A0A087Y8R6_POEFO Loading...

Ral GEF with PH domain and SH3 binding motif 2

AlphaFold DB , UniProt , Accession A0A087Y8R6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 584 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	34.8	Very low	229 Å²	229	137.2 Å²	137.2	100%	1.128	80%	0.796	S	S	*	*				0	92.9	0	-61.3	-167.7	-161.2	0	0	107.7
2	D	40.4	Very low	34.4	Very low	139 Å²	139	138.8 Å²	138.8	74%	0.743	80%	0.799	S	S	*	*			cis	-157.1	107.6	-15	-77.6	-42.2	0	0	0	101.8
3	L	38.2	Very low	34	Very low	155 Å²	155	139.5 Å²	139.5	81%	0.812	81%	0.807	S	S	*	*				58.5	151.6	88.7	-74.4	175.4	0	0	0	114.2
4	P	59.4	Low	33.5	Very low	95 Å²	95	136.6 Å²	136.6	62%	0.617	81%	0.809	S	S	*	*				-149.4	-154.7	-59.3	39.1	-17.1	0	0	0	112
5	N	34.1	Very low	33.2	Very low	160 Å²	160	133 Å²	133	86%	0.856	80%	0.8	S	S	*	*			trans	91.3	131.5	153.1	-77.6	-1.6	0	0	0	117.6
6	G	32.2	Very low	32.9	Very low	67 Å²	67	132.5 Å²	132.5	69%	0.691	80%	0.798	S	S	*	*			cis	173.8	138.4	3.6	0	0	0	0	0	110.2
7	Q	28	Very low	32.7	Very low	192 Å²	192	131.9 Å²	131.9	90%	0.897	80%	0.795	S	S	*	*			trans	-12.9	157.8	146.9	-76.4	175.8	-18.5	0	0	116.2
8	S	29.2	Very low	32.5	Very low	97 Å²	97	130 Å²	130	68%	0.678	79%	0.789	S	S	*	*			cis	173.8	-176.5	2.8	52.5	0	0	0	0	106.9
9	S	27.7	Very low	32.4	Very low	99 Å²	99	132.5 Å²	132.5	69%	0.692	79%	0.791	S	S	*	*			trans	77.3	108.6	160.8	65.3	0	0	0	0	116.7
10	I	30	Very low	32.3	Very low	157 Å²	157	135.3 Å²	135.3	81%	0.805	79%	0.792	S	S	*	*				55.4	113.6	73.8	-55.8	171	0	0	0	111.5
11	S	27.2	Very low	32.2	Very low	119 Å²	119	134.4 Å²	134.4	83%	0.832	79%	0.793	S	S	*	*				-176.8	135.1	128	-75.3	0	0	0	0	112
12	N	30	Very low	31.9	Very low	156 Å²	156	129.2 Å²	129.2	83%	0.834	78%	0.78	S	S	*	*			trans	-58.9	153.1	173	-66.1	-38.4	0	0	0	113.4
13	T	28.9	Very low	31.5	Very low	148 Å²	148	128 Å²	128	91%	0.908	78%	0.783	S	S	*	*			trans	-157.3	128.7	131.8	37.7	0	0	0	0	110.6
14	A	27.5	Very low	31.2	Very low	100 Å²	100	126.2 Å²	126.2	83%	0.826	78%	0.783	S	S	*	*			trans	-85.3	154.2	167.9	0	0	0	0	0	110.6
15	A	29.3	Very low	30.2	Very low	82 Å²	82	130.9 Å²	130.9	68%	0.678	80%	0.796	S	S	*	*				148.5	133.3	125.5	0	0	0	0	0	113.3
16	T	28.5	Very low	30.2	Very low	125 Å²	125	128.2 Å²	128.2	77%	0.767	79%	0.79	S	S	*	*			trans	64.3	141.7	140.8	53.4	0	0	0	0	118.9
17	T	29.1	Very low	30.6	Very low	122 Å²	122	133.6 Å²	133.6	75%	0.748	80%	0.802	S	S	*	*			cis	-172	151.8	4.3	14.9	0	0	0	0	108.7
18	S	28.7	Very low	31	Very low	98 Å²	98	128.7 Å²	128.7	69%	0.685	79%	0.789	S	S	*	*			trans	59.8	116.4	145.2	81.4	0	0	0	0	124
19	E	30.6	Very low	31.3	Very low	177 Å²	177	130.1 Å²	130.1	83%	0.827	79%	0.789	S	S	*	*				61.5	110.6	122.9	-58.3	-172.9	173.3	0	0	122.4
20	K	29.9	Very low	31.6	Very low	188 Å²	188	134.5 Å²	134.5	82%	0.817	80%	0.796	S	S	*	*				176.4	124.7	101.2	-100.3	173.5	-179.9	172.3	0	112.8
21	S	31	Very low	31.8	Very low	117 Å²	117	131 Å²	131	82%	0.818	79%	0.79	S	S	*	*			trans	38.1	115.3	137.2	-45.7	0	0	0	0	121
22	S	29.6	Very low	32.2	Very low	120 Å²	120	128.9 Å²	128.9	84%	0.839	78%	0.775	S	S	*	*				-163.6	128.2	121.1	-171.1	0	0	0	0	111
23	S	31.8	Very low	32.3	Very low	115 Å²	115	125.7 Å²	125.7	80%	0.804	77%	0.765	S	S	*	*			trans	-75.1	138.3	-176.8	-17.5	0	0	0	0	111.9
24	S	32.6	Very low	32.7	Very low	116 Å²	116	126.6 Å²	126.6	81%	0.811	76%	0.759	S	S	*	*			trans	-153.6	104.3	144.9	58	0	0	0	0	108.6
25	E	37.4	Very low	33.4	Very low	193 Å²	193	129.2 Å²	129.2	90%	0.902	76%	0.758	S	S	*	*			trans	-56.9	132.7	172.3	-68.5	176	126.6	0	0	110.6
26	S	34.7	Very low	34	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	77%	0.766	S	S	*	*			trans	-133.8	121.2	153.6	66.3	0	0	0	0	109.6	S28	S26-S28 PolarHBondContact O-N 3.09Å; S26-S28 VanDerWaalsContact O-N 3.09Å
27	L	39.9	Very low	34.5	Very low	180 Å²	180	136.1 Å²	136.1	94%	0.942	76%	0.762	S	S	*	*			trans	-68.8	93.9	-176.4	-67	157.3	0	0	0	109.8
28	S	37.7	Very low	35	Very low	89 Å²	89	135.6 Å²	135.6	62%	0.622	76%	0.764	S	S	*	*			trans	-149.6	-4.1	168.2	57.1	0	0	0	0	116.9	S26	S26-S28 PolarHBondContact O-N 3.09Å; S26-S28 VanDerWaalsContact O-N 3.09Å
29	D	34.7	Very low	36	Very low	128 Å²	128	134 Å²	134	68%	0.684	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	4.1	-175.3	-89.3	-34.3	0	0	0	116.4	S32	D29-S32 PolarHBondContact O-OG 3.46Å
30	K	33.7	Very low	36.4	Very low	191 Å²	191	131.1 Å²	131.1	83%	0.83	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-15.6	-179.8	-100.8	-176.9	177.5	177.2	0	114.8
31	A	35.8	Very low	37	Very low	82 Å²	82	126.7 Å²	126.7	68%	0.678	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-20.2	-179.5	0	0	0	0	0	113.3
32	S	35.1	Very low	38.1	Very low	76 Å²	76	126.8 Å²	126.8	53%	0.531	73%	0.729	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.9	-14.7	-175	40.6	0	0	0	0	113.4	D29	D29-S32 PolarHBondContact O-OG 3.46Å
33	S	32.2	Very low	39.8	Very low	89 Å²	89	126.7 Å²	126.7	62%	0.622	72%	0.723	S	S	*	*	S	Bend	trans	-91.4	-10.7	-179.6	75.3	0	0	0	0	115.2
34	E	36.5	Very low	42.3	Very low	167 Å²	167	123.7 Å²	123.7	78%	0.78	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-12.9	178.2	-82.3	-170	149.9	0	0	114
35	L	43.3	Very low	45	Very low	155 Å²	155	120.9 Å²	120.9	81%	0.812	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	9.8	-172	-101.3	151.4	0	0	0	115.6
36	K	40.3	Very low	47.6	Very low	190 Å²	190	112.2 Å²	112.2	83%	0.826	63%	0.632	S	S	*	*			trans	-122.4	63.7	171.6	-77.2	-179.9	178.6	173	0	111.5	S38	K36-S38 PolarHBondContact O-N 3.02Å
37	K	40.9	Very low	50.5	Low	161 Å²	161	110.2 Å²	110.2	70%	0.7	61%	0.613	S	S	*	*			trans	-70.8	84	155.6	-77.1	-179.7	-176.7	167.8	0	108.4	F39	K37-F39 VanDerWaalsContact C-N 3.27Å; K37-F39 HydrophobicContact CB-CD2 4.03Å; K37-F39 HydrophobicContact CB-CE2 3.8Å; K37-F39 HydrophobicContact CD-CE2 4.15Å; K37-F39 HydrophobicContact CD-CZ 4.41Å; K37-F39 WeakPolarHBondContact O-CD2 3.47Å; K37-F39 PolarHBondContact O-N 3.14Å
38	S	38.7	Very low	53.2	Low	112 Å²	112	107.9 Å²	107.9	78%	0.783	60%	0.595	S	S	*	*			trans	-61.3	92.1	160.2	162.7	0	0	0	0	107.7	K36 D40	K36-S38 PolarHBondContact O-N 3.02Å; S38-D40 PolarHBondContact O-N 3.34Å; S38-D40 VanDerWaalsContact O-N 3.14Å
39	F	49.5	Very low	56	Low	64 Å²	64	103.9 Å²	103.9	28%	0.281	57%	0.566	S	S	.	*			trans	-71.4	103	168.2	-81.2	-89.6	0	0	0	107.8	K37 A41 K48	K37-F39 VanDerWaalsContact C-N 3.27Å; K37-F39 HydrophobicContact CB-CD2 4.03Å; K37-F39 HydrophobicContact CB-CE2 3.8Å; K37-F39 HydrophobicContact CD-CE2 4.15Å; K37-F39 HydrophobicContact CD-CZ 4.41Å; K37-F39 WeakPolarHBondContact O-CD2 3.47Å; K37-F39 PolarHBondContact O-N 3.14Å; F39-A41 PolarHBondContact O-N 2.91Å; F39-K48 HydrophobicContact CE1-CB 4.12Å; F39-K48 HydrophobicContact CE1-CD 4.03Å; F39-K48 HydrophobicContact CZ-CB 4.16Å
40	D	40	Very low	59	Low	117 Å²	117	100.9 Å²	100.9	63%	0.626	55%	0.553	S	S	*	*			trans	-58.9	131.8	172.5	-167.9	8	0	0	0	109.7	S38 V42	S38-D40 PolarHBondContact O-N 3.34Å; S38-D40 VanDerWaalsContact O-N 3.14Å; D40-V42 PolarHBondContact O-N 2.94Å
41	A	42.7	Very low	62.1	Low	95 Å²	95	92.9 Å²	92.9	79%	0.785	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	1.2	-166.4	0	0	0	0	0	114.1	F39	F39-A41 PolarHBondContact O-N 2.91Å
42	V	53.6	Low	65.1	Low	119 Å²	119	94.4 Å²	94.4	72%	0.721	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-26.3	-173.5	-173.7	0	0	0	0	112.6	D40	D40-V42 PolarHBondContact O-N 2.94Å
43	V	65.6	Low	68.1	Low	118 Å²	118	94 Å²	94	72%	0.715	50%	0.503	S	S	*	.			trans	-147.7	102.5	173.8	-172.5	0	0	0	0	110.9	D45	V43-D45 PolarHBondContact O-N 3.39Å
44	F	84.2	Confident	71.2	Confident	52 Å²	52	89.7 Å²	89.7	23%	0.228	47%	0.473	C	S	.	.			trans	-76.1	116.3	169.9	-172.1	-85.4	0	0	0	109.6	V46 V49 Y260	F44-V46 HydrophobicContact CD1-CG1 4.14Å; F44-V46 HydrophobicContact CE1-CG1 4.32Å; F44-V49 HydrophobicContact CE1-CG2 4.15Å; F44-V49 HydrophobicContact CZ-CG2 3.67Å; F44-Y260 HydrophobicContact CB-CD2 3.69Å; F44-Y260 HydrophobicContact CB-CE2 4.08Å; F44-Y260 HydrophobicContact CB-CG 4.39Å; F44-Y260 AromaticContact CD1-CD1 3.68Å; F44-Y260 HydrophobicContact CD1-CD1 3.68Å; F44-Y260 AromaticContact CD1-CD2 3.33Å; F44-Y260 HydrophobicContact CD1-CD2 3.33Å; F44-Y260 AromaticContact CD1-CE1 3.78Å; F44-Y260 HydrophobicContact CD1-CE1 3.78Å; F44-Y260 AromaticContact CD1-CE2 3.45Å; F44-Y260 HydrophobicContact CD1-CE2 3.45Å; F44-Y260 VanDerWaalsContact CD1-CE2 3.45Å; F44-Y260 AromaticContact CD1-CG 3.45Å; F44-Y260 HydrophobicContact CD1-CG 3.45Å; F44-Y260 VanDerWaalsContact CD1-CG 3.45Å; F44-Y260 AromaticContact CD1-CZ 3.68Å; F44-Y260 HydrophobicContact CD2-CD1 4.5Å; F44-Y260 AromaticContact CD2-CD2 3.95Å; F44-Y260 HydrophobicContact CD2-CD2 3.95Å; F44-Y260 AromaticContact CD2-CG 3.76Å; F44-Y260 HydrophobicContact CD2-CG 3.76Å; F44-Y260 AromaticContact CE1-CD1 3.22Å; F44-Y260 HydrophobicContact CE1-CD1 3.22Å; F44-Y260 AromaticContact CE1-CD2 3.83Å; F44-Y260 HydrophobicContact CE1-CD2 3.83Å; F44-Y260 AromaticContact CE1-CE1 3.45Å; F44-Y260 HydrophobicContact CE1-CE1 3.45Å; F44-Y260 VanDerWaalsContact CE1-CE1 3.45Å; F44-Y260 HydrophobicContact CE1-CE2 4.03Å; F44-Y260 AromaticContact CE1-CG 3.42Å; F44-Y260 HydrophobicContact CE1-CG 3.42Å; F44-Y260 VanDerWaalsContact CE1-CG 3.42Å; F44-Y260 AromaticContact CE1-CZ 3.86Å; F44-Y260 VanDerWaalsContact CE2-CB 3.48Å; F44-Y260 HydrophobicContact CE2-CD1 4.13Å; F44-Y260 HydrophobicContact CE2-CD2 4.37Å; F44-Y260 AromaticContact CE2-CG 3.73Å; F44-Y260 HydrophobicContact CE2-CG 3.73Å; F44-Y260 HydrophobicContact CG-CD1 4.28Å; F44-Y260 AromaticContact CG-CD2 3.38Å; F44-Y260 HydrophobicContact CG-CD2 3.38Å; F44-Y260 AromaticContact CG-CE2 3.9Å; F44-Y260 HydrophobicContact CG-CE2 3.9Å; F44-Y260 AromaticContact CG-CG 3.6Å; F44-Y260 HydrophobicContact CG-CG 3.6Å; F44-Y260 AromaticContact CZ-CD1 3.45Å; F44-Y260 HydrophobicContact CZ-CD1 3.45Å; F44-Y260 VanDerWaalsContact CZ-CD1 3.45Å; F44-Y260 HydrophobicContact CZ-CD2 4.3Å; F44-Y260 HydrophobicContact CZ-CE1 4.15Å; F44-Y260 AromaticContact CZ-CG 3.54Å; F44-Y260 HydrophobicContact CZ-CG 3.54Å
45	D	88.9	Confident	74.2	Confident	56 Å²	56	81.8 Å²	81.8	30%	0.299	44%	0.436	S	S	.	.			trans	-90.3	107.2	177.6	-178	-5	0	0	0	110.3	V43 L47 K48	V43-D45 PolarHBondContact O-N 3.39Å; D45-L47 PolarHBondContact O-N 3.19Å; D45-L47 PolarHBondContact OD1-N 3.42Å; D45-K48 HydrophobicContact CB-CB 4.47Å; D45-K48 HydrophobicContact CB-CD 3.97Å; D45-K48 HydrophobicContact CB-CG 4.08Å; D45-K48 PolarHBondContact O-N 2.86Å; D45-K48 VanDerWaalsContact OD2-CE 3.24Å; D45-K48 WeakPolarHBondContact OD2-CE 3.45Å; D45-K48 WeakPolarHBondContact OD2-CG 3.22Å
46	V	92.6	Very high	76.8	Confident	12 Å²	12	74.5 Å²	74.5	7%	0.073	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-61.8	-25.7	-176.5	-63.3	0	0	0	0	113.8	F44 K48 Y54 E108 V121 L124 Y260	F44-V46 HydrophobicContact CD1-CG1 4.14Å; F44-V46 HydrophobicContact CE1-CG1 4.32Å; V46-K48 VanDerWaalsContact C-N 3.34Å; V46-Y54 WeakPolarHBondContact CA-OH 3.24Å; V46-Y54 WeakPolarHBondContact CB-OH 2.98Å; V46-Y54 WeakPolarHBondContact O-CE2 3.3Å; V46-Y54 PolarHBondContact O-OH 3.18Å; V46-E108 HydrophobicContact CG1-CG 4.31Å; V46-E108 WeakPolarHBondContact CG1-OE2 3.4Å; V46-V121 HydrophobicContact CG2-CG2 3.93Å; V46-L124 VanDerWaalsContact O-CD2 3.3Å; V46-L124 WeakPolarHBondContact O-CD2 3.26Å; V46-Y260 HydrophobicContact CG1-CE1 4.21Å; V46-Y260 HydrophobicContact CG1-CE2 4.46Å; V46-Y260 WeakPolarHBondContact CG1-OH 3.3Å
47	L	95.2	Very high	79.6	Confident	62 Å²	62	65.5 Å²	65.5	33%	0.325	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-80.3	-14.9	-177.7	-64.9	177.7	0	0	0	113	D45 V49 I117 E120 V121 L124	D45-L47 PolarHBondContact O-N 3.19Å; D45-L47 PolarHBondContact OD1-N 3.42Å; L47-V49 VanDerWaalsContact C-N 3.32Å; L47-I117 HydrophobicContact CD1-CG2 4.18Å; L47-E120 HydrophobicContact CD1-CB 4.3Å; L47-E120 HydrophobicContact CD2-CB 4.15Å; L47-V121 HydrophobicContact CD2-CG2 3.77Å; L47-V121 HydrophobicContact CG-CG2 4.18Å; L47-L124 HydrophobicContact CD2-CB 4.47Å; L47-L124 HydrophobicContact CD2-CD2 4.01Å
48	K	95.3	Very high	82.4	Confident	131 Å²	131	58 Å²	58	57%	0.57	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-80.6	-13	177.4	-73.2	-178	-175.4	172	0	113.9	F39 D45 V46	F39-K48 HydrophobicContact CE1-CB 4.12Å; F39-K48 HydrophobicContact CE1-CD 4.03Å; F39-K48 HydrophobicContact CZ-CB 4.16Å; D45-K48 HydrophobicContact CB-CB 4.47Å; D45-K48 HydrophobicContact CB-CD 3.97Å; D45-K48 HydrophobicContact CB-CG 4.08Å; D45-K48 PolarHBondContact O-N 2.86Å; D45-K48 VanDerWaalsContact OD2-CE 3.24Å; D45-K48 WeakPolarHBondContact OD2-CE 3.45Å; D45-K48 WeakPolarHBondContact OD2-CG 3.22Å; V46-K48 VanDerWaalsContact C-N 3.34Å
49	V	96.9	Very high	85.2	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.024	29%	0.29	C	S	.	.	S	Bend	trans	-96.8	132.3	176.4	178	0	0	0	0	108.9	F44 L47 E53 Y54 I257	F44-V49 HydrophobicContact CE1-CG2 4.15Å; F44-V49 HydrophobicContact CZ-CG2 3.67Å; L47-V49 VanDerWaalsContact C-N 3.32Å; V49-E53 HydrophobicContact CG1-CB 3.84Å; V49-Y54 HydrophobicContact CB-CD2 4.06Å; V49-Y54 HydrophobicContact CB-CE1 4.27Å; V49-Y54 HydrophobicContact CB-CE2 3.44Å; V49-Y54 VanDerWaalsContact CB-CE2 3.44Å; V49-Y54 HydrophobicContact CG1-CD1 4.05Å; V49-Y54 HydrophobicContact CG1-CD2 3.6Å; V49-Y54 HydrophobicContact CG1-CE1 3.95Å; V49-Y54 HydrophobicContact CG1-CE2 3.49Å; V49-Y54 VanDerWaalsContact CG1-CE2 3.49Å; V49-Y54 HydrophobicContact CG1-CG 3.88Å; V49-I257 HydrophobicContact CG1-CD1 3.51Å; V49-I257 HydrophobicContact CG1-CG1 4.06Å; V49-I257 HydrophobicContact CG2-CD1 4.27Å; V49-I257 HydrophobicContact CG2-CG1 4.1Å
50	T	98.1	Very high	87.6	Confident	66 Å²	66	51.3 Å²	51.3	41%	0.405	29%	0.285	S	S	.	.			trans	-73.4	154.8	-177.6	66.9	0	0	0	0	111.6	E52 E53 Y54	T50-E52 PolarHBondContact O-N 3.4Å; T50-E52 VanDerWaalsContact O-N 3.17Å; T50-E53 WeakPolarHBondContact CB-OE2 3.25Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.39Å; T50-E53 PolarHBondContact N-OE2 3.02Å; T50-E53 PolarHBondContact O-N 3.35Å; T50-E53 WeakPolarHBondContact OG1-CB 3.48Å; T50-E53 VanDerWaalsContact OG1-CD 3.25Å; T50-E53 WeakPolarHBondContact OG1-CG 3.32Å; T50-E53 PolarHBondContact OG1-N 2.61Å; T50-E53 PolarHBondContact OG1-OE2 3.48Å; T50-Y54 WeakPolarHBondContact O-CD2 3.33Å; T50-Y54 PolarHBondContact O-N 3.28Å; T50-Y54 VanDerWaalsContact O-N 3.11Å
51	P	98.5	Very high	90.3	Very high	23 Å²	23	46.6 Å²	46.6	15%	0.149	26%	0.26	C	S	.	.	H	α-helix	trans	-55.8	-32.2	174.7	-18.9	23.8	0	0	0	113.8	A55 L124 R127 K131	P51-A55 VanDerWaalsContact O-CB 3.31Å; P51-A55 WeakPolarHBondContact O-CB 3.08Å; P51-A55 PolarHBondContact O-N 3.03Å; P51-L124 HydrophobicContact CB-CD1 4.45Å; P51-L124 HydrophobicContact CG-CD1 3.85Å; P51-R127 HydrophobicContact CB-CB 3.92Å; P51-R127 HydrophobicContact CG-CB 3.76Å; P51-K131 HydrophobicContact CB-CG 4.31Å
52	E	98.4	Very high	93	Very high	114 Å²	114	42 Å²	42	53%	0.533	22%	0.222	S	C	.	.	H	α-helix	trans	-74.6	-41.1	-179.1	-175.2	160.4	170.8	0	0	112	T50 A55 G56 K131	T50-E52 PolarHBondContact O-N 3.4Å; T50-E52 VanDerWaalsContact O-N 3.17Å; E52-A55 PolarHBondContact O-N 3.03Å; E52-G56 PolarHBondContact O-N 3.48Å; E52-K131 HydrophobicContact CB-CD 4.3Å; E52-K131 HydrophobicContact CB-CG 4.38Å; E52-K131 HydrophobicContact CG-CD 4.48Å; E52-K131 WeakPolarHBondContact OE2-CE 3.44Å; E52-K131 IonicContact OE2-NZ 2.71Å; E52-K131 PolarHBondContact OE2-NZ 3.11Å
53	E	98.4	Very high	95.1	Very high	66 Å²	66	37 Å²	37	31%	0.308	19%	0.193	S	C	.	.	H	α-helix	trans	-63.8	-42.8	173.8	-69.9	164.8	134.3	0	0	111.4	V49 T50 G56 Q57 L254 I257	V49-E53 HydrophobicContact CG1-CB 3.84Å; T50-E53 WeakPolarHBondContact CB-OE2 3.25Å; T50-E53 WeakPolarHBondContact CG2-OE2 3.39Å; T50-E53 PolarHBondContact N-OE2 3.02Å; T50-E53 PolarHBondContact O-N 3.35Å; T50-E53 WeakPolarHBondContact OG1-CB 3.48Å; T50-E53 VanDerWaalsContact OG1-CD 3.25Å; T50-E53 WeakPolarHBondContact OG1-CG 3.32Å; T50-E53 PolarHBondContact OG1-N 2.61Å; T50-E53 PolarHBondContact OG1-OE2 3.48Å; E53-G56 PolarHBondContact O-N 2.96Å; E53-Q57 WeakPolarHBondContact O-CG 3.49Å; E53-Q57 PolarHBondContact O-N 3.29Å; E53-L254 HydrophobicContact CB-CD1 3.94Å; E53-L254 HydrophobicContact CG-CD1 3.69Å; E53-I257 HydrophobicContact CB-CD1 3.76Å
54	Y	98.6	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.8	-50.4	172.9	-81.2	-60	0	0	0	111.9	V46 V49 T50 G56 Q57 I58 W104 L124 I257 Y260 L261	V46-Y54 WeakPolarHBondContact CA-OH 3.24Å; V46-Y54 WeakPolarHBondContact CB-OH 2.98Å; V46-Y54 WeakPolarHBondContact O-CE2 3.3Å; V46-Y54 PolarHBondContact O-OH 3.18Å; V49-Y54 HydrophobicContact CB-CD2 4.06Å; V49-Y54 HydrophobicContact CB-CE1 4.27Å; V49-Y54 HydrophobicContact CB-CE2 3.44Å; V49-Y54 VanDerWaalsContact CB-CE2 3.44Å; V49-Y54 HydrophobicContact CG1-CD1 4.05Å; V49-Y54 HydrophobicContact CG1-CD2 3.6Å; V49-Y54 HydrophobicContact CG1-CE1 3.95Å; V49-Y54 HydrophobicContact CG1-CE2 3.49Å; V49-Y54 VanDerWaalsContact CG1-CE2 3.49Å; V49-Y54 HydrophobicContact CG1-CG 3.88Å; T50-Y54 WeakPolarHBondContact O-CD2 3.33Å; T50-Y54 PolarHBondContact O-N 3.28Å; T50-Y54 VanDerWaalsContact O-N 3.11Å; Y54-G56 VanDerWaalsContact C-N 3.28Å; Y54-G56 PolarHBondContact O-N 3.17Å; Y54-Q57 PolarHBondContact O-N 3.44Å; Y54-I58 WeakPolarHBondContact O-CB 3.49Å; Y54-I58 WeakPolarHBondContact O-CD1 3.43Å; Y54-I58 VanDerWaalsContact O-CG1 3.22Å; Y54-I58 WeakPolarHBondContact O-CG1 3.4Å; Y54-I58 PolarHBondContact O-N 3.44Å; Y54-W104 AromaticContact CD1-CH2 3.7Å; Y54-W104 HydrophobicContact CD1-CH2 3.7Å; Y54-W104 AromaticContact CD1-CZ2 3.79Å; Y54-W104 HydrophobicContact CD1-CZ2 3.79Å; Y54-W104 AromaticContact CE1-CH2 3.95Å; Y54-W104 HydrophobicContact CE1-CH2 3.95Å; Y54-W104 AromaticContact CE1-CZ2 3.53Å; Y54-W104 HydrophobicContact CE1-CZ2 3.53Å; Y54-W104 HydrophobicContact CG-CH2 4.07Å; Y54-W104 HydrophobicContact CG-CZ2 4.47Å; Y54-L124 HydrophobicContact CD2-CD1 4.45Å; Y54-L124 HydrophobicContact CE2-CD1 4.46Å; Y54-L124 HydrophobicContact CE2-CD2 3.94Å; Y54-L124 HydrophobicContact CE2-CG 4.49Å; Y54-I257 HydrophobicContact CD1-CG2 4.15Å; Y54-I257 HydrophobicContact CE1-CG2 4.33Å; Y54-Y260 HydrophobicContact CE1-CE1 4.28Å; Y54-L261 HydrophobicContact CD1-CD2 4.35Å; Y54-L261 HydrophobicContact CE1-CD2 4.4Å
55	A	98.8	Very high	97.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.3	-42.1	179.9	0	0	0	0	0	111.6	P51 E52 T59 T128 K131 L132 M135	P51-A55 VanDerWaalsContact O-CB 3.31Å; P51-A55 WeakPolarHBondContact O-CB 3.08Å; P51-A55 PolarHBondContact O-N 3.03Å; E52-A55 PolarHBondContact O-N 3.03Å; A55-T59 VanDerWaalsContact O-CB 3.27Å; A55-T59 WeakPolarHBondContact O-CB 3.36Å; A55-T59 PolarHBondContact O-N 3.27Å; A55-T59 PolarHBondContact O-OG1 3.45Å; A55-T128 HydrophobicContact CB-CG2 4.42Å; A55-K131 HydrophobicContact CB-CB 3.56Å; A55-L132 HydrophobicContact CB-CD2 3.83Å; A55-L132 HydrophobicContact CB-CG 3.79Å; A55-L132 WeakPolarHBondContact O-CD2 3.4Å; A55-M135 HydrophobicContact CB-SD 3.82Å
56	G	98.5	Very high	97.8	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-58.1	-54	175.2	0	0	0	0	0	112.6	E52 E53 Y54 T59 L60	E52-G56 PolarHBondContact O-N 3.48Å; E53-G56 PolarHBondContact O-N 2.96Å; Y54-G56 VanDerWaalsContact C-N 3.28Å; Y54-G56 PolarHBondContact O-N 3.17Å; G56-T59 PolarHBondContact O-N 2.84Å; G56-L60 WeakPolarHBondContact O-CG 3.47Å; G56-L60 PolarHBondContact O-N 3.36Å
57	Q	98.6	Very high	98	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	18%	0.183	C	C	.	.	H	α-helix	trans	-69.1	-38.4	-177.6	-62.2	-41.9	-63.6	0	0	113	E53 Y54 T59 L60 M61 P252 L254 I257 Q258 L261	E53-Q57 WeakPolarHBondContact O-CG 3.49Å; E53-Q57 PolarHBondContact O-N 3.29Å; Y54-Q57 PolarHBondContact O-N 3.44Å; Q57-T59 VanDerWaalsContact C-N 3.31Å; Q57-T59 PolarHBondContact O-N 3.35Å; Q57-L60 PolarHBondContact O-N 3.22Å; Q57-M61 WeakPolarHBondContact O-CG 3.42Å; Q57-M61 PolarHBondContact O-N 2.93Å; Q57-P252 PolarHBondContact NE2-O 3.42Å; Q57-L254 VanDerWaalsContact CD-N 3.31Å; Q57-L254 HydrophobicContact CG-CB 3.99Å; Q57-I257 HydrophobicContact CB-CG2 3.87Å; Q57-I257 HydrophobicContact CG-CB 3.91Å; Q57-I257 HydrophobicContact CG-CD1 4.26Å; Q57-I257 HydrophobicContact CG-CG2 3.72Å; Q57-Q258 HydrophobicContact CB-CG 4.12Å; Q57-Q258 HydrophobicContact CG-CG 4.31Å; Q57-L261 HydrophobicContact CB-CD1 4.25Å
58	I	98.6	Very high	98.2	Very high	2 Å²	2	34 Å²	34	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-45.6	174.2	-69.2	166.5	0	0	0	109.9	Y54 M61 D62 R97 W104 T128 L132 A140 L261	Y54-I58 WeakPolarHBondContact O-CB 3.49Å; Y54-I58 WeakPolarHBondContact O-CD1 3.43Å; Y54-I58 VanDerWaalsContact O-CG1 3.22Å; Y54-I58 WeakPolarHBondContact O-CG1 3.4Å; Y54-I58 PolarHBondContact O-N 3.44Å; I58-M61 PolarHBondContact O-N 2.7Å; I58-D62 WeakPolarHBondContact CG2-OD2 3.41Å; I58-D62 PolarHBondContact O-N 3.2Å; I58-R97 PolarHBondContact O-NH2 3.33Å; I58-W104 HydrophobicContact CD1-CH2 4.24Å; I58-W104 HydrophobicContact CD1-CZ3 3.74Å; I58-T128 HydrophobicContact CD1-CG2 4.49Å; I58-L132 HydrophobicContact CB-CD2 4.24Å; I58-L132 HydrophobicContact CG2-CD2 4.11Å; I58-A140 HydrophobicContact CG2-CB 3.63Å; I58-L261 HydrophobicContact CG1-CD1 3.9Å
59	T	98.6	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-44.5	178.2	-57.4	0	0	0	0	112.6	A55 G56 Q57 M61 D62 A63 M135 N137 I200 Y249 I251	A55-T59 VanDerWaalsContact O-CB 3.27Å; A55-T59 WeakPolarHBondContact O-CB 3.36Å; A55-T59 PolarHBondContact O-N 3.27Å; A55-T59 PolarHBondContact O-OG1 3.45Å; G56-T59 PolarHBondContact O-N 2.84Å; Q57-T59 VanDerWaalsContact C-N 3.31Å; Q57-T59 PolarHBondContact O-N 3.35Å; T59-M61 PolarHBondContact O-N 3.42Å; T59-D62 PolarHBondContact O-N 3.25Å; T59-A63 WeakPolarHBondContact O-CB 3.36Å; T59-A63 PolarHBondContact O-N 3.37Å; T59-M135 HydrophobicContact CG2-CE 4.09Å; T59-N137 VanDerWaalsContact CA-ND2 3.34Å; T59-N137 WeakPolarHBondContact CA-ND2 3.41Å; T59-N137 HydrophobicContact CG2-CB 4.22Å; T59-N137 PolarHBondContact OG1-ND2 2.95Å; T59-I200 HydrophobicContact CG2-CD1 3.99Å; T59-Y249 HydrophobicContact CG2-CD1 3.76Å; T59-Y249 HydrophobicContact CG2-CD2 3.7Å; T59-Y249 HydrophobicContact CG2-CE1 3.63Å; T59-Y249 HydrophobicContact CG2-CE2 3.56Å; T59-Y249 HydrophobicContact CG2-CG 3.8Å; T59-I251 HydrophobicContact CG2-CD1 4.29Å
60	L	98.4	Very high	98.4	Very high	36 Å²	36	32.6 Å²	32.6	19%	0.188	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-31.1	175.6	-76	176.1	0	0	0	113.1	G56 Q57 P64 I251 V253	G56-L60 WeakPolarHBondContact O-CG 3.47Å; G56-L60 PolarHBondContact O-N 3.36Å; Q57-L60 PolarHBondContact O-N 3.22Å; L60-P64 WeakPolarHBondContact O-CD 3.38Å; L60-I251 HydrophobicContact CD1-CB 3.92Å; L60-I251 HydrophobicContact CD1-CG2 3.82Å; L60-I251 HydrophobicContact CD2-CB 4.06Å; L60-I251 HydrophobicContact CD2-CD1 4.27Å; L60-I251 HydrophobicContact CG-CB 3.99Å; L60-I251 HydrophobicContact CG-CD1 4.11Å; L60-I251 HydrophobicContact CG-CG2 4.21Å; L60-V253 HydrophobicContact CD1-CG2 4.01Å
61	M	98.1	Very high	98.3	Very high	18 Å²	18	32.3 Å²	32.3	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-84.6	-28.6	177.7	-62.6	166.9	78.3	0	0	112.7	Q57 I58 T59 R97 Q258 L261 N262	Q57-M61 WeakPolarHBondContact O-CG 3.42Å; Q57-M61 PolarHBondContact O-N 2.93Å; I58-M61 PolarHBondContact O-N 2.7Å; T59-M61 PolarHBondContact O-N 3.42Å; M61-R97 VanDerWaalsContact C-CZ 3.42Å; M61-R97 VanDerWaalsContact CB-NH1 3.33Å; M61-R97 PolarHBondContact O-NE 3.14Å; M61-Q258 HydrophobicContact CG-CG 4.16Å; M61-Q258 HydrophobicContact SD-CB 4.31Å; M61-Q258 HydrophobicContact SD-CG 4.05Å; M61-L261 HydrophobicContact CE-CB 4.32Å; M61-L261 HydrophobicContact SD-CB 4.26Å; M61-L261 HydrophobicContact SD-CD1 3.97Å; M61-N262 WeakPolarHBondContact CE-OD1 3.3Å
62	D	98.6	Very high	98.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-75.2	-44.7	176.8	-70.4	-26.3	0	0	0	112.3	I58 T59 V65 F66 F94 R97 N137 I200	I58-D62 WeakPolarHBondContact CG2-OD2 3.41Å; I58-D62 PolarHBondContact O-N 3.2Å; T59-D62 PolarHBondContact O-N 3.25Å; D62-V65 PolarHBondContact O-N 2.74Å; D62-V65 VanDerWaalsContact O-N 3.15Å; D62-F66 PolarHBondContact O-N 2.91Å; D62-F94 HydrophobicContact CB-CE2 4.24Å; D62-R97 IonicContact OD1-CZ 3.68Å; D62-R97 IonicContact OD1-NE 3.09Å; D62-R97 PolarHBondContact OD1-NE 3.2Å; D62-R97 IonicContact OD1-NH2 2.65Å; D62-R97 PolarHBondContact OD1-NH2 3Å; D62-N137 PolarHBondContact OD2-ND2 2.96Å; D62-I200 HydrophobicContact CB-CD1 3.83Å
63	A	98.1	Very high	98.1	Very high	12 Å²	12	32.1 Å²	32.1	10%	0.099	18%	0.176	C	C	.	.	H	α-helix	trans	-51.7	-50.8	-174.8	0	0	0	0	0	114.4	T59 V65 F66 K67 I200 Y249	T59-A63 WeakPolarHBondContact O-CB 3.36Å; T59-A63 PolarHBondContact O-N 3.37Å; A63-V65 VanDerWaalsContact C-N 3.3Å; A63-V65 PolarHBondContact O-N 2.82Å; A63-F66 PolarHBondContact O-N 3.46Å; A63-K67 WeakPolarHBondContact O-CB 3.24Å; A63-K67 VanDerWaalsContact O-CG 3.31Å; A63-K67 WeakPolarHBondContact O-CG 3.36Å; A63-K67 PolarHBondContact O-N 2.85Å; A63-I200 HydrophobicContact CB-CD1 3.98Å; A63-Y249 HydrophobicContact CB-CD2 4.15Å; A63-Y249 HydrophobicContact CB-CE2 4.42Å
64	P	98.1	Very high	98	Very high	77 Å²	77	29.1 Å²	29.1	50%	0.5	16%	0.162	S	C	.	.	H	α-helix	trans	-64.7	-34.4	-179.1	24.6	-34.3	0	0	0	112.5	L60 A68	L60-P64 WeakPolarHBondContact O-CD 3.38Å; P64-A68 WeakPolarHBondContact O-CB 3.07Å; P64-A68 PolarHBondContact O-N 3.17Å
65	V	98.4	Very high	97.7	Very high	32 Å²	32	31 Å²	31	19%	0.194	18%	0.175	C	C	.	.	H	α-helix	trans	-71.9	-40.6	178.5	-175.2	0	0	0	0	110.8	D62 A63 A68 A93 F94	D62-V65 PolarHBondContact O-N 2.74Å; D62-V65 VanDerWaalsContact O-N 3.15Å; A63-V65 VanDerWaalsContact C-N 3.3Å; A63-V65 PolarHBondContact O-N 2.82Å; V65-A68 PolarHBondContact O-N 3.41Å; V65-A93 HydrophobicContact CG1-CB 3.83Å; V65-F94 HydrophobicContact CB-CD2 4.11Å; V65-F94 HydrophobicContact CG1-CB 3.92Å; V65-F94 HydrophobicContact CG1-CD2 3.95Å; V65-F94 HydrophobicContact CG1-CG 4.43Å
66	F	98.6	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-45.2	173.7	173	-121.3	0	0	0	112	D62 A63 A68 I69 F94 I200 P201 I240 L243 Q244 C247	D62-F66 PolarHBondContact O-N 2.91Å; A63-F66 PolarHBondContact O-N 3.46Å; F66-A68 PolarHBondContact O-N 3.14Å; F66-I69 HydrophobicContact CD2-CD1 4.26Å; F66-I69 PolarHBondContact O-N 3.4Å; F66-F94 HydrophobicContact CB-CD2 4.27Å; F66-F94 HydrophobicContact CB-CE1 4.5Å; F66-F94 HydrophobicContact CB-CE2 3.72Å; F66-F94 HydrophobicContact CB-CZ 3.85Å; F66-F94 HydrophobicContact CD2-CE1 4.2Å; F66-F94 HydrophobicContact CD2-CZ 4.26Å; F66-F94 HydrophobicContact CG-CZ 4.34Å; F66-I200 HydrophobicContact CB-CG2 4.25Å; F66-I200 HydrophobicContact CD1-CG2 4.37Å; F66-I200 HydrophobicContact CG-CG2 4.21Å; F66-P201 HydrophobicContact CE1-CG 4.48Å; F66-P201 HydrophobicContact CE2-CG 3.68Å; F66-P201 HydrophobicContact CZ-CG 3.65Å; F66-I240 HydrophobicContact CE2-CG2 4.17Å; F66-I240 HydrophobicContact CZ-CG2 4.41Å; F66-L243 HydrophobicContact CE1-CB 4.32Å; F66-L243 HydrophobicContact CZ-CB 4Å; F66-Q244 HydrophobicContact CD1-CG 4.17Å; F66-Q244 HydrophobicContact CE1-CB 4.3Å; F66-Q244 HydrophobicContact CE1-CG 3.64Å; F66-Q244 HydrophobicContact CE2-CG 4.09Å; F66-Q244 HydrophobicContact CZ-CG 3.58Å; F66-Q244 PolarHBondContact O-NE2 3.43Å; F66-C247 HydrophobicContact CD1-CB 4.37Å; F66-C247 HydrophobicContact CE1-CB 4.34Å
67	K	98.1	Very high	97	Very high	97 Å²	97	33.2 Å²	33.2	42%	0.422	19%	0.19	S	C	.	.	H	α-helix	trans	-69	-21.7	179.4	-68.5	178.4	77.1	161.5	0	113.5	A63 I69 C247	A63-K67 WeakPolarHBondContact O-CB 3.24Å; A63-K67 VanDerWaalsContact O-CG 3.31Å; A63-K67 WeakPolarHBondContact O-CG 3.36Å; A63-K67 PolarHBondContact O-N 2.85Å; K67-I69 VanDerWaalsContact C-N 3.34Å; K67-C247 HydrophobicContact CD-CB 4.18Å; K67-C247 HydrophobicContact CG-CB 4.23Å; K67-C247 PolarHBondContact NZ-O 2.91Å
68	A	98.4	Very high	96.7	Very high	33 Å²	33	33.1 Å²	33.1	27%	0.273	19%	0.19	S	C	.	.	H	α-helix	trans	-77.4	-18	178	0	0	0	0	0	113.5	P64 V65 F66 Q70 N90	P64-A68 WeakPolarHBondContact O-CB 3.07Å; P64-A68 PolarHBondContact O-N 3.17Å; V65-A68 PolarHBondContact O-N 3.41Å; F66-A68 PolarHBondContact O-N 3.14Å; A68-Q70 PolarHBondContact O-N 3.01Å; A68-Q70 PolarHBondContact O-NE2 2.88Å; A68-N90 HydrophobicContact CB-CB 4.4Å; A68-N90 PolarHBondContact O-ND2 3.26Å; A68-N90 VanDerWaalsContact O-ND2 3.11Å
69	I	98.6	Very high	96.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	19%	0.193	C	C	.	.			trans	-62.3	121.9	-178.8	-62.5	171.2	0	0	0	110.4	F66 K67 L74 N90 V91 F94 L203 Q244	F66-I69 HydrophobicContact CD2-CD1 4.26Å; F66-I69 PolarHBondContact O-N 3.4Å; K67-I69 VanDerWaalsContact C-N 3.34Å; I69-L74 HydrophobicContact CG2-CD1 3.83Å; I69-L74 HydrophobicContact CG2-CD2 4.06Å; I69-L74 HydrophobicContact CG2-CG 3.79Å; I69-N90 HydrophobicContact CB-CB 4.4Å; I69-N90 HydrophobicContact CG1-CB 3.85Å; I69-V91 HydrophobicContact CG2-CG2 3.8Å; I69-F94 HydrophobicContact CD1-CB 4.1Å; I69-F94 HydrophobicContact CD1-CD1 4.13Å; I69-F94 HydrophobicContact CD1-CG 4.21Å; I69-L203 HydrophobicContact CD1-CD2 3.56Å; I69-Q244 PolarHBondContact O-NE2 2.9Å
70	Q	97.6	Very high	95.6	Very high	102 Å²	102	36.8 Å²	36.8	48%	0.477	21%	0.208	S	C	.	.			trans	-91	150.9	179	-58.1	-56.2	-48.5	0	0	112.3	A68 D72 E73	A68-Q70 PolarHBondContact O-N 3.01Å; A68-Q70 PolarHBondContact O-NE2 2.88Å; Q70-D72 VanDerWaalsContact C-N 3.26Å; Q70-D72 PolarHBondContact O-N 3.25Å; Q70-E73 HydrophobicContact CB-CG 4.15Å; Q70-E73 PolarHBondContact N-OE1 3.48Å; Q70-E73 WeakPolarHBondContact O-CB 3.19Å; Q70-E73 PolarHBondContact O-N 3.36Å
71	P	96.9	Very high	95	Very high	60 Å²	60	40.5 Å²	40.5	39%	0.39	22%	0.223	S	C	.	.	H	α-helix	trans	-56.2	-36.5	176.5	-26.7	35.5	0	0	0	114.1	E73 L74 S75 L237	P71-E73 VanDerWaalsContact C-N 3.32Å; P71-E73 PolarHBondContact O-N 3.27Å; P71-L74 WeakPolarHBondContact O-CB 3.35Å; P71-L74 PolarHBondContact O-N 2.97Å; P71-L74 VanDerWaalsContact O-N 3.09Å; P71-S75 PolarHBondContact O-N 3.48Å; P71-S75 PolarHBondContact O-OG 2.79Å; P71-L237 HydrophobicContact CB-CD1 4.23Å; P71-L237 HydrophobicContact CB-CD2 4.43Å
72	D	95.4	Very high	94.6	Very high	123 Å²	123	48.4 Å²	48.4	66%	0.658	26%	0.257	S	S	*	.	H	α-helix	trans	-68.6	-31.1	-179.3	-65.1	-22.9	0	0	0	113	Q70 L74 S75 S76	Q70-D72 VanDerWaalsContact C-N 3.26Å; Q70-D72 PolarHBondContact O-N 3.25Å; D72-L74 PolarHBondContact O-N 2.98Å; D72-S75 WeakPolarHBondContact CA-OG 3.35Å; D72-S75 PolarHBondContact O-OG 3.43Å; D72-S76 WeakPolarHBondContact O-CB 3.46Å; D72-S76 PolarHBondContact O-N 3.23Å; D72-S76 VanDerWaalsContact O-N 3.15Å; D72-S76 PolarHBondContact O-OG 2.84Å; D72-S76 VanDerWaalsContact O-OG 3.09Å
73	E	96.9	Very high	94.2	Very high	11 Å²	11	54 Å²	54	5%	0.051	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-34.2	172.9	-61	-178.7	-112.1	0	0	111	Q70 P71 S76 W79 A88 P89 N90 V91	Q70-E73 HydrophobicContact CB-CG 4.15Å; Q70-E73 PolarHBondContact N-OE1 3.48Å; Q70-E73 WeakPolarHBondContact O-CB 3.19Å; Q70-E73 PolarHBondContact O-N 3.36Å; P71-E73 VanDerWaalsContact C-N 3.32Å; P71-E73 PolarHBondContact O-N 3.27Å; E73-S76 PolarHBondContact O-OG 3.48Å; E73-S76 VanDerWaalsContact O-OG 3.1Å; E73-W79 WeakPolarHBondContact O-CZ3 3.35Å; E73-A88 HydrophobicContact CB-CB 4.01Å; E73-A88 WeakPolarHBondContact OE2-CA 3.3Å; E73-P89 WeakPolarHBondContact OE2-CD 3.24Å; E73-P89 VanDerWaalsContact OE2-N 3.13Å; E73-N90 WeakPolarHBondContact OE1-CB 3.42Å; E73-N90 PolarHBondContact OE1-ND2 3.46Å; E73-N90 WeakPolarHBondContact OE2-CA 3.38Å; E73-N90 WeakPolarHBondContact OE2-CB 3.39Å; E73-N90 PolarHBondContact OE2-N 3.48Å; E73-V91 HydrophobicContact CB-CG2 3.94Å; E73-V91 PolarHBondContact OE2-N 2.92Å
74	L	95.9	Very high	94	Very high	3 Å²	3	55 Å²	55	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-82	-41.4	-178.5	-67.3	172	0	0	0	112.5	I69 P71 D72 W79 V91 L207 L210 L237 I240	I69-L74 HydrophobicContact CG2-CD1 3.83Å; I69-L74 HydrophobicContact CG2-CD2 4.06Å; I69-L74 HydrophobicContact CG2-CG 3.79Å; P71-L74 WeakPolarHBondContact O-CB 3.35Å; P71-L74 PolarHBondContact O-N 2.97Å; P71-L74 VanDerWaalsContact O-N 3.09Å; D72-L74 PolarHBondContact O-N 2.98Å; L74-W79 VanDerWaalsContact O-CH2 3.22Å; L74-W79 WeakPolarHBondContact O-CH2 3.39Å; L74-W79 WeakPolarHBondContact O-CZ3 3.49Å; L74-V91 HydrophobicContact CD2-CG2 3.91Å; L74-V91 HydrophobicContact CG-CG2 4.49Å; L74-L207 HydrophobicContact CD2-CD2 3.69Å; L74-L210 HydrophobicContact CB-CD1 3.95Å; L74-L210 HydrophobicContact CD2-CD1 4.08Å; L74-L237 HydrophobicContact CB-CD2 3.33Å; L74-L237 HydrophobicContact CD1-CD2 3.66Å; L74-L237 HydrophobicContact CG-CD2 4.16Å; L74-I240 HydrophobicContact CD1-CD1 3.66Å; L74-I240 HydrophobicContact CD1-CG2 4.14Å; L74-I240 HydrophobicContact CD2-CD1 4.45Å
75	S	93.3	Very high	93.7	Very high	38 Å²	38	56.5 Å²	56.5	27%	0.266	29%	0.285	S	S	.	.	H	α-helix	trans	-73.1	-26.6	179.8	65.2	0	0	0	0	113.3	P71 D72 C77	P71-S75 PolarHBondContact O-N 3.48Å; P71-S75 PolarHBondContact O-OG 2.79Å; D72-S75 WeakPolarHBondContact CA-OG 3.35Å; D72-S75 PolarHBondContact O-OG 3.43Å; S75-C77 VanDerWaalsContact C-N 3.3Å; S75-C77 PolarHBondContact O-N 3.37Å
76	S	90.8	Very high	93.5	Very high	42 Å²	42	60.1 Å²	60.1	29%	0.294	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.3	-180	69.1	0	0	0	0	114.9	D72 E73 G78 K81	D72-S76 WeakPolarHBondContact O-CB 3.46Å; D72-S76 PolarHBondContact O-N 3.23Å; D72-S76 VanDerWaalsContact O-N 3.15Å; D72-S76 PolarHBondContact O-OG 2.84Å; D72-S76 VanDerWaalsContact O-OG 3.09Å; E73-S76 PolarHBondContact O-OG 3.48Å; E73-S76 VanDerWaalsContact O-OG 3.1Å; S76-G78 PolarHBondContact O-N 3.02Å; S76-G78 VanDerWaalsContact O-N 3.11Å; S76-G78 PolarHBondContact OG-N 3.15Å; S76-K81 PolarHBondContact O-NZ 3.25Å
77	C	91.4	Very high	93.3	Very high	7 Å²	7	62 Å²	62	5%	0.047	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	31.1	-169.2	-66.9	0	0	0	0	113	S75 W79 D214	S75-C77 VanDerWaalsContact C-N 3.3Å; S75-C77 PolarHBondContact O-N 3.37Å; C77-W79 VanDerWaalsContact CA-CZ3 3.41Å; C77-W79 HydrophobicContact CB-CH2 4.18Å; C77-W79 HydrophobicContact CB-CZ2 4.46Å; C77-W79 HydrophobicContact CB-CZ3 4.46Å; C77-W79 PolarHBondContact O-N 2.88Å; C77-D214 HydrophobicContact CB-CB 4.49Å
78	G	90.9	Very high	93.2	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.01	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-73	-23.3	-170.9	0	0	0	0	0	115.2	S76 N80 K81 K84 S87	S76-G78 PolarHBondContact O-N 3.02Å; S76-G78 VanDerWaalsContact O-N 3.11Å; S76-G78 PolarHBondContact OG-N 3.15Å; G78-N80 PolarHBondContact O-N 2.94Å; G78-K81 WeakPolarHBondContact O-CB 3.34Å; G78-K81 PolarHBondContact O-N 3.46Å; G78-K84 WeakPolarHBondContact O-CA 3.29Å; G78-K84 WeakPolarHBondContact O-CB 3.11Å; G78-S87 WeakPolarHBondContact CA-OG 3.5Å; G78-S87 PolarHBondContact O-OG 3.25Å
79	W	93	Very high	93.2	Very high	18 Å²	18	58.5 Å²	58.5	7%	0.068	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-63	-19.4	-173.8	57.3	86.6	0	0	0	114.8	E73 L74 C77 K84 A88 V91 V92 L207 L210	E73-W79 WeakPolarHBondContact O-CZ3 3.35Å; L74-W79 VanDerWaalsContact O-CH2 3.22Å; L74-W79 WeakPolarHBondContact O-CH2 3.39Å; L74-W79 WeakPolarHBondContact O-CZ3 3.49Å; C77-W79 VanDerWaalsContact CA-CZ3 3.41Å; C77-W79 HydrophobicContact CB-CH2 4.18Å; C77-W79 HydrophobicContact CB-CZ2 4.46Å; C77-W79 HydrophobicContact CB-CZ3 4.46Å; C77-W79 PolarHBondContact O-N 2.88Å; W79-K84 WeakPolarHBondContact O-CB 3.2Å; W79-A88 HydrophobicContact CB-CB 4.06Å; W79-A88 HydrophobicContact CE3-CB 4.41Å; W79-V91 HydrophobicContact CB-CB 4.35Å; W79-V91 HydrophobicContact CB-CG1 3.75Å; W79-V91 HydrophobicContact CD2-CG1 4.12Å; W79-V91 HydrophobicContact CE3-CG1 4.23Å; W79-V91 HydrophobicContact CG-CG1 3.95Å; W79-V92 HydrophobicContact CB-CG2 4.49Å; W79-L207 HydrophobicContact CD2-CD2 4.12Å; W79-L207 HydrophobicContact CE3-CD2 4.31Å; W79-L207 HydrophobicContact CH2-CD2 3.92Å; W79-L207 HydrophobicContact CZ2-CB 3.95Å; W79-L207 HydrophobicContact CZ2-CD2 3.71Å; W79-L207 HydrophobicContact CZ2-CG 4.33Å; W79-L207 HydrophobicContact CZ3-CD2 4.23Å; W79-L210 HydrophobicContact CH2-CB 3.98Å; W79-L210 HydrophobicContact CH2-CD1 3.95Å; W79-L210 HydrophobicContact CZ2-CB 4.29Å
80	N	81.1	Confident	93.2	Very high	61 Å²	61	60.6 Å²	60.6	33%	0.326	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-98.3	-0.3	176.9	-73.6	-28.2	0	0	0	113.7	G78	G78-N80 PolarHBondContact O-N 2.94Å
81	K	87.7	Confident	93.2	Very high	113 Å²	113	55.7 Å²	55.7	49%	0.491	30%	0.298	S	S	.	.	S	Bend	trans	-95.5	164.9	-176.7	-60.2	178.6	-176.2	164.4	0	110.5	S76 G78 E83 K84	S76-K81 PolarHBondContact O-NZ 3.25Å; G78-K81 WeakPolarHBondContact O-CB 3.34Å; G78-K81 PolarHBondContact O-N 3.46Å; K81-E83 PolarHBondContact O-N 3.35Å; K81-K84 VanDerWaalsContact O-CB 3.25Å; K81-K84 WeakPolarHBondContact O-CB 3.25Å; K81-K84 PolarHBondContact O-N 3.05Å; K81-K84 VanDerWaalsContact O-N 3.16Å
82	K	88.6	Confident	93.1	Very high	184 Å²	184	53.6 Å²	53.6	80%	0.8	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-36.7	176.6	-175.1	-176.6	178.2	-170.7	0	111.6	K84	K82-K84 PolarHBondContact O-N 3.39Å
83	E	91.3	Very high	93.2	Very high	118 Å²	118	49.5 Å²	49.5	55%	0.551	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	21.6	-178.1	-20.5	-53.3	157.6	0	0	112.9	K81 H85 S86 S87	K81-E83 PolarHBondContact O-N 3.35Å; E83-H85 PolarHBondContact O-N 3.42Å; E83-H85 VanDerWaalsContact O-N 3.12Å; E83-S86 PolarHBondContact O-N 3.23Å; E83-S87 PolarHBondContact O-N 3.12Å; E83-S87 PolarHBondContact O-OG 3.12Å
84	K	92.8	Very high	93.3	Very high	33 Å²	33	49 Å²	49	14%	0.143	27%	0.265	C	S	.	.	H	α-helix	trans	-54.9	-33.1	-173.5	62	179.5	-170.1	170.9	0	114	G78 W79 K81 K82 S86 S87 A88 V92 E268	G78-K84 WeakPolarHBondContact O-CA 3.29Å; G78-K84 WeakPolarHBondContact O-CB 3.11Å; W79-K84 WeakPolarHBondContact O-CB 3.2Å; K81-K84 VanDerWaalsContact O-CB 3.25Å; K81-K84 WeakPolarHBondContact O-CB 3.25Å; K81-K84 PolarHBondContact O-N 3.05Å; K81-K84 VanDerWaalsContact O-N 3.16Å; K82-K84 PolarHBondContact O-N 3.39Å; K84-S86 VanDerWaalsContact C-N 3.28Å; K84-S86 PolarHBondContact O-N 2.92Å; K84-S87 WeakPolarHBondContact CA-OG 3.39Å; K84-A88 CarbonylContact O-C 3.31Å; K84-A88 VanDerWaalsContact O-C 3.31Å; K84-A88 WeakPolarHBondContact O-CA 3.43Å; K84-A88 PolarHBondContact O-N 3.24Å; K84-V92 HydrophobicContact CB-CG2 3.83Å; K84-V92 HydrophobicContact CD-CG2 4.09Å; K84-V92 HydrophobicContact CG-CG2 4.01Å; K84-E268 IonicContact NZ-OE1 2.71Å; K84-E268 PolarHBondContact NZ-OE1 3.21Å; K84-E268 IonicContact NZ-OE2 2.68Å; K84-E268 PolarHBondContact NZ-OE2 3.42Å
85	H	92.4	Very high	93.3	Very high	109 Å²	109	49.6 Å²	49.6	51%	0.505	27%	0.268	S	S	.	.	H	α-helix	trans	-71.6	-23	-179.6	-66.7	-73.9	0	0	0	113.3	E83 P89	E83-H85 PolarHBondContact O-N 3.42Å; E83-H85 VanDerWaalsContact O-N 3.12Å; H85-P89 WeakPolarHBondContact O-CB 3.39Å
86	S	94.6	Very high	93.4	Very high	107 Å²	107	54.4 Å²	54.4	75%	0.748	28%	0.281	S	S	*	.	H	α-helix	trans	-96.3	-37.6	175.8	-51.3	0	0	0	0	111.7	E83 K84	E83-S86 PolarHBondContact O-N 3.23Å; K84-S86 VanDerWaalsContact C-N 3.28Å; K84-S86 PolarHBondContact O-N 2.92Å
87	S	93.6	Very high	93.6	Very high	41 Å²	41	53.6 Å²	53.6	29%	0.287	27%	0.271	S	S	.	.	H	α-helix	trans	-84.8	-30.7	-174.7	51.6	0	0	0	0	114.6	G78 E83 K84	G78-S87 WeakPolarHBondContact CA-OG 3.5Å; G78-S87 PolarHBondContact O-OG 3.25Å; E83-S87 PolarHBondContact O-N 3.12Å; E83-S87 PolarHBondContact O-OG 3.12Å; K84-S87 WeakPolarHBondContact CA-OG 3.39Å
88	A	96.9	Very high	93.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-144.3	55.1	-179.2	0	0	0	0	0	112.2	E73 W79 K84 N90 V91 V92	E73-A88 HydrophobicContact CB-CB 4.01Å; E73-A88 WeakPolarHBondContact OE2-CA 3.3Å; W79-A88 HydrophobicContact CB-CB 4.06Å; W79-A88 HydrophobicContact CE3-CB 4.41Å; K84-A88 CarbonylContact O-C 3.31Å; K84-A88 VanDerWaalsContact O-C 3.31Å; K84-A88 WeakPolarHBondContact O-CA 3.43Å; K84-A88 PolarHBondContact O-N 3.24Å; A88-N90 PolarHBondContact O-N 2.8Å; A88-V91 HydrophobicContact CB-CB 4.05Å; A88-V91 HydrophobicContact CB-CG2 4.26Å; A88-V91 PolarHBondContact O-N 3.43Å; A88-V92 WeakPolarHBondContact O-CB 3.48Å; A88-V92 VanDerWaalsContact O-CG2 3.27Å; A88-V92 WeakPolarHBondContact O-CG2 3.45Å; A88-V92 PolarHBondContact O-N 2.87Å
89	P	97.1	Very high	94.1	Very high	55 Å²	55	53.6 Å²	53.6	36%	0.357	27%	0.27	S	S	.	.	H	α-helix	trans	-56.9	-41.1	-173.1	22.3	-33.8	0	0	0	114.2	E73 H85 A93	E73-P89 WeakPolarHBondContact OE2-CD 3.24Å; E73-P89 VanDerWaalsContact OE2-N 3.13Å; H85-P89 WeakPolarHBondContact O-CB 3.39Å; P89-A93 WeakPolarHBondContact O-CB 3.49Å; P89-A93 PolarHBondContact O-N 3.03Å
90	N	98.1	Very high	94.2	Very high	46 Å²	46	54 Å²	54	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-78.8	-35	-177.5	-60.8	-60.2	0	0	0	111.6	A68 I69 E73 A88 V92 A93 F94	A68-N90 HydrophobicContact CB-CB 4.4Å; A68-N90 PolarHBondContact O-ND2 3.26Å; A68-N90 VanDerWaalsContact O-ND2 3.11Å; I69-N90 HydrophobicContact CB-CB 4.4Å; I69-N90 HydrophobicContact CG1-CB 3.85Å; E73-N90 WeakPolarHBondContact OE1-CB 3.42Å; E73-N90 PolarHBondContact OE1-ND2 3.46Å; E73-N90 WeakPolarHBondContact OE2-CA 3.38Å; E73-N90 WeakPolarHBondContact OE2-CB 3.39Å; E73-N90 PolarHBondContact OE2-N 3.48Å; A88-N90 PolarHBondContact O-N 2.8Å; N90-V92 VanDerWaalsContact C-N 3.3Å; N90-V92 PolarHBondContact O-N 2.86Å; N90-A93 PolarHBondContact O-N 3.26Å; N90-F94 WeakPolarHBondContact O-CB 3.02Å; N90-F94 PolarHBondContact O-N 3.5Å
91	V	97.9	Very high	95	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-42.4	171.2	180	0	0	0	0	110.4	I69 E73 L74 W79 A88 F94 T95 L203 L207	I69-V91 HydrophobicContact CG2-CG2 3.8Å; E73-V91 HydrophobicContact CB-CG2 3.94Å; E73-V91 PolarHBondContact OE2-N 2.92Å; L74-V91 HydrophobicContact CD2-CG2 3.91Å; L74-V91 HydrophobicContact CG-CG2 4.49Å; W79-V91 HydrophobicContact CB-CB 4.35Å; W79-V91 HydrophobicContact CB-CG1 3.75Å; W79-V91 HydrophobicContact CD2-CG1 4.12Å; W79-V91 HydrophobicContact CE3-CG1 4.23Å; W79-V91 HydrophobicContact CG-CG1 3.95Å; A88-V91 HydrophobicContact CB-CB 4.05Å; A88-V91 HydrophobicContact CB-CG2 4.26Å; A88-V91 PolarHBondContact O-N 3.43Å; V91-F94 PolarHBondContact O-N 2.84Å; V91-T95 WeakPolarHBondContact O-CB 3.17Å; V91-T95 PolarHBondContact O-N 3.25Å; V91-T95 PolarHBondContact O-OG1 3.25Å; V91-L203 HydrophobicContact CG1-CD2 4.28Å; V91-L207 HydrophobicContact CG1-CD1 3.87Å; V91-L207 HydrophobicContact CG1-CD2 4.07Å
92	V	96.4	Very high	95.5	Very high	15 Å²	15	46.7 Å²	46.7	9%	0.091	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-41.7	175	173.1	0	0	0	0	111	W79 K84 A88 N90 F94 T95 R96	W79-V92 HydrophobicContact CB-CG2 4.49Å; K84-V92 HydrophobicContact CB-CG2 3.83Å; K84-V92 HydrophobicContact CD-CG2 4.09Å; K84-V92 HydrophobicContact CG-CG2 4.01Å; A88-V92 WeakPolarHBondContact O-CB 3.48Å; A88-V92 VanDerWaalsContact O-CG2 3.27Å; A88-V92 WeakPolarHBondContact O-CG2 3.45Å; A88-V92 PolarHBondContact O-N 2.87Å; N90-V92 VanDerWaalsContact C-N 3.3Å; N90-V92 PolarHBondContact O-N 2.86Å; V92-F94 PolarHBondContact O-N 3.37Å; V92-T95 WeakPolarHBondContact O-CB 3.16Å; V92-T95 PolarHBondContact O-N 2.91Å; V92-R96 WeakPolarHBondContact O-CB 3.33Å; V92-R96 PolarHBondContact O-N 2.93Å
93	A	96.8	Very high	95.8	Very high	37 Å²	37	39.7 Å²	39.7	31%	0.306	21%	0.21	S	C	.	.	H	α-helix	trans	-62.2	-42	175.7	0	0	0	0	0	112.1	V65 P89 N90 R96 R97	V65-A93 HydrophobicContact CG1-CB 3.83Å; P89-A93 WeakPolarHBondContact O-CB 3.49Å; P89-A93 PolarHBondContact O-N 3.03Å; N90-A93 PolarHBondContact O-N 3.26Å; A93-R96 WeakPolarHBondContact O-CB 3.2Å; A93-R96 PolarHBondContact O-N 3.49Å; A93-R97 PolarHBondContact O-N 3.5Å
94	F	98.2	Very high	96.1	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-68.5	-39.2	178	-160.5	-125.5	0	0	0	111.9	D62 V65 F66 I69 N90 V91 V92 R96 R97 F98 H139 I200 L203	D62-F94 HydrophobicContact CB-CE2 4.24Å; V65-F94 HydrophobicContact CB-CD2 4.11Å; V65-F94 HydrophobicContact CG1-CB 3.92Å; V65-F94 HydrophobicContact CG1-CD2 3.95Å; V65-F94 HydrophobicContact CG1-CG 4.43Å; F66-F94 HydrophobicContact CB-CD2 4.27Å; F66-F94 HydrophobicContact CB-CE1 4.5Å; F66-F94 HydrophobicContact CB-CE2 3.72Å; F66-F94 HydrophobicContact CB-CZ 3.85Å; F66-F94 HydrophobicContact CD2-CE1 4.2Å; F66-F94 HydrophobicContact CD2-CZ 4.26Å; F66-F94 HydrophobicContact CG-CZ 4.34Å; I69-F94 HydrophobicContact CD1-CB 4.1Å; I69-F94 HydrophobicContact CD1-CD1 4.13Å; I69-F94 HydrophobicContact CD1-CG 4.21Å; N90-F94 WeakPolarHBondContact O-CB 3.02Å; N90-F94 PolarHBondContact O-N 3.5Å; V91-F94 PolarHBondContact O-N 2.84Å; V92-F94 PolarHBondContact O-N 3.37Å; F94-R96 VanDerWaalsContact C-N 3.31Å; F94-R96 PolarHBondContact O-N 3.43Å; F94-R97 WeakPolarHBondContact O-CB 3.49Å; F94-R97 PolarHBondContact O-N 3.3Å; F94-F98 PolarHBondContact O-N 2.85Å; F94-F98 VanDerWaalsContact O-N 3.09Å; F94-H139 AromaticContact CD1-CE1 3.61Å; F94-H139 AromaticContact CD1-ND1 3.8Å; F94-H139 HydrophobicContact CE1-CB 4.26Å; F94-H139 AromaticContact CE1-CE1 3.42Å; F94-H139 VanDerWaalsContact CE1-CE1 3.42Å; F94-H139 WeakPolarHBondContact CE1-CE1 3.41Å; F94-H139 AromaticContact CE1-CG 3.67Å; F94-H139 AromaticContact CE1-ND1 3.16Å; F94-H139 WeakPolarHBondContact CE1-ND1 3.35Å; F94-H139 AromaticContact CE2-CD2 3.87Å; F94-H139 AromaticContact CE2-NE2 3.89Å; F94-H139 HydrophobicContact CZ-CB 3.8Å; F94-H139 AromaticContact CZ-CD2 3.65Å; F94-H139 AromaticContact CZ-CE1 3.62Å; F94-H139 AromaticContact CZ-CG 3.34Å; F94-H139 AromaticContact CZ-ND1 3.36Å; F94-H139 WeakPolarHBondContact CZ-ND1 3.47Å; F94-H139 AromaticContact CZ-NE2 3.85Å; F94-H139 PolarHBondContact O-CE1 3Å; F94-H139 PolarHBondContact O-NE2 3.45Å; F94-I200 HydrophobicContact CE2-CG2 4.21Å; F94-I200 HydrophobicContact CZ-CG2 3.54Å; F94-L203 HydrophobicContact CD1-CB 3.9Å; F94-L203 HydrophobicContact CD1-CD2 3.72Å; F94-L203 HydrophobicContact CD1-CG 4.44Å; F94-L203 HydrophobicContact CE1-CB 3.85Å; F94-L203 HydrophobicContact CE1-CD2 4.4Å
95	T	96.3	Very high	96.3	Very high	15 Å²	15	32.8 Å²	32.8	9%	0.092	18%	0.178	C	C	.	.	H	α-helix	trans	-60.2	-40.8	169.7	-66.7	0	0	0	0	111.9	V91 V92 R97 F98 N99 L344	V91-T95 WeakPolarHBondContact O-CB 3.17Å; V91-T95 PolarHBondContact O-N 3.25Å; V91-T95 PolarHBondContact O-OG1 3.25Å; V92-T95 WeakPolarHBondContact O-CB 3.16Å; V92-T95 PolarHBondContact O-N 2.91Å; T95-R97 VanDerWaalsContact C-N 3.35Å; T95-R97 PolarHBondContact O-N 3.06Å; T95-F98 WeakPolarHBondContact O-CB 3.22Å; T95-F98 PolarHBondContact O-N 2.86Å; T95-N99 PolarHBondContact O-N 3.45Å; T95-N99 VanDerWaalsContact O-N 3.12Å; T95-L344 HydrophobicContact CG2-CB 3.49Å; T95-L344 VanDerWaalsContact CG2-CB 3.49Å
96	R	94.9	Very high	96.6	Very high	140 Å²	140	27.7 Å²	27.7	53%	0.528	16%	0.155	S	C	.	.	H	α-helix	trans	-62.9	-41.7	175.7	-172.3	-175.3	-178.6	178.2	3.4	111.5	V92 A93 F94 N99 Q100 Y266	V92-R96 WeakPolarHBondContact O-CB 3.33Å; V92-R96 PolarHBondContact O-N 2.93Å; A93-R96 WeakPolarHBondContact O-CB 3.2Å; A93-R96 PolarHBondContact O-N 3.49Å; F94-R96 VanDerWaalsContact C-N 3.31Å; F94-R96 PolarHBondContact O-N 3.43Å; R96-N99 PolarHBondContact O-N 2.99Å; R96-Q100 WeakPolarHBondContact O-CB 3.31Å; R96-Q100 PolarHBondContact O-N 3.3Å; R96-Y266 HydrophobicContact CG-CD1 3.94Å; R96-Y266 HydrophobicContact CG-CE1 4.4Å; R96-Y266 PolarHBondContact NH2-O 3.49Å; R96-Y266 VanDerWaalsContact NH2-O 3.14Å
97	R	96.6	Very high	96.6	Very high	25 Å²	25	26.8 Å²	26.8	9%	0.094	14%	0.135	C	C	.	.	H	α-helix	trans	-59.7	-45.1	175.5	-74.6	-162.2	56.2	73.9	10.2	112.2	I58 M61 D62 A93 F94 T95 N99 Q100 T101	I58-R97 PolarHBondContact O-NH2 3.33Å; M61-R97 VanDerWaalsContact C-CZ 3.42Å; M61-R97 VanDerWaalsContact CB-NH1 3.33Å; M61-R97 PolarHBondContact O-NE 3.14Å; D62-R97 IonicContact OD1-CZ 3.68Å; D62-R97 IonicContact OD1-NE 3.09Å; D62-R97 PolarHBondContact OD1-NE 3.2Å; D62-R97 IonicContact OD1-NH2 2.65Å; D62-R97 PolarHBondContact OD1-NH2 3Å; A93-R97 PolarHBondContact O-N 3.5Å; F94-R97 WeakPolarHBondContact O-CB 3.49Å; F94-R97 PolarHBondContact O-N 3.3Å; T95-R97 VanDerWaalsContact C-N 3.35Å; T95-R97 PolarHBondContact O-N 3.06Å; R97-N99 PolarHBondContact O-N 3.38Å; R97-Q100 PolarHBondContact O-N 3.19Å; R97-T101 PolarHBondContact O-N 2.97Å; R97-T101 PolarHBondContact O-OG1 2.96Å
98	F	97.2	Very high	96.8	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-53	-53.2	173.2	-174.9	-86.7	0	0	0	111.9	F94 T95 Q100 T101 S102 H139 M142 A143 Y202 H342 L344	F94-F98 PolarHBondContact O-N 2.85Å; F94-F98 VanDerWaalsContact O-N 3.09Å; T95-F98 WeakPolarHBondContact O-CB 3.22Å; T95-F98 PolarHBondContact O-N 2.86Å; F98-Q100 VanDerWaalsContact C-N 3.34Å; F98-Q100 PolarHBondContact O-N 3.38Å; F98-T101 PolarHBondContact O-N 3.32Å; F98-S102 PolarHBondContact O-N 3.35Å; F98-H139 AromaticContact CD2-CE1 3.83Å; F98-H139 PolarHBondContact N-NE2 2.7Å; F98-M142 HydrophobicContact CE2-CB 3.9Å; F98-M142 HydrophobicContact CE2-CG 3.66Å; F98-M142 HydrophobicContact CZ-CG 3.89Å; F98-A143 HydrophobicContact CD1-CB 4.46Å; F98-A143 HydrophobicContact CD2-CB 3.68Å; F98-A143 HydrophobicContact CE1-CB 4.49Å; F98-A143 HydrophobicContact CE2-CB 3.76Å; F98-A143 VanDerWaalsContact CE2-N 3.33Å; F98-A143 HydrophobicContact CG-CB 4.06Å; F98-A143 HydrophobicContact CZ-CB 4.17Å; F98-Y202 HydrophobicContact CD2-CE2 4.41Å; F98-Y202 HydrophobicContact CE2-CD2 4.04Å; F98-Y202 AromaticContact CE2-CE2 3.78Å; F98-Y202 HydrophobicContact CE2-CE2 3.78Å; F98-Y202 HydrophobicContact CZ-CE2 4.27Å; F98-H342 WeakPolarHBondContact CE1-O 3.42Å; F98-L344 HydrophobicContact CB-CD1 3.69Å; F98-L344 HydrophobicContact CB-CG 4.49Å; F98-L344 HydrophobicContact CD1-CB 4.32Å; F98-L344 HydrophobicContact CD1-CD1 3.8Å; F98-L344 HydrophobicContact CD1-CG 3.76Å; F98-L344 HydrophobicContact CD2-CD1 3.68Å; F98-L344 HydrophobicContact CD2-CG 4.36Å; F98-L344 HydrophobicContact CE1-CD1 4.35Å; F98-L344 HydrophobicContact CE1-CG 4.01Å; F98-L344 HydrophobicContact CE2-CD1 4.23Å; F98-L344 HydrophobicContact CG-CD1 3.44Å; F98-L344 VanDerWaalsContact CG-CD1 3.44Å; F98-L344 HydrophobicContact CG-CG 3.95Å; F98-L344 HydrophobicContact CZ-CG 4.4Å
99	N	94.9	Very high	96.9	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.032	13%	0.127	C	C	.	.	H	α-helix	trans	-66.8	-37	-176.7	-68.2	-22	0	0	0	111.8	T95 R96 R97 S102 F103 Y266 S343 L344	T95-N99 PolarHBondContact O-N 3.45Å; T95-N99 VanDerWaalsContact O-N 3.12Å; R96-N99 PolarHBondContact O-N 2.99Å; R97-N99 PolarHBondContact O-N 3.38Å; N99-S102 PolarHBondContact O-N 3.02Å; N99-F103 WeakPolarHBondContact O-CB 3.34Å; N99-F103 PolarHBondContact O-N 3.4Å; N99-Y266 HydrophobicContact CB-CD1 4.08Å; N99-Y266 HydrophobicContact CB-CD2 4.24Å; N99-Y266 HydrophobicContact CB-CE1 3.58Å; N99-Y266 HydrophobicContact CB-CE2 3.77Å; N99-Y266 HydrophobicContact CB-CG 4.38Å; N99-Y266 VanDerWaalsContact CB-CZ 3.4Å; N99-Y266 PolarHBondContact ND2-OH 3.25Å; N99-Y266 VanDerWaalsContact ND2-OH 3.11Å; N99-S343 PolarHBondContact ND2-OG 2.83Å; N99-S343 VanDerWaalsContact ND2-OG 3.14Å; N99-S343 VanDerWaalsContact OD1-CA 3.3Å; N99-S343 WeakPolarHBondContact OD1-CA 3.38Å; N99-S343 WeakPolarHBondContact OD1-CB 3.47Å; N99-S343 PolarHBondContact OD1-OG 3.19Å; N99-L344 PolarHBondContact OD1-N 3.07Å; N99-L344 VanDerWaalsContact OD1-N 3.12Å
100	Q	95.9	Very high	96.9	Very high	28 Å²	28	23.6 Å²	23.6	13%	0.131	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-46.4	175	-173.5	-179.8	11.9	0	0	111.4	R96 R97 F98 F103 W104 L261 V264	R96-Q100 WeakPolarHBondContact O-CB 3.31Å; R96-Q100 PolarHBondContact O-N 3.3Å; R97-Q100 PolarHBondContact O-N 3.19Å; F98-Q100 VanDerWaalsContact C-N 3.34Å; F98-Q100 PolarHBondContact O-N 3.38Å; Q100-F103 PolarHBondContact O-N 3.45Å; Q100-W104 WeakPolarHBondContact O-CB 3.42Å; Q100-W104 PolarHBondContact O-N 2.9Å; Q100-L261 PolarHBondContact NE2-O 3.28Å; Q100-V264 PolarHBondContact NE2-O 3.39Å
101	T	97.6	Very high	96.8	Very high	10 Å²	10	26.8 Å²	26.8	6%	0.061	12%	0.124	C	C	.	.	H	α-helix	trans	-62.8	-45.9	177	-61.8	0	0	0	0	111.4	R97 F98 F103 W104 V105 A143 V144	R97-T101 PolarHBondContact O-N 2.97Å; R97-T101 PolarHBondContact O-OG1 2.96Å; F98-T101 PolarHBondContact O-N 3.32Å; T101-F103 VanDerWaalsContact C-N 3.34Å; T101-F103 PolarHBondContact O-N 2.94Å; T101-W104 PolarHBondContact O-N 2.94Å; T101-V105 WeakPolarHBondContact O-CG2 3.41Å; T101-V105 PolarHBondContact O-N 3.32Å; T101-V105 VanDerWaalsContact O-N 3.16Å; T101-A143 HydrophobicContact CG2-CB 3.91Å; T101-V144 HydrophobicContact CG2-CG2 4.06Å
102	S	96.8	Very high	96.7	Very high	9 Å²	9	27.5 Å²	27.5	6%	0.063	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-40.9	175.9	179.8	0	0	0	0	111.9	F98 N99 V106 A143 G147	F98-S102 PolarHBondContact O-N 3.35Å; N99-S102 PolarHBondContact O-N 3.02Å; S102-V106 WeakPolarHBondContact O-CG2 3.46Å; S102-V106 PolarHBondContact O-N 2.82Å; S102-A143 WeakPolarHBondContact CB-O 3.42Å; S102-G147 WeakPolarHBondContact OG-CA 3.41Å; S102-G147 PolarHBondContact OG-N 3.38Å
103	F	95.8	Very high	96.5	Very high	38 Å²	38	35.3 Å²	35.3	17%	0.167	17%	0.165	C	C	.	.	H	α-helix	trans	-66.5	-43	178.8	172.1	-109.9	0	0	0	111.8	N99 Q100 T101 V105 V106 R107 V264 Y266 V274	N99-F103 WeakPolarHBondContact O-CB 3.34Å; N99-F103 PolarHBondContact O-N 3.4Å; Q100-F103 PolarHBondContact O-N 3.45Å; T101-F103 VanDerWaalsContact C-N 3.34Å; T101-F103 PolarHBondContact O-N 2.94Å; F103-V105 PolarHBondContact O-N 3.11Å; F103-V106 PolarHBondContact O-N 3.24Å; F103-R107 HydrophobicContact CE2-CB 4.43Å; F103-R107 HydrophobicContact CZ-CB 4.31Å; F103-R107 VanDerWaalsContact O-CB 3.3Å; F103-R107 WeakPolarHBondContact O-CB 3.46Å; F103-R107 PolarHBondContact O-N 2.65Å; F103-V264 HydrophobicContact CD1-CG1 3.74Å; F103-V264 HydrophobicContact CE1-CG1 3.73Å; F103-Y266 HydrophobicContact CB-CD2 4.24Å; F103-V274 HydrophobicContact CD2-CG1 3.65Å; F103-V274 HydrophobicContact CE2-CG1 3.17Å; F103-V274 HydrophobicContact CZ-CG1 4.06Å
104	W	97	Very high	96.6	Very high	5 Å²	5	36.7 Å²	36.7	2%	0.019	17%	0.17	C	C	.	.	H	α-helix	trans	-55.1	-50.8	175.3	165.9	60.1	0	0	0	111.6	Y54 I58 Q100 T101 V106 R107 E108 Y125 Y260 L261 V264	Y54-W104 AromaticContact CD1-CH2 3.7Å; Y54-W104 HydrophobicContact CD1-CH2 3.7Å; Y54-W104 AromaticContact CD1-CZ2 3.79Å; Y54-W104 HydrophobicContact CD1-CZ2 3.79Å; Y54-W104 AromaticContact CE1-CH2 3.95Å; Y54-W104 HydrophobicContact CE1-CH2 3.95Å; Y54-W104 AromaticContact CE1-CZ2 3.53Å; Y54-W104 HydrophobicContact CE1-CZ2 3.53Å; Y54-W104 HydrophobicContact CG-CH2 4.07Å; Y54-W104 HydrophobicContact CG-CZ2 4.47Å; I58-W104 HydrophobicContact CD1-CH2 4.24Å; I58-W104 HydrophobicContact CD1-CZ3 3.74Å; Q100-W104 WeakPolarHBondContact O-CB 3.42Å; Q100-W104 PolarHBondContact O-N 2.9Å; T101-W104 PolarHBondContact O-N 2.94Å; W104-V106 VanDerWaalsContact C-N 3.34Å; W104-V106 PolarHBondContact O-N 3.21Å; W104-R107 PolarHBondContact O-N 2.71Å; W104-E108 HydrophobicContact CG-CG 4.48Å; W104-E108 WeakPolarHBondContact O-CG 3.47Å; W104-E108 PolarHBondContact O-N 3.37Å; W104-Y125 AromaticContact CH2-CD1 3.85Å; W104-Y125 HydrophobicContact CH2-CD1 3.85Å; W104-Y125 AromaticContact CH2-CE1 3.33Å; W104-Y125 HydrophobicContact CH2-CE1 3.33Å; W104-Y125 HydrophobicContact CZ2-CD1 4.33Å; W104-Y125 AromaticContact CZ2-CE1 3.38Å; W104-Y125 HydrophobicContact CZ2-CE1 3.38Å; W104-Y125 AromaticContact CZ2-CZ 3.77Å; W104-Y125 HydrophobicContact CZ3-CD1 4.29Å; W104-Y125 HydrophobicContact CZ3-CE1 4.07Å; W104-Y260 HydrophobicContact CZ2-CE1 4.42Å; W104-Y260 AromaticContact NE1-CE1 3.48Å; W104-Y260 AromaticContact NE1-CZ 3.64Å; W104-Y260 PolarHBondContact NE1-OH 3.43Å; W104-L261 HydrophobicContact CD2-CD2 3.95Å; W104-L261 HydrophobicContact CE3-CD2 4.28Å; W104-L261 HydrophobicContact CH2-CD2 4.15Å; W104-L261 HydrophobicContact CZ2-CD2 3.81Å; W104-L261 HydrophobicContact CZ3-CD2 4.38Å; W104-V264 HydrophobicContact CB-CG1 4.17Å
105	V	98.1	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-55.2	-49.1	177.4	170	0	0	0	0	111.4	T101 F103 I109 Y125 V144 L148	T101-V105 WeakPolarHBondContact O-CG2 3.41Å; T101-V105 PolarHBondContact O-N 3.32Å; T101-V105 VanDerWaalsContact O-N 3.16Å; F103-V105 PolarHBondContact O-N 3.11Å; V105-I109 HydrophobicContact CG1-CD1 3.88Å; V105-I109 WeakPolarHBondContact O-CD1 3.41Å; V105-I109 VanDerWaalsContact O-CG1 3.28Å; V105-I109 WeakPolarHBondContact O-CG1 3.46Å; V105-I109 PolarHBondContact O-N 3.46Å; V105-Y125 HydrophobicContact CB-CD2 4.37Å; V105-Y125 HydrophobicContact CG1-CD2 3.93Å; V105-Y125 HydrophobicContact CG1-CG 4.43Å; V105-Y125 HydrophobicContact CG2-CD2 4.35Å; V105-Y125 HydrophobicContact CG2-CG 4.36Å; V105-V144 HydrophobicContact CG2-CB 4.4Å; V105-V144 HydrophobicContact CG2-CG1 4.11Å; V105-V144 HydrophobicContact CG2-CG2 4.04Å; V105-L148 HydrophobicContact CG1-CD2 3.75Å; V105-L148 HydrophobicContact CG1-CG 4.22Å
106	V	97.9	Very high	96.6	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-47	-179.9	173.6	0	0	0	0	110.9	S102 F103 W104 I109 L110 P152 I153 N278	S102-V106 WeakPolarHBondContact O-CG2 3.46Å; S102-V106 PolarHBondContact O-N 2.82Å; F103-V106 PolarHBondContact O-N 3.24Å; W104-V106 VanDerWaalsContact C-N 3.34Å; W104-V106 PolarHBondContact O-N 3.21Å; V106-I109 PolarHBondContact O-N 3.42Å; V106-L110 HydrophobicContact CG1-CD1 3.73Å; V106-L110 HydrophobicContact CG1-CG 4.29Å; V106-L110 VanDerWaalsContact O-CG 3.29Å; V106-L110 WeakPolarHBondContact O-CG 3.42Å; V106-L110 PolarHBondContact O-N 3.17Å; V106-P152 HydrophobicContact CG1-CG 4.01Å; V106-I153 HydrophobicContact CB-CD1 4.48Å; V106-I153 HydrophobicContact CB-CG1 4.35Å; V106-I153 HydrophobicContact CG1-CD1 4.11Å; V106-I153 HydrophobicContact CG1-CG1 4.21Å; V106-I153 HydrophobicContact CG2-CG1 3.94Å; V106-N278 HydrophobicContact CG1-CB 4.2Å
107	R	95.8	Very high	96.8	Very high	87 Å²	87	42 Å²	42	33%	0.328	20%	0.2	S	C	.	.	H	α-helix	trans	-58.3	-52.7	-178.4	177.6	-177.5	174.7	-110.5	8.5	111.2	F103 W104 I109 L110 H111	F103-R107 HydrophobicContact CE2-CB 4.43Å; F103-R107 HydrophobicContact CZ-CB 4.31Å; F103-R107 VanDerWaalsContact O-CB 3.3Å; F103-R107 WeakPolarHBondContact O-CB 3.46Å; F103-R107 PolarHBondContact O-N 2.65Å; W104-R107 PolarHBondContact O-N 2.71Å; R107-I109 VanDerWaalsContact C-N 3.34Å; R107-I109 PolarHBondContact O-N 2.77Å; R107-L110 PolarHBondContact O-N 3.3Å; R107-H111 WeakPolarHBondContact O-CB 3.46Å; R107-H111 PolarHBondContact O-N 2.84Å; R107-H111 PolarHBondContact O-ND1 3.32Å
108	E	96.9	Very high	96.9	Very high	27 Å²	27	41.4 Å²	41.4	13%	0.126	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-37.2	-175.1	-66.2	-57.9	142.8	0	0	112.2	V46 W104 A112 V121 Y125 Y260	V46-E108 HydrophobicContact CG1-CG 4.31Å; V46-E108 WeakPolarHBondContact CG1-OE2 3.4Å; W104-E108 HydrophobicContact CG-CG 4.48Å; W104-E108 WeakPolarHBondContact O-CG 3.47Å; W104-E108 PolarHBondContact O-N 3.37Å; E108-A112 PolarHBondContact O-N 3.29Å; E108-V121 HydrophobicContact CB-CG1 4.29Å; E108-Y125 HydrophobicContact CB-CE2 3.77Å; E108-Y125 WeakPolarHBondContact CB-OH 3.46Å; E108-Y125 VanDerWaalsContact CG-OH 3.24Å; E108-Y125 WeakPolarHBondContact CG-OH 3.2Å; E108-Y260 WeakPolarHBondContact CG-OH 3.22Å; E108-Y260 PolarHBondContact OE1-OH 3.31Å; E108-Y260 PolarHBondContact OE2-OH 2.86Å
109	I	98.3	Very high	96.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-47.2	174.2	-64.6	165.2	0	0	0	110.6	V105 V106 R107 H111 A112 R118 V121 L122 Y125 L148 I153 L156	V105-I109 HydrophobicContact CG1-CD1 3.88Å; V105-I109 WeakPolarHBondContact O-CD1 3.41Å; V105-I109 VanDerWaalsContact O-CG1 3.28Å; V105-I109 WeakPolarHBondContact O-CG1 3.46Å; V105-I109 PolarHBondContact O-N 3.46Å; V106-I109 PolarHBondContact O-N 3.42Å; R107-I109 VanDerWaalsContact C-N 3.34Å; R107-I109 PolarHBondContact O-N 2.77Å; I109-H111 VanDerWaalsContact C-N 3.34Å; I109-H111 PolarHBondContact O-N 3.14Å; I109-A112 WeakPolarHBondContact O-CB 3.48Å; I109-A112 PolarHBondContact O-N 2.98Å; I109-R118 HydrophobicContact CG2-CG 3.71Å; I109-R118 WeakPolarHBondContact O-CD 3.37Å; I109-R118 WeakPolarHBondContact O-CG 3.28Å; I109-V121 HydrophobicContact CG1-CG1 3.95Å; I109-L122 HydrophobicContact CD1-CD1 3.77Å; I109-Y125 HydrophobicContact CD1-CD2 4.07Å; I109-Y125 HydrophobicContact CG1-CD2 3.97Å; I109-Y125 HydrophobicContact CG1-CE2 4.11Å; I109-L148 HydrophobicContact CD1-CD2 3.59Å; I109-I153 HydrophobicContact CB-CD1 3.87Å; I109-I153 HydrophobicContact CD1-CD1 4.27Å; I109-I153 HydrophobicContact CD1-CG2 4.08Å; I109-I153 HydrophobicContact CG2-CD1 3.77Å; I109-L156 HydrophobicContact CG2-CD1 4.08Å
110	L	97.6	Very high	97.1	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-70.4	-28.8	-175.7	-67.4	179.2	0	0	0	113.7	V106 R107 P152 I153 L156 N278 L281 I285	V106-L110 HydrophobicContact CG1-CD1 3.73Å; V106-L110 HydrophobicContact CG1-CG 4.29Å; V106-L110 VanDerWaalsContact O-CG 3.29Å; V106-L110 WeakPolarHBondContact O-CG 3.42Å; V106-L110 PolarHBondContact O-N 3.17Å; R107-L110 PolarHBondContact O-N 3.3Å; L110-P152 HydrophobicContact CD1-CB 4.08Å; L110-P152 HydrophobicContact CD2-CB 4.46Å; L110-I153 HydrophobicContact CD2-CD1 3.82Å; L110-I153 HydrophobicContact CG-CD1 3.83Å; L110-L156 HydrophobicContact CD2-CD1 4.19Å; L110-N278 HydrophobicContact CD1-CB 3.65Å; L110-N278 WeakPolarHBondContact CD1-O 3.18Å; L110-L281 HydrophobicContact CB-CD2 3.71Å; L110-L281 HydrophobicContact CB-CG 4.2Å; L110-L281 HydrophobicContact CD1-CD2 4.42Å; L110-I285 HydrophobicContact CD2-CD1 3.64Å
111	H	95.4	Very high	97.2	Very high	112 Å²	112	44.1 Å²	44.1	52%	0.519	21%	0.213	S	C	.	.	H	α-helix	trans	-91.3	-1	-179.1	-67.7	76.2	0	0	0	113.5	R107 I109 Q113	R107-H111 WeakPolarHBondContact O-CB 3.46Å; R107-H111 PolarHBondContact O-N 2.84Å; R107-H111 PolarHBondContact O-ND1 3.32Å; I109-H111 VanDerWaalsContact C-N 3.34Å; I109-H111 PolarHBondContact O-N 3.14Å; H111-Q113 PolarHBondContact O-N 2.96Å
112	A	95.9	Very high	97.3	Very high	15 Å²	15	43.7 Å²	43.7	12%	0.124	21%	0.21	C	C	.	.			trans	-60.1	128.5	173.2	0	0	0	0	0	111.4	E108 I109 T114 I117 R118	E108-A112 PolarHBondContact O-N 3.29Å; I109-A112 WeakPolarHBondContact O-CB 3.48Å; I109-A112 PolarHBondContact O-N 2.98Å; A112-T114 VanDerWaalsContact C-N 3.33Å; A112-T114 PolarHBondContact O-N 3.48Å; A112-I117 HydrophobicContact CB-CG2 4.17Å; A112-R118 HydrophobicContact CB-CB 3.64Å; A112-R118 HydrophobicContact CB-CG 4.08Å
113	Q	93.9	Very high	97.4	Very high	180 Å²	180	43.9 Å²	43.9	84%	0.841	21%	0.211	S	C	*	.	S	Bend	trans	-64.4	-32.4	-167.3	-62.7	178.4	16.1	0	0	114.1	H111	H111-Q113 PolarHBondContact O-N 2.96Å
114	T	97.2	Very high	97.5	Very high	65 Å²	65	42.3 Å²	42.3	40%	0.399	20%	0.204	S	C	.	.	S	Bend	trans	-132.1	159.1	-177.7	72.7	0	0	0	0	111.1	A112 K116 I117 R118	A112-T114 VanDerWaalsContact C-N 3.33Å; A112-T114 PolarHBondContact O-N 3.48Å; T114-K116 VanDerWaalsContact C-N 3.26Å; T114-K116 PolarHBondContact O-N 3.32Å; T114-I117 HydrophobicContact CG2-CD1 4.31Å; T114-I117 PolarHBondContact O-N 3.31Å; T114-I117 VanDerWaalsContact OG1-CG1 3.32Å; T114-I117 WeakPolarHBondContact OG1-CG1 3.42Å; T114-I117 PolarHBondContact OG1-N 2.86Å; T114-R118 VanDerWaalsContact O-CB 3.25Å; T114-R118 WeakPolarHBondContact O-CB 3.4Å; T114-R118 PolarHBondContact O-N 3.41Å
115	L	97.8	Very high	97.6	Very high	64 Å²	64	42.1 Å²	42.1	34%	0.335	20%	0.204	S	C	.	.	H	α-helix	trans	-56.7	-39.7	175.2	171.4	62.6	0	0	0	112.3	R118 A119 K158 L162	L115-R118 VanDerWaalsContact CD1-NH2 3.31Å; L115-R118 PolarHBondContact O-N 3.45Å; L115-A119 PolarHBondContact O-N 3.47Å; L115-K158 HydrophobicContact CD1-CB 4.08Å; L115-K158 HydrophobicContact CD2-CB 4.28Å; L115-L162 HydrophobicContact CD1-CD1 4Å; L115-L162 HydrophobicContact CD2-CD1 4.03Å; L115-L162 HydrophobicContact CG-CD1 3.64Å
116	K	97.9	Very high	97.6	Very high	145 Å²	145	42.1 Å²	42.1	63%	0.63	20%	0.204	S	C	*	.	H	α-helix	trans	-65.7	-51.7	179.7	-174.4	-178	175.5	-173.3	0	111.2	T114 R118 A119 E120	T114-K116 VanDerWaalsContact C-N 3.26Å; T114-K116 PolarHBondContact O-N 3.32Å; K116-R118 VanDerWaalsContact C-N 3.26Å; K116-R118 PolarHBondContact O-N 3.35Å; K116-A119 PolarHBondContact O-N 3.33Å; K116-A119 VanDerWaalsContact O-N 3.15Å; K116-E120 WeakPolarHBondContact CE-OE1 3.49Å; K116-E120 PolarHBondContact O-N 3.12Å
117	I	98	Very high	97.7	Very high	59 Å²	59	47.3 Å²	47.3	30%	0.303	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-41.8	177	-65.8	170.2	0	0	0	109.9	L47 A112 T114 A119 E120 V121	L47-I117 HydrophobicContact CD1-CG2 4.18Å; A112-I117 HydrophobicContact CB-CG2 4.17Å; T114-I117 HydrophobicContact CG2-CD1 4.31Å; T114-I117 PolarHBondContact O-N 3.31Å; T114-I117 VanDerWaalsContact OG1-CG1 3.32Å; T114-I117 WeakPolarHBondContact OG1-CG1 3.42Å; T114-I117 PolarHBondContact OG1-N 2.86Å; I117-A119 VanDerWaalsContact C-N 3.32Å; I117-A119 PolarHBondContact O-N 2.94Å; I117-E120 WeakPolarHBondContact O-CB 3.5Å; I117-E120 PolarHBondContact O-N 3.16Å; I117-E120 VanDerWaalsContact O-N 3.12Å; I117-V121 HydrophobicContact CG2-CG2 4.29Å; I117-V121 WeakPolarHBondContact O-CG2 3.33Å; I117-V121 PolarHBondContact O-N 2.66Å
118	R	98.6	Very high	97.8	Very high	13 Å²	13	43.2 Å²	43.2	5%	0.049	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-40.8	177.5	-172.1	165.6	61.4	-111.3	5.4	112.9	I109 A112 T114 L115 K116 V121 L122 T159 E286	I109-R118 HydrophobicContact CG2-CG 3.71Å; I109-R118 WeakPolarHBondContact O-CD 3.37Å; I109-R118 WeakPolarHBondContact O-CG 3.28Å; A112-R118 HydrophobicContact CB-CB 3.64Å; A112-R118 HydrophobicContact CB-CG 4.08Å; T114-R118 VanDerWaalsContact O-CB 3.25Å; T114-R118 WeakPolarHBondContact O-CB 3.4Å; T114-R118 PolarHBondContact O-N 3.41Å; L115-R118 VanDerWaalsContact CD1-NH2 3.31Å; L115-R118 PolarHBondContact O-N 3.45Å; K116-R118 VanDerWaalsContact C-N 3.26Å; K116-R118 PolarHBondContact O-N 3.35Å; R118-V121 PolarHBondContact O-N 2.75Å; R118-L122 WeakPolarHBondContact O-CB 3.36Å; R118-L122 PolarHBondContact O-N 3.09Å; R118-T159 HydrophobicContact CB-CG2 4.41Å; R118-T159 HydrophobicContact CG-CG2 3.86Å; R118-T159 PolarHBondContact NE-OG1 3.44Å; R118-T159 PolarHBondContact NH2-OG1 3.27Å; R118-E286 IonicContact CZ-OE1 2.7Å; R118-E286 IonicContact NE-OE1 2.8Å; R118-E286 IonicContact NH2-OE1 3.67Å; R118-E286 PolarHBondContact NH2-OE1 2.86Å
119	A	98.6	Very high	97.9	Very high	9 Å²	9	41.9 Å²	41.9	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-68	-36.2	175.3	0	0	0	0	0	112.3	L115 K116 I117 L122 S123 T159 L162	L115-A119 PolarHBondContact O-N 3.47Å; K116-A119 PolarHBondContact O-N 3.33Å; K116-A119 VanDerWaalsContact O-N 3.15Å; I117-A119 VanDerWaalsContact C-N 3.32Å; I117-A119 PolarHBondContact O-N 2.94Å; A119-L122 PolarHBondContact O-N 3.11Å; A119-S123 WeakPolarHBondContact O-CB 3.42Å; A119-S123 PolarHBondContact O-N 2.85Å; A119-T159 HydrophobicContact CB-CG2 4.14Å; A119-L162 HydrophobicContact CB-CB 3.68Å; A119-L162 HydrophobicContact CB-CD1 3.98Å; A119-L162 HydrophobicContact CB-CG 4.49Å
120	E	98.6	Very high	98	Very high	81 Å²	81	46 Å²	46	38%	0.379	22%	0.219	S	C	.	.	H	α-helix	trans	-65.2	-42.9	174.1	-70.2	172.1	-168.4	0	0	111.7	L47 K116 I117 S123 L124	L47-E120 HydrophobicContact CD1-CB 4.3Å; L47-E120 HydrophobicContact CD2-CB 4.15Å; K116-E120 WeakPolarHBondContact CE-OE1 3.49Å; K116-E120 PolarHBondContact O-N 3.12Å; I117-E120 WeakPolarHBondContact O-CB 3.5Å; I117-E120 PolarHBondContact O-N 3.16Å; I117-E120 VanDerWaalsContact O-N 3.12Å; E120-S123 PolarHBondContact O-N 3.23Å; E120-L124 WeakPolarHBondContact O-CB 3.41Å; E120-L124 PolarHBondContact O-N 3.14Å
121	V	98.6	Very high	98	Very high	2 Å²	2	49 Å²	49	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-43.1	174	174.5	0	0	0	0	111	V46 L47 E108 I109 I117 R118 S123 L124 Y125	V46-V121 HydrophobicContact CG2-CG2 3.93Å; L47-V121 HydrophobicContact CD2-CG2 3.77Å; L47-V121 HydrophobicContact CG-CG2 4.18Å; E108-V121 HydrophobicContact CB-CG1 4.29Å; I109-V121 HydrophobicContact CG1-CG1 3.95Å; I117-V121 HydrophobicContact CG2-CG2 4.29Å; I117-V121 WeakPolarHBondContact O-CG2 3.33Å; I117-V121 PolarHBondContact O-N 2.66Å; R118-V121 PolarHBondContact O-N 2.75Å; V121-S123 PolarHBondContact O-N 3.43Å; V121-L124 WeakPolarHBondContact O-CB 3.29Å; V121-L124 PolarHBondContact O-N 2.89Å; V121-Y125 HydrophobicContact CG1-CD2 3.93Å; V121-Y125 HydrophobicContact CG1-CE2 3.34Å; V121-Y125 WeakPolarHBondContact O-CD2 3.38Å; V121-Y125 PolarHBondContact O-N 2.97Å; V121-Y125 VanDerWaalsContact O-N 3.09Å
122	L	98.8	Very high	98.2	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-58.9	-47	174.4	-178.6	68.8	0	0	0	111.5	I109 R118 A119 Y125 I126 L148 I153 T159 W160 L163	I109-L122 HydrophobicContact CD1-CD1 3.77Å; R118-L122 WeakPolarHBondContact O-CB 3.36Å; R118-L122 PolarHBondContact O-N 3.09Å; A119-L122 PolarHBondContact O-N 3.11Å; L122-Y125 PolarHBondContact O-N 2.56Å; L122-I126 HydrophobicContact CG-CD1 4.36Å; L122-I126 WeakPolarHBondContact O-CG1 3.28Å; L122-I126 PolarHBondContact O-N 2.78Å; L122-I126 VanDerWaalsContact O-N 3.12Å; L122-L148 HydrophobicContact CD1-CD2 3.47Å; L122-L148 VanDerWaalsContact CD1-CD2 3.47Å; L122-I153 HydrophobicContact CD1-CG2 4.2Å; L122-T159 HydrophobicContact CB-CG2 4.27Å; L122-T159 HydrophobicContact CD2-CG2 3.7Å; L122-W160 HydrophobicContact CD1-CH2 4.13Å; L122-W160 HydrophobicContact CD1-CZ2 4.03Å; L122-W160 HydrophobicContact CD2-CD2 3.86Å; L122-W160 HydrophobicContact CD2-CE3 4.02Å; L122-W160 HydrophobicContact CD2-CG 4.3Å; L122-W160 HydrophobicContact CD2-CZ2 4.4Å; L122-W160 HydrophobicContact CD2-CZ3 4.34Å; L122-L163 HydrophobicContact CB-CD2 4.31Å; L122-L163 HydrophobicContact CD2-CD1 3.72Å; L122-L163 HydrophobicContact CD2-CD2 3.95Å; L122-L163 HydrophobicContact CD2-CG 3.9Å; L122-L163 HydrophobicContact CG-CD1 4.19Å; L122-L163 HydrophobicContact CG-CD2 4.07Å; L122-L163 HydrophobicContact CG-CG 4.47Å
123	S	98.8	Very high	98.3	Very high	13 Å²	13	43.8 Å²	43.8	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-41.1	175.9	170.5	0	0	0	0	112.3	A119 E120 V121 Y125 I126 R127 D167	A119-S123 WeakPolarHBondContact O-CB 3.42Å; A119-S123 PolarHBondContact O-N 2.85Å; E120-S123 PolarHBondContact O-N 3.23Å; V121-S123 PolarHBondContact O-N 3.43Å; S123-Y125 VanDerWaalsContact C-N 3.34Å; S123-Y125 PolarHBondContact O-N 3.17Å; S123-I126 PolarHBondContact O-N 3.42Å; S123-R127 WeakPolarHBondContact O-CG 3.45Å; S123-R127 PolarHBondContact O-N 3.34Å; S123-R127 PolarHBondContact O-NE 2.97Å; S123-R127 PolarHBondContact OG-NE 3.21Å; S123-D167 WeakPolarHBondContact CB-OD2 3.23Å; S123-D167 VanDerWaalsContact OG-CG 3.31Å; S123-D167 PolarHBondContact OG-OD2 3.04Å
124	L	98.8	Very high	98.4	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-56.6	-46	175.6	171.8	66.7	0	0	0	111.4	V46 L47 P51 Y54 E120 V121 R127 T128	V46-L124 VanDerWaalsContact O-CD2 3.3Å; V46-L124 WeakPolarHBondContact O-CD2 3.26Å; L47-L124 HydrophobicContact CD2-CB 4.47Å; L47-L124 HydrophobicContact CD2-CD2 4.01Å; P51-L124 HydrophobicContact CB-CD1 4.45Å; P51-L124 HydrophobicContact CG-CD1 3.85Å; Y54-L124 HydrophobicContact CD2-CD1 4.45Å; Y54-L124 HydrophobicContact CE2-CD1 4.46Å; Y54-L124 HydrophobicContact CE2-CD2 3.94Å; Y54-L124 HydrophobicContact CE2-CG 4.49Å; E120-L124 WeakPolarHBondContact O-CB 3.41Å; E120-L124 PolarHBondContact O-N 3.14Å; V121-L124 WeakPolarHBondContact O-CB 3.29Å; V121-L124 PolarHBondContact O-N 2.89Å; L124-R127 PolarHBondContact O-N 3.07Å; L124-T128 WeakPolarHBondContact O-CB 3.45Å; L124-T128 PolarHBondContact O-N 3.41Å; L124-T128 PolarHBondContact O-OG1 3.01Å
125	Y	98.7	Very high	98.3	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-74.4	-30.5	-178.9	-62.5	-33.9	0	0	0	114.1	W104 V105 E108 I109 V121 L122 S123 R127 T128 A129	W104-Y125 AromaticContact CH2-CD1 3.85Å; W104-Y125 HydrophobicContact CH2-CD1 3.85Å; W104-Y125 AromaticContact CH2-CE1 3.33Å; W104-Y125 HydrophobicContact CH2-CE1 3.33Å; W104-Y125 HydrophobicContact CZ2-CD1 4.33Å; W104-Y125 AromaticContact CZ2-CE1 3.38Å; W104-Y125 HydrophobicContact CZ2-CE1 3.38Å; W104-Y125 AromaticContact CZ2-CZ 3.77Å; W104-Y125 HydrophobicContact CZ3-CD1 4.29Å; W104-Y125 HydrophobicContact CZ3-CE1 4.07Å; V105-Y125 HydrophobicContact CB-CD2 4.37Å; V105-Y125 HydrophobicContact CG1-CD2 3.93Å; V105-Y125 HydrophobicContact CG1-CG 4.43Å; V105-Y125 HydrophobicContact CG2-CD2 4.35Å; V105-Y125 HydrophobicContact CG2-CG 4.36Å; E108-Y125 HydrophobicContact CB-CE2 3.77Å; E108-Y125 WeakPolarHBondContact CB-OH 3.46Å; E108-Y125 VanDerWaalsContact CG-OH 3.24Å; E108-Y125 WeakPolarHBondContact CG-OH 3.2Å; I109-Y125 HydrophobicContact CD1-CD2 4.07Å; I109-Y125 HydrophobicContact CG1-CD2 3.97Å; I109-Y125 HydrophobicContact CG1-CE2 4.11Å; V121-Y125 HydrophobicContact CG1-CD2 3.93Å; V121-Y125 HydrophobicContact CG1-CE2 3.34Å; V121-Y125 WeakPolarHBondContact O-CD2 3.38Å; V121-Y125 PolarHBondContact O-N 2.97Å; V121-Y125 VanDerWaalsContact O-N 3.09Å; L122-Y125 PolarHBondContact O-N 2.56Å; S123-Y125 VanDerWaalsContact C-N 3.34Å; S123-Y125 PolarHBondContact O-N 3.17Å; Y125-R127 VanDerWaalsContact C-N 3.34Å; Y125-T128 PolarHBondContact O-N 3.36Å; Y125-A129 WeakPolarHBondContact O-CB 3.27Å; Y125-A129 PolarHBondContact O-N 3.32Å
126	I	98.9	Very high	98.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-45.9	168.3	-68.3	166.2	0	0	0	110.3	L122 S123 T128 A129 K130 L148 W160 L163 D167 T170 F171	L122-I126 HydrophobicContact CG-CD1 4.36Å; L122-I126 WeakPolarHBondContact O-CG1 3.28Å; L122-I126 PolarHBondContact O-N 2.78Å; L122-I126 VanDerWaalsContact O-N 3.12Å; S123-I126 PolarHBondContact O-N 3.42Å; I126-T128 VanDerWaalsContact C-N 3.3Å; I126-T128 PolarHBondContact O-N 3.11Å; I126-A129 PolarHBondContact O-N 3.07Å; I126-K130 PolarHBondContact O-N 2.85Å; I126-L148 HydrophobicContact CG1-CD1 3.71Å; I126-W160 HydrophobicContact CD1-CZ3 4.21Å; I126-L163 HydrophobicContact CD1-CD1 3.55Å; I126-L163 HydrophobicContact CD1-CD2 4.42Å; I126-D167 HydrophobicContact CG2-CB 4.48Å; I126-D167 WeakPolarHBondContact CG2-O 3.37Å; I126-T170 HydrophobicContact CG2-CG2 3.96Å; I126-F171 HydrophobicContact CD1-CB 4.04Å; I126-F171 HydrophobicContact CG1-CB 4.17Å; I126-F171 HydrophobicContact CG1-CD2 4.3Å; I126-F171 HydrophobicContact CG2-CB 4.06Å
127	R	98.8	Very high	98.3	Very high	111 Å²	111	29 Å²	29	42%	0.419	14%	0.138	S	C	.	.	H	α-helix	trans	-66.3	-33.6	177.1	-70.5	-177.9	-74	160.1	-3.1	112.3	P51 S123 L124 Y125 K130 K131	P51-R127 HydrophobicContact CB-CB 3.92Å; P51-R127 HydrophobicContact CG-CB 3.76Å; S123-R127 WeakPolarHBondContact O-CG 3.45Å; S123-R127 PolarHBondContact O-N 3.34Å; S123-R127 PolarHBondContact O-NE 2.97Å; S123-R127 PolarHBondContact OG-NE 3.21Å; L124-R127 PolarHBondContact O-N 3.07Å; Y125-R127 VanDerWaalsContact C-N 3.34Å; R127-K130 WeakPolarHBondContact O-CB 3.34Å; R127-K130 PolarHBondContact O-N 2.99Å; R127-K131 PolarHBondContact O-N 3.33Å
128	T	98.9	Very high	98.3	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-66.1	-45.9	174.7	-56.7	0	0	0	0	110.4	A55 I58 L124 Y125 I126 K130 K131 L132	A55-T128 HydrophobicContact CB-CG2 4.42Å; I58-T128 HydrophobicContact CD1-CG2 4.49Å; L124-T128 WeakPolarHBondContact O-CB 3.45Å; L124-T128 PolarHBondContact O-N 3.41Å; L124-T128 PolarHBondContact O-OG1 3.01Å; Y125-T128 PolarHBondContact O-N 3.36Å; I126-T128 VanDerWaalsContact C-N 3.3Å; I126-T128 PolarHBondContact O-N 3.11Å; T128-K130 VanDerWaalsContact C-N 3.28Å; T128-K130 PolarHBondContact O-N 3.42Å; T128-K131 PolarHBondContact O-N 2.85Å; T128-K131 VanDerWaalsContact O-N 3.09Å; T128-L132 HydrophobicContact CG2-CD1 4.27Å; T128-L132 WeakPolarHBondContact O-CG 3.48Å; T128-L132 PolarHBondContact O-N 2.62Å
129	A	98.8	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60	-37.7	174.3	0	0	0	0	0	112.2	Y125 I126 L132 C133 V144 L174	Y125-A129 WeakPolarHBondContact O-CB 3.27Å; Y125-A129 PolarHBondContact O-N 3.32Å; I126-A129 PolarHBondContact O-N 3.07Å; A129-L132 PolarHBondContact O-N 3.44Å; A129-C133 WeakPolarHBondContact O-CB 3.36Å; A129-C133 PolarHBondContact O-N 3.14Å; A129-V144 HydrophobicContact CB-CB 4.08Å; A129-V144 HydrophobicContact CB-CG1 3.8Å; A129-L174 HydrophobicContact CB-CD1 3.66Å
130	K	98.8	Very high	98.3	Very high	85 Å²	85	25.1 Å²	25.1	37%	0.37	12%	0.117	S	C	.	.	H	α-helix	trans	-61.1	-46.8	172.4	-167.3	-150.2	168.7	-59.5	0	111.5	I126 R127 T128 C133 D134 T170 L174	I126-K130 PolarHBondContact O-N 2.85Å; R127-K130 WeakPolarHBondContact O-CB 3.34Å; R127-K130 PolarHBondContact O-N 2.99Å; T128-K130 VanDerWaalsContact C-N 3.28Å; T128-K130 PolarHBondContact O-N 3.42Å; K130-C133 WeakPolarHBondContact O-CB 3.48Å; K130-C133 PolarHBondContact O-N 2.79Å; K130-C133 VanDerWaalsContact O-N 3.13Å; K130-D134 IonicContact NZ-OD1 2.92Å; K130-D134 PolarHBondContact NZ-OD1 2.73Å; K130-D134 IonicContact NZ-OD2 3.29Å; K130-D134 PolarHBondContact NZ-OD2 3.11Å; K130-D134 VanDerWaalsContact O-CG 3.26Å; K130-D134 PolarHBondContact O-N 3.12Å; K130-T170 HydrophobicContact CB-CG2 3.8Å; K130-T170 HydrophobicContact CD-CG2 4.23Å; K130-T170 HydrophobicContact CG-CG2 3.93Å; K130-L174 HydrophobicContact CB-CD1 4.49Å
131	K	98.7	Very high	98.3	Very high	67 Å²	67	21.2 Å²	21.2	29%	0.291	10%	0.099	S	C	.	.	H	α-helix	trans	-64.2	-39.2	177.8	-73.5	-68.5	-174.3	161.1	0	112.5	P51 E52 A55 R127 T128 C133 D134 M135	P51-K131 HydrophobicContact CB-CG 4.31Å; E52-K131 HydrophobicContact CB-CD 4.3Å; E52-K131 HydrophobicContact CB-CG 4.38Å; E52-K131 HydrophobicContact CG-CD 4.48Å; E52-K131 WeakPolarHBondContact OE2-CE 3.44Å; E52-K131 IonicContact OE2-NZ 2.71Å; E52-K131 PolarHBondContact OE2-NZ 3.11Å; A55-K131 HydrophobicContact CB-CB 3.56Å; R127-K131 PolarHBondContact O-N 3.33Å; T128-K131 PolarHBondContact O-N 2.85Å; T128-K131 VanDerWaalsContact O-N 3.09Å; K131-C133 VanDerWaalsContact C-N 3.26Å; K131-C133 PolarHBondContact O-N 3.1Å; K131-D134 PolarHBondContact O-N 3.03Å; K131-M135 VanDerWaalsContact O-CG 3.27Å; K131-M135 WeakPolarHBondContact O-CG 3.36Å; K131-M135 PolarHBondContact O-N 2.75Å
132	L	98.7	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59	-39.1	171.3	-72	167.1	0	0	0	111.8	A55 I58 T128 A129 M135 N136 N137 A140 V141 V144	A55-L132 HydrophobicContact CB-CD2 3.83Å; A55-L132 HydrophobicContact CB-CG 3.79Å; A55-L132 WeakPolarHBondContact O-CD2 3.4Å; I58-L132 HydrophobicContact CB-CD2 4.24Å; I58-L132 HydrophobicContact CG2-CD2 4.11Å; T128-L132 HydrophobicContact CG2-CD1 4.27Å; T128-L132 WeakPolarHBondContact O-CG 3.48Å; T128-L132 PolarHBondContact O-N 2.62Å; A129-L132 PolarHBondContact O-N 3.44Å; L132-M135 CarbonylContact O-C 3.56Å; L132-M135 PolarHBondContact O-N 3.21Å; L132-N136 PolarHBondContact O-N 3.36Å; L132-N137 HydrophobicContact CD2-CB 4.15Å; L132-N137 PolarHBondContact O-N 2.97Å; L132-A140 HydrophobicContact CD1-CB 3.67Å; L132-A140 HydrophobicContact CD2-CB 3.81Å; L132-A140 HydrophobicContact CG-CB 4.26Å; L132-V141 HydrophobicContact CB-CG2 3.58Å; L132-V144 HydrophobicContact CD1-CG2 4.02Å
133	C	97.9	Very high	98.3	Very high	18 Å²	18	21.6 Å²	21.6	12%	0.122	10%	0.101	C	C	.	.	H	α-helix	trans	-68.1	-40.2	175.6	-167.3	0	0	0	0	112	A129 K130 K131 M135 N136 V141 L174	A129-C133 WeakPolarHBondContact O-CB 3.36Å; A129-C133 PolarHBondContact O-N 3.14Å; K130-C133 WeakPolarHBondContact O-CB 3.48Å; K130-C133 PolarHBondContact O-N 2.79Å; K130-C133 VanDerWaalsContact O-N 3.13Å; K131-C133 VanDerWaalsContact C-N 3.26Å; K131-C133 PolarHBondContact O-N 3.1Å; C133-M135 PolarHBondContact O-N 3.31Å; C133-N136 PolarHBondContact O-N 3.15Å; C133-V141 HydrophobicContact CB-CG2 3.81Å; C133-V141 VanDerWaalsContact N-CG2 3.3Å; C133-L174 HydrophobicContact CB-CD2 3.88Å
134	D	96.3	Very high	98.3	Very high	86 Å²	86	21 Å²	21	46%	0.46	10%	0.097	S	C	.	.	H	α-helix	trans	-62	-29.8	175.1	-60	-23	0	0	0	111.4	K130 K131 N136	K130-D134 IonicContact NZ-OD1 2.92Å; K130-D134 PolarHBondContact NZ-OD1 2.73Å; K130-D134 IonicContact NZ-OD2 3.29Å; K130-D134 PolarHBondContact NZ-OD2 3.11Å; K130-D134 VanDerWaalsContact O-CG 3.26Å; K130-D134 PolarHBondContact O-N 3.12Å; K131-D134 PolarHBondContact O-N 3.03Å; D134-N136 VanDerWaalsContact C-N 3.35Å
135	M	96.1	Very high	98.2	Very high	41 Å²	41	20.8 Å²	20.8	20%	0.202	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	4.8	175.8	-62.2	171.4	75.7	0	0	113.8	A55 T59 K131 L132 C133 N137 Y249 I251	A55-M135 HydrophobicContact CB-SD 3.82Å; T59-M135 HydrophobicContact CG2-CE 4.09Å; K131-M135 VanDerWaalsContact O-CG 3.27Å; K131-M135 WeakPolarHBondContact O-CG 3.36Å; K131-M135 PolarHBondContact O-N 2.75Å; L132-M135 CarbonylContact O-C 3.56Å; L132-M135 PolarHBondContact O-N 3.21Å; C133-M135 PolarHBondContact O-N 3.31Å; M135-N137 PolarHBondContact O-N 3.32Å; M135-N137 VanDerWaalsContact O-N 3.12Å; M135-Y249 HydrophobicContact CB-CE1 4.48Å; M135-Y249 VanDerWaalsContact O-CE1 3.29Å; M135-Y249 WeakPolarHBondContact O-CE1 3.47Å; M135-Y249 PolarHBondContact O-OH 3.49Å; M135-I251 HydrophobicContact CE-CD1 3.13Å; M135-I251 HydrophobicContact CE-CG1 3.98Å
136	N	96.9	Very high	98.2	Very high	15 Å²	15	20.9 Å²	20.9	8%	0.08	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	29.2	-174.2	-59	-44.5	0	0	0	114.5	L132 C133 D134 L138 V197 S198 C199 I200	L132-N136 PolarHBondContact O-N 3.36Å; C133-N136 PolarHBondContact O-N 3.15Å; D134-N136 VanDerWaalsContact C-N 3.35Å; N136-L138 VanDerWaalsContact C-N 3.27Å; N136-L138 PolarHBondContact O-N 3.07Å; N136-L138 VanDerWaalsContact O-N 3.13Å; N136-V197 WeakPolarHBondContact ND2-CG1 3.34Å; N136-S198 WeakPolarHBondContact CB-O 3.33Å; N136-C199 HydrophobicContact CB-CB 4.1Å; N136-C199 WeakPolarHBondContact O-CA 3.48Å; N136-I200 PolarHBondContact O-N 3.01Å
137	N	98.2	Very high	98.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-86.2	72.3	168.3	-176.5	-4.4	0	0	0	109.9	T59 D62 L132 M135 H139 A140 V141 I200	T59-N137 VanDerWaalsContact CA-ND2 3.34Å; T59-N137 WeakPolarHBondContact CA-ND2 3.41Å; T59-N137 HydrophobicContact CG2-CB 4.22Å; T59-N137 PolarHBondContact OG1-ND2 2.95Å; D62-N137 PolarHBondContact OD2-ND2 2.96Å; L132-N137 HydrophobicContact CD2-CB 4.15Å; L132-N137 PolarHBondContact O-N 2.97Å; M135-N137 PolarHBondContact O-N 3.32Å; M135-N137 VanDerWaalsContact O-N 3.12Å; N137-H139 PolarHBondContact O-N 2.84Å; N137-A140 WeakPolarHBondContact ND2-CB 3.42Å; N137-A140 PolarHBondContact O-N 2.74Å; N137-A140 PolarHBondContact OD1-N 3.33Å; N137-A140 VanDerWaalsContact OD1-N 3.11Å; N137-V141 WeakPolarHBondContact O-CG2 3.4Å; N137-V141 PolarHBondContact O-N 3.44Å; N137-V141 VanDerWaalsContact O-N 3.07Å; N137-I200 HydrophobicContact CB-CD1 4.47Å
138	L	98.3	Very high	98.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67.6	-26.5	-175.3	-55.6	174.2	0	0	0	112.3	N136 M142 M178 L187 F190 I191 I200	N136-L138 VanDerWaalsContact C-N 3.27Å; N136-L138 PolarHBondContact O-N 3.07Å; N136-L138 VanDerWaalsContact O-N 3.13Å; L138-M142 WeakPolarHBondContact O-CB 3.33Å; L138-M142 PolarHBondContact O-N 2.9Å; L138-M178 HydrophobicContact CB-CE 4.45Å; L138-M178 HydrophobicContact CD2-CE 3.68Å; L138-L187 HydrophobicContact CB-CD1 4.38Å; L138-L187 HydrophobicContact CD1-CD1 3.9Å; L138-L187 HydrophobicContact CD2-CD1 4.34Å; L138-L187 HydrophobicContact CG-CD1 4.43Å; L138-F190 HydrophobicContact CD1-CD1 3.93Å; L138-F190 HydrophobicContact CD1-CE1 4.09Å; L138-F190 HydrophobicContact CD2-CD1 4.13Å; L138-F190 HydrophobicContact CD2-CE1 3.76Å; L138-F190 HydrophobicContact CG-CE1 4.46Å; L138-I191 HydrophobicContact CD1-CD1 3.85Å; L138-I191 HydrophobicContact CD1-CG1 3.39Å; L138-I200 PolarHBondContact N-O 3.23Å
139	H	98.3	Very high	98	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-55.8	-54.3	170.8	179.9	81.1	0	0	0	111.7	F94 F98 N137 M142 A143 I200 P201	F94-H139 AromaticContact CD1-CE1 3.61Å; F94-H139 AromaticContact CD1-ND1 3.8Å; F94-H139 HydrophobicContact CE1-CB 4.26Å; F94-H139 AromaticContact CE1-CE1 3.42Å; F94-H139 VanDerWaalsContact CE1-CE1 3.42Å; F94-H139 WeakPolarHBondContact CE1-CE1 3.41Å; F94-H139 AromaticContact CE1-CG 3.67Å; F94-H139 AromaticContact CE1-ND1 3.16Å; F94-H139 WeakPolarHBondContact CE1-ND1 3.35Å; F94-H139 AromaticContact CE2-CD2 3.87Å; F94-H139 AromaticContact CE2-NE2 3.89Å; F94-H139 HydrophobicContact CZ-CB 3.8Å; F94-H139 AromaticContact CZ-CD2 3.65Å; F94-H139 AromaticContact CZ-CE1 3.62Å; F94-H139 AromaticContact CZ-CG 3.34Å; F94-H139 AromaticContact CZ-ND1 3.36Å; F94-H139 WeakPolarHBondContact CZ-ND1 3.47Å; F94-H139 AromaticContact CZ-NE2 3.85Å; F94-H139 PolarHBondContact O-CE1 3Å; F94-H139 PolarHBondContact O-NE2 3.45Å; F98-H139 AromaticContact CD2-CE1 3.83Å; F98-H139 PolarHBondContact N-NE2 2.7Å; N137-H139 PolarHBondContact O-N 2.84Å; H139-M142 PolarHBondContact O-N 3.01Å; H139-A143 PolarHBondContact O-N 3.21Å; H139-A143 VanDerWaalsContact O-N 3.1Å; H139-I200 HydrophobicContact CB-CG2 3.78Å; H139-I200 PolarHBondContact N-O 3.05Å; H139-I200 VanDerWaalsContact N-O 3.17Å; H139-P201 WeakPolarHBondContact CB-O 3.37Å
140	A	98.6	Very high	97.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-73.1	-33.4	-179.2	0	0	0	0	0	112.7	I58 L132 N137 M142 A143 V144	I58-A140 HydrophobicContact CG2-CB 3.63Å; L132-A140 HydrophobicContact CD1-CB 3.67Å; L132-A140 HydrophobicContact CD2-CB 3.81Å; L132-A140 HydrophobicContact CG-CB 4.26Å; N137-A140 WeakPolarHBondContact ND2-CB 3.42Å; N137-A140 PolarHBondContact O-N 2.74Å; N137-A140 PolarHBondContact OD1-N 3.33Å; N137-A140 VanDerWaalsContact OD1-N 3.11Å; A140-M142 VanDerWaalsContact C-N 3.31Å; A140-M142 PolarHBondContact O-N 2.86Å; A140-A143 WeakPolarHBondContact O-CB 3.49Å; A140-A143 PolarHBondContact O-N 2.83Å; A140-V144 WeakPolarHBondContact O-CG2 3.48Å; A140-V144 PolarHBondContact O-N 3.27Å
141	V	98.7	Very high	97.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-56.7	-49.6	172.2	179.5	0	0	0	0	110	L132 C133 N137 A143 V144 V145 L174 M178	L132-V141 HydrophobicContact CB-CG2 3.58Å; C133-V141 HydrophobicContact CB-CG2 3.81Å; C133-V141 VanDerWaalsContact N-CG2 3.3Å; N137-V141 WeakPolarHBondContact O-CG2 3.4Å; N137-V141 PolarHBondContact O-N 3.44Å; N137-V141 VanDerWaalsContact O-N 3.07Å; V141-A143 VanDerWaalsContact C-N 3.3Å; V141-A143 PolarHBondContact O-N 2.98Å; V141-V144 PolarHBondContact O-N 3.48Å; V141-V145 HydrophobicContact CG1-CG2 4.16Å; V141-V145 WeakPolarHBondContact O-CB 3.35Å; V141-V145 VanDerWaalsContact O-CG2 3.31Å; V141-V145 WeakPolarHBondContact O-CG2 3.39Å; V141-V145 PolarHBondContact O-N 3.49Å; V141-L174 HydrophobicContact CG1-CD2 4.03Å; V141-M178 HydrophobicContact CB-CE 3.82Å; V141-M178 HydrophobicContact CB-SD 4.39Å; V141-M178 HydrophobicContact CG1-CE 3.45Å; V141-M178 VanDerWaalsContact CG1-CE 3.45Å; V141-M178 HydrophobicContact CG1-CG 3.89Å; V141-M178 HydrophobicContact CG1-SD 4.04Å
142	M	98.3	Very high	97.6	Very high	10 Å²	10	10.3 Å²	10.3	5%	0.049	6%	0.057	C	C	.	.	H	α-helix	trans	-60.5	-39.7	177.6	-177.8	66.9	74.8	0	0	111.7	F98 L138 H139 A140 S146 M178 Y184 L187 Y202	F98-M142 HydrophobicContact CE2-CB 3.9Å; F98-M142 HydrophobicContact CE2-CG 3.66Å; F98-M142 HydrophobicContact CZ-CG 3.89Å; L138-M142 WeakPolarHBondContact O-CB 3.33Å; L138-M142 PolarHBondContact O-N 2.9Å; H139-M142 PolarHBondContact O-N 3.01Å; A140-M142 VanDerWaalsContact C-N 3.31Å; A140-M142 PolarHBondContact O-N 2.86Å; M142-S146 WeakPolarHBondContact O-CB 3.35Å; M142-S146 PolarHBondContact O-N 2.87Å; M142-S146 PolarHBondContact O-OG 2.85Å; M142-M178 HydrophobicContact CB-SD 4.25Å; M142-M178 HydrophobicContact CE-CB 3.8Å; M142-M178 HydrophobicContact CE-CG 4.35Å; M142-M178 WeakPolarHBondContact CE-O 3.46Å; M142-M178 HydrophobicContact CE-SD 3.87Å; M142-M178 HydrophobicContact SD-CB 4.05Å; M142-Y184 HydrophobicContact CE-CD1 4.12Å; M142-Y184 HydrophobicContact CE-CE1 3.75Å; M142-L187 HydrophobicContact CE-CD2 4.07Å; M142-Y202 HydrophobicContact CB-CD2 3.86Å; M142-Y202 HydrophobicContact CB-CE2 4.37Å; M142-Y202 HydrophobicContact CB-CG 4.18Å; M142-Y202 HydrophobicContact CE-CD1 3.87Å; M142-Y202 HydrophobicContact CE-CE1 4.08Å; M142-Y202 HydrophobicContact CE-CG 4.14Å; M142-Y202 HydrophobicContact CG-CD1 4.43Å; M142-Y202 HydrophobicContact CG-CD2 3.59Å; M142-Y202 HydrophobicContact CG-CE1 4.47Å; M142-Y202 HydrophobicContact CG-CE2 3.61Å; M142-Y202 HydrophobicContact CG-CG 4.01Å
143	A	98.3	Very high	97.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.7	-46.7	177	0	0	0	0	0	112.3	F98 T101 S102 H139 A140 V141 G147	F98-A143 HydrophobicContact CD1-CB 4.46Å; F98-A143 HydrophobicContact CD2-CB 3.68Å; F98-A143 HydrophobicContact CE1-CB 4.49Å; F98-A143 HydrophobicContact CE2-CB 3.76Å; F98-A143 VanDerWaalsContact CE2-N 3.33Å; F98-A143 HydrophobicContact CG-CB 4.06Å; F98-A143 HydrophobicContact CZ-CB 4.17Å; T101-A143 HydrophobicContact CG2-CB 3.91Å; S102-A143 WeakPolarHBondContact CB-O 3.42Å; H139-A143 PolarHBondContact O-N 3.21Å; H139-A143 VanDerWaalsContact O-N 3.1Å; A140-A143 WeakPolarHBondContact O-CB 3.49Å; A140-A143 PolarHBondContact O-N 2.83Å; V141-A143 VanDerWaalsContact C-N 3.3Å; V141-A143 PolarHBondContact O-N 2.98Å; A143-G147 PolarHBondContact O-N 3.09Å
144	V	98.7	Very high	97.5	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-66.6	-49.1	179	177.6	0	0	0	0	110.7	T101 V105 A129 L132 A140 V141 S146 G147 L148	T101-V144 HydrophobicContact CG2-CG2 4.06Å; V105-V144 HydrophobicContact CG2-CB 4.4Å; V105-V144 HydrophobicContact CG2-CG1 4.11Å; V105-V144 HydrophobicContact CG2-CG2 4.04Å; A129-V144 HydrophobicContact CB-CB 4.08Å; A129-V144 HydrophobicContact CB-CG1 3.8Å; L132-V144 HydrophobicContact CD1-CG2 4.02Å; A140-V144 WeakPolarHBondContact O-CG2 3.48Å; A140-V144 PolarHBondContact O-N 3.27Å; V141-V144 PolarHBondContact O-N 3.48Å; V144-S146 VanDerWaalsContact C-N 3.29Å; V144-S146 PolarHBondContact O-N 3.45Å; V144-G147 PolarHBondContact O-N 3.36Å; V144-G147 VanDerWaalsContact O-N 3.11Å; V144-L148 HydrophobicContact CG1-CD1 4.17Å; V144-L148 HydrophobicContact CG1-CG 4.33Å; V144-L148 WeakPolarHBondContact O-CG 3.27Å; V144-L148 PolarHBondContact O-N 3.04Å
145	V	98.4	Very high	97.5	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	6%	0.059	C	C	.	.	H	α-helix	trans	-58	-43.8	178.1	172	0	0	0	0	110.6	V141 G147 L148 Q149 L174 M178	V141-V145 HydrophobicContact CG1-CG2 4.16Å; V141-V145 WeakPolarHBondContact O-CB 3.35Å; V141-V145 VanDerWaalsContact O-CG2 3.31Å; V141-V145 WeakPolarHBondContact O-CG2 3.39Å; V141-V145 PolarHBondContact O-N 3.49Å; V145-G147 VanDerWaalsContact C-N 3.35Å; V145-G147 PolarHBondContact O-N 3.32Å; V145-L148 PolarHBondContact O-N 3.36Å; V145-Q149 HydrophobicContact CG1-CG 4.33Å; V145-Q149 WeakPolarHBondContact O-CB 3.48Å; V145-Q149 WeakPolarHBondContact O-CG 3.34Å; V145-Q149 PolarHBondContact O-N 3.43Å; V145-L174 HydrophobicContact CG2-CB 4.03Å; V145-M178 HydrophobicContact CG2-CG 4.48Å
146	S	97.1	Very high	97.6	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.021	5%	0.05	C	C	.	.	H	α-helix	trans	-60.6	-41.2	175.8	-68	0	0	0	0	112.9	M142 V144 Q149 S150	M142-S146 WeakPolarHBondContact O-CB 3.35Å; M142-S146 PolarHBondContact O-N 2.87Å; M142-S146 PolarHBondContact O-OG 2.85Å; V144-S146 VanDerWaalsContact C-N 3.29Å; V144-S146 PolarHBondContact O-N 3.45Å; S146-Q149 PolarHBondContact O-N 3.34Å; S146-S150 PolarHBondContact O-N 3.43Å; S146-S150 VanDerWaalsContact O-N 3.1Å
147	G	97.4	Very high	97.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.8	-44.1	174.3	0	0	0	0	0	112.3	S102 A143 V144 V145 Q149 S150	S102-G147 WeakPolarHBondContact OG-CA 3.41Å; S102-G147 PolarHBondContact OG-N 3.38Å; A143-G147 PolarHBondContact O-N 3.09Å; V144-G147 PolarHBondContact O-N 3.36Å; V144-G147 VanDerWaalsContact O-N 3.11Å; V145-G147 VanDerWaalsContact C-N 3.35Å; V145-G147 PolarHBondContact O-N 3.32Å; G147-Q149 PolarHBondContact O-N 3.45Å; G147-S150 VanDerWaalsContact O-CB 3.27Å; G147-S150 WeakPolarHBondContact O-CB 3.48Å; G147-S150 PolarHBondContact O-N 3Å; G147-S150 PolarHBondContact O-OG 2.93Å
148	L	98.1	Very high	97.6	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-66.8	-34.6	177.8	-65.6	-177.4	0	0	0	113.1	V105 I109 L122 I126 V144 V145 S150 I153 W160 F171	V105-L148 HydrophobicContact CG1-CD2 3.75Å; V105-L148 HydrophobicContact CG1-CG 4.22Å; I109-L148 HydrophobicContact CD1-CD2 3.59Å; L122-L148 HydrophobicContact CD1-CD2 3.47Å; L122-L148 VanDerWaalsContact CD1-CD2 3.47Å; I126-L148 HydrophobicContact CG1-CD1 3.71Å; V144-L148 HydrophobicContact CG1-CD1 4.17Å; V144-L148 HydrophobicContact CG1-CG 4.33Å; V144-L148 WeakPolarHBondContact O-CG 3.27Å; V144-L148 PolarHBondContact O-N 3.04Å; V145-L148 PolarHBondContact O-N 3.36Å; L148-S150 VanDerWaalsContact C-N 3.3Å; L148-I153 HydrophobicContact CD2-CG2 4.32Å; L148-I153 WeakPolarHBondContact O-CG2 3.25Å; L148-W160 HydrophobicContact CB-CH2 4.29Å; L148-W160 HydrophobicContact CB-CZ2 4.47Å; L148-F171 HydrophobicContact CB-CE2 3.7Å; L148-F171 HydrophobicContact CB-CZ 4.35Å; L148-F171 HydrophobicContact CD1-CD2 3.79Å; L148-F171 HydrophobicContact CD1-CE2 3.81Å; L148-F171 HydrophobicContact CG-CE2 4.42Å
149	Q	96.4	Very high	97.6	Very high	21 Å²	21	21.3 Å²	21.3	10%	0.098	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.5	176.8	-70.1	-172.2	-42.2	0	0	114.2	V145 S146 G147 F171 D175	V145-Q149 HydrophobicContact CG1-CG 4.33Å; V145-Q149 WeakPolarHBondContact O-CB 3.48Å; V145-Q149 WeakPolarHBondContact O-CG 3.34Å; V145-Q149 PolarHBondContact O-N 3.43Å; S146-Q149 PolarHBondContact O-N 3.34Å; G147-Q149 PolarHBondContact O-N 3.45Å; Q149-F171 HydrophobicContact CG-CE2 4.48Å; Q149-F171 HydrophobicContact CG-CZ 3.85Å; Q149-D175 PolarHBondContact NE2-OD1 2.82Å; Q149-D175 PolarHBondContact NE2-OD2 2.95Å
150	S	96.1	Very high	97.6	Very high	1 Å²	1	23 Å²	23	1%	0.007	11%	0.112	C	C	.	.	S	Bend	trans	-63.4	148.1	178.6	71.2	0	0	0	0	112	S146 G147 L148 P152 I153 F154 C341	S146-S150 PolarHBondContact O-N 3.43Å; S146-S150 VanDerWaalsContact O-N 3.1Å; G147-S150 VanDerWaalsContact O-CB 3.27Å; G147-S150 WeakPolarHBondContact O-CB 3.48Å; G147-S150 PolarHBondContact O-N 3Å; G147-S150 PolarHBondContact O-OG 2.93Å; L148-S150 VanDerWaalsContact C-N 3.3Å; S150-P152 VanDerWaalsContact C-CD 3.44Å; S150-P152 VanDerWaalsContact C-N 3.35Å; S150-I153 PolarHBondContact O-N 2.8Å; S150-F154 WeakPolarHBondContact O-CB 3.39Å; S150-F154 PolarHBondContact O-N 3.12Å; S150-C341 WeakPolarHBondContact CB-SG 3.37Å
151	A	94.9	Very high	97.6	Very high	15 Å²	15	26.1 Å²	26.1	12%	0.124	14%	0.137	C	C	.	.	H	α-helix	trans	-46.2	-46	179.6	0	0	0	0	0	114.9	I153 R155 Y279 R339	A151-I153 VanDerWaalsContact C-N 3.3Å; A151-I153 PolarHBondContact O-N 2.96Å; A151-R155 VanDerWaalsContact O-CG 3.23Å; A151-R155 WeakPolarHBondContact O-CG 3.42Å; A151-Y279 HydrophobicContact CB-CD2 4.02Å; A151-Y279 HydrophobicContact CB-CE2 4.11Å; A151-R339 WeakPolarHBondContact CA-O 3.3Å; A151-R339 VanDerWaalsContact CB-O 3.23Å; A151-R339 WeakPolarHBondContact CB-O 3.41Å; A151-R339 PolarHBondContact N-O 3.41Å
152	P	96.9	Very high	97.6	Very high	3 Å²	3	31 Å²	31	2%	0.019	16%	0.162	C	C	.	.	H	α-helix	trans	-66.3	-27.6	179	24.1	-34.4	0	0	0	114	V106 L110 S150 L156 N278 S282	V106-P152 HydrophobicContact CG1-CG 4.01Å; L110-P152 HydrophobicContact CD1-CB 4.08Å; L110-P152 HydrophobicContact CD2-CB 4.46Å; S150-P152 VanDerWaalsContact C-CD 3.44Å; S150-P152 VanDerWaalsContact C-N 3.35Å; P152-L156 WeakPolarHBondContact O-CG 3.46Å; P152-N278 HydrophobicContact CB-CB 4.29Å; P152-N278 WeakPolarHBondContact CB-O 3.34Å; P152-N278 HydrophobicContact CG-CB 4.2Å; P152-S282 VanDerWaalsContact O-CB 3.24Å; P152-S282 WeakPolarHBondContact O-CB 3.49Å; P152-S282 PolarHBondContact O-OG 2.95Å
153	I	98.3	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-94.5	-45.1	-178.4	-55.5	-53.8	0	0	0	111.6	V106 I109 L110 L122 L148 S150 A151 R155 L156 W160	V106-I153 HydrophobicContact CB-CD1 4.48Å; V106-I153 HydrophobicContact CB-CG1 4.35Å; V106-I153 HydrophobicContact CG1-CD1 4.11Å; V106-I153 HydrophobicContact CG1-CG1 4.21Å; V106-I153 HydrophobicContact CG2-CG1 3.94Å; I109-I153 HydrophobicContact CB-CD1 3.87Å; I109-I153 HydrophobicContact CD1-CD1 4.27Å; I109-I153 HydrophobicContact CD1-CG2 4.08Å; I109-I153 HydrophobicContact CG2-CD1 3.77Å; L110-I153 HydrophobicContact CD2-CD1 3.82Å; L110-I153 HydrophobicContact CG-CD1 3.83Å; L122-I153 HydrophobicContact CD1-CG2 4.2Å; L148-I153 HydrophobicContact CD2-CG2 4.32Å; L148-I153 WeakPolarHBondContact O-CG2 3.25Å; S150-I153 PolarHBondContact O-N 2.8Å; A151-I153 VanDerWaalsContact C-N 3.3Å; A151-I153 PolarHBondContact O-N 2.96Å; I153-R155 PolarHBondContact O-N 2.84Å; I153-R155 VanDerWaalsContact O-N 3.14Å; I153-L156 HydrophobicContact CD1-CD1 4.25Å; I153-L156 WeakPolarHBondContact O-CB 3.45Å; I153-L156 WeakPolarHBondContact O-CG 3.5Å; I153-L156 PolarHBondContact O-N 3.46Å; I153-L156 VanDerWaalsContact O-N 3.07Å; I153-W160 HydrophobicContact CG2-CZ2 4.11Å; I153-W160 PolarHBondContact O-NE1 3.38Å
154	F	96.6	Very high	97.6	Very high	99 Å²	99	33.6 Å²	33.6	43%	0.434	18%	0.181	S	C	.	.	H	α-helix	trans	-58.1	-31.8	-177.2	-174.7	-102.4	0	0	0	112.9	S150 L156	S150-F154 WeakPolarHBondContact O-CB 3.39Å; S150-F154 PolarHBondContact O-N 3.12Å; F154-L156 VanDerWaalsContact C-N 3.33Å; F154-L156 PolarHBondContact O-N 3.12Å
155	R	96.9	Very high	97.6	Very high	52 Å²	52	44.5 Å²	44.5	20%	0.196	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.5	-179.9	71.8	176.9	-70.7	-68	-5.8	115.4	A151 I153 T157 S282 E286	A151-R155 VanDerWaalsContact O-CG 3.23Å; A151-R155 WeakPolarHBondContact O-CG 3.42Å; I153-R155 PolarHBondContact O-N 2.84Å; I153-R155 VanDerWaalsContact O-N 3.14Å; R155-T157 PolarHBondContact O-N 3.09Å; R155-T157 PolarHBondContact O-OG1 2.94Å; R155-S282 VanDerWaalsContact CD-OG 3.28Å; R155-S282 WeakPolarHBondContact CD-OG 3.46Å; R155-S282 WeakPolarHBondContact CG-OG 3.33Å; R155-S282 PolarHBondContact NH1-O 3.13Å; R155-S282 PolarHBondContact NH1-OG 3.32Å; R155-E286 PolarHBondContact NH1-O 2.74Å; R155-E286 PolarHBondContact NH2-O 3.49Å
156	L	97.7	Very high	97.6	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.256	C	S	.	.			trans	-76.9	62.9	-174.8	-61.4	176.7	0	0	0	111.5	I109 L110 P152 I153 F154 K158 T159 W160 S282 I285 E286	I109-L156 HydrophobicContact CG2-CD1 4.08Å; L110-L156 HydrophobicContact CD2-CD1 4.19Å; P152-L156 WeakPolarHBondContact O-CG 3.46Å; I153-L156 HydrophobicContact CD1-CD1 4.25Å; I153-L156 WeakPolarHBondContact O-CB 3.45Å; I153-L156 WeakPolarHBondContact O-CG 3.5Å; I153-L156 PolarHBondContact O-N 3.46Å; I153-L156 VanDerWaalsContact O-N 3.07Å; F154-L156 VanDerWaalsContact C-N 3.33Å; F154-L156 PolarHBondContact O-N 3.12Å; L156-K158 PolarHBondContact O-N 3.35Å; L156-K158 VanDerWaalsContact O-N 3.1Å; L156-T159 WeakPolarHBondContact O-CB 3.48Å; L156-T159 PolarHBondContact O-N 3.25Å; L156-W160 PolarHBondContact O-N 3.45Å; L156-S282 WeakPolarHBondContact CD2-OG 3.34Å; L156-I285 HydrophobicContact CD1-CD1 4.43Å; L156-I285 HydrophobicContact CD2-CD1 4.06Å; L156-I285 HydrophobicContact CD2-CG1 4.08Å; L156-E286 VanDerWaalsContact CA-OE2 3.29Å; L156-E286 WeakPolarHBondContact CA-OE2 3.36Å; L156-E286 HydrophobicContact CD2-CB 3.82Å; L156-E286 HydrophobicContact CD2-CG 3.96Å
157	T	97.8	Very high	97.6	Very high	109 Å²	109	52.9 Å²	52.9	67%	0.669	26%	0.259	S	S	*	.	H	α-helix	trans	-55.6	-35	-168.9	-30.9	0	0	0	0	112.6	R155 A161 E286	R155-T157 PolarHBondContact O-N 3.09Å; R155-T157 PolarHBondContact O-OG1 2.94Å; T157-A161 VanDerWaalsContact O-CB 3.31Å; T157-A161 WeakPolarHBondContact O-CB 3.39Å; T157-A161 PolarHBondContact O-N 3.02Å; T157-E286 PolarHBondContact N-OE2 2.86Å
158	K	98.1	Very high	97.7	Very high	130 Å²	130	56.4 Å²	56.4	57%	0.565	27%	0.274	S	S	*	.	H	α-helix	trans	-71.3	-40.5	178.7	-59.6	179.1	-178.3	176.6	0	110.9	L115 L156 A161 L162 E286	L115-K158 HydrophobicContact CD1-CB 4.08Å; L115-K158 HydrophobicContact CD2-CB 4.28Å; L156-K158 PolarHBondContact O-N 3.35Å; L156-K158 VanDerWaalsContact O-N 3.1Å; K158-A161 PolarHBondContact O-N 3.49Å; K158-L162 PolarHBondContact O-N 3.39Å; K158-E286 WeakPolarHBondContact CB-OE2 3.1Å; K158-E286 PolarHBondContact N-OE2 3.46Å; K158-E286 VanDerWaalsContact N-OE2 3.07Å
159	T	98.5	Very high	97.7	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-49.3	175.2	-56.7	0	0	0	0	111	R118 A119 L122 L156 A161 L162 E286	R118-T159 HydrophobicContact CB-CG2 4.41Å; R118-T159 HydrophobicContact CG-CG2 3.86Å; R118-T159 PolarHBondContact NE-OG1 3.44Å; R118-T159 PolarHBondContact NH2-OG1 3.27Å; A119-T159 HydrophobicContact CB-CG2 4.14Å; L122-T159 HydrophobicContact CB-CG2 4.27Å; L122-T159 HydrophobicContact CD2-CG2 3.7Å; L156-T159 WeakPolarHBondContact O-CB 3.48Å; L156-T159 PolarHBondContact O-N 3.25Å; T159-A161 VanDerWaalsContact C-N 3.27Å; T159-A161 PolarHBondContact O-N 2.91Å; T159-L162 PolarHBondContact O-N 2.91Å; T159-E286 PolarHBondContact N-OE1 3.41Å; T159-E286 PolarHBondContact OG1-OE1 3.3Å
160	W	98.4	Very high	97.8	Very high	37 Å²	37	60.3 Å²	60.3	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-34.1	177.5	-73.5	101.6	0	0	0	112.6	L122 I126 L148 I153 L156 L162 L163 K168 F171	L122-W160 HydrophobicContact CD1-CH2 4.13Å; L122-W160 HydrophobicContact CD1-CZ2 4.03Å; L122-W160 HydrophobicContact CD2-CD2 3.86Å; L122-W160 HydrophobicContact CD2-CE3 4.02Å; L122-W160 HydrophobicContact CD2-CG 4.3Å; L122-W160 HydrophobicContact CD2-CZ2 4.4Å; L122-W160 HydrophobicContact CD2-CZ3 4.34Å; I126-W160 HydrophobicContact CD1-CZ3 4.21Å; L148-W160 HydrophobicContact CB-CH2 4.29Å; L148-W160 HydrophobicContact CB-CZ2 4.47Å; I153-W160 HydrophobicContact CG2-CZ2 4.11Å; I153-W160 PolarHBondContact O-NE1 3.38Å; L156-W160 PolarHBondContact O-N 3.45Å; W160-L162 VanDerWaalsContact C-N 3.25Å; W160-L162 PolarHBondContact O-N 3.08Å; W160-L163 HydrophobicContact CD2-CD1 4.44Å; W160-L163 HydrophobicContact CE3-CD1 3.49Å; W160-L163 VanDerWaalsContact CE3-CD1 3.49Å; W160-L163 HydrophobicContact CZ3-CD1 3.78Å; W160-L163 PolarHBondContact O-N 3.23Å; W160-K168 WeakPolarHBondContact O-CE 3.36Å; W160-K168 PolarHBondContact O-NZ 3.18Å; W160-F171 HydrophobicContact CH2-CD1 4.17Å; W160-F171 HydrophobicContact CH2-CD2 4.23Å; W160-F171 AromaticContact CH2-CE1 3.95Å; W160-F171 HydrophobicContact CH2-CE1 3.95Å; W160-F171 HydrophobicContact CH2-CE2 4.03Å; W160-F171 HydrophobicContact CH2-CG 4.29Å; W160-F171 AromaticContact CH2-CZ 3.86Å; W160-F171 HydrophobicContact CH2-CZ 3.86Å; W160-F171 AromaticContact CZ3-CD1 3.93Å; W160-F171 HydrophobicContact CZ3-CD1 3.93Å; W160-F171 HydrophobicContact CZ3-CD2 4.5Å; W160-F171 HydrophobicContact CZ3-CE1 4.09Å; W160-F171 HydrophobicContact CZ3-CG 4.13Å; W160-F171 HydrophobicContact CZ3-CZ 4.44Å
161	A	98.1	Very high	97.9	Very high	65 Å²	65	61 Å²	61	54%	0.537	31%	0.305	S	S	.	.	H	α-helix	trans	-61.2	-34.2	177.5	0	0	0	0	0	112.6	T157 K158 T159 L163 K168	T157-A161 VanDerWaalsContact O-CB 3.31Å; T157-A161 WeakPolarHBondContact O-CB 3.39Å; T157-A161 PolarHBondContact O-N 3.02Å; K158-A161 PolarHBondContact O-N 3.49Å; T159-A161 VanDerWaalsContact C-N 3.27Å; T159-A161 PolarHBondContact O-N 2.91Å; A161-L163 VanDerWaalsContact C-N 3.31Å; A161-L163 PolarHBondContact O-N 3.16Å; A161-K168 PolarHBondContact O-NZ 3.47Å
162	L	98.4	Very high	98.1	Very high	101 Å²	101	64.8 Å²	64.8	53%	0.529	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.8	-179	-68	179.5	0	0	0	114.8	L115 A119 K158 T159 W160	L115-L162 HydrophobicContact CD1-CD1 4Å; L115-L162 HydrophobicContact CD2-CD1 4.03Å; L115-L162 HydrophobicContact CG-CD1 3.64Å; A119-L162 HydrophobicContact CB-CB 3.68Å; A119-L162 HydrophobicContact CB-CD1 3.98Å; A119-L162 HydrophobicContact CB-CG 4.49Å; K158-L162 PolarHBondContact O-N 3.39Å; T159-L162 PolarHBondContact O-N 2.91Å; W160-L162 VanDerWaalsContact C-N 3.25Å; W160-L162 PolarHBondContact O-N 3.08Å
163	L	98.4	Very high	98.2	Very high	11 Å²	11	74.1 Å²	74.1	6%	0.058	36%	0.358	C	S	.	.	S	Bend	trans	-66.4	143.6	176.3	-67.4	-178.5	0	0	0	111.9	L122 I126 W160 A161 K168	L122-L163 HydrophobicContact CB-CD2 4.31Å; L122-L163 HydrophobicContact CD2-CD1 3.72Å; L122-L163 HydrophobicContact CD2-CD2 3.95Å; L122-L163 HydrophobicContact CD2-CG 3.9Å; L122-L163 HydrophobicContact CG-CD1 4.19Å; L122-L163 HydrophobicContact CG-CD2 4.07Å; L122-L163 HydrophobicContact CG-CG 4.47Å; I126-L163 HydrophobicContact CD1-CD1 3.55Å; I126-L163 HydrophobicContact CD1-CD2 4.42Å; W160-L163 HydrophobicContact CD2-CD1 4.44Å; W160-L163 HydrophobicContact CE3-CD1 3.49Å; W160-L163 VanDerWaalsContact CE3-CD1 3.49Å; W160-L163 HydrophobicContact CZ3-CD1 3.78Å; W160-L163 PolarHBondContact O-N 3.23Å; A161-L163 VanDerWaalsContact C-N 3.31Å; A161-L163 PolarHBondContact O-N 3.16Å; L163-K168 HydrophobicContact CB-CD 4.41Å; L163-K168 HydrophobicContact CB-CG 3.81Å; L163-K168 HydrophobicContact CD1-CG 4.25Å; L163-K168 WeakPolarHBondContact O-CE 3.49Å
164	S	98.3	Very high	98.2	Very high	54 Å²	54	74.6 Å²	74.6	38%	0.378	36%	0.361	S	S	.	.			trans	-60.9	154.6	170.2	76.3	0	0	0	0	111.1	K166 D167 K168	S164-K166 PolarHBondContact O-N 3.33Å; S164-D167 PolarHBondContact O-N 3.12Å; S164-D167 WeakPolarHBondContact OG-CB 3.3Å; S164-D167 PolarHBondContact OG-N 2.71Å; S164-D167 VanDerWaalsContact OG-N 3.08Å; S164-D167 PolarHBondContact OG-OD2 3.14Å; S164-K168 PolarHBondContact O-N 3.27Å
165	R	98.1	Very high	98.2	Very high	231 Å²	231	72 Å²	72	87%	0.872	35%	0.352	S	S	*	.	H	α-helix	trans	-58.9	-35	174.4	-68.1	-173.1	-176.3	-164.8	1.8	112	S169	R165-S169 WeakPolarHBondContact O-CB 3.37Å; R165-S169 PolarHBondContact O-N 2.94Å
166	K	98.4	Very high	98.2	Very high	163 Å²	163	76.5 Å²	76.5	71%	0.709	37%	0.37	S	S	*	.	H	α-helix	trans	-64	-46.3	178	-176.1	179.1	179.8	178.4	0	111.5	S164 S169 T170	S164-K166 PolarHBondContact O-N 3.33Å; K166-S169 PolarHBondContact O-N 3.06Å; K166-T170 WeakPolarHBondContact O-CB 3.48Å; K166-T170 PolarHBondContact O-N 3.22Å; K166-T170 PolarHBondContact O-OG1 3.06Å
167	D	98.5	Very high	98.2	Very high	16 Å²	16	77.7 Å²	77.7	9%	0.086	38%	0.376	C	S	.	.	H	α-helix	trans	-68.8	-41.6	-180	-62.9	-29.5	0	0	0	111.1	S123 I126 S164 S169 T170 F171	S123-D167 WeakPolarHBondContact CB-OD2 3.23Å; S123-D167 VanDerWaalsContact OG-CG 3.31Å; S123-D167 PolarHBondContact OG-OD2 3.04Å; I126-D167 HydrophobicContact CG2-CB 4.48Å; I126-D167 WeakPolarHBondContact CG2-O 3.37Å; S164-D167 PolarHBondContact O-N 3.12Å; S164-D167 WeakPolarHBondContact OG-CB 3.3Å; S164-D167 PolarHBondContact OG-N 2.71Å; S164-D167 VanDerWaalsContact OG-N 3.08Å; S164-D167 PolarHBondContact OG-OD2 3.14Å; D167-S169 PolarHBondContact O-N 3.15Å; D167-T170 WeakPolarHBondContact O-CB 3.34Å; D167-T170 PolarHBondContact O-N 3.11Å; D167-F171 PolarHBondContact O-N 3.28Å
168	K	98.3	Very high	98.1	Very high	75 Å²	75	72.9 Å²	72.9	33%	0.326	35%	0.346	S	S	.	.	H	α-helix	trans	-57	-51.3	173.9	-70.6	-179.4	-175.3	175.9	0	111.7	W160 A161 L163 S164 T170 F171 D172	W160-K168 WeakPolarHBondContact O-CE 3.36Å; W160-K168 PolarHBondContact O-NZ 3.18Å; A161-K168 PolarHBondContact O-NZ 3.47Å; L163-K168 HydrophobicContact CB-CD 4.41Å; L163-K168 HydrophobicContact CB-CG 3.81Å; L163-K168 HydrophobicContact CD1-CG 4.25Å; L163-K168 WeakPolarHBondContact O-CE 3.49Å; S164-K168 PolarHBondContact O-N 3.27Å; K168-T170 VanDerWaalsContact C-N 3.27Å; K168-T170 PolarHBondContact O-N 2.99Å; K168-F171 WeakPolarHBondContact O-CB 3.38Å; K168-F171 PolarHBondContact O-N 3.43Å; K168-F171 VanDerWaalsContact O-N 3.14Å; K168-D172 VanDerWaalsContact O-CG 3.24Å; K168-D172 PolarHBondContact O-N 2.84Å
169	S	98.6	Very high	97.8	Very high	75 Å²	75	67.5 Å²	67.5	52%	0.524	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-35.1	177.9	176.7	0	0	0	0	112.9	R165 K166 D167 R173	R165-S169 WeakPolarHBondContact O-CB 3.37Å; R165-S169 PolarHBondContact O-N 2.94Å; K166-S169 PolarHBondContact O-N 3.06Å; D167-S169 PolarHBondContact O-N 3.15Å; S169-R173 WeakPolarHBondContact O-CB 3.27Å; S169-R173 PolarHBondContact O-N 3.23Å
170	T	98.8	Very high	97.4	Very high	28 Å²	28	72 Å²	72	17%	0.172	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-46.3	174.8	-58.7	0	0	0	0	110.7	I126 K130 K166 D167 K168 R173 L174	I126-T170 HydrophobicContact CG2-CG2 3.96Å; K130-T170 HydrophobicContact CB-CG2 3.8Å; K130-T170 HydrophobicContact CD-CG2 4.23Å; K130-T170 HydrophobicContact CG-CG2 3.93Å; K166-T170 WeakPolarHBondContact O-CB 3.48Å; K166-T170 PolarHBondContact O-N 3.22Å; K166-T170 PolarHBondContact O-OG1 3.06Å; D167-T170 WeakPolarHBondContact O-CB 3.34Å; D167-T170 PolarHBondContact O-N 3.11Å; K168-T170 VanDerWaalsContact C-N 3.27Å; K168-T170 PolarHBondContact O-N 2.99Å; T170-R173 PolarHBondContact O-N 3.43Å; T170-L174 HydrophobicContact CG2-CD1 4.18Å; T170-L174 VanDerWaalsContact O-CG 3.31Å; T170-L174 WeakPolarHBondContact O-CG 2.91Å; T170-L174 PolarHBondContact O-N 3.36Å
171	F	98.7	Very high	96.9	Very high	15 Å²	15	75.7 Å²	75.7	7%	0.066	36%	0.363	C	S	.	.	H	α-helix	trans	-60.7	-46.9	175.5	175.5	-102.2	0	0	0	112	I126 L148 Q149 W160 D167 K168 R173 L174 D175	I126-F171 HydrophobicContact CD1-CB 4.04Å; I126-F171 HydrophobicContact CG1-CB 4.17Å; I126-F171 HydrophobicContact CG1-CD2 4.3Å; I126-F171 HydrophobicContact CG2-CB 4.06Å; L148-F171 HydrophobicContact CB-CE2 3.7Å; L148-F171 HydrophobicContact CB-CZ 4.35Å; L148-F171 HydrophobicContact CD1-CD2 3.79Å; L148-F171 HydrophobicContact CD1-CE2 3.81Å; L148-F171 HydrophobicContact CG-CE2 4.42Å; Q149-F171 HydrophobicContact CG-CE2 4.48Å; Q149-F171 HydrophobicContact CG-CZ 3.85Å; W160-F171 HydrophobicContact CH2-CD1 4.17Å; W160-F171 HydrophobicContact CH2-CD2 4.23Å; W160-F171 AromaticContact CH2-CE1 3.95Å; W160-F171 HydrophobicContact CH2-CE1 3.95Å; W160-F171 HydrophobicContact CH2-CE2 4.03Å; W160-F171 HydrophobicContact CH2-CG 4.29Å; W160-F171 AromaticContact CH2-CZ 3.86Å; W160-F171 HydrophobicContact CH2-CZ 3.86Å; W160-F171 AromaticContact CZ3-CD1 3.93Å; W160-F171 HydrophobicContact CZ3-CD1 3.93Å; W160-F171 HydrophobicContact CZ3-CD2 4.5Å; W160-F171 HydrophobicContact CZ3-CE1 4.09Å; W160-F171 HydrophobicContact CZ3-CG 4.13Å; W160-F171 HydrophobicContact CZ3-CZ 4.44Å; D167-F171 PolarHBondContact O-N 3.28Å; K168-F171 WeakPolarHBondContact O-CB 3.38Å; K168-F171 PolarHBondContact O-N 3.43Å; K168-F171 VanDerWaalsContact O-N 3.14Å; F171-R173 VanDerWaalsContact C-N 3.28Å; F171-R173 PolarHBondContact O-N 3.16Å; F171-L174 PolarHBondContact O-N 3.39Å; F171-L174 VanDerWaalsContact O-N 3.13Å; F171-D175 WeakPolarHBondContact O-CB 3.4Å; F171-D175 PolarHBondContact O-N 2.77Å
172	D	98.3	Very high	96.6	Very high	95 Å²	95	76.1 Å²	76.1	51%	0.508	36%	0.357	S	S	.	.	H	α-helix	trans	-60.2	-38.5	179.6	-63.4	-28	0	0	0	111.8	K168 Y176	K168-D172 VanDerWaalsContact O-CG 3.24Å; K168-D172 PolarHBondContact O-N 2.84Å; D172-Y176 VanDerWaalsContact O-CB 3.26Å; D172-Y176 WeakPolarHBondContact O-CB 3.35Å; D172-Y176 PolarHBondContact O-N 3.26Å
173	R	98.4	Very high	96.2	Very high	199 Å²	199	72.2 Å²	72.2	75%	0.751	34%	0.336	S	S	*	.	H	α-helix	trans	-67.7	-41	175.9	-176.3	174.2	175.2	132.4	-1.3	112.3	S169 T170 F171 L177	S169-R173 WeakPolarHBondContact O-CB 3.27Å; S169-R173 PolarHBondContact O-N 3.23Å; T170-R173 PolarHBondContact O-N 3.43Å; F171-R173 VanDerWaalsContact C-N 3.28Å; F171-R173 PolarHBondContact O-N 3.16Å; R173-L177 WeakPolarHBondContact O-CB 3.31Å; R173-L177 PolarHBondContact O-N 2.77Å
174	L	98.4	Very high	96.1	Very high	10 Å²	10	72.2 Å²	72.2	5%	0.052	34%	0.336	C	S	.	.	H	α-helix	trans	-66.1	-44.1	176.4	-71.1	171	0	0	0	111.2	A129 K130 C133 V141 V145 T170 F171 Y176 L177 M178	A129-L174 HydrophobicContact CB-CD1 3.66Å; K130-L174 HydrophobicContact CB-CD1 4.49Å; C133-L174 HydrophobicContact CB-CD2 3.88Å; V141-L174 HydrophobicContact CG1-CD2 4.03Å; V145-L174 HydrophobicContact CG2-CB 4.03Å; T170-L174 HydrophobicContact CG2-CD1 4.18Å; T170-L174 VanDerWaalsContact O-CG 3.31Å; T170-L174 WeakPolarHBondContact O-CG 2.91Å; T170-L174 PolarHBondContact O-N 3.36Å; F171-L174 PolarHBondContact O-N 3.39Å; F171-L174 VanDerWaalsContact O-N 3.13Å; L174-Y176 VanDerWaalsContact C-N 3.35Å; L174-L177 PolarHBondContact O-N 2.62Å; L174-M178 WeakPolarHBondContact O-CB 3.23Å; L174-M178 VanDerWaalsContact O-CG 3.26Å; L174-M178 WeakPolarHBondContact O-CG 3.4Å; L174-M178 PolarHBondContact O-N 3.45Å
175	D	96.8	Very high	95.9	Very high	46 Å²	46	73.3 Å²	73.3	25%	0.246	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-44.7	175.1	-176	26.7	0	0	0	111.3	Q149 F171 L177 M178 S179	Q149-D175 PolarHBondContact NE2-OD1 2.82Å; Q149-D175 PolarHBondContact NE2-OD2 2.95Å; F171-D175 WeakPolarHBondContact O-CB 3.4Å; F171-D175 PolarHBondContact O-N 2.77Å; D175-L177 VanDerWaalsContact C-N 3.34Å; D175-L177 PolarHBondContact O-N 3.1Å; D175-M178 CarbonylContact O-C 3.59Å; D175-M178 PolarHBondContact O-N 2.99Å; D175-S179 PolarHBondContact O-N 3.31Å
176	Y	97.4	Very high	95.8	Very high	145 Å²	145	65.1 Å²	65.1	57%	0.569	30%	0.303	S	S	*	.	H	α-helix	trans	-59.3	-44.1	177	-179	-104	0	0	0	112.6	D172 L174 S179 R186	D172-Y176 VanDerWaalsContact O-CB 3.26Å; D172-Y176 WeakPolarHBondContact O-CB 3.35Å; D172-Y176 PolarHBondContact O-N 3.26Å; L174-Y176 VanDerWaalsContact C-N 3.35Å; Y176-S179 WeakPolarHBondContact O-CB 3.13Å; Y176-R186 VanDerWaalsContact CE2-CZ 3.41Å; Y176-R186 PolarHBondContact O-NE 2.92Å
177	L	97.2	Very high	95.6	Very high	27 Å²	27	57.4 Å²	57.4	14%	0.141	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-43.9	176.6	176.3	63.3	0	0	0	112	R173 L174 D175 S179 F190	R173-L177 WeakPolarHBondContact O-CB 3.31Å; R173-L177 PolarHBondContact O-N 2.77Å; L174-L177 PolarHBondContact O-N 2.62Å; D175-L177 VanDerWaalsContact C-N 3.34Å; D175-L177 PolarHBondContact O-N 3.1Å; L177-S179 VanDerWaalsContact C-N 3.26Å; L177-S179 PolarHBondContact O-N 3.49Å; L177-F190 HydrophobicContact CD1-CB 3.89Å; L177-F190 HydrophobicContact CD1-CD2 4.04Å; L177-F190 HydrophobicContact CD1-CG 4Å
178	M	95.6	Very high	95.4	Very high	7 Å²	7	58.9 Å²	58.9	3%	0.034	27%	0.273	C	S	.	.	H	α-helix	trans	-84.4	3.5	-176.7	-62.5	-64.7	148.9	0	0	113.4	L138 V141 M142 V145 L174 D175 K180 L187	L138-M178 HydrophobicContact CB-CE 4.45Å; L138-M178 HydrophobicContact CD2-CE 3.68Å; V141-M178 HydrophobicContact CB-CE 3.82Å; V141-M178 HydrophobicContact CB-SD 4.39Å; V141-M178 HydrophobicContact CG1-CE 3.45Å; V141-M178 VanDerWaalsContact CG1-CE 3.45Å; V141-M178 HydrophobicContact CG1-CG 3.89Å; V141-M178 HydrophobicContact CG1-SD 4.04Å; M142-M178 HydrophobicContact CB-SD 4.25Å; M142-M178 HydrophobicContact CE-CB 3.8Å; M142-M178 HydrophobicContact CE-CG 4.35Å; M142-M178 WeakPolarHBondContact CE-O 3.46Å; M142-M178 HydrophobicContact CE-SD 3.87Å; M142-M178 HydrophobicContact SD-CB 4.05Å; V145-M178 HydrophobicContact CG2-CG 4.48Å; L174-M178 WeakPolarHBondContact O-CB 3.23Å; L174-M178 VanDerWaalsContact O-CG 3.26Å; L174-M178 WeakPolarHBondContact O-CG 3.4Å; L174-M178 PolarHBondContact O-N 3.45Å; D175-M178 CarbonylContact O-C 3.59Å; D175-M178 PolarHBondContact O-N 2.99Å; M178-K180 PolarHBondContact O-N 3.22Å; M178-L187 HydrophobicContact CE-CD1 3.83Å; M178-L187 HydrophobicContact SD-CD1 3.9Å; M178-L187 HydrophobicContact SD-CD2 4.31Å
179	S	93.3	Very high	95.2	Very high	18 Å²	18	58.8 Å²	58.8	13%	0.126	28%	0.277	C	S	.	.			trans	-60.5	137.9	-178.5	-179.7	0	0	0	0	111.6	D175 Y176 L177 E181	D175-S179 PolarHBondContact O-N 3.31Å; Y176-S179 WeakPolarHBondContact O-CB 3.13Å; L177-S179 VanDerWaalsContact C-N 3.26Å; L177-S179 PolarHBondContact O-N 3.49Å; S179-E181 PolarHBondContact O-N 2.76Å; S179-E181 WeakPolarHBondContact OG-CG 3.31Å; S179-E181 PolarHBondContact OG-N 3Å
180	K	88.5	Confident	95	Very high	94 Å²	94	57.4 Å²	57.4	41%	0.409	26%	0.261	S	S	.	.			trans	-77.1	-0.4	174.8	64.3	176.3	-178.6	174.1	0	114.2	M178 Y184 M352	M178-K180 PolarHBondContact O-N 3.22Å; K180-Y184 HydrophobicContact CB-CD1 4.2Å; K180-Y184 HydrophobicContact CB-CE1 3.73Å; K180-Y184 HydrophobicContact CB-CE2 4.36Å; K180-M352 HydrophobicContact CB-CE 3.93Å; K180-M352 HydrophobicContact CD-CE 4.27Å
181	E	88.9	Confident	94.7	Very high	114 Å²	114	56.8 Å²	56.8	53%	0.533	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	138.8	176.2	-76.9	169	-161.9	0	0	110.8	S179 N183 Y184 K185 R186	S179-E181 PolarHBondContact O-N 2.76Å; S179-E181 WeakPolarHBondContact OG-CG 3.31Å; S179-E181 PolarHBondContact OG-N 3Å; E181-N183 PolarHBondContact O-N 3.39Å; E181-Y184 PolarHBondContact O-N 3.29Å; E181-Y184 VanDerWaalsContact O-N 3.12Å; E181-K185 PolarHBondContact O-N 2.9Å; E181-R186 IonicContact OE2-CZ 2.69Å; E181-R186 IonicContact OE2-NH1 2.91Å; E181-R186 IonicContact OE2-NH2 3.27Å; E181-R186 PolarHBondContact OE2-NH2 3.33Å
182	D	91.8	Very high	94.3	Very high	75 Å²	75	60.4 Å²	60.4	40%	0.401	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	51.7	178	-162.8	29.4	0	0	0	113	Y184 K185	D182-Y184 PolarHBondContact O-N 2.6Å; D182-K185 HydrophobicContact CB-CB 3.94Å; D182-K185 WeakPolarHBondContact O-CA 3.29Å; D182-K185 WeakPolarHBondContact O-CB 3.49Å; D182-K185 PolarHBondContact O-N 3.26Å; D182-K185 WeakPolarHBondContact OD2-CD 3.27Å
183	N	90.6	Very high	93.8	Very high	19 Å²	19	59.8 Å²	59.8	10%	0.102	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	41.7	-176.9	-160.4	0.8	0	0	0	115.6	E181 K185 R188 F357	E181-N183 PolarHBondContact O-N 3.39Å; N183-K185 PolarHBondContact O-N 2.91Å; N183-R188 VanDerWaalsContact CG-NH2 3.31Å; N183-R188 PolarHBondContact ND2-NH2 3.04Å; N183-R188 WeakPolarHBondContact O-CD 3.41Å; N183-R188 PolarHBondContact O-NE 3.21Å; N183-R188 PolarHBondContact OD1-NH2 3.32Å; N183-F357 HydrophobicContact CB-CD1 3.19Å; N183-F357 HydrophobicContact CB-CE1 3.03Å; N183-F357 HydrophobicContact CB-CG 4.16Å; N183-F357 HydrophobicContact CB-CZ 3.89Å; N183-F357 WeakPolarHBondContact ND2-CD1 3.48Å; N183-F357 VanDerWaalsContact ND2-CE1 3.26Å; N183-F357 WeakPolarHBondContact ND2-CE1 3.36Å; N183-F357 VanDerWaalsContact ND2-CZ 3.32Å; N183-F357 WeakPolarHBondContact ND2-CZ 3.48Å; N183-F357 WeakPolarHBondContact OD1-CE1 3.36Å; N183-F357 WeakPolarHBondContact OD1-CZ 3.36Å
184	Y	94.8	Very high	92.8	Very high	11 Å²	11	52.4 Å²	52.4	4%	0.043	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	31.9	-174.2	-54.9	-87.7	0	0	0	112.3	M142 K180 E181 D182 R186 L187 R188 Y202 M205 M352	M142-Y184 HydrophobicContact CE-CD1 4.12Å; M142-Y184 HydrophobicContact CE-CE1 3.75Å; K180-Y184 HydrophobicContact CB-CD1 4.2Å; K180-Y184 HydrophobicContact CB-CE1 3.73Å; K180-Y184 HydrophobicContact CB-CE2 4.36Å; E181-Y184 PolarHBondContact O-N 3.29Å; E181-Y184 VanDerWaalsContact O-N 3.12Å; D182-Y184 PolarHBondContact O-N 2.6Å; Y184-R186 PolarHBondContact O-N 2.86Å; Y184-R186 VanDerWaalsContact O-N 3.11Å; Y184-L187 HydrophobicContact CD1-CD2 4.38Å; Y184-L187 WeakPolarHBondContact O-CA 3.41Å; Y184-L187 WeakPolarHBondContact O-CB 3.3Å; Y184-L187 PolarHBondContact O-N 3.28Å; Y184-R188 PolarHBondContact O-N 3.03Å; Y184-Y202 HydrophobicContact CE1-CD1 4.48Å; Y184-Y202 AromaticContact CE1-CE1 3.98Å; Y184-Y202 HydrophobicContact CE1-CE1 3.98Å; Y184-Y202 HydrophobicContact CE2-CE1 4.31Å; Y184-Y202 AromaticContact CZ-CE1 3.8Å; Y184-M205 HydrophobicContact CD2-CG 4.3Å; Y184-M352 HydrophobicContact CE2-CE 3.6Å; Y184-M352 HydrophobicContact CE2-SD 4.14Å
185	K	94.4	Very high	91.1	Very high	76 Å²	76	56.5 Å²	56.5	33%	0.33	29%	0.29	S	S	.	.	H	α-helix	trans	-46.9	-46.6	-176.5	170.2	164.1	175	39.1	0	112.7	E181 D182 N183 L187 R188 D189	E181-K185 PolarHBondContact O-N 2.9Å; D182-K185 HydrophobicContact CB-CB 3.94Å; D182-K185 WeakPolarHBondContact O-CA 3.29Å; D182-K185 WeakPolarHBondContact O-CB 3.49Å; D182-K185 PolarHBondContact O-N 3.26Å; D182-K185 WeakPolarHBondContact OD2-CD 3.27Å; N183-K185 PolarHBondContact O-N 2.91Å; K185-L187 VanDerWaalsContact C-N 3.34Å; K185-L187 PolarHBondContact O-N 3.36Å; K185-R188 WeakPolarHBondContact O-CB 3.37Å; K185-R188 PolarHBondContact O-N 3.12Å; K185-D189 WeakPolarHBondContact CG-OD2 3.16Å; K185-D189 VanDerWaalsContact NZ-CG 3.32Å; K185-D189 IonicContact NZ-OD1 3.93Å; K185-D189 PolarHBondContact NZ-OD1 3.32Å; K185-D189 VanDerWaalsContact NZ-OD1 3.11Å; K185-D189 IonicContact NZ-OD2 3.51Å; K185-D189 PolarHBondContact NZ-OD2 3.19Å; K185-D189 WeakPolarHBondContact O-CB 3.36Å; K185-D189 PolarHBondContact O-N 3.04Å
186	R	95.7	Very high	89.7	Confident	60 Å²	60	63.2 Å²	63.2	23%	0.226	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-38.9	-179.4	-71	-172	-79.5	-89.2	6.4	113	Y176 E181 Y184 F190	Y176-R186 VanDerWaalsContact CE2-CZ 3.41Å; Y176-R186 PolarHBondContact O-NE 2.92Å; E181-R186 IonicContact OE2-CZ 2.69Å; E181-R186 IonicContact OE2-NH1 2.91Å; E181-R186 IonicContact OE2-NH2 3.27Å; E181-R186 PolarHBondContact OE2-NH2 3.33Å; Y184-R186 PolarHBondContact O-N 2.86Å; Y184-R186 VanDerWaalsContact O-N 3.11Å; R186-F190 VanDerWaalsContact O-CB 3.31Å; R186-F190 WeakPolarHBondContact O-CB 3.42Å; R186-F190 PolarHBondContact O-N 2.92Å
187	L	95.3	Very high	88.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-70.3	-39.8	176.5	-173.6	60.6	0	0	0	111.3	L138 M142 M178 Y184 K185 F190 I191 Y202	L138-L187 HydrophobicContact CB-CD1 4.38Å; L138-L187 HydrophobicContact CD1-CD1 3.9Å; L138-L187 HydrophobicContact CD2-CD1 4.34Å; L138-L187 HydrophobicContact CG-CD1 4.43Å; M142-L187 HydrophobicContact CE-CD2 4.07Å; M178-L187 HydrophobicContact CE-CD1 3.83Å; M178-L187 HydrophobicContact SD-CD1 3.9Å; M178-L187 HydrophobicContact SD-CD2 4.31Å; Y184-L187 HydrophobicContact CD1-CD2 4.38Å; Y184-L187 WeakPolarHBondContact O-CA 3.41Å; Y184-L187 WeakPolarHBondContact O-CB 3.3Å; Y184-L187 PolarHBondContact O-N 3.28Å; K185-L187 VanDerWaalsContact C-N 3.34Å; K185-L187 PolarHBondContact O-N 3.36Å; L187-F190 PolarHBondContact O-N 2.87Å; L187-I191 HydrophobicContact CD1-CD1 4.48Å; L187-I191 HydrophobicContact CG-CD1 4.17Å; L187-I191 WeakPolarHBondContact O-CG1 3.4Å; L187-I191 PolarHBondContact O-N 2.68Å; L187-Y202 HydrophobicContact CD2-CD1 4.11Å; L187-Y202 HydrophobicContact CD2-CG 4.48Å
188	R	94.8	Very high	88.6	Confident	47 Å²	47	59.8 Å²	59.8	18%	0.177	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-50.3	174	-68.4	179.6	-175.2	-89.5	3.6	111.1	N183 Y184 K185 F190 I191 S192 M205 D209	N183-R188 VanDerWaalsContact CG-NH2 3.31Å; N183-R188 PolarHBondContact ND2-NH2 3.04Å; N183-R188 WeakPolarHBondContact O-CD 3.41Å; N183-R188 PolarHBondContact O-NE 3.21Å; N183-R188 PolarHBondContact OD1-NH2 3.32Å; Y184-R188 PolarHBondContact O-N 3.03Å; K185-R188 WeakPolarHBondContact O-CB 3.37Å; K185-R188 PolarHBondContact O-N 3.12Å; R188-F190 VanDerWaalsContact C-N 3.29Å; R188-F190 PolarHBondContact O-N 2.9Å; R188-I191 PolarHBondContact O-N 2.74Å; R188-S192 PolarHBondContact O-N 3.11Å; R188-S192 PolarHBondContact O-OG 3.35Å; R188-S192 VanDerWaalsContact O-OG 3.07Å; R188-M205 HydrophobicContact CB-SD 4.46Å; R188-M205 HydrophobicContact CG-CE 3.98Å; R188-M205 HydrophobicContact CG-CG 4.43Å; R188-M205 HydrophobicContact CG-SD 3.25Å; R188-M205 WeakPolarHBondContact CG-SD 3.43Å; R188-D209 IonicContact CZ-OD1 2.7Å; R188-D209 IonicContact CZ-OD2 3.74Å; R188-D209 VanDerWaalsContact CZ-OD2 3.29Å; R188-D209 IonicContact NH1-OD1 3.57Å; R188-D209 IonicContact NH1-OD2 3.89Å; R188-D209 PolarHBondContact NH1-OD2 3.31Å; R188-D209 IonicContact NH2-OD1 3.11Å; R188-D209 PolarHBondContact NH2-OD1 2.94Å; R188-D209 IonicContact NH2-OD2 2.8Å; R188-D209 PolarHBondContact NH2-OD2 3.48Å
189	D	94.1	Very high	88.5	Confident	74 Å²	74	59.5 Å²	59.5	40%	0.396	32%	0.317	S	S	.	.	H	α-helix	trans	-58.4	-43.5	177.6	-65.2	-19.2	0	0	0	110.8	K185 S192 S193	K185-D189 WeakPolarHBondContact CG-OD2 3.16Å; K185-D189 VanDerWaalsContact NZ-CG 3.32Å; K185-D189 IonicContact NZ-OD1 3.93Å; K185-D189 PolarHBondContact NZ-OD1 3.32Å; K185-D189 VanDerWaalsContact NZ-OD1 3.11Å; K185-D189 IonicContact NZ-OD2 3.51Å; K185-D189 PolarHBondContact NZ-OD2 3.19Å; K185-D189 WeakPolarHBondContact O-CB 3.36Å; K185-D189 PolarHBondContact O-N 3.04Å; D189-S192 PolarHBondContact O-N 3.27Å; D189-S193 PolarHBondContact O-N 3.01Å; D189-S193 PolarHBondContact O-OG 2.9Å
190	F	94.1	Very high	88.7	Confident	45 Å²	45	58.7 Å²	58.7	20%	0.197	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-40.1	176.8	-178.1	-86.9	0	0	0	112.9	L138 L177 R186 L187 R188 S193 Q194	L138-F190 HydrophobicContact CD1-CD1 3.93Å; L138-F190 HydrophobicContact CD1-CE1 4.09Å; L138-F190 HydrophobicContact CD2-CD1 4.13Å; L138-F190 HydrophobicContact CD2-CE1 3.76Å; L138-F190 HydrophobicContact CG-CE1 4.46Å; L177-F190 HydrophobicContact CD1-CB 3.89Å; L177-F190 HydrophobicContact CD1-CD2 4.04Å; L177-F190 HydrophobicContact CD1-CG 4Å; R186-F190 VanDerWaalsContact O-CB 3.31Å; R186-F190 WeakPolarHBondContact O-CB 3.42Å; R186-F190 PolarHBondContact O-N 2.92Å; L187-F190 PolarHBondContact O-N 2.87Å; R188-F190 VanDerWaalsContact C-N 3.29Å; R188-F190 PolarHBondContact O-N 2.9Å; F190-S193 PolarHBondContact O-OG 3.38Å; F190-S193 VanDerWaalsContact O-OG 3.07Å; F190-Q194 HydrophobicContact CE1-CG 4.25Å; F190-Q194 PolarHBondContact O-OE1 3.07Å
191	I	92.4	Very high	89	Confident	16 Å²	16	54.2 Å²	54.2	8%	0.082	29%	0.292	C	S	.	.	H	α-helix	trans	-67.5	-41.6	176.3	-69.4	164.1	0	0	0	110.1	L138 L187 R188 S193 Q194 P201 M205 L243	L138-I191 HydrophobicContact CD1-CD1 3.85Å; L138-I191 HydrophobicContact CD1-CG1 3.39Å; L187-I191 HydrophobicContact CD1-CD1 4.48Å; L187-I191 HydrophobicContact CG-CD1 4.17Å; L187-I191 WeakPolarHBondContact O-CG1 3.4Å; L187-I191 PolarHBondContact O-N 2.68Å; R188-I191 PolarHBondContact O-N 2.74Å; I191-S193 VanDerWaalsContact C-N 3.34Å; I191-S193 PolarHBondContact O-N 3.28Å; I191-Q194 WeakPolarHBondContact O-CB 3.5Å; I191-Q194 PolarHBondContact O-N 3.34Å; I191-Q194 VanDerWaalsContact O-N 3.13Å; I191-P201 HydrophobicContact CD1-CB 4.37Å; I191-M205 HydrophobicContact CD1-CE 3.79Å; I191-L243 HydrophobicContact CG2-CD2 4.41Å
192	S	89.3	Confident	89.5	Confident	90 Å²	90	49.2 Å²	49.2	63%	0.629	27%	0.268	S	S	*	.	H	α-helix	trans	-64.7	-35.1	179.4	-62.7	0	0	0	0	113	R188 D189 Q194	R188-S192 PolarHBondContact O-N 3.11Å; R188-S192 PolarHBondContact O-OG 3.35Å; R188-S192 VanDerWaalsContact O-OG 3.07Å; D189-S192 PolarHBondContact O-N 3.27Å; S192-Q194 PolarHBondContact O-N 3.17Å
193	S	87.9	Confident	89.7	Confident	82 Å²	82	45.7 Å²	45.7	57%	0.573	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-9.7	176	54.9	0	0	0	0	113.9	D189 F190 I191	D189-S193 PolarHBondContact O-N 3.01Å; D189-S193 PolarHBondContact O-OG 2.9Å; F190-S193 PolarHBondContact O-OG 3.38Å; F190-S193 VanDerWaalsContact O-OG 3.07Å; I191-S193 VanDerWaalsContact C-N 3.34Å; I191-S193 PolarHBondContact O-N 3.28Å
194	Q	78.1	Confident	89.9	Confident	45 Å²	45	44.9 Å²	44.9	21%	0.21	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	16	-171.8	-97.2	60.4	-12.6	0	0	112.1	F190 I191 S192 M196 V197	F190-Q194 HydrophobicContact CE1-CG 4.25Å; F190-Q194 PolarHBondContact O-OE1 3.07Å; I191-Q194 WeakPolarHBondContact O-CB 3.5Å; I191-Q194 PolarHBondContact O-N 3.34Å; I191-Q194 VanDerWaalsContact O-N 3.13Å; S192-Q194 PolarHBondContact O-N 3.17Å; Q194-M196 PolarHBondContact O-N 3.13Å; Q194-M196 VanDerWaalsContact O-N 3.08Å; Q194-V197 PolarHBondContact O-N 2.97Å; Q194-V197 VanDerWaalsContact O-N 3.07Å
195	S	61.7	Low	89.9	Confident	95 Å²	95	44.4 Å²	44.4	66%	0.664	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	119.8	172.6	62.3	0	0	0	0	108.7
196	M	68.1	Low	90	Very high	188 Å²	188	41.4 Å²	41.4	93%	0.926	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.4	1.3	-176.4	-50.5	-57.1	-133.7	0	0	118.2	Q194	Q194-M196 PolarHBondContact O-N 3.13Å; Q194-M196 VanDerWaalsContact O-N 3.08Å
197	V	81.1	Confident	90.1	Very high	75 Å²	75	38.9 Å²	38.9	46%	0.455	22%	0.221	S	C	.	.	S	Bend	trans	-118.7	143.1	175.5	-168.6	0	0	0	0	111.7	N136 Q194 C199	N136-V197 WeakPolarHBondContact ND2-CG1 3.34Å; Q194-V197 PolarHBondContact O-N 2.97Å; Q194-V197 VanDerWaalsContact O-N 3.07Å; V197-C199 PolarHBondContact O-N 3.43Å
198	S	89.7	Confident	90	Very high	24 Å²	24	39.7 Å²	39.7	17%	0.168	23%	0.227	C	C	.	.			trans	-51.4	124.9	169.6	-57.5	0	0	0	0	110.4	N136 S246 T248	N136-S198 WeakPolarHBondContact CB-O 3.33Å; S198-S246 WeakPolarHBondContact CA-O 3.36Å; S198-S246 PolarHBondContact OG-O 3.33Å; S198-T248 WeakPolarHBondContact CB-O 3.5Å; S198-T248 PolarHBondContact OG-N 2.92Å; S198-T248 PolarHBondContact OG-O 3.36Å; S198-T248 PolarHBondContact OG-OG1 3.23Å
199	C	93.5	Very high	89.9	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.014	22%	0.224	C	C	.	.			trans	-142.6	133.3	-176.7	179.2	0	0	0	0	109.8	N136 V197 L243	N136-C199 HydrophobicContact CB-CB 4.1Å; N136-C199 WeakPolarHBondContact O-CA 3.48Å; V197-C199 PolarHBondContact O-N 3.43Å; C199-L243 HydrophobicContact CB-CD2 4.25Å
200	I	97.4	Very high	90	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-104.4	105.6	167.3	-57.3	175.3	0	0	0	106.8	T59 D62 A63 F66 F94 N136 N137 L138 H139 Y249	T59-I200 HydrophobicContact CG2-CD1 3.99Å; D62-I200 HydrophobicContact CB-CD1 3.83Å; A63-I200 HydrophobicContact CB-CD1 3.98Å; F66-I200 HydrophobicContact CB-CG2 4.25Å; F66-I200 HydrophobicContact CD1-CG2 4.37Å; F66-I200 HydrophobicContact CG-CG2 4.21Å; F94-I200 HydrophobicContact CE2-CG2 4.21Å; F94-I200 HydrophobicContact CZ-CG2 3.54Å; N136-I200 PolarHBondContact O-N 3.01Å; N137-I200 HydrophobicContact CB-CD1 4.47Å; L138-I200 PolarHBondContact N-O 3.23Å; H139-I200 HydrophobicContact CB-CG2 3.78Å; H139-I200 PolarHBondContact N-O 3.05Å; H139-I200 VanDerWaalsContact N-O 3.17Å; I200-Y249 HydrophobicContact CD1-CE2 3.77Å; I200-Y249 HydrophobicContact CG1-CE2 3.8Å
201	P	96.5	Very high	89.9	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.205	C	C	.	.			trans	-72.8	155.6	-174.8	30.4	-36.3	0	0	0	112.1	F66 H139 I191 L203 Y206 L243	F66-P201 HydrophobicContact CE1-CG 4.48Å; F66-P201 HydrophobicContact CE2-CG 3.68Å; F66-P201 HydrophobicContact CZ-CG 3.65Å; H139-P201 WeakPolarHBondContact CB-O 3.37Å; I191-P201 HydrophobicContact CD1-CB 4.37Å; P201-L203 VanDerWaalsContact C-N 3.34Å; P201-L203 PolarHBondContact O-N 3.42Å; P201-Y206 HydrophobicContact CB-CD2 4.44Å; P201-Y206 HydrophobicContact CB-CE2 3.71Å; P201-Y206 HydrophobicContact CG-CE2 4.17Å; P201-L243 HydrophobicContact CB-CD1 4.03Å; P201-L243 HydrophobicContact CG-CD1 3.8Å
202	Y	97.7	Very high	89.8	Confident	9 Å²	9	40.2 Å²	40.2	4%	0.035	23%	0.227	C	C	.	.			trans	-68.3	95	161.1	172.6	-119.1	0	0	0	109.9	F98 M142 Y184 L187 G204 M205 L344	F98-Y202 HydrophobicContact CD2-CE2 4.41Å; F98-Y202 HydrophobicContact CE2-CD2 4.04Å; F98-Y202 AromaticContact CE2-CE2 3.78Å; F98-Y202 HydrophobicContact CE2-CE2 3.78Å; F98-Y202 HydrophobicContact CZ-CE2 4.27Å; M142-Y202 HydrophobicContact CB-CD2 3.86Å; M142-Y202 HydrophobicContact CB-CE2 4.37Å; M142-Y202 HydrophobicContact CB-CG 4.18Å; M142-Y202 HydrophobicContact CE-CD1 3.87Å; M142-Y202 HydrophobicContact CE-CE1 4.08Å; M142-Y202 HydrophobicContact CE-CG 4.14Å; M142-Y202 HydrophobicContact CG-CD1 4.43Å; M142-Y202 HydrophobicContact CG-CD2 3.59Å; M142-Y202 HydrophobicContact CG-CE1 4.47Å; M142-Y202 HydrophobicContact CG-CE2 3.61Å; M142-Y202 HydrophobicContact CG-CG 4.01Å; Y184-Y202 HydrophobicContact CE1-CD1 4.48Å; Y184-Y202 AromaticContact CE1-CE1 3.98Å; Y184-Y202 HydrophobicContact CE1-CE1 3.98Å; Y184-Y202 HydrophobicContact CE2-CE1 4.31Å; Y184-Y202 AromaticContact CZ-CE1 3.8Å; L187-Y202 HydrophobicContact CD2-CD1 4.11Å; L187-Y202 HydrophobicContact CD2-CG 4.48Å; Y202-G204 PolarHBondContact O-N 3.1Å; Y202-G204 VanDerWaalsContact O-N 3.16Å; Y202-M205 HydrophobicContact CD1-CB 3.97Å; Y202-M205 HydrophobicContact CE1-CB 4.36Å; Y202-M205 WeakPolarHBondContact O-CB 3.47Å; Y202-M205 PolarHBondContact O-N 3.44Å; Y202-L344 HydrophobicContact CE2-CD1 4.16Å; Y202-L344 HydrophobicContact CE2-CD2 3.88Å; Y202-L344 HydrophobicContact CE2-CG 4.39Å; Y202-L344 WeakPolarHBondContact OH-CD2 3.42Å
203	L	96.9	Very high	89.9	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-57.6	-31.5	-174.6	-171.4	67.7	0	0	0	113.5	I69 V91 F94 P201 M205 Y206 L207 I240	I69-L203 HydrophobicContact CD1-CD2 3.56Å; V91-L203 HydrophobicContact CG1-CD2 4.28Å; F94-L203 HydrophobicContact CD1-CB 3.9Å; F94-L203 HydrophobicContact CD1-CD2 3.72Å; F94-L203 HydrophobicContact CD1-CG 4.44Å; F94-L203 HydrophobicContact CE1-CB 3.85Å; F94-L203 HydrophobicContact CE1-CD2 4.4Å; P201-L203 VanDerWaalsContact C-N 3.34Å; P201-L203 PolarHBondContact O-N 3.42Å; L203-M205 PolarHBondContact O-N 2.91Å; L203-Y206 PolarHBondContact O-N 2.92Å; L203-L207 HydrophobicContact CD2-CD1 4.26Å; L203-L207 HydrophobicContact CD2-CD2 4.25Å; L203-L207 HydrophobicContact CD2-CG 4.38Å; L203-L207 HydrophobicContact CG-CD1 4.23Å; L203-L207 HydrophobicContact CG-CD2 4.07Å; L203-L207 HydrophobicContact CG-CG 3.95Å; L203-L207 WeakPolarHBondContact O-CG 3.31Å; L203-L207 PolarHBondContact O-N 2.76Å; L203-I240 HydrophobicContact CD1-CD1 4.07Å
204	G	94.8	Very high	90	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-53.7	-32.3	-179.1	0	0	0	0	0	113.6	Y202 L207 S208 F348	Y202-G204 PolarHBondContact O-N 3.1Å; Y202-G204 VanDerWaalsContact O-N 3.16Å; G204-L207 PolarHBondContact O-N 3.2Å; G204-S208 PolarHBondContact O-N 3.39Å; G204-F348 WeakPolarHBondContact O-CZ 3.35Å
205	M	95.1	Very high	90.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-47	174.1	-177.2	179.8	72.7	0	0	112.5	Y184 R188 I191 Y202 L203 S208 D209	Y184-M205 HydrophobicContact CD2-CG 4.3Å; R188-M205 HydrophobicContact CB-SD 4.46Å; R188-M205 HydrophobicContact CG-CE 3.98Å; R188-M205 HydrophobicContact CG-CG 4.43Å; R188-M205 HydrophobicContact CG-SD 3.25Å; R188-M205 WeakPolarHBondContact CG-SD 3.43Å; I191-M205 HydrophobicContact CD1-CE 3.79Å; Y202-M205 HydrophobicContact CD1-CB 3.97Å; Y202-M205 HydrophobicContact CE1-CB 4.36Å; Y202-M205 WeakPolarHBondContact O-CB 3.47Å; Y202-M205 PolarHBondContact O-N 3.44Å; L203-M205 PolarHBondContact O-N 2.91Å; M205-S208 VanDerWaalsContact O-CB 3.31Å; M205-S208 WeakPolarHBondContact O-CB 3.39Å; M205-S208 PolarHBondContact O-N 3.14Å; M205-D209 PolarHBondContact O-N 2.9Å
206	Y	96.4	Very high	91.6	Very high	13 Å²	13	34.1 Å²	34.1	5%	0.051	19%	0.187	C	C	.	.	H	α-helix	trans	-73.2	-33.7	177.7	-60.1	-70.6	0	0	0	112.3	P201 L203 S208 D209 L210 I236 I239 I240 L243	P201-Y206 HydrophobicContact CB-CD2 4.44Å; P201-Y206 HydrophobicContact CB-CE2 3.71Å; P201-Y206 HydrophobicContact CG-CE2 4.17Å; L203-Y206 PolarHBondContact O-N 2.92Å; Y206-S208 VanDerWaalsContact C-N 3.28Å; Y206-S208 PolarHBondContact O-N 3.38Å; Y206-D209 PolarHBondContact O-N 3.05Å; Y206-L210 WeakPolarHBondContact O-CG 3.46Å; Y206-L210 PolarHBondContact O-N 3.26Å; Y206-I236 HydrophobicContact CD1-CG2 3.98Å; Y206-I236 HydrophobicContact CG-CG2 4.37Å; Y206-I239 HydrophobicContact CE1-CG2 3.94Å; Y206-I240 HydrophobicContact CD2-CG1 4.29Å; Y206-I240 HydrophobicContact CG-CD1 4.19Å; Y206-I240 HydrophobicContact CG-CG1 4.25Å; Y206-L243 HydrophobicContact CE2-CD1 4.33Å
207	L	96.6	Very high	92.5	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-63.6	-35.6	173.7	-58.2	-177.8	0	0	0	111.6	L74 W79 V91 L203 G204 L210 T211	L74-L207 HydrophobicContact CD2-CD2 3.69Å; W79-L207 HydrophobicContact CD2-CD2 4.12Å; W79-L207 HydrophobicContact CE3-CD2 4.31Å; W79-L207 HydrophobicContact CH2-CD2 3.92Å; W79-L207 HydrophobicContact CZ2-CB 3.95Å; W79-L207 HydrophobicContact CZ2-CD2 3.71Å; W79-L207 HydrophobicContact CZ2-CG 4.33Å; W79-L207 HydrophobicContact CZ3-CD2 4.23Å; V91-L207 HydrophobicContact CG1-CD1 3.87Å; V91-L207 HydrophobicContact CG1-CD2 4.07Å; L203-L207 HydrophobicContact CD2-CD1 4.26Å; L203-L207 HydrophobicContact CD2-CD2 4.25Å; L203-L207 HydrophobicContact CD2-CG 4.38Å; L203-L207 HydrophobicContact CG-CD1 4.23Å; L203-L207 HydrophobicContact CG-CD2 4.07Å; L203-L207 HydrophobicContact CG-CG 3.95Å; L203-L207 WeakPolarHBondContact O-CG 3.31Å; L203-L207 PolarHBondContact O-N 2.76Å; G204-L207 PolarHBondContact O-N 3.2Å; L207-L210 HydrophobicContact CD2-CD1 4.48Å; L207-T211 WeakPolarHBondContact O-CB 3.42Å; L207-T211 PolarHBondContact O-N 2.95Å; L207-T211 PolarHBondContact O-OG1 2.9Å
208	S	93.5	Very high	92.4	Very high	17 Å²	17	27.5 Å²	27.5	12%	0.119	15%	0.151	C	C	.	.	H	α-helix	trans	-58.4	-49.4	170.1	-100.3	0	0	0	0	111.6	G204 M205 Y206 T211 Y212 F348	G204-S208 PolarHBondContact O-N 3.39Å; M205-S208 VanDerWaalsContact O-CB 3.31Å; M205-S208 WeakPolarHBondContact O-CB 3.39Å; M205-S208 PolarHBondContact O-N 3.14Å; Y206-S208 VanDerWaalsContact C-N 3.28Å; Y206-S208 PolarHBondContact O-N 3.38Å; S208-T211 PolarHBondContact O-N 3.07Å; S208-Y212 WeakPolarHBondContact O-CB 3.31Å; S208-Y212 PolarHBondContact O-N 2.89Å; S208-F348 WeakPolarHBondContact OG-CE1 3.38Å; S208-F348 WeakPolarHBondContact OG-CZ 3.47Å
209	D	94.1	Very high	91.3	Very high	23 Å²	23	30 Å²	30	12%	0.123	17%	0.169	C	C	.	.	H	α-helix	trans	-63.4	-44.2	-178.1	-61.8	-21.7	0	0	0	111	R188 M205 Y206 Y212 I213 I236	R188-D209 IonicContact CZ-OD1 2.7Å; R188-D209 IonicContact CZ-OD2 3.74Å; R188-D209 VanDerWaalsContact CZ-OD2 3.29Å; R188-D209 IonicContact NH1-OD1 3.57Å; R188-D209 IonicContact NH1-OD2 3.89Å; R188-D209 PolarHBondContact NH1-OD2 3.31Å; R188-D209 IonicContact NH2-OD1 3.11Å; R188-D209 PolarHBondContact NH2-OD1 2.94Å; R188-D209 IonicContact NH2-OD2 2.8Å; R188-D209 PolarHBondContact NH2-OD2 3.48Å; M205-D209 PolarHBondContact O-N 2.9Å; Y206-D209 PolarHBondContact O-N 3.05Å; D209-Y212 WeakPolarHBondContact O-CB 3.44Å; D209-Y212 PolarHBondContact O-N 2.83Å; D209-I213 WeakPolarHBondContact O-CD1 3.43Å; D209-I213 VanDerWaalsContact O-CG1 3.31Å; D209-I213 WeakPolarHBondContact O-CG1 3.11Å; D209-I213 PolarHBondContact O-N 3.02Å; D209-I236 HydrophobicContact CB-CD1 3.54Å
210	L	94.9	Very high	90.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-42.9	175.9	-69.9	168.2	0	0	0	112.2	L74 W79 Y206 L207 Y212 I213 D214 M233 I236	L74-L210 HydrophobicContact CB-CD1 3.95Å; L74-L210 HydrophobicContact CD2-CD1 4.08Å; W79-L210 HydrophobicContact CH2-CB 3.98Å; W79-L210 HydrophobicContact CH2-CD1 3.95Å; W79-L210 HydrophobicContact CZ2-CB 4.29Å; Y206-L210 WeakPolarHBondContact O-CG 3.46Å; Y206-L210 PolarHBondContact O-N 3.26Å; L207-L210 HydrophobicContact CD2-CD1 4.48Å; L210-Y212 VanDerWaalsContact C-N 3.3Å; L210-Y212 PolarHBondContact O-N 3Å; L210-I213 PolarHBondContact O-N 3.49Å; L210-D214 WeakPolarHBondContact O-CB 3.33Å; L210-D214 PolarHBondContact O-N 3.28Å; L210-M233 HydrophobicContact CD2-CB 4.15Å; L210-M233 HydrophobicContact CD2-CG 3.93Å; L210-I236 HydrophobicContact CD1-CG2 4.29Å; L210-I236 HydrophobicContact CD2-CB 4.12Å; L210-I236 HydrophobicContact CD2-CD1 3.93Å; L210-I236 HydrophobicContact CD2-CG2 4.1Å; L210-I236 HydrophobicContact CG-CD1 4.12Å; L210-I236 HydrophobicContact CG-CG2 4.06Å
211	T	91.9	Very high	88.6	Confident	30 Å²	30	37.4 Å²	37.4	18%	0.184	22%	0.219	C	C	.	.	H	α-helix	trans	-63.8	-38.7	176.3	-56	0	0	0	0	111.1	L207 S208 D214 S215 I349	L207-T211 WeakPolarHBondContact O-CB 3.42Å; L207-T211 PolarHBondContact O-N 2.95Å; L207-T211 PolarHBondContact O-OG1 2.9Å; S208-T211 PolarHBondContact O-N 3.07Å; T211-D214 PolarHBondContact O-N 3.48Å; T211-S215 PolarHBondContact O-N 2.73Å; T211-S215 PolarHBondContact O-OG 2.9Å; T211-I349 HydrophobicContact CG2-CD1 3.89Å
212	Y	91.4	Very high	87.3	Confident	141 Å²	141	40.3 Å²	40.3	55%	0.553	24%	0.24	S	C	*	.	H	α-helix	trans	-64	-49.6	176.5	176	-99.1	0	0	0	111.2	S208 D209 L210 D214 S215 A216	S208-Y212 WeakPolarHBondContact O-CB 3.31Å; S208-Y212 PolarHBondContact O-N 2.89Å; D209-Y212 WeakPolarHBondContact O-CB 3.44Å; D209-Y212 PolarHBondContact O-N 2.83Å; L210-Y212 VanDerWaalsContact C-N 3.3Å; L210-Y212 PolarHBondContact O-N 3Å; Y212-D214 VanDerWaalsContact C-N 3.26Å; Y212-D214 PolarHBondContact O-N 3.15Å; Y212-S215 PolarHBondContact O-N 2.85Å; Y212-S215 VanDerWaalsContact O-N 3.13Å; Y212-S215 PolarHBondContact O-OG 3.32Å; Y212-A216 WeakPolarHBondContact O-CB 3.38Å; Y212-A216 PolarHBondContact O-N 3.47Å
213	I	91.7	Very high	86.2	Confident	14 Å²	14	47.3 Å²	47.3	7%	0.072	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-43.2	175.7	-65.3	159.1	0	0	0	110.4	D209 L210 S215 A216 Y217 R229 L232 M233 I236	D209-I213 WeakPolarHBondContact O-CD1 3.43Å; D209-I213 VanDerWaalsContact O-CG1 3.31Å; D209-I213 WeakPolarHBondContact O-CG1 3.11Å; D209-I213 PolarHBondContact O-N 3.02Å; L210-I213 PolarHBondContact O-N 3.49Å; I213-S215 VanDerWaalsContact C-N 3.3Å; I213-S215 PolarHBondContact O-N 3.18Å; I213-A216 PolarHBondContact O-N 3.42Å; I213-Y217 HydrophobicContact CG2-CD2 4.18Å; I213-Y217 PolarHBondContact O-N 3.23Å; I213-R229 HydrophobicContact CG2-CG 4.18Å; I213-L232 HydrophobicContact CD1-CB 3.77Å; I213-L232 HydrophobicContact CG1-CB 4.09Å; I213-L232 HydrophobicContact CG1-CD1 4.43Å; I213-L232 HydrophobicContact CG2-CB 4.06Å; I213-L232 HydrophobicContact CG2-CD1 4.48Å; I213-M233 HydrophobicContact CB-CE 4.25Å; I213-M233 HydrophobicContact CB-CG 4.4Å; I213-M233 HydrophobicContact CD1-CG 4.46Å; I213-M233 HydrophobicContact CG2-CE 3.99Å; I213-M233 HydrophobicContact CG2-CG 3.77Å; I213-I236 HydrophobicContact CD1-CD1 3.44Å; I213-I236 VanDerWaalsContact CD1-CD1 3.44Å
214	D	88.4	Confident	84.5	Confident	46 Å²	46	52.3 Å²	52.3	25%	0.246	30%	0.302	C	S	.	.	H	α-helix	trans	-60.2	-39.5	178.3	-177.8	62.3	0	0	0	113	C77 L210 T211 Y212 R229 M233	C77-D214 HydrophobicContact CB-CB 4.49Å; L210-D214 WeakPolarHBondContact O-CB 3.33Å; L210-D214 PolarHBondContact O-N 3.28Å; T211-D214 PolarHBondContact O-N 3.48Å; Y212-D214 VanDerWaalsContact C-N 3.26Å; Y212-D214 PolarHBondContact O-N 3.15Å; D214-R229 VanDerWaalsContact CA-NH1 3.33Å; D214-R229 IonicContact OD1-CZ 3.43Å; D214-R229 IonicContact OD1-NH1 2.73Å; D214-R229 PolarHBondContact OD1-NH1 3.28Å; D214-R229 IonicContact OD1-NH2 3.75Å; D214-R229 PolarHBondContact OD1-NH2 3.4Å; D214-M233 HydrophobicContact CB-CE 3.85Å
215	S	87.9	Confident	83.4	Confident	82 Å²	82	55.9 Å²	55.9	57%	0.573	32%	0.318	S	S	*	.	H	α-helix	trans	-76.5	-32.6	178.1	71.9	0	0	0	0	114	T211 Y212 I213	T211-S215 PolarHBondContact O-N 2.73Å; T211-S215 PolarHBondContact O-OG 2.9Å; Y212-S215 PolarHBondContact O-N 2.85Å; Y212-S215 VanDerWaalsContact O-N 3.13Å; Y212-S215 PolarHBondContact O-OG 3.32Å; I213-S215 VanDerWaalsContact C-N 3.3Å; I213-S215 PolarHBondContact O-N 3.18Å
216	A	86.3	Confident	82.6	Confident	42 Å²	42	58.6 Å²	58.6	35%	0.347	33%	0.333	S	S	.	.	H	α-helix	trans	-80.4	-32.6	-178.9	0	0	0	0	0	112.1	Y212 I213	Y212-A216 WeakPolarHBondContact O-CB 3.38Å; Y212-A216 PolarHBondContact O-N 3.47Å; I213-A216 PolarHBondContact O-N 3.42Å
217	Y	86.8	Confident	82	Confident	67 Å²	67	63.2 Å²	63.2	26%	0.263	36%	0.355	S	S	.	.	S	Bend	trans	-130	80.8	-179	-51.1	-77.1	0	0	0	110.1	I213 Q228 R229 L232	I213-Y217 HydrophobicContact CG2-CD2 4.18Å; I213-Y217 PolarHBondContact O-N 3.23Å; Y217-Q228 HydrophobicContact CD1-CB 4.3Å; Y217-Q228 HydrophobicContact CE1-CB 4.3Å; Y217-R229 WeakPolarHBondContact O-CD 3.48Å; Y217-R229 PolarHBondContact O-NH1 3.18Å; Y217-L232 HydrophobicContact CD2-CD1 4.14Å; Y217-L232 HydrophobicContact CE2-CD1 3.59Å
218	P	78	Confident	81.5	Confident	56 Å²	56	66.7 Å²	66.7	36%	0.364	37%	0.371	S	S	.	.			trans	-63.3	145.5	-179.2	-20.1	32.6	0	0	0	111.8	T220 G221 N226	P218-T220 PolarHBondContact O-N 3.17Å; P218-T220 VanDerWaalsContact O-N 3.14Å; P218-G221 PolarHBondContact O-N 3.05Å; P218-N226 PolarHBondContact O-OD1 3.23Å
219	S	68.4	Low	81.3	Confident	77 Å²	77	67 Å²	67	54%	0.538	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.1	-179.1	57.3	0	0	0	0	114.9	G221 N226	S219-G221 VanDerWaalsContact C-N 3.3Å; S219-N226 PolarHBondContact O-ND2 3.08Å; S219-N226 PolarHBondContact O-OD1 3.39Å
220	T	71	Confident	81.1	Confident	132 Å²	132	68.7 Å²	68.7	81%	0.81	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	7.5	172.4	55.1	0	0	0	0	112.7	P218	P218-T220 PolarHBondContact O-N 3.17Å; P218-T220 VanDerWaalsContact O-N 3.14Å
221	G	62.1	Low	81	Confident	25 Å²	25	72.6 Å²	72.6	26%	0.258	40%	0.404	S	S	.	.	S	Bend	trans	-70.3	179.9	177.2	0	0	0	0	0	112.8	P218 S219 E225	P218-G221 PolarHBondContact O-N 3.05Å; S219-G221 VanDerWaalsContact C-N 3.3Å; G221-E225 VanDerWaalsContact CA-OE2 3.24Å; G221-E225 WeakPolarHBondContact CA-OE2 3.39Å
222	S	69.8	Low	81.1	Confident	62 Å²	62	73.9 Å²	73.9	43%	0.434	41%	0.41	S	S	.	.			trans	-59.5	161.3	171.9	64.9	0	0	0	0	111.8	L224 E225 N226	S222-L224 PolarHBondContact O-N 3.01Å; S222-L224 VanDerWaalsContact O-N 3.17Å; S222-E225 PolarHBondContact N-OE2 3.36Å; S222-E225 PolarHBondContact O-N 3.22Å; S222-E225 WeakPolarHBondContact OG-CG 3.47Å; S222-E225 PolarHBondContact OG-N 2.94Å; S222-E225 PolarHBondContact OG-OE2 3.34Å; S222-E225 VanDerWaalsContact OG-OE2 3.06Å; S222-N226 PolarHBondContact O-N 3.28Å
223	I	73.4	Confident	81.3	Confident	156 Å²	156	67.4 Å²	67.4	80%	0.8	39%	0.385	S	S	*	.	H	α-helix	trans	-53.5	-39.3	178.4	-63.5	169.4	0	0	0	111.5	N226 E227	I223-N226 PolarHBondContact O-N 3.34Å; I223-E227 PolarHBondContact O-N 3.15Å; I223-E227 VanDerWaalsContact O-N 3.12Å
224	L	62.1	Low	81.5	Confident	107 Å²	107	70.4 Å²	70.4	56%	0.56	40%	0.4	S	S	*	.	H	α-helix	trans	-67.5	-39.1	178.8	-175.9	63.9	0	0	0	112.7	S222 N226 E227 Q228	S222-L224 PolarHBondContact O-N 3.01Å; S222-L224 VanDerWaalsContact O-N 3.17Å; L224-N226 VanDerWaalsContact C-N 3.34Å; L224-E227 PolarHBondContact O-N 2.87Å; L224-Q228 WeakPolarHBondContact O-CG 3.46Å; L224-Q228 PolarHBondContact O-N 3.13Å
225	E	71.9	Confident	81.8	Confident	75 Å²	75	71.2 Å²	71.2	35%	0.35	41%	0.405	S	S	.	.	H	α-helix	trans	-67.5	-36.6	176.1	-71.3	166.8	149.2	0	0	111.3	G221 S222 E227 Q228 R229	G221-E225 VanDerWaalsContact CA-OE2 3.24Å; G221-E225 WeakPolarHBondContact CA-OE2 3.39Å; S222-E225 PolarHBondContact N-OE2 3.36Å; S222-E225 PolarHBondContact O-N 3.22Å; S222-E225 WeakPolarHBondContact OG-CG 3.47Å; S222-E225 PolarHBondContact OG-N 2.94Å; S222-E225 PolarHBondContact OG-OE2 3.34Å; S222-E225 VanDerWaalsContact OG-OE2 3.06Å; E225-E227 VanDerWaalsContact C-N 3.33Å; E225-E227 PolarHBondContact O-N 2.93Å; E225-Q228 PolarHBondContact O-N 2.89Å; E225-R229 VanDerWaalsContact O-CB 3.28Å; E225-R229 WeakPolarHBondContact O-CB 3.47Å; E225-R229 PolarHBondContact O-N 3.44Å
226	N	78.1	Confident	82.2	Confident	59 Å²	59	68 Å²	68	32%	0.316	38%	0.381	S	S	.	.	H	α-helix	trans	-65.5	-35.2	174.8	-82.7	18.1	0	0	0	112.5	P218 S219 S222 I223 L224 S230	P218-N226 PolarHBondContact O-OD1 3.23Å; S219-N226 PolarHBondContact O-ND2 3.08Å; S219-N226 PolarHBondContact O-OD1 3.39Å; S222-N226 PolarHBondContact O-N 3.28Å; I223-N226 PolarHBondContact O-N 3.34Å; L224-N226 VanDerWaalsContact C-N 3.34Å; N226-S230 WeakPolarHBondContact O-CB 3.5Å; N226-S230 PolarHBondContact O-N 3.09Å; N226-S230 PolarHBondContact O-OG 3.09Å
227	E	84.4	Confident	82.7	Confident	110 Å²	110	67 Å²	67	51%	0.514	37%	0.37	S	S	.	.	H	α-helix	trans	-68.2	-47	174.5	-168.4	-178.3	174.9	0	0	111.5	I223 L224 E225 R229 S230 N231	I223-E227 PolarHBondContact O-N 3.15Å; I223-E227 VanDerWaalsContact O-N 3.12Å; L224-E227 PolarHBondContact O-N 2.87Å; E225-E227 VanDerWaalsContact C-N 3.33Å; E225-E227 PolarHBondContact O-N 2.93Å; E227-R229 PolarHBondContact O-N 3.25Å; E227-S230 PolarHBondContact O-N 2.95Å; E227-N231 WeakPolarHBondContact O-CB 3.34Å; E227-N231 VanDerWaalsContact O-CG 3.28Å; E227-N231 PolarHBondContact O-N 2.91Å; E227-N231 PolarHBondContact O-ND2 3.42Å
228	Q	85.5	Confident	83.1	Confident	79 Å²	79	70.5 Å²	70.5	37%	0.369	38%	0.383	S	S	.	.	H	α-helix	trans	-60.1	-45.9	176.5	-72.2	-178.3	-2.2	0	0	112.1	Y217 L224 E225 S230 N231 L232	Y217-Q228 HydrophobicContact CD1-CB 4.3Å; Y217-Q228 HydrophobicContact CE1-CB 4.3Å; L224-Q228 WeakPolarHBondContact O-CG 3.46Å; L224-Q228 PolarHBondContact O-N 3.13Å; E225-Q228 PolarHBondContact O-N 2.89Å; Q228-S230 VanDerWaalsContact C-N 3.34Å; Q228-S230 PolarHBondContact O-N 3.15Å; Q228-N231 PolarHBondContact O-N 3.21Å; Q228-L232 WeakPolarHBondContact O-CG 3.27Å; Q228-L232 PolarHBondContact O-N 3.1Å
229	R	89.7	Confident	83.9	Confident	25 Å²	25	71.5 Å²	71.5	9%	0.094	38%	0.384	C	S	.	.	H	α-helix	trans	-53.2	-53.1	173.8	-176.7	-160.4	169.3	88.2	2.7	111	I213 D214 Y217 E225 E227 N231 L232 M233	I213-R229 HydrophobicContact CG2-CG 4.18Å; D214-R229 VanDerWaalsContact CA-NH1 3.33Å; D214-R229 IonicContact OD1-CZ 3.43Å; D214-R229 IonicContact OD1-NH1 2.73Å; D214-R229 PolarHBondContact OD1-NH1 3.28Å; D214-R229 IonicContact OD1-NH2 3.75Å; D214-R229 PolarHBondContact OD1-NH2 3.4Å; Y217-R229 WeakPolarHBondContact O-CD 3.48Å; Y217-R229 PolarHBondContact O-NH1 3.18Å; E225-R229 VanDerWaalsContact O-CB 3.28Å; E225-R229 WeakPolarHBondContact O-CB 3.47Å; E225-R229 PolarHBondContact O-N 3.44Å; E227-R229 PolarHBondContact O-N 3.25Å; R229-N231 PolarHBondContact O-N 3.11Å; R229-L232 PolarHBondContact O-N 3.02Å; R229-M233 HydrophobicContact CG-CE 4.25Å; R229-M233 HydrophobicContact CG-SD 4.14Å; R229-M233 VanDerWaalsContact CZ-CE 3.49Å; R229-M233 VanDerWaalsContact NH2-CE 3.3Å; R229-M233 WeakPolarHBondContact O-CB 3.23Å; R229-M233 WeakPolarHBondContact O-CG 3.21Å; R229-M233 PolarHBondContact O-N 2.98Å
230	S	90.2	Very high	85.2	Confident	58 Å²	58	67.9 Å²	67.9	41%	0.406	36%	0.359	S	S	.	.	H	α-helix	trans	-61.6	-46	-176.5	-59.6	0	0	0	0	111.1	N226 E227 Q228 L232 M233 N234	N226-S230 WeakPolarHBondContact O-CB 3.5Å; N226-S230 PolarHBondContact O-N 3.09Å; N226-S230 PolarHBondContact O-OG 3.09Å; E227-S230 PolarHBondContact O-N 2.95Å; Q228-S230 VanDerWaalsContact C-N 3.34Å; Q228-S230 PolarHBondContact O-N 3.15Å; S230-L232 PolarHBondContact O-N 3.38Å; S230-M233 PolarHBondContact O-N 3.27Å; S230-N234 WeakPolarHBondContact O-CB 3.45Å; S230-N234 PolarHBondContact O-N 3.39Å; S230-N234 PolarHBondContact O-ND2 2.93Å; S230-N234 VanDerWaalsContact O-ND2 3.13Å
231	N	91.9	Very high	86.4	Confident	82 Å²	82	63.9 Å²	63.9	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-61.3	-46.5	179.6	-72.4	-21.2	0	0	0	112.4	E227 Q228 R229 N234 N235	E227-N231 WeakPolarHBondContact O-CB 3.34Å; E227-N231 VanDerWaalsContact O-CG 3.28Å; E227-N231 PolarHBondContact O-N 2.91Å; E227-N231 PolarHBondContact O-ND2 3.42Å; Q228-N231 PolarHBondContact O-N 3.21Å; R229-N231 PolarHBondContact O-N 3.11Å; N231-N234 PolarHBondContact O-N 3.25Å; N231-N235 VanDerWaalsContact O-CG 3.3Å; N231-N235 PolarHBondContact O-N 3.27Å; N231-N235 VanDerWaalsContact O-N 3.16Å; N231-N235 PolarHBondContact O-ND2 3.13Å
232	L	94	Very high	87.9	Confident	57 Å²	57	66 Å²	66	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-67.1	-43.9	179.5	-68.3	173.5	0	0	0	112.2	I213 Y217 Q228 R229 S230 N235 I236	I213-L232 HydrophobicContact CD1-CB 3.77Å; I213-L232 HydrophobicContact CG1-CB 4.09Å; I213-L232 HydrophobicContact CG1-CD1 4.43Å; I213-L232 HydrophobicContact CG2-CB 4.06Å; I213-L232 HydrophobicContact CG2-CD1 4.48Å; Y217-L232 HydrophobicContact CD2-CD1 4.14Å; Y217-L232 HydrophobicContact CE2-CD1 3.59Å; Q228-L232 WeakPolarHBondContact O-CG 3.27Å; Q228-L232 PolarHBondContact O-N 3.1Å; R229-L232 PolarHBondContact O-N 3.02Å; S230-L232 PolarHBondContact O-N 3.38Å; L232-N235 PolarHBondContact O-N 2.94Å; L232-I236 PolarHBondContact O-N 3.43Å
233	M	95.4	Very high	89	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.025	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-46.7	175.8	-71.4	-169.8	166	0	0	110.9	L210 I213 D214 R229 S230 N235 I236 L237	L210-M233 HydrophobicContact CD2-CB 4.15Å; L210-M233 HydrophobicContact CD2-CG 3.93Å; I213-M233 HydrophobicContact CB-CE 4.25Å; I213-M233 HydrophobicContact CB-CG 4.4Å; I213-M233 HydrophobicContact CD1-CG 4.46Å; I213-M233 HydrophobicContact CG2-CE 3.99Å; I213-M233 HydrophobicContact CG2-CG 3.77Å; D214-M233 HydrophobicContact CB-CE 3.85Å; R229-M233 HydrophobicContact CG-CE 4.25Å; R229-M233 HydrophobicContact CG-SD 4.14Å; R229-M233 VanDerWaalsContact CZ-CE 3.49Å; R229-M233 VanDerWaalsContact NH2-CE 3.3Å; R229-M233 WeakPolarHBondContact O-CB 3.23Å; R229-M233 WeakPolarHBondContact O-CG 3.21Å; R229-M233 PolarHBondContact O-N 2.98Å; S230-M233 PolarHBondContact O-N 3.27Å; M233-N235 PolarHBondContact O-N 3.33Å; M233-I236 WeakPolarHBondContact O-CB 3.34Å; M233-I236 PolarHBondContact O-N 3.06Å; M233-L237 VanDerWaalsContact O-CG 3.32Å; M233-L237 WeakPolarHBondContact O-CG 3.46Å; M233-L237 PolarHBondContact O-N 3.06Å
234	N	95.4	Very high	90.1	Very high	76 Å²	76	58 Å²	58	41%	0.406	29%	0.294	S	S	.	.	H	α-helix	trans	-58	-33.9	179.6	-74.7	-21.3	0	0	0	112.8	S230 N231 L237 R238	S230-N234 WeakPolarHBondContact O-CB 3.45Å; S230-N234 PolarHBondContact O-N 3.39Å; S230-N234 PolarHBondContact O-ND2 2.93Å; S230-N234 VanDerWaalsContact O-ND2 3.13Å; N231-N234 PolarHBondContact O-N 3.25Å; N234-L237 PolarHBondContact O-N 3.16Å; N234-R238 WeakPolarHBondContact O-CB 3.21Å; N234-R238 PolarHBondContact O-N 3.05Å
235	N	95.1	Very high	91.5	Very high	63 Å²	63	60.6 Å²	60.6	34%	0.337	30%	0.297	S	S	.	.	H	α-helix	trans	-63.3	-43.3	173.8	-70.8	-24	0	0	0	112.1	N231 L232 M233 R238 I239	N231-N235 VanDerWaalsContact O-CG 3.3Å; N231-N235 PolarHBondContact O-N 3.27Å; N231-N235 VanDerWaalsContact O-N 3.16Å; N231-N235 PolarHBondContact O-ND2 3.13Å; L232-N235 PolarHBondContact O-N 2.94Å; M233-N235 PolarHBondContact O-N 3.33Å; N235-R238 PolarHBondContact O-N 3.32Å; N235-R238 PolarHBondContact OD1-NH1 2.98Å; N235-R238 VanDerWaalsContact OD1-NH1 3.08Å; N235-I239 WeakPolarHBondContact O-CG1 3.41Å; N235-I239 PolarHBondContact O-N 2.93Å; N235-I239 VanDerWaalsContact O-N 3.15Å
236	I	96.1	Very high	92.4	Very high	16 Å²	16	59.1 Å²	59.1	8%	0.082	30%	0.295	C	S	.	.	H	α-helix	trans	-67.5	-43.8	176.4	-63.3	170.4	0	0	0	110.8	Y206 D209 L210 I213 L232 M233 R238 I239 I240	Y206-I236 HydrophobicContact CD1-CG2 3.98Å; Y206-I236 HydrophobicContact CG-CG2 4.37Å; D209-I236 HydrophobicContact CB-CD1 3.54Å; L210-I236 HydrophobicContact CD1-CG2 4.29Å; L210-I236 HydrophobicContact CD2-CB 4.12Å; L210-I236 HydrophobicContact CD2-CD1 3.93Å; L210-I236 HydrophobicContact CD2-CG2 4.1Å; L210-I236 HydrophobicContact CG-CD1 4.12Å; L210-I236 HydrophobicContact CG-CG2 4.06Å; I213-I236 HydrophobicContact CD1-CD1 3.44Å; I213-I236 VanDerWaalsContact CD1-CD1 3.44Å; L232-I236 PolarHBondContact O-N 3.43Å; M233-I236 WeakPolarHBondContact O-CB 3.34Å; M233-I236 PolarHBondContact O-N 3.06Å; I236-R238 VanDerWaalsContact C-N 3.26Å; I236-R238 PolarHBondContact O-N 2.7Å; I236-I239 PolarHBondContact O-N 3.46Å; I236-I240 HydrophobicContact CG2-CD1 3.91Å; I236-I240 HydrophobicContact CG2-CG1 4.48Å; I236-I240 WeakPolarHBondContact O-CG1 3.15Å; I236-I240 PolarHBondContact O-N 2.91Å
237	L	97.1	Very high	93.1	Very high	20 Å²	20	56.4 Å²	56.4	11%	0.105	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-40.2	177.4	-62.6	178	0	0	0	111.3	P71 L74 M233 N234 I240 S241	P71-L237 HydrophobicContact CB-CD1 4.23Å; P71-L237 HydrophobicContact CB-CD2 4.43Å; L74-L237 HydrophobicContact CB-CD2 3.33Å; L74-L237 HydrophobicContact CD1-CD2 3.66Å; L74-L237 HydrophobicContact CG-CD2 4.16Å; M233-L237 VanDerWaalsContact O-CG 3.32Å; M233-L237 WeakPolarHBondContact O-CG 3.46Å; M233-L237 PolarHBondContact O-N 3.06Å; N234-L237 PolarHBondContact O-N 3.16Å; L237-I240 PolarHBondContact O-N 2.64Å; L237-S241 WeakPolarHBondContact O-CB 3.2Å; L237-S241 PolarHBondContact O-N 3.26Å
238	R	95.8	Very high	93.4	Very high	141 Å²	141	55.4 Å²	55.4	53%	0.532	28%	0.282	S	S	.	.	H	α-helix	trans	-62.8	-46.3	175.9	-167.3	180	-60.3	118.7	2.4	111.8	N234 N235 I236 I240 S241 D242	N234-R238 WeakPolarHBondContact O-CB 3.21Å; N234-R238 PolarHBondContact O-N 3.05Å; N235-R238 PolarHBondContact O-N 3.32Å; N235-R238 PolarHBondContact OD1-NH1 2.98Å; N235-R238 VanDerWaalsContact OD1-NH1 3.08Å; I236-R238 VanDerWaalsContact C-N 3.26Å; I236-R238 PolarHBondContact O-N 2.7Å; R238-I240 VanDerWaalsContact C-N 3.34Å; R238-I240 PolarHBondContact O-N 3.27Å; R238-S241 PolarHBondContact O-N 2.96Å; R238-D242 VanDerWaalsContact O-CG 3.22Å; R238-D242 PolarHBondContact O-N 2.9Å
239	I	94.3	Very high	93.8	Very high	77 Å²	77	54 Å²	54	40%	0.395	27%	0.273	S	S	.	.	H	α-helix	trans	-57.5	-47.8	175.7	-66.8	164.9	0	0	0	110.8	Y206 N235 I236 S241 D242 L243	Y206-I239 HydrophobicContact CE1-CG2 3.94Å; N235-I239 WeakPolarHBondContact O-CG1 3.41Å; N235-I239 PolarHBondContact O-N 2.93Å; N235-I239 VanDerWaalsContact O-N 3.15Å; I236-I239 PolarHBondContact O-N 3.46Å; I239-S241 PolarHBondContact O-N 3.09Å; I239-D242 PolarHBondContact O-N 3.03Å; I239-L243 HydrophobicContact CG2-CD1 4.15Å; I239-L243 WeakPolarHBondContact O-CG 3.22Å; I239-L243 PolarHBondContact O-N 3Å
240	I	95.9	Very high	94	Very high	1 Å²	1	61 Å²	61	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-63.4	-43.2	179.2	-67.4	169.1	0	0	0	110.7	F66 L74 L203 Y206 I236 L237 R238 D242 L243 Q244	F66-I240 HydrophobicContact CE2-CG2 4.17Å; F66-I240 HydrophobicContact CZ-CG2 4.41Å; L74-I240 HydrophobicContact CD1-CD1 3.66Å; L74-I240 HydrophobicContact CD1-CG2 4.14Å; L74-I240 HydrophobicContact CD2-CD1 4.45Å; L203-I240 HydrophobicContact CD1-CD1 4.07Å; Y206-I240 HydrophobicContact CD2-CG1 4.29Å; Y206-I240 HydrophobicContact CG-CD1 4.19Å; Y206-I240 HydrophobicContact CG-CG1 4.25Å; I236-I240 HydrophobicContact CG2-CD1 3.91Å; I236-I240 HydrophobicContact CG2-CG1 4.48Å; I236-I240 WeakPolarHBondContact O-CG1 3.15Å; I236-I240 PolarHBondContact O-N 2.91Å; L237-I240 PolarHBondContact O-N 2.64Å; R238-I240 VanDerWaalsContact C-N 3.34Å; R238-I240 PolarHBondContact O-N 3.27Å; I240-D242 VanDerWaalsContact C-N 3.33Å; I240-D242 PolarHBondContact O-N 3.01Å; I240-L243 PolarHBondContact O-N 2.97Å; I240-Q244 HydrophobicContact CG2-CG 4.33Å; I240-Q244 WeakPolarHBondContact O-CG 3.46Å; I240-Q244 PolarHBondContact O-N 2.93Å
241	S	95.7	Very high	94.3	Very high	47 Å²	47	59.9 Å²	59.9	33%	0.329	30%	0.302	S	S	.	.	H	α-helix	trans	-60.7	-41.1	177.3	-174.4	0	0	0	0	112.1	L237 R238 I239 Q244 R245	L237-S241 WeakPolarHBondContact O-CB 3.2Å; L237-S241 PolarHBondContact O-N 3.26Å; R238-S241 PolarHBondContact O-N 2.96Å; I239-S241 PolarHBondContact O-N 3.09Å; S241-Q244 PolarHBondContact O-N 3.21Å; S241-R245 WeakPolarHBondContact O-CB 3.46Å; S241-R245 PolarHBondContact O-N 2.91Å
242	D	93.3	Very high	94.5	Very high	70 Å²	70	60.7 Å²	60.7	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-65.2	-40.8	177.1	-67.5	-22.3	0	0	0	111.6	R238 I239 I240 R245 S246	R238-D242 VanDerWaalsContact O-CG 3.22Å; R238-D242 PolarHBondContact O-N 2.9Å; I239-D242 PolarHBondContact O-N 3.03Å; I240-D242 VanDerWaalsContact C-N 3.33Å; I240-D242 PolarHBondContact O-N 3.01Å; D242-R245 PolarHBondContact O-N 2.69Å; D242-R245 IonicContact OD1-CZ 3.99Å; D242-R245 VanDerWaalsContact OD1-CZ 3.27Å; D242-R245 IonicContact OD1-NH1 2.9Å; D242-R245 PolarHBondContact OD1-NH1 2.91Å; D242-R245 IonicContact OD1-NH2 3.03Å; D242-R245 PolarHBondContact OD1-NH2 2.88Å; D242-S246 PolarHBondContact O-N 3.44Å; D242-S246 VanDerWaalsContact O-N 3.15Å; D242-S246 PolarHBondContact O-OG 3.05Å
243	L	94.2	Very high	94.7	Very high	23 Å²	23	62 Å²	62	12%	0.12	32%	0.322	C	S	.	.	H	α-helix	trans	-65.1	-39.1	173.4	-67.4	171	0	0	0	112.2	F66 I191 C199 P201 Y206 I239 I240 R245 S246 C247	F66-L243 HydrophobicContact CE1-CB 4.32Å; F66-L243 HydrophobicContact CZ-CB 4Å; I191-L243 HydrophobicContact CG2-CD2 4.41Å; C199-L243 HydrophobicContact CB-CD2 4.25Å; P201-L243 HydrophobicContact CB-CD1 4.03Å; P201-L243 HydrophobicContact CG-CD1 3.8Å; Y206-L243 HydrophobicContact CE2-CD1 4.33Å; I239-L243 HydrophobicContact CG2-CD1 4.15Å; I239-L243 WeakPolarHBondContact O-CG 3.22Å; I239-L243 PolarHBondContact O-N 3Å; I240-L243 PolarHBondContact O-N 2.97Å; L243-R245 VanDerWaalsContact C-N 3.33Å; L243-S246 PolarHBondContact O-OG 3.25Å; L243-C247 VanDerWaalsContact O-CB 3.3Å; L243-C247 WeakPolarHBondContact O-CB 3.26Å; L243-C247 PolarHBondContact O-N 3.07Å; L243-C247 VanDerWaalsContact O-N 3.08Å
244	Q	95.6	Very high	94.8	Very high	27 Å²	27	63.7 Å²	63.7	13%	0.126	33%	0.331	C	S	.	.	H	α-helix	trans	-65.1	-37.7	175.4	-73.4	173.1	-33.8	0	0	111.9	F66 I69 I240 S241 C247	F66-Q244 HydrophobicContact CD1-CG 4.17Å; F66-Q244 HydrophobicContact CE1-CB 4.3Å; F66-Q244 HydrophobicContact CE1-CG 3.64Å; F66-Q244 HydrophobicContact CE2-CG 4.09Å; F66-Q244 HydrophobicContact CZ-CG 3.58Å; F66-Q244 PolarHBondContact O-NE2 3.43Å; I69-Q244 PolarHBondContact O-NE2 2.9Å; I240-Q244 HydrophobicContact CG2-CG 4.33Å; I240-Q244 WeakPolarHBondContact O-CG 3.46Å; I240-Q244 PolarHBondContact O-N 2.93Å; S241-Q244 PolarHBondContact O-N 3.21Å; Q244-C247 WeakPolarHBondContact O-CB 3.38Å; Q244-C247 PolarHBondContact O-N 3.08Å
245	R	92.9	Very high	94.8	Very high	161 Å²	161	64.3 Å²	64.3	61%	0.608	34%	0.339	S	S	*	.	H	α-helix	trans	-66.5	-42.4	179.7	-164.9	-176.3	-50.2	106	10.4	111.9	S241 D242 L243 C247	S241-R245 WeakPolarHBondContact O-CB 3.46Å; S241-R245 PolarHBondContact O-N 2.91Å; D242-R245 PolarHBondContact O-N 2.69Å; D242-R245 IonicContact OD1-CZ 3.99Å; D242-R245 VanDerWaalsContact OD1-CZ 3.27Å; D242-R245 IonicContact OD1-NH1 2.9Å; D242-R245 PolarHBondContact OD1-NH1 2.91Å; D242-R245 IonicContact OD1-NH2 3.03Å; D242-R245 PolarHBondContact OD1-NH2 2.88Å; L243-R245 VanDerWaalsContact C-N 3.33Å; R245-C247 VanDerWaalsContact C-N 3.31Å
246	S	89.1	Confident	94.8	Very high	44 Å²	44	64.9 Å²	64.9	31%	0.308	34%	0.339	S	S	.	.	H	α-helix	trans	-78.5	-13.9	176.9	65.5	0	0	0	0	113.4	S198 D242 L243 T248	S198-S246 WeakPolarHBondContact CA-O 3.36Å; S198-S246 PolarHBondContact OG-O 3.33Å; D242-S246 PolarHBondContact O-N 3.44Å; D242-S246 VanDerWaalsContact O-N 3.15Å; D242-S246 PolarHBondContact O-OG 3.05Å; L243-S246 PolarHBondContact O-OG 3.25Å; S246-T248 PolarHBondContact O-N 3.44Å; S246-T248 PolarHBondContact O-OG1 2.86Å
247	C	92.6	Very high	94.8	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.014	34%	0.336	C	S	.	.			trans	-67.4	91.1	-178.1	-169.4	0	0	0	0	112.2	F66 K67 L243 Q244 R245	F66-C247 HydrophobicContact CD1-CB 4.37Å; F66-C247 HydrophobicContact CE1-CB 4.34Å; K67-C247 HydrophobicContact CD-CB 4.18Å; K67-C247 HydrophobicContact CG-CB 4.23Å; K67-C247 PolarHBondContact NZ-O 2.91Å; L243-C247 VanDerWaalsContact O-CB 3.3Å; L243-C247 WeakPolarHBondContact O-CB 3.26Å; L243-C247 PolarHBondContact O-N 3.07Å; L243-C247 VanDerWaalsContact O-N 3.08Å; Q244-C247 WeakPolarHBondContact O-CB 3.38Å; Q244-C247 PolarHBondContact O-N 3.08Å; R245-C247 VanDerWaalsContact C-N 3.31Å
248	T	92.4	Very high	94.8	Very high	89 Å²	89	65.1 Å²	65.1	55%	0.546	34%	0.34	S	S	.	.			trans	-137.3	135.4	176.4	56.6	0	0	0	0	110.1	S198 S246	S198-T248 WeakPolarHBondContact CB-O 3.5Å; S198-T248 PolarHBondContact OG-N 2.92Å; S198-T248 PolarHBondContact OG-O 3.36Å; S198-T248 PolarHBondContact OG-OG1 3.23Å; S246-T248 PolarHBondContact O-N 3.44Å; S246-T248 PolarHBondContact O-OG1 2.86Å
249	Y	93.7	Very high	94.7	Very high	49 Å²	49	66 Å²	66	19%	0.192	35%	0.347	C	S	.	.			trans	-135.6	123.6	-177.8	-71.1	-77.5	0	0	0	109.5	T59 A63 M135 I200 I251	T59-Y249 HydrophobicContact CG2-CD1 3.76Å; T59-Y249 HydrophobicContact CG2-CD2 3.7Å; T59-Y249 HydrophobicContact CG2-CE1 3.63Å; T59-Y249 HydrophobicContact CG2-CE2 3.56Å; T59-Y249 HydrophobicContact CG2-CG 3.8Å; A63-Y249 HydrophobicContact CB-CD2 4.15Å; A63-Y249 HydrophobicContact CB-CE2 4.42Å; M135-Y249 HydrophobicContact CB-CE1 4.48Å; M135-Y249 VanDerWaalsContact O-CE1 3.29Å; M135-Y249 WeakPolarHBondContact O-CE1 3.47Å; M135-Y249 PolarHBondContact O-OH 3.49Å; I200-Y249 HydrophobicContact CD1-CE2 3.77Å; I200-Y249 HydrophobicContact CG1-CE2 3.8Å; Y249-I251 HydrophobicContact CD1-CD1 4.06Å; Y249-I251 HydrophobicContact CG-CD1 4.1Å
250	D	94	Very high	94.8	Very high	173 Å²	173	63.3 Å²	63.3	93%	0.925	33%	0.333	S	S	*	.			trans	-96.2	87.1	172.7	-172.5	18.1	0	0	0	109.1
251	I	95.6	Very high	94.7	Very high	35 Å²	35	64 Å²	64	18%	0.179	34%	0.336	C	S	.	.			trans	-134.9	132	-175.9	-54.4	159	0	0	0	107.8	T59 L60 M135 Y249 V253	T59-I251 HydrophobicContact CG2-CD1 4.29Å; L60-I251 HydrophobicContact CD1-CB 3.92Å; L60-I251 HydrophobicContact CD1-CG2 3.82Å; L60-I251 HydrophobicContact CD2-CB 4.06Å; L60-I251 HydrophobicContact CD2-CD1 4.27Å; L60-I251 HydrophobicContact CG-CB 3.99Å; L60-I251 HydrophobicContact CG-CD1 4.11Å; L60-I251 HydrophobicContact CG-CG2 4.21Å; M135-I251 HydrophobicContact CE-CD1 3.13Å; M135-I251 HydrophobicContact CE-CG1 3.98Å; Y249-I251 HydrophobicContact CD1-CD1 4.06Å; Y249-I251 HydrophobicContact CG-CD1 4.1Å; I251-V253 PolarHBondContact O-N 3.38Å
252	P	96.6	Very high	94.6	Very high	98 Å²	98	65.8 Å²	65.8	64%	0.636	34%	0.342	S	S	*	.			trans	-66.2	134	175.2	26.9	-33.7	0	0	0	111	Q57	Q57-P252 PolarHBondContact NE2-O 3.42Å
253	V	97.8	Very high	94.5	Very high	85 Å²	85	66 Å²	66	52%	0.515	35%	0.349	S	S	.	.			trans	-70.8	130.2	173.3	174.9	0	0	0	0	109.3	L60 I251 P255	L60-V253 HydrophobicContact CD1-CG2 4.01Å; I251-V253 PolarHBondContact O-N 3.38Å; V253-P255 HydrophobicContact CG1-CG 4.26Å; V253-P255 WeakPolarHBondContact O-CD 3.39Å
254	L	97.6	Very high	94.2	Very high	40 Å²	40	65.1 Å²	65.1	21%	0.209	34%	0.344	C	S	.	.			trans	-114.9	92.2	174.3	-61.6	176.1	0	0	0	108.9	E53 Q57 H256 I257 Q258	E53-L254 HydrophobicContact CB-CD1 3.94Å; E53-L254 HydrophobicContact CG-CD1 3.69Å; Q57-L254 VanDerWaalsContact CD-N 3.31Å; Q57-L254 HydrophobicContact CG-CB 3.99Å; L254-H256 VanDerWaalsContact C-N 3.28Å; L254-H256 PolarHBondContact O-N 3.45Å; L254-I257 HydrophobicContact CB-CB 4.42Å; L254-I257 HydrophobicContact CB-CD1 3.9Å; L254-I257 HydrophobicContact CB-CG1 4.33Å; L254-I257 HydrophobicContact CD1-CD1 3.62Å; L254-I257 HydrophobicContact CG-CD1 4.42Å; L254-I257 PolarHBondContact O-N 2.97Å; L254-I257 VanDerWaalsContact O-N 3.14Å; L254-Q258 PolarHBondContact O-N 3.15Å
255	P	96.4	Very high	93.5	Very high	90 Å²	90	73.8 Å²	73.8	58%	0.584	38%	0.376	S	S	*	.	H	α-helix	trans	-60.4	-34.5	-168.4	-26.5	34.7	0	0	0	114.2	V253 I257 Q258 K259	V253-P255 HydrophobicContact CG1-CG 4.26Å; V253-P255 WeakPolarHBondContact O-CD 3.39Å; P255-I257 PolarHBondContact O-N 3.2Å; P255-Q258 PolarHBondContact O-N 3.13Å; P255-K259 VanDerWaalsContact O-CB 3.26Å; P255-K259 WeakPolarHBondContact O-CB 3.26Å; P255-K259 PolarHBondContact O-N 2.68Å
256	H	94.3	Very high	93	Very high	74 Å²	74	66.9 Å²	66.9	34%	0.343	35%	0.35	S	S	.	.	H	α-helix	trans	-64.9	-38.1	-179.6	62	-79.9	0	0	0	112.2	L254 Y260	L254-H256 VanDerWaalsContact C-N 3.28Å; L254-H256 PolarHBondContact O-N 3.45Å; H256-Y260 PolarHBondContact O-N 2.72Å; H256-Y260 VanDerWaalsContact O-N 3.11Å
257	I	96.3	Very high	92.9	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-71.3	-45.6	175.8	-62.8	170.2	0	0	0	110.2	V49 E53 Y54 Q57 L254 P255 K259 Y260 L261	V49-I257 HydrophobicContact CG1-CD1 3.51Å; V49-I257 HydrophobicContact CG1-CG1 4.06Å; V49-I257 HydrophobicContact CG2-CD1 4.27Å; V49-I257 HydrophobicContact CG2-CG1 4.1Å; E53-I257 HydrophobicContact CB-CD1 3.76Å; Y54-I257 HydrophobicContact CD1-CG2 4.15Å; Y54-I257 HydrophobicContact CE1-CG2 4.33Å; Q57-I257 HydrophobicContact CB-CG2 3.87Å; Q57-I257 HydrophobicContact CG-CB 3.91Å; Q57-I257 HydrophobicContact CG-CD1 4.26Å; Q57-I257 HydrophobicContact CG-CG2 3.72Å; L254-I257 HydrophobicContact CB-CB 4.42Å; L254-I257 HydrophobicContact CB-CD1 3.9Å; L254-I257 HydrophobicContact CB-CG1 4.33Å; L254-I257 HydrophobicContact CD1-CD1 3.62Å; L254-I257 HydrophobicContact CG-CD1 4.42Å; L254-I257 PolarHBondContact O-N 2.97Å; L254-I257 VanDerWaalsContact O-N 3.14Å; P255-I257 PolarHBondContact O-N 3.2Å; I257-K259 VanDerWaalsContact C-N 3.33Å; I257-K259 PolarHBondContact O-N 2.92Å; I257-Y260 WeakPolarHBondContact O-CB 2.93Å; I257-Y260 PolarHBondContact O-N 3.07Å; I257-L261 HydrophobicContact CG2-CD1 3.89Å; I257-L261 HydrophobicContact CG2-CG 4.26Å; I257-L261 WeakPolarHBondContact O-CG 3.12Å; I257-L261 PolarHBondContact O-N 2.9Å
258	Q	96	Very high	92.4	Very high	42 Å²	42	70.8 Å²	70.8	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-41	177.9	-66.8	-168.1	6.4	0	0	112	Q57 M61 L254 P255 Y260 L261 N262	Q57-Q258 HydrophobicContact CB-CG 4.12Å; Q57-Q258 HydrophobicContact CG-CG 4.31Å; M61-Q258 HydrophobicContact CG-CG 4.16Å; M61-Q258 HydrophobicContact SD-CB 4.31Å; M61-Q258 HydrophobicContact SD-CG 4.05Å; L254-Q258 PolarHBondContact O-N 3.15Å; P255-Q258 PolarHBondContact O-N 3.13Å; Q258-Y260 VanDerWaalsContact C-N 3.32Å; Q258-Y260 PolarHBondContact O-N 2.93Å; Q258-L261 PolarHBondContact O-N 3.2Å; Q258-N262 VanDerWaalsContact O-CB 3.3Å; Q258-N262 WeakPolarHBondContact O-CB 2.95Å; Q258-N262 PolarHBondContact O-N 3.38Å; Q258-N262 PolarHBondContact O-ND2 3.25Å
259	K	94.9	Very high	92	Very high	159 Å²	159	73.8 Å²	73.8	69%	0.691	37%	0.373	S	S	*	.	H	α-helix	trans	-60	-42.8	174.6	-174.6	179.2	179.6	-178	0	111.2	P255 I257 S263	P255-K259 VanDerWaalsContact O-CB 3.26Å; P255-K259 WeakPolarHBondContact O-CB 3.26Å; P255-K259 PolarHBondContact O-N 2.68Å; I257-K259 VanDerWaalsContact C-N 3.33Å; I257-K259 PolarHBondContact O-N 2.92Å; K259-S263 PolarHBondContact O-N 3.11Å
260	Y	95.6	Very high	91.7	Very high	21 Å²	21	75.4 Å²	75.4	8%	0.082	38%	0.384	C	S	.	.	H	α-helix	trans	-64.5	-50.2	175	163.9	-102.6	0	0	0	112.3	F44 V46 Y54 W104 E108 H256 I257 Q258 N262 S263	F44-Y260 HydrophobicContact CB-CD2 3.69Å; F44-Y260 HydrophobicContact CB-CE2 4.08Å; F44-Y260 HydrophobicContact CB-CG 4.39Å; F44-Y260 AromaticContact CD1-CD1 3.68Å; F44-Y260 HydrophobicContact CD1-CD1 3.68Å; F44-Y260 AromaticContact CD1-CD2 3.33Å; F44-Y260 HydrophobicContact CD1-CD2 3.33Å; F44-Y260 AromaticContact CD1-CE1 3.78Å; F44-Y260 HydrophobicContact CD1-CE1 3.78Å; F44-Y260 AromaticContact CD1-CE2 3.45Å; F44-Y260 HydrophobicContact CD1-CE2 3.45Å; F44-Y260 VanDerWaalsContact CD1-CE2 3.45Å; F44-Y260 AromaticContact CD1-CG 3.45Å; F44-Y260 HydrophobicContact CD1-CG 3.45Å; F44-Y260 VanDerWaalsContact CD1-CG 3.45Å; F44-Y260 AromaticContact CD1-CZ 3.68Å; F44-Y260 HydrophobicContact CD2-CD1 4.5Å; F44-Y260 AromaticContact CD2-CD2 3.95Å; F44-Y260 HydrophobicContact CD2-CD2 3.95Å; F44-Y260 AromaticContact CD2-CG 3.76Å; F44-Y260 HydrophobicContact CD2-CG 3.76Å; F44-Y260 AromaticContact CE1-CD1 3.22Å; F44-Y260 HydrophobicContact CE1-CD1 3.22Å; F44-Y260 AromaticContact CE1-CD2 3.83Å; F44-Y260 HydrophobicContact CE1-CD2 3.83Å; F44-Y260 AromaticContact CE1-CE1 3.45Å; F44-Y260 HydrophobicContact CE1-CE1 3.45Å; F44-Y260 VanDerWaalsContact CE1-CE1 3.45Å; F44-Y260 HydrophobicContact CE1-CE2 4.03Å; F44-Y260 AromaticContact CE1-CG 3.42Å; F44-Y260 HydrophobicContact CE1-CG 3.42Å; F44-Y260 VanDerWaalsContact CE1-CG 3.42Å; F44-Y260 AromaticContact CE1-CZ 3.86Å; F44-Y260 VanDerWaalsContact CE2-CB 3.48Å; F44-Y260 HydrophobicContact CE2-CD1 4.13Å; F44-Y260 HydrophobicContact CE2-CD2 4.37Å; F44-Y260 AromaticContact CE2-CG 3.73Å; F44-Y260 HydrophobicContact CE2-CG 3.73Å; F44-Y260 HydrophobicContact CG-CD1 4.28Å; F44-Y260 AromaticContact CG-CD2 3.38Å; F44-Y260 HydrophobicContact CG-CD2 3.38Å; F44-Y260 AromaticContact CG-CE2 3.9Å; F44-Y260 HydrophobicContact CG-CE2 3.9Å; F44-Y260 AromaticContact CG-CG 3.6Å; F44-Y260 HydrophobicContact CG-CG 3.6Å; F44-Y260 AromaticContact CZ-CD1 3.45Å; F44-Y260 HydrophobicContact CZ-CD1 3.45Å; F44-Y260 VanDerWaalsContact CZ-CD1 3.45Å; F44-Y260 HydrophobicContact CZ-CD2 4.3Å; F44-Y260 HydrophobicContact CZ-CE1 4.15Å; F44-Y260 AromaticContact CZ-CG 3.54Å; F44-Y260 HydrophobicContact CZ-CG 3.54Å; V46-Y260 HydrophobicContact CG1-CE1 4.21Å; V46-Y260 HydrophobicContact CG1-CE2 4.46Å; V46-Y260 WeakPolarHBondContact CG1-OH 3.3Å; Y54-Y260 HydrophobicContact CE1-CE1 4.28Å; W104-Y260 HydrophobicContact CZ2-CE1 4.42Å; W104-Y260 AromaticContact NE1-CE1 3.48Å; W104-Y260 AromaticContact NE1-CZ 3.64Å; W104-Y260 PolarHBondContact NE1-OH 3.43Å; E108-Y260 WeakPolarHBondContact CG-OH 3.22Å; E108-Y260 PolarHBondContact OE1-OH 3.31Å; E108-Y260 PolarHBondContact OE2-OH 2.86Å; H256-Y260 PolarHBondContact O-N 2.72Å; H256-Y260 VanDerWaalsContact O-N 3.11Å; I257-Y260 WeakPolarHBondContact O-CB 2.93Å; I257-Y260 PolarHBondContact O-N 3.07Å; Q258-Y260 VanDerWaalsContact C-N 3.32Å; Q258-Y260 PolarHBondContact O-N 2.93Å; Y260-N262 VanDerWaalsContact C-N 3.26Å; Y260-N262 PolarHBondContact O-N 3.18Å; Y260-S263 VanDerWaalsContact O-CB 3.3Å; Y260-S263 WeakPolarHBondContact O-CB 3.43Å; Y260-S263 PolarHBondContact O-N 2.93Å; Y260-S263 PolarHBondContact O-OG 3.41Å
261	L	94.9	Very high	91.3	Very high	15 Å²	15	68.3 Å²	68.3	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-58.1	-39.6	178.4	-69.5	171.7	0	0	0	111.5	Y54 Q57 I58 M61 Q100 W104 I257 Q258 S263 V264	Y54-L261 HydrophobicContact CD1-CD2 4.35Å; Y54-L261 HydrophobicContact CE1-CD2 4.4Å; Q57-L261 HydrophobicContact CB-CD1 4.25Å; I58-L261 HydrophobicContact CG1-CD1 3.9Å; M61-L261 HydrophobicContact CE-CB 4.32Å; M61-L261 HydrophobicContact SD-CB 4.26Å; M61-L261 HydrophobicContact SD-CD1 3.97Å; Q100-L261 PolarHBondContact NE2-O 3.28Å; W104-L261 HydrophobicContact CD2-CD2 3.95Å; W104-L261 HydrophobicContact CE3-CD2 4.28Å; W104-L261 HydrophobicContact CH2-CD2 4.15Å; W104-L261 HydrophobicContact CZ2-CD2 3.81Å; W104-L261 HydrophobicContact CZ3-CD2 4.38Å; I257-L261 HydrophobicContact CG2-CD1 3.89Å; I257-L261 HydrophobicContact CG2-CG 4.26Å; I257-L261 WeakPolarHBondContact O-CG 3.12Å; I257-L261 PolarHBondContact O-N 2.9Å; Q258-L261 PolarHBondContact O-N 3.2Å; L261-S263 VanDerWaalsContact C-N 3.33Å; L261-S263 PolarHBondContact O-N 3.42Å; L261-V264 PolarHBondContact O-N 3.41Å
262	N	93.1	Very high	90.7	Very high	85 Å²	85	74.1 Å²	74.1	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-71.2	-23	175.2	-76.9	-31.9	0	0	0	114.2	M61 Q258 Y260 V264	M61-N262 WeakPolarHBondContact CE-OD1 3.3Å; Q258-N262 VanDerWaalsContact O-CB 3.3Å; Q258-N262 WeakPolarHBondContact O-CB 2.95Å; Q258-N262 PolarHBondContact O-N 3.38Å; Q258-N262 PolarHBondContact O-ND2 3.25Å; Y260-N262 VanDerWaalsContact C-N 3.26Å; Y260-N262 PolarHBondContact O-N 3.18Å; N262-V264 PolarHBondContact O-N 2.91Å
263	S	91.6	Very high	90.3	Very high	75 Å²	75	75.7 Å²	75.7	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-67.2	-24	176.6	79	0	0	0	0	112.3	K259 Y260 L261 R265	K259-S263 PolarHBondContact O-N 3.11Å; Y260-S263 VanDerWaalsContact O-CB 3.3Å; Y260-S263 WeakPolarHBondContact O-CB 3.43Å; Y260-S263 PolarHBondContact O-N 2.93Å; Y260-S263 PolarHBondContact O-OG 3.41Å; L261-S263 VanDerWaalsContact C-N 3.33Å; L261-S263 PolarHBondContact O-N 3.42Å; S263-R265 PolarHBondContact O-N 2.68Å
264	V	87.2	Confident	89.9	Confident	3 Å²	3	73.5 Å²	73.5	2%	0.018	35%	0.353	C	S	.	.	S	Bend	trans	-79	89	176.1	-172.9	0	0	0	0	108.9	Q100 F103 W104 L261 N262 Y266	Q100-V264 PolarHBondContact NE2-O 3.39Å; F103-V264 HydrophobicContact CD1-CG1 3.74Å; F103-V264 HydrophobicContact CE1-CG1 3.73Å; W104-V264 HydrophobicContact CB-CG1 4.17Å; L261-V264 PolarHBondContact O-N 3.41Å; N262-V264 PolarHBondContact O-N 2.91Å; V264-Y266 PolarHBondContact O-N 3.46Å
265	R	81.1	Confident	89.5	Confident	209 Å²	209	73.6 Å²	73.6	79%	0.789	35%	0.353	S	S	*	.			trans	-73.3	121.8	-178.9	-66.9	-172.8	176.7	-168.6	-0.4	111	S263	S263-R265 PolarHBondContact O-N 2.68Å
266	Y	82.9	Confident	89.2	Confident	16 Å²	16	73.2 Å²	73.2	6%	0.063	35%	0.346	C	S	.	.			trans	-100.1	129	165.6	173.7	-95.8	0	0	0	110	R96 N99 F103 V264 E268 Q271	R96-Y266 HydrophobicContact CG-CD1 3.94Å; R96-Y266 HydrophobicContact CG-CE1 4.4Å; R96-Y266 PolarHBondContact NH2-O 3.49Å; R96-Y266 VanDerWaalsContact NH2-O 3.14Å; N99-Y266 HydrophobicContact CB-CD1 4.08Å; N99-Y266 HydrophobicContact CB-CD2 4.24Å; N99-Y266 HydrophobicContact CB-CE1 3.58Å; N99-Y266 HydrophobicContact CB-CE2 3.77Å; N99-Y266 HydrophobicContact CB-CG 4.38Å; N99-Y266 VanDerWaalsContact CB-CZ 3.4Å; N99-Y266 PolarHBondContact ND2-OH 3.25Å; N99-Y266 VanDerWaalsContact ND2-OH 3.11Å; F103-Y266 HydrophobicContact CB-CD2 4.24Å; V264-Y266 PolarHBondContact O-N 3.46Å; Y266-E268 HydrophobicContact CE1-CB 4.01Å; Y266-E268 HydrophobicContact CE1-CG 4.49Å; Y266-Q271 HydrophobicContact CE2-CB 4.39Å; Y266-Q271 HydrophobicContact CE2-CG 4.3Å; Y266-Q271 PolarHBondContact OH-OE1 2.9Å
267	I	86	Confident	89.2	Confident	81 Å²	81	73.4 Å²	73.4	42%	0.415	35%	0.347	S	S	.	.			trans	-121.1	115.9	177.4	-60	173.1	0	0	0	106.4	E269 L270	I267-E269 VanDerWaalsContact C-N 3.33Å; I267-E269 HydrophobicContact CG2-CB 4.42Å; I267-E269 WeakPolarHBondContact CG2-OE2 3.41Å; I267-E269 PolarHBondContact O-N 3.01Å; I267-L270 HydrophobicContact CB-CB 4.31Å; I267-L270 HydrophobicContact CB-CD1 4.14Å; I267-L270 HydrophobicContact CB-CG 4.23Å; I267-L270 HydrophobicContact CD1-CD1 3.94Å; I267-L270 HydrophobicContact CG2-CB 4.3Å; I267-L270 HydrophobicContact CG2-CD1 4.08Å; I267-L270 HydrophobicContact CG2-CG 3.85Å; I267-L270 PolarHBondContact O-N 3.33Å
268	E	81.8	Confident	89.2	Confident	48 Å²	48	74.1 Å²	74.1	22%	0.224	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-64.1	-40	-171.1	-172	-178.4	174.8	0	0	111.5	K84 Y266 L270 Q271	K84-E268 IonicContact NZ-OE1 2.71Å; K84-E268 PolarHBondContact NZ-OE1 3.21Å; K84-E268 IonicContact NZ-OE2 2.68Å; K84-E268 PolarHBondContact NZ-OE2 3.42Å; Y266-E268 HydrophobicContact CE1-CB 4.01Å; Y266-E268 HydrophobicContact CE1-CG 4.49Å; E268-L270 PolarHBondContact O-N 2.94Å; E268-Q271 WeakPolarHBondContact O-CB 3.3Å; E268-Q271 PolarHBondContact O-N 3.4Å
269	E	85.3	Confident	89.2	Confident	152 Å²	152	74.8 Å²	74.8	71%	0.71	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-62.6	-27.5	-179.4	-59.3	80.4	-178.9	0	0	112.3	I267	I267-E269 VanDerWaalsContact C-N 3.33Å; I267-E269 HydrophobicContact CG2-CB 4.42Å; I267-E269 WeakPolarHBondContact CG2-OE2 3.41Å; I267-E269 PolarHBondContact O-N 3.01Å
270	L	86.9	Confident	89.3	Confident	82 Å²	82	72.8 Å²	72.8	43%	0.429	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-91.7	-1.3	179.2	-62.3	-177.4	0	0	0	113.2	I267 E268 K272 F273 V274	I267-L270 HydrophobicContact CB-CB 4.31Å; I267-L270 HydrophobicContact CB-CD1 4.14Å; I267-L270 HydrophobicContact CB-CG 4.23Å; I267-L270 HydrophobicContact CD1-CD1 3.94Å; I267-L270 HydrophobicContact CG2-CB 4.3Å; I267-L270 HydrophobicContact CG2-CD1 4.08Å; I267-L270 HydrophobicContact CG2-CG 3.85Å; I267-L270 PolarHBondContact O-N 3.33Å; E268-L270 PolarHBondContact O-N 2.94Å; L270-K272 VanDerWaalsContact C-N 3.33Å; L270-K272 PolarHBondContact O-N 2.89Å; L270-F273 WeakPolarHBondContact O-CB 3.34Å; L270-F273 PolarHBondContact O-N 3.39Å; L270-F273 VanDerWaalsContact O-N 3.12Å; L270-V274 HydrophobicContact CB-CG2 4.26Å; L270-V274 WeakPolarHBondContact O-CG2 3.27Å; L270-V274 PolarHBondContact O-N 3.38Å
271	Q	84.6	Confident	89.3	Confident	24 Å²	24	74 Å²	74	11%	0.112	35%	0.351	C	S	.	.	H	α-helix	trans	-54.8	-46.9	-171.6	-175.8	-170.3	-40.6	0	0	112.5	Y266 E268 F273 V274 E275 S343	Y266-Q271 HydrophobicContact CE2-CB 4.39Å; Y266-Q271 HydrophobicContact CE2-CG 4.3Å; Y266-Q271 PolarHBondContact OH-OE1 2.9Å; E268-Q271 WeakPolarHBondContact O-CB 3.3Å; E268-Q271 PolarHBondContact O-N 3.4Å; Q271-F273 VanDerWaalsContact C-N 3.34Å; Q271-F273 PolarHBondContact O-N 2.71Å; Q271-V274 PolarHBondContact O-N 2.92Å; Q271-E275 HydrophobicContact CG-CG 4.36Å; Q271-E275 PolarHBondContact NE2-OE1 2.93Å; Q271-E275 WeakPolarHBondContact O-CB 3.42Å; Q271-E275 WeakPolarHBondContact O-CG 3.46Å; Q271-E275 PolarHBondContact O-N 3.12Å; Q271-S343 PolarHBondContact NE2-OG 3.06Å; Q271-S343 PolarHBondContact OE1-OG 2.92Å
272	K	83.8	Confident	89.5	Confident	157 Å²	157	73.2 Å²	73.2	68%	0.683	35%	0.347	S	S	*	.	H	α-helix	trans	-61.2	-44.5	-179	-175	-177.8	176.3	-171.1	0	111.7	L270 E275 D276	L270-K272 VanDerWaalsContact C-N 3.33Å; L270-K272 PolarHBondContact O-N 2.89Å; K272-E275 PolarHBondContact O-N 3.27Å; K272-D276 PolarHBondContact O-N 3.35Å; K272-D276 VanDerWaalsContact O-N 3.11Å
273	F	88.2	Confident	89.6	Confident	131 Å²	131	73.4 Å²	73.4	58%	0.575	35%	0.345	S	S	*	.	H	α-helix	trans	-61.7	-46.6	177.1	176.7	-94.8	0	0	0	110.9	L270 Q271 E275 D276 E277	L270-F273 WeakPolarHBondContact O-CB 3.34Å; L270-F273 PolarHBondContact O-N 3.39Å; L270-F273 VanDerWaalsContact O-N 3.12Å; Q271-F273 VanDerWaalsContact C-N 3.34Å; Q271-F273 PolarHBondContact O-N 2.71Å; F273-E275 PolarHBondContact O-N 2.87Å; F273-D276 PolarHBondContact O-N 2.82Å; F273-E277 HydrophobicContact CD1-CG 4.09Å; F273-E277 HydrophobicContact CE1-CG 3.64Å; F273-E277 HydrophobicContact CE2-CG 4.16Å; F273-E277 HydrophobicContact CZ-CG 3.67Å; F273-E277 WeakPolarHBondContact O-CG 3.49Å; F273-E277 PolarHBondContact O-N 2.92Å
274	V	89.6	Confident	89.9	Confident	39 Å²	39	78.1 Å²	78.1	24%	0.236	36%	0.356	C	S	.	.	H	α-helix	trans	-63.7	-39.1	179.2	170.3	0	0	0	0	112.2	F103 L270 Q271 E277 N278	F103-V274 HydrophobicContact CD2-CG1 3.65Å; F103-V274 HydrophobicContact CE2-CG1 3.17Å; F103-V274 HydrophobicContact CZ-CG1 4.06Å; L270-V274 HydrophobicContact CB-CG2 4.26Å; L270-V274 WeakPolarHBondContact O-CG2 3.27Å; L270-V274 PolarHBondContact O-N 3.38Å; Q271-V274 PolarHBondContact O-N 2.92Å; V274-E277 PolarHBondContact O-N 2.98Å; V274-N278 VanDerWaalsContact O-CB 3.25Å; V274-N278 WeakPolarHBondContact O-CB 3.46Å; V274-N278 PolarHBondContact O-N 3.31Å; V274-N278 PolarHBondContact O-ND2 2.69Å
275	E	88.7	Confident	90.3	Very high	42 Å²	42	80.3 Å²	80.3	20%	0.196	37%	0.367	C	S	.	.	H	α-helix	trans	-62.1	-44.6	174.4	-76.4	178.6	-176.1	0	0	112	Q271 K272 F273 N278 Y279 C341	Q271-E275 HydrophobicContact CG-CG 4.36Å; Q271-E275 PolarHBondContact NE2-OE1 2.93Å; Q271-E275 WeakPolarHBondContact O-CB 3.42Å; Q271-E275 WeakPolarHBondContact O-CG 3.46Å; Q271-E275 PolarHBondContact O-N 3.12Å; K272-E275 PolarHBondContact O-N 3.27Å; F273-E275 PolarHBondContact O-N 2.87Å; E275-N278 PolarHBondContact O-N 3.27Å; E275-Y279 WeakPolarHBondContact O-CB 3.32Å; E275-Y279 PolarHBondContact O-N 3.45Å; E275-C341 HydrophobicContact CG-CB 4.46Å
276	D	90.8	Very high	91	Very high	83 Å²	83	70.8 Å²	70.8	44%	0.444	33%	0.332	S	S	.	.	H	α-helix	trans	-65.3	-44.2	178	-71.5	-21.9	0	0	0	111.2	K272 F273 Y279 K280	K272-D276 PolarHBondContact O-N 3.35Å; K272-D276 VanDerWaalsContact O-N 3.11Å; F273-D276 PolarHBondContact O-N 2.82Å; D276-Y279 PolarHBondContact O-N 2.81Å; D276-K280 WeakPolarHBondContact O-CG 3.34Å; D276-K280 PolarHBondContact O-N 2.75Å
277	E	94	Very high	91.5	Very high	78 Å²	78	74.2 Å²	74.2	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-42.2	176.3	-71.1	-58.2	106.1	0	0	112.3	F273 V274 Y279 K280 L281	F273-E277 HydrophobicContact CD1-CG 4.09Å; F273-E277 HydrophobicContact CE1-CG 3.64Å; F273-E277 HydrophobicContact CE2-CG 4.16Å; F273-E277 HydrophobicContact CZ-CG 3.67Å; F273-E277 WeakPolarHBondContact O-CG 3.49Å; F273-E277 PolarHBondContact O-N 2.92Å; V274-E277 PolarHBondContact O-N 2.98Å; E277-Y279 VanDerWaalsContact C-N 3.27Å; E277-Y279 PolarHBondContact O-N 3.27Å; E277-K280 PolarHBondContact O-N 3.26Å; E277-K280 WeakPolarHBondContact OE1-CD 3.32Å; E277-K280 WeakPolarHBondContact OE1-CE 3.49Å; E277-K280 IonicContact OE1-NZ 2.68Å; E277-K280 PolarHBondContact OE1-NZ 3.3Å; E277-L281 WeakPolarHBondContact O-CB 3.25Å; E277-L281 PolarHBondContact O-N 2.82Å
278	N	95.9	Very high	91.2	Very high	15 Å²	15	72.8 Å²	72.8	8%	0.08	36%	0.361	C	S	.	.	H	α-helix	trans	-60.6	-38.5	174.1	-78.8	-23.9	0	0	0	111.5	V106 L110 P152 V274 E275 L281 S282	V106-N278 HydrophobicContact CG1-CB 4.2Å; L110-N278 HydrophobicContact CD1-CB 3.65Å; L110-N278 WeakPolarHBondContact CD1-O 3.18Å; P152-N278 HydrophobicContact CB-CB 4.29Å; P152-N278 WeakPolarHBondContact CB-O 3.34Å; P152-N278 HydrophobicContact CG-CB 4.2Å; V274-N278 VanDerWaalsContact O-CB 3.25Å; V274-N278 WeakPolarHBondContact O-CB 3.46Å; V274-N278 PolarHBondContact O-N 3.31Å; V274-N278 PolarHBondContact O-ND2 2.69Å; E275-N278 PolarHBondContact O-N 3.27Å; N278-L281 PolarHBondContact O-N 2.86Å; N278-S282 WeakPolarHBondContact O-CB 3.31Å; N278-S282 PolarHBondContact O-N 2.9Å
279	Y	95.8	Very high	90.3	Very high	56 Å²	56	77.4 Å²	77.4	22%	0.22	39%	0.392	C	S	.	.	H	α-helix	trans	-67.5	-43.2	176.3	-169.5	-103.2	0	0	0	112.2	A151 E275 D276 E277 S282 Q283 H338	A151-Y279 HydrophobicContact CB-CD2 4.02Å; A151-Y279 HydrophobicContact CB-CE2 4.11Å; E275-Y279 WeakPolarHBondContact O-CB 3.32Å; E275-Y279 PolarHBondContact O-N 3.45Å; D276-Y279 PolarHBondContact O-N 2.81Å; E277-Y279 VanDerWaalsContact C-N 3.27Å; E277-Y279 PolarHBondContact O-N 3.27Å; Y279-S282 WeakPolarHBondContact O-CB 3.33Å; Y279-S282 PolarHBondContact O-N 2.91Å; Y279-Q283 HydrophobicContact CD1-CG 4.44Å; Y279-Q283 HydrophobicContact CE1-CG 4.12Å; Y279-Q283 WeakPolarHBondContact O-CG 3.36Å; Y279-Q283 PolarHBondContact O-N 3.33Å; Y279-H338 AromaticContact CZ-CE1 3.63Å; Y279-H338 AromaticContact CZ-ND1 3.86Å; Y279-H338 PolarHBondContact OH-CE1 2.78Å
280	K	96.8	Very high	88.3	Confident	117 Å²	117	75.2 Å²	75.2	51%	0.509	39%	0.394	S	S	.	.	H	α-helix	trans	-61.2	-43.7	173.6	-68.3	173.5	-166.3	166.6	0	111.8	D276 E277 S282 Q283 K284	D276-K280 WeakPolarHBondContact O-CG 3.34Å; D276-K280 PolarHBondContact O-N 2.75Å; E277-K280 PolarHBondContact O-N 3.26Å; E277-K280 WeakPolarHBondContact OE1-CD 3.32Å; E277-K280 WeakPolarHBondContact OE1-CE 3.49Å; E277-K280 IonicContact OE1-NZ 2.68Å; E277-K280 PolarHBondContact OE1-NZ 3.3Å; K280-S282 PolarHBondContact O-N 2.88Å; K280-Q283 WeakPolarHBondContact O-CB 3.31Å; K280-Q283 PolarHBondContact O-N 2.9Å; K280-K284 PolarHBondContact O-N 3.15Å
281	L	97.2	Very high	85.8	Confident	45 Å²	45	77.4 Å²	77.4	24%	0.236	41%	0.411	C	S	.	.	H	α-helix	trans	-61.6	-44.1	176	179.6	58.1	0	0	0	111.2	L110 E277 N278 Q283 K284 I285	L110-L281 HydrophobicContact CB-CD2 3.71Å; L110-L281 HydrophobicContact CB-CG 4.2Å; L110-L281 HydrophobicContact CD1-CD2 4.42Å; E277-L281 WeakPolarHBondContact O-CB 3.25Å; E277-L281 PolarHBondContact O-N 2.82Å; N278-L281 PolarHBondContact O-N 2.86Å; L281-Q283 VanDerWaalsContact C-N 3.31Å; L281-Q283 PolarHBondContact O-N 2.84Å; L281-K284 WeakPolarHBondContact O-CB 3.44Å; L281-K284 PolarHBondContact O-N 2.83Å; L281-I285 HydrophobicContact CD1-CG2 3.95Å; L281-I285 HydrophobicContact CG-CG2 4.44Å; L281-I285 WeakPolarHBondContact O-CG1 3.3Å; L281-I285 PolarHBondContact O-N 3.2Å
282	S	97.8	Very high	83.6	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	45%	0.445	C	S	.	.	H	α-helix	trans	-55.1	-45.6	173.1	177.1	0	0	0	0	112.2	P152 R155 L156 N278 Y279 K280 K284 I285 E286	P152-S282 VanDerWaalsContact O-CB 3.24Å; P152-S282 WeakPolarHBondContact O-CB 3.49Å; P152-S282 PolarHBondContact O-OG 2.95Å; R155-S282 VanDerWaalsContact CD-OG 3.28Å; R155-S282 WeakPolarHBondContact CD-OG 3.46Å; R155-S282 WeakPolarHBondContact CG-OG 3.33Å; R155-S282 PolarHBondContact NH1-O 3.13Å; R155-S282 PolarHBondContact NH1-OG 3.32Å; L156-S282 WeakPolarHBondContact CD2-OG 3.34Å; N278-S282 WeakPolarHBondContact O-CB 3.31Å; N278-S282 PolarHBondContact O-N 2.9Å; Y279-S282 WeakPolarHBondContact O-CB 3.33Å; Y279-S282 PolarHBondContact O-N 2.91Å; K280-S282 PolarHBondContact O-N 2.88Å; S282-K284 VanDerWaalsContact C-N 3.3Å; S282-K284 PolarHBondContact O-N 3.45Å; S282-I285 WeakPolarHBondContact O-CG1 3.35Å; S282-I285 PolarHBondContact O-N 2.97Å; S282-E286 PolarHBondContact O-N 3.32Å
283	Q	96.4	Very high	81.2	Confident	88 Å²	88	86.4 Å²	86.4	41%	0.411	46%	0.456	S	S	.	.	H	α-helix	trans	-64	-34.1	176.3	-70.8	-178	-28.8	0	0	112.6	Y279 K280 L281 E286 P287	Y279-Q283 HydrophobicContact CD1-CG 4.44Å; Y279-Q283 HydrophobicContact CE1-CG 4.12Å; Y279-Q283 WeakPolarHBondContact O-CG 3.36Å; Y279-Q283 PolarHBondContact O-N 3.33Å; K280-Q283 WeakPolarHBondContact O-CB 3.31Å; K280-Q283 PolarHBondContact O-N 2.9Å; L281-Q283 VanDerWaalsContact C-N 3.31Å; L281-Q283 PolarHBondContact O-N 2.84Å; Q283-E286 CarbonylContact O-C 3.38Å; Q283-P287 WeakPolarHBondContact O-CA 3.42Å; Q283-P287 VanDerWaalsContact O-N 3.12Å
284	K	96.7	Very high	78.8	Confident	174 Å²	174	84.2 Å²	84.2	76%	0.757	46%	0.462	S	S	*	.	H	α-helix	trans	-69.9	-44.4	176.8	-173.7	179.5	178.5	-178.9	0	112.3	K280 L281 S282	K280-K284 PolarHBondContact O-N 3.15Å; L281-K284 WeakPolarHBondContact O-CB 3.44Å; L281-K284 PolarHBondContact O-N 2.83Å; S282-K284 VanDerWaalsContact C-N 3.3Å; S282-K284 PolarHBondContact O-N 3.45Å
285	I	96.7	Very high	76	Confident	49 Å²	49	90.9 Å²	90.9	25%	0.251	50%	0.496	S	S	.	.	H	α-helix	trans	-77.9	-30.5	-177	67.5	178.8	0	0	0	113.1	L110 L156 L281 S282	L110-I285 HydrophobicContact CD2-CD1 3.64Å; L156-I285 HydrophobicContact CD1-CD1 4.43Å; L156-I285 HydrophobicContact CD2-CD1 4.06Å; L156-I285 HydrophobicContact CD2-CG1 4.08Å; L281-I285 HydrophobicContact CD1-CG2 3.95Å; L281-I285 HydrophobicContact CG-CG2 4.44Å; L281-I285 WeakPolarHBondContact O-CG1 3.3Å; L281-I285 PolarHBondContact O-N 3.2Å; S282-I285 WeakPolarHBondContact O-CG1 3.35Å; S282-I285 PolarHBondContact O-N 2.97Å
286	E	95.9	Very high	73.3	Confident	10 Å²	10	93.5 Å²	93.5	5%	0.047	53%	0.525	C	S	.	.	S	Bend	trans	-136.1	87.6	170.7	-71.2	-169.2	-157.4	0	0	109.9	R118 R155 L156 T157 K158 T159 S282 Q283	R118-E286 IonicContact CZ-OE1 2.7Å; R118-E286 IonicContact NE-OE1 2.8Å; R118-E286 IonicContact NH2-OE1 3.67Å; R118-E286 PolarHBondContact NH2-OE1 2.86Å; R155-E286 PolarHBondContact NH1-O 2.74Å; R155-E286 PolarHBondContact NH2-O 3.49Å; L156-E286 VanDerWaalsContact CA-OE2 3.29Å; L156-E286 WeakPolarHBondContact CA-OE2 3.36Å; L156-E286 HydrophobicContact CD2-CB 3.82Å; L156-E286 HydrophobicContact CD2-CG 3.96Å; T157-E286 PolarHBondContact N-OE2 2.86Å; K158-E286 WeakPolarHBondContact CB-OE2 3.1Å; K158-E286 PolarHBondContact N-OE2 3.46Å; K158-E286 VanDerWaalsContact N-OE2 3.07Å; T159-E286 PolarHBondContact N-OE1 3.41Å; T159-E286 PolarHBondContact OG1-OE1 3.3Å; S282-E286 PolarHBondContact O-N 3.32Å; Q283-E286 CarbonylContact O-C 3.38Å
287	P	93.1	Very high	70.6	Confident	88 Å²	88	95.4 Å²	95.4	57%	0.571	55%	0.545	S	S	*	.			trans	-57.1	141.6	173.7	-24.6	34.6	0	0	0	110.8	Q283	Q283-P287 WeakPolarHBondContact O-CA 3.42Å; Q283-P287 VanDerWaalsContact O-N 3.12Å
288	G	79.4	Confident	67.7	Low	50 Å²	50	101.3 Å²	101.3	52%	0.515	57%	0.569	S	S	.	*			trans	-58.1	148.8	172.9	0	0	0	0	0	110.3	S290	G288-S290 VanDerWaalsContact C-N 3.28Å; G288-S290 PolarHBondContact O-N 3.37Å
289	T	63	Low	64.8	Low	145 Å²	145	109.1 Å²	109.1	89%	0.89	61%	0.605	S	S	*	*			trans	-58.9	96.3	167	30.2	0	0	0	0	108.4	T291	T289-T291 PolarHBondContact O-N 3.2Å; T289-T291 VanDerWaalsContact O-N 3.12Å
290	S	42.8	Very low	61.7	Low	107 Å²	107	113.4 Å²	113.4	75%	0.748	63%	0.632	S	S	*	*			trans	-60.7	110.9	166.8	42.6	0	0	0	0	107.4	G288	G288-S290 VanDerWaalsContact C-N 3.28Å; G288-S290 PolarHBondContact O-N 3.37Å
291	T	33.9	Very low	58.7	Low	128 Å²	128	114.9 Å²	114.9	79%	0.785	65%	0.645	S	S	*	*			trans	-54.1	125.1	152.6	46.3	0	0	0	0	107	T289 R293	T289-T291 PolarHBondContact O-N 3.2Å; T289-T291 VanDerWaalsContact O-N 3.12Å; T291-R293 PolarHBondContact O-N 3.16Å
292	P	38.3	Very low	55.5	Low	126 Å²	126	119.3 Å²	119.3	82%	0.818	67%	0.673	S	S	*	*			trans	-72.2	104.9	178.5	27.9	-29.8	0	0	0	108.1
293	R	34.8	Very low	52.2	Low	244 Å²	244	123.9 Å²	123.9	92%	0.921	71%	0.711	S	S	*	*			trans	-160.4	135.3	150.9	-131.8	173.3	175.9	160.8	-1.2	114.8	T291	T291-R293 PolarHBondContact O-N 3.16Å
294	A	36.5	Very low	48.9	Very low	85 Å²	85	122.9 Å²	122.9	70%	0.702	72%	0.724	S	S	*	*			trans	82.2	68.1	149.5	0	0	0	0	0	117.8
295	N	32.5	Very low	45.7	Very low	178 Å²	178	123.1 Å²	123.1	95%	0.952	73%	0.728	S	S	*	*			trans	-120	85.9	134.1	-84.3	-6.4	0	0	0	107.7
296	A	31.4	Very low	42.4	Very low	97 Å²	97	129 Å²	129	80%	0.802	75%	0.754	S	S	*	*			trans	-119.9	95.8	149.6	0	0	0	0	0	104.3	K298	A296-K298 PolarHBondContact O-N 3.49Å
297	S	32.9	Very low	39.2	Very low	123 Å²	123	133 Å²	133	86%	0.86	79%	0.789	S	S	*	*			trans	-55.5	126.6	172.6	41.5	0	0	0	0	109.1
298	K	34.4	Very low	36	Very low	202 Å²	202	134.1 Å²	134.1	88%	0.878	80%	0.799	S	S	*	*			trans	-98.3	103.5	172.5	-174.4	-178.1	-175.4	-179.7	0	107.6	A296	A296-K298 PolarHBondContact O-N 3.49Å
299	E	34.5	Very low	33.5	Very low	180 Å²	180	136.7 Å²	136.7	84%	0.841	81%	0.809	S	S	*	*			trans	-164.1	97.7	157.7	-106.9	157.1	-168.6	0	0	106.5
300	D	31.1	Very low	31.9	Very low	145 Å²	145	135.1 Å²	135.1	78%	0.775	80%	0.804	S	S	*	*				-177.9	122.9	128.5	-91.7	-22.3	0	0	0	112.3
301	L	33.9	Very low	31.9	Very low	149 Å²	149	134.8 Å²	134.8	78%	0.78	80%	0.799	S	S	*	*			trans	68.9	106.8	139.1	-55.1	169.7	0	0	0	121.8
302	V	29.6	Very low	31.7	Very low	138 Å²	138	136.2 Å²	136.2	84%	0.836	80%	0.801	S	S	*	*				25.3	117.2	125.5	-172.9	0	0	0	0	118.5
303	A	28.9	Very low	31.1	Very low	95 Å²	95	136 Å²	136	79%	0.785	80%	0.801	S	S	*	*				154.1	134.7	120.4	0	0	0	0	0	112.4
304	G	27.5	Very low	30.9	Very low	67 Å²	67	128 Å²	128	69%	0.691	80%	0.795	S	S	*	*			trans	82.7	111.8	132.7	0	0	0	0	0	120.7
305	Q	29.6	Very low	30.5	Very low	180 Å²	180	135 Å²	135	84%	0.841	80%	0.803	S	S	*	*			trans	74.8	114.9	134	-85.1	165.8	-56.8	0	0	122.8
306	E	26.6	Very low	30.4	Very low	172 Å²	172	136.1 Å²	136.1	80%	0.804	80%	0.8	S	S	*	*				52.4	119.2	122.2	-65.9	-161.4	162.2	0	0	122.2
307	A	28.6	Very low	30.2	Very low	93 Å²	93	134.9 Å²	134.9	77%	0.769	80%	0.797	S	S	*	*				52.1	130.3	123.3	0	0	0	0	0	120.7
308	S	25.9	Very low	30	Very low	112 Å²	112	134.6 Å²	134.6	78%	0.783	80%	0.795	S	S	*	*			trans	118.9	140.4	132.7	-165.9	0	0	0	0	116.1
309	S	27.7	Very low	29.9	Very low	105 Å²	105	132 Å²	132	73%	0.734	80%	0.795	S	S	*	*			trans	82.7	92.7	154.5	68.6	0	0	0	0	118.8
310	S	28.2	Very low	29.8	Very low	111 Å²	111	127.9 Å²	127.9	78%	0.776	79%	0.792	S	S	*	*				-48.9	159.8	127.5	-36.5	0	0	0	0	109.4
311	P	43.4	Very low	29.8	Very low	100 Å²	100	126.1 Å²	126.1	65%	0.649	80%	0.798	S	S	*	*				-160.5	173.1	72.4	42.1	-20.7	0	0	0	118
312	L	30.1	Very low	29.6	Very low	159 Å²	159	126.7 Å²	126.7	83%	0.832	80%	0.802	S	S	*	*			trans	73	145.7	144.8	-74.9	156.3	0	0	0	117.2
313	C	26.1	Very low	29.8	Very low	121 Å²	121	126.3 Å²	126.3	82%	0.818	80%	0.8	S	S	*	*			cis	-170.5	161.4	1.3	-178.2	0	0	0	0	106.3
314	G	28.8	Very low	30	Very low	77 Å²	77	127.3 Å²	127.3	79%	0.794	80%	0.798	S	S	*	*			trans	145.6	89.5	157.1	0	0	0	0	0	114.9
315	R	28.5	Very low	30.1	Very low	231 Å²	231	129.3 Å²	129.3	87%	0.872	81%	0.808	S	S	*	*			trans	-103.3	157.6	-176.7	-164	-178.8	-174.1	-172.6	2.5	110.4
316	K	30.5	Very low	30.3	Very low	201 Å²	201	126.7 Å²	126.7	87%	0.874	80%	0.804	S	S	*	*			trans	93.2	138.1	163	-56.4	-180	177.1	-178.8	0	115
317	G	27.6	Very low	30.7	Very low	72 Å²	72	124 Å²	124	74%	0.742	80%	0.802	S	S	*	*			cis	170.4	139.7	-0.5	0	0	0	0	0	110.5
318	S	28.5	Very low	30.9	Very low	116 Å²	116	125.6 Å²	125.6	81%	0.811	80%	0.804	S	S	*	*			trans	40.5	120.2	150.6	-157.5	0	0	0	0	121.2
319	V	32.7	Very low	31.1	Very low	148 Å²	148	125.2 Å²	125.2	90%	0.897	80%	0.802	S	S	*	*				-150.7	131.8	118.1	-150.9	0	0	0	0	109
320	A	31.3	Very low	31.2	Very low	94 Å²	94	125.8 Å²	125.8	78%	0.777	80%	0.803	S	S	*	*			trans	-94	141.8	173.3	0	0	0	0	0	110.6
321	A	32.2	Very low	31.2	Very low	108 Å²	108	131.9 Å²	131.9	89%	0.893	81%	0.809	S	S	*	*			trans	-146.9	131.3	158.4	0	0	0	0	0	108.8
322	D	29	Very low	30.5	Very low	160 Å²	160	134.5 Å²	134.5	86%	0.856	82%	0.818	S	S	*	*			trans	-82.4	169.7	-171.3	-107.5	-37	0	0	0	114
323	V	33.7	Very low	30.4	Very low	131 Å²	131	134.8 Å²	134.8	79%	0.794	82%	0.819	S	S	*	*			trans	94.2	138.3	159	-157.8	0	0	0	0	117.2
324	P	33.3	Very low	30.8	Very low	116 Å²	116	136.5 Å²	136.5	75%	0.753	82%	0.819	S	S	*	*				-122	167.9	-54	34.4	-15	0	0	0	112.4	T326	P324-T326 PolarHBondContact O-N 2.97Å
325	A	29.8	Very low	31	Very low	108 Å²	108	138.8 Å²	138.8	89%	0.893	82%	0.82	S	S	*	*			trans	-73.1	112.5	178.8	0	0	0	0	0	113.2
326	T	34	Very low	31.1	Very low	125 Å²	125	138.6 Å²	138.6	77%	0.767	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-74.1	139.3	157.1	35.5	0	0	0	0	110.5	P324	P324-T326 PolarHBondContact O-N 2.97Å
327	P	34	Very low	30.9	Very low	117 Å²	117	131.8 Å²	131.8	76%	0.76	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-69.3	138.7	-178.1	28	-32.3	0	0	0	110.7	S329	P327-S329 PolarHBondContact O-N 2.96Å
328	P	33.9	Very low	31.3	Very low	125 Å²	125	134.9 Å²	134.9	81%	0.812	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.2	122.3	171.7	26.9	-30	0	0	0	109.4
329	S	29	Very low	31.8	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-46.9	137.8	166.1	-169.3	0	0	0	0	110.6	P327 R331	P327-S329 PolarHBondContact O-N 2.96Å; S329-R331 PolarHBondContact O-N 3.45Å; S329-R331 VanDerWaalsContact O-N 3.09Å
330	P	30.5	Very low	31.9	Very low	117 Å²	117	133.9 Å²	133.9	76%	0.76	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-66.2	116.9	-175.7	25.7	-30.9	0	0	0	109.7	N332	P330-N332 PolarHBondContact O-N 3.07Å
331	R	28.4	Very low	32.1	Very low	238 Å²	238	130.5 Å²	130.5	90%	0.898	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-50.7	125.7	168.4	-77.1	178.4	171.5	156.5	-2.3	109.2	S329 L333	S329-R331 PolarHBondContact O-N 3.45Å; S329-R331 VanDerWaalsContact O-N 3.09Å; R331-L333 PolarHBondContact O-N 3.39Å
332	N	28.3	Very low	32.9	Very low	156 Å²	156	128.4 Å²	128.4	83%	0.834	71%	0.71	S	S	*	*			trans	-44	104.7	168.9	-70.3	-49.9	0	0	0	111	P330 L334	P330-N332 PolarHBondContact O-N 3.07Å; N332-L334 PolarHBondContact O-N 3Å; N332-L334 VanDerWaalsContact O-N 3.15Å
333	L	27.8	Very low	33.6	Very low	165 Å²	165	121.6 Å²	121.6	86%	0.864	68%	0.675	S	S	*	*			trans	-69.2	102.6	161.3	-75.5	166.2	0	0	0	107.1	R331 P335	R331-L333 PolarHBondContact O-N 3.39Å; L333-P335 VanDerWaalsContact O-CD 3.22Å; L333-P335 WeakPolarHBondContact O-CD 3.4Å
334	L	35	Very low	34.2	Very low	156 Å²	156	116.2 Å²	116.2	82%	0.817	64%	0.642	S	S	*	*			trans	-56.6	120.8	163.8	-81.2	143.9	0	0	0	109.5	N332 Y336	N332-L334 PolarHBondContact O-N 3Å; N332-L334 VanDerWaalsContact O-N 3.15Å; L334-Y336 PolarHBondContact O-N 2.85Å
335	P	32.6	Very low	34.4	Very low	125 Å²	125	111 Å²	111	81%	0.812	61%	0.609	S	S	*	*			trans	-84.1	111.4	166.2	-5.1	24.7	0	0	0	109.3	L333	L333-P335 VanDerWaalsContact O-CD 3.22Å; L333-P335 WeakPolarHBondContact O-CD 3.4Å
336	Y	30.1	Very low	34.7	Very low	227 Å²	227	115.5 Å²	115.5	89%	0.89	61%	0.605	S	S	*	*			trans	-65.4	132.6	162.4	-110.1	-96	0	0	0	110.4	L334	L334-Y336 PolarHBondContact O-N 2.85Å
337	G	28.1	Very low	34.8	Very low	58 Å²	58	113.7 Å²	113.7	60%	0.598	59%	0.59	S	S	*	*			trans	158.1	106	162	0	0	0	0	0	114.7	R339	G337-R339 PolarHBondContact O-N 3.18Å
338	H	36.1	Very low	35.1	Very low	137 Å²	137	109.2 Å²	109.2	63%	0.634	56%	0.559	S	S	*	*			trans	-48.5	113.5	174.5	-66.4	-104.8	0	0	0	113	Y279	Y279-H338 AromaticContact CZ-CE1 3.63Å; Y279-H338 AromaticContact CZ-ND1 3.86Å; Y279-H338 PolarHBondContact OH-CE1 2.78Å
339	R	38.4	Very low	35.3	Very low	114 Å²	114	106.8 Å²	106.8	43%	0.43	54%	0.538	S	S	.	.			trans	-88.1	100.6	167.5	-66.4	-173.5	-171.6	-166.7	4.5	109.2	A151 G337	A151-R339 WeakPolarHBondContact CA-O 3.3Å; A151-R339 VanDerWaalsContact CB-O 3.23Å; A151-R339 WeakPolarHBondContact CB-O 3.41Å; A151-R339 PolarHBondContact N-O 3.41Å; G337-R339 PolarHBondContact O-N 3.18Å
340	K	34.7	Very low	35.3	Very low	130 Å²	130	109.7 Å²	109.7	57%	0.565	54%	0.54	S	S	*	.			trans	-58.3	144.9	171.5	-50.9	-175.7	172.3	-173.5	0	110.2	H342	K340-H342 PolarHBondContact O-N 3.3Å
341	C	35.5	Very low	35.3	Very low	22 Å²	22	108.7 Å²	108.7	15%	0.149	52%	0.524	C	S	.	.			trans	-45.9	131.4	169.9	-51.7	0	0	0	0	109.8	S150 E275 S343	S150-C341 WeakPolarHBondContact CB-SG 3.37Å; E275-C341 HydrophobicContact CG-CB 4.46Å; C341-S343 PolarHBondContact O-N 3.44Å; C341-S343 VanDerWaalsContact O-N 3.16Å
342	H	48.8	Very low	35.5	Very low	65 Å²	65	99.1 Å²	99.1	30%	0.301	49%	0.49	S	S	.	.			trans	-78.2	97.9	170.6	-70.5	-86.6	0	0	0	106.5	F98 K340	F98-H342 WeakPolarHBondContact CE1-O 3.42Å; K340-H342 PolarHBondContact O-N 3.3Å
343	S	43.9	Very low	35.4	Very low	17 Å²	17	97.7 Å²	97.7	12%	0.119	48%	0.482	C	S	.	.			trans	-96.7	142.9	164.7	162.4	0	0	0	0	108.3	N99 Q271 C341 G345	N99-S343 PolarHBondContact ND2-OG 2.83Å; N99-S343 VanDerWaalsContact ND2-OG 3.14Å; N99-S343 VanDerWaalsContact OD1-CA 3.3Å; N99-S343 WeakPolarHBondContact OD1-CA 3.38Å; N99-S343 WeakPolarHBondContact OD1-CB 3.47Å; N99-S343 PolarHBondContact OD1-OG 3.19Å; Q271-S343 PolarHBondContact NE2-OG 3.06Å; Q271-S343 PolarHBondContact OE1-OG 2.92Å; C341-S343 PolarHBondContact O-N 3.44Å; C341-S343 VanDerWaalsContact O-N 3.16Å; S343-G345 PolarHBondContact O-N 2.73Å; S343-G345 PolarHBondContact OG-N 2.8Å
344	L	45.3	Very low	35.5	Very low	17 Å²	17	93.5 Å²	93.5	9%	0.089	46%	0.463	C	S	.	.	S	Bend	trans	-75.7	1	174.3	-77	178.9	0	0	0	112.8	T95 F98 N99 Y202 F348	T95-L344 HydrophobicContact CG2-CB 3.49Å; T95-L344 VanDerWaalsContact CG2-CB 3.49Å; F98-L344 HydrophobicContact CB-CD1 3.69Å; F98-L344 HydrophobicContact CB-CG 4.49Å; F98-L344 HydrophobicContact CD1-CB 4.32Å; F98-L344 HydrophobicContact CD1-CD1 3.8Å; F98-L344 HydrophobicContact CD1-CG 3.76Å; F98-L344 HydrophobicContact CD2-CD1 3.68Å; F98-L344 HydrophobicContact CD2-CG 4.36Å; F98-L344 HydrophobicContact CE1-CD1 4.35Å; F98-L344 HydrophobicContact CE1-CG 4.01Å; F98-L344 HydrophobicContact CE2-CD1 4.23Å; F98-L344 HydrophobicContact CG-CD1 3.44Å; F98-L344 VanDerWaalsContact CG-CD1 3.44Å; F98-L344 HydrophobicContact CG-CG 3.95Å; F98-L344 HydrophobicContact CZ-CG 4.4Å; N99-L344 PolarHBondContact OD1-N 3.07Å; N99-L344 VanDerWaalsContact OD1-N 3.12Å; Y202-L344 HydrophobicContact CE2-CD1 4.16Å; Y202-L344 HydrophobicContact CE2-CD2 3.88Å; Y202-L344 HydrophobicContact CE2-CG 4.39Å; Y202-L344 WeakPolarHBondContact OH-CD2 3.42Å; L344-F348 HydrophobicContact CD2-CD2 4.31Å; L344-F348 HydrophobicContact CD2-CE2 4.47Å
345	G	37.3	Very low	35.1	Very low	7 Å²	7	88.5 Å²	88.5	7%	0.072	44%	0.439	C	S	.	.	S	Bend	trans	-103.4	132	179.2	0	0	0	0	0	115.1	S343 N347	S343-G345 PolarHBondContact O-N 2.73Å; S343-G345 PolarHBondContact OG-N 2.8Å; G345-N347 PolarHBondContact O-N 3.01Å
346	Y	36.8	Very low	34.9	Very low	202 Å²	202	89.9 Å²	89.9	79%	0.792	44%	0.435	S	S	*	.	S	Bend	trans	53.2	-19	175.6	-130.7	-89.9	0	0	0	118.7
347	N	36.8	Very low	35	Very low	87 Å²	87	82.9 Å²	82.9	47%	0.465	41%	0.409	S	S	.	.			trans	-111.5	2	-173.6	-71	-75.3	0	0	0	114.6	G345 I349 H350	G345-N347 PolarHBondContact O-N 3.01Å; N347-I349 VanDerWaalsContact C-N 3.25Å; N347-I349 PolarHBondContact O-N 3.09Å; N347-H350 PolarHBondContact O-N 2.84Å
348	F	40.6	Very low	35.2	Very low	24 Å²	24	88 Å²	88	11%	0.105	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-38.6	-179.4	-173	-116.9	0	0	0	111.9	G204 S208 L344 M352	G204-F348 WeakPolarHBondContact O-CZ 3.35Å; S208-F348 WeakPolarHBondContact OG-CE1 3.38Å; S208-F348 WeakPolarHBondContact OG-CZ 3.47Å; L344-F348 HydrophobicContact CD2-CD2 4.31Å; L344-F348 HydrophobicContact CD2-CE2 4.47Å; F348-M352 HydrophobicContact CD2-SD 4.4Å; F348-M352 HydrophobicContact CE2-SD 3.74Å; F348-M352 HydrophobicContact CZ-SD 4.03Å
349	I	37	Very low	35	Very low	74 Å²	74	86.1 Å²	86.1	38%	0.379	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-84.6	-28.2	-174.5	-61.8	177.8	0	0	0	112.9	T211 N347 K351	T211-I349 HydrophobicContact CG2-CD1 3.89Å; N347-I349 VanDerWaalsContact C-N 3.25Å; N347-I349 PolarHBondContact O-N 3.09Å; I349-K351 VanDerWaalsContact C-N 3.26Å; I349-K351 PolarHBondContact O-N 2.7Å
350	H	28.1	Very low	34.8	Very low	165 Å²	165	84.3 Å²	84.3	76%	0.764	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-76.7	-8.9	-179.5	-83.2	-61.8	0	0	0	114.6	N347	N347-H350 PolarHBondContact O-N 2.84Å
351	K	31.7	Very low	34.9	Very low	97 Å²	97	83.1 Å²	83.1	42%	0.422	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-111.3	-7.9	178.2	-90.1	-174.7	176.2	-178.5	0	115.4	I349	I349-K351 VanDerWaalsContact C-N 3.26Å; I349-K351 PolarHBondContact O-N 2.7Å
352	M	32.5	Very low	34.9	Very low	37 Å²	37	89.4 Å²	89.4	18%	0.182	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	4.6	-173.4	-61.4	-151.8	88.6	0	0	116	K180 Y184 F348 T354	K180-M352 HydrophobicContact CB-CE 3.93Å; K180-M352 HydrophobicContact CD-CE 4.27Å; Y184-M352 HydrophobicContact CE2-CE 3.6Å; Y184-M352 HydrophobicContact CE2-SD 4.14Å; F348-M352 HydrophobicContact CD2-SD 4.4Å; F348-M352 HydrophobicContact CE2-SD 3.74Å; F348-M352 HydrophobicContact CZ-SD 4.03Å; M352-T354 PolarHBondContact O-N 3.11Å
353	N	25.9	Very low	34.1	Very low	125 Å²	125	92.2 Å²	92.2	67%	0.668	48%	0.479	S	S	*	.	S	Bend	trans	-69.8	27.9	171.8	-96.5	12.5	0	0	0	114.8	T512	N353-T512 HydrophobicContact CB-CG2 4.3Å
354	T	29.6	Very low	33.7	Very low	77 Å²	77	99.3 Å²	99.3	47%	0.472	52%	0.516	S	S	.	.			trans	-153.7	62.8	174.4	-37.8	0	0	0	0	112.3	M352 S511	M352-T354 PolarHBondContact O-N 3.11Å; T354-S511 WeakPolarHBondContact CG2-OG 3.43Å; T354-S511 PolarHBondContact OG1-OG 2.91Å
355	V	28.1	Very low	33.3	Very low	52 Å²	52	101.8 Å²	101.8	32%	0.315	54%	0.539	S	S	.	.			trans	-136.2	122.6	149.8	-170.8	0	0	0	0	105.8	F357	V355-F357 HydrophobicContact CB-CE1 4.42Å; V355-F357 PolarHBondContact O-N 3.14Å; V355-F357 VanDerWaalsContact O-N 3.16Å
356	E	28.4	Very low	33.5	Very low	154 Å²	154	103.9 Å²	103.9	72%	0.72	56%	0.56	S	S	*	*			trans	-57.5	117.4	168.3	-79.8	175.2	165.6	0	0	107.9	K358	E356-K358 PolarHBondContact O-N 2.95Å
357	F	31.1	Very low	33.6	Very low	80 Å²	80	98.8 Å²	98.8	35%	0.351	55%	0.554	S	S	.	*			trans	-82.5	99.3	169.3	-72.1	-14.6	0	0	0	108.1	N183 V355 S359	N183-F357 HydrophobicContact CB-CD1 3.19Å; N183-F357 HydrophobicContact CB-CE1 3.03Å; N183-F357 HydrophobicContact CB-CG 4.16Å; N183-F357 HydrophobicContact CB-CZ 3.89Å; N183-F357 WeakPolarHBondContact ND2-CD1 3.48Å; N183-F357 VanDerWaalsContact ND2-CE1 3.26Å; N183-F357 WeakPolarHBondContact ND2-CE1 3.36Å; N183-F357 VanDerWaalsContact ND2-CZ 3.32Å; N183-F357 WeakPolarHBondContact ND2-CZ 3.48Å; N183-F357 WeakPolarHBondContact OD1-CE1 3.36Å; N183-F357 WeakPolarHBondContact OD1-CZ 3.36Å; V355-F357 HydrophobicContact CB-CE1 4.42Å; V355-F357 PolarHBondContact O-N 3.14Å; V355-F357 VanDerWaalsContact O-N 3.16Å; F357-S359 PolarHBondContact O-N 2.9Å
358	K	32.5	Very low	33.9	Very low	165 Å²	165	101 Å²	101	72%	0.717	56%	0.556	S	S	*	*			trans	-73.9	112.5	152.5	-74.3	-176.3	177.8	-179	0	106.7	E356 A360	E356-K358 PolarHBondContact O-N 2.95Å; K358-A360 PolarHBondContact O-N 3.3Å; K358-A360 VanDerWaalsContact O-N 3.08Å
359	S	32.3	Very low	34.1	Very low	98 Å²	98	106 Å²	106	69%	0.685	58%	0.579	S	S	*	*			trans	-57.3	112.4	172.5	-168.9	0	0	0	0	108.7	F357	F357-S359 PolarHBondContact O-N 2.9Å
360	A	34.5	Very low	34.4	Very low	76 Å²	76	110.5 Å²	110.5	63%	0.628	60%	0.604	S	S	*	*			trans	-106.9	36.9	179.1	0	0	0	0	0	111.3	K358	K358-A360 PolarHBondContact O-N 3.3Å; K358-A360 VanDerWaalsContact O-N 3.08Å
361	T	36.6	Very low	35	Very low	105 Å²	105	110.6 Å²	110.6	64%	0.644	61%	0.609	S	S	*	*			trans	-143.3	54.8	176.9	-42.2	0	0	0	0	111.9
362	F	35.3	Very low	35.5	Very low	154 Å²	154	111.5 Å²	111.5	68%	0.675	62%	0.618	S	S	*	*			trans	-155.5	110	151.7	-62.5	-69.6	0	0	0	109	N364	F362-N364 PolarHBondContact O-N 3.38Å
363	P	32.4	Very low	36	Very low	123 Å²	123	115.5 Å²	115.5	80%	0.799	64%	0.64	S	S	*	*			trans	-66.4	118.5	146	14.1	-1.3	0	0	0	106.1	A365	P363-A365 PolarHBondContact O-N 3.13Å
364	N	36	Very low	36.8	Very low	166 Å²	166	112.9 Å²	112.9	89%	0.888	63%	0.632	S	S	*	*			trans	-68.9	83.6	173.5	-163.3	25.4	0	0	0	108.3	F362	F362-N364 PolarHBondContact O-N 3.38Å
365	A	36	Very low	37.2	Very low	70 Å²	70	114.2 Å²	114.2	58%	0.579	64%	0.64	S	S	*	*			trans	-97.6	114.3	167.7	0	0	0	0	0	106.9	P363	P363-A365 PolarHBondContact O-N 3.13Å
366	G	41.6	Very low	37.7	Very low	50 Å²	50	117.1 Å²	117.1	52%	0.515	65%	0.653	S	S	.	*			trans	-55.7	161.4	178.2	0	0	0	0	0	112.7	R368	G366-R368 PolarHBondContact O-N 3.35Å
367	S	38.7	Very low	38.2	Very low	95 Å²	95	117.8 Å²	117.8	66%	0.664	66%	0.656	S	S	*	*			trans	-52.3	123.6	176.5	38.7	0	0	0	0	111.5
368	R	44.2	Very low	38.3	Very low	134 Å²	134	119.4 Å²	119.4	51%	0.506	68%	0.677	S	S	.	*	B	Isolated β-bridge	trans	-104.3	153.4	176.7	-66.5	178	176.6	-121.1	-3	110.5	G366 D373	G366-R368 PolarHBondContact O-N 3.35Å; R368-D373 PolarHBondContact NH1-O 3.23Å; R368-D373 IonicContact NH1-OD1 3.95Å
369	H	43	Very low	38.3	Very low	128 Å²	128	119.7 Å²	119.7	59%	0.593	68%	0.681	S	S	*	*			trans	-71.7	139.3	175.8	-135.7	-92.7	0	0	0	110.7	L371 S374	H369-L371 VanDerWaalsContact C-N 3.28Å; H369-L371 PolarHBondContact O-N 2.9Å; H369-S374 PolarHBondContact N-O 2.95Å
370	L	43.1	Very low	38.2	Very low	170 Å²	170	120.2 Å²	120.2	89%	0.89	69%	0.685	S	S	*	*	S	Bend	trans	-78.3	2.6	-169.8	-88.7	166.5	0	0	0	116
371	L	40.9	Very low	38.1	Very low	167 Å²	167	122.8 Å²	122.8	87%	0.874	70%	0.695	S	S	*	*	S	Bend	trans	-130.4	-14.3	-175.8	-66.4	175.1	0	0	0	114.2	H369	H369-L371 VanDerWaalsContact C-N 3.28Å; H369-L371 PolarHBondContact O-N 2.9Å
372	D	42.4	Very low	37.8	Very low	116 Å²	116	123.7 Å²	123.7	62%	0.62	71%	0.705	S	S	*	*	S	Bend	trans	-156.9	124.2	176	-176.4	16.6	0	0	0	106.5	S374	D372-S374 PolarHBondContact O-N 2.76Å
373	D	42.7	Very low	37.5	Very low	120 Å²	120	128.5 Å²	128.5	64%	0.642	72%	0.719	S	S	*	*			trans	-70.3	31.7	-159.2	-102.6	-44.4	0	0	0	115.5	R368	R368-D373 PolarHBondContact NH1-O 3.23Å; R368-D373 IonicContact NH1-OD1 3.95Å
374	S	44.1	Very low	37.4	Very low	71 Å²	71	125.9 Å²	125.9	50%	0.497	71%	0.714	S	S	.	*			trans	-77.8	140.4	-179.9	-63.7	0	0	0	0	112.5	H369 D372	H369-S374 PolarHBondContact N-O 2.95Å; D372-S374 PolarHBondContact O-N 2.76Å
375	V	37.8	Very low	36.9	Very low	104 Å²	104	127.3 Å²	127.3	63%	0.63	72%	0.716	S	S	*	*	B	Isolated β-bridge	trans	-81.4	133.1	-179.4	176.8	0	0	0	0	110.4	E377	V375-E377 PolarHBondContact O-N 2.99Å
376	L	38.6	Very low	36.6	Very low	113 Å²	113	128.4 Å²	128.4	59%	0.592	73%	0.725	S	S	*	*			trans	-76.9	112.7	176.8	-151.6	84.2	0	0	0	110.3	S378	L376-S378 PolarHBondContact O-N 3.39Å
377	E	37.9	Very low	36	Very low	168 Å²	168	134.6 Å²	134.6	79%	0.785	74%	0.74	S	S	*	*			trans	-78.5	117.9	175.1	-120.1	172.1	-174.7	0	0	110.5	V375	V375-E377 PolarHBondContact O-N 2.99Å
378	S	34.7	Very low	35.5	Very low	115 Å²	115	135.3 Å²	135.3	80%	0.804	75%	0.745	S	S	*	*			trans	-90.5	103.3	179.4	56.6	0	0	0	0	111	L376	L376-S378 PolarHBondContact O-N 3.39Å
379	H	30.6	Very low	34.8	Very low	170 Å²	170	133.8 Å²	133.8	79%	0.787	76%	0.755	S	S	*	*			trans	-92.7	117.8	165.4	-70.1	-67.8	0	0	0	110.5
380	S	30.4	Very low	34.1	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	76%	0.762	S	S	*	*			trans	-116.1	125.6	161.8	53.7	0	0	0	0	109
381	P	33.2	Very low	33.4	Very low	129 Å²	129	132.9 Å²	132.9	84%	0.838	76%	0.759	S	S	*	*			trans	-83.3	138.2	-178.3	32	-30.8	0	0	0	111.5
382	S	29.8	Very low	32.8	Very low	124 Å²	124	129.8 Å²	129.8	87%	0.867	75%	0.751	S	S	*	*			trans	-79.6	136	166.7	42.2	0	0	0	0	110.8
383	R	30.3	Very low	32.3	Very low	255 Å²	255	130 Å²	130	96%	0.962	76%	0.762	S	S	*	*			trans	-108.2	134.9	171.1	176.6	-175.8	172.7	178.1	-1.1	106.5
384	G	28.7	Very low	31.6	Very low	68 Å²	68	128.2 Å²	128.2	70%	0.701	77%	0.772	S	S	*	*			cis	167.5	149.9	-3.2	0	0	0	0	0	107.3
385	Q	27.1	Very low	31	Very low	197 Å²	197	133 Å²	133	92%	0.921	79%	0.79	S	S	*	*			trans	-163.1	124.6	152.6	-118.6	-179	-5.2	0	0	111.2
386	A	29.2	Very low	30.6	Very low	92 Å²	92	132.7 Å²	132.7	76%	0.76	79%	0.793	S	S	*	*			trans	34.8	133.9	155	0	0	0	0	0	119.8
387	E	29.1	Very low	30.2	Very low	181 Å²	181	135.5 Å²	135.5	85%	0.846	81%	0.807	S	S	*	*			cis	-160.4	156.2	46.6	-72.5	-177.7	159.3	0	0	112.7
388	S	27.4	Very low	29.7	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	80%	0.802	S	S	*	*			trans	53.5	118.3	146	-77.7	0	0	0	0	124.4
389	S	28.9	Very low	29.5	Very low	103 Å²	103	131.2 Å²	131.2	72%	0.72	81%	0.806	S	S	*	*				103.9	128.3	118.8	71.7	0	0	0	0	121.6
390	T	28.7	Very low	29.4	Very low	118 Å²	118	127.5 Å²	127.5	72%	0.724	80%	0.8	S	S	*	*			trans	81.8	107.3	144.5	58.3	0	0	0	0	122.6
391	L	29.5	Very low	29.4	Very low	161 Å²	161	131.3 Å²	131.3	84%	0.843	81%	0.806	S	S	*	*				90.2	116.3	121.1	-65.4	171.2	0	0	0	121.7
392	S	28.4	Very low	29.2	Very low	101 Å²	101	128.4 Å²	128.4	71%	0.706	80%	0.799	S	S	*	*				93.9	108.3	124.5	-158.7	0	0	0	0	121.7
393	S	31	Very low	29.3	Very low	120 Å²	120	127.8 Å²	127.8	84%	0.839	80%	0.795	S	S	*	*				47.1	130.8	123.4	-36.4	0	0	0	0	121.9
394	G	29.1	Very low	29.2	Very low	83 Å²	83	123.7 Å²	123.7	86%	0.856	79%	0.786	S	S	*	*			trans	165.7	100.1	154.2	0	0	0	0	0	116
395	I	31.3	Very low	29.2	Very low	171 Å²	171	127.8 Å²	127.8	88%	0.877	79%	0.791	S	S	*	*			trans	-79.6	152.8	173	36.3	167.7	0	0	0	112.8
396	S	28.1	Very low	29.1	Very low	99 Å²	99	123.5 Å²	123.5	69%	0.692	78%	0.783	S	S	*	*				132.8	119	124.3	-151.6	0	0	0	0	119
397	L	30.9	Very low	29.1	Very low	171 Å²	171	127.6 Å²	127.6	90%	0.895	79%	0.786	S	S	*	*				47.1	137.7	129.8	-69.9	159.6	0	0	0	125.3
398	G	27.4	Very low	29	Very low	66 Å²	66	126.4 Å²	126.4	68%	0.68	78%	0.781	S	S	*	*			trans	120.7	106.6	142.5	0	0	0	0	0	115.4
399	S	29.9	Very low	28.9	Very low	127 Å²	127	128.1 Å²	128.1	89%	0.888	78%	0.778	S	S	*	*				68.4	140.3	86.2	-166.8	0	0	0	0	112.9
400	S	30	Very low	28.6	Very low	93 Å²	93	128.3 Å²	128.3	65%	0.65	78%	0.78	S	S	*	*			cis	-179.5	168.8	-10.2	175.2	0	0	0	0	105.4
401	E	30.1	Very low	28.4	Very low	190 Å²	190	134.3 Å²	134.3	89%	0.888	79%	0.79	S	S	*	*			trans	78.5	139.8	163.7	-44.2	-164.3	155.6	0	0	117.2
402	G	28.4	Very low	28.5	Very low	67 Å²	67	132.7 Å²	132.7	69%	0.691	79%	0.788	S	S	*	*			cis	175.3	160.4	2.8	0	0	0	0	0	109.3
403	S	32.4	Very low	28.4	Very low	112 Å²	112	132.1 Å²	132.1	78%	0.783	79%	0.79	S	S	*	*			trans	33.4	151.9	149.7	-65.3	0	0	0	0	121.3
404	E	27.8	Very low	28	Very low	168 Å²	168	135.3 Å²	135.3	79%	0.785	79%	0.789	S	S	*	*			cis	-175.4	173.4	7.8	-113.7	175.3	-179.5	0	0	106.8
405	L	27.5	Very low	27.8	Very low	154 Å²	154	138.7 Å²	138.7	81%	0.806	78%	0.783	S	S	*	*			trans	120.1	104	149.8	-59.1	177	0	0	0	118.5
406	S	26.8	Very low	27.6	Very low	107 Å²	107	141.2 Å²	141.2	75%	0.748	78%	0.781	S	S	*	*			trans	-6.8	151.3	133.6	-33.4	0	0	0	0	117.5
407	E	28	Very low	27.4	Very low	178 Å²	178	141.7 Å²	141.7	83%	0.832	78%	0.78	S	S	*	*				-165.3	136.6	53.3	-77.4	172.4	150.9	0	0	107.9
408	E	26.4	Very low	27.3	Very low	157 Å²	157	144.1 Å²	144.1	73%	0.734	78%	0.777	S	S	*	*				75.5	129	88.9	-119.2	-162.8	175.8	0	0	118.8
409	M	25.4	Very low	27.3	Very low	144 Å²	144	148.1 Å²	148.1	71%	0.709	78%	0.776	S	S	*	*			trans	87.9	117	143	-107.3	56.6	143.3	0	0	124
410	S	23.1	Very low	27.2	Very low	107 Å²	107	150.4 Å²	150.4	75%	0.748	77%	0.767	S	S	*	*				89.1	126.5	128.3	-64.2	0	0	0	0	123.9
411	W	24.2	Very low	27	Very low	245 Å²	245	155.4 Å²	155.4	93%	0.928	78%	0.779	S	S	*	*			trans	-60.7	165.3	163.8	-64.9	95.4	0	0	0	114.6
412	P	32.1	Very low	26.9	Very low	126 Å²	126	150.4 Å²	150.4	82%	0.818	77%	0.766	S	S	*	*				-148	175.4	100.6	36.1	-17.5	0	0	0	116.1
413	A	25.6	Very low	26.9	Very low	90 Å²	90	155.4 Å²	155.4	74%	0.744	78%	0.775	S	S	*	*			trans	-92.1	176.7	-176.1	0	0	0	0	0	115.3
414	F	24.3	Very low	26.6	Very low	186 Å²	186	153.4 Å²	153.4	82%	0.816	77%	0.772	S	S	*	*			trans	114.6	142.4	151.3	-105.5	-91.2	0	0	0	121.1
415	E	24.9	Very low	27.6	Very low	154 Å²	154	151.3 Å²	151.3	72%	0.72	77%	0.774	S	S	*	*			trans	-62.7	164.9	-165.8	-55	168.3	141.1	0	0	117.9
416	R	26.6	Very low	27.6	Very low	224 Å²	224	149.8 Å²	149.8	85%	0.845	77%	0.77	S	S	*	*				164.6	109.5	112	-165.9	175.9	-87.1	173.8	-4.5	114.2
417	T	24.1	Very low	27.5	Very low	110 Å²	110	150.2 Å²	150.2	68%	0.675	77%	0.769	S	S	*	*				50.7	138.2	129.1	-20.2	0	0	0	0	124.7
418	R	28.7	Very low	27.5	Very low	222 Å²	222	152.8 Å²	152.8	84%	0.838	77%	0.771	S	S	*	*			trans	107.3	146.6	139.6	-57.7	-154.4	-177.6	165.4	2.6	118.7
419	F	27.5	Very low	27.4	Very low	150 Å²	150	152.1 Å²	152.1	66%	0.658	78%	0.777	S	S	*	*			cis	-165.2	141	-13	-119.5	-117.5	0	0	0	106.7
420	Y	26.5	Very low	27.4	Very low	175 Å²	175	149.3 Å²	149.3	69%	0.686	78%	0.777	S	S	*	*			trans	39.8	137.1	143.4	-65.1	-107.8	0	0	0	123.3
421	H	27.4	Very low	27.5	Very low	197 Å²	197	155.9 Å²	155.9	91%	0.912	79%	0.785	S	S	*	*				-157.7	137.3	110.4	-104	61.4	0	0	0	112.1
422	S	26.7	Very low	27.6	Very low	86 Å²	86	151.7 Å²	151.7	60%	0.601	78%	0.779	S	S	*	*			trans	-110.4	159	178.3	49.6	0	0	0	0	110.4
423	L	29.9	Very low	27.8	Very low	171 Å²	171	150.8 Å²	150.8	90%	0.895	77%	0.774	S	S	*	*				168.5	127.8	124.8	-84.8	169	0	0	0	110.4
424	G	24.6	Very low	27.8	Very low	70 Å²	70	157 Å²	157	72%	0.722	78%	0.779	S	S	*	*			trans	-87.6	-137.1	171.5	0	0	0	0	0	112
425	P	48.5	Very low	27.8	Very low	125 Å²	125	159.9 Å²	159.9	81%	0.812	79%	0.785	S	S	*	*			cis	-133.7	-169.3	-36.3	27.1	-3.7	0	0	0	112.6
426	V	28.2	Very low	27.8	Very low	122 Å²	122	155.9 Å²	155.9	74%	0.739	79%	0.785	S	S	*	*			trans	129.6	111.7	141	177.7	0	0	0	0	119.2
427	T	25.9	Very low	27.7	Very low	116 Å²	116	152.4 Å²	152.4	71%	0.712	79%	0.788	S	S	*	*			trans	62.7	128.1	142	61.7	0	0	0	0	128
428	R	26.8	Very low	27.8	Very low	232 Å²	232	155.1 Å²	155.1	88%	0.875	80%	0.798	S	S	*	*			trans	49.3	127.8	130.1	-62.9	-173.6	176.4	-178.2	0.5	122.2
429	V	25.5	Very low	27.6	Very low	142 Å²	142	155.9 Å²	155.9	86%	0.861	80%	0.8	S	S	*	*				158.1	148	107.6	171	0	0	0	0	110.9
430	A	24.2	Very low	27.7	Very low	86 Å²	86	154.2 Å²	154.2	71%	0.711	81%	0.805	S	S	*	*			trans	-64.8	161	-173.2	0	0	0	0	0	118.7
431	R	25.2	Very low	27.7	Very low	245 Å²	245	151.7 Å²	151.7	93%	0.925	81%	0.813	S	S	*	*			trans	-176.2	133.4	130.9	-102.5	174.7	-163.4	-169.9	5.5	113.2
432	I	26.8	Very low	27.6	Very low	156 Å²	156	147.5 Å²	147.5	80%	0.8	81%	0.806	S	S	*	*			trans	-94	141.8	155.7	-70.8	170	0	0	0	105.9
433	P	35.8	Very low	27.9	Very low	108 Å²	108	149.3 Å²	149.3	70%	0.701	82%	0.818	S	S	*	*				-154.9	147.7	93.7	30.2	-5.1	0	0	0	120.6
434	Y	24.7	Very low	27.9	Very low	220 Å²	220	145.3 Å²	145.3	86%	0.863	81%	0.81	S	S	*	*			trans	63.2	138.3	135.5	-80	-83.2	0	0	0	126.4
435	R	26.2	Very low	28.2	Very low	247 Å²	247	150.8 Å²	150.8	93%	0.932	82%	0.817	S	S	*	*			trans	103.7	124.5	158.4	-77.8	-168.4	174.8	-161.7	0	114.1
436	G	23.7	Very low	27.2	Very low	70 Å²	70	150.6 Å²	150.6	72%	0.722	82%	0.818	S	S	*	*			cis	124.5	99.1	11.5	0	0	0	0	0	109.4
437	V	25.4	Very low	27.3	Very low	151 Å²	151	154.1 Å²	154.1	92%	0.915	83%	0.827	S	S	*	*			trans	-147.7	125.8	162.2	179.1	0	0	0	0	109.5
438	L	25.3	Very low	27.4	Very low	167 Å²	167	157.4 Å²	157.4	87%	0.874	83%	0.834	S	S	*	*			trans	-84.4	146.5	172.6	-76.6	144.3	0	0	0	110.4
439	R	25.3	Very low	27.7	Very low	237 Å²	237	154 Å²	154	89%	0.894	83%	0.832	S	S	*	*				167	175.5	112.4	-135.5	-175.7	-177.6	-179.6	0.1	111.3
440	P	29.7	Very low	28	Very low	116 Å²	116	150.3 Å²	150.3	75%	0.753	82%	0.817	S	S	*	*				-105.9	158.1	-100.4	38	-22.8	0	0	0	113.5
441	S	25	Very low	28.3	Very low	122 Å²	122	151.8 Å²	151.8	85%	0.853	82%	0.817	S	S	*	*			trans	-120.5	130.1	161.7	60.9	0	0	0	0	111.7
442	S	26.1	Very low	28.7	Very low	108 Å²	108	149 Å²	149	76%	0.755	81%	0.814	S	S	*	*			trans	-69.3	139.9	-176.2	47.2	0	0	0	0	112.6	A444	S442-A444 PolarHBondContact O-N 3.32Å
443	S	32.9	Very low	29.1	Very low	124 Å²	124	148.2 Å²	148.2	87%	0.867	81%	0.811	S	S	*	*	S	Bend	trans	-58.2	103.1	161.3	51.2	0	0	0	0	111.5
444	A	30.9	Very low	29	Very low	87 Å²	87	149.5 Å²	149.5	72%	0.719	80%	0.802	S	S	*	*			trans	-157.5	22.4	168.2	0	0	0	0	0	114.8	S442	S442-A444 PolarHBondContact O-N 3.32Å
445	E	29.2	Very low	29.4	Very low	186 Å²	186	146.2 Å²	146.2	87%	0.869	81%	0.808	S	S	*	*			trans	-124	56.3	-178.7	-70.1	-168.4	154.3	0	0	112.6
446	S	29	Very low	30.5	Very low	121 Å²	121	136.2 Å²	136.2	85%	0.846	78%	0.781	S	S	*	*	S	Bend	trans	-139	9.8	173.4	-81.8	0	0	0	0	116.3
447	E	28.8	Very low	32.5	Very low	196 Å²	196	137 Å²	137	92%	0.916	78%	0.781	S	S	*	*	S	Bend	trans	-109.9	-5.9	179	-74.8	-168.7	150.1	0	0	115.7
448	E	30	Very low	35.1	Very low	184 Å²	184	132.4 Å²	132.4	86%	0.86	75%	0.753	S	S	*	*	S	Bend	trans	-108.6	11.9	-169	-141.5	175.1	-175.7	0	0	116.5	A450	E448-A450 PolarHBondContact O-N 3.16Å
449	L	32.2	Very low	38.1	Very low	161 Å²	161	127.2 Å²	127.2	84%	0.843	73%	0.729	S	S	*	*	S	Bend	trans	-92.5	14.4	-177.6	-82.8	165.2	0	0	0	115.4
450	A	31.1	Very low	41.3	Very low	65 Å²	65	116.5 Å²	116.5	54%	0.537	69%	0.689	S	S	.	*	S	Bend	trans	-113	18.3	-169.9	0	0	0	0	0	116.7	E448	E448-A450 PolarHBondContact O-N 3.16Å
451	V	31.4	Very low	44.4	Very low	116 Å²	116	114.7 Å²	114.7	70%	0.703	67%	0.671	S	S	*	*			trans	-119.3	-6.5	-174.9	-170.1	0	0	0	0	115.4	L453	V451-L453 PolarHBondContact O-N 3.3Å
452	H	33.1	Very low	47.6	Very low	187 Å²	187	109.4 Å²	109.4	87%	0.866	64%	0.636	S	S	*	*			trans	-94.1	43.3	-173.7	-80.9	-68.9	0	0	0	116.9
453	L	36	Very low	50.9	Low	140 Å²	140	106.3 Å²	106.3	73%	0.733	61%	0.612	S	S	*	*	S	Bend	trans	-139.4	115.1	167.5	-69.8	167.4	0	0	0	109	V451	V451-L453 PolarHBondContact O-N 3.3Å
454	Y	34.1	Very low	53.8	Low	135 Å²	135	100.5 Å²	100.5	53%	0.529	57%	0.572	S	S	.	*			trans	86.5	123.5	-175.5	-58.1	-81.8	0	0	0	116.3	G456	Y454-G456 PolarHBondContact O-N 3.32Å
455	P	33.1	Very low	56.9	Low	151 Å²	151	100.2 Å²	100.2	98%	0.981	55%	0.554	S	S	*	*	S	Bend	trans	-76.5	42.9	167.2	33.5	-32.7	0	0	0	111.7
456	G	47.6	Very low	60	Low	36 Å²	36	92.4 Å²	92.4	37%	0.371	52%	0.517	S	S	.	.	S	Bend	trans	-139.8	104.9	166.5	0	0	0	0	0	106.5	Y454 V458	Y454-G456 PolarHBondContact O-N 3.32Å; G456-V458 PolarHBondContact O-N 3.29Å
457	A	66.8	Low	63.1	Low	86 Å²	86	89.9 Å²	89.9	71%	0.711	49%	0.491	S	S	*	.			trans	-47.5	123.6	-172.7	0	0	0	0	0	111.5	T459	A457-T459 PolarHBondContact O-N 2.85Å; A457-T459 PolarHBondContact O-OG1 2.9Å
458	V	80.6	Confident	66.2	Low	55 Å²	55	82.6 Å²	82.6	33%	0.333	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	115.8	174.7	177.5	0	0	0	0	108	G456 Q461 A487	G456-V458 PolarHBondContact O-N 3.29Å; V458-Q461 HydrophobicContact CG1-CB 3.95Å; V458-Q461 HydrophobicContact CG1-CG 4.01Å; V458-A487 HydrophobicContact CG1-CB 4.43Å
459	T	87.5	Confident	69.1	Low	59 Å²	59	76.4 Å²	76.4	36%	0.362	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-40.2	-172	-51.3	0	0	0	0	111.3	A457 L488 H563	A457-T459 PolarHBondContact O-N 2.85Å; A457-T459 PolarHBondContact O-OG1 2.9Å; T459-L488 HydrophobicContact CG2-CD2 4.48Å; T459-L488 PolarHBondContact N-O 2.93Å; T459-H563 HydrophobicContact CG2-CB 4.02Å; T459-H563 VanDerWaalsContact CG2-ND1 3.32Å; T459-H563 WeakPolarHBondContact CG2-ND1 3.32Å
460	V	92.5	Very high	71.9	Confident	11 Å²	11	71.1 Å²	71.1	7%	0.067	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	144.7	171.6	59.8	0	0	0	0	109.6	L488 L559 W560 H563	V460-L488 HydrophobicContact CG1-CB 3.8Å; V460-L488 HydrophobicContact CG1-CD2 3.99Å; V460-L488 PolarHBondContact O-N 2.83Å; V460-L559 HydrophobicContact CG2-CD2 4.17Å; V460-L559 HydrophobicContact CG2-CG 4.24Å; V460-W560 HydrophobicContact CG1-CD2 4.04Å; V460-W560 HydrophobicContact CG1-CE3 3.59Å; V460-W560 HydrophobicContact CG1-CH2 3.97Å; V460-W560 HydrophobicContact CG1-CZ2 4.41Å; V460-W560 HydrophobicContact CG1-CZ3 3.55Å; V460-W560 HydrophobicContact CG2-CD2 4.03Å; V460-W560 HydrophobicContact CG2-CE3 4.43Å; V460-W560 HydrophobicContact CG2-CG 4.43Å; V460-W560 HydrophobicContact CG2-CZ2 4.14Å; V460-H563 HydrophobicContact CB-CB 4.4Å; V460-H563 HydrophobicContact CG1-CB 3.8Å
461	Q	93.9	Very high	74.6	Confident	78 Å²	78	73.6 Å²	73.6	36%	0.364	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	158.1	173.7	61.1	174.1	-27.4	0	0	112.5	V458 W485 V486 A487	V458-Q461 HydrophobicContact CG1-CB 3.95Å; V458-Q461 HydrophobicContact CG1-CG 4.01Å; Q461-W485 HydrophobicContact CG-CZ2 4.27Å; Q461-V486 CarbonylContact C-O 3.56Å; Q461-V486 WeakPolarHBondContact CA-O 3.49Å; Q461-V486 WeakPolarHBondContact CB-O 3.42Å; Q461-A487 HydrophobicContact CB-CB 3.95Å
462	G	93.1	Very high	77.3	Confident	12 Å²	12	74.8 Å²	74.8	12%	0.124	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.3	-175.8	178.3	0	0	0	0	0	113.8	W485 V486	G462-W485 WeakPolarHBondContact O-CA 3.46Å; G462-V486 PolarHBondContact N-O 3.09Å; G462-V486 PolarHBondContact O-N 2.82Å
463	V	94.8	Very high	79.8	Confident	43 Å²	43	68.3 Å²	68.3	26%	0.261	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	124.2	179.5	-179.1	0	0	0	0	110.5	K483 Y484 W485 T504 F509	V463-K483 HydrophobicContact CG1-CD 3.92Å; V463-K483 HydrophobicContact CG1-CG 3.82Å; V463-Y484 WeakPolarHBondContact CA-O 3.31Å; V463-W485 HydrophobicContact CG2-CE3 3.65Å; V463-W485 HydrophobicContact CG2-CZ3 3.87Å; V463-T504 WeakPolarHBondContact CG2-O 3.18Å; V463-F509 HydrophobicContact CB-CZ 4.31Å; V463-F509 HydrophobicContact CG1-CE2 4.49Å; V463-F509 HydrophobicContact CG1-CZ 3.74Å; V463-F509 HydrophobicContact CG2-CE2 3.58Å; V463-F509 HydrophobicContact CG2-CZ 3.68Å
464	L	95.3	Very high	82.3	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.01	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139	172.1	-63.9	-179.2	0	0	0	110.3	Y484 V486 F536 Y549 Q550 A551 W560	L464-Y484 PolarHBondContact N-O 3.12Å; L464-Y484 PolarHBondContact O-N 3.03Å; L464-Y484 VanDerWaalsContact O-O 3.08Å; L464-V486 HydrophobicContact CB-CG2 3.93Å; L464-V486 HydrophobicContact CD1-CB 3.92Å; L464-V486 HydrophobicContact CD1-CG1 4.21Å; L464-V486 HydrophobicContact CD1-CG2 3.95Å; L464-V486 HydrophobicContact CG-CB 4.33Å; L464-V486 HydrophobicContact CG-CG2 4.2Å; L464-F536 HydrophobicContact CD1-CE1 4.45Å; L464-F536 HydrophobicContact CD1-CZ 3.91Å; L464-F536 HydrophobicContact CD2-CE1 4.13Å; L464-F536 HydrophobicContact CD2-CZ 4.4Å; L464-Y549 HydrophobicContact CB-CD1 4.26Å; L464-Y549 HydrophobicContact CD1-CD1 3.99Å; L464-Q550 WeakPolarHBondContact CA-O 3.37Å; L464-A551 HydrophobicContact CD2-CB 3.59Å; L464-W560 HydrophobicContact CD1-CD2 3.91Å; L464-W560 HydrophobicContact CD1-CE3 4.18Å; L464-W560 HydrophobicContact CD1-CG 4.45Å; L464-W560 HydrophobicContact CD1-CH2 4.25Å; L464-W560 HydrophobicContact CD1-CZ2 3.95Å; L464-W560 HydrophobicContact CD1-CZ3 4.34Å; L464-W560 HydrophobicContact CD2-CG 4.37Å; L464-W560 HydrophobicContact CG-CZ2 4.26Å
465	K	94.6	Very high	84.9	Confident	81 Å²	81	71.4 Å²	71.4	35%	0.352	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.3	159.3	-55.4	-179.8	-164.2	153.9	0	108.4	W481 T482 K483 Y549 Q550	K465-W481 HydrophobicContact CB-CD2 4.42Å; K465-W481 HydrophobicContact CB-CE3 3.56Å; K465-W481 HydrophobicContact CB-CZ3 4.03Å; K465-W481 WeakPolarHBondContact O-CZ3 3.28Å; K465-T482 CarbonylContact C-O 3.52Å; K465-T482 WeakPolarHBondContact CA-O 3.49Å; K465-K483 HydrophobicContact CG-CB 4.44Å; K465-K483 HydrophobicContact CG-CG 4.25Å; K465-Y549 CarbonylContact O-C 3.27Å; K465-Y549 VanDerWaalsContact O-CA 3.24Å; K465-Y549 WeakPolarHBondContact O-CA 3.42Å; K465-Q550 HydrophobicContact CB-CB 4.22Å; K465-Q550 PolarHBondContact N-O 2.92Å; K465-Q550 VanDerWaalsContact NZ-OE1 3.08Å; K465-Q550 PolarHBondContact O-N 3.36Å
466	R	94.4	Very high	87.5	Confident	22 Å²	22	66.3 Å²	66.3	8%	0.083	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.9	177.8	179.4	-176.1	169.4	-172.4	1.3	109.8	T482 Y484 K548 Y549	R466-T482 PolarHBondContact N-O 3.3Å; R466-T482 PolarHBondContact O-N 2.85Å; R466-Y484 HydrophobicContact CB-CD2 4.07Å; R466-Y484 HydrophobicContact CB-CE2 4.11Å; R466-K548 CarbonylContact C-O 3.54Å; R466-K548 WeakPolarHBondContact CA-O 3.43Å; R466-Y549 HydrophobicContact CB-CD1 3.97Å; R466-Y549 HydrophobicContact CB-CE1 3.67Å; R466-Y549 WeakPolarHBondContact CD-OH 3.34Å; R466-Y549 HydrophobicContact CG-CD1 4.19Å; R466-Y549 HydrophobicContact CG-CE1 3.56Å; R466-Y549 PolarHBondContact NE-OH 2.85Å
467	K	94.3	Very high	89.1	Confident	68 Å²	68	71.8 Å²	71.8	30%	0.296	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.8	171	179.3	175.4	178	176.1	0	109.3	A479 W481 Y547 K548	K467-A479 HydrophobicContact CD-CB 4.43Å; K467-A479 VanDerWaalsContact CE-CB 3.44Å; K467-A479 VanDerWaalsContact CE-O 3.27Å; K467-A479 WeakPolarHBondContact CE-O 3.34Å; K467-A479 HydrophobicContact CG-CB 4.16Å; K467-W481 HydrophobicContact CB-CD2 3.7Å; K467-W481 HydrophobicContact CB-CE3 3.61Å; K467-W481 HydrophobicContact CB-CG 4.32Å; K467-W481 HydrophobicContact CB-CH2 4.2Å; K467-W481 HydrophobicContact CB-CZ2 4.24Å; K467-W481 HydrophobicContact CB-CZ3 3.87Å; K467-W481 HydrophobicContact CD-CD2 4.22Å; K467-W481 HydrophobicContact CD-CG 4.47Å; K467-W481 HydrophobicContact CD-CZ2 4.24Å; K467-Y547 WeakPolarHBondContact O-CA 3.32Å; K467-K548 PolarHBondContact N-O 3.46Å; K467-K548 PolarHBondContact O-N 2.9Å
468	T	93.3	Very high	89.5	Confident	43 Å²	43	73.4 Å²	73.4	26%	0.264	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	123.7	172.5	-53.9	0	0	0	0	109.2	L470 K471 P476 A479 Y547	T468-L470 WeakPolarHBondContact CG2-O 3.5Å; T468-K471 HydrophobicContact CG2-CB 4.11Å; T468-P476 HydrophobicContact CG2-CG 3.84Å; T468-A479 WeakPolarHBondContact O-CB 3.36Å; T468-Y547 HydrophobicContact CG2-CD1 4.11Å; T468-Y547 HydrophobicContact CG2-CE1 3.78Å
469	V	91.7	Very high	89.5	Confident	54 Å²	54	72.6 Å²	72.6	33%	0.327	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-48.4	178.6	-177.9	0	0	0	0	110	P476 T546 K548	V469-P476 WeakPolarHBondContact O-CD 3.4Å; V469-T546 HydrophobicContact CB-CG2 4.14Å; V469-T546 WeakPolarHBondContact CB-O 3.04Å; V469-T546 PolarHBondContact N-O 3.47Å; V469-K548 HydrophobicContact CG2-CB 3.63Å
470	L	90.4	Very high	89.4	Confident	50 Å²	50	73.6 Å²	73.6	26%	0.262	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.6	173.8	-64.1	174.7	0	0	0	109.1	T468 K474 K475 N545 T546	T468-L470 WeakPolarHBondContact CG2-O 3.5Å; L470-K474 WeakPolarHBondContact CA-O 3.45Å; L470-K475 HydrophobicContact CD2-CG 3.86Å; L470-N545 WeakPolarHBondContact O-CA 3.11Å; L470-T546 PolarHBondContact N-O 3.38Å; L470-T546 VanDerWaalsContact N-O 3.15Å; L470-T546 PolarHBondContact O-N 3.34Å
471	K	88.8	Confident	89.4	Confident	117 Å²	117	77.9 Å²	77.9	51%	0.509	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-129.6	121.9	167.6	-170.2	-173.9	176.5	-160.5	0	107.6	T468 G473 K474 N545	T468-K471 HydrophobicContact CG2-CB 4.11Å; K471-G473 PolarHBondContact O-N 3.5Å; K471-K474 PolarHBondContact N-O 2.88Å; K471-K474 PolarHBondContact O-N 2.87Å; K471-N545 VanDerWaalsContact CA-OD1 3.27Å; K471-N545 WeakPolarHBondContact CA-OD1 3.44Å
472	E	88.1	Confident	89.4	Confident	141 Å²	141	76.8 Å²	76.8	66%	0.659	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	42.1	-177.9	-63.1	157.7	-148	0	0	112	K474 H543 G544 N545	E472-K474 PolarHBondContact O-N 3.37Å; E472-K474 VanDerWaalsContact O-N 3.17Å; E472-H543 WeakPolarHBondContact CA-O 3.24Å; E472-G544 PolarHBondContact N-O 3.17Å; E472-N545 PolarHBondContact N-OD1 3.11Å
473	G	85.5	Confident	89.4	Confident	50 Å²	50	78.5 Å²	78.5	52%	0.515	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	-5.1	180	0	0	0	0	0	115.7	K471 G544	K471-G473 PolarHBondContact O-N 3.5Å; G473-G544 PolarHBondContact N-O 3.21Å
474	K	88.6	Confident	89.5	Confident	163 Å²	163	77.7 Å²	77.7	71%	0.709	41%	0.41	S	S	*	.	B	Isolated β-bridge	trans	-108.7	146	-178.2	-65.6	179.4	-178	175	0	112.2	L470 K471 E472	L470-K474 WeakPolarHBondContact CA-O 3.45Å; K471-K474 PolarHBondContact N-O 2.88Å; K471-K474 PolarHBondContact O-N 2.87Å; E472-K474 PolarHBondContact O-N 3.37Å; E472-K474 VanDerWaalsContact O-N 3.17Å
475	K	89	Confident	89.5	Confident	178 Å²	178	79.4 Å²	79.4	77%	0.774	42%	0.416	S	S	*	.			trans	-71	126	171.5	-72.3	-177.7	-179.2	175.7	0	109.3	L470	L470-K475 HydrophobicContact CD2-CG 3.86Å
476	P	87.2	Confident	89.5	Confident	44 Å²	44	75.5 Å²	75.5	29%	0.286	40%	0.399	S	S	.	.			trans	-62.7	141.3	177.2	-19.9	30.4	0	0	0	112	T468 V469 V478	T468-P476 HydrophobicContact CG2-CG 3.84Å; V469-P476 WeakPolarHBondContact O-CD 3.4Å; P476-V478 PolarHBondContact O-N 3.37Å
477	T	81	Confident	89.6	Confident	150 Å²	150	74.7 Å²	74.7	92%	0.92	40%	0.397	S	S	*	.	S	Bend	trans	-58.1	-31.7	175.1	-43.9	0	0	0	0	112.4
478	V	75	Confident	89.5	Confident	121 Å²	121	71.5 Å²	71.5	73%	0.733	38%	0.383	S	S	*	.			trans	-134.7	124	174.5	-176.5	0	0	0	0	108.9	P476	P476-V478 PolarHBondContact O-N 3.37Å
479	A	80	Confident	89.4	Confident	38 Å²	38	70.4 Å²	70.4	31%	0.314	38%	0.377	S	S	.	.			trans	-125.6	97.8	177.6	0	0	0	0	0	110.3	K467 T468	K467-A479 HydrophobicContact CD-CB 4.43Å; K467-A479 VanDerWaalsContact CE-CB 3.44Å; K467-A479 VanDerWaalsContact CE-O 3.27Å; K467-A479 WeakPolarHBondContact CE-O 3.34Å; K467-A479 HydrophobicContact CG-CB 4.16Å; T468-A479 WeakPolarHBondContact O-CB 3.36Å
480	S	87	Confident	89.2	Confident	79 Å²	79	70 Å²	70	55%	0.552	38%	0.384	S	S	*	.			trans	-99.1	148.9	176.7	61	0	0	0	0	111.8
481	W	92.3	Very high	89.2	Confident	101 Å²	101	69.8 Å²	69.8	38%	0.383	39%	0.385	S	S	.	.			trans	-75.3	126	170.7	-74.8	103.4	0	0	0	109.9	K465 K467 K548 Q550	K465-W481 HydrophobicContact CB-CD2 4.42Å; K465-W481 HydrophobicContact CB-CE3 3.56Å; K465-W481 HydrophobicContact CB-CZ3 4.03Å; K465-W481 WeakPolarHBondContact O-CZ3 3.28Å; K467-W481 HydrophobicContact CB-CD2 3.7Å; K467-W481 HydrophobicContact CB-CE3 3.61Å; K467-W481 HydrophobicContact CB-CG 4.32Å; K467-W481 HydrophobicContact CB-CH2 4.2Å; K467-W481 HydrophobicContact CB-CZ2 4.24Å; K467-W481 HydrophobicContact CB-CZ3 3.87Å; K467-W481 HydrophobicContact CD-CD2 4.22Å; K467-W481 HydrophobicContact CD-CG 4.47Å; K467-W481 HydrophobicContact CD-CZ2 4.24Å; W481-K548 HydrophobicContact CH2-CB 4.31Å; W481-K548 HydrophobicContact CH2-CD 4.1Å; W481-K548 HydrophobicContact CH2-CG 3.9Å; W481-K548 HydrophobicContact CZ2-CD 4.24Å; W481-Q550 HydrophobicContact CH2-CB 3.95Å; W481-Q550 HydrophobicContact CZ3-CB 3.86Å
482	T	92.6	Very high	89.4	Confident	55 Å²	55	67.4 Å²	67.4	34%	0.337	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.7	174.4	-51.9	0	0	0	0	109.9	K465 R466 Y484	K465-T482 CarbonylContact C-O 3.52Å; K465-T482 WeakPolarHBondContact CA-O 3.49Å; R466-T482 PolarHBondContact N-O 3.3Å; R466-T482 PolarHBondContact O-N 2.85Å; T482-Y484 HydrophobicContact CG2-CD2 4.29Å; T482-Y484 HydrophobicContact CG2-CE1 4.3Å; T482-Y484 HydrophobicContact CG2-CE2 3.49Å; T482-Y484 VanDerWaalsContact CG2-CE2 3.49Å; T482-Y484 VanDerWaalsContact CG2-CZ 3.48Å; T482-Y484 WeakPolarHBondContact CG2-OH 3.5Å; T482-Y484 WeakPolarHBondContact O-CD2 3.48Å
483	K	94.6	Very high	89.7	Confident	49 Å²	49	60.8 Å²	60.8	21%	0.213	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.3	-177.9	-163	-173.1	-75.1	176.1	0	111.1	V463 K465 A498 L501 A503 F509	V463-K483 HydrophobicContact CG1-CD 3.92Å; V463-K483 HydrophobicContact CG1-CG 3.82Å; K465-K483 HydrophobicContact CG-CB 4.44Å; K465-K483 HydrophobicContact CG-CG 4.25Å; K483-A498 HydrophobicContact CB-CB 4.29Å; K483-A498 PolarHBondContact O-N 2.75Å; K483-L501 PolarHBondContact NZ-O 2.98Å; K483-A503 HydrophobicContact CD-CB 4.23Å; K483-A503 WeakPolarHBondContact CD-O 3.47Å; K483-A503 PolarHBondContact NZ-O 3.38Å; K483-F509 HydrophobicContact CD-CE1 4.16Å; K483-F509 HydrophobicContact CD-CZ 3.94Å; K483-F509 HydrophobicContact CG-CE1 3.96Å; K483-F509 HydrophobicContact CG-CZ 4.12Å
484	Y	95.4	Very high	90.1	Very high	26 Å²	26	60.1 Å²	60.1	10%	0.102	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.6	178.2	-63	-84.6	0	0	0	110.5	V463 L464 R466 T482 Y495 Y496 P497	V463-Y484 WeakPolarHBondContact CA-O 3.31Å; L464-Y484 PolarHBondContact N-O 3.12Å; L464-Y484 PolarHBondContact O-N 3.03Å; L464-Y484 VanDerWaalsContact O-O 3.08Å; R466-Y484 HydrophobicContact CB-CD2 4.07Å; R466-Y484 HydrophobicContact CB-CE2 4.11Å; T482-Y484 HydrophobicContact CG2-CD2 4.29Å; T482-Y484 HydrophobicContact CG2-CE1 4.3Å; T482-Y484 HydrophobicContact CG2-CE2 3.49Å; T482-Y484 VanDerWaalsContact CG2-CE2 3.49Å; T482-Y484 VanDerWaalsContact CG2-CZ 3.48Å; T482-Y484 WeakPolarHBondContact CG2-OH 3.5Å; T482-Y484 WeakPolarHBondContact O-CD2 3.48Å; Y484-Y495 HydrophobicContact CD1-CD1 4.45Å; Y484-Y495 HydrophobicContact CD2-CD1 4.35Å; Y484-Y495 HydrophobicContact CG-CD1 4.15Å; Y484-Y496 WeakPolarHBondContact CA-O 3.26Å; Y484-P497 HydrophobicContact CD1-CG 4.43Å; Y484-P497 HydrophobicContact CE1-CB 4.37Å; Y484-P497 HydrophobicContact CE1-CG 4.17Å
485	W	95.4	Very high	90.4	Very high	37 Å²	37	52.5 Å²	52.5	14%	0.14	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.9	149.5	-174.6	-81.1	0	0	0	106.6	Q461 G462 V463 Y496 R506 F509	Q461-W485 HydrophobicContact CG-CZ2 4.27Å; G462-W485 WeakPolarHBondContact O-CA 3.46Å; V463-W485 HydrophobicContact CG2-CE3 3.65Å; V463-W485 HydrophobicContact CG2-CZ3 3.87Å; W485-Y496 AromaticContact CD1-CD2 3.99Å; W485-Y496 PolarHBondContact N-O 2.93Å; W485-Y496 WeakPolarHBondContact O-CD2 3.36Å; W485-Y496 PolarHBondContact O-N 3.35Å; W485-R506 HydrophobicContact CD2-CB 4.3Å; W485-R506 VanDerWaalsContact CE2-CD 3.47Å; W485-R506 HydrophobicContact CE3-CB 4.11Å; W485-R506 HydrophobicContact CH2-CB 3.84Å; W485-R506 HydrophobicContact CZ2-CB 4.02Å; W485-R506 HydrophobicContact CZ2-CG 4.44Å; W485-R506 HydrophobicContact CZ3-CB 3.89Å; W485-R506 VanDerWaalsContact CZ3-N 3.33Å; W485-F509 HydrophobicContact CB-CB 3.82Å; W485-F509 HydrophobicContact CB-CD1 3.91Å; W485-F509 HydrophobicContact CB-CD2 3.81Å; W485-F509 HydrophobicContact CB-CE1 4.46Å; W485-F509 HydrophobicContact CB-CE2 4.39Å; W485-F509 HydrophobicContact CB-CG 3.56Å; W485-F509 HydrophobicContact CE3-CD2 4Å; W485-F509 HydrophobicContact CE3-CE2 4.08Å; W485-F509 VanDerWaalsContact N-CE1 3.34Å
486	V	95.7	Very high	90.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139	-176.6	-174.8	0	0	0	0	108.5	Q461 G462 L464 L493 Y494 Y495 W560	Q461-V486 CarbonylContact C-O 3.56Å; Q461-V486 WeakPolarHBondContact CA-O 3.49Å; Q461-V486 WeakPolarHBondContact CB-O 3.42Å; G462-V486 PolarHBondContact N-O 3.09Å; G462-V486 PolarHBondContact O-N 2.82Å; L464-V486 HydrophobicContact CB-CG2 3.93Å; L464-V486 HydrophobicContact CD1-CB 3.92Å; L464-V486 HydrophobicContact CD1-CG1 4.21Å; L464-V486 HydrophobicContact CD1-CG2 3.95Å; L464-V486 HydrophobicContact CG-CB 4.33Å; L464-V486 HydrophobicContact CG-CG2 4.2Å; V486-L493 HydrophobicContact CG1-CD1 3.41Å; V486-L493 VanDerWaalsContact CG1-CD1 3.41Å; V486-L493 HydrophobicContact CG1-CD2 4.32Å; V486-L493 HydrophobicContact CG1-CG 3.75Å; V486-Y494 VanDerWaalsContact CA-O 3.26Å; V486-Y494 WeakPolarHBondContact CA-O 3.08Å; V486-Y495 HydrophobicContact CG1-CE1 4.42Å; V486-Y495 HydrophobicContact CG2-CD1 3.84Å; V486-Y495 HydrophobicContact CG2-CE1 4.17Å; V486-W560 HydrophobicContact CB-CH2 3.82Å; V486-W560 HydrophobicContact CB-CZ2 4.17Å; V486-W560 HydrophobicContact CG1-CH2 3.64Å; V486-W560 HydrophobicContact CG1-CZ2 4.45Å; V486-W560 HydrophobicContact CG1-CZ3 4.02Å; V486-W560 WeakPolarHBondContact O-CH2 3.36Å
487	A	94.9	Very high	91.1	Very high	5 Å²	5	44.5 Å²	44.5	4%	0.041	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.6	174.7	0	0	0	0	0	109.8	V458 Q461 Y494 Y496	V458-A487 HydrophobicContact CG1-CB 4.43Å; Q461-A487 HydrophobicContact CB-CB 3.95Å; A487-Y494 PolarHBondContact N-O 3.34Å; A487-Y494 VanDerWaalsContact N-O 3.09Å; A487-Y494 PolarHBondContact O-N 2.87Å; A487-Y496 HydrophobicContact CB-CE2 4.31Å
488	L	93.2	Very high	91.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.1	171.6	178.8	66.9	0	0	0	108.6	T459 V460 Q492 L493 V519 W560 H563 L564 A567	T459-L488 HydrophobicContact CG2-CD2 4.48Å; T459-L488 PolarHBondContact N-O 2.93Å; V460-L488 HydrophobicContact CG1-CB 3.8Å; V460-L488 HydrophobicContact CG1-CD2 3.99Å; V460-L488 PolarHBondContact O-N 2.83Å; L488-Q492 WeakPolarHBondContact CA-O 3Å; L488-L493 HydrophobicContact CB-CD1 3.92Å; L488-L493 HydrophobicContact CD1-CD1 4.12Å; L488-V519 HydrophobicContact CD1-CG2 4.16Å; L488-W560 HydrophobicContact CB-CZ3 4.14Å; L488-H563 HydrophobicContact CD2-CB 4.01Å; L488-L564 HydrophobicContact CD1-CD2 4.18Å; L488-L564 HydrophobicContact CD2-CD2 4.11Å; L488-L564 HydrophobicContact CD2-CG 4.39Å; L488-A567 HydrophobicContact CD1-CB 4.22Å; L488-A567 HydrophobicContact CD2-CB 4.11Å
489	C	90.5	Very high	92.3	Very high	21 Å²	21	39.6 Å²	39.6	14%	0.142	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	108.8	177.1	-46.8	0	0	0	0	108.1	T491 Q492 Y494	C489-T491 PolarHBondContact O-N 2.9Å; C489-T491 VanDerWaalsContact O-N 3.16Å; C489-Q492 PolarHBondContact N-O 2.83Å; C489-Q492 PolarHBondContact O-N 3.02Å; C489-Y494 HydrophobicContact CB-CE2 4.04Å
490	G	88.2	Confident	92.4	Very high	45 Å²	45	41.2 Å²	41.2	46%	0.464	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	-117	-169.7	0	0	0	0	0	110.9
491	T	90.1	Very high	91.7	Very high	46 Å²	46	45.3 Å²	45.3	28%	0.282	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	9.7	178.5	59.4	0	0	0	0	114	C489 V519 V520	C489-T491 PolarHBondContact O-N 2.9Å; C489-T491 VanDerWaalsContact O-N 3.16Å; T491-V519 WeakPolarHBondContact O-CG2 3.48Å; T491-V519 PolarHBondContact O-N 3.37Å; T491-V520 HydrophobicContact CG2-CG2 3.67Å
492	Q	93.1	Very high	91.2	Very high	67 Å²	67	49.2 Å²	49.2	31%	0.313	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.1	-176.4	-63.7	-70.4	24.6	0	0	112.3	L488 C489 Y494 V517 C518	L488-Q492 WeakPolarHBondContact CA-O 3Å; C489-Q492 PolarHBondContact N-O 2.83Å; C489-Q492 PolarHBondContact O-N 3.02Å; Q492-Y494 HydrophobicContact CB-CE2 3.69Å; Q492-V517 VanDerWaalsContact OE1-C 3.29Å; Q492-V517 PolarHBondContact OE1-O 2.84Å; Q492-C518 VanDerWaalsContact OE1-N 3.08Å
493	L	94.1	Very high	90.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.9	180	-165.3	67	0	0	0	111	V486 L488 Y495 S516 V517 V519 L538 W560 L564	V486-L493 HydrophobicContact CG1-CD1 3.41Å; V486-L493 VanDerWaalsContact CG1-CD1 3.41Å; V486-L493 HydrophobicContact CG1-CD2 4.32Å; V486-L493 HydrophobicContact CG1-CG 3.75Å; L488-L493 HydrophobicContact CB-CD1 3.92Å; L488-L493 HydrophobicContact CD1-CD1 4.12Å; L493-Y495 HydrophobicContact CB-CE2 4.48Å; L493-Y495 HydrophobicContact CD2-CE1 4.45Å; L493-Y495 HydrophobicContact CD2-CE2 4.21Å; L493-Y495 WeakPolarHBondContact CD2-OH 3.32Å; L493-Y495 HydrophobicContact CG-CE2 4.17Å; L493-S516 CarbonylContact O-C 3.58Å; L493-S516 VanDerWaalsContact O-CA 3.3Å; L493-S516 WeakPolarHBondContact O-CA 3.29Å; L493-V517 PolarHBondContact N-O 2.88Å; L493-V517 PolarHBondContact O-N 3.41Å; L493-V519 HydrophobicContact CB-CG1 3.78Å; L493-V519 HydrophobicContact CD2-CG1 4.19Å; L493-L538 HydrophobicContact CD2-CD2 4.29Å; L493-W560 HydrophobicContact CD1-CH2 4.41Å; L493-W560 HydrophobicContact CD1-CZ3 3.8Å; L493-L564 HydrophobicContact CD1-CD2 4.19Å; L493-L564 HydrophobicContact CD2-CD2 4.28Å
494	Y	94.3	Very high	90.2	Very high	36 Å²	36	48.7 Å²	48.7	14%	0.141	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.8	-175.3	-61.9	-85.7	0	0	0	112	V486 A487 C489 Q492	V486-Y494 VanDerWaalsContact CA-O 3.26Å; V486-Y494 WeakPolarHBondContact CA-O 3.08Å; A487-Y494 PolarHBondContact N-O 3.34Å; A487-Y494 VanDerWaalsContact N-O 3.09Å; A487-Y494 PolarHBondContact O-N 2.87Å; C489-Y494 HydrophobicContact CB-CE2 4.04Å; Q492-Y494 HydrophobicContact CB-CE2 3.69Å
495	Y	95.3	Very high	89.8	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.8	-176.9	-60.6	-94.6	0	0	0	112.7	Y484 V486 L493 S513 S514 K515 V517 Y549	Y484-Y495 HydrophobicContact CD1-CD1 4.45Å; Y484-Y495 HydrophobicContact CD2-CD1 4.35Å; Y484-Y495 HydrophobicContact CG-CD1 4.15Å; V486-Y495 HydrophobicContact CG1-CE1 4.42Å; V486-Y495 HydrophobicContact CG2-CD1 3.84Å; V486-Y495 HydrophobicContact CG2-CE1 4.17Å; L493-Y495 HydrophobicContact CB-CE2 4.48Å; L493-Y495 HydrophobicContact CD2-CE1 4.45Å; L493-Y495 HydrophobicContact CD2-CE2 4.21Å; L493-Y495 WeakPolarHBondContact CD2-OH 3.32Å; L493-Y495 HydrophobicContact CG-CE2 4.17Å; Y495-S513 CarbonylContact O-C 3.52Å; Y495-S513 WeakPolarHBondContact O-CA 3.49Å; Y495-S514 PolarHBondContact O-N 3.04Å; Y495-S514 PolarHBondContact O-OG 2.93Å; Y495-K515 HydrophobicContact CD2-CB 4Å; Y495-K515 PolarHBondContact N-O 2.89Å; Y495-V517 HydrophobicContact CE2-CB 4.37Å; Y495-V517 HydrophobicContact CE2-CG2 3.95Å; Y495-Y549 AromaticContact CE1-CE1 3.99Å; Y495-Y549 HydrophobicContact CE1-CE1 3.99Å; Y495-Y549 PolarHBondContact OH-OH 3.19Å
496	Y	95.1	Very high	89.4	Confident	30 Å²	30	54.2 Å²	54.2	12%	0.118	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	111.9	179	-56.3	-94.1	0	0	0	109.9	Y484 W485 A487 F509 K510 S511 T512 S513	Y484-Y496 WeakPolarHBondContact CA-O 3.26Å; W485-Y496 AromaticContact CD1-CD2 3.99Å; W485-Y496 PolarHBondContact N-O 2.93Å; W485-Y496 WeakPolarHBondContact O-CD2 3.36Å; W485-Y496 PolarHBondContact O-N 3.35Å; A487-Y496 HydrophobicContact CB-CE2 4.31Å; Y496-F509 WeakPolarHBondContact O-CD1 3.44Å; Y496-K510 WeakPolarHBondContact CD1-O 3.18Å; Y496-S511 WeakPolarHBondContact CD1-O 3.26Å; Y496-S511 WeakPolarHBondContact CE1-O 3.4Å; Y496-T512 WeakPolarHBondContact CD1-O 3.33Å; Y496-S513 VanDerWaalsContact CE1-N 3.28Å
497	P	94.5	Very high	89	Confident	25 Å²	25	60.6 Å²	60.6	16%	0.162	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	146.2	-175.5	-23.6	32.9	0	0	0	113.4	Y484 F509 K510 S514	Y484-P497 HydrophobicContact CD1-CG 4.43Å; Y484-P497 HydrophobicContact CE1-CB 4.37Å; Y484-P497 HydrophobicContact CE1-CG 4.17Å; P497-F509 WeakPolarHBondContact O-CA 3.17Å; P497-K510 HydrophobicContact CB-CD 4.13Å; P497-K510 HydrophobicContact CB-CG 4.47Å; P497-K510 HydrophobicContact CG-CD 4.13Å; P497-K510 PolarHBondContact O-N 3.37Å; P497-S514 WeakPolarHBondContact CD-OG 3.16Å; P497-S514 VanDerWaalsContact CG-CB 3.46Å; P497-S514 VanDerWaalsContact CG-OG 3.3Å; P497-S514 WeakPolarHBondContact CG-OG 3.4Å
498	A	92.9	Very high	88.8	Confident	31 Å²	31	63.2 Å²	63.2	26%	0.256	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-64.5	139.5	171.3	0	0	0	0	0	111.4	K483 A503 F509	K483-A498 HydrophobicContact CB-CB 4.29Å; K483-A498 PolarHBondContact O-N 2.75Å; A498-A503 HydrophobicContact CB-CB 3.86Å; A498-F509 VanDerWaalsContact CA-CD1 3.45Å; A498-F509 HydrophobicContact CB-CD1 3.84Å; A498-F509 HydrophobicContact CB-CE1 3.69Å
499	K	89.5	Confident	88.7	Confident	136 Å²	136	63.2 Å²	63.2	59%	0.591	33%	0.326	S	S	*	.	S	Bend	trans	-82.2	-17.7	171.4	-61.9	170.5	-178.9	158.6	0	112.3	K507 H508 F509 K510	K499-K507 PolarHBondContact NZ-O 3.24Å; K499-K507 VanDerWaalsContact NZ-O 3.11Å; K499-H508 WeakPolarHBondContact CB-O 3.34Å; K499-H508 PolarHBondContact N-O 3.09Å; K499-F509 WeakPolarHBondContact CE-O 3.41Å; K499-F509 PolarHBondContact NZ-O 3.48Å; K499-K510 HydrophobicContact CG-CG 4.26Å
500	S	81	Confident	88.6	Confident	72 Å²	72	67.2 Å²	67.2	50%	0.503	34%	0.341	S	S	.	.	S	Bend	trans	-152.7	156.1	-177.2	173.8	0	0	0	0	111.1	K502 A503	S500-K502 VanDerWaalsContact C-N 3.26Å; S500-K502 PolarHBondContact O-N 2.81Å; S500-A503 WeakPolarHBondContact O-CB 3.19Å; S500-A503 PolarHBondContact O-N 2.87Å
501	L	73.4	Confident	88.3	Confident	165 Å²	165	67.6 Å²	67.6	86%	0.864	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-32	178.9	-64.8	172.3	0	0	0	112.7	K483 A503	K483-L501 PolarHBondContact NZ-O 2.98Å; L501-A503 VanDerWaalsContact C-N 3.28Å; L501-A503 PolarHBondContact O-N 3.08Å
502	K	81.1	Confident	87.8	Confident	184 Å²	184	68.4 Å²	68.4	80%	0.8	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	18.8	179.6	-65.9	-172.3	178.1	-177.5	0	114.2	S500 T504	S500-K502 VanDerWaalsContact C-N 3.26Å; S500-K502 PolarHBondContact O-N 2.81Å; K502-T504 PolarHBondContact O-N 3.44Å
503	A	85.8	Confident	87.5	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.008	34%	0.342	C	S	.	.			trans	-65.7	126.1	-180	0	0	0	0	0	112.6	K483 A498 S500 L501 H508 F509	K483-A503 HydrophobicContact CD-CB 4.23Å; K483-A503 WeakPolarHBondContact CD-O 3.47Å; K483-A503 PolarHBondContact NZ-O 3.38Å; A498-A503 HydrophobicContact CB-CB 3.86Å; S500-A503 WeakPolarHBondContact O-CB 3.19Å; S500-A503 PolarHBondContact O-N 2.87Å; L501-A503 VanDerWaalsContact C-N 3.28Å; L501-A503 PolarHBondContact O-N 3.08Å; A503-H508 HydrophobicContact CB-CB 3.5Å; A503-H508 VanDerWaalsContact CB-CB 3.5Å; A503-F509 HydrophobicContact CB-CD2 4.39Å; A503-F509 HydrophobicContact CB-CE1 3.93Å; A503-F509 HydrophobicContact CB-CE2 3.79Å; A503-F509 HydrophobicContact CB-CZ 3.52Å
504	T	81.9	Confident	87.1	Confident	92 Å²	92	70.2 Å²	70.2	56%	0.564	36%	0.362	S	S	*	.			trans	-131.2	-22	179.8	49.3	0	0	0	0	114.3	V463 K502 H508	V463-T504 WeakPolarHBondContact CG2-O 3.18Å; K502-T504 PolarHBondContact O-N 3.44Å; T504-H508 PolarHBondContact N-ND1 3.12Å; T504-H508 PolarHBondContact OG1-ND1 3.34Å
505	E	85.8	Confident	86.7	Confident	93 Å²	93	73.7 Å²	73.7	44%	0.435	38%	0.378	S	S	.	.	S	Bend	trans	-125.5	157.7	-172.8	-68.6	171.2	-149.5	0	0	110	K507 H508 F509	E505-K507 HydrophobicContact CB-CG 4.38Å; E505-K507 PolarHBondContact O-N 3.46Å; E505-K507 WeakPolarHBondContact OE2-CE 3.43Å; E505-K507 IonicContact OE2-NZ 3.11Å; E505-K507 PolarHBondContact OE2-NZ 3.03Å; E505-H508 PolarHBondContact N-ND1 2.93Å; E505-H508 VanDerWaalsContact O-CB 3.29Å; E505-H508 WeakPolarHBondContact O-CB 3.34Å; E505-H508 PolarHBondContact O-N 3.43Å; E505-F509 WeakPolarHBondContact O-CD2 3.4Å; E505-F509 WeakPolarHBondContact O-CE2 3.35Å
506	R	87.6	Confident	86.4	Confident	86 Å²	86	77.2 Å²	77.2	33%	0.325	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-49.2	-40.4	-175.8	177.9	62	-173.3	97.6	-9.5	113.9	W485 H508 F509 K510 S511	W485-R506 HydrophobicContact CD2-CB 4.3Å; W485-R506 VanDerWaalsContact CE2-CD 3.47Å; W485-R506 HydrophobicContact CE3-CB 4.11Å; W485-R506 HydrophobicContact CH2-CB 3.84Å; W485-R506 HydrophobicContact CZ2-CB 4.02Å; W485-R506 HydrophobicContact CZ2-CG 4.44Å; W485-R506 HydrophobicContact CZ3-CB 3.89Å; W485-R506 VanDerWaalsContact CZ3-N 3.33Å; R506-H508 PolarHBondContact O-N 3.39Å; R506-F509 PolarHBondContact O-N 3.48Å; R506-F509 VanDerWaalsContact O-N 3.16Å; R506-K510 PolarHBondContact NH1-O 3.05Å; R506-S511 PolarHBondContact NH2-O 3.46Å
507	K	86.1	Confident	86.2	Confident	134 Å²	134	78.2 Å²	78.2	58%	0.583	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-62.4	-26.8	-179.8	72.8	-164	-171.7	-151.2	0	113.8	K499 E505 F509	K499-K507 PolarHBondContact NZ-O 3.24Å; K499-K507 VanDerWaalsContact NZ-O 3.11Å; E505-K507 HydrophobicContact CB-CG 4.38Å; E505-K507 PolarHBondContact O-N 3.46Å; E505-K507 WeakPolarHBondContact OE2-CE 3.43Å; E505-K507 IonicContact OE2-NZ 3.11Å; E505-K507 PolarHBondContact OE2-NZ 3.03Å; K507-F509 PolarHBondContact O-N 3.35Å
508	H	90.9	Very high	86	Confident	59 Å²	59	80 Å²	80	27%	0.273	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-76.9	-6.9	179.2	-56.5	151	0	0	0	113.4	K499 A503 T504 E505 R506	K499-H508 WeakPolarHBondContact CB-O 3.34Å; K499-H508 PolarHBondContact N-O 3.09Å; A503-H508 HydrophobicContact CB-CB 3.5Å; A503-H508 VanDerWaalsContact CB-CB 3.5Å; T504-H508 PolarHBondContact N-ND1 3.12Å; T504-H508 PolarHBondContact OG1-ND1 3.34Å; E505-H508 PolarHBondContact N-ND1 2.93Å; E505-H508 VanDerWaalsContact O-CB 3.29Å; E505-H508 WeakPolarHBondContact O-CB 3.34Å; E505-H508 PolarHBondContact O-N 3.43Å; R506-H508 PolarHBondContact O-N 3.39Å
509	F	91.4	Very high	86	Confident	1 Å²	1	78.5 Å²	78.5	0%	0.004	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-108.9	160.2	177.8	-59.6	-93.2	0	0	0	110.9	V463 K483 W485 Y496 P497 A498 K499 A503 E505 R506 K507	V463-F509 HydrophobicContact CB-CZ 4.31Å; V463-F509 HydrophobicContact CG1-CE2 4.49Å; V463-F509 HydrophobicContact CG1-CZ 3.74Å; V463-F509 HydrophobicContact CG2-CE2 3.58Å; V463-F509 HydrophobicContact CG2-CZ 3.68Å; K483-F509 HydrophobicContact CD-CE1 4.16Å; K483-F509 HydrophobicContact CD-CZ 3.94Å; K483-F509 HydrophobicContact CG-CE1 3.96Å; K483-F509 HydrophobicContact CG-CZ 4.12Å; W485-F509 HydrophobicContact CB-CB 3.82Å; W485-F509 HydrophobicContact CB-CD1 3.91Å; W485-F509 HydrophobicContact CB-CD2 3.81Å; W485-F509 HydrophobicContact CB-CE1 4.46Å; W485-F509 HydrophobicContact CB-CE2 4.39Å; W485-F509 HydrophobicContact CB-CG 3.56Å; W485-F509 HydrophobicContact CE3-CD2 4Å; W485-F509 HydrophobicContact CE3-CE2 4.08Å; W485-F509 VanDerWaalsContact N-CE1 3.34Å; Y496-F509 WeakPolarHBondContact O-CD1 3.44Å; P497-F509 WeakPolarHBondContact O-CA 3.17Å; A498-F509 VanDerWaalsContact CA-CD1 3.45Å; A498-F509 HydrophobicContact CB-CD1 3.84Å; A498-F509 HydrophobicContact CB-CE1 3.69Å; K499-F509 WeakPolarHBondContact CE-O 3.41Å; K499-F509 PolarHBondContact NZ-O 3.48Å; A503-F509 HydrophobicContact CB-CD2 4.39Å; A503-F509 HydrophobicContact CB-CE1 3.93Å; A503-F509 HydrophobicContact CB-CE2 3.79Å; A503-F509 HydrophobicContact CB-CZ 3.52Å; E505-F509 WeakPolarHBondContact O-CD2 3.4Å; E505-F509 WeakPolarHBondContact O-CE2 3.35Å; R506-F509 PolarHBondContact O-N 3.48Å; R506-F509 VanDerWaalsContact O-N 3.16Å; K507-F509 PolarHBondContact O-N 3.35Å
510	K	87.9	Confident	86	Confident	104 Å²	104	74.4 Å²	74.4	45%	0.452	40%	0.398	S	S	.	.			trans	-59.8	148.6	176.2	-68	-173.4	-179.7	-177.5	0	110.8	Y496 P497 K499 R506	Y496-K510 WeakPolarHBondContact CD1-O 3.18Å; P497-K510 HydrophobicContact CB-CD 4.13Å; P497-K510 HydrophobicContact CB-CG 4.47Å; P497-K510 HydrophobicContact CG-CD 4.13Å; P497-K510 PolarHBondContact O-N 3.37Å; K499-K510 HydrophobicContact CG-CG 4.26Å; R506-K510 PolarHBondContact NH1-O 3.05Å
511	S	81.8	Confident	86.2	Confident	54 Å²	54	73.7 Å²	73.7	38%	0.378	40%	0.402	S	S	.	.	S	Bend	trans	-71.9	-35.5	176.9	49.8	0	0	0	0	111.5	T354 Y496 R506	T354-S511 WeakPolarHBondContact CG2-OG 3.43Å; T354-S511 PolarHBondContact OG1-OG 2.91Å; Y496-S511 WeakPolarHBondContact CD1-O 3.26Å; Y496-S511 WeakPolarHBondContact CE1-O 3.4Å; R506-S511 PolarHBondContact NH2-O 3.46Å
512	T	80.4	Confident	87.1	Confident	62 Å²	62	67 Å²	67	38%	0.38	37%	0.367	S	S	.	.	S	Bend	trans	-93	142.7	178.6	54.8	0	0	0	0	112.5	N353 Y496	N353-T512 HydrophobicContact CB-CG2 4.3Å; Y496-T512 WeakPolarHBondContact CD1-O 3.33Å
513	S	86.2	Confident	87.6	Confident	47 Å²	47	63.4 Å²	63.4	33%	0.329	35%	0.354	S	S	.	.			trans	-71.1	137	172.8	63.9	0	0	0	0	109	Y495 Y496	Y495-S513 CarbonylContact O-C 3.52Å; Y495-S513 WeakPolarHBondContact O-CA 3.49Å; Y496-S513 VanDerWaalsContact CE1-N 3.28Å
514	S	85.5	Confident	88	Confident	60 Å²	60	63.9 Å²	63.9	42%	0.42	36%	0.358	S	S	.	.	S	Bend	trans	-85.5	-24.1	174.7	59.5	0	0	0	0	112.7	Y495 P497	Y495-S514 PolarHBondContact O-N 3.04Å; Y495-S514 PolarHBondContact O-OG 2.93Å; P497-S514 WeakPolarHBondContact CD-OG 3.16Å; P497-S514 VanDerWaalsContact CG-CB 3.46Å; P497-S514 VanDerWaalsContact CG-OG 3.3Å; P497-S514 WeakPolarHBondContact CG-OG 3.4Å
515	K	86.7	Confident	88.5	Confident	110 Å²	110	62.8 Å²	62.8	48%	0.478	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	144.2	-175.7	-57.7	-176.8	-177.7	-177.7	0	108.4	Y495	Y495-K515 HydrophobicContact CD2-CB 4Å; Y495-K515 PolarHBondContact N-O 2.89Å
516	S	88.9	Confident	88.7	Confident	75 Å²	75	61.1 Å²	61.1	52%	0.524	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.2	166.9	52.5	0	0	0	0	108.3	L493	L493-S516 CarbonylContact O-C 3.58Å; L493-S516 VanDerWaalsContact O-CA 3.3Å; L493-S516 WeakPolarHBondContact O-CA 3.29Å
517	V	90.3	Very high	88.7	Confident	52 Å²	52	58.1 Å²	58.1	32%	0.315	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.2	-178.2	179.7	0	0	0	0	109	Q492 L493 Y495	Q492-V517 VanDerWaalsContact OE1-C 3.29Å; Q492-V517 PolarHBondContact OE1-O 2.84Å; L493-V517 PolarHBondContact N-O 2.88Å; L493-V517 PolarHBondContact O-N 3.41Å; Y495-V517 HydrophobicContact CE2-CB 4.37Å; Y495-V517 HydrophobicContact CE2-CG2 3.95Å
518	C	91.3	Very high	88.2	Confident	61 Å²	61	59.8 Å²	59.8	41%	0.412	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	128.1	170.3	-171.1	0	0	0	0	109	Q492	Q492-C518 VanDerWaalsContact OE1-N 3.08Å
519	V	92.3	Very high	87.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.347	C	S	.	.			trans	-95.7	-0.4	-177.9	-56.5	0	0	0	0	113.5	L488 T491 L493 G521 L522 L538 L564 A567 C568	L488-V519 HydrophobicContact CD1-CG2 4.16Å; T491-V519 WeakPolarHBondContact O-CG2 3.48Å; T491-V519 PolarHBondContact O-N 3.37Å; L493-V519 HydrophobicContact CB-CG1 3.78Å; L493-V519 HydrophobicContact CD2-CG1 4.19Å; V519-G521 PolarHBondContact O-N 3.06Å; V519-L522 HydrophobicContact CB-CD1 4.15Å; V519-L522 HydrophobicContact CG1-CD1 4.23Å; V519-L522 WeakPolarHBondContact O-CB 3.14Å; V519-L522 PolarHBondContact O-N 3.07Å; V519-L522 VanDerWaalsContact O-N 3.12Å; V519-L538 HydrophobicContact CG1-CD2 4.31Å; V519-L564 HydrophobicContact CG1-CD2 4.21Å; V519-A567 HydrophobicContact CG2-CB 3.63Å; V519-C568 WeakPolarHBondContact O-CA 3.45Å; V519-C568 PolarHBondContact O-SG 3.08Å
520	V	90.4	Very high	87	Confident	50 Å²	50	64.7 Å²	64.7	30%	0.303	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	130.6	176.6	-179.2	0	0	0	0	109.7	T491 L522 N571	T491-V520 HydrophobicContact CG2-CG2 3.67Å; V520-L522 PolarHBondContact O-N 2.79Å; V520-N571 HydrophobicContact CG1-CB 3.66Å
521	G	85.2	Confident	86.6	Confident	57 Å²	57	67.7 Å²	67.7	59%	0.588	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-5.9	-179.7	0	0	0	0	0	114.8	V519 C568	V519-G521 PolarHBondContact O-N 3.06Å; G521-C568 PolarHBondContact N-O 3.18Å
522	L	92.4	Very high	86.7	Confident	24 Å²	24	69.2 Å²	69.2	13%	0.126	40%	0.4	C	S	.	.			trans	-76.7	162.2	171.7	-55.4	-171	0	0	0	111.1	V519 V520 L538 T539 D540 C568	V519-L522 HydrophobicContact CB-CD1 4.15Å; V519-L522 HydrophobicContact CG1-CD1 4.23Å; V519-L522 WeakPolarHBondContact O-CB 3.14Å; V519-L522 PolarHBondContact O-N 3.07Å; V519-L522 VanDerWaalsContact O-N 3.12Å; V520-L522 PolarHBondContact O-N 2.79Å; L522-L538 HydrophobicContact CB-CD1 3.91Å; L522-L538 HydrophobicContact CB-CG 4.32Å; L522-L538 HydrophobicContact CD1-CD1 4.27Å; L522-L538 HydrophobicContact CD1-CD2 3.84Å; L522-L538 HydrophobicContact CD1-CG 3.95Å; L522-T539 WeakPolarHBondContact CA-O 3.48Å; L522-D540 HydrophobicContact CD2-CB 3.46Å; L522-D540 VanDerWaalsContact CD2-CB 3.46Å; L522-C568 WeakPolarHBondContact O-CB 3.43Å; L522-C568 PolarHBondContact O-SG 3.45Å; L522-C568 VanDerWaalsContact O-SG 3.37Å
523	M	91.7	Very high	87	Confident	110 Å²	110	68.9 Å²	68.9	54%	0.542	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.6	175.3	-169	179.4	-175.5	0	0	110.2	M525 L538 T539	M523-M525 HydrophobicContact CE-CG 3.9Å; M523-M525 HydrophobicContact CE-SD 3.69Å; M523-M525 HydrophobicContact CG-CG 4.05Å; M523-M525 HydrophobicContact SD-CG 4.24Å; M523-M525 HydrophobicContact SD-SD 3.98Å; M523-L538 WeakPolarHBondContact O-CA 3.14Å; M523-T539 PolarHBondContact N-O 3.39Å; M523-T539 PolarHBondContact O-N 3.09Å
524	A	93	Very high	87.2	Confident	11 Å²	11	67.3 Å²	67.3	9%	0.091	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	138	167.6	0	0	0	0	0	109.7	L537 L538 F561 L564	A524-L537 CarbonylContact C-O 3.55Å; A524-L537 WeakPolarHBondContact CA-O 3.24Å; A524-L538 HydrophobicContact CB-CD1 4.17Å; A524-F561 HydrophobicContact CB-CD2 4.1Å; A524-F561 HydrophobicContact CB-CE2 4.33Å; A524-F561 WeakPolarHBondContact O-CE2 2.91Å; A524-L564 HydrophobicContact CB-CB 4.06Å
525	M	92.1	Very high	87.6	Confident	69 Å²	69	64.6 Å²	64.6	34%	0.34	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	139.4	176	-64.1	-171.6	-64.6	0	0	110.4	M523 F536 L537	M523-M525 HydrophobicContact CE-CG 3.9Å; M523-M525 HydrophobicContact CE-SD 3.69Å; M523-M525 HydrophobicContact CG-CG 4.05Å; M523-M525 HydrophobicContact SD-CG 4.24Å; M523-M525 HydrophobicContact SD-SD 3.98Å; M525-F536 CarbonylContact O-C 3.53Å; M525-F536 WeakPolarHBondContact O-CA 3.43Å; M525-F536 WeakPolarHBondContact O-CB 3.4Å; M525-L537 HydrophobicContact CB-CB 4.47Å; M525-L537 HydrophobicContact CE-CD1 4.33Å; M525-L537 PolarHBondContact N-O 3.29Å; M525-L537 PolarHBondContact O-N 3.26Å
526	M	91.6	Very high	88	Confident	57 Å²	57	59.4 Å²	59.4	28%	0.281	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	141.2	165.8	-72.2	-59.8	-58.8	0	0	109.5	F536 A557 L558 F561	M526-F536 HydrophobicContact SD-CB 4.03Å; M526-A557 HydrophobicContact CE-CB 3.97Å; M526-L558 HydrophobicContact CE-CD2 4.18Å; M526-L558 HydrophobicContact CG-CD2 4.39Å; M526-L558 HydrophobicContact SD-CD2 4.22Å; M526-F561 HydrophobicContact CG-CB 4.19Å; M526-F561 HydrophobicContact CG-CD1 3.87Å; M526-F561 HydrophobicContact CG-CD2 3.98Å; M526-F561 HydrophobicContact CG-CE1 4.25Å; M526-F561 HydrophobicContact CG-CE2 4.36Å; M526-F561 HydrophobicContact CG-CG 3.73Å; M526-F561 HydrophobicContact CG-CZ 4.48Å; M526-F561 HydrophobicContact SD-CB 3.54Å; M526-F561 VanDerWaalsContact SD-CB 3.54Å; M526-F561 HydrophobicContact SD-CD1 4.29Å; M526-F561 HydrophobicContact SD-CD2 4.29Å; M526-F561 HydrophobicContact SD-CG 3.79Å
527	A	85.8	Confident	88.3	Confident	23 Å²	23	57.6 Å²	57.6	19%	0.19	33%	0.33	C	S	.	.			trans	-76.1	132.9	172.5	0	0	0	0	0	109.7	D529 V535	A527-D529 PolarHBondContact O-N 3.22Å; A527-D529 VanDerWaalsContact O-N 3.09Å; A527-V535 HydrophobicContact CB-CB 4.03Å; A527-V535 HydrophobicContact CB-CG1 3.57Å; A527-V535 PolarHBondContact N-O 3.3Å
528	D	77.1	Confident	88.5	Confident	169 Å²	169	55.3 Å²	55.3	90%	0.904	32%	0.316	S	S	*	.			trans	-86.5	65.1	174.7	-161	14.5	0	0	0	109.5
529	D	80.2	Confident	88.6	Confident	45 Å²	45	53.7 Å²	53.7	24%	0.241	30%	0.304	C	S	.	.			trans	-128.6	101.3	-177.4	-173.5	-15.6	0	0	0	109	A527 E531 H532	A527-D529 PolarHBondContact O-N 3.22Å; A527-D529 VanDerWaalsContact O-N 3.09Å; D529-E531 PolarHBondContact O-N 3.11Å; D529-E531 PolarHBondContact OD1-N 2.85Å; D529-E531 VanDerWaalsContact OD1-N 3.14Å; D529-H532 HydrophobicContact CB-CB 4.41Å; D529-H532 CarbonylContact O-C 3.51Å; D529-H532 VanDerWaalsContact O-C 3.27Å; D529-H532 PolarHBondContact O-N 3.16Å; D529-H532 VanDerWaalsContact O-N 3.12Å; D529-H532 PolarHBondContact OD1-N 3.16Å; D529-H532 IonicContact OD2-CD2 2.67Å; D529-H532 PolarHBondContact OD2-CD2 3.06Å; D529-H532 IonicContact OD2-CG 3.44Å
530	P	75.6	Confident	88.6	Confident	119 Å²	119	55.1 Å²	55.1	77%	0.773	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-27	-178.2	-23.2	32.9	0	0	0	113.8
531	E	79.5	Confident	88.3	Confident	166 Å²	166	57.1 Å²	57.1	78%	0.776	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-20.4	179.6	-60.5	-163.4	130	0	0	112.4	D529 P533	D529-E531 PolarHBondContact O-N 3.11Å; D529-E531 PolarHBondContact OD1-N 2.85Å; D529-E531 VanDerWaalsContact OD1-N 3.14Å; E531-P533 VanDerWaalsContact C-CD 3.49Å
532	H	83.9	Confident	88.2	Confident	86 Å²	86	62.5 Å²	62.5	40%	0.398	34%	0.338	S	S	.	.			trans	-130.7	65.6	-179.9	-63.7	-42.1	0	0	0	112.4	D529 D534 V535	D529-H532 HydrophobicContact CB-CB 4.41Å; D529-H532 CarbonylContact O-C 3.51Å; D529-H532 VanDerWaalsContact O-C 3.27Å; D529-H532 PolarHBondContact O-N 3.16Å; D529-H532 VanDerWaalsContact O-N 3.12Å; D529-H532 PolarHBondContact OD1-N 3.16Å; D529-H532 IonicContact OD2-CD2 2.67Å; D529-H532 PolarHBondContact OD2-CD2 3.06Å; D529-H532 IonicContact OD2-CG 3.44Å; H532-D534 PolarHBondContact O-N 3.28Å; H532-V535 HydrophobicContact CB-CG2 3.89Å; H532-V535 WeakPolarHBondContact O-CB 3.21Å; H532-V535 PolarHBondContact O-N 3.38Å
533	P	86.4	Confident	87.8	Confident	55 Å²	55	66.7 Å²	66.7	36%	0.357	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-4.7	-177.9	32.2	-38.2	0	0	0	113.3	E531 V535 R554	E531-P533 VanDerWaalsContact C-CD 3.49Å; P533-V535 VanDerWaalsContact C-N 3.29Å; P533-R554 HydrophobicContact CB-CB 4.05Å; P533-R554 HydrophobicContact CB-CG 4.03Å; P533-R554 HydrophobicContact CG-CB 4.41Å; P533-R554 WeakPolarHBondContact O-CA 3.33Å
534	D	91.4	Very high	87.6	Confident	15 Å²	15	62.5 Å²	62.5	8%	0.08	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	16.2	179.1	72.4	-40	0	0	0	113.6	H532 Q550 A551 G552 N553	H532-D534 PolarHBondContact O-N 3.28Å; D534-Q550 WeakPolarHBondContact O-CA 3.33Å; D534-Q550 PolarHBondContact OD1-NE2 3.18Å; D534-Q550 WeakPolarHBondContact OD2-CG 3.26Å; D534-Q550 PolarHBondContact OD2-NE2 2.91Å; D534-Q550 VanDerWaalsContact OD2-NE2 3.16Å; D534-A551 PolarHBondContact O-N 3.16Å; D534-G552 VanDerWaalsContact OD2-CA 3.29Å; D534-G552 WeakPolarHBondContact OD2-CA 3.48Å; D534-G552 PolarHBondContact OD2-N 3.5Å; D534-G552 VanDerWaalsContact OD2-N 3.12Å; D534-N553 WeakPolarHBondContact CB-O 3.4Å
535	V	94.3	Very high	87.5	Confident	2 Å²	2	63 Å²	63	1%	0.012	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.4	-171.6	170.9	0	0	0	0	112.4	A527 H532 P533 K548 Y549 Q550	A527-V535 HydrophobicContact CB-CB 4.03Å; A527-V535 HydrophobicContact CB-CG1 3.57Å; A527-V535 PolarHBondContact N-O 3.3Å; H532-V535 HydrophobicContact CB-CG2 3.89Å; H532-V535 WeakPolarHBondContact O-CB 3.21Å; H532-V535 PolarHBondContact O-N 3.38Å; P533-V535 VanDerWaalsContact C-N 3.29Å; V535-K548 HydrophobicContact CG1-CD 4.01Å; V535-K548 HydrophobicContact CG1-CG 3.61Å; V535-Y549 WeakPolarHBondContact CA-O 3.16Å; V535-Y549 WeakPolarHBondContact CG1-O 3.26Å; V535-Q550 HydrophobicContact CG2-CB 4.31Å; V535-Q550 HydrophobicContact CG2-CG 4.19Å
536	F	95.1	Very high	87.6	Confident	1 Å²	1	60.5 Å²	60.5	0%	0.004	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	163.9	169.1	66	-88.7	0	0	0	111.3	L464 M525 M526 Y549 A551 A557 W560 L564	L464-F536 HydrophobicContact CD1-CE1 4.45Å; L464-F536 HydrophobicContact CD1-CZ 3.91Å; L464-F536 HydrophobicContact CD2-CE1 4.13Å; L464-F536 HydrophobicContact CD2-CZ 4.4Å; M525-F536 CarbonylContact O-C 3.53Å; M525-F536 WeakPolarHBondContact O-CA 3.43Å; M525-F536 WeakPolarHBondContact O-CB 3.4Å; M526-F536 HydrophobicContact SD-CB 4.03Å; F536-Y549 HydrophobicContact CD2-CD2 4.07Å; F536-Y549 HydrophobicContact CD2-CG 4.35Å; F536-Y549 HydrophobicContact CE1-CG 4.42Å; F536-Y549 AromaticContact CE2-CD2 3.6Å; F536-Y549 HydrophobicContact CE2-CD2 3.6Å; F536-Y549 HydrophobicContact CE2-CE2 4.47Å; F536-Y549 AromaticContact CE2-CG 3.67Å; F536-Y549 HydrophobicContact CE2-CG 3.67Å; F536-Y549 HydrophobicContact CZ-CD1 4.41Å; F536-Y549 HydrophobicContact CZ-CD2 4.15Å; F536-Y549 AromaticContact CZ-CG 3.73Å; F536-Y549 HydrophobicContact CZ-CG 3.73Å; F536-Y549 PolarHBondContact N-O 3.12Å; F536-Y549 VanDerWaalsContact N-O 3.09Å; F536-Y549 PolarHBondContact O-N 3.49Å; F536-A551 HydrophobicContact CE1-CB 4.4Å; F536-A557 HydrophobicContact CD1-CB 4.3Å; F536-W560 HydrophobicContact CD1-CB 4.31Å; F536-W560 HydrophobicContact CE1-CB 3.6Å; F536-W560 HydrophobicContact CE1-CG 4.09Å; F536-W560 HydrophobicContact CZ-CB 3.73Å; F536-W560 HydrophobicContact CZ-CD2 4.5Å; F536-W560 HydrophobicContact CZ-CG 4.13Å; F536-L564 HydrophobicContact CD2-CD1 4.28Å; F536-L564 HydrophobicContact CE2-CD1 3.46Å; F536-L564 VanDerWaalsContact CE2-CD1 3.46Å; F536-L564 HydrophobicContact CZ-CD1 3.99Å
537	L	94.6	Very high	87.7	Confident	38 Å²	38	60 Å²	60	20%	0.199	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.9	-179.9	-62.9	169.1	0	0	0	110	A524 M525 T546 Y547 K548	A524-L537 CarbonylContact C-O 3.55Å; A524-L537 WeakPolarHBondContact CA-O 3.24Å; M525-L537 HydrophobicContact CB-CB 4.47Å; M525-L537 HydrophobicContact CE-CD1 4.33Å; M525-L537 PolarHBondContact N-O 3.29Å; M525-L537 PolarHBondContact O-N 3.26Å; L537-T546 HydrophobicContact CD2-CG2 4.23Å; L537-Y547 WeakPolarHBondContact CA-O 3.42Å; L537-K548 HydrophobicContact CD2-CB 3.78Å; L537-K548 HydrophobicContact CD2-CG 3.88Å
538	L	94.6	Very high	88.1	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	118.9	165.9	-169.7	67.1	0	0	0	108	L493 V519 L522 M523 A524 Y547 Y549	L493-L538 HydrophobicContact CD2-CD2 4.29Å; V519-L538 HydrophobicContact CG1-CD2 4.31Å; L522-L538 HydrophobicContact CB-CD1 3.91Å; L522-L538 HydrophobicContact CB-CG 4.32Å; L522-L538 HydrophobicContact CD1-CD1 4.27Å; L522-L538 HydrophobicContact CD1-CD2 3.84Å; L522-L538 HydrophobicContact CD1-CG 3.95Å; M523-L538 WeakPolarHBondContact O-CA 3.14Å; A524-L538 HydrophobicContact CB-CD1 4.17Å; L538-Y547 PolarHBondContact N-O 3.42Å; L538-Y547 PolarHBondContact O-N 2.89Å; L538-Y549 HydrophobicContact CB-CD2 4.36Å; L538-Y549 HydrophobicContact CB-CE2 3.77Å; L538-Y549 HydrophobicContact CD2-CE2 4.48Å
539	T	93.1	Very high	89	Confident	27 Å²	27	53.5 Å²	53.5	17%	0.166	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.2	-174.8	-60.2	0	0	0	0	110.7	L522 M523 N545 T546	L522-T539 WeakPolarHBondContact CA-O 3.48Å; M523-T539 PolarHBondContact N-O 3.39Å; M523-T539 PolarHBondContact O-N 3.09Å; T539-N545 CarbonylContact C-O 3.51Å; T539-N545 WeakPolarHBondContact CA-O 3.5Å; T539-T546 WeakPolarHBondContact OG1-CG2 3.45Å
540	D	91.6	Very high	89.7	Confident	30 Å²	30	53 Å²	53	16%	0.16	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	100.7	169.3	-177	-17.3	0	0	0	107.4	L522 E542 H543 G544 N545	L522-D540 HydrophobicContact CD2-CB 3.46Å; L522-D540 VanDerWaalsContact CD2-CB 3.46Å; D540-E542 VanDerWaalsContact C-N 3.33Å; D540-E542 PolarHBondContact OD1-N 3.48Å; D540-H543 VanDerWaalsContact CG-ND1 3.31Å; D540-H543 IonicContact OD1-CG 2.74Å; D540-H543 PolarHBondContact OD1-N 3.41Å; D540-H543 IonicContact OD1-ND1 2.71Å; D540-H543 PolarHBondContact OD1-ND1 3.21Å; D540-H543 WeakPolarHBondContact OD2-CB 3.46Å; D540-H543 IonicContact OD2-CE1 2.75Å; D540-H543 IonicContact OD2-CG 2.68Å; D540-H543 IonicContact OD2-ND1 2.73Å; D540-H543 PolarHBondContact OD2-ND1 3.03Å; D540-G544 CarbonylContact O-C 3.55Å; D540-G544 WeakPolarHBondContact O-CA 3.36Å; D540-G544 PolarHBondContact O-N 2.86Å; D540-N545 HydrophobicContact CB-CB 4.1Å; D540-N545 PolarHBondContact N-O 2.87Å; D540-N545 PolarHBondContact O-N 2.95Å
541	S	85.3	Confident	90.5	Very high	93 Å²	93	47.8 Å²	47.8	65%	0.65	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-28.6	-178.8	46.7	0	0	0	0	112.7
542	E	82.5	Confident	91	Very high	170 Å²	170	42.8 Å²	42.8	79%	0.794	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-42.8	-179.3	-64.9	-172.5	162.2	0	0	111.1	D540	D540-E542 VanDerWaalsContact C-N 3.33Å; D540-E542 PolarHBondContact OD1-N 3.48Å
543	H	83.8	Confident	91.2	Very high	112 Å²	112	42.1 Å²	42.1	52%	0.519	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	3.7	-178.7	-53.3	87.1	0	0	0	113.3	E472 D540 N545	E472-H543 WeakPolarHBondContact CA-O 3.24Å; D540-H543 VanDerWaalsContact CG-ND1 3.31Å; D540-H543 IonicContact OD1-CG 2.74Å; D540-H543 PolarHBondContact OD1-N 3.41Å; D540-H543 IonicContact OD1-ND1 2.71Å; D540-H543 PolarHBondContact OD1-ND1 3.21Å; D540-H543 WeakPolarHBondContact OD2-CB 3.46Å; D540-H543 IonicContact OD2-CE1 2.75Å; D540-H543 IonicContact OD2-CG 2.68Å; D540-H543 IonicContact OD2-ND1 2.73Å; D540-H543 PolarHBondContact OD2-ND1 3.03Å; H543-N545 VanDerWaalsContact C-N 3.26Å; H543-N545 VanDerWaalsContact CB-ND2 3.3Å; H543-N545 WeakPolarHBondContact CB-ND2 3.34Å; H543-N545 PolarHBondContact O-N 2.83Å
544	G	87.1	Confident	91.4	Very high	22 Å²	22	47.3 Å²	47.3	23%	0.227	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	30.6	180	0	0	0	0	0	114.1	E472 G473 D540	E472-G544 PolarHBondContact N-O 3.17Å; G473-G544 PolarHBondContact N-O 3.21Å; D540-G544 CarbonylContact O-C 3.55Å; D540-G544 WeakPolarHBondContact O-CA 3.36Å; D540-G544 PolarHBondContact O-N 2.86Å
545	N	91.7	Very high	91.2	Very high	21 Å²	21	53.2 Å²	53.2	11%	0.112	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.1	-179.1	-62.2	-55.6	0	0	0	110.8	L470 K471 E472 T539 D540 H543 Y547	L470-N545 WeakPolarHBondContact O-CA 3.11Å; K471-N545 VanDerWaalsContact CA-OD1 3.27Å; K471-N545 WeakPolarHBondContact CA-OD1 3.44Å; E472-N545 PolarHBondContact N-OD1 3.11Å; T539-N545 CarbonylContact C-O 3.51Å; T539-N545 WeakPolarHBondContact CA-O 3.5Å; D540-N545 HydrophobicContact CB-CB 4.1Å; D540-N545 PolarHBondContact N-O 2.87Å; D540-N545 PolarHBondContact O-N 2.95Å; H543-N545 VanDerWaalsContact C-N 3.26Å; H543-N545 VanDerWaalsContact CB-ND2 3.3Å; H543-N545 WeakPolarHBondContact CB-ND2 3.34Å; H543-N545 PolarHBondContact O-N 2.83Å; N545-Y547 HydrophobicContact CB-CE2 3.89Å
546	T	93.4	Very high	91	Very high	17 Å²	17	56.3 Å²	56.3	10%	0.104	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.7	174.1	-57.2	0	0	0	0	109.9	V469 L470 L537 T539	V469-T546 HydrophobicContact CB-CG2 4.14Å; V469-T546 WeakPolarHBondContact CB-O 3.04Å; V469-T546 PolarHBondContact N-O 3.47Å; L470-T546 PolarHBondContact N-O 3.38Å; L470-T546 VanDerWaalsContact N-O 3.15Å; L470-T546 PolarHBondContact O-N 3.34Å; L537-T546 HydrophobicContact CD2-CG2 4.23Å; T539-T546 WeakPolarHBondContact OG1-CG2 3.45Å
547	Y	94.2	Very high	90.8	Very high	46 Å²	46	56.3 Å²	56.3	18%	0.18	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.6	178.6	-55.4	-68.3	0	0	0	110.7	K467 T468 L537 L538 N545	K467-Y547 WeakPolarHBondContact O-CA 3.32Å; T468-Y547 HydrophobicContact CG2-CD1 4.11Å; T468-Y547 HydrophobicContact CG2-CE1 3.78Å; L537-Y547 WeakPolarHBondContact CA-O 3.42Å; L538-Y547 PolarHBondContact N-O 3.42Å; L538-Y547 PolarHBondContact O-N 2.89Å; N545-Y547 HydrophobicContact CB-CE2 3.89Å
548	K	94.8	Very high	90.6	Very high	53 Å²	53	57.9 Å²	57.9	23%	0.23	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131.1	173	-167.2	176.2	-172.8	175.9	0	109.5	R466 K467 V469 W481 V535 L537	R466-K548 CarbonylContact C-O 3.54Å; R466-K548 WeakPolarHBondContact CA-O 3.43Å; K467-K548 PolarHBondContact N-O 3.46Å; K467-K548 PolarHBondContact O-N 2.9Å; V469-K548 HydrophobicContact CG2-CB 3.63Å; W481-K548 HydrophobicContact CH2-CB 4.31Å; W481-K548 HydrophobicContact CH2-CD 4.1Å; W481-K548 HydrophobicContact CH2-CG 3.9Å; W481-K548 HydrophobicContact CZ2-CD 4.24Å; V535-K548 HydrophobicContact CG1-CD 4.01Å; V535-K548 HydrophobicContact CG1-CG 3.61Å; L537-K548 HydrophobicContact CD2-CB 3.78Å; L537-K548 HydrophobicContact CD2-CG 3.88Å
549	Y	95.9	Very high	90.4	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144	178.8	-67.5	-85.9	0	0	0	110.7	L464 K465 R466 Y495 V535 F536 L538	L464-Y549 HydrophobicContact CB-CD1 4.26Å; L464-Y549 HydrophobicContact CD1-CD1 3.99Å; K465-Y549 CarbonylContact O-C 3.27Å; K465-Y549 VanDerWaalsContact O-CA 3.24Å; K465-Y549 WeakPolarHBondContact O-CA 3.42Å; R466-Y549 HydrophobicContact CB-CD1 3.97Å; R466-Y549 HydrophobicContact CB-CE1 3.67Å; R466-Y549 WeakPolarHBondContact CD-OH 3.34Å; R466-Y549 HydrophobicContact CG-CD1 4.19Å; R466-Y549 HydrophobicContact CG-CE1 3.56Å; R466-Y549 PolarHBondContact NE-OH 2.85Å; Y495-Y549 AromaticContact CE1-CE1 3.99Å; Y495-Y549 HydrophobicContact CE1-CE1 3.99Å; Y495-Y549 PolarHBondContact OH-OH 3.19Å; V535-Y549 WeakPolarHBondContact CA-O 3.16Å; V535-Y549 WeakPolarHBondContact CG1-O 3.26Å; F536-Y549 HydrophobicContact CD2-CD2 4.07Å; F536-Y549 HydrophobicContact CD2-CG 4.35Å; F536-Y549 HydrophobicContact CE1-CG 4.42Å; F536-Y549 AromaticContact CE2-CD2 3.6Å; F536-Y549 HydrophobicContact CE2-CD2 3.6Å; F536-Y549 HydrophobicContact CE2-CE2 4.47Å; F536-Y549 AromaticContact CE2-CG 3.67Å; F536-Y549 HydrophobicContact CE2-CG 3.67Å; F536-Y549 HydrophobicContact CZ-CD1 4.41Å; F536-Y549 HydrophobicContact CZ-CD2 4.15Å; F536-Y549 AromaticContact CZ-CG 3.73Å; F536-Y549 HydrophobicContact CZ-CG 3.73Å; F536-Y549 PolarHBondContact N-O 3.12Å; F536-Y549 VanDerWaalsContact N-O 3.09Å; F536-Y549 PolarHBondContact O-N 3.49Å; L538-Y549 HydrophobicContact CB-CD2 4.36Å; L538-Y549 HydrophobicContact CB-CE2 3.77Å; L538-Y549 HydrophobicContact CD2-CE2 4.48Å
550	Q	95.1	Very high	90.5	Very high	36 Å²	36	60.7 Å²	60.7	17%	0.168	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.5	173.8	-172.3	179	45.1	0	0	109.1	L464 K465 W481 D534 V535	L464-Q550 WeakPolarHBondContact CA-O 3.37Å; K465-Q550 HydrophobicContact CB-CB 4.22Å; K465-Q550 PolarHBondContact N-O 2.92Å; K465-Q550 VanDerWaalsContact NZ-OE1 3.08Å; K465-Q550 PolarHBondContact O-N 3.36Å; W481-Q550 HydrophobicContact CH2-CB 3.95Å; W481-Q550 HydrophobicContact CZ3-CB 3.86Å; D534-Q550 WeakPolarHBondContact O-CA 3.33Å; D534-Q550 PolarHBondContact OD1-NE2 3.18Å; D534-Q550 WeakPolarHBondContact OD2-CG 3.26Å; D534-Q550 PolarHBondContact OD2-NE2 2.91Å; D534-Q550 VanDerWaalsContact OD2-NE2 3.16Å; V535-Q550 HydrophobicContact CG2-CB 4.31Å; V535-Q550 HydrophobicContact CG2-CG 4.19Å
551	A	92.9	Very high	90.6	Very high	8 Å²	8	62.2 Å²	62.2	7%	0.066	33%	0.326	C	S	.	.			trans	-104.2	4.5	-173.1	0	0	0	0	0	114.3	L464 D534 F536 N553 N556 A557	L464-A551 HydrophobicContact CD2-CB 3.59Å; D534-A551 PolarHBondContact O-N 3.16Å; F536-A551 HydrophobicContact CE1-CB 4.4Å; A551-N553 PolarHBondContact O-N 3.05Å; A551-N553 VanDerWaalsContact O-N 3.16Å; A551-N556 HydrophobicContact CB-CB 3.81Å; A551-N556 PolarHBondContact O-ND2 3.17Å; A551-A557 HydrophobicContact CB-CB 4.17Å
552	G	88.8	Confident	90.9	Very high	62 Å²	62	64.9 Å²	64.9	64%	0.639	33%	0.326	S	S	*	.	S	Bend	trans	83.9	-27.3	173.7	0	0	0	0	0	114.7	D534	D534-G552 VanDerWaalsContact OD2-CA 3.29Å; D534-G552 WeakPolarHBondContact OD2-CA 3.48Å; D534-G552 PolarHBondContact OD2-N 3.5Å; D534-G552 VanDerWaalsContact OD2-N 3.12Å
553	N	88.7	Confident	91.3	Very high	72 Å²	72	59.1 Å²	59.1	39%	0.385	30%	0.299	S	S	.	.	S	Bend	trans	-149.6	164.3	168.2	67.2	52.1	0	0	0	111.6	D534 A551 M555 N556 A557	D534-N553 WeakPolarHBondContact CB-O 3.4Å; A551-N553 PolarHBondContact O-N 3.05Å; A551-N553 VanDerWaalsContact O-N 3.16Å; N553-M555 PolarHBondContact O-N 3.24Å; N553-M555 PolarHBondContact OD1-N 3.12Å; N553-N556 PolarHBondContact ND2-ND2 2.89Å; N553-N556 PolarHBondContact O-N 3.41Å; N553-N556 WeakPolarHBondContact OD1-CB 3.42Å; N553-N556 VanDerWaalsContact OD1-CG 3.25Å; N553-N556 PolarHBondContact OD1-N 3.14Å; N553-A557 PolarHBondContact O-N 3.2Å; N553-A557 VanDerWaalsContact O-N 3.15Å
554	R	89.6	Confident	91.8	Very high	163 Å²	163	53.9 Å²	53.9	62%	0.615	28%	0.275	S	S	*	.	H	α-helix	trans	-61.3	-39.8	-178.2	-174.2	179.6	-178	-175	-0.3	113.3	P533 N556 A557 L558	P533-R554 HydrophobicContact CB-CB 4.05Å; P533-R554 HydrophobicContact CB-CG 4.03Å; P533-R554 HydrophobicContact CG-CB 4.41Å; P533-R554 WeakPolarHBondContact O-CA 3.33Å; R554-N556 PolarHBondContact O-N 3.09Å; R554-A557 PolarHBondContact O-N 3.48Å; R554-L558 HydrophobicContact CG-CD1 4.16Å; R554-L558 HydrophobicContact CG-CG 4.49Å; R554-L558 WeakPolarHBondContact O-CG 3.37Å; R554-L558 PolarHBondContact O-N 3.47Å
555	M	88.1	Confident	92	Very high	140 Å²	140	53.9 Å²	53.9	69%	0.69	27%	0.271	S	S	*	.	H	α-helix	trans	-63.5	-44.3	-177.9	-169.7	62.1	71	0	0	111.3	N553 L558 L559	N553-M555 PolarHBondContact O-N 3.24Å; N553-M555 PolarHBondContact OD1-N 3.12Å; M555-L558 PolarHBondContact O-N 3.03Å; M555-L559 WeakPolarHBondContact O-CB 3.4Å; M555-L559 PolarHBondContact O-N 2.67Å
556	N	89.8	Confident	91.8	Very high	67 Å²	67	55.7 Å²	55.7	36%	0.358	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-40.7	175.8	-71.3	-10.5	0	0	0	111.4	A551 N553 R554 L559 W560	A551-N556 HydrophobicContact CB-CB 3.81Å; A551-N556 PolarHBondContact O-ND2 3.17Å; N553-N556 PolarHBondContact ND2-ND2 2.89Å; N553-N556 PolarHBondContact O-N 3.41Å; N553-N556 WeakPolarHBondContact OD1-CB 3.42Å; N553-N556 VanDerWaalsContact OD1-CG 3.25Å; N553-N556 PolarHBondContact OD1-N 3.14Å; R554-N556 PolarHBondContact O-N 3.09Å; N556-L559 PolarHBondContact O-N 3.18Å; N556-W560 WeakPolarHBondContact O-CB 3.29Å; N556-W560 VanDerWaalsContact O-CD1 3.23Å; N556-W560 PolarHBondContact O-N 3.45Å
557	A	91.1	Very high	91.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-43.5	176.9	0	0	0	0	0	111.7	M526 F536 A551 N553 R554 W560 F561	M526-A557 HydrophobicContact CE-CB 3.97Å; F536-A557 HydrophobicContact CD1-CB 4.3Å; A551-A557 HydrophobicContact CB-CB 4.17Å; N553-A557 PolarHBondContact O-N 3.2Å; N553-A557 VanDerWaalsContact O-N 3.15Å; R554-A557 PolarHBondContact O-N 3.48Å; A557-W560 PolarHBondContact O-N 3.22Å; A557-F561 VanDerWaalsContact O-CB 3.28Å; A557-F561 WeakPolarHBondContact O-CB 3.43Å; A557-F561 PolarHBondContact O-N 3.36Å
558	L	90.4	Very high	91.4	Very high	72 Å²	72	53.6 Å²	53.6	38%	0.377	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-41.8	174.8	-71.9	171	0	0	0	112.4	M526 R554 M555 F561 K562	M526-L558 HydrophobicContact CE-CD2 4.18Å; M526-L558 HydrophobicContact CG-CD2 4.39Å; M526-L558 HydrophobicContact SD-CD2 4.22Å; R554-L558 HydrophobicContact CG-CD1 4.16Å; R554-L558 HydrophobicContact CG-CG 4.49Å; R554-L558 WeakPolarHBondContact O-CG 3.37Å; R554-L558 PolarHBondContact O-N 3.47Å; M555-L558 PolarHBondContact O-N 3.03Å; L558-F561 PolarHBondContact O-N 2.71Å; L558-K562 WeakPolarHBondContact O-CB 3.47Å; L558-K562 PolarHBondContact O-N 3.48Å
559	L	90.8	Very high	90.9	Very high	79 Å²	79	57.5 Å²	57.5	41%	0.414	30%	0.301	S	S	.	.	H	α-helix	trans	-60.9	-50.1	176.6	-177	66.6	0	0	0	111.1	V460 M555 N556 F561 K562 H563	V460-L559 HydrophobicContact CG2-CD2 4.17Å; V460-L559 HydrophobicContact CG2-CG 4.24Å; M555-L559 WeakPolarHBondContact O-CB 3.4Å; M555-L559 PolarHBondContact O-N 2.67Å; N556-L559 PolarHBondContact O-N 3.18Å; L559-F561 PolarHBondContact O-N 3.4Å; L559-K562 PolarHBondContact O-N 3.45Å; L559-H563 WeakPolarHBondContact CD1-NE2 3.24Å; L559-H563 PolarHBondContact O-CD2 2.94Å; L559-H563 PolarHBondContact O-N 2.93Å
560	W	94.6	Very high	89.5	Confident	10 Å²	10	60.9 Å²	60.9	4%	0.038	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-45.2	176.1	-87.2	101.3	0	0	0	112.1	V460 L464 V486 L488 L493 F536 N556 A557 K562 H563 L564	V460-W560 HydrophobicContact CG1-CD2 4.04Å; V460-W560 HydrophobicContact CG1-CE3 3.59Å; V460-W560 HydrophobicContact CG1-CH2 3.97Å; V460-W560 HydrophobicContact CG1-CZ2 4.41Å; V460-W560 HydrophobicContact CG1-CZ3 3.55Å; V460-W560 HydrophobicContact CG2-CD2 4.03Å; V460-W560 HydrophobicContact CG2-CE3 4.43Å; V460-W560 HydrophobicContact CG2-CG 4.43Å; V460-W560 HydrophobicContact CG2-CZ2 4.14Å; L464-W560 HydrophobicContact CD1-CD2 3.91Å; L464-W560 HydrophobicContact CD1-CE3 4.18Å; L464-W560 HydrophobicContact CD1-CG 4.45Å; L464-W560 HydrophobicContact CD1-CH2 4.25Å; L464-W560 HydrophobicContact CD1-CZ2 3.95Å; L464-W560 HydrophobicContact CD1-CZ3 4.34Å; L464-W560 HydrophobicContact CD2-CG 4.37Å; L464-W560 HydrophobicContact CG-CZ2 4.26Å; V486-W560 HydrophobicContact CB-CH2 3.82Å; V486-W560 HydrophobicContact CB-CZ2 4.17Å; V486-W560 HydrophobicContact CG1-CH2 3.64Å; V486-W560 HydrophobicContact CG1-CZ2 4.45Å; V486-W560 HydrophobicContact CG1-CZ3 4.02Å; V486-W560 WeakPolarHBondContact O-CH2 3.36Å; L488-W560 HydrophobicContact CB-CZ3 4.14Å; L493-W560 HydrophobicContact CD1-CH2 4.41Å; L493-W560 HydrophobicContact CD1-CZ3 3.8Å; F536-W560 HydrophobicContact CD1-CB 4.31Å; F536-W560 HydrophobicContact CE1-CB 3.6Å; F536-W560 HydrophobicContact CE1-CG 4.09Å; F536-W560 HydrophobicContact CZ-CB 3.73Å; F536-W560 HydrophobicContact CZ-CD2 4.5Å; F536-W560 HydrophobicContact CZ-CG 4.13Å; N556-W560 WeakPolarHBondContact O-CB 3.29Å; N556-W560 VanDerWaalsContact O-CD1 3.23Å; N556-W560 PolarHBondContact O-N 3.45Å; A557-W560 PolarHBondContact O-N 3.22Å; W560-K562 PolarHBondContact O-N 3.2Å; W560-H563 PolarHBondContact O-N 2.91Å; W560-L564 HydrophobicContact CE3-CD1 3.99Å; W560-L564 HydrophobicContact CE3-CG 4.26Å; W560-L564 VanDerWaalsContact O-CB 3.26Å; W560-L564 WeakPolarHBondContact O-CB 3.42Å; W560-L564 WeakPolarHBondContact O-CG 3.45Å; W560-L564 PolarHBondContact O-N 2.96Å
561	F	93.8	Very high	87.6	Confident	62 Å²	62	64.1 Å²	64.1	27%	0.272	34%	0.343	S	S	.	.	H	α-helix	trans	-59.7	-45.2	177.5	170.5	-103.5	0	0	0	112.4	A524 M526 A557 L558 L559 S565	A524-F561 HydrophobicContact CB-CD2 4.1Å; A524-F561 HydrophobicContact CB-CE2 4.33Å; A524-F561 WeakPolarHBondContact O-CE2 2.91Å; M526-F561 HydrophobicContact CG-CB 4.19Å; M526-F561 HydrophobicContact CG-CD1 3.87Å; M526-F561 HydrophobicContact CG-CD2 3.98Å; M526-F561 HydrophobicContact CG-CE1 4.25Å; M526-F561 HydrophobicContact CG-CE2 4.36Å; M526-F561 HydrophobicContact CG-CG 3.73Å; M526-F561 HydrophobicContact CG-CZ 4.48Å; M526-F561 HydrophobicContact SD-CB 3.54Å; M526-F561 VanDerWaalsContact SD-CB 3.54Å; M526-F561 HydrophobicContact SD-CD1 4.29Å; M526-F561 HydrophobicContact SD-CD2 4.29Å; M526-F561 HydrophobicContact SD-CG 3.79Å; A557-F561 VanDerWaalsContact O-CB 3.28Å; A557-F561 WeakPolarHBondContact O-CB 3.43Å; A557-F561 PolarHBondContact O-N 3.36Å; L558-F561 PolarHBondContact O-N 2.71Å; L559-F561 PolarHBondContact O-N 3.4Å; F561-S565 WeakPolarHBondContact CE2-OG 3.38Å; F561-S565 VanDerWaalsContact O-CB 3.24Å; F561-S565 WeakPolarHBondContact O-CB 3.28Å; F561-S565 PolarHBondContact O-N 3.27Å; F561-S565 PolarHBondContact O-OG 2.89Å
562	K	91.6	Very high	85.5	Confident	148 Å²	148	74.5 Å²	74.5	64%	0.643	38%	0.381	S	S	*	.	H	α-helix	trans	-57.8	-51.7	178.2	-179	-176.4	177.6	-176.6	0	111.6	L558 L559 W560 A566	L558-K562 WeakPolarHBondContact O-CB 3.47Å; L558-K562 PolarHBondContact O-N 3.48Å; L559-K562 PolarHBondContact O-N 3.45Å; W560-K562 PolarHBondContact O-N 3.2Å; K562-A566 PolarHBondContact O-N 3.15Å
563	H	91.9	Very high	83.3	Confident	50 Å²	50	80.6 Å²	80.6	23%	0.231	39%	0.393	C	S	.	.	H	α-helix	trans	-71.6	-39	-177	-70.6	-66.7	0	0	0	112.8	T459 V460 L488 L559 W560 A566 A567	T459-H563 HydrophobicContact CG2-CB 4.02Å; T459-H563 VanDerWaalsContact CG2-ND1 3.32Å; T459-H563 WeakPolarHBondContact CG2-ND1 3.32Å; V460-H563 HydrophobicContact CB-CB 4.4Å; V460-H563 HydrophobicContact CG1-CB 3.8Å; L488-H563 HydrophobicContact CD2-CB 4.01Å; L559-H563 WeakPolarHBondContact CD1-NE2 3.24Å; L559-H563 PolarHBondContact O-CD2 2.94Å; L559-H563 PolarHBondContact O-N 2.93Å; W560-H563 PolarHBondContact O-N 2.91Å; H563-A566 PolarHBondContact O-N 3.33Å; H563-A567 WeakPolarHBondContact O-CB 3.36Å; H563-A567 PolarHBondContact O-N 3.49Å
564	L	93.4	Very high	81	Confident	2 Å²	2	85.1 Å²	85.1	1%	0.01	41%	0.412	C	S	.	.	H	α-helix	trans	-65.2	-41.7	175	-76.8	167.9	0	0	0	111.6	L488 L493 V519 A524 F536 W560 A566 A567 C568	L488-L564 HydrophobicContact CD1-CD2 4.18Å; L488-L564 HydrophobicContact CD2-CD2 4.11Å; L488-L564 HydrophobicContact CD2-CG 4.39Å; L493-L564 HydrophobicContact CD1-CD2 4.19Å; L493-L564 HydrophobicContact CD2-CD2 4.28Å; V519-L564 HydrophobicContact CG1-CD2 4.21Å; A524-L564 HydrophobicContact CB-CB 4.06Å; F536-L564 HydrophobicContact CD2-CD1 4.28Å; F536-L564 HydrophobicContact CE2-CD1 3.46Å; F536-L564 VanDerWaalsContact CE2-CD1 3.46Å; F536-L564 HydrophobicContact CZ-CD1 3.99Å; W560-L564 HydrophobicContact CE3-CD1 3.99Å; W560-L564 HydrophobicContact CE3-CG 4.26Å; W560-L564 VanDerWaalsContact O-CB 3.26Å; W560-L564 WeakPolarHBondContact O-CB 3.42Å; W560-L564 WeakPolarHBondContact O-CG 3.45Å; W560-L564 PolarHBondContact O-N 2.96Å; L564-A566 VanDerWaalsContact C-N 3.32Å; L564-A566 PolarHBondContact O-N 3.37Å; L564-A567 PolarHBondContact O-N 3.34Å; L564-C568 WeakPolarHBondContact O-CB 3.47Å; L564-C568 PolarHBondContact O-N 3.27Å; L564-C568 PolarHBondContact O-SG 3.16Å
565	S	91.5	Very high	78.5	Confident	22 Å²	22	83.5 Å²	83.5	15%	0.154	42%	0.419	C	S	.	.	H	α-helix	trans	-60.7	-42.5	178	-60.5	0	0	0	0	111.7	F561 C568 Q569	F561-S565 WeakPolarHBondContact CE2-OG 3.38Å; F561-S565 VanDerWaalsContact O-CB 3.24Å; F561-S565 WeakPolarHBondContact O-CB 3.28Å; F561-S565 PolarHBondContact O-N 3.27Å; F561-S565 PolarHBondContact O-OG 2.89Å; S565-C568 PolarHBondContact O-N 2.81Å; S565-Q569 VanDerWaalsContact O-CG 3.26Å; S565-Q569 WeakPolarHBondContact O-CG 3.4Å; S565-Q569 PolarHBondContact O-N 2.84Å
566	A	88.3	Confident	76.1	Confident	59 Å²	59	82.5 Å²	82.5	49%	0.488	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-43.8	175	0	0	0	0	0	112.3	K562 H563 L564 C568 Q569 S570	K562-A566 PolarHBondContact O-N 3.15Å; H563-A566 PolarHBondContact O-N 3.33Å; L564-A566 VanDerWaalsContact C-N 3.32Å; L564-A566 PolarHBondContact O-N 3.37Å; A566-C568 VanDerWaalsContact C-N 3.33Å; A566-C568 PolarHBondContact O-N 3.46Å; A566-Q569 PolarHBondContact O-N 3.36Å; A566-S570 PolarHBondContact O-N 2.72Å; A566-S570 PolarHBondContact O-OG 3.22Å
567	A	89.6	Confident	73.6	Confident	7 Å²	7	85.2 Å²	85.2	6%	0.058	44%	0.443	C	S	.	.	H	α-helix	trans	-67.5	-31.5	178.3	0	0	0	0	0	113.2	L488 V519 H563 L564 Q569 S570	L488-A567 HydrophobicContact CD1-CB 4.22Å; L488-A567 HydrophobicContact CD2-CB 4.11Å; V519-A567 HydrophobicContact CG2-CB 3.63Å; H563-A567 WeakPolarHBondContact O-CB 3.36Å; H563-A567 PolarHBondContact O-N 3.49Å; L564-A567 PolarHBondContact O-N 3.34Å; A567-Q569 VanDerWaalsContact C-N 3.32Å; A567-S570 VanDerWaalsContact CA-OG 3.32Å; A567-S570 WeakPolarHBondContact CA-OG 3.47Å; A567-S570 PolarHBondContact O-OG 3.5Å; A567-S570 VanDerWaalsContact O-OG 3.09Å
568	C	89.1	Confident	71.2	Confident	12 Å²	12	89 Å²	89	8%	0.081	47%	0.474	C	S	.	.	H	α-helix	trans	-69.8	-30.8	176	-70.8	0	0	0	0	112.4	V519 G521 L522 L564 S565 A566	V519-C568 WeakPolarHBondContact O-CA 3.45Å; V519-C568 PolarHBondContact O-SG 3.08Å; G521-C568 PolarHBondContact N-O 3.18Å; L522-C568 WeakPolarHBondContact O-CB 3.43Å; L522-C568 PolarHBondContact O-SG 3.45Å; L522-C568 VanDerWaalsContact O-SG 3.37Å; L564-C568 WeakPolarHBondContact O-CB 3.47Å; L564-C568 PolarHBondContact O-N 3.27Å; L564-C568 PolarHBondContact O-SG 3.16Å; S565-C568 PolarHBondContact O-N 2.81Å; A566-C568 VanDerWaalsContact C-N 3.33Å; A566-C568 PolarHBondContact O-N 3.46Å
569	Q	83.4	Confident	68.7	Low	134 Å²	134	92.7 Å²	92.7	63%	0.626	49%	0.494	S	S	*	.	H	α-helix	trans	-91.9	-4.6	-174.9	-68.7	174	9.7	0	0	114.1	S565 A566 A567 N571 R572	S565-Q569 VanDerWaalsContact O-CG 3.26Å; S565-Q569 WeakPolarHBondContact O-CG 3.4Å; S565-Q569 PolarHBondContact O-N 2.84Å; A566-Q569 PolarHBondContact O-N 3.36Å; A567-Q569 VanDerWaalsContact C-N 3.32Å; Q569-N571 PolarHBondContact O-N 3.28Å; Q569-R572 PolarHBondContact O-N 3.19Å
570	S	66.6	Low	66.2	Low	73 Å²	73	97.4 Å²	97.4	51%	0.51	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-6.3	-167.9	-41.1	0	0	0	0	115.7	A566 A567	A566-S570 PolarHBondContact O-N 2.72Å; A566-S570 PolarHBondContact O-OG 3.22Å; A567-S570 VanDerWaalsContact CA-OG 3.32Å; A567-S570 WeakPolarHBondContact CA-OG 3.47Å; A567-S570 PolarHBondContact O-OG 3.5Å; A567-S570 VanDerWaalsContact O-OG 3.09Å
571	N	54.8	Low	63.2	Low	104 Å²	104	104.2 Å²	104.2	56%	0.556	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	12.9	179.6	-147.7	21.8	0	0	0	114.8	V520 Q569 Q573	V520-N571 HydrophobicContact CG1-CB 3.66Å; Q569-N571 PolarHBondContact O-N 3.28Å; N571-Q573 VanDerWaalsContact C-N 3.28Å; N571-Q573 PolarHBondContact O-N 3.35Å
572	R	50	Low	60.4	Low	227 Å²	227	106.8 Å²	106.8	86%	0.857	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	3.4	172.8	-90	-170.5	177.4	-171.9	-0.2	114.5	Q569	Q569-R572 PolarHBondContact O-N 3.19Å
573	Q	41.9	Very low	57.7	Low	189 Å²	189	108.5 Å²	108.5	88%	0.883	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	18.7	-176.7	-88.7	-175.4	-18.5	0	0	115.6	N571	N571-Q573 VanDerWaalsContact C-N 3.28Å; N571-Q573 PolarHBondContact O-N 3.35Å
574	Q	40.5	Very low	55	Low	167 Å²	167	118.9 Å²	118.9	78%	0.78	64%	0.635	S	S	*	*			trans	-100.6	77.3	156.5	-84.8	-173.7	-5	0	0	109.4	V576	Q574-V576 PolarHBondContact O-N 3.4Å
575	V	36.4	Very low	53.1	Low	129 Å²	129	124.8 Å²	124.8	78%	0.782	67%	0.666	S	S	*	*			trans	-70.9	112.1	157.2	177.3	0	0	0	0	106
576	V	38.9	Very low	51	Low	120 Å²	120	130.2 Å²	130.2	73%	0.727	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-49.6	129	167	-178.3	0	0	0	0	108.6	Q574 A578	Q574-V576 PolarHBondContact O-N 3.4Å; V576-A578 PolarHBondContact O-N 3.49Å; V576-A578 VanDerWaalsContact O-N 3.11Å
577	P	36	Very low	49	Very low	124 Å²	124	134.1 Å²	134.1	81%	0.805	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-63.9	116.5	167.1	-13.6	27.5	0	0	0	108
578	A	41	Very low	46.6	Very low	79 Å²	79	141.6 Å²	141.6	65%	0.653	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-62.5	140.8	173.4	0	0	0	0	0	110.4	V576	V576-A578 PolarHBondContact O-N 3.49Å; V576-A578 VanDerWaalsContact O-N 3.11Å
579	N	38.4	Very low	43.9	Very low	149 Å²	149	149.7 Å²	149.7	80%	0.797	78%	0.784	S	S	*	*			trans	86.4	85.6	157.1	-51.2	-23.9	0	0	0	117.5
580	L	37.6	Very low	41.3	Very low	179 Å²	179	150.7 Å²	150.7	94%	0.937	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-65.9	116.3	136.1	-87.3	151.6	0	0	0	108
581	M	33.3	Very low	39.5	Very low	153 Å²	153	156.3 Å²	156.3	75%	0.754	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-71.9	123.7	162.5	-72.2	-147.9	-65.7	0	0	108.9
582	S	33.9	Very low	38.3	Very low	116 Å²	116	160.3 Å²	160.3	81%	0.811	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-78.3	126.5	158.8	50.6	0	0	0	0	108.6
583	F	34.7	Very low	37.3	Very low	184 Å²	184	154.8 Å²	154.8	81%	0.807	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-80.9	136.8	166.9	-85	-95.9	0	0	0	109.5
584	E	35.6	Very low	36.9	Very low	268 Å²	268	151.6 Å²	151.6	100%	1.252	83%	0.828	S	S	*	*			trans	-59.5	0	155.8	-78.9	-175.2	149.3	0	0	111.4

Retrieved 584 of 584 residues in 136.1 ms (Link to these results)

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