CG2-CZ 4.27Å; L429-F556 HydrophobicContact CB-CE2 4.18Å; L429-F556 HydrophobicContact CB-CZ 4.24Å; L429-F556 HydrophobicContact CD1-CZ 4.16Å; H432-F556 HydrophobicContact CB-CD2 3.89Å; H432-F556 HydrophobicContact CB-CE2 4.28Å; L433-F556 HydrophobicContact CD2-CD2 3.7Å; L433-F556 HydrophobicContact CD2-CE2 3.59Å; L433-F556 HydrophobicContact CD2-CZ 4.37Å; L433-F556 HydrophobicContact CG-CD2 4.48Å; L433-F556 HydrophobicContact CG-CE2 4.2Å; T554-F556 PolarHBondContact O-N 3.4Å; F556-N558 VanDerWaalsContact C-N 3.35Å; F556-N558 PolarHBondContact O-N 2.87Å; F556-I559 WeakPolarHBondContact O-CB 3.18Å; F556-I559 PolarHBondContact O-N 3.48Å; F556-L560 HydrophobicContact CD1-CD1 4Å; F556-L560 HydrophobicContact CD1-CG 4.26Å; F556-L560 HydrophobicContact CE1-CD1 3.77Å; F556-L560 HydrophobicContact CE1-CD2 4.42Å; F556-L560 HydrophobicContact CE1-CG 4.13Å; F556-L560 PolarHBondContact O-N 2.93Å; F556-L560 VanDerWaalsContact O-N 3.14Å
557	K	97.7	Very high	96.4	Very high	128 Å²	128	53 Å²	53	56%	0.557	27%	0.268	S	S	*	.	H	α-helix	trans	-65.3	-37.2	174.9	-171.9	176.4	-179.2	177.3	0	112.3	T554 Y555 I559 L560 N561	T554-K557 PolarHBondContact O-N 3.47Å; Y555-K557 VanDerWaalsContact C-N 3.29Å; Y555-K557 PolarHBondContact O-N 3.43Å; K557-I559 VanDerWaalsContact C-N 3.3Å; K557-I559 PolarHBondContact O-N 3.43Å; K557-L560 PolarHBondContact O-N 2.93Å; K557-N561 WeakPolarHBondContact O-CB 3.46Å; K557-N561 VanDerWaalsContact O-CG 3.26Å; K557-N561 PolarHBondContact O-N 2.98Å; K557-N561 PolarHBondContact O-OD1 3.5Å
558	N	98.3	Very high	96.3	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-38.6	176.1	-60.7	-26.1	0	0	0	111.2	F197 S200 N551 T554 Y555 F556 N561 S562	F197-N558 HydrophobicContact CD2-CB 3.75Å; F197-N558 HydrophobicContact CE2-CB 3.98Å; S200-N558 PolarHBondContact OG-ND2 3.47Å; N551-N558 PolarHBondContact N-OD1 3.1Å; N551-N558 PolarHBondContact O-ND2 2.89Å; T554-N558 PolarHBondContact O-N 3.25Å; T554-N558 PolarHBondContact O-ND2 3.25Å; T554-N558 PolarHBondContact O-OD1 2.93Å; T554-N558 PolarHBondContact OG1-OD1 2.97Å; Y555-N558 WeakPolarHBondContact O-CA 3.13Å; Y555-N558 WeakPolarHBondContact O-CB 3.43Å; Y555-N558 PolarHBondContact O-N 3.36Å; F556-N558 VanDerWaalsContact C-N 3.35Å; F556-N558 PolarHBondContact O-N 2.87Å; N558-N561 PolarHBondContact O-N 3.25Å; N558-S562 PolarHBondContact O-N 3.49Å
559	I	97.8	Very high	96.2	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-59.2	-53.1	173	-62.1	-69.4	0	0	0	110.2	F197 H432 H468 Y555 F556 K557 N561 S562 I563	F197-I559 HydrophobicContact CE2-CD1 3.86Å; F197-I559 HydrophobicContact CE2-CG1 4.49Å; F197-I559 HydrophobicContact CZ-CD1 3.57Å; H432-I559 HydrophobicContact CB-CG1 4.4Å; H468-I559 WeakPolarHBondContact NE2-CD1 3.25Å; Y555-I559 HydrophobicContact CE1-CG1 4.47Å; Y555-I559 HydrophobicContact CE2-CD1 3.92Å; Y555-I559 HydrophobicContact CE2-CG1 4.06Å; Y555-I559 PolarHBondContact O-N 3.27Å; Y555-I559 VanDerWaalsContact O-N 3.09Å; F556-I559 WeakPolarHBondContact O-CB 3.18Å; F556-I559 PolarHBondContact O-N 3.48Å; K557-I559 VanDerWaalsContact C-N 3.3Å; K557-I559 PolarHBondContact O-N 3.43Å; I559-N561 VanDerWaalsContact C-N 3.33Å; I559-N561 PolarHBondContact O-N 2.86Å; I559-S562 PolarHBondContact O-N 3.4Å; I559-S562 VanDerWaalsContact O-N 3.15Å; I559-I563 HydrophobicContact CG2-CD1 3.76Å; I559-I563 HydrophobicContact CG2-CG1 4.41Å; I559-I563 WeakPolarHBondContact O-CG1 3.37Å; I559-I563 PolarHBondContact O-N 2.91Å
560	L	97.7	Very high	96	Very high	40 Å²	40	54.1 Å²	54.1	21%	0.209	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-40.2	179.7	-64.4	-176.7	0	0	0	112.8	V218 F259 L429 F556 K557 S562 I563 K564	V218-L560 HydrophobicContact CG2-CD1 4.13Å; F259-L560 HydrophobicContact CD1-CD2 3.97Å; F259-L560 HydrophobicContact CE1-CD2 4.14Å; L429-L560 HydrophobicContact CD1-CD2 4.15Å; L429-L560 HydrophobicContact CD2-CD2 4.47Å; F556-L560 HydrophobicContact CD1-CD1 4Å; F556-L560 HydrophobicContact CD1-CG 4.26Å; F556-L560 HydrophobicContact CE1-CD1 3.77Å; F556-L560 HydrophobicContact CE1-CD2 4.42Å; F556-L560 HydrophobicContact CE1-CG 4.13Å; F556-L560 PolarHBondContact O-N 2.93Å; F556-L560 VanDerWaalsContact O-N 3.14Å; K557-L560 PolarHBondContact O-N 2.93Å; L560-S562 VanDerWaalsContact C-N 3.34Å; L560-S562 PolarHBondContact O-N 3.32Å; L560-I563 PolarHBondContact O-N 2.84Å; L560-K564 WeakPolarHBondContact O-CB 3.36Å; L560-K564 PolarHBondContact O-N 3.24Å
561	N	97.8	Very high	95.9	Very high	43 Å²	43	54.2 Å²	54.2	23%	0.23	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-43.2	175.6	-76.2	-6.1	0	0	0	111.7	F548 D549 K557 N558 I559 F565	F548-N561 HydrophobicContact CD2-CB 4.01Å; D549-N561 PolarHBondContact O-ND2 3.46Å; K557-N561 WeakPolarHBondContact O-CB 3.46Å; K557-N561 VanDerWaalsContact O-CG 3.26Å; K557-N561 PolarHBondContact O-N 2.98Å; K557-N561 PolarHBondContact O-OD1 3.5Å; N558-N561 PolarHBondContact O-N 3.25Å; I559-N561 VanDerWaalsContact C-N 3.33Å; I559-N561 PolarHBondContact O-N 2.86Å; N561-F565 WeakPolarHBondContact O-CB 3.4Å; N561-F565 PolarHBondContact O-N 3.16Å
562	S	97.3	Very high	95.7	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-44.2	177.7	-179.4	0	0	0	0	111.8	H468 N558 I559 L560 K564 F565 N566	H468-S562 VanDerWaalsContact ND1-CB 3.28Å; H468-S562 WeakPolarHBondContact ND1-CB 3.38Å; H468-S562 PolarHBondContact ND1-OG 3.48Å; N558-S562 PolarHBondContact O-N 3.49Å; I559-S562 PolarHBondContact O-N 3.4Å; I559-S562 VanDerWaalsContact O-N 3.15Å; L560-S562 VanDerWaalsContact C-N 3.34Å; L560-S562 PolarHBondContact O-N 3.32Å; S562-K564 PolarHBondContact O-N 3.24Å; S562-F565 PolarHBondContact O-N 2.96Å; S562-N566 WeakPolarHBondContact O-CB 3.47Å; S562-N566 PolarHBondContact O-N 3.34Å
563	I	96.5	Very high	95.6	Very high	22 Å²	22	54.3 Å²	54.3	11%	0.113	26%	0.256	C	S	.	.	H	α-helix	trans	-56.9	-51.6	175.6	-69.3	169.9	0	0	0	110.4	L429 I559 L560 F565 N566 I567	L429-I563 HydrophobicContact CD2-CD1 4.09Å; I559-I563 HydrophobicContact CG2-CD1 3.76Å; I559-I563 HydrophobicContact CG2-CG1 4.41Å; I559-I563 WeakPolarHBondContact O-CG1 3.37Å; I559-I563 PolarHBondContact O-N 2.91Å; L560-I563 PolarHBondContact O-N 2.84Å; I563-F565 VanDerWaalsContact C-N 3.27Å; I563-F565 PolarHBondContact O-N 2.9Å; I563-N566 PolarHBondContact O-N 2.82Å; I563-N566 VanDerWaalsContact O-N 3.16Å; I563-I567 HydrophobicContact CG2-CD1 4.01Å; I563-I567 WeakPolarHBondContact O-CG1 3.39Å; I563-I567 PolarHBondContact O-N 3.44Å
564	K	95.8	Very high	95.6	Very high	151 Å²	151	49 Å²	49	66%	0.657	23%	0.233	S	C	*	.	H	α-helix	trans	-56.9	-41.4	178.3	-178	178.5	-179.8	178.5	0	112.2	L560 S562 K568	L560-K564 WeakPolarHBondContact O-CB 3.36Å; L560-K564 PolarHBondContact O-N 3.24Å; S562-K564 PolarHBondContact O-N 3.24Å; K564-K568 PolarHBondContact O-N 2.92Å; K564-K568 VanDerWaalsContact O-N 3.15Å
565	F	95.8	Very high	95.4	Very high	22 Å²	22	52.8 Å²	52.8	10%	0.096	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-41.4	178.6	-173.4	-99.8	0	0	0	112.3	E545 F548 N561 S562 I563 K568 L569	E545-F565 VanDerWaalsContact O-CE1 3.26Å; E545-F565 WeakPolarHBondContact O-CE1 3.27Å; F548-F565 HydrophobicContact CB-CB 4Å; F548-F565 HydrophobicContact CB-CD2 4.18Å; F548-F565 HydrophobicContact CB-CG 4.14Å; F548-F565 HydrophobicContact CD1-CB 3.78Å; F548-F565 AromaticContact CD1-CD1 3.67Å; F548-F565 HydrophobicContact CD1-CD1 3.67Å; F548-F565 HydrophobicContact CD1-CD2 4.34Å; F548-F565 HydrophobicContact CD1-CE1 4.33Å; F548-F565 AromaticContact CD1-CG 3.67Å; F548-F565 HydrophobicContact CD1-CG 3.67Å; F548-F565 HydrophobicContact CE1-CD1 4.19Å; F548-F565 HydrophobicContact CG-CB 4.14Å; F548-F565 HydrophobicContact CG-CG 4.33Å; N561-F565 WeakPolarHBondContact O-CB 3.4Å; N561-F565 PolarHBondContact O-N 3.16Å; S562-F565 PolarHBondContact O-N 2.96Å; I563-F565 VanDerWaalsContact C-N 3.27Å; I563-F565 PolarHBondContact O-N 2.9Å; F565-K568 WeakPolarHBondContact O-CB 2.83Å; F565-K568 PolarHBondContact O-N 3.29Å; F565-L569 HydrophobicContact CD1-CD1 3.82Å; F565-L569 HydrophobicContact CD1-CG 4.2Å; F565-L569 HydrophobicContact CE1-CD1 3.41Å; F565-L569 VanDerWaalsContact CE1-CD1 3.41Å; F565-L569 HydrophobicContact CE1-CD2 4.31Å; F565-L569 HydrophobicContact CE1-CG 3.85Å; F565-L569 HydrophobicContact CZ-CD1 4.21Å; F565-L569 HydrophobicContact CZ-CD2 4.31Å; F565-L569 HydrophobicContact CZ-CG 4.26Å; F565-L569 PolarHBondContact O-N 3.1Å
566	N	93.9	Very high	95.2	Very high	73 Å²	73	57.5 Å²	57.5	39%	0.39	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-40	176.8	-74	-18.5	0	0	0	112.3	S562 I563 K568 L569 S570	S562-N566 WeakPolarHBondContact O-CB 3.47Å; S562-N566 PolarHBondContact O-N 3.34Å; I563-N566 PolarHBondContact O-N 2.82Å; I563-N566 VanDerWaalsContact O-N 3.16Å; N566-K568 VanDerWaalsContact C-N 3.34Å; N566-K568 PolarHBondContact O-N 3.34Å; N566-L569 PolarHBondContact O-N 3.37Å; N566-S570 WeakPolarHBondContact O-CB 3.42Å; N566-S570 PolarHBondContact O-N 2.79Å
567	I	94.2	Very high	95	Very high	23 Å²	23	65.1 Å²	65.1	12%	0.118	31%	0.305	C	S	.	.	H	α-helix	trans	-59.1	-47.6	172.3	-65	170.2	0	0	0	109.8	G257 I563 L569 S570 V571	G257-I567 WeakPolarHBondContact O-CD1 3.16Å; I563-I567 HydrophobicContact CG2-CD1 4.01Å; I563-I567 WeakPolarHBondContact O-CG1 3.39Å; I563-I567 PolarHBondContact O-N 3.44Å; I567-L569 VanDerWaalsContact C-N 3.28Å; I567-L569 PolarHBondContact O-N 3.4Å; I567-S570 PolarHBondContact O-N 3.05Å; I567-V571 HydrophobicContact CG2-CG2 4.25Å; I567-V571 WeakPolarHBondContact O-CB 3.44Å; I567-V571 WeakPolarHBondContact O-CG2 3.1Å; I567-V571 PolarHBondContact O-N 3.33Å
568	K	93.8	Very high	94.9	Very high	126 Å²	126	60 Å²	60	55%	0.548	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-35.6	177.5	-172.6	-171.7	174	-177.6	0	112.8	K564 F565 N566 R572	K564-K568 PolarHBondContact O-N 2.92Å; K564-K568 VanDerWaalsContact O-N 3.15Å; F565-K568 WeakPolarHBondContact O-CB 2.83Å; F565-K568 PolarHBondContact O-N 3.29Å; N566-K568 VanDerWaalsContact C-N 3.34Å; N566-K568 PolarHBondContact O-N 3.34Å; K568-R572 WeakPolarHBondContact O-CG 3.03Å; K568-R572 PolarHBondContact O-N 3.41Å; K568-R572 PolarHBondContact O-NE 3.08Å
569	L	92	Very high	94.7	Very high	45 Å²	45	64 Å²	64	24%	0.236	31%	0.306	C	S	.	.	H	α-helix	trans	-71	-45.5	174.4	-74	176.5	0	0	0	111.4	F565 N566 I567 V571 R572 K573	F565-L569 HydrophobicContact CD1-CD1 3.82Å; F565-L569 HydrophobicContact CD1-CG 4.2Å; F565-L569 HydrophobicContact CE1-CD1 3.41Å; F565-L569 VanDerWaalsContact CE1-CD1 3.41Å; F565-L569 HydrophobicContact CE1-CD2 4.31Å; F565-L569 HydrophobicContact CE1-CG 3.85Å; F565-L569 HydrophobicContact CZ-CD1 4.21Å; F565-L569 HydrophobicContact CZ-CD2 4.31Å; F565-L569 HydrophobicContact CZ-CG 4.26Å; F565-L569 PolarHBondContact O-N 3.1Å; N566-L569 PolarHBondContact O-N 3.37Å; I567-L569 VanDerWaalsContact C-N 3.28Å; I567-L569 PolarHBondContact O-N 3.4Å; L569-V571 PolarHBondContact O-N 3.21Å; L569-R572 VanDerWaalsContact CD2-NH2 3.34Å; L569-R572 PolarHBondContact O-N 2.74Å; L569-K573 PolarHBondContact O-N 3.07Å
570	S	92.7	Very high	94.3	Very high	43 Å²	43	66.8 Å²	66.8	30%	0.301	32%	0.318	S	S	.	.	H	α-helix	trans	-60.4	-46.5	179.4	-168.4	0	0	0	0	112	N566 I567 R572 K573	N566-S570 WeakPolarHBondContact O-CB 3.42Å; N566-S570 PolarHBondContact O-N 2.79Å; I567-S570 PolarHBondContact O-N 3.05Å; S570-R572 VanDerWaalsContact C-N 3.35Å; S570-R572 PolarHBondContact O-N 3.15Å; S570-K573 WeakPolarHBondContact O-CB 3.27Å; S570-K573 PolarHBondContact O-N 3.41Å
571	V	93.9	Very high	94	Very high	19 Å²	19	68.7 Å²	68.7	12%	0.115	33%	0.332	C	S	.	.	H	α-helix	trans	-60	-42	177.7	161.6	0	0	0	0	111.9	I383 F384 I567 L569 K573 I574	I383-V571 HydrophobicContact CG2-CG2 4.19Å; F384-V571 HydrophobicContact CB-CG1 4.04Å; F384-V571 HydrophobicContact CD1-CB 4.23Å; F384-V571 HydrophobicContact CD1-CG1 3.81Å; F384-V571 HydrophobicContact CD1-CG2 4.05Å; F384-V571 HydrophobicContact CE1-CG2 4.32Å; F384-V571 HydrophobicContact CG-CG1 4.22Å; F384-V571 HydrophobicContact CG-CG2 4.36Å; F384-V571 WeakPolarHBondContact O-CG1 3.35Å; I567-V571 HydrophobicContact CG2-CG2 4.25Å; I567-V571 WeakPolarHBondContact O-CB 3.44Å; I567-V571 WeakPolarHBondContact O-CG2 3.1Å; I567-V571 PolarHBondContact O-N 3.33Å; L569-V571 PolarHBondContact O-N 3.21Å; V571-K573 PolarHBondContact O-N 2.96Å; V571-I574 WeakPolarHBondContact O-CG2 3.49Å; V571-I574 PolarHBondContact O-N 3.48Å
572	R	93	Very high	93.7	Very high	96 Å²	96	68.4 Å²	68.4	36%	0.362	34%	0.335	S	S	.	.	H	α-helix	trans	-60.8	-32.8	-179.8	-84.8	-178.5	-86.8	166.9	-4.6	113.2	K568 L569 S570 I574 H575	K568-R572 WeakPolarHBondContact O-CG 3.03Å; K568-R572 PolarHBondContact O-N 3.41Å; K568-R572 PolarHBondContact O-NE 3.08Å; L569-R572 VanDerWaalsContact CD2-NH2 3.34Å; L569-R572 PolarHBondContact O-N 2.74Å; S570-R572 VanDerWaalsContact C-N 3.35Å; S570-R572 PolarHBondContact O-N 3.15Å; R572-I574 PolarHBondContact O-N 3.48Å; R572-I574 VanDerWaalsContact O-N 3.08Å; R572-H575 PolarHBondContact O-N 2.85Å
573	K	93.5	Very high	93.5	Very high	99 Å²	99	69.9 Å²	69.9	43%	0.43	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-58.8	-24.3	-178.7	-68.5	177.4	179.4	-179.3	0	113.5	V269 N279 L569 S570 V571 H575 E576	V269-K573 HydrophobicContact CG1-CB 3.95Å; N279-K573 WeakPolarHBondContact CB-O 3.46Å; N279-K573 PolarHBondContact ND2-O 2.86Å; L569-K573 PolarHBondContact O-N 3.07Å; S570-K573 WeakPolarHBondContact O-CB 3.27Å; S570-K573 PolarHBondContact O-N 3.41Å; V571-K573 PolarHBondContact O-N 2.96Å; K573-H575 PolarHBondContact O-N 3.29Å; K573-E576 PolarHBondContact O-N 3.01Å; K573-E576 VanDerWaalsContact O-N 3.07Å
574	I	94.1	Very high	93.3	Very high	25 Å²	25	74.5 Å²	74.5	13%	0.128	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-61	-27.3	-178.4	-164.4	57	0	0	0	112.7	V269 I281 F384 V571 R572	V269-I574 HydrophobicContact CG1-CB 4.35Å; V269-I574 HydrophobicContact CG1-CD1 4.4Å; I281-I574 HydrophobicContact CG1-CD1 3.77Å; I281-I574 HydrophobicContact CG1-CG1 4.17Å; F384-I574 HydrophobicContact CD1-CG2 4.13Å; F384-I574 HydrophobicContact CE1-CB 4.33Å; F384-I574 HydrophobicContact CE1-CG2 4.4Å; V571-I574 WeakPolarHBondContact O-CG2 3.49Å; V571-I574 PolarHBondContact O-N 3.48Å; R572-I574 PolarHBondContact O-N 3.48Å; R572-I574 VanDerWaalsContact O-N 3.08Å
575	H	91.6	Very high	93.2	Very high	130 Å²	130	69.4 Å²	69.4	60%	0.602	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-103.7	4.4	178.6	-52.4	-64.6	0	0	0	113.3	D386 R572 K573	D386-H575 IonicContact OD2-CE1 3.53Å; D386-H575 PolarHBondContact OD2-CE1 3.15Å; D386-H575 VanDerWaalsContact OD2-CE1 3.24Å; D386-H575 IonicContact OD2-NE2 2.85Å; D386-H575 PolarHBondContact OD2-NE2 3.47Å; R572-H575 PolarHBondContact O-N 2.85Å; K573-H575 PolarHBondContact O-N 3.29Å
576	E	93.8	Very high	93.2	Very high	105 Å²	105	69.3 Å²	69.3	49%	0.491	35%	0.347	S	S	.	.	S	Bend	trans	-107.3	149.2	-179	-65.4	172.8	179.2	0	0	110.3	N279 K573	N279-E576 PolarHBondContact ND2-O 2.68Å; K573-E576 PolarHBondContact O-N 3.01Å; K573-E576 VanDerWaalsContact O-N 3.07Å
577	E	94.6	Very high	93.3	Very high	175 Å²	175	65.9 Å²	65.9	82%	0.818	33%	0.328	S	S	*	.	B	Isolated β-bridge	trans	-65.8	152.8	168.1	-66.7	-171.2	167.6	0	0	110.8	D579	E577-D579 PolarHBondContact O-N 3.2Å
578	V	95.7	Very high	93.4	Very high	20 Å²	20	65.1 Å²	65.1	12%	0.121	32%	0.324	C	S	.	.			trans	-70.3	115.3	-179.6	174.5	0	0	0	0	110.3	V271 S277 R278 K580	V271-V578 HydrophobicContact CB-CG2 4.42Å; V271-V578 HydrophobicContact CG1-CG1 4.39Å; V271-V578 HydrophobicContact CG1-CG2 4.13Å; V271-V578 HydrophobicContact CG2-CB 4.47Å; V271-V578 HydrophobicContact CG2-CG1 3.6Å; V271-V578 HydrophobicContact CG2-CG2 3.95Å; S277-V578 PolarHBondContact O-N 2.89Å; S277-V578 VanDerWaalsContact O-N 3.15Å; R278-V578 WeakPolarHBondContact O-CG2 3.47Å; V578-K580 HydrophobicContact CG1-CG 4.19Å; V578-K580 PolarHBondContact O-N 2.75Å
579	D	92.6	Very high	93.4	Very high	86 Å²	86	59.9 Å²	59.9	46%	0.46	30%	0.304	S	S	.	.			trans	-71.5	99.1	165.9	-179.8	11.1	0	0	0	110.4	E577 T581 A582 K598	E577-D579 PolarHBondContact O-N 3.2Å; D579-T581 PolarHBondContact O-N 3Å; D579-T581 WeakPolarHBondContact OD1-CA 3.35Å; D579-T581 WeakPolarHBondContact OD1-CB 3.38Å; D579-T581 PolarHBondContact OD1-N 3.08Å; D579-T581 PolarHBondContact OD1-OG1 2.74Å; D579-T581 PolarHBondContact OD2-OG1 2.86Å; D579-A582 HydrophobicContact CB-CB 4.23Å; D579-A582 PolarHBondContact O-N 3.44Å; D579-A582 PolarHBondContact OD1-N 2.69Å; D579-A582 PolarHBondContact OD2-N 2.85Å; D579-K598 PolarHBondContact O-NZ 3.05Å
580	K	90.6	Very high	93.4	Very high	59 Å²	59	59.8 Å²	59.8	26%	0.257	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13	176.7	-60.2	-162.4	173.1	-167.9	0	112.6	S276 M527 V578 Q600 Y648	S276-K580 WeakPolarHBondContact O-CE 3.2Å; S276-K580 PolarHBondContact OG-NZ 3.14Å; S276-K580 VanDerWaalsContact OG-NZ 3.09Å; M527-K580 HydrophobicContact CE-CB 3.69Å; M527-K580 WeakPolarHBondContact CE-O 3.47Å; V578-K580 HydrophobicContact CG1-CG 4.19Å; V578-K580 PolarHBondContact O-N 2.75Å; K580-Q600 PolarHBondContact O-NE2 3.48Å; K580-Q600 PolarHBondContact O-OE1 3.34Å; K580-Y648 PolarHBondContact NZ-O 2.98Å
581	T	91.6	Very high	93.4	Very high	81 Å²	81	62 Å²	62	50%	0.497	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-12.5	176.5	75.6	0	0	0	0	113.8	D579	D579-T581 PolarHBondContact O-N 3Å; D579-T581 WeakPolarHBondContact OD1-CA 3.35Å; D579-T581 WeakPolarHBondContact OD1-CB 3.38Å; D579-T581 PolarHBondContact OD1-N 3.08Å; D579-T581 PolarHBondContact OD1-OG1 2.74Å; D579-T581 PolarHBondContact OD2-OG1 2.86Å
582	A	91	Very high	93.5	Very high	37 Å²	37	61.2 Å²	61.2	31%	0.306	31%	0.308	S	S	.	.			trans	-66.7	133	179.5	0	0	0	0	0	113	D579 K598	D579-A582 HydrophobicContact CB-CB 4.23Å; D579-A582 PolarHBondContact O-N 3.44Å; D579-A582 PolarHBondContact OD1-N 2.69Å; D579-A582 PolarHBondContact OD2-N 2.85Å; A582-K598 PolarHBondContact O-NZ 3.46Å
583	W	93.4	Very high	93.7	Very high	30 Å²	30	57.6 Å²	57.6	11%	0.114	30%	0.295	C	S	.	.			trans	-89.2	145.7	-178.7	-71.2	39.4	0	0	0	111.4	M471 M529 Y532 P533 Y593 V602 P604	M471-W583 HydrophobicContact CE-CB 4.3Å; M529-W583 HydrophobicContact CB-CH2 4.39Å; M529-W583 HydrophobicContact CB-CZ2 3.56Å; M529-W583 VanDerWaalsContact CE-NE1 3.33Å; Y532-W583 VanDerWaalsContact CA-CH2 3.49Å; P533-W583 HydrophobicContact CG-CD2 4.13Å; P533-W583 HydrophobicContact CG-CG 4.18Å; W583-Y593 WeakPolarHBondContact CA-OH 3.27Å; W583-V602 HydrophobicContact CD2-CG1 3.63Å; W583-V602 HydrophobicContact CE3-CG1 3.41Å; W583-V602 VanDerWaalsContact CE3-CG1 3.41Å; W583-V602 HydrophobicContact CG-CG1 4.44Å; W583-V602 HydrophobicContact CH2-CG1 3.64Å; W583-V602 HydrophobicContact CZ2-CG1 3.9Å; W583-V602 HydrophobicContact CZ3-CG1 3.4Å; W583-V602 VanDerWaalsContact CZ3-CG1 3.4Å; W583-P604 HydrophobicContact CZ3-CB 4.33Å; W583-P604 HydrophobicContact CZ3-CG 4.28Å
584	L	91.6	Very high	93.9	Very high	119 Å²	119	53.6 Å²	53.6	62%	0.623	28%	0.277	S	S	*	.	S	Bend	trans	-81	-42.9	171.2	178.9	63	0	0	0	112.1	Y593 L595	L584-Y593 HydrophobicContact CB-CD2 4.46Å; L584-Y593 HydrophobicContact CB-CE1 4.34Å; L584-Y593 HydrophobicContact CB-CE2 3.8Å; L584-Y593 PolarHBondContact N-OH 3.06Å; L584-L595 HydrophobicContact CD2-CD2 4.38Å
585	L	94	Very high	94	Very high	45 Å²	45	54.4 Å²	54.4	24%	0.236	28%	0.281	C	S	.	.	S	Bend	trans	-110.2	147.5	-177.1	-58.9	-178.9	0	0	0	111.4	A589 N591 Y593	L585-A589 HydrophobicContact CB-CB 3.96Å; L585-A589 HydrophobicContact CD1-CB 4.33Å; L585-N591 HydrophobicContact CD1-CB 3.75Å; L585-Y593 HydrophobicContact CB-CD1 4.43Å; L585-Y593 HydrophobicContact CB-CE1 3.89Å; L585-Y593 HydrophobicContact CD1-CD1 3.73Å; L585-Y593 HydrophobicContact CD1-CE1 4.05Å; L585-Y593 HydrophobicContact CG-CD1 3.99Å; L585-Y593 HydrophobicContact CG-CE1 3.87Å
586	P	95.6	Very high	94.2	Very high	20 Å²	20	48.4 Å²	48.4	13%	0.13	25%	0.254	C	S	.	.			trans	-74.8	159.1	177.4	33.9	-37.6	0	0	0	112.2	G470 M471 Q588 A589	G470-P586 VanDerWaalsContact O-CB 3.29Å; G470-P586 WeakPolarHBondContact O-CB 3.29Å; M471-P586 HydrophobicContact SD-CB 4.17Å; P586-Q588 VanDerWaalsContact C-N 3.25Å; P586-Q588 PolarHBondContact O-N 3.11Å; P586-Q588 VanDerWaalsContact O-N 3.08Å; P586-A589 WeakPolarHBondContact O-CB 3.3Å; P586-A589 PolarHBondContact O-N 3.04Å
587	P	96.3	Very high	94.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.9	-174.6	-28.6	31.4	0	0	0	116.7	V478 L536 A589 P604 A605 G606	V478-P587 HydrophobicContact CG1-CB 3.58Å; V478-P587 HydrophobicContact CG1-CG 4.29Å; L536-P587 HydrophobicContact CD1-CG 3.25Å; P587-A589 VanDerWaalsContact C-N 3.3Å; P587-P604 CarbonylContact O-C 3.54Å; P587-P604 VanDerWaalsContact O-CB 3.22Å; P587-P604 WeakPolarHBondContact O-CB 3.46Å; P587-A605 CarbonylContact O-C 3.17Å; P587-A605 WeakPolarHBondContact O-CA 3.43Å; P587-A605 PolarHBondContact O-N 2.98Å; P587-G606 PolarHBondContact O-N 3.42Å
588	Q	95.6	Very high	94.3	Very high	7 Å²	7	37.6 Å²	37.6	3%	0.033	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.6	-178.5	67.9	-80.5	13.8	0	0	113.4	L174 N466 G470 G474 F477 P586	L174-Q588 HydrophobicContact CD1-CB 4.21Å; L174-Q588 HydrophobicContact CD1-CG 3.86Å; L174-Q588 HydrophobicContact CD2-CB 4.34Å; L174-Q588 HydrophobicContact CD2-CG 4.2Å; N466-Q588 PolarHBondContact OD1-NE2 2.88Å; G470-Q588 PolarHBondContact O-NE2 3.41Å; G470-Q588 PolarHBondContact O-OE1 3.33Å; G474-Q588 VanDerWaalsContact N-OE1 3.16Å; F477-Q588 HydrophobicContact CB-CB 4.18Å; F477-Q588 HydrophobicContact CD1-CB 3.91Å; F477-Q588 HydrophobicContact CD2-CB 4.15Å; F477-Q588 HydrophobicContact CE1-CB 4.32Å; F477-Q588 HydrophobicContact CG-CB 3.82Å; P586-Q588 VanDerWaalsContact C-N 3.25Å; P586-Q588 PolarHBondContact O-N 3.11Å; P586-Q588 VanDerWaalsContact O-N 3.08Å
589	A	94.7	Very high	94.3	Very high	16 Å²	16	36.8 Å²	36.8	13%	0.132	20%	0.199	C	C	.	.			trans	-62.1	142.1	179.5	0	0	0	0	0	111.8	L585 P586 P587 N591 P604 I607	L585-A589 HydrophobicContact CB-CB 3.96Å; L585-A589 HydrophobicContact CD1-CB 4.33Å; P586-A589 WeakPolarHBondContact O-CB 3.3Å; P586-A589 PolarHBondContact O-N 3.04Å; P587-A589 VanDerWaalsContact C-N 3.3Å; A589-N591 VanDerWaalsContact C-N 3.31Å; A589-N591 PolarHBondContact O-N 2.89Å; A589-P604 HydrophobicContact CB-CB 4.47Å; A589-P604 HydrophobicContact CB-CG 4.38Å; A589-I607 PolarHBondContact O-N 2.82Å
590	L	92.4	Very high	94.5	Very high	44 Å²	44	32.7 Å²	32.7	23%	0.23	18%	0.177	C	C	.	.	S	Bend	trans	-94.5	62.2	171.7	-74.8	-177	0	0	0	111.1	I163 I166 G606 I607	I163-L590 HydrophobicContact CG2-CB 4.35Å; I163-L590 HydrophobicContact CG2-CD1 4.37Å; I163-L590 WeakPolarHBondContact O-CD1 3.42Å; I166-L590 HydrophobicContact CB-CD1 4.11Å; I166-L590 HydrophobicContact CB-CD2 4.39Å; I166-L590 HydrophobicContact CG2-CD1 4.12Å; I166-L590 HydrophobicContact CG2-CD2 3.7Å; L590-G606 VanDerWaalsContact CD2-C 3.45Å; L590-G606 WeakPolarHBondContact CD2-O 3.47Å; L590-I607 HydrophobicContact CD2-CB 4.45Å
591	N	92.2	Very high	94.8	Very high	88 Å²	88	29.9 Å²	29.9	47%	0.471	17%	0.165	S	C	.	.			trans	-152.2	168.3	174.6	-150.4	-7.9	0	0	0	109.7	L585 A589 P604	L585-N591 HydrophobicContact CD1-CB 3.75Å; A589-N591 VanDerWaalsContact C-N 3.31Å; A589-N591 PolarHBondContact O-N 2.89Å; N591-P604 WeakPolarHBondContact O-CD 3.24Å; N591-P604 WeakPolarHBondContact O-CG 3.44Å
592	A	95.7	Very high	95.1	Very high	4 Å²	4	26 Å²	26	3%	0.033	14%	0.141	C	C	.	.			trans	-125.3	165.3	160.8	0	0	0	0	0	107.8	V602 F603 I629 E633	A592-V602 WeakPolarHBondContact CA-O 3.32Å; A592-F603 HydrophobicContact CB-CD1 3.71Å; A592-F603 HydrophobicContact CB-CE1 3.95Å; A592-I629 HydrophobicContact CB-CG2 3.75Å; A592-E633 VanDerWaalsContact C-OE1 3.27Å; A592-E633 HydrophobicContact CB-CG 3.69Å; A592-E633 WeakPolarHBondContact CB-OE1 2.91Å
593	Y	97.1	Very high	95.4	Very high	19 Å²	19	24.2 Å²	24.2	8%	0.075	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	153.1	176.8	62	-85.3	0	0	0	112.7	W583 L584 L585 L595 M601 V602 E633	W583-Y593 WeakPolarHBondContact CA-OH 3.27Å; L584-Y593 HydrophobicContact CB-CD2 4.46Å; L584-Y593 HydrophobicContact CB-CE1 4.34Å; L584-Y593 HydrophobicContact CB-CE2 3.8Å; L584-Y593 PolarHBondContact N-OH 3.06Å; L585-Y593 HydrophobicContact CB-CD1 4.43Å; L585-Y593 HydrophobicContact CB-CE1 3.89Å; L585-Y593 HydrophobicContact CD1-CD1 3.73Å; L585-Y593 HydrophobicContact CD1-CE1 4.05Å; L585-Y593 HydrophobicContact CG-CD1 3.99Å; L585-Y593 HydrophobicContact CG-CE1 3.87Å; Y593-L595 HydrophobicContact CD2-CD1 4.27Å; Y593-L595 HydrophobicContact CD2-CD2 4.16Å; Y593-L595 HydrophobicContact CD2-CG 3.78Å; Y593-L595 HydrophobicContact CE2-CD1 3.78Å; Y593-L595 HydrophobicContact CE2-CD2 4.44Å; Y593-L595 HydrophobicContact CE2-CG 3.81Å; Y593-M601 WeakPolarHBondContact O-CA 3.44Å; Y593-V602 HydrophobicContact CD1-CB 4.17Å; Y593-V602 HydrophobicContact CD2-CB 4.41Å; Y593-V602 HydrophobicContact CD2-CG2 4.41Å; Y593-V602 HydrophobicContact CE1-CB 3.58Å; Y593-V602 HydrophobicContact CE1-CG1 3.77Å; Y593-V602 HydrophobicContact CE1-CG2 4.22Å; Y593-V602 HydrophobicContact CE2-CB 3.87Å; Y593-V602 HydrophobicContact CE2-CG2 3.62Å; Y593-V602 VanDerWaalsContact CZ-CB 3.41Å; Y593-V602 PolarHBondContact N-O 2.91Å; Y593-V602 PolarHBondContact O-N 3Å; Y593-V602 WeakPolarHBondContact OH-CG2 3.25Å; Y593-E633 WeakPolarHBondContact CA-OE2 3.43Å; Y593-E633 PolarHBondContact N-OE2 3.48Å
594	Y	97.8	Very high	95.5	Very high	15 Å²	15	22.8 Å²	22.8	6%	0.059	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.1	166.8	178.2	-102.4	0	0	0	111	K522 M526 P596 N599 Q600 M601 E633 H636 G637	K522-Y594 WeakPolarHBondContact CE-OH 3.37Å; M526-Y594 HydrophobicContact CE-CE2 3.78Å; M526-Y594 HydrophobicContact CG-CE2 4.4Å; M526-Y594 HydrophobicContact SD-CE2 4.18Å; Y594-P596 HydrophobicContact CD1-CG 4.03Å; Y594-P596 VanDerWaalsContact CE1-CA 3.5Å; Y594-P596 HydrophobicContact CE1-CB 4.01Å; Y594-P596 HydrophobicContact CE1-CG 3.82Å; Y594-N599 PolarHBondContact OH-OD1 2.99Å; Y594-Q600 CarbonylContact C-O 3.55Å; Y594-Q600 WeakPolarHBondContact CA-O 3.46Å; Y594-Q600 WeakPolarHBondContact CD2-O 3.13Å; Y594-M601 HydrophobicContact CD2-CB 4.45Å; Y594-E633 PolarHBondContact N-OE2 2.97Å; Y594-H636 HydrophobicContact CD1-CB 3.71Å; Y594-H636 HydrophobicContact CG-CB 3.84Å; Y594-G637 VanDerWaalsContact CZ-CA 3.45Å
595	L	96.4	Very high	95.8	Very high	42 Å²	42	17.1 Å²	17.1	22%	0.22	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	109.8	172.5	-67.1	178.1	0	0	0	110.1	L584 Y593 N597 K598 N599 Q600	L584-L595 HydrophobicContact CD2-CD2 4.38Å; Y593-L595 HydrophobicContact CD2-CD1 4.27Å; Y593-L595 HydrophobicContact CD2-CD2 4.16Å; Y593-L595 HydrophobicContact CD2-CG 3.78Å; Y593-L595 HydrophobicContact CE2-CD1 3.78Å; Y593-L595 HydrophobicContact CE2-CD2 4.44Å; Y593-L595 HydrophobicContact CE2-CG 3.81Å; L595-N597 PolarHBondContact O-N 2.93Å; L595-K598 HydrophobicContact CB-CB 4.24Å; L595-K598 HydrophobicContact CD1-CD 3.99Å; L595-K598 PolarHBondContact O-N 3.46Å; L595-K598 VanDerWaalsContact O-N 3.15Å; L595-N599 PolarHBondContact O-N 3.36Å; L595-Q600 PolarHBondContact N-O 3.37Å; L595-Q600 PolarHBondContact O-N 3.31Å
596	P	95.4	Very high	95.8	Very high	4 Å²	4	15 Å²	15	3%	0.026	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-58.2	-45.1	179.8	-24.3	32	0	0	0	113.2	Y594 K598 N599 W641 Y645 G649	Y594-P596 HydrophobicContact CD1-CG 4.03Å; Y594-P596 VanDerWaalsContact CE1-CA 3.5Å; Y594-P596 HydrophobicContact CE1-CB 4.01Å; Y594-P596 HydrophobicContact CE1-CG 3.82Å; P596-K598 PolarHBondContact O-N 2.87Å; P596-K598 VanDerWaalsContact O-N 3.08Å; P596-N599 PolarHBondContact O-N 2.94Å; P596-W641 HydrophobicContact CG-CD2 4.22Å; P596-W641 HydrophobicContact CG-CE3 3.91Å; P596-W641 HydrophobicContact CG-CH2 4.16Å; P596-W641 HydrophobicContact CG-CZ2 4.45Å; P596-W641 HydrophobicContact CG-CZ3 3.89Å; P596-Y645 HydrophobicContact CB-CD1 4.25Å; P596-Y645 HydrophobicContact CB-CD2 3.31Å; P596-Y645 HydrophobicContact CB-CE1 4.48Å; P596-Y645 HydrophobicContact CB-CE2 3.54Å; P596-Y645 HydrophobicContact CB-CG 3.67Å; P596-Y645 HydrophobicContact CG-CD2 4.3Å; P596-Y645 HydrophobicContact CG-CE2 4.26Å; P596-G649 WeakPolarHBondContact O-CA 3.1Å
597	N	94.4	Very high	95.7	Very high	28 Å²	28	14.4 Å²	14.4	15%	0.15	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-62.5	-17.6	-179.9	-79.1	-37.2	0	0	0	114.7	V271 D273 S276 L595 Y645 G649	V271-N597 HydrophobicContact CB-CB 4.13Å; V271-N597 HydrophobicContact CG1-CB 3.91Å; D273-N597 PolarHBondContact OD1-ND2 3.48Å; D273-N597 PolarHBondContact OD1-OD1 3.35Å; S276-N597 VanDerWaalsContact CB-O 3.28Å; S276-N597 WeakPolarHBondContact CB-O 3.48Å; L595-N597 PolarHBondContact O-N 2.93Å; N597-Y645 WeakPolarHBondContact OD1-CE1 3.5Å; N597-G649 WeakPolarHBondContact CA-O 2.99Å; N597-G649 PolarHBondContact OD1-O 3.49Å
598	K	95.4	Very high	95.6	Very high	26 Å²	26	14.8 Å²	14.8	11%	0.113	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-111.4	-6.3	175.9	-61.9	-172.1	-178.3	-165.6	0	112.8	M527 D579 A582 L595 P596 Q600	M527-K598 HydrophobicContact CE-CB 4.45Å; M527-K598 WeakPolarHBondContact CE-O 3.22Å; D579-K598 PolarHBondContact O-NZ 3.05Å; A582-K598 PolarHBondContact O-NZ 3.46Å; L595-K598 HydrophobicContact CB-CB 4.24Å; L595-K598 HydrophobicContact CD1-CD 3.99Å; L595-K598 PolarHBondContact O-N 3.46Å; L595-K598 VanDerWaalsContact O-N 3.15Å; P596-K598 PolarHBondContact O-N 2.87Å; P596-K598 VanDerWaalsContact O-N 3.08Å; K598-Q600 HydrophobicContact CB-CB 3.74Å; K598-Q600 PolarHBondContact O-N 3.44Å
599	N	97.4	Very high	95.2	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.011	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.8	53.3	-165.3	-169.5	27	0	0	0	111.2	K522 M526 M527 Y594 L595 P596 R647	K522-N599 PolarHBondContact O-ND2 3.18Å; K522-N599 VanDerWaalsContact O-ND2 3.07Å; M526-N599 CarbonylContact C-O 3.45Å; M526-N599 WeakPolarHBondContact CA-O 3.35Å; M526-N599 WeakPolarHBondContact CE-OD1 3.35Å; M526-N599 WeakPolarHBondContact CG-O 3.41Å; M526-N599 PolarHBondContact N-ND2 3.32Å; M527-N599 PolarHBondContact N-O 3.28Å; Y594-N599 PolarHBondContact OH-OD1 2.99Å; L595-N599 PolarHBondContact O-N 3.36Å; P596-N599 PolarHBondContact O-N 2.94Å; N599-R647 PolarHBondContact ND2-O 2.94Å; N599-R647 VanDerWaalsContact ND2-O 3.15Å
600	Q	96.8	Very high	94.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.5	-168	-179.1	179	59.1	0	0	111.1	M527 M529 K580 Y594 L595 K598 V602	M527-Q600 HydrophobicContact CB-CB 4.21Å; M527-Q600 HydrophobicContact CB-CG 4.1Å; M527-Q600 HydrophobicContact CE-CB 3.97Å; M527-Q600 HydrophobicContact CE-CG 4.18Å; M527-Q600 WeakPolarHBondContact O-CA 3.49Å; M529-Q600 HydrophobicContact CG-CG 4.11Å; K580-Q600 PolarHBondContact O-NE2 3.48Å; K580-Q600 PolarHBondContact O-OE1 3.34Å; Y594-Q600 CarbonylContact C-O 3.55Å; Y594-Q600 WeakPolarHBondContact CA-O 3.46Å; Y594-Q600 WeakPolarHBondContact CD2-O 3.13Å; L595-Q600 PolarHBondContact N-O 3.37Å; L595-Q600 PolarHBondContact O-N 3.31Å; K598-Q600 HydrophobicContact CB-CB 3.74Å; K598-Q600 PolarHBondContact O-N 3.44Å; Q600-V602 HydrophobicContact CG-CG2 3.9Å
601	M	96.5	Very high	93.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.3	167.9	54.7	178.5	155.5	0	0	111.3	V494 K498 M526 M527 V528 M529 Y593 Y594 F603 E633 L634	V494-M601 HydrophobicContact CG1-CE 3.74Å; V494-M601 HydrophobicContact CG1-SD 4.44Å; K498-M601 HydrophobicContact CD-CE 3.77Å; K498-M601 HydrophobicContact CG-CE 3.96Å; M526-M601 HydrophobicContact CG-CE 4.3Å; M526-M601 HydrophobicContact SD-CE 3.66Å; M526-M601 HydrophobicContact SD-CG 4.31Å; M526-M601 HydrophobicContact SD-SD 4.14Å; M527-M601 PolarHBondContact O-N 3.4Å; V528-M601 HydrophobicContact CB-CE 4.48Å; V528-M601 HydrophobicContact CB-CG 4.43Å; V528-M601 HydrophobicContact CG1-CE 4.5Å; V528-M601 HydrophobicContact CG1-CG 4.31Å; V528-M601 HydrophobicContact CG2-CE 3.37Å; V528-M601 HydrophobicContact CG2-CG 4.09Å; V528-M601 HydrophobicContact CG2-SD 4.41Å; M529-M601 PolarHBondContact N-O 2.87Å; Y593-M601 WeakPolarHBondContact O-CA 3.44Å; Y594-M601 HydrophobicContact CD2-CB 4.45Å; M601-F603 HydrophobicContact CB-CE2 4.14Å; M601-F603 HydrophobicContact CB-CZ 4.21Å; M601-F603 HydrophobicContact CG-CE2 3.9Å; M601-F603 HydrophobicContact CG-CZ 4.28Å; M601-F603 HydrophobicContact SD-CE2 3.77Å; M601-F603 HydrophobicContact SD-CZ 3.83Å; M601-E633 HydrophobicContact CB-CB 4.11Å; M601-L634 HydrophobicContact CE-CD1 4.09Å; M601-L634 HydrophobicContact SD-CB 4.4Å
602	V	97.3	Very high	93.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.2	-174.8	-175.9	0	0	0	0	111.3	M529 W583 A592 Y593 Q600	M529-V602 HydrophobicContact CB-CB 4.3Å; M529-V602 HydrophobicContact CB-CG1 4.06Å; M529-V602 HydrophobicContact CB-CG2 3.93Å; M529-V602 HydrophobicContact CG-CG2 4.09Å; M529-V602 CarbonylContact O-C 3.54Å; M529-V602 WeakPolarHBondContact O-CA 3.41Å; W583-V602 HydrophobicContact CD2-CG1 3.63Å; W583-V602 HydrophobicContact CE3-CG1 3.41Å; W583-V602 VanDerWaalsContact CE3-CG1 3.41Å; W583-V602 HydrophobicContact CG-CG1 4.44Å; W583-V602 HydrophobicContact CH2-CG1 3.64Å; W583-V602 HydrophobicContact CZ2-CG1 3.9Å; W583-V602 HydrophobicContact CZ3-CG1 3.4Å; W583-V602 VanDerWaalsContact CZ3-CG1 3.4Å; A592-V602 WeakPolarHBondContact CA-O 3.32Å; Y593-V602 HydrophobicContact CD1-CB 4.17Å; Y593-V602 HydrophobicContact CD2-CB 4.41Å; Y593-V602 HydrophobicContact CD2-CG2 4.41Å; Y593-V602 HydrophobicContact CE1-CB 3.58Å; Y593-V602 HydrophobicContact CE1-CG1 3.77Å; Y593-V602 HydrophobicContact CE1-CG2 4.22Å; Y593-V602 HydrophobicContact CE2-CB 3.87Å; Y593-V602 HydrophobicContact CE2-CG2 3.62Å; Y593-V602 VanDerWaalsContact CZ-CB 3.41Å; Y593-V602 PolarHBondContact N-O 2.91Å; Y593-V602 PolarHBondContact O-N 3Å; Y593-V602 WeakPolarHBondContact OH-CG2 3.25Å; Q600-V602 HydrophobicContact CG-CG2 3.9Å
603	F	97.1	Very high	93.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	90.8	179.2	-54.1	-77.5	0	0	0	110.3	V494 V528 M529 T530 G531 A592 M601 I629 I630 E633	V494-F603 HydrophobicContact CG2-CD2 4.32Å; V494-F603 HydrophobicContact CG2-CE2 4.04Å; V528-F603 HydrophobicContact CG1-CD2 4.43Å; V528-F603 HydrophobicContact CG1-CE2 4.26Å; M529-F603 PolarHBondContact O-N 3.32Å; T530-F603 CarbonylContact C-O 3.59Å; G531-F603 PolarHBondContact N-O 3.09Å; A592-F603 HydrophobicContact CB-CD1 3.71Å; A592-F603 HydrophobicContact CB-CE1 3.95Å; M601-F603 HydrophobicContact CB-CE2 4.14Å; M601-F603 HydrophobicContact CB-CZ 4.21Å; M601-F603 HydrophobicContact CG-CE2 3.9Å; M601-F603 HydrophobicContact CG-CZ 4.28Å; M601-F603 HydrophobicContact SD-CE2 3.77Å; M601-F603 HydrophobicContact SD-CZ 3.83Å; F603-I629 HydrophobicContact CE1-CG2 4.48Å; F603-I630 HydrophobicContact CD1-CG1 4.06Å; F603-I630 HydrophobicContact CE1-CB 4.14Å; F603-I630 HydrophobicContact CE1-CG1 3.62Å; F603-I630 HydrophobicContact CE2-CG1 4.17Å; F603-I630 HydrophobicContact CZ-CB 3.98Å; F603-I630 HydrophobicContact CZ-CG1 3.68Å; F603-I630 HydrophobicContact CZ-CG2 4.07Å; F603-E633 HydrophobicContact CE1-CB 4.06Å; F603-E633 HydrophobicContact CE1-CG 3.62Å; F603-E633 HydrophobicContact CZ-CB 3.93Å; F603-E633 HydrophobicContact CZ-CG 4.01Å
604	P	97	Very high	93.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	151.3	176.3	-23.3	32.4	0	0	0	114.2	G531 W583 P587 A589 N591 G606 I607	G531-P604 CarbonylContact O-C 3.23Å; W583-P604 HydrophobicContact CZ3-CB 4.33Å; W583-P604 HydrophobicContact CZ3-CG 4.28Å; P587-P604 CarbonylContact O-C 3.54Å; P587-P604 VanDerWaalsContact O-CB 3.22Å; P587-P604 WeakPolarHBondContact O-CB 3.46Å; A589-P604 HydrophobicContact CB-CB 4.47Å; A589-P604 HydrophobicContact CB-CG 4.38Å; N591-P604 WeakPolarHBondContact O-CD 3.24Å; N591-P604 WeakPolarHBondContact O-CG 3.44Å; P604-G606 PolarHBondContact O-N 3.2Å; P604-I607 VanDerWaalsContact O-CG2 3.25Å; P604-I607 WeakPolarHBondContact O-CG2 3.22Å; P604-I607 PolarHBondContact O-N 3.41Å
605	A	96.1	Very high	93.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.2	175.6	0	0	0	0	0	113.7	F477 V478 F482 G531 P587 I607 L608	F477-A605 HydrophobicContact CE1-CB 4.31Å; V478-A605 HydrophobicContact CG1-CB 4.01Å; F482-A605 HydrophobicContact CB-CB 4.06Å; F482-A605 HydrophobicContact CD1-CB 3.97Å; F482-A605 HydrophobicContact CD2-CB 3.59Å; F482-A605 HydrophobicContact CE1-CB 4.31Å; F482-A605 HydrophobicContact CE2-CB 3.98Å; F482-A605 HydrophobicContact CG-CB 3.59Å; F482-A605 HydrophobicContact CZ-CB 4.32Å; G531-A605 WeakPolarHBondContact O-CB 3.3Å; G531-A605 PolarHBondContact O-N 3.14Å; P587-A605 CarbonylContact O-C 3.17Å; P587-A605 WeakPolarHBondContact O-CA 3.43Å; P587-A605 PolarHBondContact O-N 2.98Å; A605-I607 PolarHBondContact O-N 3.08Å; A605-L608 PolarHBondContact O-N 3.21Å
606	G	95.1	Very high	92.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-40.3	-178.5	0	0	0	0	0	112.8	N170 P587 L590 P604 L608 Q609	N170-G606 PolarHBondContact ND2-O 3Å; P587-G606 PolarHBondContact O-N 3.42Å; L590-G606 VanDerWaalsContact CD2-C 3.45Å; L590-G606 WeakPolarHBondContact CD2-O 3.47Å; P604-G606 PolarHBondContact O-N 3.2Å; G606-L608 VanDerWaalsContact C-N 3.34Å; G606-Q609 WeakPolarHBondContact O-CG 3.46Å
607	I	93.9	Very high	92.5	Very high	7 Å²	7	17.5 Å²	17.5	4%	0.036	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-18.6	179.2	-163.4	166.3	0	0	0	112.9	A589 L590 P604 A605 Q609 L612 I626 I629	A589-I607 PolarHBondContact O-N 2.82Å; L590-I607 HydrophobicContact CD2-CB 4.45Å; P604-I607 VanDerWaalsContact O-CG2 3.25Å; P604-I607 WeakPolarHBondContact O-CG2 3.22Å; P604-I607 PolarHBondContact O-N 3.41Å; A605-I607 PolarHBondContact O-N 3.08Å; I607-Q609 PolarHBondContact O-N 2.81Å; I607-L612 HydrophobicContact CD1-CD1 4.26Å; I607-L612 HydrophobicContact CG1-CD1 3.51Å; I607-I626 HydrophobicContact CG2-CD1 4.38Å; I607-I629 HydrophobicContact CD1-CD1 4.1Å; I607-I629 HydrophobicContact CD1-CG2 4.42Å
608	L	93.8	Very high	92.5	Very high	8 Å²	8	16.5 Å²	16.5	4%	0.042	9%	0.088	C	C	.	.			trans	-81.8	56.9	179.9	-57.9	178.3	0	0	0	111.8	F482 V490 T530 A605 G606 Y613 I626	F482-L608 HydrophobicContact CE2-CB 3.94Å; F482-L608 HydrophobicContact CE2-CD1 3.67Å; F482-L608 HydrophobicContact CE2-CG 4.43Å; F482-L608 HydrophobicContact CZ-CD1 3.67Å; V490-L608 HydrophobicContact CB-CD1 4.47Å; V490-L608 HydrophobicContact CG1-CD1 4.34Å; V490-L608 HydrophobicContact CG1-CD2 4.02Å; V490-L608 HydrophobicContact CG2-CD1 4.06Å; V490-L608 HydrophobicContact CG2-CD2 3.87Å; V490-L608 HydrophobicContact CG2-CG 4.5Å; T530-L608 HydrophobicContact CG2-CD1 4.12Å; A605-L608 PolarHBondContact O-N 3.21Å; G606-L608 VanDerWaalsContact C-N 3.34Å; L608-Y613 HydrophobicContact CB-CD1 4.12Å; L608-I626 HydrophobicContact CD2-CD1 3.75Å; L608-I626 HydrophobicContact CD2-CG1 3.72Å
609	Q	87.3	Confident	92.5	Very high	17 Å²	17	17.2 Å²	17.2	8%	0.079	9%	0.092	C	C	.	.	S	Bend	trans	-118.4	156.4	-177.2	-64.3	-67.2	-53.2	0	0	111.3	I166 K173 G606 I607 L612 Y613	I166-Q609 HydrophobicContact CG2-CB 3.66Å; I166-Q609 HydrophobicContact CG2-CG 3.85Å; K173-Q609 VanDerWaalsContact NZ-OE1 3.08Å; G606-Q609 WeakPolarHBondContact O-CG 3.46Å; I607-Q609 PolarHBondContact O-N 2.81Å; Q609-L612 PolarHBondContact O-N 2.8Å; Q609-L612 VanDerWaalsContact O-N 3.13Å; Q609-Y613 CarbonylContact C-O 3.48Å; Q609-Y613 CarbonylContact O-C 3.58Å; Q609-Y613 PolarHBondContact O-N 2.98Å
610	P	80.8	Confident	92.5	Very high	58 Å²	58	17.1 Å²	17.1	38%	0.377	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	147.3	174.6	-24.1	32.7	0	0	0	111	Y613	P610-Y613 VanDerWaalsContact CA-O 3.32Å; P610-Y613 WeakPolarHBondContact CA-O 3.44Å; P610-Y613 VanDerWaalsContact N-O 3.11Å
611	T	78.3	Confident	92.5	Very high	35 Å²	35	17.6 Å²	17.6	22%	0.215	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	-44.2	-163.9	78.7	0	0	0	0	114.6	F124 I162 I166	F124-T611 HydrophobicContact CD2-CG2 3.87Å; F124-T611 HydrophobicContact CE1-CG2 4Å; F124-T611 HydrophobicContact CE2-CG2 3.16Å; F124-T611 VanDerWaalsContact CZ-CB 3.42Å; F124-T611 HydrophobicContact CZ-CG2 3.24Å; I162-T611 HydrophobicContact CG2-CG2 4.24Å; I162-T611 WeakPolarHBondContact CG2-OG1 3.28Å; I166-T611 WeakPolarHBondContact CD1-OG1 3.2Å
612	L	90.5	Very high	92.5	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-41.4	173.3	-61.2	179.1	0	0	0	111.5	I163 I166 I607 Q609 G625 I626 I629 N738	I163-L612 HydrophobicContact CG1-CD1 4.44Å; I166-L612 HydrophobicContact CD1-CD1 3.85Å; I166-L612 HydrophobicContact CD1-CG 3.84Å; I607-L612 HydrophobicContact CD1-CD1 4.26Å; I607-L612 HydrophobicContact CG1-CD1 3.51Å; Q609-L612 PolarHBondContact O-N 2.8Å; Q609-L612 VanDerWaalsContact O-N 3.13Å; L612-G625 CarbonylContact O-C 3.51Å; L612-G625 WeakPolarHBondContact O-CA 3.22Å; L612-I626 PolarHBondContact O-N 2.05Å; L612-I629 HydrophobicContact CD1-CD1 4.33Å; L612-I629 HydrophobicContact CD2-CD1 4.23Å; L612-N738 HydrophobicContact CD2-CB 4.16Å; L612-N738 WeakPolarHBondContact CD2-OD1 3.25Å
613	Y	94.1	Very high	92.6	Very high	5 Å²	5	17.7 Å²	17.7	2%	0.02	10%	0.095	C	C	.	.			trans	-147	131.7	179.1	172.1	-105.7	0	0	0	111	K489 V490 L493 L608 Q609 P610 N622 I626	K489-Y613 WeakPolarHBondContact CB-OH 3.4Å; V490-Y613 HydrophobicContact CG2-CD1 4.07Å; V490-Y613 HydrophobicContact CG2-CD2 4.03Å; V490-Y613 HydrophobicContact CG2-CE1 3.74Å; V490-Y613 HydrophobicContact CG2-CE2 3.69Å; V490-Y613 HydrophobicContact CG2-CG 4.2Å; L493-Y613 HydrophobicContact CD1-CD2 4.22Å; L493-Y613 HydrophobicContact CD1-CE2 4.13Å; L608-Y613 HydrophobicContact CB-CD1 4.12Å; Q609-Y613 CarbonylContact C-O 3.48Å; Q609-Y613 CarbonylContact O-C 3.58Å; Q609-Y613 PolarHBondContact O-N 2.98Å; P610-Y613 VanDerWaalsContact CA-O 3.32Å; P610-Y613 WeakPolarHBondContact CA-O 3.44Å; P610-Y613 VanDerWaalsContact N-O 3.11Å; Y613-N622 WeakPolarHBondContact CA-OD1 3.4Å; Y613-N622 HydrophobicContact CD2-CB 4.46Å; Y613-I626 HydrophobicContact CD2-CG2 3.76Å; Y613-I626 HydrophobicContact CG-CG2 4.15Å
614	N	91.7	Very high	92.6	Very high	26 Å²	26	17.7 Å²	17.7	14%	0.139	10%	0.095	C	C	.	.			trans	-143.6	127.3	165.8	-170.9	-61.4	0	0	0	109.6	E616 F617 N622	N614-E616 PolarHBondContact O-N 3.26Å; N614-E616 WeakPolarHBondContact OD1-CA 3.25Å; N614-E616 WeakPolarHBondContact OD1-CB 3.48Å; N614-E616 PolarHBondContact OD1-N 3.33Å; N614-F617 HydrophobicContact CB-CB 3.91Å; N614-F617 HydrophobicContact CB-CD1 3.67Å; N614-F617 HydrophobicContact CB-CD2 3.8Å; N614-F617 HydrophobicContact CB-CE1 4.09Å; N614-F617 HydrophobicContact CB-CE2 4.21Å; N614-F617 HydrophobicContact CB-CG 3.51Å; N614-F617 HydrophobicContact CB-CZ 4.35Å; N614-F617 PolarHBondContact O-N 3.37Å; N614-F617 VanDerWaalsContact O-N 3.08Å; N614-N622 PolarHBondContact N-OD1 3.07Å; N614-N622 PolarHBondContact O-ND2 2.93Å; N614-N622 PolarHBondContact O-OD1 3.16Å
615	P	89.8	Confident	92.6	Very high	35 Å²	35	17.7 Å²	17.7	23%	0.227	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.1	-178.3	24.3	-33.6	0	0	0	113.7	K489	K489-P615 HydrophobicContact CD-CB 3.71Å
616	E	88.3	Confident	92.6	Very high	92 Å²	92	17.7 Å²	17.7	43%	0.43	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-0.5	-178.5	-54.2	-51.9	132.5	0	0	113.7	S117 K489 N614	S117-E616 VanDerWaalsContact CB-O 3.31Å; S117-E616 WeakPolarHBondContact CB-O 3.48Å; S117-E616 PolarHBondContact OG-O 2.97Å; K489-E616 IonicContact NZ-OE1 3.01Å; N614-E616 PolarHBondContact O-N 3.26Å; N614-E616 WeakPolarHBondContact OD1-CA 3.25Å; N614-E616 WeakPolarHBondContact OD1-CB 3.48Å; N614-E616 PolarHBondContact OD1-N 3.33Å
617	F	91.3	Very high	92.8	Very high	26 Å²	26	17.7 Å²	17.7	11%	0.114	10%	0.095	C	C	.	.	S	Bend	trans	-86.4	157.8	175.5	-79.1	16.6	0	0	0	110.8	R120 A121 N614 L621	R120-F617 HydrophobicContact CB-CE1 4.42Å; A121-F617 HydrophobicContact CB-CD1 4.11Å; A121-F617 HydrophobicContact CB-CD2 4.11Å; A121-F617 HydrophobicContact CB-CE1 4.18Å; A121-F617 HydrophobicContact CB-CE2 4.18Å; A121-F617 HydrophobicContact CB-CG 4.07Å; A121-F617 HydrophobicContact CB-CZ 4.22Å; N614-F617 HydrophobicContact CB-CB 3.91Å; N614-F617 HydrophobicContact CB-CD1 3.67Å; N614-F617 HydrophobicContact CB-CD2 3.8Å; N614-F617 HydrophobicContact CB-CE1 4.09Å; N614-F617 HydrophobicContact CB-CE2 4.21Å; N614-F617 HydrophobicContact CB-CG 3.51Å; N614-F617 HydrophobicContact CB-CZ 4.35Å; N614-F617 PolarHBondContact O-N 3.37Å; N614-F617 VanDerWaalsContact O-N 3.08Å; F617-L621 HydrophobicContact CD2-CD1 4.1Å
618	P	94	Very high	93	Very high	7 Å²	7	17.7 Å²	17.7	5%	0.045	10%	0.096	C	C	.	.			trans	-51.8	141.2	169.3	-25.1	33.4	0	0	0	111.9	L118 S620 L621 N622 E717 L720	L118-P618 HydrophobicContact CD2-CG 3.79Å; P618-S620 VanDerWaalsContact C-N 3.28Å; P618-S620 PolarHBondContact O-N 3.34Å; P618-L621 HydrophobicContact CB-CG 4.49Å; P618-L621 WeakPolarHBondContact O-CB 3.37Å; P618-L621 PolarHBondContact O-N 3.43Å; P618-N622 PolarHBondContact O-N 2.65Å; P618-E717 VanDerWaalsContact C-OE1 3.32Å; P618-E717 WeakPolarHBondContact CA-OE1 3.22Å; P618-E717 WeakPolarHBondContact CB-OE1 3.21Å; P618-L720 HydrophobicContact CG-CD2 3.7Å; P618-L720 HydrophobicContact CG-CG 4.33Å
619	Q	95.9	Very high	93.2	Very high	41 Å²	41	18 Å²	18	19%	0.192	10%	0.098	C	C	.	.	H	α-helix	trans	-60.7	-37.6	179.4	-66.8	-56.1	-45.7	0	0	111.7	L621 N622 Y623 Y707 W710 E717	Q619-L621 PolarHBondContact O-N 3.25Å; Q619-L621 VanDerWaalsContact O-N 3.14Å; Q619-N622 CarbonylContact O-C 3.23Å; Q619-N622 WeakPolarHBondContact O-CA 3.39Å; Q619-N622 PolarHBondContact O-N 3.22Å; Q619-Y623 HydrophobicContact CB-CD2 4.05Å; Q619-Y623 HydrophobicContact CB-CE2 4.17Å; Q619-Y623 VanDerWaalsContact O-CD2 3.28Å; Q619-Y623 WeakPolarHBondContact O-CD2 3.34Å; Q619-Y623 PolarHBondContact O-N 3.23Å; Q619-Y707 HydrophobicContact CB-CD2 4.41Å; Q619-Y707 HydrophobicContact CB-CE2 4.12Å; Q619-W710 HydrophobicContact CB-CD2 4.13Å; Q619-W710 HydrophobicContact CB-CE3 4.08Å; Q619-W710 HydrophobicContact CB-CH2 4.19Å; Q619-W710 HydrophobicContact CB-CZ2 4.21Å; Q619-W710 HydrophobicContact CB-CZ3 4.13Å; Q619-W710 HydrophobicContact CG-CD2 4.09Å; Q619-W710 HydrophobicContact CG-CE3 4.36Å; Q619-W710 HydrophobicContact CG-CH2 3.81Å; Q619-W710 HydrophobicContact CG-CZ2 3.46Å; Q619-W710 VanDerWaalsContact CG-CZ2 3.46Å; Q619-W710 HydrophobicContact CG-CZ3 4.25Å; Q619-E717 PolarHBondContact N-OE1 3.15Å; Q619-E717 PolarHBondContact N-OE2 3.45Å
620	S	97	Very high	93.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-47.9	-40.7	170.2	36.3	0	0	0	0	113.8	P618 G624 Y707 E717 H727 L731	P618-S620 VanDerWaalsContact C-N 3.28Å; P618-S620 PolarHBondContact O-N 3.34Å; S620-G624 PolarHBondContact O-N 2.84Å; S620-Y707 VanDerWaalsContact N-CE2 3.3Å; S620-E717 WeakPolarHBondContact CB-OE2 3.35Å; S620-E717 PolarHBondContact N-OE2 3.14Å; S620-E717 PolarHBondContact OG-OE2 3.02Å; S620-H727 VanDerWaalsContact CB-O 3.23Å; S620-H727 WeakPolarHBondContact CB-O 3.28Å; S620-H727 PolarHBondContact OG-ND1 3.29Å; S620-L731 WeakPolarHBondContact O-CA 3.28Å
621	L	96.9	Very high	94.5	Very high	10 Å²	10	14.5 Å²	14.5	5%	0.052	8%	0.076	C	C	.	.	H	α-helix	trans	-74.4	-37.9	176.1	-57.7	-175.1	0	0	0	112.2	A121 V125 F617 P618 Q619 G624 G625 L720 L730 A734	A121-L621 HydrophobicContact CB-CD1 3.79Å; V125-L621 HydrophobicContact CG2-CD1 4.05Å; V125-L621 HydrophobicContact CG2-CD2 3.9Å; F617-L621 HydrophobicContact CD2-CD1 4.1Å; P618-L621 HydrophobicContact CB-CG 4.49Å; P618-L621 WeakPolarHBondContact O-CB 3.37Å; P618-L621 PolarHBondContact O-N 3.43Å; Q619-L621 PolarHBondContact O-N 3.25Å; Q619-L621 VanDerWaalsContact O-N 3.14Å; L621-G624 PolarHBondContact O-N 2.84Å; L621-G625 WeakPolarHBondContact O-CA 3.23Å; L621-G625 PolarHBondContact O-N 3.43Å; L621-L720 HydrophobicContact CD1-CD1 4.4Å; L621-L730 HydrophobicContact CD2-CB 4.01Å; L621-A734 HydrophobicContact CD2-CB 3.94Å
622	N	97.4	Very high	95.5	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.011	7%	0.069	C	C	.	.	H	α-helix	trans	-67.9	-40.8	176.8	-72.2	-34.6	0	0	0	112	L493 Y613 N614 P618 Q619 G625 I626 G627	L493-N622 HydrophobicContact CD1-CB 4.36Å; Y613-N622 WeakPolarHBondContact CA-OD1 3.4Å; Y613-N622 HydrophobicContact CD2-CB 4.46Å; N614-N622 PolarHBondContact N-OD1 3.07Å; N614-N622 PolarHBondContact O-ND2 2.93Å; N614-N622 PolarHBondContact O-OD1 3.16Å; P618-N622 PolarHBondContact O-N 2.65Å; Q619-N622 CarbonylContact O-C 3.23Å; Q619-N622 WeakPolarHBondContact O-CA 3.39Å; Q619-N622 PolarHBondContact O-N 3.22Å; N622-G625 CarbonylContact O-C 3.56Å; N622-G625 PolarHBondContact O-N 2.99Å; N622-I626 WeakPolarHBondContact O-CG2 3.41Å; N622-I626 PolarHBondContact O-N 3.11Å; N622-I626 VanDerWaalsContact O-N 3.11Å; N622-G627 PolarHBondContact O-N 2.92Å
623	Y	98.3	Very high	95.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	I	π-helix	trans	-66.5	-44.3	173.5	-81.9	-83.8	0	0	0	110.7	L493 D496 I497 Q619 G625 G627 A628 S703 A706 Y707 W710	L493-Y623 HydrophobicContact CD2-CD1 4.3Å; L493-Y623 HydrophobicContact CD2-CD2 3.95Å; L493-Y623 HydrophobicContact CD2-CE1 3.85Å; L493-Y623 HydrophobicContact CD2-CE2 3.48Å; L493-Y623 VanDerWaalsContact CD2-CE2 3.48Å; L493-Y623 HydrophobicContact CD2-CG 4.35Å; L493-Y623 VanDerWaalsContact CD2-CZ 3.43Å; D496-Y623 WeakPolarHBondContact CB-OH 3.35Å; D496-Y623 PolarHBondContact OD2-OH 2.72Å; I497-Y623 HydrophobicContact CG1-CE1 4.34Å; Q619-Y623 HydrophobicContact CB-CD2 4.05Å; Q619-Y623 HydrophobicContact CB-CE2 4.17Å; Q619-Y623 VanDerWaalsContact O-CD2 3.28Å; Q619-Y623 WeakPolarHBondContact O-CD2 3.34Å; Q619-Y623 PolarHBondContact O-N 3.23Å; Y623-G625 VanDerWaalsContact C-N 3.32Å; Y623-G625 PolarHBondContact O-N 3.1Å; Y623-G627 CarbonylContact O-C 3.6Å; Y623-G627 VanDerWaalsContact O-CA 3.26Å; Y623-G627 WeakPolarHBondContact O-CA 3.46Å; Y623-G627 PolarHBondContact O-N 3.1Å; Y623-A628 PolarHBondContact O-N 3.34Å; Y623-S703 WeakPolarHBondContact CA-OG 3.43Å; Y623-S703 WeakPolarHBondContact CD1-O 3.42Å; Y623-S703 PolarHBondContact O-OG 3.14Å; Y623-A706 HydrophobicContact CD1-CB 4.06Å; Y623-A706 HydrophobicContact CE1-CB 3.51Å; Y623-Y707 AromaticContact CD2-CD2 3.62Å; Y623-Y707 HydrophobicContact CD2-CD2 3.62Å; Y623-Y707 HydrophobicContact CD2-CG 4.28Å; Y623-Y707 HydrophobicContact CE2-CD2 4.18Å; Y623-Y707 HydrophobicContact CG-CD2 4.12Å; Y623-Y707 HydrophobicContact CG-CG 4.35Å; Y623-W710 HydrophobicContact CE2-CB 4.07Å; Y623-W710 HydrophobicContact CE2-CG 4.09Å
624	G	97.4	Very high	96.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	I	π-helix	trans	-66.1	-31.8	174.9	0	0	0	0	0	114.1	S620 L621 L731 F735 N738	S620-G624 PolarHBondContact O-N 2.84Å; L621-G624 PolarHBondContact O-N 2.84Å; G624-L731 WeakPolarHBondContact CA-O 3.29Å; G624-F735 WeakPolarHBondContact O-CA 3.36Å; G624-F735 PolarHBondContact O-N 3.42Å; G624-N738 PolarHBondContact O-ND2 2.83Å
625	G	96.3	Very high	96.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-81.9	-104.2	175.7	0	0	0	0	0	112.3	L612 L621 N622 Y623 G627 A628	L612-G625 CarbonylContact O-C 3.51Å; L612-G625 WeakPolarHBondContact O-CA 3.22Å; L621-G625 WeakPolarHBondContact O-CA 3.23Å; L621-G625 PolarHBondContact O-N 3.43Å; N622-G625 CarbonylContact O-C 3.56Å; N622-G625 PolarHBondContact O-N 2.99Å; Y623-G625 VanDerWaalsContact C-N 3.32Å; Y623-G625 PolarHBondContact O-N 3.1Å; G625-G627 PolarHBondContact O-N 3.25Å; G625-A628 PolarHBondContact O-N 2.83Å
626	I	97.3	Very high	96.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-61.6	-29	-177.4	-167	62.3	0	0	0	113.3	L493 I607 L608 L612 Y613 N622 A628 I629 I630	L493-I626 HydrophobicContact CD1-CG2 3.84Å; I607-I626 HydrophobicContact CG2-CD1 4.38Å; L608-I626 HydrophobicContact CD2-CD1 3.75Å; L608-I626 HydrophobicContact CD2-CG1 3.72Å; L612-I626 PolarHBondContact O-N 2.05Å; Y613-I626 HydrophobicContact CD2-CG2 3.76Å; Y613-I626 HydrophobicContact CG-CG2 4.15Å; N622-I626 WeakPolarHBondContact O-CG2 3.41Å; N622-I626 PolarHBondContact O-N 3.11Å; N622-I626 VanDerWaalsContact O-N 3.11Å; I626-A628 PolarHBondContact O-N 2.8Å; I626-I629 HydrophobicContact CD1-CB 4.3Å; I626-I629 HydrophobicContact CD1-CD1 4.38Å; I626-I629 HydrophobicContact CD1-CG2 4.35Å; I626-I629 PolarHBondContact O-N 3Å; I626-I630 HydrophobicContact CG1-CD1 4.02Å; I626-I630 HydrophobicContact CG1-CG1 4.27Å; I626-I630 VanDerWaalsContact O-CG1 3.27Å; I626-I630 WeakPolarHBondContact O-CG1 3.03Å; I626-I630 PolarHBondContact O-N 3.17Å
627	G	98.1	Very high	97.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.036	C	C	.	.	I	π-helix	trans	-64.8	-38.9	178.1	0	0	0	0	0	112.8	I497 N622 Y623 G625 I629 I630 G631	I497-G627 VanDerWaalsContact CD1-O 3.24Å; I497-G627 WeakPolarHBondContact CD1-O 3.28Å; N622-G627 PolarHBondContact O-N 2.92Å; Y623-G627 CarbonylContact O-C 3.6Å; Y623-G627 VanDerWaalsContact O-CA 3.26Å; Y623-G627 WeakPolarHBondContact O-CA 3.46Å; Y623-G627 PolarHBondContact O-N 3.1Å; G625-G627 PolarHBondContact O-N 3.25Å; G627-I629 VanDerWaalsContact C-N 3.33Å; G627-I629 PolarHBondContact O-N 2.64Å; G627-I630 PolarHBondContact O-N 3.42Å; G627-G631 PolarHBondContact O-N 3.43Å
628	A	97.9	Very high	97.5	Very high	7 Å²	7	6 Å²	6	6%	0.058	3%	0.031	C	C	.	.	H	α-helix	trans	-65.4	-38.6	174.6	0	0	0	0	0	111.4	Y623 G625 I626 G631 H632 S703 F735	Y623-A628 PolarHBondContact O-N 3.34Å; G625-A628 PolarHBondContact O-N 2.83Å; I626-A628 PolarHBondContact O-N 2.8Å; A628-G631 PolarHBondContact O-N 3.09Å; A628-H632 WeakPolarHBondContact O-CB 3.44Å; A628-H632 PolarHBondContact O-N 2.84Å; A628-S703 PolarHBondContact N-OG 3.49Å; A628-F735 HydrophobicContact CB-CD2 3.7Å; A628-F735 HydrophobicContact CB-CE2 4.3Å
629	I	97.8	Very high	97.6	Very high	16 Å²	16	5.9 Å²	5.9	8%	0.082	3%	0.03	C	C	.	.	H	α-helix	trans	-65.9	-42.6	174.5	-64.7	165.3	0	0	0	110.9	A592 F603 I607 L612 I626 G627 G631 H632 E633	A592-I629 HydrophobicContact CB-CG2 3.75Å; F603-I629 HydrophobicContact CE1-CG2 4.48Å; I607-I629 HydrophobicContact CD1-CD1 4.1Å; I607-I629 HydrophobicContact CD1-CG2 4.42Å; L612-I629 HydrophobicContact CD1-CD1 4.33Å; L612-I629 HydrophobicContact CD2-CD1 4.23Å; I626-I629 HydrophobicContact CD1-CB 4.3Å; I626-I629 HydrophobicContact CD1-CD1 4.38Å; I626-I629 HydrophobicContact CD1-CG2 4.35Å; I626-I629 PolarHBondContact O-N 3Å; G627-I629 VanDerWaalsContact C-N 3.33Å; G627-I629 PolarHBondContact O-N 2.64Å; I629-G631 VanDerWaalsContact C-N 3.32Å; I629-G631 PolarHBondContact O-N 2.91Å; I629-H632 WeakPolarHBondContact O-CB 3.36Å; I629-H632 PolarHBondContact O-N 3Å; I629-H632 VanDerWaalsContact O-N 3.16Å; I629-E633 WeakPolarHBondContact O-CG 3.4Å; I629-E633 PolarHBondContact O-N 3.44Å
630	I	98.6	Very high	97.4	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-60.6	-44.6	174.5	-70.6	161.8	0	0	0	110.8	V490 L493 V494 I497 F603 I626 G627 H632 L634	V490-I630 HydrophobicContact CG1-CD1 4.34Å; L493-I630 HydrophobicContact CB-CD1 4.05Å; V494-I630 HydrophobicContact CB-CG2 4.25Å; V494-I630 HydrophobicContact CG1-CG2 4.29Å; V494-I630 HydrophobicContact CG2-CD1 3.78Å; V494-I630 HydrophobicContact CG2-CG1 4.06Å; V494-I630 HydrophobicContact CG2-CG2 3.85Å; I497-I630 HydrophobicContact CB-CG2 4.12Å; I497-I630 HydrophobicContact CD1-CB 3.72Å; I497-I630 HydrophobicContact CD1-CD1 4.3Å; I497-I630 HydrophobicContact CD1-CG2 3.59Å; I497-I630 HydrophobicContact CG1-CG2 4.47Å; I497-I630 HydrophobicContact CG2-CG2 4.07Å; F603-I630 HydrophobicContact CD1-CG1 4.06Å; F603-I630 HydrophobicContact CE1-CB 4.14Å; F603-I630 HydrophobicContact CE1-CG1 3.62Å; F603-I630 HydrophobicContact CE2-CG1 4.17Å; F603-I630 HydrophobicContact CZ-CB 3.98Å; F603-I630 HydrophobicContact CZ-CG1 3.68Å; F603-I630 HydrophobicContact CZ-CG2 4.07Å; I626-I630 HydrophobicContact CG1-CD1 4.02Å; I626-I630 HydrophobicContact CG1-CG1 4.27Å; I626-I630 VanDerWaalsContact O-CG1 3.27Å; I626-I630 WeakPolarHBondContact O-CG1 3.03Å; I626-I630 PolarHBondContact O-N 3.17Å; G627-I630 PolarHBondContact O-N 3.42Å; I630-H632 VanDerWaalsContact C-N 3.28Å; I630-H632 PolarHBondContact O-N 2.97Å; I630-L634 VanDerWaalsContact O-CB 3.28Å; I630-L634 WeakPolarHBondContact O-CB 3.5Å; I630-L634 PolarHBondContact O-N 3.36Å
631	G	98.4	Very high	97.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.6	-35	175.6	0	0	0	0	0	112.6	G627 A628 I629 L634 T635	G627-G631 PolarHBondContact O-N 3.43Å; A628-G631 PolarHBondContact O-N 3.09Å; I629-G631 VanDerWaalsContact C-N 3.32Å; I629-G631 PolarHBondContact O-N 2.91Å; G631-L634 PolarHBondContact O-N 3.33Å; G631-T635 WeakPolarHBondContact O-CB 3.34Å; G631-T635 PolarHBondContact O-N 3.37Å; G631-T635 PolarHBondContact O-OG1 3.16Å
632	H	98.6	Very high	97.1	Very high	14 Å²	14	11.1 Å²	11.1	7%	0.065	5%	0.049	C	C	.	.	H	α-helix	trans	-63.5	-53.5	176.5	175.6	103.7	0	0	0	110.7	A628 I629 I630 L634 T635 H636 E692 A695 D696 R763	A628-H632 WeakPolarHBondContact O-CB 3.44Å; A628-H632 PolarHBondContact O-N 2.84Å; I629-H632 WeakPolarHBondContact O-CB 3.36Å; I629-H632 PolarHBondContact O-N 3Å; I629-H632 VanDerWaalsContact O-N 3.16Å; I630-H632 VanDerWaalsContact C-N 3.28Å; I630-H632 PolarHBondContact O-N 2.97Å; H632-L634 VanDerWaalsContact C-N 3.28Å; H632-L634 PolarHBondContact O-N 2.9Å; H632-T635 WeakPolarHBondContact O-CA 3.22Å; H632-T635 WeakPolarHBondContact O-CB 3.23Å; H632-T635 PolarHBondContact O-N 3.34Å; H632-H636 AromaticContact CD2-CD2 3.81Å; H632-H636 AromaticContact CD2-NE2 3.52Å; H632-H636 AromaticContact CE1-NE2 3.89Å; H632-H636 AromaticContact NE2-CD2 3.84Å; H632-H636 AromaticContact NE2-CE1 3.84Å; H632-H636 AromaticContact NE2-NE2 3.06Å; H632-H636 PolarHBondContact NE2-NE2 2.76Å; H632-H636 PolarHBondContact O-N 3.47Å; H632-E692 IonicContact CE1-OE2 2.83Å; H632-E692 PolarHBondContact CE1-OE2 2.87Å; H632-E692 IonicContact NE2-OE2 3.94Å; H632-E692 PolarHBondContact NE2-OE2 3.47Å; H632-E692 VanDerWaalsContact NE2-OE2 3.1Å; H632-A695 WeakPolarHBondContact CA-O 3.3Å; H632-A695 VanDerWaalsContact CE1-CB 3.43Å; H632-A695 WeakPolarHBondContact CE1-CB 3.46Å; H632-A695 VanDerWaalsContact ND1-C 3.34Å; H632-A695 WeakPolarHBondContact ND1-CB 3.38Å; H632-D696 IonicContact CE1-OD1 2.93Å; H632-D696 PolarHBondContact CE1-OD1 3.5Å; H632-D696 VanDerWaalsContact CE1-OD1 3.27Å; H632-D696 PolarHBondContact ND1-N 3.29Å; H632-D696 IonicContact ND1-OD1 3.71Å; H632-D696 PolarHBondContact ND1-OD1 3.42Å; H632-R763 PolarHBondContact CE1-NH2 2.8Å
633	E	98.3	Very high	96.9	Very high	10 Å²	10	11.2 Å²	11.2	5%	0.047	5%	0.051	C	C	.	.	H	α-helix	trans	-61.6	-36	176.3	-59.4	-50	152.5	0	0	113.3	A592 Y593 Y594 M601 F603 I629 T635 H636	A592-E633 VanDerWaalsContact C-OE1 3.27Å; A592-E633 HydrophobicContact CB-CG 3.69Å; A592-E633 WeakPolarHBondContact CB-OE1 2.91Å; Y593-E633 WeakPolarHBondContact CA-OE2 3.43Å; Y593-E633 PolarHBondContact N-OE2 3.48Å; Y594-E633 PolarHBondContact N-OE2 2.97Å; M601-E633 HydrophobicContact CB-CB 4.11Å; F603-E633 HydrophobicContact CE1-CB 4.06Å; F603-E633 HydrophobicContact CE1-CG 3.62Å; F603-E633 HydrophobicContact CZ-CB 3.93Å; F603-E633 HydrophobicContact CZ-CG 4.01Å; I629-E633 WeakPolarHBondContact O-CG 3.4Å; I629-E633 PolarHBondContact O-N 3.44Å; E633-T635 VanDerWaalsContact C-N 3.27Å; E633-T635 PolarHBondContact O-N 2.03Å; E633-H636 PolarHBondContact O-N 3.37Å; E633-H636 IonicContact OE2-CD2 3.83Å
634	L	98.4	Very high	96.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.6	-37.7	174.3	177.5	58.4	0	0	0	111.5	I497 K498 L501 L523 M526 M601 I630 G631 H632 G637 Y638 L702	I497-L634 HydrophobicContact CG2-CD2 3.88Å; K498-L634 HydrophobicContact CG-CD1 4.31Å; K498-L634 HydrophobicContact CG-CD2 4.13Å; L501-L634 HydrophobicContact CB-CD2 3.93Å; L501-L634 HydrophobicContact CD2-CD1 3.94Å; L501-L634 HydrophobicContact CD2-CD2 3.8Å; L501-L634 HydrophobicContact CD2-CG 3.68Å; L523-L634 HydrophobicContact CD1-CD1 3.62Å; M526-L634 HydrophobicContact CE-CD1 3.84Å; M526-L634 HydrophobicContact SD-CD1 3.46Å; M526-L634 WeakPolarHBondContact SD-CD1 3.5Å; M601-L634 HydrophobicContact CE-CD1 4.09Å; M601-L634 HydrophobicContact SD-CB 4.4Å; I630-L634 VanDerWaalsContact O-CB 3.28Å; I630-L634 WeakPolarHBondContact O-CB 3.5Å; I630-L634 PolarHBondContact O-N 3.36Å; G631-L634 PolarHBondContact O-N 3.33Å; H632-L634 VanDerWaalsContact C-N 3.28Å; H632-L634 PolarHBondContact O-N 2.9Å; L634-G637 PolarHBondContact O-N 3.15Å; L634-Y638 WeakPolarHBondContact O-CD2 3.04Å; L634-L702 HydrophobicContact CD2-CD1 4.11Å; L634-L702 HydrophobicContact CG-CD1 4.49Å
635	T	98.3	Very high	96.8	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.006	6%	0.058	C	C	.	.	H	α-helix	trans	-74.4	-28.8	-178.6	-57.2	0	0	0	0	112.3	G631 H632 E633 G637 Y638 D639 I694 A695 W795	G631-T635 WeakPolarHBondContact O-CB 3.34Å; G631-T635 PolarHBondContact O-N 3.37Å; G631-T635 PolarHBondContact O-OG1 3.16Å; H632-T635 WeakPolarHBondContact O-CA 3.22Å; H632-T635 WeakPolarHBondContact O-CB 3.23Å; H632-T635 PolarHBondContact O-N 3.34Å; E633-T635 VanDerWaalsContact C-N 3.27Å; E633-T635 PolarHBondContact O-N 2.03Å; T635-G637 PolarHBondContact O-N 3.48Å; T635-G637 VanDerWaalsContact O-N 3.11Å; T635-Y638 CarbonylContact O-C 3.57Å; T635-Y638 WeakPolarHBondContact O-CA 3.29Å; T635-Y638 PolarHBondContact O-N 2.98Å; T635-D639 PolarHBondContact O-N 2.94Å; T635-I694 HydrophobicContact CG2-CG2 3.98Å; T635-A695 HydrophobicContact CG2-CB 4.49Å; T635-W795 HydrophobicContact CG2-CG 4.15Å
636	H	98.3	Very high	96.8	Very high	18 Å²	18	13.5 Å²	13.5	8%	0.083	6%	0.062	C	C	.	.	H	α-helix	trans	-56.5	-24.7	169.6	-79.5	-49.1	0	0	0	113.2	Y594 H632 E633 Y638 D639 G642 E692	Y594-H636 HydrophobicContact CD1-CB 3.71Å; Y594-H636 HydrophobicContact CG-CB 3.84Å; H632-H636 AromaticContact CD2-CD2 3.81Å; H632-H636 AromaticContact CD2-NE2 3.52Å; H632-H636 AromaticContact CE1-NE2 3.89Å; H632-H636 AromaticContact NE2-CD2 3.84Å; H632-H636 AromaticContact NE2-CE1 3.84Å; H632-H636 AromaticContact NE2-NE2 3.06Å; H632-H636 PolarHBondContact NE2-NE2 2.76Å; H632-H636 PolarHBondContact O-N 3.47Å; E633-H636 PolarHBondContact O-N 3.37Å; E633-H636 IonicContact OE2-CD2 3.83Å; H636-Y638 PolarHBondContact O-N 2.67Å; H636-D639 IonicContact CE1-OD2 3.24Å; H636-D639 IonicContact CG-OD2 2.89Å; H636-D639 IonicContact ND1-OD2 3.72Å; H636-D639 PolarHBondContact ND1-OD2 3.06Å; H636-G642 VanDerWaalsContact O-CA 3.31Å; H636-G642 WeakPolarHBondContact O-CA 2.95Å; H636-E692 IonicContact CE1-OE1 3.66Å; H636-E692 PolarHBondContact CE1-OE1 3.12Å; H636-E692 IonicContact CE1-OE2 2.69Å; H636-E692 PolarHBondContact CE1-OE2 3.1Å; H636-E692 IonicContact NE2-OE1 3.05Å; H636-E692 IonicContact NE2-OE2 3.78Å
637	G	97.4	Very high	96.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.3	169.1	0	0	0	0	0	114.7	K522 Y594 L634 T635	K522-G637 VanDerWaalsContact CE-O 3.23Å; K522-G637 WeakPolarHBondContact CE-O 3.25Å; K522-G637 PolarHBondContact NZ-O 2.78Å; Y594-G637 VanDerWaalsContact CZ-CA 3.45Å; L634-G637 PolarHBondContact O-N 3.15Å; T635-G637 PolarHBondContact O-N 3.48Å; T635-G637 VanDerWaalsContact O-N 3.11Å
638	Y	97.2	Very high	96.7	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140	8.5	-171.9	-51.8	-89.6	0	0	0	113.3	L501 A519 K522 L523 M526 L634 T635 H636 W654 W795	L501-Y638 HydrophobicContact CD2-CD2 4.13Å; L501-Y638 HydrophobicContact CD2-CE2 3.54Å; A519-Y638 HydrophobicContact CB-CD1 4.44Å; A519-Y638 HydrophobicContact CB-CE1 3.88Å; A519-Y638 PolarHBondContact O-OH 3.15Å; A519-Y638 VanDerWaalsContact O-OH 3.09Å; K522-Y638 HydrophobicContact CB-CE1 4.48Å; K522-Y638 HydrophobicContact CD-CE1 4.2Å; L523-Y638 WeakPolarHBondContact CA-OH 3.34Å; L523-Y638 VanDerWaalsContact CB-OH 3.3Å; L523-Y638 WeakPolarHBondContact CB-OH 3.41Å; L523-Y638 PolarHBondContact N-OH 3.3Å; L523-Y638 VanDerWaalsContact N-OH 3.11Å; M526-Y638 HydrophobicContact CE-CE2 4.21Å; L634-Y638 WeakPolarHBondContact O-CD2 3.04Å; T635-Y638 CarbonylContact O-C 3.57Å; T635-Y638 WeakPolarHBondContact O-CA 3.29Å; T635-Y638 PolarHBondContact O-N 2.98Å; H636-Y638 PolarHBondContact O-N 2.67Å; Y638-W654 HydrophobicContact CD1-CH2 4.19Å; Y638-W795 VanDerWaalsContact CB-CE2 3.47Å; Y638-W795 HydrophobicContact CD1-CH2 4.34Å; Y638-W795 HydrophobicContact CG-CH2 4.41Å; Y638-W795 HydrophobicContact CG-CZ2 4.38Å; Y638-W795 WeakPolarHBondContact O-CZ2 3.47Å; Y638-W795 PolarHBondContact O-NE1 3.48Å
639	D	95.9	Very high	96.7	Very high	4 Å²	4	23 Å²	23	2%	0.021	10%	0.097	C	C	.	.	S	Bend	trans	-74.4	-169.9	175.4	68.9	13.2	0	0	0	112.4	T635 H636 W641 G642 G643 I694	T635-D639 PolarHBondContact O-N 2.94Å; H636-D639 IonicContact CE1-OD2 3.24Å; H636-D639 IonicContact CG-OD2 2.89Å; H636-D639 IonicContact ND1-OD2 3.72Å; H636-D639 PolarHBondContact ND1-OD2 3.06Å; D639-W641 PolarHBondContact O-N 3.47Å; D639-W641 WeakPolarHBondContact OD1-CA 3.45Å; D639-W641 PolarHBondContact OD1-N 3.29Å; D639-G642 PolarHBondContact OD1-N 3.48Å; D639-G643 VanDerWaalsContact O-CA 3.29Å; D639-G643 WeakPolarHBondContact O-CA 3.46Å; D639-G643 PolarHBondContact O-N 3.07Å; D639-I694 HydrophobicContact CB-CB 4.35Å; D639-I694 HydrophobicContact CB-CG2 4.12Å
640	D	92.1	Very high	96.6	Very high	32 Å²	32	23.7 Å²	23.7	17%	0.171	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.2	179.8	60.6	-45.5	0	0	0	113.6	K353 Q644 F663 L690 G691	K353-D640 IonicContact NZ-OD2 3.44Å; K353-D640 PolarHBondContact NZ-OD2 3.05Å; D640-Q644 PolarHBondContact O-NE2 3.41Å; D640-F663 HydrophobicContact CB-CE1 4.46Å; D640-F663 HydrophobicContact CB-CZ 4.47Å; D640-L690 HydrophobicContact CB-CD2 4.18Å; D640-G691 WeakPolarHBondContact OD1-CA 3.33Å; D640-G691 PolarHBondContact OD1-N 3.03Å
641	W	91.1	Very high	96.5	Very high	128 Å²	128	24.6 Å²	24.6	49%	0.485	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-63.6	-179.7	-170.5	49.3	0	0	0	112.1	I355 P596 D639 G643 Q644	I355-W641 HydrophobicContact CD1-CG 4.35Å; P596-W641 HydrophobicContact CG-CD2 4.22Å; P596-W641 HydrophobicContact CG-CE3 3.91Å; P596-W641 HydrophobicContact CG-CH2 4.16Å; P596-W641 HydrophobicContact CG-CZ2 4.45Å; P596-W641 HydrophobicContact CG-CZ3 3.89Å; D639-W641 PolarHBondContact O-N 3.47Å; D639-W641 WeakPolarHBondContact OD1-CA 3.45Å; D639-W641 PolarHBondContact OD1-N 3.29Å; W641-G643 PolarHBondContact O-N 3.21Å; W641-Q644 WeakPolarHBondContact O-CB 3.46Å; W641-Q644 WeakPolarHBondContact O-CG 3.38Å; W641-Q644 PolarHBondContact O-N 3.17Å
642	G	95	Very high	96.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-64.7	-26.2	179	0	0	0	0	0	113	K522 H636 D639 Q644 Y645	K522-G642 PolarHBondContact NZ-O 2.61Å; H636-G642 VanDerWaalsContact O-CA 3.31Å; H636-G642 WeakPolarHBondContact O-CA 2.95Å; D639-G642 PolarHBondContact OD1-N 3.48Å; G642-Q644 PolarHBondContact O-N 3.42Å; G642-Q644 VanDerWaalsContact O-N 3.14Å; G642-Y645 PolarHBondContact O-N 2.99Å; G642-Y645 VanDerWaalsContact O-N 3.08Å
643	G	95.1	Very high	95.9	Very high	5 Å²	5	35.1 Å²	35.1	5%	0.052	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-58.6	-20.3	171.2	0	0	0	0	0	114.1	D639 W641 Y645 W654 W655	D639-G643 VanDerWaalsContact O-CA 3.29Å; D639-G643 WeakPolarHBondContact O-CA 3.46Å; D639-G643 PolarHBondContact O-N 3.07Å; W641-G643 PolarHBondContact O-N 3.21Å; G643-Y645 VanDerWaalsContact C-N 3.3Å; G643-Y645 PolarHBondContact O-N 3.16Å; G643-W654 VanDerWaalsContact O-CE2 3.29Å; G643-W654 WeakPolarHBondContact O-CZ2 3.35Å; G643-W654 PolarHBondContact O-NE1 2.79Å; G643-W655 PolarHBondContact O-NE1 2.98Å
644	Q	94.8	Very high	95.7	Very high	27 Å²	27	36.4 Å²	36.4	13%	0.126	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-79.3	-11.4	177.7	-55.1	180	42.9	0	0	113.5	K353 D640 W641 G642 L651 K652	K353-Q644 PolarHBondContact O-NE2 2.83Å; D640-Q644 PolarHBondContact O-NE2 3.41Å; W641-Q644 WeakPolarHBondContact O-CB 3.46Å; W641-Q644 WeakPolarHBondContact O-CG 3.38Å; W641-Q644 PolarHBondContact O-N 3.17Å; G642-Q644 PolarHBondContact O-N 3.42Å; G642-Q644 VanDerWaalsContact O-N 3.14Å; Q644-L651 HydrophobicContact CB-CD1 3.66Å; Q644-K652 PolarHBondContact O-N 2.99Å
645	Y	97.1	Very high	95.6	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.008	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-103.6	139.8	-176.9	-66.1	-95.1	0	0	0	112.1	D273 I355 K522 P596 N597 G642 G643 G649 N650 L651 W654	D273-Y645 HydrophobicContact CB-CE1 4.19Å; D273-Y645 PolarHBondContact OD1-OH 3.05Å; I355-Y645 HydrophobicContact CD1-CD2 4.4Å; I355-Y645 HydrophobicContact CD1-CE2 3.27Å; I355-Y645 WeakPolarHBondContact CD1-OH 3.44Å; K522-Y645 WeakPolarHBondContact CE-O 3.28Å; K522-Y645 PolarHBondContact NZ-O 3.49Å; P596-Y645 HydrophobicContact CB-CD1 4.25Å; P596-Y645 HydrophobicContact CB-CD2 3.31Å; P596-Y645 HydrophobicContact CB-CE1 4.48Å; P596-Y645 HydrophobicContact CB-CE2 3.54Å; P596-Y645 HydrophobicContact CB-CG 3.67Å; P596-Y645 HydrophobicContact CG-CD2 4.3Å; P596-Y645 HydrophobicContact CG-CE2 4.26Å; N597-Y645 WeakPolarHBondContact OD1-CE1 3.5Å; G642-Y645 PolarHBondContact O-N 2.99Å; G642-Y645 VanDerWaalsContact O-N 3.08Å; G643-Y645 VanDerWaalsContact C-N 3.3Å; G643-Y645 PolarHBondContact O-N 3.16Å; Y645-G649 WeakPolarHBondContact CD1-O 3.34Å; Y645-N650 CarbonylContact C-O 3.44Å; Y645-N650 WeakPolarHBondContact CA-O 3.16Å; Y645-L651 HydrophobicContact CD1-CB 4.18Å; Y645-L651 HydrophobicContact CE1-CB 3.92Å; Y645-L651 HydrophobicContact CE1-CD1 4.5Å; Y645-L651 HydrophobicContact CE2-CD1 4.49Å; Y645-W654 PolarHBondContact O-NE1 3.45Å
646	D	96.9	Very high	95.5	Very high	18 Å²	18	39.3 Å²	39.3	10%	0.096	17%	0.174	C	C	.	.			trans	-76	-177	177.1	77.3	8.5	0	0	0	113	Y648 G649 N650 K652	D646-Y648 PolarHBondContact O-N 2.93Å; D646-Y648 VanDerWaalsContact O-N 3.13Å; D646-Y648 WeakPolarHBondContact OD1-CA 3.24Å; D646-Y648 WeakPolarHBondContact OD1-CB 3.37Å; D646-Y648 PolarHBondContact OD1-N 3.21Å; D646-G649 PolarHBondContact O-N 2.91Å; D646-G649 PolarHBondContact OD1-N 3.46Å; D646-G649 VanDerWaalsContact OD1-N 3.12Å; D646-N650 PolarHBondContact N-O 3.26Å; D646-N650 PolarHBondContact OD1-N 2.56Å; D646-K652 HydrophobicContact CB-CB 4.33Å
647	R	97	Very high	95.4	Very high	104 Å²	104	45.1 Å²	45.1	39%	0.392	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.2	-179.6	71.4	-173	-176.4	-153.6	0.2	115.2	K522 H525 N599	K522-R647 HydrophobicContact CB-CB 4.16Å; H525-R647 HydrophobicContact CB-CB 4.11Å; H525-R647 WeakPolarHBondContact CB-O 3.49Å; N599-R647 PolarHBondContact ND2-O 2.94Å; N599-R647 VanDerWaalsContact ND2-O 3.15Å
648	Y	96.8	Very high	95.4	Very high	104 Å²	104	50 Å²	50	41%	0.408	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-9.3	178.9	-59.3	-66	0	0	0	112.5	S276 K580 D646	S276-Y648 PolarHBondContact OG-O 3.35Å; K580-Y648 PolarHBondContact NZ-O 2.98Å; D646-Y648 PolarHBondContact O-N 2.93Å; D646-Y648 VanDerWaalsContact O-N 3.13Å; D646-Y648 WeakPolarHBondContact OD1-CA 3.24Å; D646-Y648 WeakPolarHBondContact OD1-CB 3.37Å; D646-Y648 PolarHBondContact OD1-N 3.21Å
649	G	96.6	Very high	95.4	Very high	0 Å²	0	50 Å²	50	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	89.9	24.6	-175.2	0	0	0	0	0	113.4	S276 P596 N597 Y645 D646	S276-G649 WeakPolarHBondContact CB-O 3.33Å; P596-G649 WeakPolarHBondContact O-CA 3.1Å; N597-G649 WeakPolarHBondContact CA-O 2.99Å; N597-G649 PolarHBondContact OD1-O 3.49Å; Y645-G649 WeakPolarHBondContact CD1-O 3.34Å; D646-G649 PolarHBondContact O-N 2.91Å; D646-G649 PolarHBondContact OD1-N 3.46Å; D646-G649 VanDerWaalsContact OD1-N 3.12Å
650	N	97.5	Very high	95.4	Very high	30 Å²	30	52.7 Å²	52.7	16%	0.16	23%	0.234	C	C	.	.			trans	-98.3	135	173	-48.8	-57.5	0	0	0	110.5	D273 S276 Y645 D646 K652	D273-N650 CarbonylContact O-C 3.37Å; D273-N650 WeakPolarHBondContact O-CA 3.46Å; S276-N650 WeakPolarHBondContact CB-OD1 3.32Å; S276-N650 PolarHBondContact N-OD1 3.43Å; S276-N650 PolarHBondContact OG-OD1 3.42Å; Y645-N650 CarbonylContact C-O 3.44Å; Y645-N650 WeakPolarHBondContact CA-O 3.16Å; D646-N650 PolarHBondContact N-O 3.26Å; D646-N650 PolarHBondContact OD1-N 2.56Å; N650-K652 PolarHBondContact O-N 2.83Å
651	L	95.4	Very high	95.6	Very high	18 Å²	18	58 Å²	58	9%	0.094	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-60.6	103.4	171	-177.1	64.4	0	0	0	109.3	D273 K274 I355 Q644 Y645	D273-L651 HydrophobicContact CB-CB 4.2Å; D273-L651 HydrophobicContact CB-CD2 4.33Å; D273-L651 VanDerWaalsContact O-CB 3.27Å; D273-L651 WeakPolarHBondContact O-CB 3.22Å; D273-L651 PolarHBondContact O-N 3.11Å; K274-L651 HydrophobicContact CG-CB 4.39Å; I355-L651 HydrophobicContact CB-CD1 4.15Å; I355-L651 HydrophobicContact CB-CD2 4.09Å; I355-L651 HydrophobicContact CD1-CD1 4.29Å; I355-L651 HydrophobicContact CG2-CD2 3.85Å; Q644-L651 HydrophobicContact CB-CD1 3.66Å; Y645-L651 HydrophobicContact CD1-CB 4.18Å; Y645-L651 HydrophobicContact CE1-CB 3.92Å; Y645-L651 HydrophobicContact CE1-CD1 4.5Å; Y645-L651 HydrophobicContact CE2-CD1 4.49Å
652	K	93.8	Very high	95.9	Very high	130 Å²	130	54.6 Å²	54.6	57%	0.565	24%	0.24	S	C	*	.			trans	-156.7	133.6	-171.6	-178	175.5	-178.9	177.9	0	109.7	Q644 D646 N650 W654	Q644-K652 PolarHBondContact O-N 2.99Å; D646-K652 HydrophobicContact CB-CB 4.33Å; N650-K652 PolarHBondContact O-N 2.83Å; K652-W654 PolarHBondContact O-N 3.25Å; K652-W654 VanDerWaalsContact O-N 3.09Å
653	Q	90.6	Very high	96	Very high	105 Å²	105	55 Å²	55	49%	0.491	24%	0.242	S	C	.	.			trans	-70.4	108.4	172.6	-177.3	61.3	-60.7	0	0	110	W655	Q653-W655 VanDerWaalsContact OE1-CD1 3.24Å
654	W	95.1	Very high	96	Very high	38 Å²	38	59.1 Å²	59.1	14%	0.144	26%	0.26	C	S	.	.			trans	-112.1	-2.8	176.2	57.6	-94.3	0	0	0	112.9	T515 A518 A519 K522 Y638 G643 Y645 K652	T515-W654 HydrophobicContact CG2-CE3 4.49Å; T515-W654 HydrophobicContact CG2-CZ3 4.09Å; A518-W654 HydrophobicContact CB-CE3 3.72Å; A518-W654 HydrophobicContact CB-CZ3 4.3Å; A519-W654 HydrophobicContact CB-CH2 4.34Å; A519-W654 HydrophobicContact CB-CZ3 4.1Å; K522-W654 HydrophobicContact CD-CZ2 4.28Å; Y638-W654 HydrophobicContact CD1-CH2 4.19Å; G643-W654 VanDerWaalsContact O-CE2 3.29Å; G643-W654 WeakPolarHBondContact O-CZ2 3.35Å; G643-W654 PolarHBondContact O-NE1 2.79Å; Y645-W654 PolarHBondContact O-NE1 3.45Å; K652-W654 PolarHBondContact O-N 3.25Å; K652-W654 VanDerWaalsContact O-N 3.09Å
655	W	95.6	Very high	96.1	Very high	14 Å²	14	65.4 Å²	65.4	5%	0.053	29%	0.287	C	S	.	.	S	Bend	trans	-85.1	147.8	172.2	-55.8	74.6	0	0	0	110.4	W510 M511 T515 G643 Q653 Y660 F663 W795	W510-W655 HydrophobicContact CH2-CH2 4.19Å; W510-W655 AromaticContact CH2-CZ3 3.82Å; W510-W655 HydrophobicContact CH2-CZ3 3.82Å; W510-W655 AromaticContact CZ3-CZ3 3.83Å; W510-W655 HydrophobicContact CZ3-CZ3 3.83Å; M511-W655 HydrophobicContact CE-CZ3 4.2Å; T515-W655 HydrophobicContact CG2-CB 4.44Å; T515-W655 HydrophobicContact CG2-CD2 4.04Å; T515-W655 HydrophobicContact CG2-CE3 3.51Å; T515-W655 HydrophobicContact CG2-CG 4.44Å; T515-W655 HydrophobicContact CG2-CZ3 4.18Å; G643-W655 PolarHBondContact O-NE1 2.98Å; Q653-W655 VanDerWaalsContact OE1-CD1 3.24Å; W655-Y660 HydrophobicContact CG-CD2 4.33Å; W655-F663 HydrophobicContact CH2-CB 4.37Å; W655-F663 AromaticContact CH2-CD2 3.95Å; W655-F663 HydrophobicContact CH2-CD2 3.95Å; W655-F663 HydrophobicContact CH2-CG 4.18Å; W655-F663 HydrophobicContact CZ3-CB 4.13Å; W655-F663 HydrophobicContact CZ3-CD2 4.47Å; W655-F663 HydrophobicContact CZ3-CG 4.43Å; W655-W795 AromaticContact CH2-CH2 3.45Å; W655-W795 HydrophobicContact CH2-CH2 3.45Å; W655-W795 VanDerWaalsContact CH2-CH2 3.45Å; W655-W795 AromaticContact CH2-CZ2 3.77Å; W655-W795 HydrophobicContact CH2-CZ2 3.77Å; W655-W795 HydrophobicContact CZ2-CH2 4.33Å; W655-W795 HydrophobicContact CZ2-CZ2 4.49Å; W655-W795 HydrophobicContact CZ3-CH2 4.15Å
656	T	96.8	Very high	96.1	Very high	48 Å²	48	68.3 Å²	68.3	29%	0.294	30%	0.299	S	S	.	.			trans	-70	157.5	159.2	76.4	0	0	0	0	109.9	D512 T515 E658 S659 Y660	D512-T656 WeakPolarHBondContact OD1-CG2 3.13Å; D512-T656 WeakPolarHBondContact OD2-CB 3.21Å; D512-T656 WeakPolarHBondContact OD2-CG2 3.19Å; D512-T656 PolarHBondContact OD2-OG1 3.22Å; T515-T656 PolarHBondContact OG1-N 3.19Å; T656-E658 PolarHBondContact O-N 3.34Å; T656-E658 PolarHBondContact OG1-N 2.91Å; T656-S659 PolarHBondContact O-N 2.99Å; T656-S659 PolarHBondContact OG1-N 3.47Å; T656-S659 PolarHBondContact OG1-OG 3.07Å; T656-Y660 WeakPolarHBondContact O-CB 3.37Å; T656-Y660 PolarHBondContact O-N 3.49Å
657	Q	95.8	Very high	96.1	Very high	140 Å²	140	67.7 Å²	67.7	65%	0.654	30%	0.297	S	S	*	.	H	α-helix	trans	-59.5	-35.4	176.9	-170.3	62.9	22.8	0	0	112.6	R661	Q657-R661 WeakPolarHBondContact O-CB 3.41Å; Q657-R661 PolarHBondContact O-N 3.43Å
658	E	96.8	Very high	96.1	Very high	103 Å²	103	65.6 Å²	65.6	48%	0.481	29%	0.292	S	S	.	.	H	α-helix	trans	-69.2	-49.2	-179.5	-172.8	-176.5	163.3	0	0	111.6	T656 Y660 R661 K662	T656-E658 PolarHBondContact O-N 3.34Å; T656-E658 PolarHBondContact OG1-N 2.91Å; E658-Y660 VanDerWaalsContact C-N 3.34Å; E658-Y660 PolarHBondContact O-N 3.31Å; E658-R661 PolarHBondContact O-N 2.97Å; E658-K662 HydrophobicContact CG-CD 4.46Å; E658-K662 WeakPolarHBondContact O-CG 3.11Å; E658-K662 PolarHBondContact O-N 2.81Å; E658-K662 VanDerWaalsContact O-N 3.07Å; E658-K662 WeakPolarHBondContact OE1-CE 3.31Å; E658-K662 IonicContact OE1-NZ 3.21Å; E658-K662 PolarHBondContact OE1-NZ 2.9Å
659	S	97.7	Very high	96.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-41.6	178.8	-71.2	0	0	0	0	111.1	D512 T515 T656 R661 K662 F663	D512-S659 VanDerWaalsContact CG-OG 3.27Å; D512-S659 PolarHBondContact N-OG 3.12Å; D512-S659 PolarHBondContact OD2-OG 3Å; T515-S659 WeakPolarHBondContact OG1-CB 3.46Å; T515-S659 PolarHBondContact OG1-OG 2.81Å; T656-S659 PolarHBondContact O-N 2.99Å; T656-S659 PolarHBondContact OG1-N 3.47Å; T656-S659 PolarHBondContact OG1-OG 3.07Å; S659-R661 PolarHBondContact O-N 3.33Å; S659-K662 PolarHBondContact O-N 3.28Å; S659-F663 PolarHBondContact O-N 2.9Å
660	Y	95.8	Very high	96.2	Very high	61 Å²	61	62.9 Å²	62.9	24%	0.239	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-43.2	176.6	-172.6	-111.2	0	0	0	112.5	W655 T656 E658 K662 F663 Q664	W655-Y660 HydrophobicContact CG-CD2 4.33Å; T656-Y660 WeakPolarHBondContact O-CB 3.37Å; T656-Y660 PolarHBondContact O-N 3.49Å; E658-Y660 VanDerWaalsContact C-N 3.34Å; E658-Y660 PolarHBondContact O-N 3.31Å; Y660-K662 VanDerWaalsContact C-N 3.3Å; Y660-K662 PolarHBondContact O-N 3.35Å; Y660-F663 HydrophobicContact CE2-CD1 4.4Å; Y660-F663 WeakPolarHBondContact O-CB 2.88Å; Y660-F663 PolarHBondContact O-N 3.39Å; Y660-Q664 HydrophobicContact CD1-CG 4.36Å; Y660-Q664 VanDerWaalsContact CE1-CD 3.42Å; Y660-Q664 HydrophobicContact CE1-CG 4.02Å; Y660-Q664 VanDerWaalsContact CE1-NE2 3.26Å; Y660-Q664 WeakPolarHBondContact O-CG 3.36Å; Y660-Q664 PolarHBondContact O-N 2.76Å
661	R	96.3	Very high	96.2	Very high	143 Å²	143	61.6 Å²	61.6	54%	0.54	28%	0.28	S	S	.	.	H	α-helix	trans	-62.3	-37.5	175.9	-170.5	-173.3	68.5	88.6	-0.8	112.2	Q657 E658 S659 K665	Q657-R661 WeakPolarHBondContact O-CB 3.41Å; Q657-R661 PolarHBondContact O-N 3.43Å; E658-R661 PolarHBondContact O-N 2.97Å; S659-R661 PolarHBondContact O-N 3.33Å; R661-K665 PolarHBondContact O-N 3.27Å; R661-K665 VanDerWaalsContact O-N 3.09Å
662	K	97.6	Very high	96.3	Very high	56 Å²	56	67 Å²	67	24%	0.243	30%	0.303	C	S	.	.	H	α-helix	trans	-69.6	-39.1	175.9	-73	173.6	-177.6	169.9	0	111.7	W510 E658 S659 Y660 K665 K666	W510-K662 HydrophobicContact CB-CB 4.37Å; W510-K662 HydrophobicContact CB-CD 4.23Å; W510-K662 HydrophobicContact CE3-CB 4.02Å; W510-K662 WeakPolarHBondContact O-CD 3.5Å; E658-K662 HydrophobicContact CG-CD 4.46Å; E658-K662 WeakPolarHBondContact O-CG 3.11Å; E658-K662 PolarHBondContact O-N 2.81Å; E658-K662 VanDerWaalsContact O-N 3.07Å; E658-K662 WeakPolarHBondContact OE1-CE 3.31Å; E658-K662 IonicContact OE1-NZ 3.21Å; E658-K662 PolarHBondContact OE1-NZ 2.9Å; S659-K662 PolarHBondContact O-N 3.28Å; Y660-K662 VanDerWaalsContact C-N 3.3Å; Y660-K662 PolarHBondContact O-N 3.35Å; K662-K665 PolarHBondContact O-N 2.92Å; K662-K666 PolarHBondContact O-N 3.39Å; K662-K666 VanDerWaalsContact O-N 3.08Å
663	F	97.2	Very high	96.4	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.035	28%	0.284	C	S	.	.	H	α-helix	trans	-56.4	-53	170.7	171.7	-97.9	0	0	0	110.9	W510 D640 W655 S659 Y660 K665 K666 A667 I694 V794 W795	W510-F663 HydrophobicContact CH2-CB 4.09Å; W510-F663 HydrophobicContact CH2-CD2 4.04Å; W510-F663 HydrophobicContact CZ3-CB 3.71Å; D640-F663 HydrophobicContact CB-CE1 4.46Å; D640-F663 HydrophobicContact CB-CZ 4.47Å; W655-F663 HydrophobicContact CH2-CB 4.37Å; W655-F663 AromaticContact CH2-CD2 3.95Å; W655-F663 HydrophobicContact CH2-CD2 3.95Å; W655-F663 HydrophobicContact CH2-CG 4.18Å; W655-F663 HydrophobicContact CZ3-CB 4.13Å; W655-F663 HydrophobicContact CZ3-CD2 4.47Å; W655-F663 HydrophobicContact CZ3-CG 4.43Å; S659-F663 PolarHBondContact O-N 2.9Å; Y660-F663 HydrophobicContact CE2-CD1 4.4Å; Y660-F663 WeakPolarHBondContact O-CB 2.88Å; Y660-F663 PolarHBondContact O-N 3.39Å; F663-K665 VanDerWaalsContact C-N 3.3Å; F663-K665 PolarHBondContact O-N 3.49Å; F663-K666 PolarHBondContact O-N 3.07Å; F663-A667 WeakPolarHBondContact O-CB 3.43Å; F663-A667 PolarHBondContact O-N 2.81Å; F663-I694 HydrophobicContact CE2-CD1 4.5Å; F663-I694 HydrophobicContact CZ-CD1 4.18Å; F663-V794 HydrophobicContact CD2-CG1 3.73Å; F663-V794 HydrophobicContact CE2-CG1 3.81Å; F663-W795 AromaticContact CD2-CZ2 3.99Å; F663-W795 HydrophobicContact CD2-CZ2 3.99Å; F663-W795 AromaticContact CE2-CZ2 3.88Å; F663-W795 HydrophobicContact CE2-CZ2 3.88Å
664	Q	95.3	Very high	96.7	Very high	92 Å²	92	57.3 Å²	57.3	43%	0.43	26%	0.261	S	S	.	.	H	α-helix	trans	-56.4	-42.8	178.7	-71	179.2	-47.3	0	0	112.2	Y660 K666 A667 E668	Y660-Q664 HydrophobicContact CD1-CG 4.36Å; Y660-Q664 VanDerWaalsContact CE1-CD 3.42Å; Y660-Q664 HydrophobicContact CE1-CG 4.02Å; Y660-Q664 VanDerWaalsContact CE1-NE2 3.26Å; Y660-Q664 WeakPolarHBondContact O-CG 3.36Å; Y660-Q664 PolarHBondContact O-N 2.76Å; Q664-K666 VanDerWaalsContact C-N 3.33Å; Q664-K666 PolarHBondContact O-N 3.31Å; Q664-A667 PolarHBondContact O-N 2.83Å; Q664-E668 WeakPolarHBondContact O-CB 3.48Å; Q664-E668 PolarHBondContact O-N 3.43Å
665	K	97.1	Very high	96.7	Very high	160 Å²	160	58.4 Å²	58.4	70%	0.696	27%	0.269	S	S	*	.	H	α-helix	trans	-62.1	-39.1	176.8	-174.1	179.2	178.3	-175.6	0	112.5	R661 K662 F663 C669	R661-K665 PolarHBondContact O-N 3.27Å; R661-K665 VanDerWaalsContact O-N 3.09Å; K662-K665 PolarHBondContact O-N 2.92Å; F663-K665 VanDerWaalsContact C-N 3.3Å; F663-K665 PolarHBondContact O-N 3.49Å; K665-C669 PolarHBondContact O-N 3.48Å
666	K	97.4	Very high	96.7	Very high	62 Å²	62	62.7 Å²	62.7	27%	0.27	29%	0.293	S	S	.	.	H	α-helix	trans	-72.5	-40	177.4	-74	173.8	163.1	-78.2	0	111.7	W510 K662 F663 Q664 E668 C669 I670 S793 V794	W510-K666 HydrophobicContact CB-CD 4.37Å; W510-K666 HydrophobicContact CD2-CD 3.85Å; W510-K666 HydrophobicContact CE3-CD 4.5Å; W510-K666 HydrophobicContact CG-CD 3.79Å; K662-K666 PolarHBondContact O-N 3.39Å; K662-K666 VanDerWaalsContact O-N 3.08Å; F663-K666 PolarHBondContact O-N 3.07Å; Q664-K666 VanDerWaalsContact C-N 3.33Å; Q664-K666 PolarHBondContact O-N 3.31Å; K666-E668 VanDerWaalsContact C-N 3.34Å; K666-C669 WeakPolarHBondContact O-CB 3.48Å; K666-C669 PolarHBondContact O-N 3.44Å; K666-I670 PolarHBondContact O-N 2.97Å; K666-S793 WeakPolarHBondContact CD-O 3.41Å; K666-S793 PolarHBondContact NZ-O 2.96Å; K666-V794 HydrophobicContact CB-CG2 3.9Å
667	A	96.6	Very high	96.6	Very high	6 Å²	6	60.6 Å²	60.6	5%	0.05	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-41.7	174.3	0	0	0	0	0	111.6	F663 Q664 C669 I670 V671 L690 I694	F663-A667 WeakPolarHBondContact O-CB 3.43Å; F663-A667 PolarHBondContact O-N 2.81Å; Q664-A667 PolarHBondContact O-N 2.83Å; A667-C669 PolarHBondContact O-N 2.63Å; A667-I670 WeakPolarHBondContact O-CA 3.48Å; A667-I670 WeakPolarHBondContact O-CB 3.12Å; A667-I670 PolarHBondContact O-N 3.33Å; A667-V671 PolarHBondContact O-N 2.98Å; A667-L690 HydrophobicContact CB-CD1 4.2Å; A667-L690 HydrophobicContact CB-CD2 4.19Å; A667-I694 HydrophobicContact CB-CD1 4.28Å
668	E	96.9	Very high	96.4	Very high	59 Å²	59	55.7 Å²	55.7	28%	0.276	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-28.1	175.6	-175.3	63.5	-155.3	0	0	112.9	Q664 K666 K672 R687	Q664-E668 WeakPolarHBondContact O-CB 3.48Å; Q664-E668 PolarHBondContact O-N 3.43Å; K666-E668 VanDerWaalsContact C-N 3.34Å; E668-K672 WeakPolarHBondContact O-CG 3.47Å; E668-K672 PolarHBondContact O-N 3.2Å; E668-K672 VanDerWaalsContact O-N 3.14Å; E668-K672 VanDerWaalsContact OE1-CE 3.3Å; E668-K672 WeakPolarHBondContact OE1-CE 3.34Å; E668-R687 IonicContact OE1-NH2 3.78Å; E668-R687 PolarHBondContact OE1-NH2 3.19Å; E668-R687 VanDerWaalsContact OE1-NH2 3.16Å; E668-R687 IonicContact OE2-CZ 2.97Å; E668-R687 IonicContact OE2-NH1 3.56Å; E668-R687 IonicContact OE2-NH2 2.69Å; E668-R687 PolarHBondContact OE2-NH2 3.08Å
669	C	97.9	Very high	96	Very high	47 Å²	47	50.9 Å²	50.9	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-62.7	-45.3	170.7	-168.1	0	0	0	0	110.8	K665 K666 A667 K672 L673 C792	K665-C669 PolarHBondContact O-N 3.48Å; K666-C669 WeakPolarHBondContact O-CB 3.48Å; K666-C669 PolarHBondContact O-N 3.44Å; A667-C669 PolarHBondContact O-N 2.63Å; C669-K672 PolarHBondContact O-N 2.76Å; C669-L673 PolarHBondContact O-N 3Å; C669-C792 HydrophobicContact CB-CB 3.76Å; C669-C792 WeakPolarHBondContact CB-SG 3.4Å; C669-C792 PolarHBondContact O-SG 3.37Å; C669-C792 WeakPolarHBondContact SG-CA 3.26Å; C669-C792 WeakPolarHBondContact SG-CB 3.48Å; C669-C792 CovalentContact SG-SG 2.05Å; C669-C792 PolarHBondContact SG-SG 2.8Å
670	I	97.9	Very high	95.4	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-42.1	179.3	-63.3	173.5	0	0	0	110.5	K666 A667 K672 L673 Y674 L690 N693 I694 M697 C792 V794	K666-I670 PolarHBondContact O-N 2.97Å; A667-I670 WeakPolarHBondContact O-CA 3.48Å; A667-I670 WeakPolarHBondContact O-CB 3.12Å; A667-I670 PolarHBondContact O-N 3.33Å; I670-K672 VanDerWaalsContact C-N 3.33Å; I670-K672 PolarHBondContact O-N 3.41Å; I670-L673 WeakPolarHBondContact O-CB 3.45Å; I670-L673 PolarHBondContact O-N 3.49Å; I670-Y674 HydrophobicContact CG2-CD2 3.86Å; I670-Y674 HydrophobicContact CG2-CE2 3.98Å; I670-Y674 WeakPolarHBondContact O-CD2 3.48Å; I670-Y674 PolarHBondContact O-N 3.1Å; I670-L690 HydrophobicContact CB-CD1 4.07Å; I670-L690 HydrophobicContact CG2-CD1 4.02Å; I670-N693 HydrophobicContact CG2-CB 3.63Å; I670-I694 HydrophobicContact CD1-CG1 3.72Å; I670-M697 HydrophobicContact CD1-CE 4.47Å; I670-M697 HydrophobicContact CD1-SD 3.64Å; I670-M697 HydrophobicContact CG1-CE 4.39Å; I670-M697 HydrophobicContact CG1-SD 3.81Å; I670-M697 HydrophobicContact CG2-SD 4.15Å; I670-C792 HydrophobicContact CG1-CB 3.9Å; I670-V794 HydrophobicContact CD1-CG2 3.72Å
671	V	96.4	Very high	94.9	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-51.7	-54.3	173	171	0	0	0	0	110.4	A667 L673 Y674 D675 R687 L690	A667-V671 PolarHBondContact O-N 2.98Å; V671-L673 VanDerWaalsContact C-N 3.32Å; V671-L673 PolarHBondContact O-N 3.22Å; V671-Y674 PolarHBondContact O-N 3.25Å; V671-Y674 VanDerWaalsContact O-N 3.17Å; V671-D675 WeakPolarHBondContact CG1-OD2 3.32Å; V671-D675 WeakPolarHBondContact O-CB 3.32Å; V671-D675 VanDerWaalsContact O-CG 3.27Å; V671-D675 PolarHBondContact O-N 3.47Å; V671-R687 HydrophobicContact CB-CG 4.48Å; V671-R687 HydrophobicContact CG1-CG 3.47Å; V671-R687 VanDerWaalsContact CG1-CG 3.47Å; V671-R687 HydrophobicContact CG2-CG 4.14Å; V671-L690 HydrophobicContact CG2-CB 4.48Å; V671-L690 HydrophobicContact CG2-CD1 3.82Å; V671-L690 HydrophobicContact CG2-CD2 3.93Å; V671-L690 HydrophobicContact CG2-CG 4.3Å
672	K	96.9	Very high	94.5	Very high	131 Å²	131	54 Å²	54	57%	0.57	26%	0.263	S	S	*	.	H	α-helix	trans	-63.9	-35.4	-178.8	-70.8	173.6	-178.3	176.2	0	113.5	E668 C669 I670 N676	E668-K672 WeakPolarHBondContact O-CG 3.47Å; E668-K672 PolarHBondContact O-N 3.2Å; E668-K672 VanDerWaalsContact O-N 3.14Å; E668-K672 VanDerWaalsContact OE1-CE 3.3Å; E668-K672 WeakPolarHBondContact OE1-CE 3.34Å; C669-K672 PolarHBondContact O-N 2.76Å; I670-K672 VanDerWaalsContact C-N 3.33Å; I670-K672 PolarHBondContact O-N 3.41Å; K672-N676 PolarHBondContact O-N 3.3Å
673	L	96.6	Very high	94.2	Very high	32 Å²	32	56.8 Å²	56.8	17%	0.168	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-49.8	174.4	171.9	65.1	0	0	0	110.3	C669 I670 V671 N676 Q770	C669-L673 PolarHBondContact O-N 3Å; I670-L673 WeakPolarHBondContact O-CB 3.45Å; I670-L673 PolarHBondContact O-N 3.49Å; V671-L673 VanDerWaalsContact C-N 3.32Å; V671-L673 PolarHBondContact O-N 3.22Å; L673-N676 WeakPolarHBondContact O-CB 3.46Å; L673-N676 PolarHBondContact O-N 3.47Å; L673-Q770 HydrophobicContact CD2-CG 3.49Å; L673-Q770 VanDerWaalsContact CD2-CG 3.49Å
674	Y	96.7	Very high	94	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-76.8	-32.1	-175.6	-81.2	-100.9	0	0	0	113.2	I670 V671 N676 F677 N693 A758 C762	I670-Y674 HydrophobicContact CG2-CD2 3.86Å; I670-Y674 HydrophobicContact CG2-CE2 3.98Å; I670-Y674 WeakPolarHBondContact O-CD2 3.48Å; I670-Y674 PolarHBondContact O-N 3.1Å; V671-Y674 PolarHBondContact O-N 3.25Å; V671-Y674 VanDerWaalsContact O-N 3.17Å; Y674-N676 PolarHBondContact O-N 2.84Å; Y674-F677 AromaticContact CD1-CD2 3.83Å; Y674-F677 HydrophobicContact CD1-CD2 3.83Å; Y674-F677 AromaticContact CD1-CE2 3.91Å; Y674-F677 HydrophobicContact CD1-CE2 3.91Å; Y674-F677 HydrophobicContact CE1-CD2 4.41Å; Y674-F677 HydrophobicContact CE1-CE2 4.11Å; Y674-F677 HydrophobicContact CG-CD2 4.15Å; Y674-F677 HydrophobicContact CG-CE2 4.16Å; Y674-F677 PolarHBondContact O-N 3.27Å; Y674-N693 WeakPolarHBondContact CD1-ND2 3.17Å; Y674-N693 HydrophobicContact CD2-CB 4.09Å; Y674-N693 WeakPolarHBondContact CD2-ND2 3.35Å; Y674-N693 HydrophobicContact CE1-CB 4.33Å; Y674-N693 VanDerWaalsContact CE1-CG 3.43Å; Y674-N693 WeakPolarHBondContact CE1-OD1 3.49Å; Y674-N693 HydrophobicContact CE2-CB 3.66Å; Y674-N693 VanDerWaalsContact CZ-OD1 3.28Å; Y674-A758 HydrophobicContact CD1-CB 3.78Å; Y674-A758 HydrophobicContact CE1-CB 3.65Å; Y674-C762 HydrophobicContact CE1-CB 4.34Å
675	D	95.8	Very high	93.9	Very high	61 Å²	61	54.3 Å²	54.3	33%	0.326	27%	0.265	S	S	.	.	H	α-helix	trans	-57.8	-20.4	169.7	-73.8	-18.5	0	0	0	112.6	V671 K683 V684 G686	V671-D675 WeakPolarHBondContact CG1-OD2 3.32Å; V671-D675 WeakPolarHBondContact O-CB 3.32Å; V671-D675 VanDerWaalsContact O-CG 3.27Å; V671-D675 PolarHBondContact O-N 3.47Å; D675-K683 WeakPolarHBondContact O-CD 3.37Å; D675-V684 WeakPolarHBondContact CA-O 3.38Å; D675-G686 WeakPolarHBondContact OD1-CA 3.18Å; D675-G686 PolarHBondContact OD1-N 3.02Å
676	N	94.9	Very high	93.7	Very high	104 Å²	104	46.7 Å²	46.7	56%	0.556	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-23.6	177.9	-159.9	27.9	0	0	0	113	K672 L673 Y674 K683	K672-N676 PolarHBondContact O-N 3.3Å; L673-N676 WeakPolarHBondContact O-CB 3.46Å; L673-N676 PolarHBondContact O-N 3.47Å; Y674-N676 PolarHBondContact O-N 2.84Å; N676-K683 PolarHBondContact O-NZ 2.88Å
677	F	94.3	Very high	93.5	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.022	23%	0.234	C	C	.	.			trans	-67	143	177.5	-68.9	-61.9	0	0	0	111.5	L7 T8 Y674 K683 V684 C762 L765	L7-F677 HydrophobicContact CB-CD1 4.24Å; L7-F677 HydrophobicContact CB-CE1 4.01Å; L7-F677 HydrophobicContact CD1-CD1 4.38Å; L7-F677 HydrophobicContact CD1-CE1 3.8Å; T8-F677 HydrophobicContact CG2-CD1 4.32Å; Y674-F677 AromaticContact CD1-CD2 3.83Å; Y674-F677 HydrophobicContact CD1-CD2 3.83Å; Y674-F677 AromaticContact CD1-CE2 3.91Å; Y674-F677 HydrophobicContact CD1-CE2 3.91Å; Y674-F677 HydrophobicContact CE1-CD2 4.41Å; Y674-F677 HydrophobicContact CE1-CE2 4.11Å; Y674-F677 HydrophobicContact CG-CD2 4.15Å; Y674-F677 HydrophobicContact CG-CE2 4.16Å; Y674-F677 PolarHBondContact O-N 3.27Å; F677-K683 WeakPolarHBondContact O-CA 3.45Å; F677-V684 HydrophobicContact CB-CB 4.13Å; F677-V684 HydrophobicContact CB-CG2 3.78Å; F677-V684 PolarHBondContact O-N 3.28Å; F677-V684 VanDerWaalsContact O-N 3.09Å; F677-C762 HydrophobicContact CD2-CB 3.98Å; F677-C762 HydrophobicContact CE2-CB 4.26Å; F677-C762 HydrophobicContact CG-CB 4.24Å; F677-C762 VanDerWaalsContact CG-SG 3.56Å; F677-L765 HydrophobicContact CE1-CB 4.32Å; F677-L765 HydrophobicContact CZ-CB 4.28Å
678	T	91.5	Very high	93.2	Very high	37 Å²	37	48 Å²	48	23%	0.227	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.2	175.9	-54.9	0	0	0	0	108.4	T8 Q682 K683	T8-T678 WeakPolarHBondContact CB-O 3.34Å; T8-T678 WeakPolarHBondContact CG2-O 3.08Å; T8-T678 PolarHBondContact OG1-O 2.95Å; T678-Q682 CarbonylContact C-O 3.57Å; T678-Q682 VanDerWaalsContact CA-O 3.29Å; T678-Q682 WeakPolarHBondContact CA-O 3.49Å; T678-K683 VanDerWaalsContact OG1-CE 3.25Å; T678-K683 WeakPolarHBondContact OG1-CE 3.48Å; T678-K683 PolarHBondContact OG1-NZ 3.23Å
679	V	89.3	Confident	93.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	133.4	-178.3	-173.4	0	0	0	0	107	T8 N681 Q682 V684 I748 L752 P759 H761	T8-V679 HydrophobicContact CG2-CG2 4.4Å; V679-N681 PolarHBondContact O-N 3.32Å; V679-Q682 PolarHBondContact N-O 3.01Å; V679-Q682 PolarHBondContact O-N 3.11Å; V679-V684 HydrophobicContact CG2-CG2 3.92Å; V679-I748 HydrophobicContact CG1-CG2 3.85Å; V679-L752 WeakPolarHBondContact O-CD1 2.99Å; V679-P759 HydrophobicContact CB-CG 4.48Å; V679-P759 HydrophobicContact CG1-CG 4.47Å; V679-P759 HydrophobicContact CG2-CB 4.32Å; V679-P759 HydrophobicContact CG2-CG 4.12Å; V679-H761 VanDerWaalsContact CG2-CE1 3.42Å; V679-H761 WeakPolarHBondContact CG2-CE1 3.23Å; V679-H761 WeakPolarHBondContact CG2-NE2 3.5Å
680	Y	85.4	Confident	93	Very high	60 Å²	60	43.9 Å²	43.9	24%	0.235	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	41.9	-177.5	-169.8	-110.9	0	0	0	112.7	Q682 I748	Y680-Q682 PolarHBondContact O-N 3.33Å; Y680-I748 HydrophobicContact CG-CG2 4.42Å
681	N	84.9	Confident	92.9	Very high	153 Å²	153	44.4 Å²	44.4	82%	0.818	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	16.6	-175.1	-59.9	-43.3	0	0	0	115.3	V679	V679-N681 PolarHBondContact O-N 3.32Å
682	Q	87	Confident	92.9	Very high	57 Å²	57	45.6 Å²	45.6	27%	0.266	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.9	178.7	-67.9	-175	17.1	0	0	110.4	T678 V679 Y680 L752	T678-Q682 CarbonylContact C-O 3.57Å; T678-Q682 VanDerWaalsContact CA-O 3.29Å; T678-Q682 WeakPolarHBondContact CA-O 3.49Å; V679-Q682 PolarHBondContact N-O 3.01Å; V679-Q682 PolarHBondContact O-N 3.11Å; Y680-Q682 PolarHBondContact O-N 3.33Å; Q682-L752 HydrophobicContact CB-CD1 3.74Å
683	K	91.4	Very high	93	Very high	115 Å²	115	39.4 Å²	39.4	50%	0.5	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	134.5	178.6	-74.2	-86.2	167.8	-178.8	0	109.1	D675 N676 F677 T678	D675-K683 WeakPolarHBondContact O-CD 3.37Å; N676-K683 PolarHBondContact O-NZ 2.88Å; F677-K683 WeakPolarHBondContact O-CA 3.45Å; T678-K683 VanDerWaalsContact OG1-CE 3.25Å; T678-K683 WeakPolarHBondContact OG1-CE 3.48Å; T678-K683 PolarHBondContact OG1-NZ 3.23Å
684	V	93.8	Very high	93.1	Very high	2 Å²	2	38 Å²	38	1%	0.012	19%	0.188	C	C	.	.			trans	-66.6	135.2	169.8	175.6	0	0	0	0	107.9	D675 F677 V679 G686 T689 L752 A758 P759	D675-V684 WeakPolarHBondContact CA-O 3.38Å; F677-V684 HydrophobicContact CB-CB 4.13Å; F677-V684 HydrophobicContact CB-CG2 3.78Å; F677-V684 PolarHBondContact O-N 3.28Å; F677-V684 VanDerWaalsContact O-N 3.09Å; V679-V684 HydrophobicContact CG2-CG2 3.92Å; V684-G686 PolarHBondContact O-N 2.85Å; V684-T689 HydrophobicContact CG1-CG2 4.44Å; V684-L752 HydrophobicContact CG2-CD2 4.02Å; V684-A758 HydrophobicContact CG1-CB 4.38Å; V684-P759 HydrophobicContact CG2-CG 4.2Å
685	N	92.6	Very high	93.2	Very high	45 Å²	45	38 Å²	38	24%	0.241	19%	0.188	C	C	.	.			trans	-83.2	98.7	175.8	-173.9	-25.7	0	0	0	109.3	R687 L688 T689	N685-R687 PolarHBondContact O-N 3.23Å; N685-R687 WeakPolarHBondContact OD1-CA 3.41Å; N685-R687 WeakPolarHBondContact OD1-CB 3.29Å; N685-R687 PolarHBondContact OD1-N 3.37Å; N685-R687 VanDerWaalsContact OD1-N 3.09Å; N685-L688 HydrophobicContact CB-CB 3.83Å; N685-L688 PolarHBondContact O-N 2.78Å; N685-L688 PolarHBondContact OD1-N 2.7Å; N685-T689 WeakPolarHBondContact O-CG2 3.27Å; N685-T689 PolarHBondContact O-N 3.41Å; N685-T689 VanDerWaalsContact O-N 3.09Å; N685-T689 PolarHBondContact O-OG1 3.27Å
686	G	94.4	Very high	93.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.8	-179.8	0	0	0	0	0	113.1	D675 V684 L690	D675-G686 WeakPolarHBondContact OD1-CA 3.18Å; D675-G686 PolarHBondContact OD1-N 3.02Å; V684-G686 PolarHBondContact O-N 2.85Å; G686-L690 PolarHBondContact O-N 3.17Å
687	R	91.8	Very high	93.5	Very high	84 Å²	84	31.4 Å²	31.4	32%	0.317	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-57.8	170	-67.8	-173.6	-179.6	-83.3	-21.7	110	D350 K353 E668 V671 N685 T689 L690	D350-R687 IonicContact OD1-NH1 3.25Å; D350-R687 IonicContact OD2-NH1 3.37Å; K353-R687 PolarHBondContact NZ-O 3.15Å; E668-R687 IonicContact OE1-NH2 3.78Å; E668-R687 PolarHBondContact OE1-NH2 3.19Å; E668-R687 VanDerWaalsContact OE1-NH2 3.16Å; E668-R687 IonicContact OE2-CZ 2.97Å; E668-R687 IonicContact OE2-NH1 3.56Å; E668-R687 IonicContact OE2-NH2 2.69Å; E668-R687 PolarHBondContact OE2-NH2 3.08Å; V671-R687 HydrophobicContact CB-CG 4.48Å; V671-R687 HydrophobicContact CG1-CG 3.47Å; V671-R687 VanDerWaalsContact CG1-CG 3.47Å; V671-R687 HydrophobicContact CG2-CG 4.14Å; N685-R687 PolarHBondContact O-N 3.23Å; N685-R687 WeakPolarHBondContact OD1-CA 3.41Å; N685-R687 WeakPolarHBondContact OD1-CB 3.29Å; N685-R687 PolarHBondContact OD1-N 3.37Å; N685-R687 VanDerWaalsContact OD1-N 3.09Å; R687-T689 PolarHBondContact O-N 3.16Å; R687-T689 VanDerWaalsContact O-N 3.11Å; R687-L690 WeakPolarHBondContact O-CB 3.44Å; R687-L690 PolarHBondContact O-N 2.62Å
688	L	91.2	Very high	93.7	Very high	11 Å²	11	31.3 Å²	31.3	6%	0.058	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-44.1	179.5	176.2	65.5	0	0	0	111.5	Y348 N685 L690 D755 K756	Y348-L688 HydrophobicContact CD1-CB 4.38Å; Y348-L688 HydrophobicContact CD1-CD1 4.26Å; Y348-L688 HydrophobicContact CD1-CD2 3.91Å; Y348-L688 HydrophobicContact CD1-CG 4.42Å; Y348-L688 HydrophobicContact CE1-CD2 3.77Å; N685-L688 HydrophobicContact CB-CB 3.83Å; N685-L688 PolarHBondContact O-N 2.78Å; N685-L688 PolarHBondContact OD1-N 2.7Å; L688-L690 VanDerWaalsContact C-N 3.35Å; L688-L690 PolarHBondContact O-N 3.14Å; L688-D755 WeakPolarHBondContact CD2-O 3.43Å; L688-K756 HydrophobicContact CD1-CG 4.43Å
689	T	95.2	Very high	94	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.031	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	2.8	-173.2	57.9	0	0	0	0	115.4	V684 N685 R687 G691 E692 N693 K756 A758	V684-T689 HydrophobicContact CG1-CG2 4.44Å; N685-T689 WeakPolarHBondContact O-CG2 3.27Å; N685-T689 PolarHBondContact O-N 3.41Å; N685-T689 VanDerWaalsContact O-N 3.09Å; N685-T689 PolarHBondContact O-OG1 3.27Å; R687-T689 PolarHBondContact O-N 3.16Å; R687-T689 VanDerWaalsContact O-N 3.11Å; T689-G691 PolarHBondContact O-N 3.33Å; T689-E692 PolarHBondContact O-N 3.2Å; T689-N693 WeakPolarHBondContact CB-ND2 3.49Å; T689-N693 WeakPolarHBondContact O-CB 3.39Å; T689-N693 PolarHBondContact O-N 3.44Å; T689-N693 PolarHBondContact O-ND2 3.03Å; T689-N693 PolarHBondContact O-OD1 2.94Å; T689-N693 PolarHBondContact OG1-ND2 3.13Å; T689-K756 WeakPolarHBondContact CA-O 3.24Å; T689-K756 WeakPolarHBondContact CB-O 3.45Å; T689-K756 WeakPolarHBondContact CG2-O 3.34Å; T689-A758 HydrophobicContact CG2-CB 4.21Å
690	L	95.4	Very high	94.4	Very high	16 Å²	16	29.5 Å²	29.5	8%	0.084	14%	0.142	C	C	.	.	H	α-helix	trans	-55.9	-49.4	-168.5	-179.9	58	0	0	0	114.5	D640 A667 I670 V671 G686 R687 L688 E692 N693 I694	D640-L690 HydrophobicContact CB-CD2 4.18Å; A667-L690 HydrophobicContact CB-CD1 4.2Å; A667-L690 HydrophobicContact CB-CD2 4.19Å; I670-L690 HydrophobicContact CB-CD1 4.07Å; I670-L690 HydrophobicContact CG2-CD1 4.02Å; V671-L690 HydrophobicContact CG2-CB 4.48Å; V671-L690 HydrophobicContact CG2-CD1 3.82Å; V671-L690 HydrophobicContact CG2-CD2 3.93Å; V671-L690 HydrophobicContact CG2-CG 4.3Å; G686-L690 PolarHBondContact O-N 3.17Å; R687-L690 WeakPolarHBondContact O-CB 3.44Å; R687-L690 PolarHBondContact O-N 2.62Å; L688-L690 VanDerWaalsContact C-N 3.35Å; L688-L690 PolarHBondContact O-N 3.14Å; L690-E692 PolarHBondContact O-N 2.88Å; L690-N693 PolarHBondContact O-N 3.5Å; L690-I694 HydrophobicContact CD1-CD1 3.76Å; L690-I694 HydrophobicContact CD1-CG1 4Å; L690-I694 HydrophobicContact CG-CD1 3.85Å; L690-I694 HydrophobicContact CG-CG1 4.47Å; L690-I694 VanDerWaalsContact O-CG1 3.32Å; L690-I694 WeakPolarHBondContact O-CG1 3.3Å; L690-I694 PolarHBondContact O-N 2.64Å
691	G	95.3	Very high	95	Very high	11 Å²	11	27.8 Å²	27.8	11%	0.113	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-46.9	-177.5	0	0	0	0	0	112.1	D640 T689 N693 I694 A695	D640-G691 WeakPolarHBondContact OD1-CA 3.33Å; D640-G691 PolarHBondContact OD1-N 3.03Å; T689-G691 PolarHBondContact O-N 3.33Å; G691-N693 PolarHBondContact O-N 3.09Å; G691-I694 PolarHBondContact O-N 3.04Å; G691-A695 WeakPolarHBondContact O-CB 3.32Å; G691-A695 PolarHBondContact O-N 3.4Å
692	E	97.4	Very high	95.7	Very high	28 Å²	28	20.5 Å²	20.5	13%	0.131	10%	0.097	C	C	.	.	H	α-helix	trans	-63.8	-40	176.3	-61.4	-56.2	145.9	0	0	112.5	H632 H636 T689 L690 A695 D696 K756 H757	H632-E692 IonicContact CE1-OE2 2.83Å; H632-E692 PolarHBondContact CE1-OE2 2.87Å; H632-E692 IonicContact NE2-OE2 3.94Å; H632-E692 PolarHBondContact NE2-OE2 3.47Å; H632-E692 VanDerWaalsContact NE2-OE2 3.1Å; H636-E692 IonicContact CE1-OE1 3.66Å; H636-E692 PolarHBondContact CE1-OE1 3.12Å; H636-E692 IonicContact CE1-OE2 2.69Å; H636-E692 PolarHBondContact CE1-OE2 3.1Å; H636-E692 IonicContact NE2-OE1 3.05Å; H636-E692 IonicContact NE2-OE2 3.78Å; T689-E692 PolarHBondContact O-N 3.2Å; L690-E692 PolarHBondContact O-N 2.88Å; E692-A695 PolarHBondContact O-N 3.4Å; E692-D696 PolarHBondContact O-N 2.77Å; E692-K756 WeakPolarHBondContact CB-O 3.43Å; E692-K756 HydrophobicContact CG-CB 4.04Å; E692-K756 WeakPolarHBondContact CG-O 3.43Å; E692-H757 VanDerWaalsContact CD-NE2 3.31Å; E692-H757 VanDerWaalsContact CG-CD2 3.42Å; E692-H757 WeakPolarHBondContact CG-CD2 3.43Å; E692-H757 IonicContact OE1-NE2 3.16Å; E692-H757 IonicContact OE2-CD2 3.3Å; E692-H757 PolarHBondContact OE2-CD2 2.86Å; E692-H757 IonicContact OE2-NE2 2.8Å; E692-H757 PolarHBondContact OE2-NE2 3.43Å; E692-H757 VanDerWaalsContact OE2-NE2 3.12Å
693	N	98.3	Very high	96.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.9	-42.2	177.2	-63.1	-25.4	0	0	0	111.5	I670 Y674 T689 L690 G691 A695 D696 M697	I670-N693 HydrophobicContact CG2-CB 3.63Å; Y674-N693 WeakPolarHBondContact CD1-ND2 3.17Å; Y674-N693 HydrophobicContact CD2-CB 4.09Å; Y674-N693 WeakPolarHBondContact CD2-ND2 3.35Å; Y674-N693 HydrophobicContact CE1-CB 4.33Å; Y674-N693 VanDerWaalsContact CE1-CG 3.43Å; Y674-N693 WeakPolarHBondContact CE1-OD1 3.49Å; Y674-N693 HydrophobicContact CE2-CB 3.66Å; Y674-N693 VanDerWaalsContact CZ-OD1 3.28Å; T689-N693 WeakPolarHBondContact CB-ND2 3.49Å; T689-N693 WeakPolarHBondContact O-CB 3.39Å; T689-N693 PolarHBondContact O-N 3.44Å; T689-N693 PolarHBondContact O-ND2 3.03Å; T689-N693 PolarHBondContact O-OD1 2.94Å; T689-N693 PolarHBondContact OG1-ND2 3.13Å; L690-N693 PolarHBondContact O-N 3.5Å; G691-N693 PolarHBondContact O-N 3.09Å; N693-A695 VanDerWaalsContact C-N 3.28Å; N693-A695 PolarHBondContact O-N 2.83Å; N693-D696 PolarHBondContact O-N 3.14Å; N693-M697 WeakPolarHBondContact O-CB 3.46Å; N693-M697 WeakPolarHBondContact O-CG 3.39Å; N693-M697 PolarHBondContact O-N 3.34Å; N693-M697 VanDerWaalsContact O-N 3.12Å
694	I	98.4	Very high	96.6	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-59.1	-44.5	172.9	-71.3	168.7	0	0	0	109.6	T635 D639 F663 A667 I670 L690 G691 G698 V794	T635-I694 HydrophobicContact CG2-CG2 3.98Å; D639-I694 HydrophobicContact CB-CB 4.35Å; D639-I694 HydrophobicContact CB-CG2 4.12Å; F663-I694 HydrophobicContact CE2-CD1 4.5Å; F663-I694 HydrophobicContact CZ-CD1 4.18Å; A667-I694 HydrophobicContact CB-CD1 4.28Å; I670-I694 HydrophobicContact CD1-CG1 3.72Å; L690-I694 HydrophobicContact CD1-CD1 3.76Å; L690-I694 HydrophobicContact CD1-CG1 4Å; L690-I694 HydrophobicContact CG-CD1 3.85Å; L690-I694 HydrophobicContact CG-CG1 4.47Å; L690-I694 VanDerWaalsContact O-CG1 3.32Å; L690-I694 WeakPolarHBondContact O-CG1 3.3Å; L690-I694 PolarHBondContact O-N 2.64Å; G691-I694 PolarHBondContact O-N 3.04Å; I694-G698 PolarHBondContact O-N 3.11Å; I694-V794 HydrophobicContact CG1-CG2 4.4Å
695	A	98.5	Very high	96.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.2	-42.5	-179.1	0	0	0	0	0	113	H632 T635 G691 E692 N693 G699	H632-A695 WeakPolarHBondContact CA-O 3.3Å; H632-A695 VanDerWaalsContact CE1-CB 3.43Å; H632-A695 WeakPolarHBondContact CE1-CB 3.46Å; H632-A695 VanDerWaalsContact ND1-C 3.34Å; H632-A695 WeakPolarHBondContact ND1-CB 3.38Å; T635-A695 HydrophobicContact CG2-CB 4.49Å; G691-A695 WeakPolarHBondContact O-CB 3.32Å; G691-A695 PolarHBondContact O-N 3.4Å; E692-A695 PolarHBondContact O-N 3.4Å; N693-A695 VanDerWaalsContact C-N 3.28Å; N693-A695 PolarHBondContact O-N 2.83Å; A695-G699 WeakPolarHBondContact O-CA 3.33Å; A695-G699 PolarHBondContact O-N 3.03Å
696	D	98.6	Very high	97	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.016	6%	0.062	C	C	.	.	H	α-helix	trans	-61.6	-48.8	175.3	-78.3	-18.3	0	0	0	112.6	H632 E692 N693 G699 L700 R763	H632-D696 IonicContact CE1-OD1 2.93Å; H632-D696 PolarHBondContact CE1-OD1 3.5Å; H632-D696 VanDerWaalsContact CE1-OD1 3.27Å; H632-D696 PolarHBondContact ND1-N 3.29Å; H632-D696 IonicContact ND1-OD1 3.71Å; H632-D696 PolarHBondContact ND1-OD1 3.42Å; E692-D696 PolarHBondContact O-N 2.77Å; N693-D696 PolarHBondContact O-N 3.14Å; D696-G699 PolarHBondContact O-N 3.22Å; D696-L700 PolarHBondContact O-N 3.21Å; D696-R763 IonicContact OD1-CZ 2.98Å; D696-R763 IonicContact OD1-NE 3.69Å; D696-R763 IonicContact OD1-NH2 3.93Å; D696-R763 PolarHBondContact OD1-NH2 3.24Å; D696-R763 WeakPolarHBondContact OD2-CB 3.4Å; D696-R763 WeakPolarHBondContact OD2-CG 3.25Å; D696-R763 IonicContact OD2-CZ 3.22Å; D696-R763 IonicContact OD2-NE 3.84Å; D696-R763 PolarHBondContact OD2-NE 2.77Å; D696-R763 IonicContact OD2-NH2 3.84Å; D696-R763 PolarHBondContact OD2-NH2 3.25Å
697	M	98.4	Very high	97.2	Very high	24 Å²	24	13.8 Å²	13.8	12%	0.118	6%	0.063	C	C	.	.	H	α-helix	trans	-64.6	-44.6	-178.8	-65.6	175.7	80.9	0	0	111.1	I670 N693 K701 Q770 C792	I670-M697 HydrophobicContact CD1-CE 4.47Å; I670-M697 HydrophobicContact CD1-SD 3.64Å; I670-M697 HydrophobicContact CG1-CE 4.39Å; I670-M697 HydrophobicContact CG1-SD 3.81Å; I670-M697 HydrophobicContact CG2-SD 4.15Å; N693-M697 WeakPolarHBondContact O-CB 3.46Å; N693-M697 WeakPolarHBondContact O-CG 3.39Å; N693-M697 PolarHBondContact O-N 3.34Å; N693-M697 VanDerWaalsContact O-N 3.12Å; M697-K701 VanDerWaalsContact O-CB 3.3Å; M697-K701 WeakPolarHBondContact O-CB 3.48Å; M697-K701 PolarHBondContact O-N 3.09Å; M697-Q770 HydrophobicContact CE-CB 3.37Å; M697-Q770 HydrophobicContact CE-CG 3.56Å; M697-C792 HydrophobicContact CE-CB 4.4Å; M697-C792 WeakPolarHBondContact CE-O 3.41Å
698	G	98.1	Very high	97.5	Very high	3 Å²	3	11.5 Å²	11.5	3%	0.031	6%	0.056	C	C	.	.	H	α-helix	trans	-64.6	-44.6	174.7	0	0	0	0	0	111.8	I694 K701 L702	I694-G698 PolarHBondContact O-N 3.11Å; G698-K701 WeakPolarHBondContact O-CB 3.38Å; G698-K701 PolarHBondContact O-N 3.39Å; G698-L702 WeakPolarHBondContact O-CB 3.41Å; G698-L702 WeakPolarHBondContact O-CG 3.31Å; G698-L702 PolarHBondContact O-N 3.34Å
699	G	98.3	Very high	97.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64	-46.5	-176.1	0	0	0	0	0	114	A695 D696 K701 S703	A695-G699 WeakPolarHBondContact O-CA 3.33Å; A695-G699 PolarHBondContact O-N 3.03Å; D696-G699 PolarHBondContact O-N 3.22Å; G699-K701 VanDerWaalsContact C-N 3.29Å; G699-K701 PolarHBondContact O-N 2.86Å; G699-S703 VanDerWaalsContact O-CB 3.27Å; G699-S703 WeakPolarHBondContact O-CB 3.28Å; G699-S703 PolarHBondContact O-N 3.37Å
700	L	98.6	Very high	97.9	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-58	-45.1	174.2	173.2	58.3	0	0	0	111.3	D696 S703 Y704 L731 F732 F735 V768 F771	D696-L700 PolarHBondContact O-N 3.21Å; L700-S703 PolarHBondContact O-N 2.84Å; L700-Y704 WeakPolarHBondContact O-CB 3.46Å; L700-Y704 PolarHBondContact O-N 3.02Å; L700-L731 HydrophobicContact CD1-CD2 4.15Å; L700-F732 HydrophobicContact CD1-CD1 3.98Å; L700-F732 HydrophobicContact CD1-CE1 3.99Å; L700-F732 HydrophobicContact CD2-CD1 4.28Å; L700-F732 HydrophobicContact CD2-CE1 4.17Å; L700-F732 HydrophobicContact CG-CE1 4.27Å; L700-F735 HydrophobicContact CB-CD2 4.31Å; L700-F735 HydrophobicContact CB-CE2 4.05Å; L700-F735 HydrophobicContact CB-CZ 4.25Å; L700-F735 HydrophobicContact CD1-CB 3.94Å; L700-F735 HydrophobicContact CD1-CD1 4.02Å; L700-F735 HydrophobicContact CD1-CD2 3.94Å; L700-F735 HydrophobicContact CD1-CE2 4.46Å; L700-F735 HydrophobicContact CD1-CG 3.68Å; L700-F735 HydrophobicContact CD2-CD1 3.92Å; L700-F735 HydrophobicContact CD2-CE1 3.78Å; L700-F735 HydrophobicContact CD2-CG 4.39Å; L700-F735 HydrophobicContact CD2-CZ 4.12Å; L700-F735 HydrophobicContact CG-CD1 4.49Å; L700-F735 HydrophobicContact CG-CG 4.47Å; L700-V768 HydrophobicContact CD2-CG1 3.99Å; L700-F771 HydrophobicContact CD2-CD1 4.07Å; L700-F771 HydrophobicContact CG-CD1 4.09Å; L700-F771 HydrophobicContact CG-CE1 4.22Å
701	K	97.9	Very high	98	Very high	24 Å²	24	16.3 Å²	16.3	10%	0.104	8%	0.077	C	C	.	.	H	α-helix	trans	-66.1	-49.3	-177	-174.4	179.4	-132.3	-179.3	0	112.2	R504 M697 G698 G699 S703 Y704 Y705 F771 S793 W795	R504-K701 VanDerWaalsContact CZ-CD 3.44Å; R504-K701 VanDerWaalsContact NH2-CE 3.3Å; M697-K701 VanDerWaalsContact O-CB 3.3Å; M697-K701 WeakPolarHBondContact O-CB 3.48Å; M697-K701 PolarHBondContact O-N 3.09Å; G698-K701 WeakPolarHBondContact O-CB 3.38Å; G698-K701 PolarHBondContact O-N 3.39Å; G699-K701 VanDerWaalsContact C-N 3.29Å; G699-K701 PolarHBondContact O-N 2.86Å; K701-S703 VanDerWaalsContact C-N 3.3Å; K701-S703 PolarHBondContact O-N 3.4Å; K701-Y704 PolarHBondContact O-N 2.88Å; K701-Y705 HydrophobicContact CD-CE2 4.38Å; K701-Y705 HydrophobicContact CG-CD2 3.96Å; K701-Y705 HydrophobicContact CG-CE2 3.53Å; K701-Y705 WeakPolarHBondContact O-CD2 3.27Å; K701-Y705 PolarHBondContact O-N 3.07Å; K701-Y705 VanDerWaalsContact O-N 3.07Å; K701-F771 HydrophobicContact CB-CE1 4.46Å; K701-F771 HydrophobicContact CB-CE2 4.32Å; K701-F771 HydrophobicContact CB-CZ 4.14Å; K701-F771 HydrophobicContact CD-CE2 4.48Å; K701-F771 HydrophobicContact CG-CD2 4.49Å; K701-F771 HydrophobicContact CG-CE2 3.77Å; K701-F771 HydrophobicContact CG-CZ 3.9Å; K701-S793 PolarHBondContact NZ-OG 2.77Å; K701-W795 WeakPolarHBondContact CD-O 3.42Å; K701-W795 PolarHBondContact NZ-O 3.14Å
702	L	98.5	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.4	-43.8	176.7	-69	174.5	0	0	0	111.3	I497 A500 L501 L634 G698 Y705 A706	I497-L702 HydrophobicContact CG2-CB 4.1Å; A500-L702 HydrophobicContact CB-CD2 4.43Å; L501-L702 VanDerWaalsContact CA-CD2 3.48Å; L501-L702 HydrophobicContact CB-CD1 4.19Å; L501-L702 HydrophobicContact CB-CD2 3.66Å; L501-L702 HydrophobicContact CD1-CD1 4.28Å; L501-L702 HydrophobicContact CD1-CD2 3.97Å; L501-L702 HydrophobicContact CG-CD2 4.4Å; L634-L702 HydrophobicContact CD2-CD1 4.11Å; L634-L702 HydrophobicContact CG-CD1 4.49Å; G698-L702 WeakPolarHBondContact O-CB 3.41Å; G698-L702 WeakPolarHBondContact O-CG 3.31Å; G698-L702 PolarHBondContact O-N 3.34Å; L702-Y705 PolarHBondContact O-N 3.46Å; L702-A706 VanDerWaalsContact O-CB 3.3Å; L702-A706 WeakPolarHBondContact O-CB 3.29Å; L702-A706 PolarHBondContact O-N 2.81Å
703	S	98.5	Very high	98	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-42.5	176.8	-171.4	0	0	0	0	112.7	Y623 A628 G699 L700 K701 A706 Y707	Y623-S703 WeakPolarHBondContact CA-OG 3.43Å; Y623-S703 WeakPolarHBondContact CD1-O 3.42Å; Y623-S703 PolarHBondContact O-OG 3.14Å; A628-S703 PolarHBondContact N-OG 3.49Å; G699-S703 VanDerWaalsContact O-CB 3.27Å; G699-S703 WeakPolarHBondContact O-CB 3.28Å; G699-S703 PolarHBondContact O-N 3.37Å; L700-S703 PolarHBondContact O-N 2.84Å; K701-S703 VanDerWaalsContact C-N 3.3Å; K701-S703 PolarHBondContact O-N 3.4Å; S703-A706 PolarHBondContact O-N 3.31Å; S703-Y707 WeakPolarHBondContact O-CB 3.45Å; S703-Y707 PolarHBondContact O-N 3.21Å
704	Y	98.6	Very high	97.9	Very high	5 Å²	5	32 Å²	32	2%	0.02	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-49.1	176.4	175.5	-90.8	0	0	0	112	L700 K701 A706 Y707 Q708 E728 L731 F732 F771 E773 R776	L700-Y704 WeakPolarHBondContact O-CB 3.46Å; L700-Y704 PolarHBondContact O-N 3.02Å; K701-Y704 PolarHBondContact O-N 2.88Å; Y704-A706 VanDerWaalsContact C-N 3.34Å; Y704-A706 PolarHBondContact O-N 3.36Å; Y704-Y707 WeakPolarHBondContact O-CB 3.2Å; Y704-Y707 PolarHBondContact O-N 3.28Å; Y704-Q708 HydrophobicContact CD1-CG 4.06Å; Y704-Q708 HydrophobicContact CE1-CG 3.55Å; Y704-Q708 HydrophobicContact CE2-CG 4.36Å; Y704-Q708 VanDerWaalsContact CZ-NE2 3.27Å; Y704-Q708 WeakPolarHBondContact O-CG 3.29Å; Y704-Q708 PolarHBondContact O-N 2.96Å; Y704-Q708 PolarHBondContact OH-NE2 3.13Å; Y704-Q708 VanDerWaalsContact OH-NE2 3.15Å; Y704-E728 PolarHBondContact OH-OE1 3.08Å; Y704-L731 HydrophobicContact CD2-CD1 4.41Å; Y704-L731 HydrophobicContact CD2-CD2 4.33Å; Y704-F732 AromaticContact CD2-CE2 3.96Å; Y704-F732 HydrophobicContact CD2-CE2 3.96Å; Y704-F732 AromaticContact CD2-CZ 3.71Å; Y704-F732 HydrophobicContact CD2-CZ 3.71Å; Y704-F732 AromaticContact CE2-CE2 3.96Å; Y704-F732 HydrophobicContact CE2-CE2 3.96Å; Y704-F732 HydrophobicContact CE2-CZ 4.05Å; Y704-F732 HydrophobicContact CG-CZ 4.36Å; Y704-F771 HydrophobicContact CD1-CE1 4.32Å; Y704-F771 AromaticContact CD1-CZ 3.75Å; Y704-F771 HydrophobicContact CD1-CZ 3.75Å; Y704-F771 AromaticContact CG-CE1 4Å; Y704-F771 HydrophobicContact CG-CE1 4Å; Y704-F771 AromaticContact CG-CZ 3.89Å; Y704-F771 HydrophobicContact CG-CZ 3.89Å; Y704-E773 HydrophobicContact CD1-CB 4.23Å; Y704-E773 HydrophobicContact CD1-CG 4.07Å; Y704-E773 HydrophobicContact CE1-CB 3.79Å; Y704-E773 HydrophobicContact CE1-CG 3.47Å; Y704-E773 VanDerWaalsContact CE1-CG 3.47Å; Y704-E773 HydrophobicContact CE2-CB 4.45Å; Y704-R776 PolarHBondContact OH-NH2 2.87Å
705	Y	98.1	Very high	97.8	Very high	66 Å²	66	33.2 Å²	33.2	26%	0.259	16%	0.159	S	C	.	.	H	α-helix	trans	-68.8	-33	179.8	-68.5	-67.3	0	0	0	113	R504 K701 L702 Y707 Q708 K709 F771 E773	R504-Y705 PolarHBondContact NH1-OH 3.24Å; K701-Y705 HydrophobicContact CD-CE2 4.38Å; K701-Y705 HydrophobicContact CG-CD2 3.96Å; K701-Y705 HydrophobicContact CG-CE2 3.53Å; K701-Y705 WeakPolarHBondContact O-CD2 3.27Å; K701-Y705 PolarHBondContact O-N 3.07Å; K701-Y705 VanDerWaalsContact O-N 3.07Å; L702-Y705 PolarHBondContact O-N 3.46Å; Y705-Y707 VanDerWaalsContact C-N 3.34Å; Y705-Q708 PolarHBondContact O-N 2.89Å; Y705-K709 PolarHBondContact O-N 2.87Å; Y705-F771 HydrophobicContact CE2-CE2 4.23Å; Y705-F771 HydrophobicContact CE2-CZ 4.31Å; Y705-E773 VanDerWaalsContact CZ-OE1 3.29Å; Y705-E773 VanDerWaalsContact OH-CD 3.27Å; Y705-E773 PolarHBondContact OH-OE1 2.87Å
706	A	98.5	Very high	97.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-63	-42.2	171.8	0	0	0	0	0	111.1	D496 I497 A500 Y623 L702 S703 Y704 K709 W710	D496-A706 HydrophobicContact CB-CB 4.43Å; I497-A706 HydrophobicContact CG1-CB 3.76Å; A500-A706 HydrophobicContact CB-CB 4.03Å; Y623-A706 HydrophobicContact CD1-CB 4.06Å; Y623-A706 HydrophobicContact CE1-CB 3.51Å; L702-A706 VanDerWaalsContact O-CB 3.3Å; L702-A706 WeakPolarHBondContact O-CB 3.29Å; L702-A706 PolarHBondContact O-N 2.81Å; S703-A706 PolarHBondContact O-N 3.31Å; Y704-A706 VanDerWaalsContact C-N 3.34Å; Y704-A706 PolarHBondContact O-N 3.36Å; A706-K709 WeakPolarHBondContact O-CB 3.42Å; A706-K709 PolarHBondContact O-N 3.25Å; A706-W710 PolarHBondContact O-N 3.07Å
707	Y	98.4	Very high	97.4	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.02	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-44.7	172.8	178.7	-112.9	0	0	0	112.5	Q619 S620 Y623 S703 Y704 Y705 K709 W710 V711 E717 H727 L731	Q619-Y707 HydrophobicContact CB-CD2 4.41Å; Q619-Y707 HydrophobicContact CB-CE2 4.12Å; S620-Y707 VanDerWaalsContact N-CE2 3.3Å; Y623-Y707 AromaticContact CD2-CD2 3.62Å; Y623-Y707 HydrophobicContact CD2-CD2 3.62Å; Y623-Y707 HydrophobicContact CD2-CG 4.28Å; Y623-Y707 HydrophobicContact CE2-CD2 4.18Å; Y623-Y707 HydrophobicContact CG-CD2 4.12Å; Y623-Y707 HydrophobicContact CG-CG 4.35Å; S703-Y707 WeakPolarHBondContact O-CB 3.45Å; S703-Y707 PolarHBondContact O-N 3.21Å; Y704-Y707 WeakPolarHBondContact O-CB 3.2Å; Y704-Y707 PolarHBondContact O-N 3.28Å; Y705-Y707 VanDerWaalsContact C-N 3.34Å; Y707-K709 VanDerWaalsContact C-N 3.26Å; Y707-K709 PolarHBondContact O-N 3Å; Y707-W710 HydrophobicContact CD2-CE3 4.4Å; Y707-W710 HydrophobicContact CE2-CE3 4.02Å; Y707-W710 HydrophobicContact CE2-CZ3 4.43Å; Y707-W710 WeakPolarHBondContact O-CB 3.13Å; Y707-W710 PolarHBondContact O-N 3.5Å; Y707-W710 VanDerWaalsContact O-N 3.07Å; Y707-V711 HydrophobicContact CD1-CG2 4.28Å; Y707-V711 HydrophobicContact CD2-CG2 4.28Å; Y707-V711 HydrophobicContact CE1-CG2 3.73Å; Y707-V711 HydrophobicContact CE2-CG2 3.72Å; Y707-V711 VanDerWaalsContact CZ-CG2 3.4Å; Y707-V711 WeakPolarHBondContact O-CG2 3.43Å; Y707-V711 PolarHBondContact O-N 3.18Å; Y707-E717 WeakPolarHBondContact CE2-OE2 3.23Å; Y707-E717 PolarHBondContact OH-OE2 2.91Å; Y707-H727 HydrophobicContact CE1-CB 4.46Å; Y707-H727 WeakPolarHBondContact OH-CB 3.39Å; Y707-L731 HydrophobicContact CD1-CD1 3.65Å; Y707-L731 HydrophobicContact CG-CD1 3.66Å
708	Q	98	Very high	97	Very high	37 Å²	37	47 Å²	47	17%	0.173	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-40.6	176.2	-68.8	-60.9	-42.2	0	0	111.7	Y704 Y705 V711 R712 E728	Y704-Q708 HydrophobicContact CD1-CG 4.06Å; Y704-Q708 HydrophobicContact CE1-CG 3.55Å; Y704-Q708 HydrophobicContact CE2-CG 4.36Å; Y704-Q708 VanDerWaalsContact CZ-NE2 3.27Å; Y704-Q708 WeakPolarHBondContact O-CG 3.29Å; Y704-Q708 PolarHBondContact O-N 2.96Å; Y704-Q708 PolarHBondContact OH-NE2 3.13Å; Y704-Q708 VanDerWaalsContact OH-NE2 3.15Å; Y705-Q708 PolarHBondContact O-N 2.89Å; Q708-V711 PolarHBondContact O-N 2.94Å; Q708-R712 WeakPolarHBondContact O-CG 3.32Å; Q708-R712 PolarHBondContact O-N 3.25Å; Q708-R712 VanDerWaalsContact O-N 3.08Å; Q708-R712 PolarHBondContact O-NH1 2.86Å; Q708-E728 PolarHBondContact NE2-OE1 3.25Å
709	K	96.5	Very high	96.6	Very high	44 Å²	44	51.8 Å²	51.8	19%	0.191	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-47.6	172.9	-176.9	-176	177.2	-59.5	0	111.2	H499 Y705 A706 Y707 V711 R712 D713	H499-K709 VanDerWaalsContact CD2-CD 3.46Å; H499-K709 WeakPolarHBondContact CD2-CD 3.47Å; H499-K709 VanDerWaalsContact CD2-CE 3.41Å; H499-K709 WeakPolarHBondContact CD2-CE 3.48Å; H499-K709 WeakPolarHBondContact NE2-CE 3.43Å; Y705-K709 PolarHBondContact O-N 2.87Å; A706-K709 WeakPolarHBondContact O-CB 3.42Å; A706-K709 PolarHBondContact O-N 3.25Å; Y707-K709 VanDerWaalsContact C-N 3.26Å; Y707-K709 PolarHBondContact O-N 3Å; K709-V711 VanDerWaalsContact C-N 3.27Å; K709-V711 PolarHBondContact O-N 3.46Å; K709-R712 WeakPolarHBondContact O-CB 3.48Å; K709-R712 PolarHBondContact O-N 3.32Å; K709-D713 IonicContact NZ-OD2 2.72Å; K709-D713 PolarHBondContact NZ-OD2 3.39Å; K709-D713 PolarHBondContact O-N 2.9Å
710	W	97.4	Very high	96.3	Very high	54 Å²	54	52 Å²	52	21%	0.205	26%	0.258	C	S	.	.	H	α-helix	trans	-56.2	-42.3	178.1	-176.9	92.9	0	0	0	111.8	Q619 Y623 A706 Y707 D713 N714 E717	Q619-W710 HydrophobicContact CB-CD2 4.13Å; Q619-W710 HydrophobicContact CB-CE3 4.08Å; Q619-W710 HydrophobicContact CB-CH2 4.19Å; Q619-W710 HydrophobicContact CB-CZ2 4.21Å; Q619-W710 HydrophobicContact CB-CZ3 4.13Å; Q619-W710 HydrophobicContact CG-CD2 4.09Å; Q619-W710 HydrophobicContact CG-CE3 4.36Å; Q619-W710 HydrophobicContact CG-CH2 3.81Å; Q619-W710 HydrophobicContact CG-CZ2 3.46Å; Q619-W710 VanDerWaalsContact CG-CZ2 3.46Å; Q619-W710 HydrophobicContact CG-CZ3 4.25Å; Y623-W710 HydrophobicContact CE2-CB 4.07Å; Y623-W710 HydrophobicContact CE2-CG 4.09Å; A706-W710 PolarHBondContact O-N 3.07Å; Y707-W710 HydrophobicContact CD2-CE3 4.4Å; Y707-W710 HydrophobicContact CE2-CE3 4.02Å; Y707-W710 HydrophobicContact CE2-CZ3 4.43Å; Y707-W710 WeakPolarHBondContact O-CB 3.13Å; Y707-W710 PolarHBondContact O-N 3.5Å; Y707-W710 VanDerWaalsContact O-N 3.07Å; W710-D713 PolarHBondContact O-N 3.28Å; W710-N714 HydrophobicContact CD2-CB 4.27Å; W710-N714 HydrophobicContact CE3-CB 4.47Å; W710-N714 HydrophobicContact CH2-CB 4Å; W710-N714 HydrophobicContact CZ2-CB 3.78Å; W710-N714 HydrophobicContact CZ3-CB 4.32Å; W710-N714 PolarHBondContact NE1-ND2 3.01Å; W710-N714 WeakPolarHBondContact O-CB 3.36Å; W710-N714 PolarHBondContact O-N 3Å; W710-N714 PolarHBondContact O-ND2 2.88Å; W710-E717 HydrophobicContact CH2-CG 3.83Å; W710-E717 HydrophobicContact CZ3-CG 3.47Å; W710-E717 VanDerWaalsContact CZ3-CG 3.47Å
711	V	97.7	Very high	95.8	Very high	34 Å²	34	54 Å²	54	21%	0.206	27%	0.271	C	S	.	.	H	α-helix	trans	-64.7	-39.2	175.7	172.7	0	0	0	0	112.1	Y707 Q708 K709 D713 G715	Y707-V711 HydrophobicContact CD1-CG2 4.28Å; Y707-V711 HydrophobicContact CD2-CG2 4.28Å; Y707-V711 HydrophobicContact CE1-CG2 3.73Å; Y707-V711 HydrophobicContact CE2-CG2 3.72Å; Y707-V711 VanDerWaalsContact CZ-CG2 3.4Å; Y707-V711 WeakPolarHBondContact O-CG2 3.43Å; Y707-V711 PolarHBondContact O-N 3.18Å; Q708-V711 PolarHBondContact O-N 2.94Å; K709-V711 VanDerWaalsContact C-N 3.27Å; K709-V711 PolarHBondContact O-N 3.46Å; V711-D713 VanDerWaalsContact C-N 3.29Å; V711-D713 PolarHBondContact O-N 3.02Å; V711-G715 CarbonylContact O-C 3.42Å; V711-G715 WeakPolarHBondContact O-CA 3.42Å; V711-G715 PolarHBondContact O-N 3.13Å
712	R	96.8	Very high	95.4	Very high	167 Å²	167	61.4 Å²	61.4	63%	0.63	30%	0.304	S	S	*	.	H	α-helix	trans	-62.3	-37.9	174.5	-71.9	-172.1	-59.8	-91.5	8.2	112.2	Q708 K709	Q708-R712 WeakPolarHBondContact O-CG 3.32Å; Q708-R712 PolarHBondContact O-N 3.25Å; Q708-R712 VanDerWaalsContact O-N 3.08Å; Q708-R712 PolarHBondContact O-NH1 2.86Å; K709-R712 WeakPolarHBondContact O-CB 3.48Å; K709-R712 PolarHBondContact O-N 3.32Å
713	D	96.5	Very high	95.1	Very high	100 Å²	100	62.5 Å²	62.5	54%	0.535	31%	0.309	S	S	.	.	H	α-helix	trans	-82.1	-31.2	-176	-63.8	-12.9	0	0	0	113	K709 W710 V711	K709-D713 IonicContact NZ-OD2 2.72Å; K709-D713 PolarHBondContact NZ-OD2 3.39Å; K709-D713 PolarHBondContact O-N 2.9Å; W710-D713 PolarHBondContact O-N 3.28Å; V711-D713 VanDerWaalsContact C-N 3.29Å; V711-D713 PolarHBondContact O-N 3.02Å
714	N	96.4	Very high	94.8	Very high	102 Å²	102	70.6 Å²	70.6	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-115	-8.3	-171.5	-61.5	-90.1	0	0	0	114	W710	W710-N714 HydrophobicContact CD2-CB 4.27Å; W710-N714 HydrophobicContact CE3-CB 4.47Å; W710-N714 HydrophobicContact CH2-CB 4Å; W710-N714 HydrophobicContact CZ2-CB 3.78Å; W710-N714 HydrophobicContact CZ3-CB 4.32Å; W710-N714 PolarHBondContact NE1-ND2 3.01Å; W710-N714 WeakPolarHBondContact O-CB 3.36Å; W710-N714 PolarHBondContact O-N 3Å; W710-N714 PolarHBondContact O-ND2 2.88Å
715	G	96	Very high	94.7	Very high	27 Å²	27	71.7 Å²	71.7	28%	0.278	35%	0.349	S	S	.	.			trans	83.4	170.2	-171.5	0	0	0	0	0	113.6	V711	V711-G715 CarbonylContact O-C 3.42Å; V711-G715 WeakPolarHBondContact O-CA 3.42Å; V711-G715 PolarHBondContact O-N 3.13Å
716	P	94	Very high	94.7	Very high	118 Å²	118	72 Å²	72	77%	0.766	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-68.7	143.2	179.5	28.9	-34.6	0	0	0	111.9
717	E	93.6	Very high	94.6	Very high	34 Å²	34	72.9 Å²	72.9	16%	0.159	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-73.2	156.3	176.2	-57.1	-170.4	87.1	0	0	112.4	P618 Q619 S620 Y707 W710 H727	P618-E717 VanDerWaalsContact C-OE1 3.32Å; P618-E717 WeakPolarHBondContact CA-OE1 3.22Å; P618-E717 WeakPolarHBondContact CB-OE1 3.21Å; Q619-E717 PolarHBondContact N-OE1 3.15Å; Q619-E717 PolarHBondContact N-OE2 3.45Å; S620-E717 WeakPolarHBondContact CB-OE2 3.35Å; S620-E717 PolarHBondContact N-OE2 3.14Å; S620-E717 PolarHBondContact OG-OE2 3.02Å; Y707-E717 WeakPolarHBondContact CE2-OE2 3.23Å; Y707-E717 PolarHBondContact OH-OE2 2.91Å; W710-E717 HydrophobicContact CH2-CG 3.83Å; W710-E717 HydrophobicContact CZ3-CG 3.47Å; W710-E717 VanDerWaalsContact CZ3-CG 3.47Å; E717-H727 WeakPolarHBondContact CB-NE2 3.45Å; E717-H727 IonicContact OE2-CG 3.72Å; E717-H727 IonicContact OE2-ND1 2.81Å
718	R	90.6	Very high	94.6	Very high	166 Å²	166	74.8 Å²	74.8	63%	0.626	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-70.7	129.6	174.9	-68.9	-177.5	-179.8	-179.1	1.4	110.3	D111 H727	D111-R718 IonicContact OD1-NH1 3.9Å; R718-H727 VanDerWaalsContact C-NE2 3.27Å; R718-H727 PolarHBondContact O-CE1 3.21Å; R718-H727 PolarHBondContact O-NE2 3.39Å
719	P	90.3	Very high	94.6	Very high	103 Å²	103	74.5 Å²	74.5	67%	0.669	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-53.1	142.2	179.1	-26.5	33.6	0	0	0	113.2
720	L	91.8	Very high	94.7	Very high	3 Å²	3	72.4 Å²	72.4	2%	0.016	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-66.5	125.6	173.5	-76.3	-174.3	0	0	0	110.6	L118 A121 P618 L621 K722 L723 L730	L118-L720 HydrophobicContact CB-CD2 4.29Å; L118-L720 HydrophobicContact CD2-CD2 3.86Å; A121-L720 HydrophobicContact CB-CD2 4.21Å; P618-L720 HydrophobicContact CG-CD2 3.7Å; P618-L720 HydrophobicContact CG-CG 4.33Å; L621-L720 HydrophobicContact CD1-CD1 4.4Å; L720-K722 PolarHBondContact O-N 3.31Å; L720-L723 HydrophobicContact CB-CB 4.18Å; L720-L723 HydrophobicContact CB-CD1 4.06Å; L720-L723 HydrophobicContact CD1-CD1 3.85Å; L720-L723 PolarHBondContact O-N 3.11Å; L720-L730 HydrophobicContact CB-CD1 4.38Å; L720-L730 HydrophobicContact CD1-CD1 3.63Å; L720-L730 HydrophobicContact CD1-CD2 4.17Å; L720-L730 HydrophobicContact CG-CD1 3.92Å
721	P	88.6	Confident	94.7	Very high	44 Å²	44	69.9 Å²	69.9	29%	0.286	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	135.9	-178.4	-23.3	31.4	0	0	0	111.6	M119 T122 L723	M119-P721 HydrophobicContact SD-CB 3.81Å; M119-P721 HydrophobicContact SD-CG 4.01Å; T122-P721 WeakPolarHBondContact CG2-O 3.45Å; T122-P721 PolarHBondContact OG1-O 3.47Å; P721-L723 PolarHBondContact O-N 3.48Å; P721-L723 VanDerWaalsContact O-N 3.15Å
722	K	88.1	Confident	94.8	Very high	180 Å²	180	68.2 Å²	68.2	78%	0.783	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	7.2	176.6	-47.3	-178.1	177.7	-171.9	0	115.9	L720	L720-K722 PolarHBondContact O-N 3.31Å
723	L	91.9	Very high	94.9	Very high	23 Å²	23	60.3 Å²	60.3	12%	0.12	31%	0.311	C	S	.	.			trans	-106.9	136.1	168.1	-79.7	171	0	0	0	109.9	T122 V125 Q126 L720 P721 Y725 L730	T122-L723 HydrophobicContact CG2-CD1 3.92Å; T122-L723 HydrophobicContact CG2-CG 3.92Å; V125-L723 HydrophobicContact CB-CD1 4.16Å; V125-L723 HydrophobicContact CG1-CD1 4.15Å; Q126-L723 HydrophobicContact CB-CD2 3.88Å; Q126-L723 HydrophobicContact CG-CD2 4.11Å; L720-L723 HydrophobicContact CB-CB 4.18Å; L720-L723 HydrophobicContact CB-CD1 4.06Å; L720-L723 HydrophobicContact CD1-CD1 3.85Å; L720-L723 PolarHBondContact O-N 3.11Å; P721-L723 PolarHBondContact O-N 3.48Å; P721-L723 VanDerWaalsContact O-N 3.15Å; L723-Y725 VanDerWaalsContact C-N 3.29Å; L723-Y725 HydrophobicContact CD2-CD2 4.02Å; L723-Y725 HydrophobicContact CD2-CE2 4.14Å; L723-Y725 PolarHBondContact O-N 3.13Å; L723-L730 HydrophobicContact CD1-CD2 4.37Å
724	K	93.6	Very high	94.9	Very high	170 Å²	170	55.9 Å²	55.9	74%	0.739	29%	0.288	S	S	*	.			trans	-89	9.8	-178.7	65.9	175.3	-179.3	177.2	0	114
725	Y	96.5	Very high	95	Very high	28 Å²	28	51.2 Å²	51.2	11%	0.11	26%	0.263	C	S	.	.			trans	-100.7	138.8	-172.2	-57.3	-64.2	0	0	0	111.2	I129 F142 L723 Q729 I733	I129-Y725 HydrophobicContact CD1-CD2 4.08Å; I129-Y725 HydrophobicContact CD1-CE2 3.5Å; F142-Y725 AromaticContact CZ-CE1 3.82Å; F142-Y725 HydrophobicContact CZ-CE1 3.82Å; F142-Y725 AromaticContact CZ-CZ 3.71Å; F142-Y725 WeakPolarHBondContact CZ-OH 3.22Å; L723-Y725 VanDerWaalsContact C-N 3.29Å; L723-Y725 HydrophobicContact CD2-CD2 4.02Å; L723-Y725 HydrophobicContact CD2-CE2 4.14Å; L723-Y725 PolarHBondContact O-N 3.13Å; Y725-Q729 VanDerWaalsContact CA-OE1 3.3Å; Y725-I733 HydrophobicContact CD1-CD1 4.16Å; Y725-I733 HydrophobicContact CD2-CD1 3.96Å; Y725-I733 HydrophobicContact CE2-CD1 4.34Å; Y725-I733 HydrophobicContact CG-CD1 3.87Å
726	T	97.2	Very high	95.1	Very high	72 Å²	72	49.9 Å²	49.9	44%	0.442	25%	0.249	S	C	.	.			trans	-69.7	162.6	171.6	70.1	0	0	0	0	110.3	E728 Q729 L730	T726-E728 VanDerWaalsContact C-N 3.26Å; T726-E728 PolarHBondContact O-N 3.24Å; T726-Q729 WeakPolarHBondContact O-CB 3.5Å; T726-Q729 PolarHBondContact O-N 3.3Å; T726-Q729 VanDerWaalsContact O-N 3.09Å; T726-Q729 WeakPolarHBondContact OG1-CG 3.49Å; T726-Q729 PolarHBondContact OG1-N 3.33Å; T726-L730 VanDerWaalsContact O-CG 3.32Å; T726-L730 WeakPolarHBondContact O-CG 3.41Å; T726-L730 PolarHBondContact O-N 2.77Å
727	H	97.6	Very high	95.2	Very high	20 Å²	20	44.5 Å²	44.5	9%	0.093	21%	0.214	C	C	.	.	H	α-helix	trans	-65	-28.9	177	-76	-76.3	0	0	0	113.9	S620 Y707 E717 R718 L730 L731	S620-H727 VanDerWaalsContact CB-O 3.23Å; S620-H727 WeakPolarHBondContact CB-O 3.28Å; S620-H727 PolarHBondContact OG-ND1 3.29Å; Y707-H727 HydrophobicContact CE1-CB 4.46Å; Y707-H727 WeakPolarHBondContact OH-CB 3.39Å; E717-H727 WeakPolarHBondContact CB-NE2 3.45Å; E717-H727 IonicContact OE2-CG 3.72Å; E717-H727 IonicContact OE2-ND1 2.81Å; R718-H727 VanDerWaalsContact C-NE2 3.27Å; R718-H727 PolarHBondContact O-CE1 3.21Å; R718-H727 PolarHBondContact O-NE2 3.39Å; H727-L730 PolarHBondContact O-N 3.34Å; H727-L731 PolarHBondContact O-N 3.39Å
728	E	97.8	Very high	95.2	Very high	44 Å²	44	43.1 Å²	43.1	21%	0.206	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-42.5	170.2	-61.5	-170.4	107.4	0	0	111.4	Y704 Q708 T726 L731 F732 R776 V777	Y704-E728 PolarHBondContact OH-OE1 3.08Å; Q708-E728 PolarHBondContact NE2-OE1 3.25Å; T726-E728 VanDerWaalsContact C-N 3.26Å; T726-E728 PolarHBondContact O-N 3.24Å; E728-L731 PolarHBondContact O-N 2.81Å; E728-F732 WeakPolarHBondContact O-CD2 3.16Å; E728-R776 IonicContact OE1-NH2 3.06Å; E728-R776 PolarHBondContact OE1-NH2 3.37Å; E728-R776 IonicContact OE2-NH1 3.83Å; E728-R776 IonicContact OE2-NH2 2.7Å; E728-V777 HydrophobicContact CB-CG1 3.78Å; E728-V777 HydrophobicContact CB-CG2 3.9Å
729	Q	98.3	Very high	95.5	Very high	32 Å²	32	36.9 Å²	36.9	15%	0.15	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-40.4	175.3	-70.9	173	-26.6	0	0	111.4	Y725 T726 L731 F732 I733 V777 F778	Y725-Q729 VanDerWaalsContact CA-OE1 3.3Å; T726-Q729 WeakPolarHBondContact O-CB 3.5Å; T726-Q729 PolarHBondContact O-N 3.3Å; T726-Q729 VanDerWaalsContact O-N 3.09Å; T726-Q729 WeakPolarHBondContact OG1-CG 3.49Å; T726-Q729 PolarHBondContact OG1-N 3.33Å; Q729-L731 VanDerWaalsContact C-N 3.28Å; Q729-L731 PolarHBondContact O-N 2.85Å; Q729-F732 PolarHBondContact O-N 3.36Å; Q729-I733 VanDerWaalsContact O-CG1 3.27Å; Q729-I733 WeakPolarHBondContact O-CG1 3.5Å; Q729-I733 PolarHBondContact O-N 2.61Å; Q729-V777 HydrophobicContact CB-CG1 4.25Å; Q729-V777 HydrophobicContact CG-CG1 3.4Å; Q729-V777 PolarHBondContact NE2-O 3.39Å; Q729-V777 VanDerWaalsContact NE2-O 3.11Å; Q729-F778 HydrophobicContact CB-CE1 4.25Å; Q729-F778 HydrophobicContact CB-CE2 4.21Å; Q729-F778 HydrophobicContact CB-CZ 3.74Å; Q729-F778 HydrophobicContact CG-CD1 4.49Å; Q729-F778 HydrophobicContact CG-CD2 4.5Å; Q729-F778 HydrophobicContact CG-CE1 4.07Å; Q729-F778 HydrophobicContact CG-CE2 4.06Å; Q729-F778 HydrophobicContact CG-CZ 3.83Å
730	L	98.1	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-32.4	178.1	-70.9	171.3	0	0	0	112.5	V125 L621 L720 L723 T726 H727 I733 A734	V125-L730 HydrophobicContact CG1-CD2 3.92Å; L621-L730 HydrophobicContact CD2-CB 4.01Å; L720-L730 HydrophobicContact CB-CD1 4.38Å; L720-L730 HydrophobicContact CD1-CD1 3.63Å; L720-L730 HydrophobicContact CD1-CD2 4.17Å; L720-L730 HydrophobicContact CG-CD1 3.92Å; L723-L730 HydrophobicContact CD1-CD2 4.37Å; T726-L730 VanDerWaalsContact O-CG 3.32Å; T726-L730 WeakPolarHBondContact O-CG 3.41Å; T726-L730 PolarHBondContact O-N 2.77Å; H727-L730 PolarHBondContact O-N 3.34Å; L730-I733 PolarHBondContact O-N 3.4Å; L730-A734 VanDerWaalsContact O-CB 3.29Å; L730-A734 WeakPolarHBondContact O-CB 3.3Å; L730-A734 PolarHBondContact O-N 3.18Å
731	L	98.3	Very high	95.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-50.1	174	-176.4	156	0	0	0	111.2	S620 G624 L700 Y704 Y707 H727 E728 Q729 I733 A734 F735	S620-L731 WeakPolarHBondContact O-CA 3.28Å; G624-L731 WeakPolarHBondContact CA-O 3.29Å; L700-L731 HydrophobicContact CD1-CD2 4.15Å; Y704-L731 HydrophobicContact CD2-CD1 4.41Å; Y704-L731 HydrophobicContact CD2-CD2 4.33Å; Y707-L731 HydrophobicContact CD1-CD1 3.65Å; Y707-L731 HydrophobicContact CG-CD1 3.66Å; H727-L731 PolarHBondContact O-N 3.39Å; E728-L731 PolarHBondContact O-N 2.81Å; Q729-L731 VanDerWaalsContact C-N 3.28Å; Q729-L731 PolarHBondContact O-N 2.85Å; L731-I733 VanDerWaalsContact C-N 3.35Å; L731-I733 PolarHBondContact O-N 3.49Å; L731-A734 PolarHBondContact O-N 3.4Å; L731-F735 PolarHBondContact O-N 2.92Å
732	F	98.7	Very high	95.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.3	-38.5	177.3	-68.9	-66.8	0	0	0	112.4	F139 L700 Y704 E728 Q729 F735 A736 F771 E773 F774 V777 F778	F139-F732 HydrophobicContact CE1-CB 4.01Å; F139-F732 WeakPolarHBondContact CE1-O 3.38Å; F139-F732 HydrophobicContact CZ-CB 3.77Å; L700-F732 HydrophobicContact CD1-CD1 3.98Å; L700-F732 HydrophobicContact CD1-CE1 3.99Å; L700-F732 HydrophobicContact CD2-CD1 4.28Å; L700-F732 HydrophobicContact CD2-CE1 4.17Å; L700-F732 HydrophobicContact CG-CE1 4.27Å; Y704-F732 AromaticContact CD2-CE2 3.96Å; Y704-F732 HydrophobicContact CD2-CE2 3.96Å; Y704-F732 AromaticContact CD2-CZ 3.71Å; Y704-F732 HydrophobicContact CD2-CZ 3.71Å; Y704-F732 AromaticContact CE2-CE2 3.96Å; Y704-F732 HydrophobicContact CE2-CE2 3.96Å; Y704-F732 HydrophobicContact CE2-CZ 4.05Å; Y704-F732 HydrophobicContact CG-CZ 4.36Å; E728-F732 WeakPolarHBondContact O-CD2 3.16Å; Q729-F732 PolarHBondContact O-N 3.36Å; F732-F735 WeakPolarHBondContact O-CB 3.43Å; F732-F735 PolarHBondContact O-N 3.22Å; F732-A736 PolarHBondContact O-N 3.49Å; F732-F771 AromaticContact CE1-CD1 3.61Å; F732-F771 HydrophobicContact CE1-CD1 3.61Å; F732-F771 AromaticContact CE1-CE1 3.72Å; F732-F771 HydrophobicContact CE1-CE1 3.72Å; F732-F771 AromaticContact CZ-CD1 3.94Å; F732-F771 HydrophobicContact CZ-CD1 3.94Å; F732-F771 AromaticContact CZ-CE1 3.81Å; F732-F771 HydrophobicContact CZ-CE1 3.81Å; F732-E773 HydrophobicContact CZ-CB 4.44Å; F732-F774 HydrophobicContact CB-CD2 4.1Å; F732-F774 HydrophobicContact CB-CE2 4.41Å; F732-F774 HydrophobicContact CD1-CB 4.26Å; F732-F774 AromaticContact CD1-CD2 3.84Å; F732-F774 HydrophobicContact CD1-CD2 3.84Å; F732-F774 HydrophobicContact CD2-CD2 4.14Å; F732-F774 HydrophobicContact CE1-CB 3.88Å; F732-F774 HydrophobicContact CE1-CD2 4.31Å; F732-F774 HydrophobicContact CE2-CB 4.34Å; F732-F774 AromaticContact CG-CD2 3.76Å; F732-F774 HydrophobicContact CG-CD2 3.76Å; F732-F774 HydrophobicContact CZ-CB 3.91Å; F732-V777 HydrophobicContact CD2-CG1 4.18Å; F732-V777 HydrophobicContact CE2-CB 4.15Å; F732-V777 HydrophobicContact CE2-CG1 4.24Å; F732-V777 HydrophobicContact CE2-CG2 4.21Å; F732-F778 HydrophobicContact CB-CE2 3.86Å; F732-F778 HydrophobicContact CB-CZ 4.46Å; F732-F778 AromaticContact CD2-CE2 3.97Å; F732-F778 HydrophobicContact CD2-CE2 3.97Å; F732-F778 HydrophobicContact CG-CE2 4.23Å
733	I	98.4	Very high	96	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-45	175.2	-69.2	164.2	0	0	0	110.4	V125 I129 F139 F142 Y725 Q729 L730 L731 A736 Q737 F778	V125-I733 HydrophobicContact CG1-CG2 3.81Å; I129-I733 HydrophobicContact CD1-CD1 4.08Å; I129-I733 HydrophobicContact CD1-CG2 4.04Å; I129-I733 HydrophobicContact CG1-CG2 4.16Å; F139-I733 HydrophobicContact CE2-CG1 4.5Å; F139-I733 HydrophobicContact CZ-CG1 4.09Å; F142-I733 HydrophobicContact CE1-CD1 4.16Å; F142-I733 HydrophobicContact CE1-CG1 4.07Å; Y725-I733 HydrophobicContact CD1-CD1 4.16Å; Y725-I733 HydrophobicContact CD2-CD1 3.96Å; Y725-I733 HydrophobicContact CE2-CD1 4.34Å; Y725-I733 HydrophobicContact CG-CD1 3.87Å; Q729-I733 VanDerWaalsContact O-CG1 3.27Å; Q729-I733 WeakPolarHBondContact O-CG1 3.5Å; Q729-I733 PolarHBondContact O-N 2.61Å; L730-I733 PolarHBondContact O-N 3.4Å; L731-I733 VanDerWaalsContact C-N 3.35Å; L731-I733 PolarHBondContact O-N 3.49Å; I733-A736 PolarHBondContact O-N 3.35Å; I733-Q737 HydrophobicContact CG2-CG 4.3Å; I733-Q737 VanDerWaalsContact CG2-NE2 3.28Å; I733-Q737 WeakPolarHBondContact O-CB 3.49Å; I733-Q737 VanDerWaalsContact O-CG 3.24Å; I733-Q737 WeakPolarHBondContact O-CG 3.35Å; I733-Q737 PolarHBondContact O-N 3.49Å; I733-F778 HydrophobicContact CD1-CZ 4.48Å; I733-F778 HydrophobicContact CG1-CZ 4.28Å
734	A	97.4	Very high	95.9	Very high	7 Å²	7	24.2 Å²	24.2	6%	0.058	11%	0.113	C	C	.	.	H	α-helix	trans	-62	-43.2	176.8	0	0	0	0	0	111.6	L621 L730 L731 A736 Q737 N738	L621-A734 HydrophobicContact CD2-CB 3.94Å; L730-A734 VanDerWaalsContact O-CB 3.29Å; L730-A734 WeakPolarHBondContact O-CB 3.3Å; L730-A734 PolarHBondContact O-N 3.18Å; L731-A734 PolarHBondContact O-N 3.4Å; A734-A736 PolarHBondContact O-N 3.36Å; A734-Q737 PolarHBondContact O-N 2.89Å; A734-Q737 VanDerWaalsContact O-N 3.15Å; A734-N738 PolarHBondContact O-N 3.31Å; A734-N738 VanDerWaalsContact O-N 3.17Å; A734-N738 PolarHBondContact O-OD1 3.06Å
735	F	98	Very high	95.6	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.018	8%	0.079	C	C	.	.	H	α-helix	trans	-55.7	-51.1	173.6	167.9	-102	0	0	0	112.3	G624 A628 L700 L731 F732 Q737 N738 W739 V764 V768	G624-F735 WeakPolarHBondContact O-CA 3.36Å; G624-F735 PolarHBondContact O-N 3.42Å; A628-F735 HydrophobicContact CB-CD2 3.7Å; A628-F735 HydrophobicContact CB-CE2 4.3Å; L700-F735 HydrophobicContact CB-CD2 4.31Å; L700-F735 HydrophobicContact CB-CE2 4.05Å; L700-F735 HydrophobicContact CB-CZ 4.25Å; L700-F735 HydrophobicContact CD1-CB 3.94Å; L700-F735 HydrophobicContact CD1-CD1 4.02Å; L700-F735 HydrophobicContact CD1-CD2 3.94Å; L700-F735 HydrophobicContact CD1-CE2 4.46Å; L700-F735 HydrophobicContact CD1-CG 3.68Å; L700-F735 HydrophobicContact CD2-CD1 3.92Å; L700-F735 HydrophobicContact CD2-CE1 3.78Å; L700-F735 HydrophobicContact CD2-CG 4.39Å; L700-F735 HydrophobicContact CD2-CZ 4.12Å; L700-F735 HydrophobicContact CG-CD1 4.49Å; L700-F735 HydrophobicContact CG-CG 4.47Å; L731-F735 PolarHBondContact O-N 2.92Å; F732-F735 WeakPolarHBondContact O-CB 3.43Å; F732-F735 PolarHBondContact O-N 3.22Å; F735-Q737 VanDerWaalsContact C-N 3.26Å; F735-Q737 PolarHBondContact O-N 3.43Å; F735-N738 WeakPolarHBondContact O-CB 3.46Å; F735-N738 PolarHBondContact O-N 2.87Å; F735-N738 PolarHBondContact O-ND2 3.41Å; F735-W739 AromaticContact CE2-NE1 3.69Å; F735-W739 AromaticContact CZ-NE1 3.94Å; F735-V764 HydrophobicContact CE1-CG2 4.48Å; F735-V768 HydrophobicContact CD1-CG1 4.09Å; F735-V768 HydrophobicContact CE1-CG1 4.01Å
736	A	98	Very high	95.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.1	-36.1	178.2	0	0	0	0	0	111.8	F139 A143 C144 F732 I733 A734 N738 W739 V764	F139-A736 HydrophobicContact CD1-CB 3.98Å; F139-A736 HydrophobicContact CE1-CB 3.69Å; A143-A736 HydrophobicContact CB-CB 3.49Å; A143-A736 VanDerWaalsContact CB-CB 3.49Å; C144-A736 PolarHBondContact SG-O 2.99Å; F732-A736 PolarHBondContact O-N 3.49Å; I733-A736 PolarHBondContact O-N 3.35Å; A734-A736 PolarHBondContact O-N 3.36Å; A736-N738 VanDerWaalsContact C-N 3.3Å; A736-N738 PolarHBondContact O-N 3.33Å; A736-W739 PolarHBondContact O-N 3.03Å; A736-W739 VanDerWaalsContact O-N 3.12Å; A736-V764 HydrophobicContact CB-CG1 3.66Å; A736-V764 HydrophobicContact CB-CG2 4.19Å
737	Q	96.6	Very high	94.7	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.019	6%	0.063	C	C	.	.	H	α-helix	trans	-67.6	-27.5	-177.9	-76.5	-179.9	12.9	0	0	114	V125 N128 A143 I162 I733 A734 F735 W739 C740	V125-Q737 PolarHBondContact O-NE2 2.75Å; N128-Q737 HydrophobicContact CB-CG 4.11Å; N128-Q737 PolarHBondContact ND2-OE1 3.43Å; A143-Q737 WeakPolarHBondContact O-CG 3.13Å; A143-Q737 PolarHBondContact O-NE2 2.86Å; I162-Q737 HydrophobicContact CD1-CB 4.23Å; I162-Q737 WeakPolarHBondContact CD1-O 3.04Å; I733-Q737 HydrophobicContact CG2-CG 4.3Å; I733-Q737 VanDerWaalsContact CG2-NE2 3.28Å; I733-Q737 WeakPolarHBondContact O-CB 3.49Å; I733-Q737 VanDerWaalsContact O-CG 3.24Å; I733-Q737 WeakPolarHBondContact O-CG 3.35Å; I733-Q737 PolarHBondContact O-N 3.49Å; A734-Q737 PolarHBondContact O-N 2.89Å; A734-Q737 VanDerWaalsContact O-N 3.15Å; F735-Q737 VanDerWaalsContact C-N 3.26Å; F735-Q737 PolarHBondContact O-N 3.43Å; Q737-W739 PolarHBondContact O-N 3.44Å; Q737-C740 WeakPolarHBondContact CA-SG 3.32Å; Q737-C740 PolarHBondContact O-N 3.08Å; Q737-C740 VanDerWaalsContact O-N 3.16Å; Q737-C740 PolarHBondContact O-SG 2.7Å
738	N	94.2	Very high	94.4	Very high	6 Å²	6	13 Å²	13	3%	0.032	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-30.7	172	-59.4	-26.5	0	0	0	112.2	L612 G624 A734 F735 A736	L612-N738 HydrophobicContact CD2-CB 4.16Å; L612-N738 WeakPolarHBondContact CD2-OD1 3.25Å; G624-N738 PolarHBondContact O-ND2 2.83Å; A734-N738 PolarHBondContact O-N 3.31Å; A734-N738 VanDerWaalsContact O-N 3.17Å; A734-N738 PolarHBondContact O-OD1 3.06Å; F735-N738 WeakPolarHBondContact O-CB 3.46Å; F735-N738 PolarHBondContact O-N 2.87Å; F735-N738 PolarHBondContact O-ND2 3.41Å; A736-N738 VanDerWaalsContact C-N 3.3Å; A736-N738 PolarHBondContact O-N 3.33Å
739	W	95.3	Very high	94.1	Very high	35 Å²	35	11.2 Å²	11.2	13%	0.133	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	8.3	-171.9	-52.7	113.6	0	0	0	113.5	Y140 F735 A736 Q737 M741 E760 V764	Y140-W739 HydrophobicContact CE2-CB 4.32Å; Y140-W739 VanDerWaalsContact CE2-O 3.27Å; Y140-W739 WeakPolarHBondContact CE2-O 3.32Å; Y140-W739 PolarHBondContact OH-O 3.47Å; F735-W739 AromaticContact CE2-NE1 3.69Å; F735-W739 AromaticContact CZ-NE1 3.94Å; A736-W739 PolarHBondContact O-N 3.03Å; A736-W739 VanDerWaalsContact O-N 3.12Å; Q737-W739 PolarHBondContact O-N 3.44Å; W739-M741 PolarHBondContact O-N 2.68Å; W739-E760 HydrophobicContact CB-CB 4.15Å; W739-E760 WeakPolarHBondContact O-CB 3.16Å; W739-V764 HydrophobicContact CB-CG2 3.71Å; W739-V764 VanDerWaalsContact CD1-CG2 3.47Å; W739-V764 HydrophobicContact CG-CG2 3.89Å
740	C	95.7	Very high	93.6	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.007	5%	0.053	C	C	.	.			trans	-65.9	109.7	174.9	-60.8	0	0	0	0	110.2	Y140 C144 W147 G161 I162 Q737	Y140-C740 WeakPolarHBondContact OH-CA 3.42Å; C144-C740 WeakPolarHBondContact CA-SG 3.33Å; C144-C740 HydrophobicContact CB-CB 3.73Å; C144-C740 WeakPolarHBondContact CB-SG 3.43Å; C144-C740 WeakPolarHBondContact SG-CA 3.41Å; C144-C740 WeakPolarHBondContact SG-CB 3.49Å; C144-C740 CovalentContact SG-SG 2.03Å; C144-C740 PolarHBondContact SG-SG 2.88Å; W147-C740 HydrophobicContact CB-CB 4.14Å; W147-C740 HydrophobicContact CG-CB 3.97Å; G161-C740 CarbonylContact C-O 3.6Å; G161-C740 WeakPolarHBondContact CA-O 3.43Å; I162-C740 HydrophobicContact CD1-CB 4.09Å; I162-C740 HydrophobicContact CG1-CB 4.09Å; I162-C740 PolarHBondContact N-O 3.05Å; I162-C740 VanDerWaalsContact N-O 3.1Å; Q737-C740 WeakPolarHBondContact CA-SG 3.32Å; Q737-C740 PolarHBondContact O-N 3.08Å; Q737-C740 VanDerWaalsContact O-N 3.16Å; Q737-C740 PolarHBondContact O-SG 2.7Å
741	M	92.6	Very high	93.3	Very high	24 Å²	24	11.7 Å²	11.7	12%	0.118	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	144.8	-176.8	-177.4	149.5	67.3	0	0	112.3	Y11 Y140 S159 Y160 W739 E760	Y11-M741 PolarHBondContact OH-O 3.16Å; Y140-M741 PolarHBondContact OH-N 3.48Å; Y140-M741 PolarHBondContact OH-O 2.87Å; S159-M741 PolarHBondContact OG-SD 2.94Å; Y160-M741 WeakPolarHBondContact O-CA 3.13Å; W739-M741 PolarHBondContact O-N 2.68Å; M741-E760 HydrophobicContact CE-CG 3.51Å; M741-E760 WeakPolarHBondContact CE-OE1 3.36Å
742	K	91.6	Very high	93	Very high	26 Å²	26	12.4 Å²	12.4	11%	0.113	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	149.4	162.6	-71.8	-175.4	168.4	172.7	0	110.8	L148 H151 I153 S159 Y160	L148-K742 HydrophobicContact CD2-CG 3.72Å; L148-K742 WeakPolarHBondContact O-CE 3.32Å; L148-K742 PolarHBondContact O-NZ 3.04Å; H151-K742 WeakPolarHBondContact O-CD 3.35Å; H151-K742 WeakPolarHBondContact O-CE 3.29Å; H151-K742 PolarHBondContact O-NZ 3.15Å; I153-K742 HydrophobicContact CD1-CB 3.91Å; I153-K742 HydrophobicContact CG1-CB 3.64Å; I153-K742 HydrophobicContact CG1-CD 4.4Å; S159-K742 CarbonylContact C-O 3.59Å; S159-K742 WeakPolarHBondContact CA-O 3.18Å; S159-K742 WeakPolarHBondContact CB-O 3.47Å; Y160-K742 PolarHBondContact N-O 3.26Å; Y160-K742 PolarHBondContact O-N 2.57Å
743	R	90.3	Very high	92.4	Very high	26 Å²	26	13.6 Å²	13.6	10%	0.098	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.9	177.2	-170.5	176	-70.5	-100.3	10.8	110.1	Q15 S747 I748 E760	Q15-R743 PolarHBondContact OE1-O 3.1Å; R743-S747 PolarHBondContact NH1-OG 3.29Å; R743-I748 HydrophobicContact CB-CD1 4.34Å; R743-I748 HydrophobicContact CB-CG1 3.82Å; R743-I748 HydrophobicContact CG-CG1 3.72Å; R743-E760 IonicContact CZ-OE1 3.38Å; R743-E760 IonicContact NE-OE1 2.65Å; R743-E760 IonicContact NH2-OE1 3Å; R743-E760 PolarHBondContact NH2-OE1 3.31Å
744	R	89.5	Confident	91.9	Very high	10 Å²	10	16.1 Å²	16.1	4%	0.038	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-75.3	145.3	172.7	-64.6	-176.9	-178.6	-88.3	-6.3	109.7	I153 P154 K157 L158 G450 E452 Q746 S747 I748	I153-R744 HydrophobicContact CD1-CG 3.76Å; I153-R744 HydrophobicContact CG2-CG 4.28Å; P154-R744 PolarHBondContact O-NH2 2.88Å; K157-R744 PolarHBondContact O-NE 2.75Å; L158-R744 WeakPolarHBondContact O-CG 2.93Å; L158-R744 PolarHBondContact O-N 3.4Å; G450-R744 WeakPolarHBondContact O-CD 3.32Å; G450-R744 PolarHBondContact O-NE 3.44Å; G450-R744 PolarHBondContact O-NH1 3.01Å; E452-R744 IonicContact OE1-CZ 2.63Å; E452-R744 IonicContact OE1-NH1 3.92Å; E452-R744 PolarHBondContact OE1-NH1 3.36Å; E452-R744 IonicContact OE1-NH2 2.76Å; R744-Q746 VanDerWaalsContact C-N 3.29Å; R744-Q746 PolarHBondContact O-N 3.44Å; R744-S747 PolarHBondContact O-N 3.48Å; R744-I748 PolarHBondContact O-N 3.08Å
745	S	86.9	Confident	91.6	Very high	4 Å²	4	18 Å²	18	3%	0.028	9%	0.089	C	C	.	.	H	α-helix	trans	-50.7	-45.8	-178.7	33.2	0	0	0	0	113.7	S747 I748 Y749	S745-S747 VanDerWaalsContact C-N 3.31Å; S745-S747 PolarHBondContact O-N 3.42Å; S745-I748 WeakPolarHBondContact O-CB 3.5Å; S745-I748 PolarHBondContact O-N 2.88Å; S745-I748 VanDerWaalsContact O-N 3.12Å; S745-Y749 PolarHBondContact O-N 3.01Å
746	Q	85.8	Confident	91.4	Very high	39 Å²	39	22.5 Å²	22.5	18%	0.182	11%	0.109	C	C	.	.	H	α-helix	trans	-60.6	-42.7	179.5	-64.2	85.4	-26.2	0	0	111	I448 R744 Y749 L750	I448-Q746 CarbonylContact O-C 3.5Å; R744-Q746 VanDerWaalsContact C-N 3.29Å; R744-Q746 PolarHBondContact O-N 3.44Å; Q746-Y749 PolarHBondContact O-N 3.38Å; Q746-L750 PolarHBondContact O-N 2.87Å
747	S	90.1	Very high	91.3	Very high	6 Å²	6	25.2 Å²	25.2	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-70.1	-31.4	176.4	177.1	0	0	0	0	113.1	L158 R743 R744 S745 L750 Q751	L158-S747 VanDerWaalsContact CD1-OG 3.24Å; L158-S747 WeakPolarHBondContact CD1-OG 3.35Å; R743-S747 PolarHBondContact NH1-OG 3.29Å; R744-S747 PolarHBondContact O-N 3.48Å; S745-S747 VanDerWaalsContact C-N 3.31Å; S745-S747 PolarHBondContact O-N 3.42Å; S747-L750 PolarHBondContact O-N 3.39Å; S747-Q751 WeakPolarHBondContact O-CB 3.41Å; S747-Q751 PolarHBondContact O-N 3.28Å
748	I	90.6	Very high	91.2	Very high	4 Å²	4	25 Å²	25	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-44.8	173.4	-64.6	166.7	0	0	0	110.1	Q15 V679 Y680 R743 R744 S745 L750 Q751 L752	Q15-I748 HydrophobicContact CG-CD1 4.07Å; V679-I748 HydrophobicContact CG1-CG2 3.85Å; Y680-I748 HydrophobicContact CG-CG2 4.42Å; R743-I748 HydrophobicContact CB-CD1 4.34Å; R743-I748 HydrophobicContact CB-CG1 3.82Å; R743-I748 HydrophobicContact CG-CG1 3.72Å; R744-I748 PolarHBondContact O-N 3.08Å; S745-I748 WeakPolarHBondContact O-CB 3.5Å; S745-I748 PolarHBondContact O-N 2.88Å; S745-I748 VanDerWaalsContact O-N 3.12Å; I748-L750 VanDerWaalsContact C-N 3.34Å; I748-L750 PolarHBondContact O-N 2.84Å; I748-Q751 WeakPolarHBondContact O-CB 3.42Å; I748-Q751 PolarHBondContact O-N 3.05Å; I748-Q751 VanDerWaalsContact O-N 3.13Å; I748-L752 HydrophobicContact CG2-CD1 4.04Å; I748-L752 HydrophobicContact CG2-CG 4.25Å; I748-L752 WeakPolarHBondContact O-CG 3.31Å; I748-L752 PolarHBondContact O-N 3.12Å
749	Y	90.6	Very high	91.3	Very high	8 Å²	8	25 Å²	25	3%	0.031	12%	0.12	C	C	.	.	H	α-helix	trans	-56.3	-50.3	176.9	177.9	-118.1	0	0	0	111.3	L295 D300 D302 S303 I306 S745 Q746 Q751 L752 L753	L295-Y749 HydrophobicContact CD2-CE1 4.16Å; D300-Y749 PolarHBondContact OD1-OH 3.06Å; D300-Y749 PolarHBondContact OD2-OH 3.38Å; D302-Y749 HydrophobicContact CB-CD1 3.51Å; D302-Y749 HydrophobicContact CB-CE1 3.37Å; D302-Y749 HydrophobicContact CB-CE2 4.4Å; D302-Y749 HydrophobicContact CB-CG 4.08Å; S303-Y749 PolarHBondContact OG-OH 3.25Å; I306-Y749 HydrophobicContact CD1-CD1 4.26Å; I306-Y749 HydrophobicContact CD1-CE1 4.25Å; S745-Y749 PolarHBondContact O-N 3.01Å; Q746-Y749 PolarHBondContact O-N 3.38Å; Y749-Q751 VanDerWaalsContact C-N 3.29Å; Y749-Q751 PolarHBondContact O-N 2.99Å; Y749-L752 PolarHBondContact O-N 2.96Å; Y749-L753 HydrophobicContact CD1-CD1 4.25Å; Y749-L753 HydrophobicContact CE1-CD1 3.67Å; Y749-L753 HydrophobicContact CE2-CD1 4.01Å; Y749-L753 HydrophobicContact CE2-CG 4.23Å; Y749-L753 WeakPolarHBondContact O-CG 3.44Å; Y749-L753 PolarHBondContact O-N 3.1Å
750	L	89.6	Confident	91.2	Very high	34 Å²	34	24 Å²	24	18%	0.178	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-35.7	177.4	-174.6	63.3	0	0	0	112.4	P291 L295 I448 Q746 S747 I748 L753 T754	P291-L750 HydrophobicContact CG-CD1 3.76Å; L295-L750 HydrophobicContact CD1-CD1 4.39Å; I448-L750 HydrophobicContact CD1-CD2 4.34Å; I448-L750 HydrophobicContact CG1-CD2 4.23Å; Q746-L750 PolarHBondContact O-N 2.87Å; S747-L750 PolarHBondContact O-N 3.39Å; I748-L750 VanDerWaalsContact C-N 3.34Å; I748-L750 PolarHBondContact O-N 2.84Å; L750-L753 PolarHBondContact O-N 2.98Å; L750-T754 HydrophobicContact CD1-CG2 3.8Å; L750-T754 PolarHBondContact O-N 3.04Å; L750-T754 PolarHBondContact O-OG1 3.21Å
751	Q	91.9	Very high	91.2	Very high	8 Å²	8	24 Å²	24	4%	0.037	12%	0.117	C	C	.	.	H	α-helix	trans	-64	-47.1	176.5	-175.8	-179.6	26.4	0	0	111.7	S747 I748 Y749 L753 T754 D755 E760	S747-Q751 WeakPolarHBondContact O-CB 3.41Å; S747-Q751 PolarHBondContact O-N 3.28Å; I748-Q751 WeakPolarHBondContact O-CB 3.42Å; I748-Q751 PolarHBondContact O-N 3.05Å; I748-Q751 VanDerWaalsContact O-N 3.13Å; Y749-Q751 VanDerWaalsContact C-N 3.29Å; Y749-Q751 PolarHBondContact O-N 2.99Å; Q751-L753 PolarHBondContact O-N 3.47Å; Q751-T754 PolarHBondContact O-N 3.04Å; Q751-D755 HydrophobicContact CB-CB 4.41Å; Q751-D755 HydrophobicContact CG-CB 3.57Å; Q751-D755 PolarHBondContact NE2-OD2 3Å; Q751-D755 VanDerWaalsContact O-CB 3.26Å; Q751-D755 WeakPolarHBondContact O-CB 3.36Å; Q751-D755 PolarHBondContact O-N 3.2Å; Q751-E760 PolarHBondContact NE2-OE1 2.9Å
752	L	90.9	Very high	91.4	Very high	15 Å²	15	22.8 Å²	22.8	8%	0.079	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-27.3	179	-70.1	175.1	0	0	0	112.6	V679 Q682 V684 I748 Y749 P759	V679-L752 WeakPolarHBondContact O-CD1 2.99Å; Q682-L752 HydrophobicContact CB-CD1 3.74Å; V684-L752 HydrophobicContact CG2-CD2 4.02Å; I748-L752 HydrophobicContact CG2-CD1 4.04Å; I748-L752 HydrophobicContact CG2-CG 4.25Å; I748-L752 WeakPolarHBondContact O-CG 3.31Å; I748-L752 PolarHBondContact O-N 3.12Å; Y749-L752 PolarHBondContact O-N 2.96Å; L752-P759 HydrophobicContact CD2-CG 3.7Å
753	L	87.2	Confident	91.7	Very high	25 Å²	25	22.2 Å²	22.2	13%	0.131	11%	0.108	C	C	.	.	H	α-helix	trans	-79.8	-56	172.3	-68.4	-177.2	0	0	0	112	L295 Y348 Y749 L750 Q751	L295-L753 HydrophobicContact CD2-CD1 4Å; Y348-L753 WeakPolarHBondContact CE1-O 3.27Å; Y348-L753 WeakPolarHBondContact OH-CA 3.41Å; Y348-L753 WeakPolarHBondContact OH-CB 3.32Å; Y348-L753 VanDerWaalsContact OH-CD2 3.28Å; Y348-L753 WeakPolarHBondContact OH-CD2 3.25Å; Y348-L753 PolarHBondContact OH-O 3.28Å; Y749-L753 HydrophobicContact CD1-CD1 4.25Å; Y749-L753 HydrophobicContact CE1-CD1 3.67Å; Y749-L753 HydrophobicContact CE2-CD1 4.01Å; Y749-L753 HydrophobicContact CE2-CG 4.23Å; Y749-L753 WeakPolarHBondContact O-CG 3.44Å; Y749-L753 PolarHBondContact O-N 3.1Å; L750-L753 PolarHBondContact O-N 2.98Å; Q751-L753 PolarHBondContact O-N 3.47Å
754	T	87.6	Confident	92.1	Very high	53 Å²	53	21 Å²	21	33%	0.325	10%	0.104	S	C	.	.	H	α-helix	trans	-104.5	-18	-159.8	58.3	0	0	0	0	114.8	P291 E292 L750 Q751	P291-T754 HydrophobicContact CB-CG2 4.24Å; P291-T754 HydrophobicContact CG-CG2 4.39Å; E292-T754 HydrophobicContact CB-CG2 3.97Å; E292-T754 HydrophobicContact CG-CG2 4.11Å; L750-T754 HydrophobicContact CD1-CG2 3.8Å; L750-T754 PolarHBondContact O-N 3.04Å; L750-T754 PolarHBondContact O-OG1 3.21Å; Q751-T754 PolarHBondContact O-N 3.04Å
755	D	91.2	Very high	92.5	Very high	45 Å²	45	20.6 Å²	20.6	24%	0.241	10%	0.103	C	C	.	.			trans	-91.1	131.7	-172.4	-160.4	-15.9	0	0	0	111.5	L688 Q751 H757	L688-D755 WeakPolarHBondContact CD2-O 3.43Å; Q751-D755 HydrophobicContact CB-CB 4.41Å; Q751-D755 HydrophobicContact CG-CB 3.57Å; Q751-D755 PolarHBondContact NE2-OD2 3Å; Q751-D755 VanDerWaalsContact O-CB 3.26Å; Q751-D755 WeakPolarHBondContact O-CB 3.36Å; Q751-D755 PolarHBondContact O-N 3.2Å; D755-H757 PolarHBondContact O-N 3.3Å; D755-H757 IonicContact OD1-CE1 2.72Å; D755-H757 IonicContact OD1-CG 2.73Å; D755-H757 PolarHBondContact OD1-N 3.28Å; D755-H757 IonicContact OD1-ND1 3.43Å; D755-H757 PolarHBondContact OD1-ND1 3.39Å
756	K	92.8	Very high	93	Very high	99 Å²	99	20.4 Å²	20.4	43%	0.43	10%	0.101	S	C	.	.	S	Bend	trans	-73.5	-15.4	173.6	-65.1	-178.3	-177.4	173.9	0	111.8	E347 L688 T689 E692	E347-K756 IonicContact OE1-NZ 2.64Å; E347-K756 WeakPolarHBondContact OE2-CE 3.49Å; E347-K756 IonicContact OE2-NZ 3.27Å; E347-K756 PolarHBondContact OE2-NZ 3.17Å; L688-K756 HydrophobicContact CD1-CG 4.43Å; T689-K756 WeakPolarHBondContact CA-O 3.24Å; T689-K756 WeakPolarHBondContact CB-O 3.45Å; T689-K756 WeakPolarHBondContact CG2-O 3.34Å; E692-K756 WeakPolarHBondContact CB-O 3.43Å; E692-K756 HydrophobicContact CG-CB 4.04Å; E692-K756 WeakPolarHBondContact CG-O 3.43Å
757	H	95.5	Very high	93.6	Very high	58 Å²	58	18.7 Å²	18.7	27%	0.269	9%	0.094	S	C	.	.	S	Bend	trans	-88	135.4	174.9	-52.1	92.8	0	0	0	110.5	E692 D755 R763	E692-H757 VanDerWaalsContact CD-NE2 3.31Å; E692-H757 VanDerWaalsContact CG-CD2 3.42Å; E692-H757 WeakPolarHBondContact CG-CD2 3.43Å; E692-H757 IonicContact OE1-NE2 3.16Å; E692-H757 IonicContact OE2-CD2 3.3Å; E692-H757 PolarHBondContact OE2-CD2 2.86Å; E692-H757 IonicContact OE2-NE2 2.8Å; E692-H757 PolarHBondContact OE2-NE2 3.43Å; E692-H757 VanDerWaalsContact OE2-NE2 3.12Å; D755-H757 PolarHBondContact O-N 3.3Å; D755-H757 IonicContact OD1-CE1 2.72Å; D755-H757 IonicContact OD1-CG 2.73Å; D755-H757 PolarHBondContact OD1-N 3.28Å; D755-H757 IonicContact OD1-ND1 3.43Å; D755-H757 PolarHBondContact OD1-ND1 3.39Å; H757-R763 PolarHBondContact CD2-NH1 2.76Å; H757-R763 VanDerWaalsContact CG-NH1 3.33Å
758	A	95.9	Very high	94	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-60.5	152.7	166.7	0	0	0	0	0	110.5	Y674 V684 T689 C762 R763	Y674-A758 HydrophobicContact CD1-CB 3.78Å; Y674-A758 HydrophobicContact CE1-CB 3.65Å; V684-A758 HydrophobicContact CG1-CB 4.38Å; T689-A758 HydrophobicContact CG2-CB 4.21Å; A758-C762 HydrophobicContact CB-CB 4.13Å; A758-R763 HydrophobicContact CB-CG 4.17Å; A758-R763 WeakPolarHBondContact O-CD 3.44Å; A758-R763 VanDerWaalsContact O-CG 3.27Å; A758-R763 WeakPolarHBondContact O-CG 3.25Å
759	P	95.5	Very high	94.4	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.026	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-50.3	147.5	171.8	-29.1	36.7	0	0	0	111.9	V679 V684 L752 H761 C762 R763	V679-P759 HydrophobicContact CB-CG 4.48Å; V679-P759 HydrophobicContact CG1-CG 4.47Å; V679-P759 HydrophobicContact CG2-CB 4.32Å; V679-P759 HydrophobicContact CG2-CG 4.12Å; V684-P759 HydrophobicContact CG2-CG 4.2Å; L752-P759 HydrophobicContact CD2-CG 3.7Å; P759-H761 VanDerWaalsContact C-N 3.3Å; P759-H761 PolarHBondContact O-N 3.49Å; P759-H761 VanDerWaalsContact O-N 3.14Å; P759-C762 WeakPolarHBondContact O-CA 3.26Å; P759-C762 VanDerWaalsContact O-CB 3.26Å; P759-C762 WeakPolarHBondContact O-CB 3.09Å; P759-C762 PolarHBondContact O-N 3Å; P759-R763 PolarHBondContact O-N 2.81Å; P759-R763 VanDerWaalsContact O-N 3.08Å
760	E	94.5	Very high	94.7	Very high	14 Å²	14	18.8 Å²	18.8	7%	0.065	9%	0.094	C	C	.	.	H	α-helix	trans	-64.8	-33.7	-158.7	-62.5	80.5	-169.2	0	0	113.3	W739 M741 R743 Q751 R763 V764	W739-E760 HydrophobicContact CB-CB 4.15Å; W739-E760 WeakPolarHBondContact O-CB 3.16Å; M741-E760 HydrophobicContact CE-CG 3.51Å; M741-E760 WeakPolarHBondContact CE-OE1 3.36Å; R743-E760 IonicContact CZ-OE1 3.38Å; R743-E760 IonicContact NE-OE1 2.65Å; R743-E760 IonicContact NH2-OE1 3Å; R743-E760 PolarHBondContact NH2-OE1 3.31Å; Q751-E760 PolarHBondContact NE2-OE1 2.9Å; E760-R763 WeakPolarHBondContact O-CB 3.13Å; E760-R763 PolarHBondContact O-N 2.87Å; E760-V764 PolarHBondContact O-N 2.83Å
761	H	94.8	Very high	95.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-69.1	-36.2	173	66.7	-77.9	0	0	0	112.2	T8 Y11 Y140 V679 P759 R763 V764 L765	T8-H761 VanDerWaalsContact CG2-NE2 3.3Å; T8-H761 WeakPolarHBondContact CG2-NE2 3.32Å; Y11-H761 AromaticContact CD1-CE1 3.38Å; Y11-H761 WeakPolarHBondContact CD1-CE1 3.4Å; Y11-H761 AromaticContact CD1-CG 3.74Å; Y11-H761 AromaticContact CD1-ND1 3.31Å; Y11-H761 VanDerWaalsContact CD1-ND1 3.31Å; Y11-H761 WeakPolarHBondContact CD1-ND1 3.22Å; Y11-H761 AromaticContact CD1-NE2 3.86Å; Y11-H761 HydrophobicContact CD2-CB 3.89Å; Y11-H761 AromaticContact CD2-CG 3.96Å; Y11-H761 AromaticContact CE1-CE1 3.38Å; Y11-H761 WeakPolarHBondContact CE1-CE1 3.29Å; Y11-H761 AromaticContact CE1-CG 3.98Å; Y11-H761 AromaticContact CE1-ND1 3.14Å; Y11-H761 WeakPolarHBondContact CE1-ND1 3.22Å; Y11-H761 HydrophobicContact CE2-CB 4.12Å; Y11-H761 AromaticContact CE2-ND1 3.9Å; Y11-H761 HydrophobicContact CG-CB 4.1Å; Y11-H761 AromaticContact CG-CG 3.71Å; Y11-H761 AromaticContact CG-ND1 3.74Å; Y11-H761 AromaticContact CZ-ND1 3.46Å; Y140-H761 HydrophobicContact CD1-CB 3.61Å; Y140-H761 HydrophobicContact CD2-CB 3.86Å; Y140-H761 HydrophobicContact CE1-CB 3.78Å; Y140-H761 HydrophobicContact CE2-CB 3.99Å; Y140-H761 HydrophobicContact CG-CB 3.65Å; V679-H761 VanDerWaalsContact CG2-CE1 3.42Å; V679-H761 WeakPolarHBondContact CG2-CE1 3.23Å; V679-H761 WeakPolarHBondContact CG2-NE2 3.5Å; P759-H761 VanDerWaalsContact C-N 3.3Å; P759-H761 PolarHBondContact O-N 3.49Å; P759-H761 VanDerWaalsContact O-N 3.14Å; H761-R763 VanDerWaalsContact C-N 3.32Å; H761-R763 PolarHBondContact O-N 3.5Å; H761-V764 PolarHBondContact O-N 2.81Å; H761-L765 VanDerWaalsContact O-CG 3.25Å; H761-L765 WeakPolarHBondContact O-CG 3.46Å; H761-L765 PolarHBondContact O-N 3.23Å
762	C	97.2	Very high	95.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.5	-35.7	175	-67	0	0	0	0	111.5	Y674 F677 A758 P759 V764 G766	Y674-C762 HydrophobicContact CE1-CB 4.34Å; F677-C762 HydrophobicContact CD2-CB 3.98Å; F677-C762 HydrophobicContact CE2-CB 4.26Å; F677-C762 HydrophobicContact CG-CB 4.24Å; F677-C762 VanDerWaalsContact CG-SG 3.56Å; A758-C762 HydrophobicContact CB-CB 4.13Å; P759-C762 WeakPolarHBondContact O-CA 3.26Å; P759-C762 VanDerWaalsContact O-CB 3.26Å; P759-C762 WeakPolarHBondContact O-CB 3.09Å; P759-C762 PolarHBondContact O-N 3Å; C762-V764 VanDerWaalsContact C-N 3.31Å; C762-V764 PolarHBondContact O-N 3.41Å; C762-G766 WeakPolarHBondContact O-CA 3.32Å; C762-G766 PolarHBondContact O-N 3.36Å
763	R	97.9	Very high	95.7	Very high	13 Å²	13	23 Å²	23	5%	0.049	12%	0.116	C	C	.	.	H	α-helix	trans	-57.6	-44.8	172.8	-60.7	-176.6	74.3	151.5	6.4	111.4	H632 D696 H757 A758 P759 E760 H761 S767	H632-R763 PolarHBondContact CE1-NH2 2.8Å; D696-R763 IonicContact OD1-CZ 2.98Å; D696-R763 IonicContact OD1-NE 3.69Å; D696-R763 IonicContact OD1-NH2 3.93Å; D696-R763 PolarHBondContact OD1-NH2 3.24Å; D696-R763 WeakPolarHBondContact OD2-CB 3.4Å; D696-R763 WeakPolarHBondContact OD2-CG 3.25Å; D696-R763 IonicContact OD2-CZ 3.22Å; D696-R763 IonicContact OD2-NE 3.84Å; D696-R763 PolarHBondContact OD2-NE 2.77Å; D696-R763 IonicContact OD2-NH2 3.84Å; D696-R763 PolarHBondContact OD2-NH2 3.25Å; H757-R763 PolarHBondContact CD2-NH1 2.76Å; H757-R763 VanDerWaalsContact CG-NH1 3.33Å; A758-R763 HydrophobicContact CB-CG 4.17Å; A758-R763 WeakPolarHBondContact O-CD 3.44Å; A758-R763 VanDerWaalsContact O-CG 3.27Å; A758-R763 WeakPolarHBondContact O-CG 3.25Å; P759-R763 PolarHBondContact O-N 2.81Å; P759-R763 VanDerWaalsContact O-N 3.08Å; E760-R763 WeakPolarHBondContact O-CB 3.13Å; E760-R763 PolarHBondContact O-N 2.87Å; H761-R763 VanDerWaalsContact C-N 3.32Å; H761-R763 PolarHBondContact O-N 3.5Å; R763-S767 VanDerWaalsContact O-CB 3.26Å; R763-S767 WeakPolarHBondContact O-CB 3.35Å; R763-S767 PolarHBondContact O-N 2.85Å; R763-S767 PolarHBondContact O-OG 3.48Å
764	V	98.3	Very high	96.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68.1	-56.6	177.9	175.8	0	0	0	0	111.6	F139 Y140 F735 A736 W739 E760 H761 C762 G766 S767 V768	F139-V764 HydrophobicContact CD1-CG1 4.02Å; Y140-V764 HydrophobicContact CD2-CB 3.91Å; Y140-V764 HydrophobicContact CD2-CG1 4.3Å; Y140-V764 HydrophobicContact CD2-CG2 3.78Å; Y140-V764 HydrophobicContact CE2-CG2 4.27Å; F735-V764 HydrophobicContact CE1-CG2 4.48Å; A736-V764 HydrophobicContact CB-CG1 3.66Å; A736-V764 HydrophobicContact CB-CG2 4.19Å; W739-V764 HydrophobicContact CB-CG2 3.71Å; W739-V764 VanDerWaalsContact CD1-CG2 3.47Å; W739-V764 HydrophobicContact CG-CG2 3.89Å; E760-V764 PolarHBondContact O-N 2.83Å; H761-V764 PolarHBondContact O-N 2.81Å; C762-V764 VanDerWaalsContact C-N 3.31Å; C762-V764 PolarHBondContact O-N 3.41Å; V764-G766 PolarHBondContact O-N 3.47Å; V764-S767 PolarHBondContact O-N 2.81Å; V764-V768 HydrophobicContact CG1-CG1 4.49Å; V764-V768 WeakPolarHBondContact O-CG2 3.28Å; V764-V768 PolarHBondContact O-N 3.25Å
765	L	98.3	Very high	96.8	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-64.1	-42.9	-174.2	-61.2	175.1	0	0	0	111.4	L7 F677 H761 S767 S769 M786	L7-L765 WeakPolarHBondContact O-CD1 3.46Å; F677-L765 HydrophobicContact CE1-CB 4.32Å; F677-L765 HydrophobicContact CZ-CB 4.28Å; H761-L765 VanDerWaalsContact O-CG 3.25Å; H761-L765 WeakPolarHBondContact O-CG 3.46Å; H761-L765 PolarHBondContact O-N 3.23Å; L765-S767 VanDerWaalsContact C-N 3.31Å; L765-S767 PolarHBondContact O-N 2.81Å; L765-S769 WeakPolarHBondContact O-CB 3.31Å; L765-S769 PolarHBondContact O-N 2.84Å; L765-S769 VanDerWaalsContact O-N 3.11Å; L765-S769 PolarHBondContact O-OG 2.68Å; L765-M786 HydrophobicContact CB-CE 4.23Å; L765-M786 HydrophobicContact CD2-CE 3.65Å; L765-M786 HydrophobicContact CD2-SD 3.51Å; L765-M786 VanDerWaalsContact CD2-SD 3.51Å; L765-M786 HydrophobicContact CG-CE 4.42Å
766	G	97.4	Very high	97.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.3	-33.7	176.1	0	0	0	0	0	112.9	C762 V764 Q770	C762-G766 WeakPolarHBondContact O-CA 3.32Å; C762-G766 PolarHBondContact O-N 3.36Å; V764-G766 PolarHBondContact O-N 3.47Å; G766-Q770 WeakPolarHBondContact O-CG 3.29Å
767	S	98.3	Very high	97.4	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-78.5	-51.7	177.7	-60.5	0	0	0	0	112.9	R763 V764 L765 Q770	R763-S767 VanDerWaalsContact O-CB 3.26Å; R763-S767 WeakPolarHBondContact O-CB 3.35Å; R763-S767 PolarHBondContact O-N 2.85Å; R763-S767 PolarHBondContact O-OG 3.48Å; V764-S767 PolarHBondContact O-N 2.81Å; L765-S767 VanDerWaalsContact C-N 3.31Å; L765-S767 PolarHBondContact O-N 2.81Å; S767-Q770 PolarHBondContact O-N 3.49Å
768	V	98.2	Very high	97.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-73.4	-35	-172.1	-56.6	0	0	0	0	112.6	F139 L700 F735 V764 Q770 F771 F774 M786	F139-V768 HydrophobicContact CB-CG2 3.99Å; F139-V768 HydrophobicContact CD1-CB 4.41Å; F139-V768 HydrophobicContact CD1-CG1 3.94Å; F139-V768 HydrophobicContact CD1-CG2 4.01Å; F139-V768 HydrophobicContact CE1-CG1 4.23Å; F139-V768 HydrophobicContact CG-CG2 4.26Å; L700-V768 HydrophobicContact CD2-CG1 3.99Å; F735-V768 HydrophobicContact CD1-CG1 4.09Å; F735-V768 HydrophobicContact CE1-CG1 4.01Å; V764-V768 HydrophobicContact CG1-CG1 4.49Å; V764-V768 WeakPolarHBondContact O-CG2 3.28Å; V764-V768 PolarHBondContact O-N 3.25Å; V768-Q770 PolarHBondContact O-N 2.81Å; V768-F771 PolarHBondContact O-N 3.41Å; V768-F774 HydrophobicContact CB-CB 4.44Å; V768-F774 HydrophobicContact CB-CD1 4.02Å; V768-F774 HydrophobicContact CB-CD2 3.83Å; V768-F774 HydrophobicContact CB-CE1 4.3Å; V768-F774 HydrophobicContact CB-CE2 4.07Å; V768-F774 HydrophobicContact CB-CG 3.8Å; V768-F774 HydrophobicContact CB-CZ 4.31Å; V768-F774 HydrophobicContact CG1-CD2 4.19Å; V768-F774 HydrophobicContact CG1-CE2 4.43Å; V768-F774 HydrophobicContact CG2-CD1 4.4Å; V768-F774 HydrophobicContact CG2-CE1 4.23Å; V768-F774 HydrophobicContact CG2-CE2 4.36Å; V768-F774 HydrophobicContact CG2-CZ 4.19Å; V768-F774 WeakPolarHBondContact O-CD1 3.43Å; V768-M786 HydrophobicContact CG2-SD 3.81Å
769	S	98	Very high	97.6	Very high	6 Å²	6	24.4 Å²	24.4	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-63.6	-30.1	179.4	64	0	0	0	0	112.2	L765 F771 P788 K791	L765-S769 WeakPolarHBondContact O-CB 3.31Å; L765-S769 PolarHBondContact O-N 2.84Å; L765-S769 VanDerWaalsContact O-N 3.11Å; L765-S769 PolarHBondContact O-OG 2.68Å; S769-F771 VanDerWaalsContact C-N 3.32Å; S769-P788 VanDerWaalsContact O-CD 3.3Å; S769-P788 WeakPolarHBondContact O-CD 3.26Å; S769-K791 PolarHBondContact O-NZ 3.02Å
770	Q	98	Very high	97.7	Very high	14 Å²	14	24.7 Å²	24.7	7%	0.065	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	5.3	-176.4	-52	-57.9	-64.7	0	0	113.1	L673 M697 G766 S767 V768	L673-Q770 HydrophobicContact CD2-CG 3.49Å; L673-Q770 VanDerWaalsContact CD2-CG 3.49Å; M697-Q770 HydrophobicContact CE-CB 3.37Å; M697-Q770 HydrophobicContact CE-CG 3.56Å; G766-Q770 WeakPolarHBondContact O-CG 3.29Å; S767-Q770 PolarHBondContact O-N 3.49Å; V768-Q770 PolarHBondContact O-N 2.81Å
771	F	97.9	Very high	97.9	Very high	9 Å²	9	28.1 Å²	28.1	4%	0.039	14%	0.144	C	C	.	.			trans	-112.5	119.5	-177.3	-164.4	-168.1	0	0	0	110.9	L700 K701 Y704 Y705 F732 V768 S769 E773 F774 A775	L700-F771 HydrophobicContact CD2-CD1 4.07Å; L700-F771 HydrophobicContact CG-CD1 4.09Å; L700-F771 HydrophobicContact CG-CE1 4.22Å; K701-F771 HydrophobicContact CB-CE1 4.46Å; K701-F771 HydrophobicContact CB-CE2 4.32Å; K701-F771 HydrophobicContact CB-CZ 4.14Å; K701-F771 HydrophobicContact CD-CE2 4.48Å; K701-F771 HydrophobicContact CG-CD2 4.49Å; K701-F771 HydrophobicContact CG-CE2 3.77Å; K701-F771 HydrophobicContact CG-CZ 3.9Å; Y704-F771 HydrophobicContact CD1-CE1 4.32Å; Y704-F771 AromaticContact CD1-CZ 3.75Å; Y704-F771 HydrophobicContact CD1-CZ 3.75Å; Y704-F771 AromaticContact CG-CE1 4Å; Y704-F771 HydrophobicContact CG-CE1 4Å; Y704-F771 AromaticContact CG-CZ 3.89Å; Y704-F771 HydrophobicContact CG-CZ 3.89Å; Y705-F771 HydrophobicContact CE2-CE2 4.23Å; Y705-F771 HydrophobicContact CE2-CZ 4.31Å; F732-F771 AromaticContact CE1-CD1 3.61Å; F732-F771 HydrophobicContact CE1-CD1 3.61Å; F732-F771 AromaticContact CE1-CE1 3.72Å; F732-F771 HydrophobicContact CE1-CE1 3.72Å; F732-F771 AromaticContact CZ-CD1 3.94Å; F732-F771 HydrophobicContact CZ-CD1 3.94Å; F732-F771 AromaticContact CZ-CE1 3.81Å; F732-F771 HydrophobicContact CZ-CE1 3.81Å; V768-F771 PolarHBondContact O-N 3.41Å; S769-F771 VanDerWaalsContact C-N 3.32Å; F771-E773 VanDerWaalsContact C-N 3.32Å; F771-E773 HydrophobicContact CD2-CB 4.1Å; F771-E773 WeakPolarHBondContact CD2-OE2 3.32Å; F771-E773 HydrophobicContact CE1-CB 4.21Å; F771-E773 HydrophobicContact CE2-CB 3.76Å; F771-E773 HydrophobicContact CE2-CG 3.88Å; F771-E773 WeakPolarHBondContact CE2-OE2 3.35Å; F771-E773 HydrophobicContact CG-CB 4.48Å; F771-E773 HydrophobicContact CZ-CB 3.79Å; F771-E773 HydrophobicContact CZ-CG 4.09Å; F771-E773 PolarHBondContact O-N 2.92Å; F771-F774 HydrophobicContact CB-CB 4.25Å; F771-F774 PolarHBondContact O-N 3.4Å; F771-A775 PolarHBondContact O-N 3.16Å
772	D	97.4	Very high	98	Very high	99 Å²	99	35.9 Å²	35.9	53%	0.529	18%	0.178	S	C	.	.	H	α-helix	trans	-66.1	-36.3	-176.6	-71.4	-40.4	0	0	0	112.5	F774 A775 R776 K791	D772-F774 VanDerWaalsContact C-N 3.29Å; D772-F774 PolarHBondContact O-N 3.28Å; D772-A775 PolarHBondContact O-N 2.91Å; D772-A775 VanDerWaalsContact O-N 3.16Å; D772-R776 PolarHBondContact O-N 2.92Å; D772-K791 WeakPolarHBondContact OD1-CD 3.35Å; D772-K791 WeakPolarHBondContact OD1-CE 3.31Å; D772-K791 IonicContact OD1-NZ 2.81Å; D772-K791 PolarHBondContact OD1-NZ 3.43Å
773	E	98.1	Very high	97.9	Very high	38 Å²	38	38.4 Å²	38.4	18%	0.178	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-37	178.7	-75	75.4	177.5	0	0	111.8	Y704 Y705 F732 F771 R776 V777	Y704-E773 HydrophobicContact CD1-CB 4.23Å; Y704-E773 HydrophobicContact CD1-CG 4.07Å; Y704-E773 HydrophobicContact CE1-CB 3.79Å; Y704-E773 HydrophobicContact CE1-CG 3.47Å; Y704-E773 VanDerWaalsContact CE1-CG 3.47Å; Y704-E773 HydrophobicContact CE2-CB 4.45Å; Y705-E773 VanDerWaalsContact CZ-OE1 3.29Å; Y705-E773 VanDerWaalsContact OH-CD 3.27Å; Y705-E773 PolarHBondContact OH-OE1 2.87Å; F732-E773 HydrophobicContact CZ-CB 4.44Å; F771-E773 VanDerWaalsContact C-N 3.32Å; F771-E773 HydrophobicContact CD2-CB 4.1Å; F771-E773 WeakPolarHBondContact CD2-OE2 3.32Å; F771-E773 HydrophobicContact CE1-CB 4.21Å; F771-E773 HydrophobicContact CE2-CB 3.76Å; F771-E773 HydrophobicContact CE2-CG 3.88Å; F771-E773 WeakPolarHBondContact CE2-OE2 3.35Å; F771-E773 HydrophobicContact CG-CB 4.48Å; F771-E773 HydrophobicContact CZ-CB 3.79Å; F771-E773 HydrophobicContact CZ-CG 4.09Å; F771-E773 PolarHBondContact O-N 2.92Å; E773-R776 PolarHBondContact O-N 3.49Å; E773-V777 VanDerWaalsContact O-CB 3.28Å; E773-V777 WeakPolarHBondContact O-CB 3.49Å; E773-V777 WeakPolarHBondContact O-CG2 3.25Å; E773-V777 PolarHBondContact O-N 2.86Å
774	F	98.6	Very high	97.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-51.7	172.4	170	-93.9	0	0	0	110.8	F139 F732 V768 F771 D772 R776 V777 F778 M786	F139-F774 HydrophobicContact CB-CZ 4.04Å; F139-F774 AromaticContact CD1-CE2 3.84Å; F139-F774 HydrophobicContact CD1-CE2 3.84Å; F139-F774 HydrophobicContact CD1-CZ 4.21Å; F139-F774 AromaticContact CD2-CE2 3.53Å; F139-F774 HydrophobicContact CD2-CE2 3.53Å; F139-F774 AromaticContact CD2-CZ 3.51Å; F139-F774 HydrophobicContact CD2-CZ 3.51Å; F139-F774 AromaticContact CE1-CE2 3.83Å; F139-F774 HydrophobicContact CE1-CE2 3.83Å; F139-F774 AromaticContact CE2-CE2 3.55Å; F139-F774 HydrophobicContact CE2-CE2 3.55Å; F139-F774 AromaticContact CE2-CZ 3.99Å; F139-F774 HydrophobicContact CE2-CZ 3.99Å; F139-F774 AromaticContact CG-CE2 3.69Å; F139-F774 HydrophobicContact CG-CE2 3.69Å; F139-F774 AromaticContact CG-CZ 3.65Å; F139-F774 HydrophobicContact CG-CZ 3.65Å; F139-F774 AromaticContact CZ-CE2 3.7Å; F139-F774 HydrophobicContact CZ-CE2 3.7Å; F732-F774 HydrophobicContact CB-CD2 4.1Å; F732-F774 HydrophobicContact CB-CE2 4.41Å; F732-F774 HydrophobicContact CD1-CB 4.26Å; F732-F774 AromaticContact CD1-CD2 3.84Å; F732-F774 HydrophobicContact CD1-CD2 3.84Å; F732-F774 HydrophobicContact CD2-CD2 4.14Å; F732-F774 HydrophobicContact CE1-CB 3.88Å; F732-F774 HydrophobicContact CE1-CD2 4.31Å; F732-F774 HydrophobicContact CE2-CB 4.34Å; F732-F774 AromaticContact CG-CD2 3.76Å; F732-F774 HydrophobicContact CG-CD2 3.76Å; F732-F774 HydrophobicContact CZ-CB 3.91Å; V768-F774 HydrophobicContact CB-CB 4.44Å; V768-F774 HydrophobicContact CB-CD1 4.02Å; V768-F774 HydrophobicContact CB-CD2 3.83Å; V768-F774 HydrophobicContact CB-CE1 4.3Å; V768-F774 HydrophobicContact CB-CE2 4.07Å; V768-F774 HydrophobicContact CB-CG 3.8Å; V768-F774 HydrophobicContact CB-CZ 4.31Å; V768-F774 HydrophobicContact CG1-CD2 4.19Å; V768-F774 HydrophobicContact CG1-CE2 4.43Å; V768-F774 HydrophobicContact CG2-CD1 4.4Å; V768-F774 HydrophobicContact CG2-CE1 4.23Å; V768-F774 HydrophobicContact CG2-CE2 4.36Å; V768-F774 HydrophobicContact CG2-CZ 4.19Å; V768-F774 WeakPolarHBondContact O-CD1 3.43Å; F771-F774 HydrophobicContact CB-CB 4.25Å; F771-F774 PolarHBondContact O-N 3.4Å; D772-F774 VanDerWaalsContact C-N 3.29Å; D772-F774 PolarHBondContact O-N 3.28Å; F774-R776 VanDerWaalsContact C-N 3.28Å; F774-R776 PolarHBondContact O-N 3.32Å; F774-V777 PolarHBondContact O-N 2.85Å; F774-F778 AromaticContact CD2-CD2 3.68Å; F774-F778 HydrophobicContact CD2-CD2 3.68Å; F774-F778 AromaticContact CD2-CE2 3.93Å; F774-F778 HydrophobicContact CD2-CE2 3.93Å; F774-F778 AromaticContact CE2-CD2 3.4Å; F774-F778 HydrophobicContact CE2-CD2 3.4Å; F774-F778 AromaticContact CE2-CE2 3.62Å; F774-F778 HydrophobicContact CE2-CE2 3.62Å; F774-F778 HydrophobicContact CE2-CG 4.12Å; F774-F778 HydrophobicContact CE2-CZ 4.47Å; F774-F778 HydrophobicContact CG-CD2 4.48Å; F774-F778 HydrophobicContact CZ-CB 4.49Å; F774-F778 AromaticContact CZ-CD2 3.97Å; F774-F778 HydrophobicContact CZ-CD2 3.97Å; F774-F778 HydrophobicContact CZ-CG 4.26Å; F774-F778 PolarHBondContact O-N 2.85Å; F774-M786 HydrophobicContact CE1-CB 3.66Å; F774-M786 HydrophobicContact CE1-CG 4.44Å; F774-M786 HydrophobicContact CZ-CB 4.37Å
775	A	98.4	Very high	97.8	Very high	7 Å²	7	40.1 Å²	40.1	6%	0.058	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-38.1	-179.7	0	0	0	0	0	111.9	F771 D772 N779 C780 N787	F771-A775 PolarHBondContact O-N 3.16Å; D772-A775 PolarHBondContact O-N 2.91Å; D772-A775 VanDerWaalsContact O-N 3.16Å; A775-N779 CarbonylContact O-C 3.34Å; A775-N779 WeakPolarHBondContact O-CA 3.46Å; A775-N779 PolarHBondContact O-N 3.48Å; A775-C780 HydrophobicContact CB-CB 4.18Å; A775-C780 PolarHBondContact O-N 2.88Å; A775-N787 HydrophobicContact CB-CB 3.93Å; A775-N787 VanDerWaalsContact CB-CG 3.44Å; A775-N787 WeakPolarHBondContact CB-OD1 3.33Å
776	R	98.5	Very high	97.8	Very high	133 Å²	133	40.1 Å²	40.1	50%	0.502	22%	0.217	S	C	.	.	H	α-helix	trans	-63.1	-49.5	173.6	-175.5	-173.5	66.6	76.6	-0.9	111.7	Y704 E728 D772 E773 F774 F778 N779	Y704-R776 PolarHBondContact OH-NH2 2.87Å; E728-R776 IonicContact OE1-NH2 3.06Å; E728-R776 PolarHBondContact OE1-NH2 3.37Å; E728-R776 IonicContact OE2-NH1 3.83Å; E728-R776 IonicContact OE2-NH2 2.7Å; D772-R776 PolarHBondContact O-N 2.92Å; E773-R776 PolarHBondContact O-N 3.49Å; F774-R776 VanDerWaalsContact C-N 3.28Å; F774-R776 PolarHBondContact O-N 3.32Å; R776-F778 VanDerWaalsContact C-N 3.33Å; R776-F778 PolarHBondContact O-N 3.4Å; R776-N779 PolarHBondContact O-N 2.91Å; R776-N779 PolarHBondContact O-OD1 3.45Å
777	V	97.9	Very high	97.8	Very high	10 Å²	10	41.2 Å²	41.2	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-30.9	-174.3	166.3	0	0	0	0	112.6	E728 Q729 F732 E773 F774	E728-V777 HydrophobicContact CB-CG1 3.78Å; E728-V777 HydrophobicContact CB-CG2 3.9Å; Q729-V777 HydrophobicContact CB-CG1 4.25Å; Q729-V777 HydrophobicContact CG-CG1 3.4Å; Q729-V777 PolarHBondContact NE2-O 3.39Å; Q729-V777 VanDerWaalsContact NE2-O 3.11Å; F732-V777 HydrophobicContact CD2-CG1 4.18Å; F732-V777 HydrophobicContact CE2-CB 4.15Å; F732-V777 HydrophobicContact CE2-CG1 4.24Å; F732-V777 HydrophobicContact CE2-CG2 4.21Å; E773-V777 VanDerWaalsContact O-CB 3.28Å; E773-V777 WeakPolarHBondContact O-CB 3.49Å; E773-V777 WeakPolarHBondContact O-CG2 3.25Å; E773-V777 PolarHBondContact O-N 2.86Å; F774-V777 PolarHBondContact O-N 2.85Å
778	F	98.3	Very high	97.7	Very high	19 Å²	19	42.7 Å²	42.7	8%	0.083	23%	0.232	C	C	.	.	H	α-helix	trans	-98.8	1.9	175.6	-76.2	-89.2	0	0	0	114.2	P135 F139 F142 Q729 F732 I733 F774 R776 C780	P135-F778 HydrophobicContact CB-CD1 3.68Å; P135-F778 HydrophobicContact CB-CE1 4.04Å; P135-F778 HydrophobicContact CB-CG 4.43Å; P135-F778 HydrophobicContact CG-CD1 3.73Å; P135-F778 HydrophobicContact CG-CE1 4.31Å; F139-F778 HydrophobicContact CE2-CD1 4.44Å; F139-F778 HydrophobicContact CE2-CD2 4.5Å; F139-F778 AromaticContact CE2-CE1 3.82Å; F139-F778 HydrophobicContact CE2-CE1 3.82Å; F139-F778 AromaticContact CE2-CE2 3.89Å; F139-F778 HydrophobicContact CE2-CE2 3.89Å; F139-F778 AromaticContact CE2-CZ 3.51Å; F139-F778 HydrophobicContact CE2-CZ 3.51Å; F139-F778 HydrophobicContact CZ-CE2 4.06Å; F139-F778 AromaticContact CZ-CZ 3.84Å; F139-F778 HydrophobicContact CZ-CZ 3.84Å; F142-F778 HydrophobicContact CE1-CE1 4.26Å; Q729-F778 HydrophobicContact CB-CE1 4.25Å; Q729-F778 HydrophobicContact CB-CE2 4.21Å; Q729-F778 HydrophobicContact CB-CZ 3.74Å; Q729-F778 HydrophobicContact CG-CD1 4.49Å; Q729-F778 HydrophobicContact CG-CD2 4.5Å; Q729-F778 HydrophobicContact CG-CE1 4.07Å; Q729-F778 HydrophobicContact CG-CE2 4.06Å; Q729-F778 HydrophobicContact CG-CZ 3.83Å; F732-F778 HydrophobicContact CB-CE2 3.86Å; F732-F778 HydrophobicContact CB-CZ 4.46Å; F732-F778 AromaticContact CD2-CE2 3.97Å; F732-F778 HydrophobicContact CD2-CE2 3.97Å; F732-F778 HydrophobicContact CG-CE2 4.23Å; I733-F778 HydrophobicContact CD1-CZ 4.48Å; I733-F778 HydrophobicContact CG1-CZ 4.28Å; F774-F778 AromaticContact CD2-CD2 3.68Å; F774-F778 HydrophobicContact CD2-CD2 3.68Å; F774-F778 AromaticContact CD2-CE2 3.93Å; F774-F778 HydrophobicContact CD2-CE2 3.93Å; F774-F778 AromaticContact CE2-CD2 3.4Å; F774-F778 HydrophobicContact CE2-CD2 3.4Å; F774-F778 AromaticContact CE2-CE2 3.62Å; F774-F778 HydrophobicContact CE2-CE2 3.62Å; F774-F778 HydrophobicContact CE2-CG 4.12Å; F774-F778 HydrophobicContact CE2-CZ 4.47Å; F774-F778 HydrophobicContact CG-CD2 4.48Å; F774-F778 HydrophobicContact CZ-CB 4.49Å; F774-F778 AromaticContact CZ-CD2 3.97Å; F774-F778 HydrophobicContact CZ-CD2 3.97Å; F774-F778 HydrophobicContact CZ-CG 4.26Å; F774-F778 PolarHBondContact O-N 2.85Å; R776-F778 VanDerWaalsContact C-N 3.33Å; R776-F778 PolarHBondContact O-N 3.4Å; F778-C780 VanDerWaalsContact C-N 3.31Å; F778-C780 PolarHBondContact O-N 3.43Å
779	N	98.1	Very high	97.6	Very high	139 Å²	139	47.4 Å²	47.4	74%	0.743	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	45.4	-175.8	-59.5	-59.2	0	0	0	113	A775 R776 P781	A775-N779 CarbonylContact O-C 3.34Å; A775-N779 WeakPolarHBondContact O-CA 3.46Å; A775-N779 PolarHBondContact O-N 3.48Å; R776-N779 PolarHBondContact O-N 2.91Å; R776-N779 PolarHBondContact O-OD1 3.45Å; N779-P781 WeakPolarHBondContact O-CD 3.43Å
780	C	98.4	Very high	97.4	Very high	10 Å²	10	55.2 Å²	55.2	7%	0.068	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-74.7	124.9	-177.8	-63.7	0	0	0	0	112	C136 A775 F778 N787	C136-C780 VanDerWaalsContact CA-SG 3.52Å; C136-C780 HydrophobicContact CB-CB 3.65Å; C136-C780 WeakPolarHBondContact CB-SG 3.44Å; C136-C780 WeakPolarHBondContact SG-CA 3.48Å; C136-C780 WeakPolarHBondContact SG-CB 3.27Å; C136-C780 CovalentContact SG-SG 2.05Å; C136-C780 PolarHBondContact SG-SG 2.91Å; A775-C780 HydrophobicContact CB-CB 4.18Å; A775-C780 PolarHBondContact O-N 2.88Å; F778-C780 VanDerWaalsContact C-N 3.31Å; F778-C780 PolarHBondContact O-N 3.43Å; C780-N787 HydrophobicContact CB-CB 3.83Å; C780-N787 PolarHBondContact O-ND2 2.97Å
781	P	98	Very high	97.4	Very high	87 Å²	87	57 Å²	57	57%	0.565	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-58.2	140.8	176.9	-23.7	33.8	0	0	0	111.8	N779 G783 S784	N779-P781 WeakPolarHBondContact O-CD 3.43Å; P781-G783 PolarHBondContact O-N 3.4Å; P781-S784 VanDerWaalsContact O-CB 3.31Å; P781-S784 WeakPolarHBondContact O-CB 3.28Å; P781-S784 PolarHBondContact O-N 2.89Å; P781-S784 PolarHBondContact O-OG 3.31Å; P781-S784 VanDerWaalsContact O-OG 3.07Å
782	K	97.4	Very high	97.3	Very high	164 Å²	164	57 Å²	57	71%	0.713	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	130.2	174.4	-174.7	174.6	-178	175.8	0	110	V789	K782-V789 HydrophobicContact CG-CG2 4.13Å
783	G	95.5	Very high	97	Very high	53 Å²	53	54 Å²	54	55%	0.546	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-1.3	-176.1	0	0	0	0	0	114.7	P781 N787	P781-G783 PolarHBondContact O-N 3.4Å; G783-N787 WeakPolarHBondContact CA-O 3.28Å; G783-N787 PolarHBondContact N-O 2.87Å
784	S	97	Very high	96.9	Very high	13 Å²	13	52.5 Å²	52.5	9%	0.091	29%	0.285	C	S	.	.	S	Bend	trans	-65.5	158.4	166.8	75.5	0	0	0	0	110.3	C136 P781 M786 N787	C136-S784 PolarHBondContact O-OG 3Å; P781-S784 VanDerWaalsContact O-CB 3.31Å; P781-S784 WeakPolarHBondContact O-CB 3.28Å; P781-S784 PolarHBondContact O-N 2.89Å; P781-S784 PolarHBondContact O-OG 3.31Å; P781-S784 VanDerWaalsContact O-OG 3.07Å; S784-M786 PolarHBondContact O-N 2.72Å; S784-M786 VanDerWaalsContact O-N 3.16Å; S784-N787 CarbonylContact O-C 3.54Å; S784-N787 WeakPolarHBondContact O-CA 3.5Å; S784-N787 PolarHBondContact O-N 3.38Å; S784-N787 PolarHBondContact OG-N 3.34Å
785	P	96	Very high	96.7	Very high	36 Å²	36	52.8 Å²	52.8	23%	0.234	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-42.2	178.9	-32.5	38.6	0	0	0	114.1	L7 Q137 N787	L7-P785 HydrophobicContact CD2-CB 3.72Å; Q137-P785 VanDerWaalsContact O-CB 3.29Å; Q137-P785 WeakPolarHBondContact O-CB 3.4Å; Q137-P785 VanDerWaalsContact OE1-CG 3.29Å; P785-N787 VanDerWaalsContact C-N 3.32Å
786	M	97.6	Very high	96.6	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.015	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	11.1	177.5	-54.2	-68.6	96.6	0	0	114.3	L7 P135 C136 F139 L765 V768 F774 S784	L7-M786 HydrophobicContact CD2-CE 4.35Å; P135-M786 WeakPolarHBondContact O-CG 3.48Å; C136-M786 WeakPolarHBondContact O-CB 3.49Å; C136-M786 WeakPolarHBondContact O-CG 3.47Å; C136-M786 PolarHBondContact O-N 2.68Å; C136-M786 VanDerWaalsContact O-N 3.08Å; F139-M786 HydrophobicContact CB-CG 4.18Å; F139-M786 HydrophobicContact CB-SD 3.9Å; L765-M786 HydrophobicContact CB-CE 4.23Å; L765-M786 HydrophobicContact CD2-CE 3.65Å; L765-M786 HydrophobicContact CD2-SD 3.51Å; L765-M786 VanDerWaalsContact CD2-SD 3.51Å; L765-M786 HydrophobicContact CG-CE 4.42Å; V768-M786 HydrophobicContact CG2-SD 3.81Å; F774-M786 HydrophobicContact CE1-CB 3.66Å; F774-M786 HydrophobicContact CE1-CG 4.44Å; F774-M786 HydrophobicContact CZ-CB 4.37Å; S784-M786 PolarHBondContact O-N 2.72Å; S784-M786 VanDerWaalsContact O-N 3.16Å
787	N	98.1	Very high	96.5	Very high	22 Å²	22	50.9 Å²	50.9	12%	0.118	29%	0.287	C	S	.	.	S	Bend	trans	-145.2	61.7	171.5	-169.2	21.8	0	0	0	111.5	A775 C780 G783 S784 P785 K791	A775-N787 HydrophobicContact CB-CB 3.93Å; A775-N787 VanDerWaalsContact CB-CG 3.44Å; A775-N787 WeakPolarHBondContact CB-OD1 3.33Å; C780-N787 HydrophobicContact CB-CB 3.83Å; C780-N787 PolarHBondContact O-ND2 2.97Å; G783-N787 WeakPolarHBondContact CA-O 3.28Å; G783-N787 PolarHBondContact N-O 2.87Å; S784-N787 CarbonylContact O-C 3.54Å; S784-N787 WeakPolarHBondContact O-CA 3.5Å; S784-N787 PolarHBondContact O-N 3.38Å; S784-N787 PolarHBondContact OG-N 3.34Å; P785-N787 VanDerWaalsContact C-N 3.32Å; N787-K791 VanDerWaalsContact OD1-CE 3.28Å; N787-K791 WeakPolarHBondContact OD1-CE 3.49Å; N787-K791 PolarHBondContact OD1-NZ 3.49Å
788	P	96.9	Very high	96.4	Very high	34 Å²	34	53.2 Å²	53.2	22%	0.221	30%	0.299	C	S	.	.			trans	-59.8	153.1	176	27.2	-35.4	0	0	0	111.4	S769 K791	S769-P788 VanDerWaalsContact O-CD 3.3Å; S769-P788 WeakPolarHBondContact O-CD 3.26Å; P788-K791 HydrophobicContact CG-CG 4.47Å
789	V	95.6	Very high	96.3	Very high	99 Å²	99	55.2 Å²	55.2	60%	0.6	31%	0.312	S	S	*	.	S	Bend	trans	-67.8	-41.7	-178.7	177.8	0	0	0	0	111.5	K782	K782-V789 HydrophobicContact CG-CG2 4.13Å
790	E	94.6	Very high	96.2	Very high	171 Å²	171	50 Å²	50	80%	0.799	29%	0.285	S	S	*	.	S	Bend	trans	-97.6	128.8	175.7	-62.3	-171.9	173.4	0	0	109
791	K	96.4	Very high	96	Very high	51 Å²	51	52.7 Å²	52.7	22%	0.222	30%	0.3	C	S	.	.			trans	-122.2	135.7	179.9	-65.4	178.2	-174.3	-111.3	0	111	S769 D772 N787 P788	S769-K791 PolarHBondContact O-NZ 3.02Å; D772-K791 WeakPolarHBondContact OD1-CD 3.35Å; D772-K791 WeakPolarHBondContact OD1-CE 3.31Å; D772-K791 IonicContact OD1-NZ 2.81Å; D772-K791 PolarHBondContact OD1-NZ 3.43Å; N787-K791 VanDerWaalsContact OD1-CE 3.28Å; N787-K791 WeakPolarHBondContact OD1-CE 3.49Å; N787-K791 PolarHBondContact OD1-NZ 3.49Å; P788-K791 HydrophobicContact CG-CG 4.47Å
792	C	96.2	Very high	95.9	Very high	10 Å²	10	50.2 Å²	50.2	7%	0.068	28%	0.281	C	S	.	.			trans	-90	133.8	173.8	-58.4	0	0	0	0	110	C669 I670 M697	C669-C792 HydrophobicContact CB-CB 3.76Å; C669-C792 WeakPolarHBondContact CB-SG 3.4Å; C669-C792 PolarHBondContact O-SG 3.37Å; C669-C792 WeakPolarHBondContact SG-CA 3.26Å; C669-C792 WeakPolarHBondContact SG-CB 3.48Å; C669-C792 CovalentContact SG-SG 2.05Å; C669-C792 PolarHBondContact SG-SG 2.8Å; I670-C792 HydrophobicContact CG1-CB 3.9Å; M697-C792 HydrophobicContact CE-CB 4.4Å; M697-C792 WeakPolarHBondContact CE-O 3.41Å
793	S	92.3	Very high	95.8	Very high	35 Å²	35	41.5 Å²	41.5	25%	0.245	25%	0.247	C	C	.	.			trans	-158.5	135.4	173.9	-175.1	0	0	0	0	111.8	K666 K701	K666-S793 WeakPolarHBondContact CD-O 3.41Å; K666-S793 PolarHBondContact NZ-O 2.96Å; K701-S793 PolarHBondContact NZ-OG 2.77Å
794	V	95.4	Very high	95.8	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.036	22%	0.223	C	C	.	.			trans	-102.8	-69.2	173.8	-175.3	0	0	0	0	110.5	W510 F663 K666 I670 I694	W510-V794 HydrophobicContact CH2-CG1 4.23Å; W510-V794 HydrophobicContact CZ2-CG1 3.83Å; W510-V794 PolarHBondContact NE1-O 3.45Å; F663-V794 HydrophobicContact CD2-CG1 3.73Å; F663-V794 HydrophobicContact CE2-CG1 3.81Å; K666-V794 HydrophobicContact CB-CG2 3.9Å; I670-V794 HydrophobicContact CD1-CG2 3.72Å; I694-V794 HydrophobicContact CG1-CG2 4.4Å
795	W	93.8	Very high	95.7	Very high	6 Å²	6	43 Å²	43	2%	0.023	23%	0.234	C	C	.	.			trans	-90.2	0	-172.2	-56.9	114	0	0	0	114.2	R504 L505 L508 W510 M511 T635 Y638 W655 F663 K701	R504-W795 VanDerWaalsContact CZ-OXT 3.27Å; R504-W795 PolarHBondContact NE-OXT 3.5Å; R504-W795 VanDerWaalsContact NH2-C 3.32Å; R504-W795 PolarHBondContact NH2-O 3.23Å; R504-W795 PolarHBondContact NH2-OXT 3.06Å; L505-W795 HydrophobicContact CD2-CE3 4.25Å; L505-W795 HydrophobicContact CD2-CZ3 3.94Å; L508-W795 HydrophobicContact CD1-CE3 3.83Å; L508-W795 HydrophobicContact CD1-CZ3 3.94Å; W510-W795 AromaticContact CH2-CH2 3.63Å; W510-W795 HydrophobicContact CH2-CH2 3.63Å; W510-W795 HydrophobicContact CH2-CZ2 4.13Å; W510-W795 AromaticContact CH2-CZ3 3.95Å; W510-W795 HydrophobicContact CH2-CZ3 3.95Å; W510-W795 HydrophobicContact CZ2-CE3 4.13Å; W510-W795 AromaticContact CZ2-CH2 3.89Å; W510-W795 HydrophobicContact CZ2-CH2 3.89Å; W510-W795 HydrophobicContact CZ2-CZ2 4.36Å; W510-W795 AromaticContact CZ2-CZ3 3.77Å; W510-W795 HydrophobicContact CZ2-CZ3 3.77Å; M511-W795 HydrophobicContact CE-CZ3 4.36Å; M511-W795 HydrophobicContact SD-CH2 4.21Å; M511-W795 HydrophobicContact SD-CZ3 3.72Å; T635-W795 HydrophobicContact CG2-CG 4.15Å; Y638-W795 VanDerWaalsContact CB-CE2 3.47Å; Y638-W795 HydrophobicContact CD1-CH2 4.34Å; Y638-W795 HydrophobicContact CG-CH2 4.41Å; Y638-W795 HydrophobicContact CG-CZ2 4.38Å; Y638-W795 WeakPolarHBondContact O-CZ2 3.47Å; Y638-W795 PolarHBondContact O-NE1 3.48Å; W655-W795 AromaticContact CH2-CH2 3.45Å; W655-W795 HydrophobicContact CH2-CH2 3.45Å; W655-W795 VanDerWaalsContact CH2-CH2 3.45Å; W655-W795 AromaticContact CH2-CZ2 3.77Å; W655-W795 HydrophobicContact CH2-CZ2 3.77Å; W655-W795 HydrophobicContact CZ2-CH2 4.33Å; W655-W795 HydrophobicContact CZ2-CZ2 4.49Å; W655-W795 HydrophobicContact CZ3-CH2 4.15Å; F663-W795 AromaticContact CD2-CZ2 3.99Å; F663-W795 HydrophobicContact CD2-CZ2 3.99Å; F663-W795 AromaticContact CE2-CZ2 3.88Å; F663-W795 HydrophobicContact CE2-CZ2 3.88Å; K701-W795 WeakPolarHBondContact CD-O 3.42Å; K701-W795 PolarHBondContact NZ-O 3.14Å

Retrieved 795 of 795 residues in 962.6 ms (Link to these results)

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