A0A3Q0KR44_SCHMA Loading...

Family M13 unassigned peptidase (M13 family)

AlphaFold DB , UniProt , Accession A0A3Q0KR44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 800 aa.

						>A0A3Q0KR44_SCHMA|A0A3Q0KR44
MTDCHQYINNDKHSVILDGNCIKDDCIAFSNIKDNRTSNTSIFIDNEHKNGQNSIHLWNSHKYNHVNIWRPRKKWEFCLIFSLIIILILLIIFITLWGVQLVFNQNKPCLEPTCIKVASEILSNMDTSVSPCDDFFAYSCNGWIKQNYIPQGHNSWSVMRKLSKYDEYFTKELLENRSHTDTSRGFTLAQIYYNSCMNESVIDSRKLTPLYNYIKKIFNGWLLLPTGNPATGQQNADLFRPDKFDLTDMYLPLLKYSGATPLSRILVGQDQMNSSRFVIDLVEGYLSLQREYYVNDSYPAYSKKTGAFRRFMRNYSLLLGVPNSSLHEVDQIYEFEKQIALRTEDRSERDPEKNYELVTLQNLSTICPVLNWTKLFDYLYAPLNFKLPRDQVIALHDRTFFRERCALFKEYLKTETGIRTLHNAAVWSFMWKTVSRMPKDVSEMLEEYREAELGLKVDPDRWQICVNEVQFPFGMVIGRHFVHERFNQKSKEAATEMITEIKTAFKENFASVKWMQEADKLKAIEKVDSMKASVGYPQNINNITNENKEFSYFVDLNESTYFENALHCSEALFLEILRELIIQDPDSWSLPVHIVNAFYKENSNHIFFPAGILQSPLYNPGQPLSLNFGGIGMVVGHEITHAFDQHGAKFDAKGNMRDWWSAETLAAFEKNSQCMIDQYSNYSILNTSLNGKMTLGENIADNGGLKAAYKAFKKLEAKYSDKPILPGLNFTPDQLFFIGFAQLWCIKSLPQSVLNTVLFDVHTVEPYRVIGTITNSEEFAKVFNCPPGSSMNPVKKCHVW
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	30.7	Very low	211 Å²	211	158.4 Å²	158.4	100%	1.039	81%	0.812	S	S	*	*				0	103.3	0	-66.9	174	174.1	0	0	109.3	D3	M1-D3 WeakPolarHBondContact CA-OD2 3.48Å; M1-D3 PolarHBondContact N-OD1 2.81Å; M1-D3 PolarHBondContact N-OD2 3.03Å
2	T	39.8	Very low	30.5	Very low	142 Å²	142	160 Å²	160	87%	0.871	81%	0.809	S	S	*	*			cis	-124.5	70.7	-9.2	40.9	0	0	0	0	107.3
3	D	32.4	Very low	30.6	Very low	117 Å²	117	161.4 Å²	161.4	63%	0.626	81%	0.81	S	S	*	*				87.2	86.6	90.9	-71.8	-37.6	0	0	0	113	M1	M1-D3 WeakPolarHBondContact CA-OD2 3.48Å; M1-D3 PolarHBondContact N-OD1 2.81Å; M1-D3 PolarHBondContact N-OD2 3.03Å
4	C	29.2	Very low	30.5	Very low	128 Å²	128	157.4 Å²	157.4	87%	0.865	81%	0.805	S	S	*	*				-149.6	128.1	123.9	-118.4	0	0	0	0	110.7
5	H	31.8	Very low	30.1	Very low	158 Å²	158	155.9 Å²	155.9	73%	0.731	81%	0.805	S	S	*	*			trans	-38.9	158.8	-178.5	-70.4	-100	0	0	0	117.2
6	Q	27.9	Very low	30.1	Very low	152 Å²	152	155.5 Å²	155.5	71%	0.71	80%	0.803	S	S	*	*			cis	165.5	105.3	-10.1	179.2	178.3	12.6	0	0	105
7	Y	28	Very low	30	Very low	239 Å²	239	154.4 Å²	154.4	94%	0.937	80%	0.798	S	S	*	*			trans	-163.1	93.6	157.3	-105.4	-69	0	0	0	109.8
8	I	26.6	Very low	29.9	Very low	141 Å²	141	154.1 Å²	154.1	72%	0.723	80%	0.798	S	S	*	*			trans	-136.5	127.9	159.4	-64.4	179.1	0	0	0	105.6
9	N	30.5	Very low	29.7	Very low	166 Å²	166	149.4 Å²	149.4	89%	0.888	79%	0.791	S	S	*	*			trans	-140.7	129.9	140.1	-123.7	-3.2	0	0	0	108.6
10	N	29.2	Very low	29.7	Very low	121 Å²	121	150 Å²	150	65%	0.647	80%	0.795	S	S	*	*			trans	-79.5	149.8	172.8	-67.3	-78.7	0	0	0	108.6
11	D	30.3	Very low	29.4	Very low	167 Å²	167	149 Å²	149	89%	0.893	80%	0.798	S	S	*	*			trans	-131.9	130.8	137.4	-104.5	-40	0	0	0	109.7
12	K	27.8	Very low	29.5	Very low	178 Å²	178	146.6 Å²	146.6	77%	0.774	79%	0.788	S	S	*	*			trans	-108.2	124.5	174.4	-74.7	177	174.4	177.7	0	107.2
13	H	32.2	Very low	29	Very low	178 Å²	178	148.9 Å²	148.9	82%	0.824	79%	0.786	S	S	*	*			trans	-145.6	116.9	154.1	-101	-67.6	0	0	0	113.8
14	S	28.9	Very low	29.1	Very low	105 Å²	105	149.8 Å²	149.8	73%	0.734	79%	0.791	S	S	*	*			trans	44.3	112	144.4	50.6	0	0	0	0	121
15	V	24.6	Very low	29.2	Very low	135 Å²	135	151.9 Å²	151.9	82%	0.818	79%	0.793	S	S	*	*			trans	-71.4	141.5	141.7	173.1	0	0	0	0	109.4
16	I	29.6	Very low	29	Very low	150 Å²	150	149.3 Å²	149.3	77%	0.769	79%	0.792	S	S	*	*			trans	178.7	118.9	139.6	-93.9	156.3	0	0	0	111.8
17	L	29.1	Very low	29	Very low	136 Å²	136	150.2 Å²	150.2	71%	0.712	80%	0.8	S	S	*	*			trans	34.5	134.9	142.5	-60.2	159.6	0	0	0	124.5
18	D	28.2	Very low	29	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	79%	0.788	S	S	*	*			trans	65.4	135.8	134.2	-60.8	-17	0	0	0	124.3
19	G	25.2	Very low	29.2	Very low	65 Å²	65	146 Å²	146	67%	0.67	80%	0.797	S	S	*	*			trans	90	139.6	165.3	0	0	0	0	0	114.7
20	N	29.4	Very low	29.3	Very low	160 Å²	160	142 Å²	142	86%	0.856	78%	0.783	S	S	*	*			cis	-150.5	152.7	-0.5	-92.9	-42	0	0	0	110
21	C	24.7	Very low	29.5	Very low	129 Å²	129	143 Å²	143	87%	0.872	79%	0.788	S	S	*	*			trans	-67.5	132	160.4	-60.7	0	0	0	0	109.7
22	I	34.2	Very low	29.6	Very low	162 Å²	162	141.9 Å²	141.9	83%	0.831	78%	0.78	S	S	*	*			trans	-107.5	106.2	159.9	-63.7	177.3	0	0	0	107.2
23	K	30.2	Very low	29.9	Very low	190 Å²	190	141.7 Å²	141.7	83%	0.826	78%	0.779	S	S	*	*			trans	-86.5	132.5	151.4	-88.4	-179	169.8	-178.9	0	106.4
24	D	33.3	Very low	30.1	Very low	135 Å²	135	139.1 Å²	139.1	72%	0.722	77%	0.772	S	S	*	*			trans	-165.2	99.7	138.5	-98.8	-27.2	0	0	0	109.7
25	D	31.1	Very low	30.4	Very low	172 Å²	172	139.8 Å²	139.8	92%	0.92	77%	0.767	S	S	*	*			trans	-150	97.2	149	-120.2	-17.7	0	0	0	105.5
26	C	28.3	Very low	30.9	Very low	105 Å²	105	143.5 Å²	143.5	71%	0.709	77%	0.766	S	S	*	*			trans	-115.2	140.6	-163.1	-77.5	0	0	0	0	113.3
27	I	27.3	Very low	31.1	Very low	171 Å²	171	142 Å²	142	88%	0.877	76%	0.764	S	S	*	*			trans	-145.5	131.3	-179.3	-64.6	-177	0	0	0	106.1
28	A	27.4	Very low	31.3	Very low	82 Å²	82	140.1 Å²	140.1	68%	0.678	76%	0.762	S	S	*	*			cis	-152.7	-170.1	-1.4	0	0	0	0	0	109.4
29	F	31.9	Very low	31.4	Very low	208 Å²	208	139.7 Å²	139.7	91%	0.912	76%	0.76	S	S	*	*			trans	149	138.7	148.1	-97.7	-114	0	0	0	108.1
30	S	32	Very low	31.8	Very low	84 Å²	84	142.3 Å²	142.3	59%	0.587	76%	0.764	S	S	*	*			cis	-165	-173.5	10.5	54.2	0	0	0	0	111.6
31	N	33	Very low	31.7	Very low	142 Å²	142	139.1 Å²	139.1	76%	0.759	75%	0.753	S	S	*	*			trans	86.4	126.9	173.2	-60.3	-32.8	0	0	0	115.3
32	I	33.7	Very low	32	Very low	143 Å²	143	139.5 Å²	139.5	73%	0.733	75%	0.745	S	S	*	*			cis	-150.6	138.9	16.8	-107.9	148.6	0	0	0	112.6
33	K	34.8	Very low	31.8	Very low	174 Å²	174	140.3 Å²	140.3	76%	0.757	74%	0.743	S	S	*	*			trans	54	126.1	149.8	-68	-174.7	174.6	-172	0	125.1
34	D	35.8	Very low	31.8	Very low	124 Å²	124	137.6 Å²	137.6	66%	0.663	74%	0.737	S	S	*	*				83.8	114.8	124.8	-69.4	-36.5	0	0	0	124
35	N	35.1	Very low	31.7	Very low	118 Å²	118	137.3 Å²	137.3	63%	0.631	74%	0.735	S	S	*	*			trans	83.5	101.5	132.1	-74.1	-40.9	0	0	0	123
36	R	34.3	Very low	31.7	Very low	213 Å²	213	135.1 Å²	135.1	80%	0.804	72%	0.723	S	S	*	*				73.6	112.6	113.6	-74	-177.7	-171.1	-156	-0.1	121.5
37	T	34.5	Very low	31.9	Very low	118 Å²	118	137.6 Å²	137.6	72%	0.724	72%	0.724	S	S	*	*				65.1	107.5	127.1	62.1	0	0	0	0	121.6
38	S	32.3	Very low	32.2	Very low	97 Å²	97	136 Å²	136	68%	0.678	71%	0.713	S	S	*	*				68.7	129.2	121.6	71.4	0	0	0	0	122.9
39	N	31.9	Very low	32.6	Very low	142 Å²	142	140.1 Å²	140.1	76%	0.759	72%	0.716	S	S	*	*			trans	97	135.4	135.5	-73.2	-0.5	0	0	0	122.5
40	T	32.2	Very low	32.7	Very low	120 Å²	120	137.7 Å²	137.7	74%	0.736	71%	0.712	S	S	*	*			trans	73.6	94.5	141.6	46.2	0	0	0	0	122.3
41	S	28.7	Very low	32.8	Very low	92 Å²	92	136.9 Å²	136.9	64%	0.643	72%	0.717	S	S	*	*				57.4	112.6	103.1	71.2	0	0	0	0	123.5
42	I	29.1	Very low	33	Very low	137 Å²	137	138.7 Å²	138.7	70%	0.703	72%	0.721	S	S	*	*			trans	83.1	145.1	136.5	-42.2	151.3	0	0	0	120.3
43	F	30.6	Very low	33.1	Very low	180 Å²	180	138.7 Å²	138.7	79%	0.789	72%	0.722	S	S	*	*			trans	77.9	151.1	165.7	-64.7	-52.7	0	0	0	118
44	I	30.4	Very low	33.2	Very low	133 Å²	133	135 Å²	135	68%	0.682	72%	0.719	S	S	*	*			cis	-174.4	152.1	-31.9	-121.3	-175.8	0	0	0	105.3
45	D	30.8	Very low	33.2	Very low	128 Å²	128	135.8 Å²	135.8	68%	0.684	72%	0.721	S	S	*	*			trans	51.1	128.4	159.4	-75.5	-0.5	0	0	0	126
46	N	31	Very low	33.3	Very low	127 Å²	127	138.1 Å²	138.1	68%	0.679	73%	0.728	S	S	*	*				75.2	120.5	126.4	-66.4	-30.2	0	0	0	124.9
47	E	32.5	Very low	33.3	Very low	157 Å²	157	134.4 Å²	134.4	73%	0.734	72%	0.724	S	S	*	*				77.4	106.4	126.9	-72.3	-159.6	166.2	0	0	123.3
48	H	33.9	Very low	33.2	Very low	137 Å²	137	138.9 Å²	138.9	63%	0.634	73%	0.727	S	S	*	*				103.9	143.3	111.3	-99.7	-42.9	0	0	0	123.4
49	K	35.9	Very low	33.2	Very low	169 Å²	169	140.3 Å²	140.3	74%	0.735	73%	0.727	S	S	*	*			trans	84	143.9	146.1	-76.5	161	-173.3	169.6	0	118.4
50	N	35	Very low	33.3	Very low	156 Å²	156	137.6 Å²	137.6	83%	0.834	72%	0.719	S	S	*	*			cis	-169.7	165	-20.2	-126.5	10	0	0	0	111.9
51	G	34	Very low	33.2	Very low	68 Å²	68	140.6 Å²	140.6	70%	0.701	73%	0.725	S	S	*	*			trans	124.1	143.9	153.1	0	0	0	0	0	116.1
52	Q	36	Very low	33.7	Very low	179 Å²	179	144.9 Å²	144.9	84%	0.836	73%	0.732	S	S	*	*			cis	-165.6	169.2	-10.2	-149.9	172.6	5	0	0	110.5
53	N	36.3	Very low	33.9	Very low	143 Å²	143	147.9 Å²	147.9	77%	0.765	74%	0.736	S	S	*	*			trans	79.7	140.9	170.6	-55.1	-19.6	0	0	0	117.2
54	S	36.8	Very low	34	Very low	97 Å²	97	146 Å²	146	68%	0.678	73%	0.734	S	S	*	*			cis	-167.6	134.2	-3.9	44	0	0	0	0	115.2
55	I	35.5	Very low	34.3	Very low	140 Å²	140	148.9 Å²	148.9	72%	0.718	74%	0.744	S	S	*	*			trans	70.4	139.7	139.4	-50.8	164.4	0	0	0	122.3
56	H	36.8	Very low	34.6	Very low	168 Å²	168	148.6 Å²	148.6	78%	0.778	75%	0.747	S	S	*	*			trans	98	136.3	166.4	-63.4	-66	0	0	0	117.9
57	L	35.8	Very low	35.1	Very low	134 Å²	134	149.6 Å²	149.6	70%	0.702	75%	0.752	S	S	*	*			cis	179.3	120	-43.2	-99.2	174.8	0	0	0	106.1
58	W	31.8	Very low	35.6	Very low	212 Å²	212	149 Å²	149	80%	0.803	75%	0.753	S	S	*	*			trans	72.5	126.9	151.5	-71.6	63.4	0	0	0	125.2
59	N	31.6	Very low	35.7	Very low	127 Å²	127	153.9 Å²	153.9	68%	0.679	77%	0.765	S	S	*	*			trans	53.5	157.3	139.5	-75.6	9.7	0	0	0	122.1
60	S	33.8	Very low	36.3	Very low	85 Å²	85	156.2 Å²	156.2	59%	0.594	77%	0.77	S	S	*	*			cis	-171.5	169.5	-25.5	58.7	0	0	0	0	109.2
61	H	30.4	Very low	37	Very low	184 Å²	184	154.3 Å²	154.3	85%	0.852	77%	0.766	S	S	*	*			trans	76.3	144.8	167.6	-77.7	-79.3	0	0	0	121.7
62	K	39.4	Very low	37.8	Very low	181 Å²	181	159.3 Å²	159.3	79%	0.787	76%	0.764	S	S	*	*			trans	-66.9	138.3	170.1	-64.4	168.8	172.3	175.3	0	111.1
63	Y	32.4	Very low	38.9	Very low	200 Å²	200	157.8 Å²	157.8	78%	0.784	75%	0.754	S	S	*	*				175.3	147.1	109.4	-102.8	-76.7	0	0	0	111.5
64	N	32.8	Very low	40.2	Very low	141 Å²	141	159.3 Å²	159.3	75%	0.754	75%	0.754	S	S	*	*			trans	41	93.1	156.3	-62.5	-12.3	0	0	0	119.4
65	H	36.8	Very low	41.7	Very low	193 Å²	193	164.2 Å²	164.2	89%	0.894	76%	0.758	S	S	*	*			trans	-91.8	118.1	144.2	-98.3	-74.1	0	0	0	110.5	N67	H65-N67 PolarHBondContact O-N 2.97Å
66	V	37.9	Very low	43.3	Very low	122 Å²	122	161.9 Å²	161.9	74%	0.739	74%	0.744	S	S	*	*			trans	-60	116.3	169.9	173.1	0	0	0	0	108.9	I68	V66-I68 PolarHBondContact O-N 2.97Å
67	N	42	Very low	44.9	Very low	149 Å²	149	160.1 Å²	160.1	80%	0.797	73%	0.734	S	S	*	*			trans	-66.2	105	166.5	-98.1	-29.7	0	0	0	108.5	H65 W69	H65-N67 PolarHBondContact O-N 2.97Å; N67-W69 PolarHBondContact O-N 3.24Å
68	I	43.1	Very low	46.9	Very low	145 Å²	145	157.3 Å²	157.3	74%	0.744	73%	0.725	S	S	*	*			trans	-62.2	106.1	173.3	-64.5	172.7	0	0	0	107.7	V66 R70	V66-I68 PolarHBondContact O-N 2.97Å; I68-R70 PolarHBondContact O-N 3.1Å
69	W	35.6	Very low	49.3	Very low	238 Å²	238	152.7 Å²	152.7	90%	0.902	72%	0.715	S	S	*	*			trans	-61.4	87.8	163.4	-87.7	66.3	0	0	0	108.7	N67	N67-W69 PolarHBondContact O-N 3.24Å
70	R	47.9	Very low	51.8	Low	218 Å²	218	151.1 Å²	151.1	82%	0.823	71%	0.706	S	S	*	*			trans	-62.5	127.5	154.5	-74.1	-172.6	176.1	-172.7	-0	106.3	I68 R72	I68-R70 PolarHBondContact O-N 3.1Å; R70-R72 PolarHBondContact O-N 3.18Å
71	P	49.3	Very low	54.4	Low	117 Å²	117	153.7 Å²	153.7	76%	0.76	71%	0.707	S	S	*	*			trans	-63	111.3	172.4	26.2	-32.1	0	0	0	107.6	K73	P71-K73 PolarHBondContact O-N 3.49Å; P71-K73 VanDerWaalsContact O-N 3.1Å
72	R	51.4	Low	57.1	Low	172 Å²	172	147.8 Å²	147.8	65%	0.649	69%	0.686	S	S	*	*			trans	-51.1	122.3	163.7	-88.2	-174.5	167.5	165.3	-2.2	106.5	R70 K74 F77	R70-R72 PolarHBondContact O-N 3.18Å; R72-K74 PolarHBondContact O-N 3Å; R72-F77 HydrophobicContact CB-CD2 4.41Å; R72-F77 HydrophobicContact CB-CE2 4.42Å
73	K	59.2	Low	59.5	Low	148 Å²	148	144.6 Å²	144.6	64%	0.643	68%	0.677	S	S	*	*			trans	-54.6	126.3	-178.8	-82.7	-177.8	177.1	-179.4	0	107.1	P71 W75 E76	P71-K73 PolarHBondContact O-N 3.49Å; P71-K73 VanDerWaalsContact O-N 3.1Å; K73-W75 PolarHBondContact O-N 2.85Å; K73-E76 WeakPolarHBondContact O-CB 3.38Å; K73-E76 PolarHBondContact O-N 3.29Å
74	K	63.4	Low	62.4	Low	174 Å²	174	139.1 Å²	139.1	76%	0.757	66%	0.661	S	S	*	*	H	α-helix	trans	-46.3	-36.7	-176.6	-73.5	-175.2	173.6	-177.1	0	112.6	R72 E76 F77 C78	R72-K74 PolarHBondContact O-N 3Å; K74-E76 VanDerWaalsContact C-N 3.32Å; K74-E76 PolarHBondContact O-N 2.8Å; K74-F77 PolarHBondContact O-N 3.35Å; K74-F77 VanDerWaalsContact O-N 3.14Å; K74-C78 PolarHBondContact O-N 3.5Å; K74-C78 PolarHBondContact O-SG 3.38Å; K74-C78 VanDerWaalsContact O-SG 3.35Å
75	W	69.6	Low	65.3	Low	200 Å²	200	136 Å²	136	76%	0.758	64%	0.643	S	S	*	*	H	α-helix	trans	-47.6	-38.2	171.2	-47.2	82.6	0	0	0	115.6	K73 C78 L79	K73-W75 PolarHBondContact O-N 2.85Å; W75-C78 PolarHBondContact O-N 3.44Å; W75-L79 WeakPolarHBondContact O-CB 3.4Å; W75-L79 WeakPolarHBondContact O-CG 3.37Å; W75-L79 PolarHBondContact O-N 3.14Å
76	E	69.1	Low	68.1	Low	91 Å²	91	131.3 Å²	131.3	43%	0.425	62%	0.624	S	S	.	*	H	α-helix	trans	-70.2	-41.8	177.2	-69.4	172.3	-175.3	0	0	111.7	K73 K74 L79 I80	K73-E76 WeakPolarHBondContact O-CB 3.38Å; K73-E76 PolarHBondContact O-N 3.29Å; K74-E76 VanDerWaalsContact C-N 3.32Å; K74-E76 PolarHBondContact O-N 2.8Å; E76-L79 PolarHBondContact O-N 2.92Å; E76-I80 WeakPolarHBondContact O-CG1 3.47Å; E76-I80 PolarHBondContact O-N 2.9Å
77	F	69.4	Low	70.8	Confident	131 Å²	131	130.6 Å²	130.6	58%	0.575	62%	0.615	S	S	*	*	H	α-helix	trans	-65.4	-40.3	172.3	-97.3	-80	0	0	0	111.1	R72 K74 I80 F81	R72-F77 HydrophobicContact CB-CD2 4.41Å; R72-F77 HydrophobicContact CB-CE2 4.42Å; K74-F77 PolarHBondContact O-N 3.35Å; K74-F77 VanDerWaalsContact O-N 3.14Å; F77-I80 PolarHBondContact O-N 3.45Å; F77-F81 VanDerWaalsContact O-CB 3.26Å; F77-F81 WeakPolarHBondContact O-CB 3.47Å; F77-F81 PolarHBondContact O-N 3.41Å
78	C	79	Confident	73.4	Confident	76 Å²	76	127.7 Å²	127.7	51%	0.514	60%	0.599	S	S	.	*	H	α-helix	trans	-59.7	-47.5	172.6	-65.3	0	0	0	0	111.5	K74 W75 I80 F81 S82	K74-C78 PolarHBondContact O-N 3.5Å; K74-C78 PolarHBondContact O-SG 3.38Å; K74-C78 VanDerWaalsContact O-SG 3.35Å; W75-C78 PolarHBondContact O-N 3.44Å; C78-I80 PolarHBondContact O-N 3.32Å; C78-F81 PolarHBondContact O-N 2.94Å; C78-S82 WeakPolarHBondContact O-CB 3.41Å; C78-S82 PolarHBondContact O-N 2.88Å; C78-S82 PolarHBondContact O-OG 3.44Å
79	L	82.2	Confident	75.9	Confident	114 Å²	114	125.7 Å²	125.7	60%	0.597	59%	0.589	S	S	*	*	H	α-helix	trans	-60.8	-44.4	178.5	-83.3	168.7	0	0	0	112.9	W75 E76 S82 L83	W75-L79 WeakPolarHBondContact O-CB 3.4Å; W75-L79 WeakPolarHBondContact O-CG 3.37Å; W75-L79 PolarHBondContact O-N 3.14Å; E76-L79 PolarHBondContact O-N 2.92Å; L79-S82 PolarHBondContact O-N 3.33Å; L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 2.77Å
80	I	83.4	Confident	78.7	Confident	95 Å²	95	118.5 Å²	118.5	49%	0.487	57%	0.568	S	S	.	*	H	α-helix	trans	-64.4	-43.1	176	-67.8	168.2	0	0	0	110.4	E76 F77 C78 L83 I84	E76-I80 WeakPolarHBondContact O-CG1 3.47Å; E76-I80 PolarHBondContact O-N 2.9Å; F77-I80 PolarHBondContact O-N 3.45Å; C78-I80 PolarHBondContact O-N 3.32Å; I80-L83 PolarHBondContact O-N 3.02Å; I80-I84 HydrophobicContact CG2-CD1 3.87Å; I80-I84 VanDerWaalsContact O-CG1 3.29Å; I80-I84 WeakPolarHBondContact O-CG1 3.26Å; I80-I84 PolarHBondContact O-N 2.91Å
81	F	87.5	Confident	81	Confident	139 Å²	139	112.6 Å²	112.6	61%	0.61	55%	0.552	S	S	*	*	H	α-helix	trans	-66.2	-39.6	178	-157.4	-102.4	0	0	0	112	F77 C78 I84 I85	F77-F81 VanDerWaalsContact O-CB 3.26Å; F77-F81 WeakPolarHBondContact O-CB 3.47Å; F77-F81 PolarHBondContact O-N 3.41Å; C78-F81 PolarHBondContact O-N 2.94Å; F81-I84 PolarHBondContact O-N 2.9Å; F81-I85 HydrophobicContact CD1-CD1 3.57Å; F81-I85 HydrophobicContact CD1-CG1 4.36Å; F81-I85 HydrophobicContact CE1-CD1 3.67Å; F81-I85 HydrophobicContact CE1-CG1 4.41Å; F81-I85 VanDerWaalsContact O-CG1 3.31Å; F81-I85 WeakPolarHBondContact O-CG1 3.37Å; F81-I85 PolarHBondContact O-N 2.94Å
82	S	86.9	Confident	83.2	Confident	59 Å²	59	110.8 Å²	110.8	41%	0.413	54%	0.535	S	S	.	.	H	α-helix	trans	-63	-43.1	172.4	-66.2	0	0	0	0	112.1	C78 L79 I85 I86	C78-S82 WeakPolarHBondContact O-CB 3.41Å; C78-S82 PolarHBondContact O-N 2.88Å; C78-S82 PolarHBondContact O-OG 3.44Å; L79-S82 PolarHBondContact O-N 3.33Å; S82-I85 PolarHBondContact O-N 3.33Å; S82-I86 WeakPolarHBondContact O-CB 3.22Å; S82-I86 WeakPolarHBondContact O-CD1 3.34Å; S82-I86 VanDerWaalsContact O-CG1 3.22Å; S82-I86 WeakPolarHBondContact O-CG1 3.43Å; S82-I86 PolarHBondContact O-N 2.84Å
83	L	90.9	Very high	85.3	Confident	114 Å²	114	109.1 Å²	109.1	60%	0.597	53%	0.532	S	S	*	.	H	α-helix	trans	-63.2	-40.8	175	-83.8	162.9	0	0	0	112	L79 I80 I86 L87	L79-L83 WeakPolarHBondContact O-CB 3.35Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 2.77Å; I80-L83 PolarHBondContact O-N 3.02Å; L83-I86 PolarHBondContact O-N 3.25Å; L83-L87 WeakPolarHBondContact O-CB 3.27Å; L83-L87 PolarHBondContact O-N 3.22Å
84	I	92.9	Very high	87	Confident	86 Å²	86	106.8 Å²	106.8	44%	0.441	53%	0.526	S	S	.	.	H	α-helix	trans	-64.1	-44.3	174.5	-69.6	165.8	0	0	0	110.7	I80 F81 L87 I88	I80-I84 HydrophobicContact CG2-CD1 3.87Å; I80-I84 VanDerWaalsContact O-CG1 3.29Å; I80-I84 WeakPolarHBondContact O-CG1 3.26Å; I80-I84 PolarHBondContact O-N 2.91Å; F81-I84 PolarHBondContact O-N 2.9Å; I84-L87 PolarHBondContact O-N 3.24Å; I84-I88 HydrophobicContact CG2-CD1 3.74Å; I84-I88 HydrophobicContact CG2-CG1 4.47Å; I84-I88 WeakPolarHBondContact O-CB 3.29Å; I84-I88 VanDerWaalsContact O-CG1 3.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.31Å; I84-I88 PolarHBondContact O-N 3.37Å
85	I	94.2	Very high	88.4	Confident	75 Å²	75	102.2 Å²	102.2	39%	0.385	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-45.9	175.1	-72.4	166.8	0	0	0	111	F81 S82 L87 I88 L89	F81-I85 HydrophobicContact CD1-CD1 3.57Å; F81-I85 HydrophobicContact CD1-CG1 4.36Å; F81-I85 HydrophobicContact CE1-CD1 3.67Å; F81-I85 HydrophobicContact CE1-CG1 4.41Å; F81-I85 VanDerWaalsContact O-CG1 3.31Å; F81-I85 WeakPolarHBondContact O-CG1 3.37Å; F81-I85 PolarHBondContact O-N 2.94Å; S82-I85 PolarHBondContact O-N 3.33Å; I85-L87 VanDerWaalsContact C-N 3.33Å; I85-L87 PolarHBondContact O-N 3.38Å; I85-I88 PolarHBondContact O-N 3.4Å; I85-L89 HydrophobicContact CG2-CD1 3.78Å; I85-L89 HydrophobicContact CG2-CG 4.29Å; I85-L89 WeakPolarHBondContact O-CB 3.42Å; I85-L89 VanDerWaalsContact O-CG 3.3Å; I85-L89 WeakPolarHBondContact O-CG 3.5Å; I85-L89 PolarHBondContact O-N 2.98Å
86	I	94.6	Very high	89.5	Confident	94 Å²	94	97.9 Å²	97.9	48%	0.482	50%	0.504	S	S	.	.	H	α-helix	trans	-61.1	-42.9	177.9	-71.4	163.3	0	0	0	110.5	S82 L83 L89 L90	S82-I86 WeakPolarHBondContact O-CB 3.22Å; S82-I86 WeakPolarHBondContact O-CD1 3.34Å; S82-I86 VanDerWaalsContact O-CG1 3.22Å; S82-I86 WeakPolarHBondContact O-CG1 3.43Å; S82-I86 PolarHBondContact O-N 2.84Å; L83-I86 PolarHBondContact O-N 3.25Å; I86-L89 PolarHBondContact O-N 2.93Å; I86-L90 HydrophobicContact CG2-CD1 4.27Å; I86-L90 WeakPolarHBondContact O-CB 3.39Å; I86-L90 PolarHBondContact O-N 3.48Å
87	L	94.9	Very high	90.6	Very high	107 Å²	107	101 Å²	101	56%	0.56	51%	0.512	S	S	*	.	H	α-helix	trans	-63.7	-43.4	176.8	-170.8	71.5	0	0	0	111.9	L83 I84 I85 L90 I91	L83-L87 WeakPolarHBondContact O-CB 3.27Å; L83-L87 PolarHBondContact O-N 3.22Å; I84-L87 PolarHBondContact O-N 3.24Å; I85-L87 VanDerWaalsContact C-N 3.33Å; I85-L87 PolarHBondContact O-N 3.38Å; L87-L90 WeakPolarHBondContact O-CB 3.43Å; L87-L90 PolarHBondContact O-N 3.31Å; L87-I91 HydrophobicContact CG-CD1 4.18Å; L87-I91 VanDerWaalsContact O-CG1 3.3Å; L87-I91 WeakPolarHBondContact O-CG1 3.38Å; L87-I91 PolarHBondContact O-N 3.38Å
88	I	96	Very high	91.4	Very high	88 Å²	88	96.1 Å²	96.1	45%	0.451	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-44.6	175.8	-70.5	166.3	0	0	0	110.7	I84 I85 L90 I91 I92	I84-I88 HydrophobicContact CG2-CD1 3.74Å; I84-I88 HydrophobicContact CG2-CG1 4.47Å; I84-I88 WeakPolarHBondContact O-CB 3.29Å; I84-I88 VanDerWaalsContact O-CG1 3.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.31Å; I84-I88 PolarHBondContact O-N 3.37Å; I85-I88 PolarHBondContact O-N 3.4Å; I88-L90 VanDerWaalsContact C-N 3.34Å; I88-L90 PolarHBondContact O-N 2.86Å; I88-I91 PolarHBondContact O-N 2.66Å; I88-I92 HydrophobicContact CG2-CD1 3.74Å; I88-I92 HydrophobicContact CG2-CG1 4.46Å; I88-I92 WeakPolarHBondContact O-CB 3.49Å; I88-I92 VanDerWaalsContact O-CG1 3.27Å; I88-I92 WeakPolarHBondContact O-CG1 3.24Å; I88-I92 PolarHBondContact O-N 2.7Å
89	L	95.9	Very high	91.7	Very high	103 Å²	103	96.8 Å²	96.8	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-37.2	176.2	-71.4	171.4	0	0	0	112.2	I85 I86 I92 F93	I85-L89 HydrophobicContact CG2-CD1 3.78Å; I85-L89 HydrophobicContact CG2-CG 4.29Å; I85-L89 WeakPolarHBondContact O-CB 3.42Å; I85-L89 VanDerWaalsContact O-CG 3.3Å; I85-L89 WeakPolarHBondContact O-CG 3.5Å; I85-L89 PolarHBondContact O-N 2.98Å; I86-L89 PolarHBondContact O-N 2.93Å; L89-I92 PolarHBondContact O-N 3.3Å; L89-F93 VanDerWaalsContact O-CB 3.32Å; L89-F93 WeakPolarHBondContact O-CB 3.48Å; L89-F93 PolarHBondContact O-N 2.87Å
90	L	95.8	Very high	91.8	Very high	88 Å²	88	97 Å²	97	46%	0.461	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-44.6	172.8	-106.6	158	0	0	0	111.9	I86 L87 I88 F93 I94	I86-L90 HydrophobicContact CG2-CD1 4.27Å; I86-L90 WeakPolarHBondContact O-CB 3.39Å; I86-L90 PolarHBondContact O-N 3.48Å; L87-L90 WeakPolarHBondContact O-CB 3.43Å; L87-L90 PolarHBondContact O-N 3.31Å; I88-L90 VanDerWaalsContact C-N 3.34Å; I88-L90 PolarHBondContact O-N 2.86Å; L90-F93 PolarHBondContact O-N 3.37Å; L90-I94 HydrophobicContact CD2-CD1 4.16Å; L90-I94 WeakPolarHBondContact O-CB 3.32Å; L90-I94 WeakPolarHBondContact O-CD1 3.04Å; L90-I94 VanDerWaalsContact O-CG1 3.24Å; L90-I94 WeakPolarHBondContact O-CG1 3.4Å; L90-I94 PolarHBondContact O-N 2.97Å
91	I	95.6	Very high	91.5	Very high	94 Å²	94	96.1 Å²	96.1	48%	0.482	49%	0.494	S	S	.	.	H	α-helix	trans	-62.3	-45.3	175.6	-69	164.2	0	0	0	110.2	L87 I88 F93 I94 T95	L87-I91 HydrophobicContact CG-CD1 4.18Å; L87-I91 VanDerWaalsContact O-CG1 3.3Å; L87-I91 WeakPolarHBondContact O-CG1 3.38Å; L87-I91 PolarHBondContact O-N 3.38Å; I88-I91 PolarHBondContact O-N 2.66Å; I91-F93 VanDerWaalsContact C-N 3.35Å; I91-F93 PolarHBondContact O-N 3.07Å; I91-I94 PolarHBondContact O-N 2.87Å; I91-T95 HydrophobicContact CG2-CG2 4.46Å; I91-T95 WeakPolarHBondContact O-CG2 3.35Å; I91-T95 PolarHBondContact O-N 2.88Å; I91-T95 PolarHBondContact O-OG1 3.48Å; I91-T95 VanDerWaalsContact O-OG1 3.07Å
92	I	95.7	Very high	90.9	Very high	79 Å²	79	93.2 Å²	93.2	41%	0.405	49%	0.487	S	S	.	.	H	α-helix	trans	-61.8	-41.5	175.9	-69.2	166.4	0	0	0	111.1	I88 L89 T95 L96	I88-I92 HydrophobicContact CG2-CD1 3.74Å; I88-I92 HydrophobicContact CG2-CG1 4.46Å; I88-I92 WeakPolarHBondContact O-CB 3.49Å; I88-I92 VanDerWaalsContact O-CG1 3.27Å; I88-I92 WeakPolarHBondContact O-CG1 3.24Å; I88-I92 PolarHBondContact O-N 2.7Å; L89-I92 PolarHBondContact O-N 3.3Å; I92-T95 WeakPolarHBondContact CA-OG1 3.45Å; I92-T95 PolarHBondContact O-OG1 3.28Å; I92-T95 VanDerWaalsContact O-OG1 3.1Å; I92-L96 HydrophobicContact CG2-CD1 3.75Å; I92-L96 HydrophobicContact CG2-CG 4.27Å; I92-L96 VanDerWaalsContact O-CB 3.27Å; I92-L96 WeakPolarHBondContact O-CB 3.3Å; I92-L96 WeakPolarHBondContact O-CG 3.27Å; I92-L96 PolarHBondContact O-N 2.73Å
93	F	95.4	Very high	90.2	Very high	137 Å²	137	96.9 Å²	96.9	60%	0.601	50%	0.496	S	S	*	.	H	α-helix	trans	-65.9	-43.4	177.3	-176.1	-95	0	0	0	111.8	L89 L90 I91 L96 W97	L89-F93 VanDerWaalsContact O-CB 3.32Å; L89-F93 WeakPolarHBondContact O-CB 3.48Å; L89-F93 PolarHBondContact O-N 2.87Å; L90-F93 PolarHBondContact O-N 3.37Å; I91-F93 VanDerWaalsContact C-N 3.35Å; I91-F93 PolarHBondContact O-N 3.07Å; F93-L96 PolarHBondContact O-N 3.28Å; F93-W97 WeakPolarHBondContact O-CB 3.47Å; F93-W97 PolarHBondContact O-N 2.9Å
94	I	94.5	Very high	89.1	Confident	99 Å²	99	95.2 Å²	95.2	51%	0.508	49%	0.488	S	S	.	.	H	α-helix	trans	-65.8	-41	177.7	-68.9	164.3	0	0	0	111	L90 I91 W97 G98	L90-I94 HydrophobicContact CD2-CD1 4.16Å; L90-I94 WeakPolarHBondContact O-CB 3.32Å; L90-I94 WeakPolarHBondContact O-CD1 3.04Å; L90-I94 VanDerWaalsContact O-CG1 3.24Å; L90-I94 WeakPolarHBondContact O-CG1 3.4Å; L90-I94 PolarHBondContact O-N 2.97Å; I91-I94 PolarHBondContact O-N 2.87Å; I94-W97 PolarHBondContact O-N 2.71Å; I94-G98 PolarHBondContact O-N 2.93Å
95	T	93.6	Very high	88	Confident	78 Å²	78	98.4 Å²	98.4	48%	0.479	50%	0.5	S	S	.	.	H	α-helix	trans	-69.8	-41.9	176.5	55.8	0	0	0	0	111.9	I91 I92 W97 G98 V99	I91-T95 HydrophobicContact CG2-CG2 4.46Å; I91-T95 WeakPolarHBondContact O-CG2 3.35Å; I91-T95 PolarHBondContact O-N 2.88Å; I91-T95 PolarHBondContact O-OG1 3.48Å; I91-T95 VanDerWaalsContact O-OG1 3.07Å; I92-T95 WeakPolarHBondContact CA-OG1 3.45Å; I92-T95 PolarHBondContact O-OG1 3.28Å; I92-T95 VanDerWaalsContact O-OG1 3.1Å; T95-W97 PolarHBondContact O-N 3.25Å; T95-G98 PolarHBondContact O-N 2.95Å; T95-V99 WeakPolarHBondContact O-CB 3.49Å; T95-V99 VanDerWaalsContact O-CG2 3.26Å; T95-V99 WeakPolarHBondContact O-CG2 3.49Å; T95-V99 PolarHBondContact O-N 2.86Å
96	L	93	Very high	86.9	Confident	108 Å²	108	99.7 Å²	99.7	57%	0.565	51%	0.508	S	S	*	.	H	α-helix	trans	-63.1	-39.9	173.6	-73.3	173.5	0	0	0	112	I92 F93 V99 Q100	I92-L96 HydrophobicContact CG2-CD1 3.75Å; I92-L96 HydrophobicContact CG2-CG 4.27Å; I92-L96 VanDerWaalsContact O-CB 3.27Å; I92-L96 WeakPolarHBondContact O-CB 3.3Å; I92-L96 WeakPolarHBondContact O-CG 3.27Å; I92-L96 PolarHBondContact O-N 2.73Å; F93-L96 PolarHBondContact O-N 3.28Å; L96-V99 PolarHBondContact O-N 3.47Å; L96-Q100 VanDerWaalsContact O-CB 3.31Å; L96-Q100 WeakPolarHBondContact O-CB 3.46Å; L96-Q100 PolarHBondContact O-N 3.13Å
97	W	90.6	Very high	86.2	Confident	157 Å²	157	100.6 Å²	100.6	60%	0.595	51%	0.509	S	S	*	.	H	α-helix	trans	-67.7	-41.8	176.1	-173.3	72.6	0	0	0	111.9	F93 I94 T95 Q100 L101	F93-W97 WeakPolarHBondContact O-CB 3.47Å; F93-W97 PolarHBondContact O-N 2.9Å; I94-W97 PolarHBondContact O-N 2.71Å; T95-W97 PolarHBondContact O-N 3.25Å; W97-Q100 WeakPolarHBondContact O-CB 3.45Å; W97-Q100 PolarHBondContact O-N 3.4Å; W97-L101 HydrophobicContact CD2-CD1 3.86Å; W97-L101 HydrophobicContact CD2-CG 4.47Å; W97-L101 HydrophobicContact CE3-CD1 3.73Å; W97-L101 HydrophobicContact CH2-CD1 3.71Å; W97-L101 HydrophobicContact CZ2-CD1 3.82Å; W97-L101 HydrophobicContact CZ3-CD1 3.66Å; W97-L101 WeakPolarHBondContact O-CG 3.23Å; W97-L101 PolarHBondContact O-N 3.05Å
98	G	86.4	Confident	85.8	Confident	28 Å²	28	98.3 Å²	98.3	29%	0.289	50%	0.5	S	S	.	.	H	α-helix	trans	-61.4	-43.7	172.1	0	0	0	0	0	112.7	I94 T95 L101 V102	I94-G98 PolarHBondContact O-N 2.93Å; T95-G98 PolarHBondContact O-N 2.95Å; G98-L101 PolarHBondContact O-N 2.89Å; G98-V102 WeakPolarHBondContact O-CG2 3.47Å; G98-V102 PolarHBondContact O-N 3.23Å
99	V	86	Confident	85.4	Confident	91 Å²	91	95.2 Å²	95.2	55%	0.552	49%	0.486	S	S	*	.	H	α-helix	trans	-61.8	-44.8	172.9	168.5	0	0	0	0	110.6	T95 L96 L101 V102 F103	T95-V99 WeakPolarHBondContact O-CB 3.49Å; T95-V99 VanDerWaalsContact O-CG2 3.26Å; T95-V99 WeakPolarHBondContact O-CG2 3.49Å; T95-V99 PolarHBondContact O-N 2.86Å; L96-V99 PolarHBondContact O-N 3.47Å; V99-L101 VanDerWaalsContact C-N 3.33Å; V99-L101 PolarHBondContact O-N 3.16Å; V99-V102 PolarHBondContact O-N 3.32Å; V99-F103 VanDerWaalsContact O-CB 3.22Å; V99-F103 WeakPolarHBondContact O-CB 3.31Å; V99-F103 PolarHBondContact O-N 2.66Å
100	Q	83.7	Confident	85.1	Confident	117 Å²	117	96.1 Å²	96.1	55%	0.547	49%	0.491	S	S	.	.	H	α-helix	trans	-60.8	-39.6	177.6	-168.2	79.7	2.4	0	0	112.1	L96 W97 N104	L96-Q100 VanDerWaalsContact O-CB 3.31Å; L96-Q100 WeakPolarHBondContact O-CB 3.46Å; L96-Q100 PolarHBondContact O-N 3.13Å; W97-Q100 WeakPolarHBondContact O-CB 3.45Å; W97-Q100 PolarHBondContact O-N 3.4Å; Q100-N104 WeakPolarHBondContact O-CB 3.46Å; Q100-N104 PolarHBondContact O-N 3.44Å
101	L	78.4	Confident	84.8	Confident	78 Å²	78	97.5 Å²	97.5	41%	0.408	50%	0.495	S	S	.	.	H	α-helix	trans	-65	-49.7	175.4	-75.4	170.2	0	0	0	111.7	W97 G98 V99 F103 N104 Q105	W97-L101 HydrophobicContact CD2-CD1 3.86Å; W97-L101 HydrophobicContact CD2-CG 4.47Å; W97-L101 HydrophobicContact CE3-CD1 3.73Å; W97-L101 HydrophobicContact CH2-CD1 3.71Å; W97-L101 HydrophobicContact CZ2-CD1 3.82Å; W97-L101 HydrophobicContact CZ3-CD1 3.66Å; W97-L101 WeakPolarHBondContact O-CG 3.23Å; W97-L101 PolarHBondContact O-N 3.05Å; G98-L101 PolarHBondContact O-N 2.89Å; V99-L101 VanDerWaalsContact C-N 3.33Å; V99-L101 PolarHBondContact O-N 3.16Å; L101-F103 VanDerWaalsContact C-N 3.3Å; L101-F103 PolarHBondContact O-N 3.13Å; L101-N104 PolarHBondContact O-N 3.2Å; L101-Q105 PolarHBondContact O-N 2.59Å
102	V	74.3	Confident	84.5	Confident	78 Å²	78	98.3 Å²	98.3	47%	0.473	51%	0.506	S	S	.	.	H	α-helix	trans	-62.3	-38.7	176.4	172.6	0	0	0	0	111.2	G98 V99 Q105 N106	G98-V102 WeakPolarHBondContact O-CG2 3.47Å; G98-V102 PolarHBondContact O-N 3.23Å; V99-V102 PolarHBondContact O-N 3.32Å; V102-Q105 PolarHBondContact O-N 3.1Å; V102-N106 WeakPolarHBondContact O-CB 2.98Å; V102-N106 PolarHBondContact O-N 2.92Å; V102-N106 PolarHBondContact O-ND2 3.34Å
103	F	72.8	Confident	84.1	Confident	136 Å²	136	96.6 Å²	96.6	60%	0.596	50%	0.499	S	S	*	.	H	α-helix	trans	-69.2	-35.4	178.1	-153.5	-79.7	0	0	0	112	V99 L101 N106 K107	V99-F103 VanDerWaalsContact O-CB 3.22Å; V99-F103 WeakPolarHBondContact O-CB 3.31Å; V99-F103 PolarHBondContact O-N 2.66Å; L101-F103 VanDerWaalsContact C-N 3.3Å; L101-F103 PolarHBondContact O-N 3.13Å; F103-N106 PolarHBondContact O-N 3.48Å; F103-K107 PolarHBondContact O-N 3.33Å
104	N	67.7	Low	83.9	Confident	79 Å²	79	90.1 Å²	90.1	42%	0.422	47%	0.471	S	S	.	.	H	α-helix	trans	-70.3	-38	173.1	-82.9	-20.4	0	0	0	112.4	Q100 L101 N106 K107	Q100-N104 WeakPolarHBondContact O-CB 3.46Å; Q100-N104 PolarHBondContact O-N 3.44Å; L101-N104 PolarHBondContact O-N 3.2Å; N104-N106 VanDerWaalsContact C-N 3.29Å; N104-N106 PolarHBondContact O-N 2.7Å; N104-K107 PolarHBondContact O-N 3.27Å; N104-K107 WeakPolarHBondContact OD1-CE 3.46Å; N104-K107 PolarHBondContact OD1-NZ 3.1Å
105	Q	68.5	Low	83.8	Confident	152 Å²	152	89.3 Å²	89.3	71%	0.71	47%	0.467	S	S	*	.	H	α-helix	trans	-66	-30.1	173.6	-75.8	-176.1	-27.4	0	0	112.9	L101 V102	L101-Q105 PolarHBondContact O-N 2.59Å; V102-Q105 PolarHBondContact O-N 3.1Å
106	N	71.8	Confident	83.8	Confident	102 Å²	102	91.4 Å²	91.4	55%	0.545	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	16.5	-179.5	-69.9	-37	0	0	0	114.2	V102 F103 N104 I724	V102-N106 WeakPolarHBondContact O-CB 2.98Å; V102-N106 PolarHBondContact O-N 2.92Å; V102-N106 PolarHBondContact O-ND2 3.34Å; F103-N106 PolarHBondContact O-N 3.48Å; N104-N106 VanDerWaalsContact C-N 3.29Å; N104-N106 PolarHBondContact O-N 2.7Å; N106-I724 HydrophobicContact CB-CD1 4.44Å
107	K	80.6	Confident	83.8	Confident	113 Å²	113	86.9 Å²	86.9	49%	0.491	45%	0.447	S	S	.	.			trans	-72.2	130.4	177	-93.6	171.1	-180	166.8	0	110.9	F103 N104	F103-K107 PolarHBondContact O-N 3.33Å; N104-K107 PolarHBondContact O-N 3.27Å; N104-K107 WeakPolarHBondContact OD1-CE 3.46Å; N104-K107 PolarHBondContact OD1-NZ 3.1Å
108	P	86.6	Confident	83.9	Confident	59 Å²	59	79.5 Å²	79.5	38%	0.383	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-66.6	144.7	174	28.5	-34.2	0	0	0	110.9	L110 I724 P726	P108-L110 HydrophobicContact CB-CD2 4.45Å; P108-L110 HydrophobicContact CG-CD2 4.22Å; P108-L110 PolarHBondContact O-N 2.87Å; P108-I724 CarbonylContact C-O 3.2Å; P108-I724 WeakPolarHBondContact CA-O 3.48Å; P108-P726 HydrophobicContact CB-CB 4.09Å
109	C	86.5	Confident	84.3	Confident	23 Å²	23	81.7 Å²	81.7	16%	0.155	43%	0.429	C	S	.	.			trans	-68	109	171.5	177.3	0	0	0	0	109.7	C114 P723 I724 P726	C109-C114 HydrophobicContact CB-CB 3.55Å; C109-C114 WeakPolarHBondContact CB-SG 3.49Å; C109-C114 VanDerWaalsContact O-CB 3.25Å; C109-C114 WeakPolarHBondContact O-CB 3.38Å; C109-C114 WeakPolarHBondContact SG-CB 3.38Å; C109-C114 CovalentContact SG-SG 2.03Å; C109-C114 PolarHBondContact SG-SG 2.95Å; C109-P723 HydrophobicContact CB-CB 3.93Å; C109-I724 PolarHBondContact N-O 2.8Å; C109-P726 VanDerWaalsContact O-CD 3.31Å; C109-P726 WeakPolarHBondContact O-CD 3.48Å
110	L	89.9	Confident	84.7	Confident	122 Å²	122	80.8 Å²	80.8	64%	0.639	42%	0.419	S	S	*	.			trans	-97.3	15.9	178.9	-58.7	-177.4	0	0	0	113.1	P108 I115 P726	P108-L110 HydrophobicContact CB-CD2 4.45Å; P108-L110 HydrophobicContact CG-CD2 4.22Å; P108-L110 PolarHBondContact O-N 2.87Å; L110-I115 WeakPolarHBondContact O-CD1 3.25Å; L110-P726 HydrophobicContact CD2-CB 4.15Å
111	E	89	Confident	85.3	Confident	118 Å²	118	75.6 Å²	75.6	55%	0.551	40%	0.395	S	S	*	.	S	Bend	trans	-66.3	147.5	169.8	-64.2	-163.8	165.2	0	0	110.7	T113 C114 I115	E111-T113 PolarHBondContact O-N 3.13Å; E111-T113 VanDerWaalsContact O-N 3.12Å; E111-C114 PolarHBondContact O-N 2.96Å; E111-I115 PolarHBondContact O-N 3.36Å
112	P	90.2	Very high	86.2	Confident	110 Å²	110	76.1 Å²	76.1	71%	0.714	40%	0.398	S	S	*	.	H	α-helix	trans	-53.4	-36.4	-178.9	-28.3	35.6	0	0	0	113.9	I115 K116	P112-I115 PolarHBondContact O-N 3.09Å; P112-K116 WeakPolarHBondContact O-CB 3.38Å; P112-K116 PolarHBondContact O-N 2.94Å
113	T	87.5	Confident	87.2	Confident	43 Å²	43	74.2 Å²	74.2	26%	0.264	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-50.1	176.9	-48.1	0	0	0	0	111.6	E111 I115 K116 V117	E111-T113 PolarHBondContact O-N 3.13Å; E111-T113 VanDerWaalsContact O-N 3.12Å; T113-I115 PolarHBondContact O-N 3.1Å; T113-K116 PolarHBondContact O-N 3.28Å; T113-V117 HydrophobicContact CG2-CG2 4.49Å; T113-V117 WeakPolarHBondContact O-CB 3.38Å; T113-V117 VanDerWaalsContact O-CG2 3.3Å; T113-V117 WeakPolarHBondContact O-CG2 3.3Å; T113-V117 PolarHBondContact O-N 3.46Å
114	C	89.8	Confident	88.4	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.007	37%	0.365	C	S	.	.	H	α-helix	trans	-61.1	-42.8	177.5	-69.2	0	0	0	0	112.2	C109 E111 A118 L725	C109-C114 HydrophobicContact CB-CB 3.55Å; C109-C114 WeakPolarHBondContact CB-SG 3.49Å; C109-C114 VanDerWaalsContact O-CB 3.25Å; C109-C114 WeakPolarHBondContact O-CB 3.38Å; C109-C114 WeakPolarHBondContact SG-CB 3.38Å; C109-C114 CovalentContact SG-SG 2.03Å; C109-C114 PolarHBondContact SG-SG 2.95Å; E111-C114 PolarHBondContact O-N 2.96Å; C114-A118 VanDerWaalsContact O-CB 3.25Å; C114-A118 WeakPolarHBondContact O-CB 3.43Å; C114-A118 PolarHBondContact O-N 2.75Å; C114-L725 HydrophobicContact CB-CD2 3.99Å
115	I	92.9	Very high	89.8	Confident	83 Å²	83	65.7 Å²	65.7	43%	0.426	35%	0.348	S	S	.	.	H	α-helix	trans	-62.9	-45.8	177.6	-64.9	168.6	0	0	0	110.7	L110 E111 P112 T113 S119 P726	L110-I115 WeakPolarHBondContact O-CD1 3.25Å; E111-I115 PolarHBondContact O-N 3.36Å; P112-I115 PolarHBondContact O-N 3.09Å; T113-I115 PolarHBondContact O-N 3.1Å; I115-S119 WeakPolarHBondContact O-CB 3.46Å; I115-S119 PolarHBondContact O-N 2.92Å; I115-P726 HydrophobicContact CG1-CG 3.95Å
116	K	93.1	Very high	91.2	Very high	122 Å²	122	59.4 Å²	59.4	53%	0.53	32%	0.32	S	S	.	.	H	α-helix	trans	-61	-52.3	177.8	-179.9	-177.3	169.2	-173.2	0	111.3	P112 T113 A118 S119 E120	P112-K116 WeakPolarHBondContact O-CB 3.38Å; P112-K116 PolarHBondContact O-N 2.94Å; T113-K116 PolarHBondContact O-N 3.28Å; K116-A118 VanDerWaalsContact C-N 3.33Å; K116-A118 PolarHBondContact O-N 2.72Å; K116-S119 WeakPolarHBondContact O-CB 3.49Å; K116-S119 PolarHBondContact O-N 3.49Å; K116-E120 VanDerWaalsContact CE-CD 3.47Å; K116-E120 WeakPolarHBondContact CE-OE1 3.2Å; K116-E120 HydrophobicContact CG-CG 4.44Å; K116-E120 IonicContact NZ-OE1 2.89Å; K116-E120 WeakPolarHBondContact O-CG 3.47Å; K116-E120 PolarHBondContact O-N 3.35Å
117	V	92.8	Very high	92.3	Very high	13 Å²	13	59.9 Å²	59.9	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-60.7	-42.2	-178.5	169.3	0	0	0	0	111.3	T113 S119 E120 I121 Q622 L626 L725	T113-V117 HydrophobicContact CG2-CG2 4.49Å; T113-V117 WeakPolarHBondContact O-CB 3.38Å; T113-V117 VanDerWaalsContact O-CG2 3.3Å; T113-V117 WeakPolarHBondContact O-CG2 3.3Å; T113-V117 PolarHBondContact O-N 3.46Å; V117-S119 PolarHBondContact O-N 2.67Å; V117-E120 PolarHBondContact O-N 2.83Å; V117-I121 HydrophobicContact CG1-CD1 3.86Å; V117-I121 VanDerWaalsContact O-CG1 3.32Å; V117-I121 WeakPolarHBondContact O-CG1 3.32Å; V117-I121 PolarHBondContact O-N 2.61Å; V117-Q622 HydrophobicContact CG2-CB 4.38Å; V117-L626 HydrophobicContact CG1-CD1 3.35Å; V117-L725 HydrophobicContact CG1-CD1 4.13Å; V117-L725 HydrophobicContact CG1-CD2 4.49Å
118	A	94.3	Very high	93.1	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-63	-41.8	176.5	0	0	0	0	0	112.7	C114 K116 L122 L725 P726 L728	C114-A118 VanDerWaalsContact O-CB 3.25Å; C114-A118 WeakPolarHBondContact O-CB 3.43Å; C114-A118 PolarHBondContact O-N 2.75Å; K116-A118 VanDerWaalsContact C-N 3.33Å; K116-A118 PolarHBondContact O-N 2.72Å; A118-L122 WeakPolarHBondContact O-CB 3.39Å; A118-L122 WeakPolarHBondContact O-CG 3.48Å; A118-L122 PolarHBondContact O-N 3.48Å; A118-L725 HydrophobicContact CB-CB 4.02Å; A118-P726 HydrophobicContact CB-CG 4.14Å; A118-P726 VanDerWaalsContact CB-O 3.27Å; A118-P726 WeakPolarHBondContact CB-O 3.39Å; A118-L728 HydrophobicContact CB-CD1 4.04Å; A118-L728 HydrophobicContact CB-CG 4.37Å
119	S	95.1	Very high	93.7	Very high	74 Å²	74	58.2 Å²	58.2	52%	0.517	33%	0.329	S	S	.	.	H	α-helix	trans	-64.8	-44.2	176.1	-170.8	0	0	0	0	112	I115 K116 V117 L122 S123	I115-S119 WeakPolarHBondContact O-CB 3.46Å; I115-S119 PolarHBondContact O-N 2.92Å; K116-S119 WeakPolarHBondContact O-CB 3.49Å; K116-S119 PolarHBondContact O-N 3.49Å; V117-S119 PolarHBondContact O-N 2.67Å; S119-L122 PolarHBondContact O-N 2.93Å; S119-S123 WeakPolarHBondContact O-CB 3.49Å; S119-S123 PolarHBondContact O-N 3.36Å; S119-S123 PolarHBondContact O-OG 3.27Å
120	E	94.2	Very high	94.2	Very high	73 Å²	73	59.1 Å²	59.1	34%	0.341	34%	0.335	S	S	.	.	H	α-helix	trans	-60.9	-49.6	177.1	-74.4	177.2	159.4	0	0	110.5	K116 V117 L122 S123 N124	K116-E120 VanDerWaalsContact CE-CD 3.47Å; K116-E120 WeakPolarHBondContact CE-OE1 3.2Å; K116-E120 HydrophobicContact CG-CG 4.44Å; K116-E120 IonicContact NZ-OE1 2.89Å; K116-E120 WeakPolarHBondContact O-CG 3.47Å; K116-E120 PolarHBondContact O-N 3.35Å; V117-E120 PolarHBondContact O-N 2.83Å; E120-L122 PolarHBondContact O-N 3.3Å; E120-S123 WeakPolarHBondContact CA-OG 3.43Å; E120-S123 PolarHBondContact O-N 3.31Å; E120-S123 VanDerWaalsContact O-N 3.16Å; E120-S123 PolarHBondContact O-OG 3.48Å; E120-N124 PolarHBondContact O-N 2.83Å; E120-N124 PolarHBondContact O-ND2 3Å; E120-N124 PolarHBondContact O-OD1 2.73Å
121	I	96.1	Very high	94.6	Very high	8 Å²	8	54.4 Å²	54.4	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-55.6	-51.2	176.2	-70.7	167.4	0	0	0	111.4	V117 S123 N124 M125 L626 L725 L728 L735 I738 Q742	V117-I121 HydrophobicContact CG1-CD1 3.86Å; V117-I121 VanDerWaalsContact O-CG1 3.32Å; V117-I121 WeakPolarHBondContact O-CG1 3.32Å; V117-I121 PolarHBondContact O-N 2.61Å; I121-S123 VanDerWaalsContact C-N 3.31Å; I121-S123 PolarHBondContact O-N 3.28Å; I121-N124 PolarHBondContact O-N 3.46Å; I121-M125 HydrophobicContact CG2-SD 3.81Å; I121-M125 VanDerWaalsContact O-CG 3.26Å; I121-M125 WeakPolarHBondContact O-CG 3.49Å; I121-M125 PolarHBondContact O-N 2.65Å; I121-L626 HydrophobicContact CD1-CD1 3.68Å; I121-L626 HydrophobicContact CD1-CD2 3.86Å; I121-L626 HydrophobicContact CD1-CG 4.43Å; I121-L725 HydrophobicContact CD1-CD1 3.99Å; I121-L728 HydrophobicContact CB-CD1 4.12Å; I121-L728 HydrophobicContact CD1-CD1 4.22Å; I121-L728 HydrophobicContact CG2-CD1 3.91Å; I121-L728 HydrophobicContact CG2-CD2 4.27Å; I121-L735 HydrophobicContact CD1-CD2 4.33Å; I121-I738 HydrophobicContact CG2-CG2 3.94Å; I121-Q742 PolarHBondContact O-NE2 2.81Å
122	L	95.7	Very high	95.1	Very high	88 Å²	88	49.2 Å²	49.2	46%	0.461	29%	0.289	S	S	.	.	H	α-helix	trans	-58.4	-41.6	178	-81.3	171.7	0	0	0	112.5	A118 S119 E120 N124 L728	A118-L122 WeakPolarHBondContact O-CB 3.39Å; A118-L122 WeakPolarHBondContact O-CG 3.48Å; A118-L122 PolarHBondContact O-N 3.48Å; S119-L122 PolarHBondContact O-N 2.93Å; E120-L122 PolarHBondContact O-N 3.3Å; L122-N124 VanDerWaalsContact C-N 3.3Å; L122-N124 PolarHBondContact O-N 2.88Å; L122-L728 HydrophobicContact CD1-CD2 4.24Å; L122-L728 HydrophobicContact CD2-CD2 3.51Å; L122-L728 HydrophobicContact CG-CD2 3.53Å; L122-L728 HydrophobicContact CG-CG 4.24Å
123	S	96.5	Very high	95.5	Very high	38 Å²	38	48.3 Å²	48.3	27%	0.266	28%	0.278	S	S	.	.	H	α-helix	trans	-69.2	-28.4	-178.7	71.7	0	0	0	0	113.2	S119 E120 I121 G142 Q146	S119-S123 WeakPolarHBondContact O-CB 3.49Å; S119-S123 PolarHBondContact O-N 3.36Å; S119-S123 PolarHBondContact O-OG 3.27Å; E120-S123 WeakPolarHBondContact CA-OG 3.43Å; E120-S123 PolarHBondContact O-N 3.31Å; E120-S123 VanDerWaalsContact O-N 3.16Å; E120-S123 PolarHBondContact O-OG 3.48Å; I121-S123 VanDerWaalsContact C-N 3.31Å; I121-S123 PolarHBondContact O-N 3.28Å; S123-G142 CarbonylContact O-C 3.39Å; S123-G142 WeakPolarHBondContact O-CA 3.4Å; S123-Q146 PolarHBondContact O-NE2 3.37Å
124	N	97.8	Very high	96	Very high	20 Å²	20	48.7 Å²	48.7	11%	0.107	28%	0.279	C	S	.	.	H	α-helix	trans	-78.9	-27.5	-176.6	-67.1	-15.8	0	0	0	113	E120 I121 L122 S139 C140 G142 W143 Q742	E120-N124 PolarHBondContact O-N 2.83Å; E120-N124 PolarHBondContact O-ND2 3Å; E120-N124 PolarHBondContact O-OD1 2.73Å; I121-N124 PolarHBondContact O-N 3.46Å; L122-N124 VanDerWaalsContact C-N 3.3Å; L122-N124 PolarHBondContact O-N 2.88Å; N124-S139 CarbonylContact C-O 3.55Å; N124-S139 CarbonylContact O-C 3.2Å; N124-S139 VanDerWaalsContact O-O 3.09Å; N124-C140 CarbonylContact O-C 3.38Å; N124-C140 WeakPolarHBondContact O-CA 3.42Å; N124-G142 CarbonylContact O-C 3.47Å; N124-G142 WeakPolarHBondContact O-CA 3.26Å; N124-G142 PolarHBondContact O-N 3.14Å; N124-W143 HydrophobicContact CB-CB 4.11Å; N124-W143 PolarHBondContact O-N 3.1Å; N124-W143 VanDerWaalsContact OD1-CD1 3.28Å; N124-Q742 HydrophobicContact CB-CG 4.27Å; N124-Q742 PolarHBondContact ND2-OE1 2.93Å
125	M	97.6	Very high	96.4	Very high	16 Å²	16	48.7 Å²	48.7	8%	0.079	28%	0.278	C	S	.	.			trans	-81.4	162.6	-171.9	-66.1	175.7	78.8	0	0	114	I121 Y138 F730 I738	I121-M125 HydrophobicContact CG2-SD 3.81Å; I121-M125 VanDerWaalsContact O-CG 3.26Å; I121-M125 WeakPolarHBondContact O-CG 3.49Å; I121-M125 PolarHBondContact O-N 2.65Å; M125-Y138 CarbonylContact C-O 3.52Å; M125-Y138 VanDerWaalsContact CA-O 3.25Å; M125-Y138 WeakPolarHBondContact CA-O 3.21Å; M125-Y138 WeakPolarHBondContact CB-O 3.27Å; M125-Y138 HydrophobicContact CE-CD1 3.92Å; M125-Y138 HydrophobicContact CE-CE1 3.2Å; M125-Y138 HydrophobicContact CE-CE2 3.95Å; M125-Y138 WeakPolarHBondContact CE-OH 3.38Å; M125-F730 HydrophobicContact CE-CE2 3.81Å; M125-F730 HydrophobicContact CE-CZ 3.56Å; M125-F730 HydrophobicContact SD-CE2 3.77Å; M125-F730 HydrophobicContact SD-CZ 4.12Å; M125-I738 HydrophobicContact CE-CD1 3.8Å; M125-I738 HydrophobicContact CE-CG1 4.24Å; M125-I738 HydrophobicContact CE-CG2 4.49Å; M125-I738 HydrophobicContact SD-CD1 4.32Å; M125-I738 HydrophobicContact SD-CG2 4.09Å
126	D	98	Very high	96.7	Very high	20 Å²	20	45.4 Å²	45.4	11%	0.107	26%	0.261	C	S	.	.			trans	-132.4	91.2	169	-173.1	-6.3	0	0	0	109.8	S128 V129 Y138 N141 K145	D126-S128 PolarHBondContact O-N 2.91Å; D126-S128 VanDerWaalsContact O-N 3.09Å; D126-S128 WeakPolarHBondContact OD1-CB 3.32Å; D126-S128 PolarHBondContact OD1-N 3.3Å; D126-S128 PolarHBondContact OD1-OG 3.46Å; D126-V129 PolarHBondContact O-N 3.18Å; D126-V129 VanDerWaalsContact O-N 3.09Å; D126-Y138 PolarHBondContact N-O 3.49Å; D126-N141 HydrophobicContact CB-CB 3.45Å; D126-N141 VanDerWaalsContact CB-CB 3.45Å; D126-N141 WeakPolarHBondContact OD2-CB 3.42Å; D126-N141 PolarHBondContact OD2-ND2 3.43Å; D126-K145 IonicContact OD1-NZ 3.37Å; D126-K145 IonicContact OD2-NZ 3.41Å; D126-K145 PolarHBondContact OD2-NZ 2.92Å
127	T	95	Very high	97	Very high	113 Å²	113	40 Å²	40	69%	0.693	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	1.2	-177.3	54.7	0	0	0	0	114.1	V129 Y138	T127-V129 VanDerWaalsContact C-N 3.32Å; T127-Y138 HydrophobicContact CG2-CE2 4.34Å
128	S	97.4	Very high	97.3	Very high	102 Å²	102	40.3 Å²	40.3	71%	0.713	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-17.3	167.7	73.7	0	0	0	0	113.1	D126	D126-S128 PolarHBondContact O-N 2.91Å; D126-S128 VanDerWaalsContact O-N 3.09Å; D126-S128 WeakPolarHBondContact OD1-CB 3.32Å; D126-S128 PolarHBondContact OD1-N 3.3Å; D126-S128 PolarHBondContact OD1-OG 3.46Å
129	V	98.3	Very high	97.5	Very high	34 Å²	34	40.2 Å²	40.2	21%	0.206	24%	0.239	C	C	.	.	S	Bend	trans	-94.4	142.6	174.3	-176.2	0	0	0	0	109.5	D126 T127 D134 A137 Y138	D126-V129 PolarHBondContact O-N 3.18Å; D126-V129 VanDerWaalsContact O-N 3.09Å; T127-V129 VanDerWaalsContact C-N 3.32Å; V129-D134 HydrophobicContact CG1-CB 4.25Å; V129-D134 WeakPolarHBondContact CG1-O 3.45Å; V129-A137 HydrophobicContact CG1-CB 4.04Å; V129-A137 HydrophobicContact CG2-CB 4.27Å; V129-Y138 WeakPolarHBondContact O-CD2 3.44Å
130	S	98.1	Very high	97.6	Very high	42 Å²	42	36.7 Å²	36.7	29%	0.294	21%	0.214	S	C	.	.			trans	-76.6	131.9	172.7	170.6	0	0	0	0	110.6	C132 D133 D134	S130-C132 PolarHBondContact O-N 2.93Å; S130-C132 PolarHBondContact OG-N 3.34Å; S130-D133 WeakPolarHBondContact CB-OD2 3.32Å; S130-D133 PolarHBondContact O-N 3.27Å; S130-D133 VanDerWaalsContact O-N 3.09Å; S130-D134 PolarHBondContact O-N 3.15Å
131	P	98.4	Very high	97.8	Very high	24 Å²	24	35.3 Å²	35.3	16%	0.156	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.2	174	25.6	-34.1	0	0	0	113.1	F135 Y138 F783 M791	P131-F135 HydrophobicContact CB-CD2 3.61Å; P131-F135 HydrophobicContact CB-CE2 3.95Å; P131-Y138 HydrophobicContact CB-CD1 3.75Å; P131-Y138 HydrophobicContact CB-CD2 4.42Å; P131-Y138 HydrophobicContact CB-CE1 3.85Å; P131-Y138 HydrophobicContact CB-CG 4.02Å; P131-Y138 HydrophobicContact CG-CE1 4.43Å; P131-Y138 HydrophobicContact CG-CE2 4.47Å; P131-F783 HydrophobicContact CB-CD1 3.67Å; P131-F783 HydrophobicContact CB-CE1 4.15Å; P131-F783 HydrophobicContact CB-CG 4.22Å; P131-F783 HydrophobicContact CG-CD1 3.73Å; P131-F783 HydrophobicContact CG-CE1 4.44Å; P131-F783 HydrophobicContact CG-CG 4.44Å; P131-M791 WeakPolarHBondContact O-CG 3.4Å
132	C	98.6	Very high	97.9	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.061	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-6.1	-179.7	-60.6	0	0	0	0	114.2	S130 C785 S789 M791	S130-C132 PolarHBondContact O-N 2.93Å; S130-C132 PolarHBondContact OG-N 3.34Å; C132-C785 WeakPolarHBondContact CA-SG 3.46Å; C132-C785 HydrophobicContact CB-CB 3.61Å; C132-C785 WeakPolarHBondContact CB-SG 3.05Å; C132-C785 WeakPolarHBondContact SG-CA 3.26Å; C132-C785 WeakPolarHBondContact SG-CB 3.49Å; C132-C785 CovalentContact SG-SG 2.04Å; C132-C785 PolarHBondContact SG-SG 2.6Å; C132-S789 WeakPolarHBondContact O-CB 3.45Å; C132-S789 PolarHBondContact O-OG 3.24Å; C132-M791 VanDerWaalsContact C-CG 3.45Å; C132-M791 WeakPolarHBondContact O-CB 3.09Å; C132-M791 WeakPolarHBondContact O-CG 3.41Å; C132-M791 PolarHBondContact O-N 3.32Å
133	D	98.2	Very high	98	Very high	90 Å²	90	31.4 Å²	31.4	48%	0.481	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-47.4	179.5	-60.5	-15.3	0	0	0	111.1	S130 S790 M791	S130-D133 WeakPolarHBondContact CB-OD2 3.32Å; S130-D133 PolarHBondContact O-N 3.27Å; S130-D133 VanDerWaalsContact O-N 3.09Å; D133-S790 WeakPolarHBondContact O-CB 3.48Å; D133-M791 WeakPolarHBondContact O-CE 3.37Å
134	D	98.4	Very high	98.1	Very high	52 Å²	52	31.3 Å²	31.3	28%	0.278	19%	0.186	S	C	.	.			trans	-152	101.2	170.3	-176.7	-18.1	0	0	0	109.7	V129 S130 F136 A137 Y138	V129-D134 HydrophobicContact CG1-CB 4.25Å; V129-D134 WeakPolarHBondContact CG1-O 3.45Å; S130-D134 PolarHBondContact O-N 3.15Å; D134-F136 WeakPolarHBondContact OD1-CB 3.49Å; D134-F136 PolarHBondContact OD1-N 3.35Å; D134-A137 HydrophobicContact CB-CB 3.9Å; D134-A137 PolarHBondContact OD1-N 3.01Å; D134-A137 WeakPolarHBondContact OD2-CB 3.32Å; D134-Y138 WeakPolarHBondContact O-CB 3.41Å; D134-Y138 PolarHBondContact O-N 3.38Å
135	F	98.7	Very high	98.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-74.6	-24.7	-178.3	-165.3	-115.3	0	0	0	113.6	P131 Y138 S139 F737 I738 A741 V769 I773 F779 F783 M791	P131-F135 HydrophobicContact CB-CD2 3.61Å; P131-F135 HydrophobicContact CB-CE2 3.95Å; F135-Y138 AromaticContact CD2-CD1 3.73Å; F135-Y138 HydrophobicContact CD2-CD1 3.73Å; F135-Y138 HydrophobicContact CD2-CE1 4.39Å; F135-Y138 AromaticContact CE2-CD1 3.63Å; F135-Y138 HydrophobicContact CE2-CD1 3.63Å; F135-Y138 AromaticContact CE2-CE1 3.9Å; F135-Y138 HydrophobicContact CE2-CE1 3.9Å; F135-S139 WeakPolarHBondContact O-CB 3.41Å; F135-S139 PolarHBondContact O-N 3.49Å; F135-S139 PolarHBondContact O-OG 2.83Å; F135-F737 HydrophobicContact CE1-CB 3.99Å; F135-F737 WeakPolarHBondContact CE1-O 3.5Å; F135-F737 HydrophobicContact CZ-CB 3.86Å; F135-I738 HydrophobicContact CE2-CG1 4.46Å; F135-I738 HydrophobicContact CZ-CG1 3.98Å; F135-A741 HydrophobicContact CD1-CB 3.83Å; F135-A741 HydrophobicContact CE1-CB 3.6Å; F135-V769 HydrophobicContact CD1-CG1 4.07Å; F135-I773 HydrophobicContact CB-CD1 3.16Å; F135-I773 HydrophobicContact CD1-CD1 3.69Å; F135-I773 HydrophobicContact CD1-CG2 4.36Å; F135-I773 HydrophobicContact CG-CD1 3.71Å; F135-F779 HydrophobicContact CB-CE2 4.47Å; F135-F779 HydrophobicContact CB-CZ 4.07Å; F135-F779 AromaticContact CD1-CE2 3.83Å; F135-F779 HydrophobicContact CD1-CE2 3.83Å; F135-F779 HydrophobicContact CD1-CZ 4.28Å; F135-F779 AromaticContact CD2-CE2 3.6Å; F135-F779 HydrophobicContact CD2-CE2 3.6Å; F135-F779 AromaticContact CD2-CZ 3.66Å; F135-F779 HydrophobicContact CD2-CZ 3.66Å; F135-F779 AromaticContact CE1-CE2 3.85Å; F135-F779 HydrophobicContact CE1-CE2 3.85Å; F135-F779 AromaticContact CE2-CE2 3.65Å; F135-F779 HydrophobicContact CE2-CE2 3.65Å; F135-F779 HydrophobicContact CE2-CZ 4.15Å; F135-F779 AromaticContact CG-CE2 3.7Å; F135-F779 HydrophobicContact CG-CE2 3.7Å; F135-F779 AromaticContact CG-CZ 3.74Å; F135-F779 HydrophobicContact CG-CZ 3.74Å; F135-F779 AromaticContact CZ-CE2 3.78Å; F135-F779 HydrophobicContact CZ-CE2 3.78Å; F135-F783 HydrophobicContact CE2-CD1 4.41Å; F135-F783 HydrophobicContact CE2-CD2 4.36Å; F135-F783 AromaticContact CE2-CE1 3.87Å; F135-F783 HydrophobicContact CE2-CE1 3.87Å; F135-F783 AromaticContact CE2-CE2 3.83Å; F135-F783 HydrophobicContact CE2-CE2 3.83Å; F135-F783 AromaticContact CE2-CZ 3.56Å; F135-F783 HydrophobicContact CE2-CZ 3.56Å; F135-F783 AromaticContact CZ-CE2 3.92Å; F135-F783 HydrophobicContact CZ-CE2 3.92Å; F135-F783 AromaticContact CZ-CZ 3.79Å; F135-F783 HydrophobicContact CZ-CZ 3.79Å; F135-M791 HydrophobicContact CB-CG 4.43Å; F135-M791 HydrophobicContact CB-SD 4.17Å
136	F	98.7	Very high	98	Very high	15 Å²	15	41.9 Å²	41.9	7%	0.066	23%	0.232	C	C	.	.	H	α-helix	trans	-69.4	-49.8	174.8	176.5	-95.7	0	0	0	109.3	D134 Y138 S139 C140 I144 W744 I746 P766 V769 I770	D134-F136 WeakPolarHBondContact OD1-CB 3.49Å; D134-F136 PolarHBondContact OD1-N 3.35Å; F136-Y138 PolarHBondContact O-N 2.86Å; F136-S139 PolarHBondContact O-N 2.89Å; F136-S139 VanDerWaalsContact O-N 3.16Å; F136-C140 HydrophobicContact CD2-CB 4.47Å; F136-C140 HydrophobicContact CE1-CB 4.39Å; F136-C140 HydrophobicContact CE2-CB 4.18Å; F136-C140 HydrophobicContact CZ-CB 4.14Å; F136-C140 VanDerWaalsContact O-CB 3.29Å; F136-C140 WeakPolarHBondContact O-CB 3.29Å; F136-C140 PolarHBondContact O-N 3.1Å; F136-I144 HydrophobicContact CE1-CD1 3.79Å; F136-I144 HydrophobicContact CZ-CD1 4.06Å; F136-W744 WeakPolarHBondContact CE2-O 3.36Å; F136-I746 HydrophobicContact CZ-CG2 4.45Å; F136-P766 HydrophobicContact CD1-CB 3.84Å; F136-P766 HydrophobicContact CD1-CG 4.17Å; F136-P766 HydrophobicContact CD2-CB 4.26Å; F136-P766 HydrophobicContact CE1-CB 3.98Å; F136-P766 HydrophobicContact CE1-CG 3.77Å; F136-P766 HydrophobicContact CE2-CB 4.37Å; F136-P766 HydrophobicContact CE2-CG 4.25Å; F136-P766 HydrophobicContact CG-CB 3.99Å; F136-P766 HydrophobicContact CZ-CB 4.24Å; F136-P766 HydrophobicContact CZ-CG 3.81Å; F136-V769 HydrophobicContact CB-CB 4.28Å; F136-V769 HydrophobicContact CB-CG1 4.18Å; F136-V769 HydrophobicContact CD2-CB 4.15Å; F136-V769 HydrophobicContact CD2-CG2 3.94Å; F136-I770 HydrophobicContact CB-CD1 4.26Å; F136-I770 HydrophobicContact CB-CG1 4.24Å
137	A	98.5	Very high	97.9	Very high	9 Å²	9	42.4 Å²	42.4	7%	0.074	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-47.8	173.8	0	0	0	0	0	111.6	V129 D134 S139 N141	V129-A137 HydrophobicContact CG1-CB 4.04Å; V129-A137 HydrophobicContact CG2-CB 4.27Å; D134-A137 HydrophobicContact CB-CB 3.9Å; D134-A137 PolarHBondContact OD1-N 3.01Å; D134-A137 WeakPolarHBondContact OD2-CB 3.32Å; A137-S139 VanDerWaalsContact C-N 3.29Å; A137-S139 PolarHBondContact O-N 3.1Å; A137-N141 WeakPolarHBondContact O-CB 2.89Å; A137-N141 VanDerWaalsContact O-CG 3.3Å; A137-N141 PolarHBondContact O-N 3.1Å
138	Y	98.7	Very high	97.9	Very high	18 Å²	18	45.2 Å²	45.2	7%	0.071	23%	0.234	C	C	.	.	H	α-helix	trans	-55	-40.7	174.2	174.8	-107.7	0	0	0	113.5	M125 D126 T127 V129 P131 D134 F135 F136 F730 I738 F783	M125-Y138 CarbonylContact C-O 3.52Å; M125-Y138 VanDerWaalsContact CA-O 3.25Å; M125-Y138 WeakPolarHBondContact CA-O 3.21Å; M125-Y138 WeakPolarHBondContact CB-O 3.27Å; M125-Y138 HydrophobicContact CE-CD1 3.92Å; M125-Y138 HydrophobicContact CE-CE1 3.2Å; M125-Y138 HydrophobicContact CE-CE2 3.95Å; M125-Y138 WeakPolarHBondContact CE-OH 3.38Å; D126-Y138 PolarHBondContact N-O 3.49Å; T127-Y138 HydrophobicContact CG2-CE2 4.34Å; V129-Y138 WeakPolarHBondContact O-CD2 3.44Å; P131-Y138 HydrophobicContact CB-CD1 3.75Å; P131-Y138 HydrophobicContact CB-CD2 4.42Å; P131-Y138 HydrophobicContact CB-CE1 3.85Å; P131-Y138 HydrophobicContact CB-CG 4.02Å; P131-Y138 HydrophobicContact CG-CE1 4.43Å; P131-Y138 HydrophobicContact CG-CE2 4.47Å; D134-Y138 WeakPolarHBondContact O-CB 3.41Å; D134-Y138 PolarHBondContact O-N 3.38Å; F135-Y138 AromaticContact CD2-CD1 3.73Å; F135-Y138 HydrophobicContact CD2-CD1 3.73Å; F135-Y138 HydrophobicContact CD2-CE1 4.39Å; F135-Y138 AromaticContact CE2-CD1 3.63Å; F135-Y138 HydrophobicContact CE2-CD1 3.63Å; F135-Y138 AromaticContact CE2-CE1 3.9Å; F135-Y138 HydrophobicContact CE2-CE1 3.9Å; F136-Y138 PolarHBondContact O-N 2.86Å; Y138-F730 WeakPolarHBondContact OH-CE1 3.01Å; Y138-F730 WeakPolarHBondContact OH-CZ 3.28Å; Y138-I738 HydrophobicContact CE1-CG1 4.49Å; Y138-F783 HydrophobicContact CE1-CE1 4.27Å
139	S	98.6	Very high	97.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-87	-27.7	-174.2	-57.4	0	0	0	0	114.1	N124 F135 F136 A137 A741 Q742	N124-S139 CarbonylContact C-O 3.55Å; N124-S139 CarbonylContact O-C 3.2Å; N124-S139 VanDerWaalsContact O-O 3.09Å; F135-S139 WeakPolarHBondContact O-CB 3.41Å; F135-S139 PolarHBondContact O-N 3.49Å; F135-S139 PolarHBondContact O-OG 2.83Å; F136-S139 PolarHBondContact O-N 2.89Å; F136-S139 VanDerWaalsContact O-N 3.16Å; A137-S139 VanDerWaalsContact C-N 3.29Å; A137-S139 PolarHBondContact O-N 3.1Å; S139-A741 WeakPolarHBondContact OG-CB 3.44Å; S139-Q742 WeakPolarHBondContact O-CG 3.31Å; S139-Q742 PolarHBondContact O-NE2 3.44Å
140	C	98.7	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-125.5	-13.6	-166.2	-70.7	0	0	0	0	116.4	N124 F136 G142 W143 I144 A741 C745	N124-C140 CarbonylContact O-C 3.38Å; N124-C140 WeakPolarHBondContact O-CA 3.42Å; F136-C140 HydrophobicContact CD2-CB 4.47Å; F136-C140 HydrophobicContact CE1-CB 4.39Å; F136-C140 HydrophobicContact CE2-CB 4.18Å; F136-C140 HydrophobicContact CZ-CB 4.14Å; F136-C140 VanDerWaalsContact O-CB 3.29Å; F136-C140 WeakPolarHBondContact O-CB 3.29Å; F136-C140 PolarHBondContact O-N 3.1Å; C140-G142 PolarHBondContact O-N 3.07Å; C140-W143 WeakPolarHBondContact O-CA 3.29Å; C140-W143 WeakPolarHBondContact O-CB 3.22Å; C140-W143 PolarHBondContact O-N 2.75Å; C140-I144 HydrophobicContact CB-CD1 4.15Å; C140-I144 WeakPolarHBondContact O-CG1 3.45Å; C140-I144 PolarHBondContact O-N 3.31Å; C140-A741 PolarHBondContact SG-O 2.81Å; C140-C745 WeakPolarHBondContact CA-SG 3.46Å; C140-C745 HydrophobicContact CB-CB 3.75Å; C140-C745 WeakPolarHBondContact CB-SG 3.32Å; C140-C745 WeakPolarHBondContact SG-CA 3.47Å; C140-C745 WeakPolarHBondContact SG-CB 3.5Å; C140-C745 CovalentContact SG-SG 2.04Å; C140-C745 PolarHBondContact SG-SG 3.26Å
141	N	98.4	Very high	97.1	Very high	43 Å²	43	46.8 Å²	46.8	23%	0.23	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-31.2	-176.3	-87.3	-6	0	0	0	113.1	D126 A137 I144 K145	D126-N141 HydrophobicContact CB-CB 3.45Å; D126-N141 VanDerWaalsContact CB-CB 3.45Å; D126-N141 WeakPolarHBondContact OD2-CB 3.42Å; D126-N141 PolarHBondContact OD2-ND2 3.43Å; A137-N141 WeakPolarHBondContact O-CB 2.89Å; A137-N141 VanDerWaalsContact O-CG 3.3Å; A137-N141 PolarHBondContact O-N 3.1Å; N141-I144 PolarHBondContact O-N 3.24Å; N141-K145 WeakPolarHBondContact O-CB 3.31Å; N141-K145 WeakPolarHBondContact O-CD 3.42Å; N141-K145 WeakPolarHBondContact O-CG 3.26Å; N141-K145 PolarHBondContact O-N 2.88Å
142	G	98.3	Very high	96.7	Very high	6 Å²	6	46.1 Å²	46.1	6%	0.062	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-45.9	172	0	0	0	0	0	111.7	S123 N124 C140 I144 K145 Q146	S123-G142 CarbonylContact O-C 3.39Å; S123-G142 WeakPolarHBondContact O-CA 3.4Å; N124-G142 CarbonylContact O-C 3.47Å; N124-G142 WeakPolarHBondContact O-CA 3.26Å; N124-G142 PolarHBondContact O-N 3.14Å; C140-G142 PolarHBondContact O-N 3.07Å; G142-I144 PolarHBondContact O-N 3.07Å; G142-K145 PolarHBondContact O-N 3.09Å; G142-Q146 WeakPolarHBondContact O-CB 3.33Å; G142-Q146 WeakPolarHBondContact O-CG 3.48Å; G142-Q146 PolarHBondContact O-N 2.69Å; G142-Q146 PolarHBondContact O-NE2 2.64Å
143	W	97.9	Very high	96.4	Very high	8 Å²	8	46.2 Å²	46.2	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-46.4	175.3	-170.2	100.9	0	0	0	111.3	N124 C140 K145 Q146 N147 W156 V158 C745 K747	N124-W143 HydrophobicContact CB-CB 4.11Å; N124-W143 PolarHBondContact O-N 3.1Å; N124-W143 VanDerWaalsContact OD1-CD1 3.28Å; C140-W143 WeakPolarHBondContact O-CA 3.29Å; C140-W143 WeakPolarHBondContact O-CB 3.22Å; C140-W143 PolarHBondContact O-N 2.75Å; W143-K145 VanDerWaalsContact C-N 3.32Å; W143-K145 PolarHBondContact O-N 3.38Å; W143-Q146 PolarHBondContact O-N 2.73Å; W143-N147 HydrophobicContact CD2-CB 4.28Å; W143-N147 VanDerWaalsContact CD2-ND2 3.35Å; W143-N147 VanDerWaalsContact CE2-ND2 3.33Å; W143-N147 HydrophobicContact CE3-CB 4.1Å; W143-N147 HydrophobicContact CH2-CB 3.91Å; W143-N147 HydrophobicContact CZ2-CB 4.14Å; W143-N147 HydrophobicContact CZ3-CB 3.9Å; W143-N147 WeakPolarHBondContact O-CB 3.35Å; W143-N147 PolarHBondContact O-N 2.93Å; W143-N147 PolarHBondContact O-ND2 3.34Å; W143-W156 HydrophobicContact CH2-CB 4.48Å; W143-W156 AromaticContact CH2-CD1 3.67Å; W143-W156 HydrophobicContact CH2-CG 4.34Å; W143-W156 WeakPolarHBondContact CH2-O 3.32Å; W143-W156 WeakPolarHBondContact CZ3-O 3.4Å; W143-V158 HydrophobicContact CZ2-CG2 4.2Å; W143-C745 HydrophobicContact CB-CB 4.12Å; W143-C745 HydrophobicContact CD2-CB 3.81Å; W143-C745 HydrophobicContact CE3-CB 3.99Å; W143-C745 HydrophobicContact CG-CB 3.85Å; W143-K747 HydrophobicContact CZ3-CB 4.22Å
144	I	97.8	Very high	96.2	Very high	37 Å²	37	43.3 Å²	43.3	19%	0.19	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-33.7	-179.2	-65	166.2	0	0	0	111.9	F136 C140 N141 G142 I746 K747	F136-I144 HydrophobicContact CE1-CD1 3.79Å; F136-I144 HydrophobicContact CZ-CD1 4.06Å; C140-I144 HydrophobicContact CB-CD1 4.15Å; C140-I144 WeakPolarHBondContact O-CG1 3.45Å; C140-I144 PolarHBondContact O-N 3.31Å; N141-I144 PolarHBondContact O-N 3.24Å; G142-I144 PolarHBondContact O-N 3.07Å; I144-I746 WeakPolarHBondContact CG1-O 3.39Å; I144-K747 HydrophobicContact CG2-CD 4.36Å; I144-K747 HydrophobicContact CG2-CG 4.42Å; I144-K747 PolarHBondContact O-NZ 2.91Å
145	K	97.1	Very high	96.1	Very high	136 Å²	136	41.9 Å²	41.9	59%	0.591	20%	0.202	S	C	*	.	H	α-helix	trans	-70.8	-40	174.2	-72.3	164.6	-164.8	173.9	0	111.8	D126 N141 G142 W143	D126-K145 IonicContact OD1-NZ 3.37Å; D126-K145 IonicContact OD2-NZ 3.41Å; D126-K145 PolarHBondContact OD2-NZ 2.92Å; N141-K145 WeakPolarHBondContact O-CB 3.31Å; N141-K145 WeakPolarHBondContact O-CD 3.42Å; N141-K145 WeakPolarHBondContact O-CG 3.26Å; N141-K145 PolarHBondContact O-N 2.88Å; G142-K145 PolarHBondContact O-N 3.09Å; W143-K145 VanDerWaalsContact C-N 3.32Å; W143-K145 PolarHBondContact O-N 3.38Å
146	Q	96	Very high	96	Very high	121 Å²	121	43.2 Å²	43.2	57%	0.565	21%	0.207	S	C	*	.	H	α-helix	trans	-81.8	-29	-175.8	-70.4	168	36.5	0	0	114.1	S123 G142 W143	S123-Q146 PolarHBondContact O-NE2 3.37Å; G142-Q146 WeakPolarHBondContact O-CB 3.33Å; G142-Q146 WeakPolarHBondContact O-CG 3.48Å; G142-Q146 PolarHBondContact O-N 2.69Å; G142-Q146 PolarHBondContact O-NE2 2.64Å; W143-Q146 PolarHBondContact O-N 2.73Å
147	N	96.1	Very high	95.9	Very high	32 Å²	32	43.2 Å²	43.2	17%	0.171	21%	0.209	C	C	.	.			trans	-94.4	144.8	-179	-69.1	-94.5	0	0	0	111.6	W143 K747	W143-N147 HydrophobicContact CD2-CB 4.28Å; W143-N147 VanDerWaalsContact CD2-ND2 3.35Å; W143-N147 VanDerWaalsContact CE2-ND2 3.33Å; W143-N147 HydrophobicContact CE3-CB 4.1Å; W143-N147 HydrophobicContact CH2-CB 3.91Å; W143-N147 HydrophobicContact CZ2-CB 4.14Å; W143-N147 HydrophobicContact CZ3-CB 3.9Å; W143-N147 WeakPolarHBondContact O-CB 3.35Å; W143-N147 PolarHBondContact O-N 2.93Å; W143-N147 PolarHBondContact O-ND2 3.34Å; N147-K747 WeakPolarHBondContact O-CD 3.33Å; N147-K747 WeakPolarHBondContact O-CE 3.33Å; N147-K747 PolarHBondContact O-NZ 2.91Å
148	Y	94.8	Very high	95.8	Very high	172 Å²	172	43.4 Å²	43.4	68%	0.675	21%	0.209	S	C	*	.			trans	-112.2	159	168.6	60.7	-86.4	0	0	0	109.3	P150	Y148-P150 HydrophobicContact CE2-CG 4.5Å; Y148-P150 WeakPolarHBondContact O-CD 3.42Å
149	I	95.3	Very high	95.5	Very high	39 Å²	39	44.2 Å²	44.2	20%	0.2	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-79.7	119.1	171.1	-54.7	175.8	0	0	0	106.6	H153 W156 K747 L749	I149-H153 HydrophobicContact CG2-CB 3.94Å; I149-H153 WeakPolarHBondContact CG2-O 3.37Å; I149-W156 HydrophobicContact CG1-CB 4.42Å; I149-K747 HydrophobicContact CD1-CG 4.3Å; I149-K747 WeakPolarHBondContact CD1-O 3.47Å; I149-K747 HydrophobicContact CG1-CB 4.31Å; I149-K747 HydrophobicContact CG1-CD 4.45Å; I149-K747 HydrophobicContact CG1-CG 4.05Å; I149-K747 WeakPolarHBondContact CG1-O 3.48Å; I149-L749 HydrophobicContact CD1-CD2 3.9Å; I149-L749 HydrophobicContact CD1-CG 4.02Å
150	P	93	Very high	95.3	Very high	29 Å²	29	47.3 Å²	47.3	19%	0.188	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-64.1	157.9	179.4	-22.2	35.1	0	0	0	112	Y148 H153 W156	Y148-P150 HydrophobicContact CE2-CG 4.5Å; Y148-P150 WeakPolarHBondContact O-CD 3.42Å; P150-H153 WeakPolarHBondContact O-CB 3.21Å; P150-H153 PolarHBondContact O-N 3.05Å; P150-H153 VanDerWaalsContact O-N 3.11Å; P150-W156 VanDerWaalsContact CD-CD2 3.49Å; P150-W156 VanDerWaalsContact CD-CE3 3.46Å; P150-W156 HydrophobicContact CG-CD2 3.77Å; P150-W156 HydrophobicContact CG-CE3 3.67Å; P150-W156 HydrophobicContact CG-CG 4.42Å; P150-W156 HydrophobicContact CG-CH2 4.02Å; P150-W156 HydrophobicContact CG-CZ2 4.11Å; P150-W156 HydrophobicContact CG-CZ3 3.8Å
151	Q	88.5	Confident	95.1	Very high	143 Å²	143	50.8 Å²	50.8	67%	0.668	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	144.3	172.6	-173.2	170.3	-23.3	0	0	110.5	H153 V457	Q151-H153 PolarHBondContact O-N 2.7Å; Q151-H153 PolarHBondContact O-ND1 3.4Å; Q151-V457 HydrophobicContact CG-CB 4.08Å; Q151-V457 HydrophobicContact CG-CG1 4.38Å; Q151-V457 HydrophobicContact CG-CG2 4.44Å
152	G	89.7	Confident	94.8	Very high	9 Å²	9	49.1 Å²	49.1	9%	0.093	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-1.1	-174	0	0	0	0	0	115.8	V457 D458	G152-V457 WeakPolarHBondContact CA-O 3.42Å; G152-D458 WeakPolarHBondContact CA-O 3.43Å
153	H	93.5	Very high	94.6	Very high	11 Å²	11	50.5 Å²	50.5	5%	0.051	24%	0.241	C	C	.	.			trans	-114.1	142.4	-179	-58.4	66.1	0	0	0	111	I149 P150 Q151 W156 R160 Q463	I149-H153 HydrophobicContact CG2-CB 3.94Å; I149-H153 WeakPolarHBondContact CG2-O 3.37Å; P150-H153 WeakPolarHBondContact O-CB 3.21Å; P150-H153 PolarHBondContact O-N 3.05Å; P150-H153 VanDerWaalsContact O-N 3.11Å; Q151-H153 PolarHBondContact O-N 2.7Å; Q151-H153 PolarHBondContact O-ND1 3.4Å; H153-W156 AromaticContact CD2-CE3 3.99Å; H153-W156 AromaticContact CD2-CZ3 3.67Å; H153-W156 AromaticContact NE2-CZ3 3.89Å; H153-R160 PolarHBondContact CD2-NH2 3.45Å; H153-Q463 PolarHBondContact CE1-NE2 2.73Å; H153-Q463 VanDerWaalsContact CE1-NE2 3.31Å; H153-Q463 PolarHBondContact CE1-OE1 3.14Å; H153-Q463 PolarHBondContact NE2-NE2 3.3Å; H153-Q463 VanDerWaalsContact NE2-NE2 3.15Å
154	N	94.4	Very high	94.4	Very high	29 Å²	29	50.7 Å²	50.7	16%	0.155	24%	0.242	C	C	.	.	S	Bend	trans	-96.2	-19.2	176.8	61.6	-25.4	0	0	0	112.4	L453 L455 L749 S752	N154-L453 HydrophobicContact CB-CB 4.18Å; N154-L455 HydrophobicContact CB-CD2 3.95Å; N154-L455 HydrophobicContact CB-CG 4.16Å; N154-L749 HydrophobicContact CB-CD1 4.43Å; N154-L749 WeakPolarHBondContact O-CG 3.49Å; N154-L749 PolarHBondContact O-N 3.22Å; N154-S752 PolarHBondContact ND2-OG 3.43Å
155	S	95.6	Very high	94.2	Very high	23 Å²	23	54.8 Å²	54.8	16%	0.161	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155.9	176.4	61.4	0	0	0	0	110.8	K747 S748	S155-K747 CarbonylContact C-O 3.55Å; S155-K747 WeakPolarHBondContact CA-O 3.41Å; S155-S748 WeakPolarHBondContact CB-OG 3.22Å
156	W	96.9	Very high	94	Very high	28 Å²	28	48.5 Å²	48.5	11%	0.106	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	122.1	171.1	-160.9	-114.4	0	0	0	108.5	W143 I149 P150 H153 R160 K161 K164 I746 K747	W143-W156 HydrophobicContact CH2-CB 4.48Å; W143-W156 AromaticContact CH2-CD1 3.67Å; W143-W156 HydrophobicContact CH2-CG 4.34Å; W143-W156 WeakPolarHBondContact CH2-O 3.32Å; W143-W156 WeakPolarHBondContact CZ3-O 3.4Å; I149-W156 HydrophobicContact CG1-CB 4.42Å; P150-W156 VanDerWaalsContact CD-CD2 3.49Å; P150-W156 VanDerWaalsContact CD-CE3 3.46Å; P150-W156 HydrophobicContact CG-CD2 3.77Å; P150-W156 HydrophobicContact CG-CE3 3.67Å; P150-W156 HydrophobicContact CG-CG 4.42Å; P150-W156 HydrophobicContact CG-CH2 4.02Å; P150-W156 HydrophobicContact CG-CZ2 4.11Å; P150-W156 HydrophobicContact CG-CZ3 3.8Å; H153-W156 AromaticContact CD2-CE3 3.99Å; H153-W156 AromaticContact CD2-CZ3 3.67Å; H153-W156 AromaticContact NE2-CZ3 3.89Å; W156-R160 HydrophobicContact CE3-CG 3.82Å; W156-R160 HydrophobicContact CZ3-CG 3.9Å; W156-K161 HydrophobicContact CZ2-CB 4.22Å; W156-K161 HydrophobicContact CZ2-CG 4.36Å; W156-K164 HydrophobicContact CH2-CB 3.98Å; W156-K164 HydrophobicContact CH2-CD 4.08Å; W156-K164 HydrophobicContact CH2-CG 3.86Å; W156-I746 CarbonylContact O-C 3.57Å; W156-I746 WeakPolarHBondContact O-CA 3.39Å; W156-I746 WeakPolarHBondContact O-CG1 3.48Å; W156-K747 PolarHBondContact N-O 3.1Å; W156-K747 PolarHBondContact O-N 3.04Å
157	S	96.5	Very high	94	Very high	14 Å²	14	43.1 Å²	43.1	10%	0.098	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	170.1	-179.4	66.3	0	0	0	0	110.9	M159 R160 K161 C745	S157-M159 VanDerWaalsContact C-N 3.31Å; S157-M159 PolarHBondContact O-N 3.41Å; S157-R160 PolarHBondContact O-N 2.94Å; S157-R160 WeakPolarHBondContact OG-CB 3.32Å; S157-R160 PolarHBondContact OG-N 3.08Å; S157-K161 WeakPolarHBondContact O-CB 3.43Å; S157-K161 PolarHBondContact O-N 2.64Å; S157-C745 VanDerWaalsContact CA-O 3.26Å; S157-C745 WeakPolarHBondContact CA-O 3.34Å; S157-C745 WeakPolarHBondContact CB-O 3.4Å
158	V	95	Very high	94	Very high	14 Å²	14	47.4 Å²	47.4	9%	0.085	22%	0.218	C	C	.	.	H	α-helix	trans	-57.1	-44.5	171	167.1	0	0	0	0	111.5	W143 K161 L162 P616 Q742 C745	W143-V158 HydrophobicContact CZ2-CG2 4.2Å; V158-K161 PolarHBondContact O-N 3.2Å; V158-L162 PolarHBondContact O-N 3.45Å; V158-L162 VanDerWaalsContact O-N 3.12Å; V158-P616 HydrophobicContact CG1-CG 3.48Å; V158-P616 VanDerWaalsContact CG1-CG 3.48Å; V158-Q742 WeakPolarHBondContact CG2-O 3.45Å; V158-C745 HydrophobicContact CG2-CB 4.06Å; V158-C745 PolarHBondContact N-O 3.14Å; V158-C745 VanDerWaalsContact N-O 3.1Å
159	M	93.2	Very high	94.1	Very high	35 Å²	35	39.3 Å²	39.3	17%	0.172	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-47.4	175.2	-59.9	-53.3	-171.5	0	0	112.2	S157 K161 L162 S163 L617 L743	S157-M159 VanDerWaalsContact C-N 3.31Å; S157-M159 PolarHBondContact O-N 3.41Å; M159-K161 VanDerWaalsContact C-N 3.29Å; M159-K161 PolarHBondContact O-N 3.24Å; M159-L162 WeakPolarHBondContact O-CA 3.37Å; M159-L162 WeakPolarHBondContact O-CB 3.42Å; M159-L162 PolarHBondContact O-N 3.26Å; M159-S163 PolarHBondContact O-N 3.12Å; M159-S163 PolarHBondContact O-OG 2.74Å; M159-S163 VanDerWaalsContact O-OG 3.12Å; M159-L617 HydrophobicContact CE-CD2 3.81Å; M159-L617 HydrophobicContact CE-CG 4.32Å; M159-L617 HydrophobicContact SD-CD1 3.95Å; M159-L617 HydrophobicContact SD-CD2 4.19Å; M159-L617 HydrophobicContact SD-CG 4.4Å; M159-L743 HydrophobicContact CE-CB 3.91Å; M159-L743 HydrophobicContact CE-CD1 4.02Å; M159-L743 HydrophobicContact CE-CD2 4.45Å; M159-L743 HydrophobicContact CE-CG 4.35Å
160	R	94.5	Very high	94.2	Very high	64 Å²	64	37.4 Å²	37.4	24%	0.242	18%	0.176	C	C	.	.	H	α-helix	trans	-63.1	-35.9	179.4	-175.5	57.7	139.4	111.9	5.1	112.4	H153 W156 S157 L162 S163 K164 E167	H153-R160 PolarHBondContact CD2-NH2 3.45Å; W156-R160 HydrophobicContact CE3-CG 3.82Å; W156-R160 HydrophobicContact CZ3-CG 3.9Å; S157-R160 PolarHBondContact O-N 2.94Å; S157-R160 WeakPolarHBondContact OG-CB 3.32Å; S157-R160 PolarHBondContact OG-N 3.08Å; R160-L162 VanDerWaalsContact C-N 3.3Å; R160-S163 PolarHBondContact O-N 3.24Å; R160-K164 WeakPolarHBondContact O-CB 3.37Å; R160-K164 PolarHBondContact O-N 2.64Å; R160-E167 IonicContact NH1-OE1 2.73Å; R160-E167 PolarHBondContact NH1-OE1 3.04Å
161	K	94.5	Very high	94.4	Very high	73 Å²	73	38.4 Å²	38.4	32%	0.317	18%	0.178	S	C	.	.	H	α-helix	trans	-64.1	-35.3	173.3	-176.4	-177.3	176.4	-174.7	0	111.6	W156 S157 V158 M159 K164 Y165	W156-K161 HydrophobicContact CZ2-CB 4.22Å; W156-K161 HydrophobicContact CZ2-CG 4.36Å; S157-K161 WeakPolarHBondContact O-CB 3.43Å; S157-K161 PolarHBondContact O-N 2.64Å; V158-K161 PolarHBondContact O-N 3.2Å; M159-K161 VanDerWaalsContact C-N 3.29Å; M159-K161 PolarHBondContact O-N 3.24Å; K161-K164 WeakPolarHBondContact O-CB 3.34Å; K161-Y165 WeakPolarHBondContact CE-OH 3.4Å; K161-Y165 HydrophobicContact CG-CE2 4.22Å; K161-Y165 VanDerWaalsContact O-CD2 3.29Å; K161-Y165 WeakPolarHBondContact O-CD2 3Å
162	L	92.6	Very high	94.8	Very high	9 Å²	9	37.3 Å²	37.3	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-68.4	-50.4	173.8	-174.6	56.2	0	0	0	111	V158 M159 R160 K164 Y165 V595 Q614 L617	V158-L162 PolarHBondContact O-N 3.45Å; V158-L162 VanDerWaalsContact O-N 3.12Å; M159-L162 WeakPolarHBondContact O-CA 3.37Å; M159-L162 WeakPolarHBondContact O-CB 3.42Å; M159-L162 PolarHBondContact O-N 3.26Å; R160-L162 VanDerWaalsContact C-N 3.3Å; L162-K164 PolarHBondContact O-N 3.11Å; L162-K164 VanDerWaalsContact O-N 3.09Å; L162-Y165 HydrophobicContact CD1-CD2 4.39Å; L162-Y165 WeakPolarHBondContact O-CB 3.19Å; L162-Y165 PolarHBondContact O-N 2.71Å; L162-V595 HydrophobicContact CB-CG1 4.33Å; L162-V595 HydrophobicContact CB-CG2 4.29Å; L162-V595 HydrophobicContact CD2-CG1 3.73Å; L162-V595 HydrophobicContact CD2-CG2 4.18Å; L162-V595 HydrophobicContact CG-CG1 4.12Å; L162-V595 HydrophobicContact CG-CG2 3.8Å; L162-Q614 HydrophobicContact CD1-CB 3.8Å; L162-Q614 HydrophobicContact CD1-CG 4.46Å; L162-Q614 HydrophobicContact CD2-CB 4.02Å; L162-Q614 HydrophobicContact CG-CB 4.47Å; L162-L617 HydrophobicContact CD2-CD1 3.56Å
163	S	94.2	Very high	95.2	Very high	35 Å²	35	37.2 Å²	37.2	25%	0.245	17%	0.17	C	C	.	.	H	α-helix	trans	-55.9	-32.2	176.1	-41.7	0	0	0	0	112.3	M159 R160 Y165 D166 E167	M159-S163 PolarHBondContact O-N 3.12Å; M159-S163 PolarHBondContact O-OG 2.74Å; M159-S163 VanDerWaalsContact O-OG 3.12Å; R160-S163 PolarHBondContact O-N 3.24Å; S163-Y165 VanDerWaalsContact C-N 3.32Å; S163-Y165 PolarHBondContact O-N 2.78Å; S163-D166 PolarHBondContact O-N 3.03Å; S163-E167 PolarHBondContact O-N 2.9Å
164	K	94	Very high	95.4	Very high	12 Å²	12	36.8 Å²	36.8	5%	0.052	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-34.3	176	-169.6	73.5	-154.4	163.4	0	113	W156 R160 K161 L162 D166 E167 Y168	W156-K164 HydrophobicContact CH2-CB 3.98Å; W156-K164 HydrophobicContact CH2-CD 4.08Å; W156-K164 HydrophobicContact CH2-CG 3.86Å; R160-K164 WeakPolarHBondContact O-CB 3.37Å; R160-K164 PolarHBondContact O-N 2.64Å; K161-K164 WeakPolarHBondContact O-CB 3.34Å; L162-K164 PolarHBondContact O-N 3.11Å; L162-K164 VanDerWaalsContact O-N 3.09Å; K164-D166 VanDerWaalsContact C-N 3.32Å; K164-E167 IonicContact NZ-OE2 3.7Å; K164-E167 PolarHBondContact NZ-OE2 3.16Å; K164-E167 WeakPolarHBondContact O-CB 3.42Å; K164-E167 PolarHBondContact O-N 3.07Å; K164-Y168 HydrophobicContact CD-CE2 4.24Å; K164-Y168 VanDerWaalsContact CE-CZ 3.43Å; K164-Y168 WeakPolarHBondContact CE-OH 3.36Å; K164-Y168 HydrophobicContact CG-CD2 4.05Å; K164-Y168 HydrophobicContact CG-CE2 3.57Å; K164-Y168 WeakPolarHBondContact O-CD2 3.35Å; K164-Y168 PolarHBondContact O-N 3.36Å
165	Y	93.2	Very high	95.5	Very high	122 Å²	122	39 Å²	39	48%	0.478	18%	0.178	S	C	.	.	H	α-helix	trans	-67.8	-35.7	174.7	-66.6	-57.6	0	0	0	111.7	K161 L162 S163 Y168 F169	K161-Y165 WeakPolarHBondContact CE-OH 3.4Å; K161-Y165 HydrophobicContact CG-CE2 4.22Å; K161-Y165 VanDerWaalsContact O-CD2 3.29Å; K161-Y165 WeakPolarHBondContact O-CD2 3Å; L162-Y165 HydrophobicContact CD1-CD2 4.39Å; L162-Y165 WeakPolarHBondContact O-CB 3.19Å; L162-Y165 PolarHBondContact O-N 2.71Å; S163-Y165 VanDerWaalsContact C-N 3.32Å; S163-Y165 PolarHBondContact O-N 2.78Å; Y165-Y168 PolarHBondContact O-N 3.43Å; Y165-F169 PolarHBondContact O-N 3.34Å
166	D	93	Very high	95.5	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.027	19%	0.185	C	C	.	.	H	α-helix	trans	-74.3	-33.4	176.6	-49.8	-33.7	0	0	0	111.3	S163 K164 F169 T170 F481 V595 Q614	S163-D166 PolarHBondContact O-N 3.03Å; K164-D166 VanDerWaalsContact C-N 3.32Å; D166-F169 PolarHBondContact O-N 3.31Å; D166-T170 WeakPolarHBondContact O-CB 3.18Å; D166-T170 PolarHBondContact O-N 2.93Å; D166-T170 PolarHBondContact O-OG1 2.85Å; D166-F481 WeakPolarHBondContact OD1-CE2 3Å; D166-V595 WeakPolarHBondContact OD2-CG2 3.25Å; D166-Q614 PolarHBondContact OD1-NE2 2.97Å; D166-Q614 PolarHBondContact OD2-NE2 3.49Å
167	E	95.6	Very high	95.1	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-58.1	-46.7	166.3	-73.5	176.7	-136.9	0	0	111.2	R160 S163 K164 T170 K171 W462 Q463 V466	R160-E167 IonicContact NH1-OE1 2.73Å; R160-E167 PolarHBondContact NH1-OE1 3.04Å; S163-E167 PolarHBondContact O-N 2.9Å; K164-E167 IonicContact NZ-OE2 3.7Å; K164-E167 PolarHBondContact NZ-OE2 3.16Å; K164-E167 WeakPolarHBondContact O-CB 3.42Å; K164-E167 PolarHBondContact O-N 3.07Å; E167-T170 PolarHBondContact O-N 3.19Å; E167-K171 PolarHBondContact O-N 3.02Å; E167-W462 HydrophobicContact CB-CH2 4.38Å; E167-W462 HydrophobicContact CB-CZ3 4.12Å; E167-Q463 PolarHBondContact OE2-NE2 2.94Å; E167-V466 HydrophobicContact CB-CG1 4.32Å; E167-V466 HydrophobicContact CG-CG1 4.31Å
168	Y	96.6	Very high	94.9	Very high	121 Å²	121	53.2 Å²	53.2	48%	0.475	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-41.3	178.5	-75.7	-55.7	0	0	0	112.6	K164 Y165 T170 K171 E172 W462	K164-Y168 HydrophobicContact CD-CE2 4.24Å; K164-Y168 VanDerWaalsContact CE-CZ 3.43Å; K164-Y168 WeakPolarHBondContact CE-OH 3.36Å; K164-Y168 HydrophobicContact CG-CD2 4.05Å; K164-Y168 HydrophobicContact CG-CE2 3.57Å; K164-Y168 WeakPolarHBondContact O-CD2 3.35Å; K164-Y168 PolarHBondContact O-N 3.36Å; Y165-Y168 PolarHBondContact O-N 3.43Å; Y168-T170 VanDerWaalsContact C-N 3.34Å; Y168-K171 WeakPolarHBondContact O-CB 3.44Å; Y168-K171 PolarHBondContact O-N 2.84Å; Y168-E172 WeakPolarHBondContact O-CB 3.21Å; Y168-E172 PolarHBondContact O-N 3.24Å; Y168-W462 AromaticContact CD1-CH2 3.45Å; Y168-W462 HydrophobicContact CD1-CH2 3.45Å; Y168-W462 VanDerWaalsContact CD1-CH2 3.45Å; Y168-W462 AromaticContact CD1-CZ2 3.96Å; Y168-W462 HydrophobicContact CD1-CZ2 3.96Å; Y168-W462 HydrophobicContact CD1-CZ3 4.29Å; Y168-W462 AromaticContact CE1-CH2 3.4Å; Y168-W462 HydrophobicContact CE1-CH2 3.4Å; Y168-W462 VanDerWaalsContact CE1-CH2 3.4Å; Y168-W462 AromaticContact CE1-CZ2 3.44Å; Y168-W462 HydrophobicContact CE1-CZ2 3.44Å; Y168-W462 VanDerWaalsContact CE1-CZ2 3.44Å; Y168-W462 HydrophobicContact CG-CH2 4.27Å
169	F	96	Very high	94.7	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.009	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-47.2	172	170.5	-98.8	0	0	0	111.3	Y165 D166 K171 E172 L173 I477 H480 F481 E484 R485	Y165-F169 PolarHBondContact O-N 3.34Å; D166-F169 PolarHBondContact O-N 3.31Å; F169-K171 VanDerWaalsContact C-N 3.3Å; F169-K171 PolarHBondContact O-N 3.08Å; F169-E172 PolarHBondContact O-N 3.09Å; F169-L173 HydrophobicContact CE1-CD2 3.94Å; F169-L173 HydrophobicContact CZ-CB 4.48Å; F169-L173 HydrophobicContact CZ-CD2 4.1Å; F169-L173 VanDerWaalsContact O-CB 3.28Å; F169-L173 WeakPolarHBondContact O-CB 3.39Å; F169-L173 PolarHBondContact O-N 3.28Å; F169-I477 HydrophobicContact CE1-CG2 4.42Å; F169-H480 HydrophobicContact CE1-CB 4.28Å; F169-H480 HydrophobicContact CZ-CB 3.85Å; F169-F481 HydrophobicContact CD1-CB 4.11Å; F169-F481 AromaticContact CD1-CD2 3.71Å; F169-F481 HydrophobicContact CD1-CD2 3.71Å; F169-F481 HydrophobicContact CD1-CG 4.42Å; F169-F481 VanDerWaalsContact CE1-CA 3.48Å; F169-F481 HydrophobicContact CE1-CB 3.61Å; F169-F481 HydrophobicContact CE1-CD2 4.05Å; F169-F481 HydrophobicContact CE1-CG 4.35Å; F169-F481 HydrophobicContact CG-CD2 4.12Å; F169-F481 HydrophobicContact CZ-CB 4.22Å; F169-E484 HydrophobicContact CE2-CB 4.08Å; F169-E484 HydrophobicContact CZ-CB 4.48Å; F169-R485 HydrophobicContact CD2-CG 3.8Å; F169-R485 HydrophobicContact CE2-CG 4Å; F169-R485 HydrophobicContact CG-CG 4.36Å
170	T	97.1	Very high	94.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-42.9	178.6	-53.3	0	0	0	0	111.2	D166 E167 Y168 L174 V466 Q470 I477	D166-T170 WeakPolarHBondContact O-CB 3.18Å; D166-T170 PolarHBondContact O-N 2.93Å; D166-T170 PolarHBondContact O-OG1 2.85Å; E167-T170 PolarHBondContact O-N 3.19Å; Y168-T170 VanDerWaalsContact C-N 3.34Å; T170-L174 HydrophobicContact CG2-CD1 3.68Å; T170-L174 HydrophobicContact CG2-CG 4.41Å; T170-L174 WeakPolarHBondContact O-CB 3.37Å; T170-L174 WeakPolarHBondContact O-CD1 3.35Å; T170-L174 WeakPolarHBondContact O-CG 3.2Å; T170-L174 PolarHBondContact O-N 2.86Å; T170-V466 HydrophobicContact CG2-CB 4.48Å; T170-V466 HydrophobicContact CG2-CG1 3.83Å; T170-V466 HydrophobicContact CG2-CG2 4.17Å; T170-Q470 HydrophobicContact CG2-CG 4.28Å; T170-Q470 PolarHBondContact OG1-NE2 2.97Å; T170-Q470 VanDerWaalsContact OG1-NE2 3.14Å; T170-I477 HydrophobicContact CG2-CD1 3.64Å; T170-I477 HydrophobicContact CG2-CG1 4.12Å; T170-I477 HydrophobicContact CG2-CG2 3.97Å
171	K	97.7	Very high	94.6	Very high	50 Å²	50	57.9 Å²	57.9	22%	0.217	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-51.5	175.5	-174.5	-167.1	-170.1	-68.6	0	112.2	E167 Y168 F169 L173 L174 E175 W462 V466	E167-K171 PolarHBondContact O-N 3.02Å; Y168-K171 WeakPolarHBondContact O-CB 3.44Å; Y168-K171 PolarHBondContact O-N 2.84Å; F169-K171 VanDerWaalsContact C-N 3.3Å; F169-K171 PolarHBondContact O-N 3.08Å; K171-L173 VanDerWaalsContact C-N 3.33Å; K171-L173 PolarHBondContact O-N 3.34Å; K171-L174 PolarHBondContact O-N 3.43Å; K171-E175 WeakPolarHBondContact CE-OE1 3.15Å; K171-E175 WeakPolarHBondContact CG-OE1 3.45Å; K171-E175 IonicContact NZ-OE1 3.53Å; K171-E175 PolarHBondContact NZ-OE1 3.46Å; K171-E175 IonicContact NZ-OE2 3.38Å; K171-E175 PolarHBondContact NZ-OE2 3.27Å; K171-E175 WeakPolarHBondContact O-CB 3.36Å; K171-E175 WeakPolarHBondContact O-CG 3.5Å; K171-E175 PolarHBondContact O-N 2.93Å; K171-W462 HydrophobicContact CB-CE3 3.96Å; K171-W462 HydrophobicContact CB-CZ3 4.02Å; K171-W462 HydrophobicContact CD-CB 4.45Å; K171-W462 HydrophobicContact CD-CD2 3.67Å; K171-W462 HydrophobicContact CD-CE3 3.57Å; K171-W462 HydrophobicContact CD-CG 4.08Å; K171-W462 HydrophobicContact CD-CH2 4.38Å; K171-W462 HydrophobicContact CD-CZ3 3.94Å; K171-W462 HydrophobicContact CG-CD2 4.39Å; K171-W462 HydrophobicContact CG-CE3 3.94Å; K171-W462 HydrophobicContact CG-CZ3 4.4Å; K171-V466 HydrophobicContact CB-CG2 4.13Å
172	E	97.5	Very high	94.4	Very high	120 Å²	120	60.4 Å²	60.4	56%	0.561	30%	0.3	S	S	*	.	H	α-helix	trans	-57.7	-45.5	-179.7	-179.2	177.5	-162.7	0	0	111.5	Y168 F169 N176 R485	Y168-E172 WeakPolarHBondContact O-CB 3.21Å; Y168-E172 PolarHBondContact O-N 3.24Å; F169-E172 PolarHBondContact O-N 3.09Å; E172-N176 WeakPolarHBondContact O-CB 3.45Å; E172-N176 PolarHBondContact O-N 2.9Å; E172-R485 IonicContact OE2-NH2 2.78Å; E172-R485 PolarHBondContact OE2-NH2 3.29Å
173	L	97.4	Very high	94.6	Very high	7 Å²	7	60.2 Å²	60.2	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-49.5	177	175.3	65.8	0	0	0	112.4	F169 K171 N176 F186 I477 H480	F169-L173 HydrophobicContact CE1-CD2 3.94Å; F169-L173 HydrophobicContact CZ-CB 4.48Å; F169-L173 HydrophobicContact CZ-CD2 4.1Å; F169-L173 VanDerWaalsContact O-CB 3.28Å; F169-L173 WeakPolarHBondContact O-CB 3.39Å; F169-L173 PolarHBondContact O-N 3.28Å; K171-L173 VanDerWaalsContact C-N 3.33Å; K171-L173 PolarHBondContact O-N 3.34Å; L173-N176 PolarHBondContact O-N 2.88Å; L173-F186 HydrophobicContact CD1-CE2 3.71Å; L173-F186 HydrophobicContact CD1-CZ 4.04Å; L173-F186 HydrophobicContact CD2-CE2 4.23Å; L173-F186 HydrophobicContact CG-CE2 3.78Å; L173-F186 HydrophobicContact CG-CZ 4.35Å; L173-I477 HydrophobicContact CD2-CG2 4.48Å; L173-H480 HydrophobicContact CD1-CB 3.98Å; L173-H480 HydrophobicContact CD2-CB 3.56Å; L173-H480 HydrophobicContact CG-CB 4.43Å
174	L	97.7	Very high	94.6	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-71.5	-35.5	-176.2	-68.1	168.5	0	0	0	112.6	T170 K171 N176 A189 Q190 Y193 V469	T170-L174 HydrophobicContact CG2-CD1 3.68Å; T170-L174 HydrophobicContact CG2-CG 4.41Å; T170-L174 WeakPolarHBondContact O-CB 3.37Å; T170-L174 WeakPolarHBondContact O-CD1 3.35Å; T170-L174 WeakPolarHBondContact O-CG 3.2Å; T170-L174 PolarHBondContact O-N 2.86Å; K171-L174 PolarHBondContact O-N 3.43Å; L174-N176 VanDerWaalsContact C-N 3.29Å; L174-N176 PolarHBondContact O-N 2.95Å; L174-A189 HydrophobicContact CD2-CB 3.89Å; L174-Q190 HydrophobicContact CD2-CG 4.17Å; L174-Q190 PolarHBondContact O-NE2 2.97Å; L174-Y193 HydrophobicContact CB-CD1 3.94Å; L174-Y193 HydrophobicContact CB-CD2 4.39Å; L174-Y193 HydrophobicContact CB-CE1 4.4Å; L174-Y193 HydrophobicContact CB-CG 3.94Å; L174-Y193 HydrophobicContact CD1-CD2 3.78Å; L174-Y193 HydrophobicContact CD1-CE2 4.46Å; L174-Y193 HydrophobicContact CD1-CG 3.94Å; L174-Y193 HydrophobicContact CG-CG 4.5Å; L174-V469 HydrophobicContact CD1-CB 4.34Å; L174-V469 HydrophobicContact CD1-CG1 3.84Å; L174-V469 HydrophobicContact CD2-CG1 4.3Å
175	E	97.2	Very high	94.7	Very high	77 Å²	77	61.7 Å²	61.7	36%	0.36	30%	0.299	S	S	.	.	H	α-helix	trans	-75.4	-15.4	177.8	-72.7	176.9	-176	0	0	113.7	K171 R177 Y193	K171-E175 WeakPolarHBondContact CE-OE1 3.15Å; K171-E175 WeakPolarHBondContact CG-OE1 3.45Å; K171-E175 IonicContact NZ-OE1 3.53Å; K171-E175 PolarHBondContact NZ-OE1 3.46Å; K171-E175 IonicContact NZ-OE2 3.38Å; K171-E175 PolarHBondContact NZ-OE2 3.27Å; K171-E175 WeakPolarHBondContact O-CB 3.36Å; K171-E175 WeakPolarHBondContact O-CG 3.5Å; K171-E175 PolarHBondContact O-N 2.93Å; E175-R177 PolarHBondContact O-N 2.79Å; E175-Y193 HydrophobicContact CG-CD1 4.5Å; E175-Y193 HydrophobicContact CG-CE1 3.52Å; E175-Y193 PolarHBondContact OE1-OH 3.34Å
176	N	95.9	Very high	94.8	Very high	60 Å²	60	56 Å²	56	32%	0.321	28%	0.277	S	S	.	.			trans	-72.5	86.7	178	-173.2	-1.7	0	0	0	112.1	E172 L173 L174 S178 H179 Q190	E172-N176 WeakPolarHBondContact O-CB 3.45Å; E172-N176 PolarHBondContact O-N 2.9Å; L173-N176 PolarHBondContact O-N 2.88Å; L174-N176 VanDerWaalsContact C-N 3.29Å; L174-N176 PolarHBondContact O-N 2.95Å; N176-S178 PolarHBondContact O-N 3.23Å; N176-S178 VanDerWaalsContact O-N 3.11Å; N176-S178 WeakPolarHBondContact OD1-CA 3.07Å; N176-S178 PolarHBondContact OD1-N 3.38Å; N176-S178 PolarHBondContact OD1-OG 3.42Å; N176-H179 HydrophobicContact CB-CB 4.3Å; N176-H179 VanDerWaalsContact O-CB 3.26Å; N176-H179 WeakPolarHBondContact O-CB 3.44Å; N176-H179 PolarHBondContact O-N 2.79Å; N176-H179 PolarHBondContact OD1-N 3.39Å; N176-Q190 PolarHBondContact O-NE2 2.67Å
177	R	88.5	Confident	95	Very high	204 Å²	204	58.7 Å²	58.7	77%	0.77	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-9.5	173.5	-64.6	-175.8	175.1	-156.4	-8.3	114.9	E175	E175-R177 PolarHBondContact O-N 2.79Å
178	S	91.5	Very high	95.1	Very high	99 Å²	99	58.5 Å²	58.5	69%	0.692	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	6.4	174.8	56.8	0	0	0	0	113.5	N176	N176-S178 PolarHBondContact O-N 3.23Å; N176-S178 VanDerWaalsContact O-N 3.11Å; N176-S178 WeakPolarHBondContact OD1-CA 3.07Å; N176-S178 PolarHBondContact OD1-N 3.38Å; N176-S178 PolarHBondContact OD1-OG 3.42Å
179	H	92.1	Very high	95.1	Very high	49 Å²	49	52.8 Å²	52.8	23%	0.227	27%	0.27	C	S	.	.			trans	-61.8	137.3	176.1	-159	-87.5	0	0	0	110.7	N176 D181 F186 H480	N176-H179 HydrophobicContact CB-CB 4.3Å; N176-H179 VanDerWaalsContact O-CB 3.26Å; N176-H179 WeakPolarHBondContact O-CB 3.44Å; N176-H179 PolarHBondContact O-N 2.79Å; N176-H179 PolarHBondContact OD1-N 3.39Å; H179-D181 VanDerWaalsContact ND1-CB 3.32Å; H179-D181 WeakPolarHBondContact ND1-CB 3.46Å; H179-D181 PolarHBondContact ND1-N 3.21Å; H179-F186 HydrophobicContact CB-CE1 3.96Å; H179-F186 HydrophobicContact CB-CZ 4.02Å; H179-F186 AromaticContact CG-CE1 3.98Å; H179-F186 AromaticContact CG-CZ 3.81Å; H179-F186 AromaticContact ND1-CE1 3.68Å; H179-F186 AromaticContact ND1-CZ 3.7Å; H179-H480 AromaticContact CE1-CE1 3.37Å; H179-H480 PolarHBondContact CE1-CE1 3.42Å; H179-H480 AromaticContact CE1-ND1 3.66Å; H179-H480 AromaticContact NE2-ND1 3.91Å
180	T	91.9	Very high	95.2	Very high	130 Å²	130	54.4 Å²	54.4	80%	0.798	28%	0.278	S	S	*	.			trans	-89.5	-6	-170.8	50.6	0	0	0	0	114.4
181	D	93.3	Very high	95.2	Very high	31 Å²	31	56.2 Å²	56.2	17%	0.166	29%	0.287	C	S	.	.			trans	-74.7	124.9	176.9	-163.6	-38	0	0	0	111.1	H179 S183 F186 R479 H480	H179-D181 VanDerWaalsContact ND1-CB 3.32Å; H179-D181 WeakPolarHBondContact ND1-CB 3.46Å; H179-D181 PolarHBondContact ND1-N 3.21Å; D181-S183 VanDerWaalsContact OD1-CB 3.23Å; D181-S183 WeakPolarHBondContact OD1-CB 3.34Å; D181-S183 PolarHBondContact OD1-N 3.02Å; D181-S183 PolarHBondContact OD1-OG 3.33Å; D181-F186 HydrophobicContact CB-CD1 4.02Å; D181-F186 HydrophobicContact CB-CE1 4.42Å; D181-F186 HydrophobicContact CB-CG 4.28Å; D181-F186 WeakPolarHBondContact O-CD1 3.25Å; D181-R479 IonicContact OD1-NH2 2.79Å; D181-R479 IonicContact OD2-CZ 3.55Å; D181-R479 IonicContact OD2-NH1 3.16Å; D181-R479 PolarHBondContact OD2-NH1 2.96Å; D181-R479 IonicContact OD2-NH2 3.46Å; D181-R479 PolarHBondContact OD2-NH2 3.25Å; D181-H480 IonicContact OD2-CE1 3.66Å; D181-H480 PolarHBondContact OD2-CE1 3.4Å; D181-H480 IonicContact OD2-NE2 2.88Å; D181-H480 PolarHBondContact OD2-NE2 2.92Å
182	T	90.7	Very high	95.3	Very high	127 Å²	127	54 Å²	54	78%	0.779	28%	0.277	S	S	*	.			trans	-116.9	22.6	179.1	60	0	0	0	0	112.3
183	S	94.9	Very high	95.3	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.028	25%	0.251	C	S	.	.			trans	-61	151.7	173.4	91.6	0	0	0	0	110.9	D181 G185 F186 T187 R479 E546	D181-S183 VanDerWaalsContact OD1-CB 3.23Å; D181-S183 WeakPolarHBondContact OD1-CB 3.34Å; D181-S183 PolarHBondContact OD1-N 3.02Å; D181-S183 PolarHBondContact OD1-OG 3.33Å; S183-G185 VanDerWaalsContact C-N 3.33Å; S183-G185 PolarHBondContact O-N 2.74Å; S183-F186 PolarHBondContact O-N 2.9Å; S183-F186 WeakPolarHBondContact OG-CB 3.09Å; S183-F186 PolarHBondContact OG-N 2.82Å; S183-F186 VanDerWaalsContact OG-N 3.12Å; S183-T187 WeakPolarHBondContact O-CB 3.4Å; S183-T187 PolarHBondContact O-N 3.17Å; S183-T187 PolarHBondContact O-OG1 2.93Å; S183-R479 PolarHBondContact OG-NH2 3.44Å; S183-E546 VanDerWaalsContact CB-OE1 3.28Å; S183-E546 WeakPolarHBondContact CB-OE1 3.4Å; S183-E546 PolarHBondContact OG-OE1 2.97Å
184	R	95.3	Very high	95.4	Very high	79 Å²	79	49.4 Å²	49.4	30%	0.298	26%	0.257	S	S	.	.	H	α-helix	trans	-63.3	-44.1	-179.7	-177	171.2	179.8	71.7	1.6	110.1	F186 T187 L188 N547 F550 F553 D555	R184-F186 PolarHBondContact O-N 2.75Å; R184-T187 PolarHBondContact O-N 2.74Å; R184-L188 HydrophobicContact CG-CD1 3.76Å; R184-L188 HydrophobicContact CG-CG 4.26Å; R184-L188 WeakPolarHBondContact O-CB 3.24Å; R184-L188 WeakPolarHBondContact O-CG 3.41Å; R184-L188 PolarHBondContact O-N 2.95Å; R184-N547 WeakPolarHBondContact CB-OD1 3.47Å; R184-N547 PolarHBondContact N-OD1 3.27Å; R184-F550 HydrophobicContact CB-CB 4.37Å; R184-F550 WeakPolarHBondContact CD-O 3.39Å; R184-F550 HydrophobicContact CG-CB 3.95Å; R184-F550 PolarHBondContact NE-O 2.68Å; R184-F553 PolarHBondContact NH2-O 3.4Å; R184-D555 IonicContact CZ-OD1 2.76Å; R184-D555 VanDerWaalsContact CZ-OD1 3.23Å; R184-D555 IonicContact NH1-OD1 3.53Å; R184-D555 PolarHBondContact NH1-OD1 3.34Å; R184-D555 IonicContact NH2-OD1 3.18Å; R184-D555 PolarHBondContact NH2-OD1 2.99Å
185	G	95.4	Very high	95.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.7	-46.5	177	0	0	0	0	0	112.8	S183 L188 A189	S183-G185 VanDerWaalsContact C-N 3.33Å; S183-G185 PolarHBondContact O-N 2.74Å; G185-L188 PolarHBondContact O-N 3.36Å; G185-A189 WeakPolarHBondContact O-CB 3.43Å; G185-A189 PolarHBondContact O-N 3.44Å
186	F	96.4	Very high	95.5	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	24%	0.24	C	C	.	.	H	α-helix	trans	-66.7	-44.1	-179.8	-171.8	-104.3	0	0	0	112.1	L173 H179 D181 S183 R184 L188 A189 Q190 V476 H480	L173-F186 HydrophobicContact CD1-CE2 3.71Å; L173-F186 HydrophobicContact CD1-CZ 4.04Å; L173-F186 HydrophobicContact CD2-CE2 4.23Å; L173-F186 HydrophobicContact CG-CE2 3.78Å; L173-F186 HydrophobicContact CG-CZ 4.35Å; H179-F186 HydrophobicContact CB-CE1 3.96Å; H179-F186 HydrophobicContact CB-CZ 4.02Å; H179-F186 AromaticContact CG-CE1 3.98Å; H179-F186 AromaticContact CG-CZ 3.81Å; H179-F186 AromaticContact ND1-CE1 3.68Å; H179-F186 AromaticContact ND1-CZ 3.7Å; D181-F186 HydrophobicContact CB-CD1 4.02Å; D181-F186 HydrophobicContact CB-CE1 4.42Å; D181-F186 HydrophobicContact CB-CG 4.28Å; D181-F186 WeakPolarHBondContact O-CD1 3.25Å; S183-F186 PolarHBondContact O-N 2.9Å; S183-F186 WeakPolarHBondContact OG-CB 3.09Å; S183-F186 PolarHBondContact OG-N 2.82Å; S183-F186 VanDerWaalsContact OG-N 3.12Å; R184-F186 PolarHBondContact O-N 2.75Å; F186-L188 PolarHBondContact O-N 3.28Å; F186-A189 WeakPolarHBondContact O-CB 3.4Å; F186-A189 PolarHBondContact O-N 3.04Å; F186-Q190 HydrophobicContact CD1-CG 4.37Å; F186-Q190 HydrophobicContact CE1-CG 3.93Å; F186-Q190 VanDerWaalsContact CE1-OE1 3.3Å; F186-Q190 HydrophobicContact CZ-CG 4.01Å; F186-Q190 PolarHBondContact O-N 3.49Å; F186-V476 HydrophobicContact CB-CG1 3.98Å; F186-V476 HydrophobicContact CD2-CG1 4.29Å; F186-H480 AromaticContact CD2-NE2 3.49Å; F186-H480 WeakPolarHBondContact CD2-NE2 3.36Å; F186-H480 AromaticContact CE2-NE2 3.89Å
187	T	96.1	Very high	95.6	Very high	60 Å²	60	45.9 Å²	45.9	37%	0.368	24%	0.24	S	C	.	.	H	α-helix	trans	-59.8	-45.9	177.2	-53.8	0	0	0	0	111.5	S183 R184 Q190 I191	S183-T187 WeakPolarHBondContact O-CB 3.4Å; S183-T187 PolarHBondContact O-N 3.17Å; S183-T187 PolarHBondContact O-OG1 2.93Å; R184-T187 PolarHBondContact O-N 2.74Å; T187-Q190 PolarHBondContact O-N 2.75Å; T187-I191 HydrophobicContact CG2-CD1 4.01Å; T187-I191 VanDerWaalsContact O-CG1 3.32Å; T187-I191 WeakPolarHBondContact O-CG1 3.48Å; T187-I191 PolarHBondContact O-N 3.46Å; T187-I191 VanDerWaalsContact O-N 3.09Å
188	L	97.3	Very high	96	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-39.3	177.1	-66.1	168.6	0	0	0	111.6	R184 G185 F186 I191 Y192 F473 F550 F553 L556	R184-L188 HydrophobicContact CG-CD1 3.76Å; R184-L188 HydrophobicContact CG-CG 4.26Å; R184-L188 WeakPolarHBondContact O-CB 3.24Å; R184-L188 WeakPolarHBondContact O-CG 3.41Å; R184-L188 PolarHBondContact O-N 2.95Å; G185-L188 PolarHBondContact O-N 3.36Å; F186-L188 PolarHBondContact O-N 3.28Å; L188-I191 PolarHBondContact O-N 2.88Å; L188-Y192 WeakPolarHBondContact O-CB 3.13Å; L188-Y192 PolarHBondContact O-N 3.47Å; L188-F473 HydrophobicContact CB-CD1 4.45Å; L188-F473 HydrophobicContact CB-CE1 3.53Å; L188-F473 HydrophobicContact CB-CE2 4.49Å; L188-F473 HydrophobicContact CB-CZ 3.57Å; L188-F473 HydrophobicContact CD1-CE1 4.21Å; L188-F550 HydrophobicContact CD1-CB 4.07Å; L188-F550 HydrophobicContact CD1-CD1 4.28Å; L188-F550 HydrophobicContact CD1-CG 4.37Å; L188-F553 HydrophobicContact CD1-CB 3.84Å; L188-F553 HydrophobicContact CD1-CD1 4.34Å; L188-F553 HydrophobicContact CD1-CG 4.25Å; L188-L556 HydrophobicContact CB-CD1 4.32Å; L188-L556 HydrophobicContact CD2-CB 4.37Å; L188-L556 HydrophobicContact CD2-CD1 4.25Å; L188-L556 HydrophobicContact CD2-CG 3.86Å
189	A	97.6	Very high	96.2	Very high	1 Å²	1	39 Å²	39	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-46.3	176.6	0	0	0	0	0	112.4	L174 G185 F186 Y192 Y193 V469 F473	L174-A189 HydrophobicContact CD2-CB 3.89Å; G185-A189 WeakPolarHBondContact O-CB 3.43Å; G185-A189 PolarHBondContact O-N 3.44Å; F186-A189 WeakPolarHBondContact O-CB 3.4Å; F186-A189 PolarHBondContact O-N 3.04Å; A189-Y192 PolarHBondContact O-N 3.02Å; A189-Y193 WeakPolarHBondContact O-CB 3.4Å; A189-Y193 PolarHBondContact O-N 2.93Å; A189-V469 HydrophobicContact CB-CG1 3.93Å; A189-F473 HydrophobicContact CB-CB 3.66Å; A189-F473 HydrophobicContact CB-CD1 4.24Å; A189-F473 HydrophobicContact CB-CD2 3.78Å; A189-F473 HydrophobicContact CB-CG 3.61Å
190	Q	97.8	Very high	96.5	Very high	37 Å²	37	41 Å²	41	17%	0.173	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-44.5	176.6	-71.3	-167.2	-57.9	0	0	112.1	L174 N176 F186 T187 Y192 Y193 N194	L174-Q190 HydrophobicContact CD2-CG 4.17Å; L174-Q190 PolarHBondContact O-NE2 2.97Å; N176-Q190 PolarHBondContact O-NE2 2.67Å; F186-Q190 HydrophobicContact CD1-CG 4.37Å; F186-Q190 HydrophobicContact CE1-CG 3.93Å; F186-Q190 VanDerWaalsContact CE1-OE1 3.3Å; F186-Q190 HydrophobicContact CZ-CG 4.01Å; F186-Q190 PolarHBondContact O-N 3.49Å; T187-Q190 PolarHBondContact O-N 2.75Å; Q190-Y192 VanDerWaalsContact C-N 3.34Å; Q190-Y192 PolarHBondContact O-N 3.23Å; Q190-Y193 PolarHBondContact O-N 2.92Å; Q190-N194 WeakPolarHBondContact O-CB 3.43Å; Q190-N194 PolarHBondContact O-N 3.49Å; Q190-N194 PolarHBondContact O-ND2 2.68Å
191	I	97.9	Very high	96.8	Very high	38 Å²	38	36.5 Å²	36.5	20%	0.195	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-42	177.4	-67	167.1	0	0	0	110.8	T187 L188 S195 L556 E558	T187-I191 HydrophobicContact CG2-CD1 4.01Å; T187-I191 VanDerWaalsContact O-CG1 3.32Å; T187-I191 WeakPolarHBondContact O-CG1 3.48Å; T187-I191 PolarHBondContact O-N 3.46Å; T187-I191 VanDerWaalsContact O-N 3.09Å; L188-I191 PolarHBondContact O-N 2.88Å; I191-S195 WeakPolarHBondContact O-CB 3.23Å; I191-S195 PolarHBondContact O-N 2.7Å; I191-S195 PolarHBondContact O-OG 2.93Å; I191-L556 HydrophobicContact CB-CB 4.36Å; I191-L556 HydrophobicContact CG2-CB 3.65Å; I191-E558 HydrophobicContact CG2-CG 4.03Å
192	Y	98.4	Very high	97	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-45.3	178.6	-170	-139.5	0	0	0	111.2	L188 A189 Q190 S195 C196 E468 V469 P472 F473 L556 Y561 N564 A565	L188-Y192 WeakPolarHBondContact O-CB 3.13Å; L188-Y192 PolarHBondContact O-N 3.47Å; A189-Y192 PolarHBondContact O-N 3.02Å; Q190-Y192 VanDerWaalsContact C-N 3.34Å; Q190-Y192 PolarHBondContact O-N 3.23Å; Y192-S195 PolarHBondContact O-N 2.89Å; Y192-S195 PolarHBondContact O-OG 3.03Å; Y192-C196 PolarHBondContact O-N 2.86Å; Y192-E468 HydrophobicContact CE1-CB 4.13Å; Y192-E468 WeakPolarHBondContact CE1-O 3.48Å; Y192-E468 PolarHBondContact OH-OE2 2.95Å; Y192-V469 HydrophobicContact CD1-CB 4.43Å; Y192-V469 HydrophobicContact CD1-CG2 3.72Å; Y192-V469 HydrophobicContact CE1-CG2 4.41Å; Y192-V469 HydrophobicContact CG-CG2 4.29Å; Y192-P472 HydrophobicContact CD1-CG 4.3Å; Y192-P472 HydrophobicContact CE1-CG 4.26Å; Y192-F473 HydrophobicContact CD1-CD2 4.46Å; Y192-F473 HydrophobicContact CD1-CE2 4.01Å; Y192-F473 HydrophobicContact CG-CE2 4.38Å; Y192-L556 HydrophobicContact CG-CD1 4.44Å; Y192-Y561 HydrophobicContact CD2-CD2 4.25Å; Y192-Y561 HydrophobicContact CD2-CE2 4.42Å; Y192-Y561 AromaticContact CE2-CD2 3.68Å; Y192-Y561 HydrophobicContact CE2-CD2 3.68Å; Y192-Y561 AromaticContact CE2-CE2 3.6Å; Y192-Y561 HydrophobicContact CE2-CE2 3.6Å; Y192-Y561 AromaticContact CZ-CE2 3.89Å; Y192-N564 HydrophobicContact CD2-CB 3.56Å; Y192-N564 HydrophobicContact CE2-CB 3.82Å; Y192-A565 HydrophobicContact CE2-CB 3.95Å; Y192-A565 WeakPolarHBondContact OH-CA 3.36Å; Y192-A565 WeakPolarHBondContact OH-CB 3.47Å
193	Y	98.5	Very high	97.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-55.8	-53.3	173.6	-177.4	-102.7	0	0	0	112.2	L174 E175 A189 Q190 S195 C196 M197 C465 V466 V469	L174-Y193 HydrophobicContact CB-CD1 3.94Å; L174-Y193 HydrophobicContact CB-CD2 4.39Å; L174-Y193 HydrophobicContact CB-CE1 4.4Å; L174-Y193 HydrophobicContact CB-CG 3.94Å; L174-Y193 HydrophobicContact CD1-CD2 3.78Å; L174-Y193 HydrophobicContact CD1-CE2 4.46Å; L174-Y193 HydrophobicContact CD1-CG 3.94Å; L174-Y193 HydrophobicContact CG-CG 4.5Å; E175-Y193 HydrophobicContact CG-CD1 4.5Å; E175-Y193 HydrophobicContact CG-CE1 3.52Å; E175-Y193 PolarHBondContact OE1-OH 3.34Å; A189-Y193 WeakPolarHBondContact O-CB 3.4Å; A189-Y193 PolarHBondContact O-N 2.93Å; Q190-Y193 PolarHBondContact O-N 2.92Å; Y193-S195 VanDerWaalsContact C-N 3.28Å; Y193-S195 PolarHBondContact O-N 2.83Å; Y193-C196 WeakPolarHBondContact O-CB 3.37Å; Y193-C196 PolarHBondContact O-N 2.93Å; Y193-C196 VanDerWaalsContact O-N 3.09Å; Y193-M197 HydrophobicContact CD1-CG 4.06Å; Y193-M197 HydrophobicContact CD2-CG 4.45Å; Y193-M197 HydrophobicContact CE1-CG 3.61Å; Y193-M197 HydrophobicContact CE1-SD 4.46Å; Y193-M197 HydrophobicContact CE2-CG 4.04Å; Y193-M197 HydrophobicContact CE2-SD 4.27Å; Y193-M197 HydrophobicContact CG-CG 4.46Å; Y193-M197 WeakPolarHBondContact O-CG 3.33Å; Y193-M197 PolarHBondContact O-N 3.44Å; Y193-C465 HydrophobicContact CD2-CB 3.77Å; Y193-C465 HydrophobicContact CE2-CB 3.73Å; Y193-V466 HydrophobicContact CE2-CG2 4.05Å; Y193-V469 HydrophobicContact CD2-CG2 4.35Å
194	N	98.3	Very high	97.4	Very high	30 Å²	30	36.3 Å²	36.3	16%	0.16	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-38.1	-179.8	-70.2	-18.3	0	0	0	111.7	Q190 M197 N198 E558	Q190-N194 WeakPolarHBondContact O-CB 3.43Å; Q190-N194 PolarHBondContact O-N 3.49Å; Q190-N194 PolarHBondContact O-ND2 2.68Å; N194-M197 PolarHBondContact O-N 3.35Å; N194-N198 PolarHBondContact O-N 3.41Å; N194-E558 HydrophobicContact CB-CG 4.09Å; N194-E558 WeakPolarHBondContact CB-OE1 3.44Å; N194-E558 PolarHBondContact ND2-OE1 3.49Å
195	S	98.4	Very high	97.5	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-40.9	174.8	77.2	0	0	0	0	112.5	I191 Y192 Y193 E558 Y561 N564	I191-S195 WeakPolarHBondContact O-CB 3.23Å; I191-S195 PolarHBondContact O-N 2.7Å; I191-S195 PolarHBondContact O-OG 2.93Å; Y192-S195 PolarHBondContact O-N 2.89Å; Y192-S195 PolarHBondContact O-OG 3.03Å; Y193-S195 VanDerWaalsContact C-N 3.28Å; Y193-S195 PolarHBondContact O-N 2.83Å; S195-E558 VanDerWaalsContact CA-O 3.27Å; S195-E558 WeakPolarHBondContact CA-O 3.48Å; S195-E558 WeakPolarHBondContact CB-O 3.26Å; S195-Y561 WeakPolarHBondContact O-CB 3.29Å; S195-N564 VanDerWaalsContact CB-ND2 3.3Å; S195-N564 WeakPolarHBondContact CB-ND2 3.49Å; S195-N564 PolarHBondContact OG-ND2 3.14Å
196	C	98.3	Very high	97.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.7	-40	176.1	177.7	0	0	0	0	112	Y192 Y193 N198 R461 C465 Y561	Y192-C196 PolarHBondContact O-N 2.86Å; Y193-C196 WeakPolarHBondContact O-CB 3.37Å; Y193-C196 PolarHBondContact O-N 2.93Å; Y193-C196 VanDerWaalsContact O-N 3.09Å; C196-N198 VanDerWaalsContact C-N 3.26Å; C196-N198 PolarHBondContact O-N 2.74Å; C196-R461 VanDerWaalsContact O-CZ 3.25Å; C196-R461 PolarHBondContact O-NE 2.96Å; C196-R461 PolarHBondContact O-NH2 3.32Å; C196-C465 HydrophobicContact CB-CB 3.62Å; C196-C465 WeakPolarHBondContact CB-SG 3.49Å; C196-C465 PolarHBondContact O-SG 2.99Å; C196-C465 WeakPolarHBondContact SG-CA 3.47Å; C196-C465 WeakPolarHBondContact SG-CB 3.4Å; C196-C465 CovalentContact SG-SG 2.04Å; C196-C465 PolarHBondContact SG-SG 2.82Å; C196-Y561 HydrophobicContact CB-CD2 3.66Å; C196-Y561 HydrophobicContact CB-CE1 4.5Å; C196-Y561 HydrophobicContact CB-CE2 3.44Å; C196-Y561 VanDerWaalsContact CB-CE2 3.44Å; C196-Y561 HydrophobicContact CB-CG 4.32Å
197	M	98	Very high	97.6	Very high	62 Å²	62	43 Å²	43	31%	0.305	23%	0.23	S	C	.	.	H	α-helix	trans	-67.5	-21.9	-178.3	-74.9	-62.7	-72.3	0	0	114	Y193 N194 E199 R461 W462 C465	Y193-M197 HydrophobicContact CD1-CG 4.06Å; Y193-M197 HydrophobicContact CD2-CG 4.45Å; Y193-M197 HydrophobicContact CE1-CG 3.61Å; Y193-M197 HydrophobicContact CE1-SD 4.46Å; Y193-M197 HydrophobicContact CE2-CG 4.04Å; Y193-M197 HydrophobicContact CE2-SD 4.27Å; Y193-M197 HydrophobicContact CG-CG 4.46Å; Y193-M197 WeakPolarHBondContact O-CG 3.33Å; Y193-M197 PolarHBondContact O-N 3.44Å; N194-M197 PolarHBondContact O-N 3.35Å; M197-E199 PolarHBondContact O-N 3.22Å; M197-R461 HydrophobicContact SD-CG 4.21Å; M197-W462 HydrophobicContact CE-CB 3.94Å; M197-W462 WeakPolarHBondContact SD-CA 3.46Å; M197-W462 HydrophobicContact SD-CB 3.82Å; M197-C465 HydrophobicContact CG-CB 4.27Å; M197-C465 HydrophobicContact SD-CB 4.1Å
198	N	97.6	Very high	97.7	Very high	65 Å²	65	43.6 Å²	43.6	35%	0.348	23%	0.233	S	C	.	.			trans	-86.8	70.3	-174.2	-163.1	-15.8	0	0	0	112.9	N194 C196 S200 V201 I202	N194-N198 PolarHBondContact O-N 3.41Å; C196-N198 VanDerWaalsContact C-N 3.26Å; C196-N198 PolarHBondContact O-N 2.74Å; N198-S200 VanDerWaalsContact C-N 3.26Å; N198-S200 PolarHBondContact O-N 3.29Å; N198-V201 HydrophobicContact CB-CB 4.38Å; N198-V201 VanDerWaalsContact ND2-CG2 3.29Å; N198-V201 WeakPolarHBondContact ND2-CG2 3.4Å; N198-V201 PolarHBondContact O-N 2.86Å; N198-V201 VanDerWaalsContact O-N 3.09Å; N198-V201 WeakPolarHBondContact OD1-CG2 3.33Å; N198-V201 PolarHBondContact OD1-N 2.87Å; N198-I202 PolarHBondContact O-N 2.95Å; N198-I202 VanDerWaalsContact O-N 3.15Å
199	E	96.9	Very high	97.7	Very high	92 Å²	92	43.7 Å²	43.7	43%	0.43	23%	0.234	S	C	.	.	H	α-helix	trans	-54.9	-38.4	179.9	-65.9	-179.4	110.9	0	0	112.8	M197 V201 I202 D203 R461	M197-E199 PolarHBondContact O-N 3.22Å; E199-V201 VanDerWaalsContact C-N 3.33Å; E199-V201 PolarHBondContact O-N 3.49Å; E199-I202 PolarHBondContact O-N 3.08Å; E199-I202 VanDerWaalsContact O-N 3.1Å; E199-D203 WeakPolarHBondContact O-CB 3.27Å; E199-D203 PolarHBondContact O-N 3.08Å; E199-R461 HydrophobicContact CG-CG 3.82Å; E199-R461 WeakPolarHBondContact OE1-CD 3.38Å
200	S	97.5	Very high	97.7	Very high	92 Å²	92	43.7 Å²	43.7	64%	0.643	23%	0.234	S	C	*	.	H	α-helix	trans	-58.4	-41.5	176.8	-177.2	0	0	0	0	112.8	N198 S204	N198-S200 VanDerWaalsContact C-N 3.26Å; N198-S200 PolarHBondContact O-N 3.29Å; S200-S204 VanDerWaalsContact O-CB 3.23Å; S200-S204 WeakPolarHBondContact O-CB 3.25Å; S200-S204 PolarHBondContact O-N 3.48Å; S200-S204 PolarHBondContact O-OG 2.83Å
201	V	98	Very high	97.7	Very high	36 Å²	36	43.4 Å²	43.4	22%	0.218	23%	0.231	C	C	.	.	H	α-helix	trans	-69.3	-41.9	174.7	171	0	0	0	0	110.9	N198 E199 S204 R205 S559	N198-V201 HydrophobicContact CB-CB 4.38Å; N198-V201 VanDerWaalsContact ND2-CG2 3.29Å; N198-V201 WeakPolarHBondContact ND2-CG2 3.4Å; N198-V201 PolarHBondContact O-N 2.86Å; N198-V201 VanDerWaalsContact O-N 3.09Å; N198-V201 WeakPolarHBondContact OD1-CG2 3.33Å; N198-V201 PolarHBondContact OD1-N 2.87Å; E199-V201 VanDerWaalsContact C-N 3.33Å; E199-V201 PolarHBondContact O-N 3.49Å; V201-S204 PolarHBondContact O-N 2.87Å; V201-S204 PolarHBondContact O-OG 3.27Å; V201-R205 VanDerWaalsContact O-CG 3.24Å; V201-R205 WeakPolarHBondContact O-CG 3.37Å; V201-R205 PolarHBondContact O-N 2.89Å; V201-S559 WeakPolarHBondContact CG1-O 3.41Å
202	I	97.7	Very high	97.7	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.087	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-51.9	177.9	-63.9	165.1	0	0	0	110.6	N198 E199 S204 R205 K206 P438 Y561	N198-I202 PolarHBondContact O-N 2.95Å; N198-I202 VanDerWaalsContact O-N 3.15Å; E199-I202 PolarHBondContact O-N 3.08Å; E199-I202 VanDerWaalsContact O-N 3.1Å; I202-S204 PolarHBondContact O-N 3.16Å; I202-R205 PolarHBondContact O-N 3.37Å; I202-K206 PolarHBondContact O-N 2.91Å; I202-P438 HydrophobicContact CG2-CG 4.48Å; I202-Y561 HydrophobicContact CD1-CD1 3.51Å; I202-Y561 HydrophobicContact CD1-CE1 4.28Å; I202-Y561 HydrophobicContact CD1-CG 4.11Å; I202-Y561 HydrophobicContact CG1-CD1 4.16Å
203	D	97.4	Very high	97.6	Very high	57 Å²	57	46.5 Å²	46.5	31%	0.305	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-40	-179.5	-70.6	-23	0	0	0	111.9	E199 R205 K206 P438 K439	E199-D203 WeakPolarHBondContact O-CB 3.27Å; E199-D203 PolarHBondContact O-N 3.08Å; D203-R205 PolarHBondContact O-N 3Å; D203-K206 VanDerWaalsContact O-CG 3.3Å; D203-K206 WeakPolarHBondContact O-CG 3.27Å; D203-K206 PolarHBondContact O-N 2.95Å; D203-K206 VanDerWaalsContact O-N 3.1Å; D203-P438 VanDerWaalsContact OD1-CA 3.26Å; D203-P438 WeakPolarHBondContact OD1-CA 3.32Å; D203-P438 WeakPolarHBondContact OD1-CB 3.46Å; D203-K439 PolarHBondContact OD1-N 3.13Å
204	S	97.6	Very high	97.5	Very high	84 Å²	84	46.4 Å²	46.4	59%	0.587	25%	0.247	S	C	*	.	H	α-helix	trans	-61.1	-31.4	177.1	74.9	0	0	0	0	113.3	S200 V201 I202	S200-S204 VanDerWaalsContact O-CB 3.23Å; S200-S204 WeakPolarHBondContact O-CB 3.25Å; S200-S204 PolarHBondContact O-N 3.48Å; S200-S204 PolarHBondContact O-OG 2.83Å; V201-S204 PolarHBondContact O-N 2.87Å; V201-S204 PolarHBondContact O-OG 3.27Å; I202-S204 PolarHBondContact O-N 3.16Å
205	R	97.2	Very high	97.4	Very high	63 Å²	63	48.2 Å²	48.2	24%	0.238	25%	0.253	C	S	.	.	H	α-helix	trans	-80.3	-18	179	-66.3	175.6	80.4	-140.9	-2.6	112.7	V201 I202 D203 T208 P209 E563	V201-R205 VanDerWaalsContact O-CG 3.24Å; V201-R205 WeakPolarHBondContact O-CG 3.37Å; V201-R205 PolarHBondContact O-N 2.89Å; I202-R205 PolarHBondContact O-N 3.37Å; D203-R205 PolarHBondContact O-N 3Å; R205-T208 WeakPolarHBondContact O-CB 3.36Å; R205-T208 PolarHBondContact O-N 2.98Å; R205-T208 PolarHBondContact O-OG1 3.44Å; R205-P209 HydrophobicContact CB-CG 4.24Å; R205-E563 IonicContact CZ-OE1 2.7Å; R205-E563 IonicContact CZ-OE2 3.71Å; R205-E563 IonicContact NH1-OE1 2.6Å; R205-E563 IonicContact NH1-OE2 2.88Å; R205-E563 PolarHBondContact NH1-OE2 3.01Å; R205-E563 VanDerWaalsContact NH2-CD 3.27Å; R205-E563 IonicContact NH2-OE1 3.6Å; R205-E563 PolarHBondContact NH2-OE1 2.78Å; R205-E563 IonicContact NH2-OE2 3.65Å; R205-E563 PolarHBondContact NH2-OE2 3.25Å; R205-E563 VanDerWaalsContact NH2-OE2 3.14Å
206	K	96.1	Very high	97.2	Very high	145 Å²	145	54 Å²	54	63%	0.63	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	-145.9	179.8	-54	-173.1	179.7	-169.5	0	111.3	I202 D203 T208 P209	I202-K206 PolarHBondContact O-N 2.91Å; D203-K206 VanDerWaalsContact O-CG 3.3Å; D203-K206 WeakPolarHBondContact O-CG 3.27Å; D203-K206 PolarHBondContact O-N 2.95Å; D203-K206 VanDerWaalsContact O-N 3.1Å; K206-T208 PolarHBondContact O-N 3.38Å; K206-P209 VanDerWaalsContact O-CD 3.31Å; K206-P209 WeakPolarHBondContact O-CD 3.44Å
207	L	96.9	Very high	97	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.073	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	3.6	176.8	-56.9	-178.6	0	0	0	114.3	P209 L210 Y211 Y315 L318 L319 M437 V441	L207-P209 VanDerWaalsContact C-CD 3.47Å; L207-L210 WeakPolarHBondContact O-CB 3.48Å; L207-L210 PolarHBondContact O-N 3.33Å; L207-L210 VanDerWaalsContact O-N 3.14Å; L207-Y211 HydrophobicContact CB-CD2 4.16Å; L207-Y211 HydrophobicContact CB-CE1 4.48Å; L207-Y211 HydrophobicContact CB-CE2 3.72Å; L207-Y211 WeakPolarHBondContact O-CD2 3.21Å; L207-Y211 PolarHBondContact O-N 2.91Å; L207-Y315 HydrophobicContact CD2-CE2 4.43Å; L207-L318 HydrophobicContact CD1-CD2 4.21Å; L207-L318 HydrophobicContact CD1-CG 4.05Å; L207-L319 HydrophobicContact CD1-CD1 3.79Å; L207-L319 HydrophobicContact CD1-CG 4.05Å; L207-M437 HydrophobicContact CD2-SD 3.87Å; L207-V441 HydrophobicContact CD2-CG2 3.96Å
208	T	97.6	Very high	96.7	Very high	72 Å²	72	51.9 Å²	51.9	44%	0.442	27%	0.268	S	S	.	.	H	α-helix	trans	-55	-43.3	-178.1	-42.2	0	0	0	0	113.8	R205 K206 L210 Y211 N212	R205-T208 WeakPolarHBondContact O-CB 3.36Å; R205-T208 PolarHBondContact O-N 2.98Å; R205-T208 PolarHBondContact O-OG1 3.44Å; K206-T208 PolarHBondContact O-N 3.38Å; T208-L210 PolarHBondContact O-N 3.3Å; T208-Y211 PolarHBondContact O-N 2.85Å; T208-N212 VanDerWaalsContact O-CG 3.24Å; T208-N212 PolarHBondContact O-N 3.02Å; T208-N212 PolarHBondContact O-ND2 2.89Å
209	P	97.7	Very high	96.5	Very high	7 Å²	7	53 Å²	53	5%	0.045	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-43.5	176.7	-22.6	35.9	0	0	0	112.2	R205 K206 L207 N212 Y213 F562	R205-P209 HydrophobicContact CB-CG 4.24Å; K206-P209 VanDerWaalsContact O-CD 3.31Å; K206-P209 WeakPolarHBondContact O-CD 3.44Å; L207-P209 VanDerWaalsContact C-CD 3.47Å; P209-N212 PolarHBondContact O-N 3Å; P209-Y213 WeakPolarHBondContact O-CD2 3.27Å; P209-Y213 PolarHBondContact O-N 3.29Å; P209-Y213 VanDerWaalsContact O-N 3.09Å; P209-F562 HydrophobicContact CB-CB 3.89Å; P209-F562 HydrophobicContact CB-CD1 3.41Å; P209-F562 VanDerWaalsContact CB-CD1 3.41Å; P209-F562 HydrophobicContact CB-CE1 4.03Å; P209-F562 HydrophobicContact CB-CG 3.7Å; P209-F562 HydrophobicContact CG-CB 4.49Å
210	L	97.7	Very high	96.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-45.8	176.8	178.1	61.8	0	0	0	111.4	L207 T208 N212 Y213 I214 Y315 L319 F429 M430 M437 F562	L207-L210 WeakPolarHBondContact O-CB 3.48Å; L207-L210 PolarHBondContact O-N 3.33Å; L207-L210 VanDerWaalsContact O-N 3.14Å; T208-L210 PolarHBondContact O-N 3.3Å; L210-N212 VanDerWaalsContact C-N 3.35Å; L210-N212 PolarHBondContact O-N 3.15Å; L210-Y213 PolarHBondContact O-N 3.03Å; L210-I214 HydrophobicContact CD1-CD1 3.91Å; L210-I214 HydrophobicContact CD1-CG1 4.05Å; L210-I214 HydrophobicContact CD2-CD1 4.44Å; L210-I214 HydrophobicContact CG-CD1 3.81Å; L210-I214 HydrophobicContact CG-CG1 4.34Å; L210-I214 WeakPolarHBondContact O-CG1 3.33Å; L210-I214 PolarHBondContact O-N 3.14Å; L210-Y315 VanDerWaalsContact CD2-OH 3.27Å; L210-Y315 WeakPolarHBondContact CD2-OH 3.15Å; L210-L319 HydrophobicContact CD2-CD1 4.14Å; L210-L319 HydrophobicContact CD2-CD2 4.02Å; L210-L319 HydrophobicContact CD2-CG 4.43Å; L210-F429 HydrophobicContact CD1-CD1 4.14Å; L210-F429 HydrophobicContact CD1-CE1 3.87Å; L210-M430 HydrophobicContact CD1-CG 4.24Å; L210-M430 HydrophobicContact CD2-CG 4.36Å; L210-M437 HydrophobicContact CB-CE 4.24Å; L210-M437 HydrophobicContact CB-SD 4.29Å; L210-M437 HydrophobicContact CD2-SD 3.92Å; L210-F562 HydrophobicContact CB-CE2 4.47Å; L210-F562 HydrophobicContact CB-CZ 4.32Å; L210-F562 HydrophobicContact CD1-CE2 4.47Å; L210-F562 HydrophobicContact CD1-CZ 4.19Å
211	Y	98	Very high	96.2	Very high	31 Å²	31	44.2 Å²	44.2	12%	0.122	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-45.2	177.2	-68.6	-41	0	0	0	112.4	L207 T208 Y213 I214 K215 P229 A230 L319	L207-Y211 HydrophobicContact CB-CD2 4.16Å; L207-Y211 HydrophobicContact CB-CE1 4.48Å; L207-Y211 HydrophobicContact CB-CE2 3.72Å; L207-Y211 WeakPolarHBondContact O-CD2 3.21Å; L207-Y211 PolarHBondContact O-N 2.91Å; T208-Y211 PolarHBondContact O-N 2.85Å; Y211-Y213 VanDerWaalsContact C-N 3.3Å; Y211-Y213 PolarHBondContact O-N 2.73Å; Y211-I214 PolarHBondContact O-N 3.27Å; Y211-K215 WeakPolarHBondContact O-CB 3.39Å; Y211-K215 PolarHBondContact O-N 3.46Å; Y211-P229 HydrophobicContact CD2-CB 4.02Å; Y211-P229 HydrophobicContact CD2-CG 4.04Å; Y211-P229 HydrophobicContact CE2-CG 4.4Å; Y211-P229 HydrophobicContact CG-CB 4.13Å; Y211-A230 HydrophobicContact CD1-CB 3.59Å; Y211-A230 HydrophobicContact CG-CB 4.09Å; Y211-L319 HydrophobicContact CE1-CB 4.21Å; Y211-L319 HydrophobicContact CE1-CD2 4.19Å; Y211-L319 HydrophobicContact CE1-CG 3.89Å; Y211-L319 WeakPolarHBondContact OH-CA 3.47Å; Y211-L319 PolarHBondContact OH-O 2.04Å; Y211-L319 VanDerWaalsContact OH-O 3.08Å
212	N	97.3	Very high	95.8	Very high	88 Å²	88	44.3 Å²	44.3	47%	0.471	22%	0.222	S	C	.	.	H	α-helix	trans	-59.2	-42	177.2	-69.9	-17.5	0	0	0	111.5	T208 P209 L210 K215 K216	T208-N212 VanDerWaalsContact O-CG 3.24Å; T208-N212 PolarHBondContact O-N 3.02Å; T208-N212 PolarHBondContact O-ND2 2.89Å; P209-N212 PolarHBondContact O-N 3Å; L210-N212 VanDerWaalsContact C-N 3.35Å; L210-N212 PolarHBondContact O-N 3.15Å; N212-K215 PolarHBondContact O-N 2.85Å; N212-K216 VanDerWaalsContact O-CB 3.3Å; N212-K216 WeakPolarHBondContact O-CB 3.44Å; N212-K216 PolarHBondContact O-N 2.76Å
213	Y	97	Very high	95.6	Very high	18 Å²	18	43.8 Å²	43.8	7%	0.071	22%	0.219	C	C	.	.	H	α-helix	trans	-75.8	-36.5	179.3	-88.4	-97.8	0	0	0	113.7	P209 L210 Y211 K215 K216 I217 Y256 F429 F562 E563 L566	P209-Y213 WeakPolarHBondContact O-CD2 3.27Å; P209-Y213 PolarHBondContact O-N 3.29Å; P209-Y213 VanDerWaalsContact O-N 3.09Å; L210-Y213 PolarHBondContact O-N 3.03Å; Y211-Y213 VanDerWaalsContact C-N 3.3Å; Y211-Y213 PolarHBondContact O-N 2.73Å; Y213-K215 PolarHBondContact O-N 2.6Å; Y213-K216 HydrophobicContact CD1-CD 4.2Å; Y213-K216 HydrophobicContact CE1-CD 4.07Å; Y213-K216 PolarHBondContact O-N 3.2Å; Y213-I217 HydrophobicContact CD1-CD1 4.1Å; Y213-I217 WeakPolarHBondContact O-CB 3.42Å; Y213-I217 VanDerWaalsContact O-CG1 3.3Å; Y213-I217 WeakPolarHBondContact O-CG1 3.48Å; Y213-I217 PolarHBondContact O-N 3.4Å; Y213-Y256 HydrophobicContact CE1-CE1 4.19Å; Y213-Y256 AromaticContact CE1-CZ 3.88Å; Y213-F429 HydrophobicContact CD1-CZ 4.3Å; Y213-F429 HydrophobicContact CG-CZ 4.37Å; Y213-F562 HydrophobicContact CD2-CD1 4.3Å; Y213-F562 AromaticContact CD2-CE1 3.69Å; Y213-F562 HydrophobicContact CD2-CE1 3.69Å; Y213-F562 HydrophobicContact CE2-CE1 4.35Å; Y213-F562 AromaticContact CG-CE1 3.93Å; Y213-F562 HydrophobicContact CG-CE1 3.93Å; Y213-E563 HydrophobicContact CE2-CG 3.93Å; Y213-L566 HydrophobicContact CD1-CD1 3.44Å; Y213-L566 VanDerWaalsContact CD1-CD1 3.44Å; Y213-L566 HydrophobicContact CD2-CD1 4.18Å; Y213-L566 HydrophobicContact CE1-CD1 3.47Å; Y213-L566 VanDerWaalsContact CE1-CD1 3.47Å; Y213-L566 HydrophobicContact CE2-CD1 4.22Å; Y213-L566 HydrophobicContact CG-CD1 3.8Å
214	I	96.7	Very high	95.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59	-41.4	169.7	-70.4	173.3	0	0	0	110	L210 Y211 F218 G220 W221 A230 L319 V426 F429 M430	L210-I214 HydrophobicContact CD1-CD1 3.91Å; L210-I214 HydrophobicContact CD1-CG1 4.05Å; L210-I214 HydrophobicContact CD2-CD1 4.44Å; L210-I214 HydrophobicContact CG-CD1 3.81Å; L210-I214 HydrophobicContact CG-CG1 4.34Å; L210-I214 WeakPolarHBondContact O-CG1 3.33Å; L210-I214 PolarHBondContact O-N 3.14Å; Y211-I214 PolarHBondContact O-N 3.27Å; I214-F218 PolarHBondContact O-N 3.35Å; I214-G220 PolarHBondContact O-N 2.95Å; I214-W221 HydrophobicContact CG2-CB 3.91Å; I214-A230 HydrophobicContact CB-CB 4.2Å; I214-A230 HydrophobicContact CG2-CB 4.01Å; I214-L319 HydrophobicContact CD1-CD2 3.77Å; I214-V426 HydrophobicContact CD1-CG1 4.09Å; I214-V426 HydrophobicContact CG1-CG1 4.25Å; I214-V426 HydrophobicContact CG2-CG1 4.24Å; I214-F429 HydrophobicContact CG1-CD1 4.42Å; I214-M430 HydrophobicContact CD1-CG 4.12Å; I214-M430 HydrophobicContact CD1-SD 4.3Å
215	K	95.1	Very high	95.4	Very high	67 Å²	67	40 Å²	40	29%	0.291	20%	0.196	S	C	.	.	H	α-helix	trans	-66.2	-42.3	176.2	-164.5	65.5	-178.6	168.3	0	112.5	Y211 N212 Y213 N219 T231	Y211-K215 WeakPolarHBondContact O-CB 3.39Å; Y211-K215 PolarHBondContact O-N 3.46Å; N212-K215 PolarHBondContact O-N 2.85Å; Y213-K215 PolarHBondContact O-N 2.6Å; K215-N219 PolarHBondContact NZ-O 3.13Å; K215-N219 VanDerWaalsContact O-CA 3.25Å; K215-N219 WeakPolarHBondContact O-CA 3.47Å; K215-N219 PolarHBondContact O-N 2.84Å; K215-T231 PolarHBondContact NZ-O 3.04Å
216	K	94.1	Very high	95.1	Very high	123 Å²	123	42.9 Å²	42.9	54%	0.535	22%	0.22	S	C	.	.	H	α-helix	trans	-68.3	-41	179.4	-176.9	-172.5	-179.2	-168	0	113.7	N212 Y213 Y256	N212-K216 VanDerWaalsContact O-CB 3.3Å; N212-K216 WeakPolarHBondContact O-CB 3.44Å; N212-K216 PolarHBondContact O-N 2.76Å; Y213-K216 HydrophobicContact CD1-CD 4.2Å; Y213-K216 HydrophobicContact CE1-CD 4.07Å; Y213-K216 PolarHBondContact O-N 3.2Å; K216-Y256 PolarHBondContact NZ-OH 2.86Å
217	I	94.1	Very high	94.9	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-86.9	-43.1	-173.1	-64.4	172.8	0	0	0	111.2	Y213 P252 L253 Y256 F429	Y213-I217 HydrophobicContact CD1-CD1 4.1Å; Y213-I217 WeakPolarHBondContact O-CB 3.42Å; Y213-I217 VanDerWaalsContact O-CG1 3.3Å; Y213-I217 WeakPolarHBondContact O-CG1 3.48Å; Y213-I217 PolarHBondContact O-N 3.4Å; I217-P252 HydrophobicContact CB-CB 4.43Å; I217-P252 HydrophobicContact CG1-CB 4.48Å; I217-P252 HydrophobicContact CG2-CB 4.1Å; I217-L253 HydrophobicContact CG2-CB 4.18Å; I217-Y256 HydrophobicContact CD1-CD2 3.86Å; I217-Y256 HydrophobicContact CD1-CE2 3.68Å; I217-Y256 HydrophobicContact CG1-CE2 3.97Å; I217-F429 HydrophobicContact CD1-CD1 4.49Å; I217-F429 HydrophobicContact CD1-CD2 3.88Å; I217-F429 HydrophobicContact CD1-CE1 4.12Å; I217-F429 HydrophobicContact CD1-CE2 3.46Å; I217-F429 VanDerWaalsContact CD1-CE2 3.46Å; I217-F429 HydrophobicContact CD1-CG 4.38Å; I217-F429 HydrophobicContact CD1-CZ 3.6Å
218	F	93.2	Very high	94.9	Very high	11 Å²	11	40.1 Å²	40.1	5%	0.048	23%	0.23	C	C	.	.	H	α-helix	trans	-115.5	8.9	-167.7	-55.1	-70.6	0	0	0	114.3	I214 G220 M249 L253 H422 A425 V426 F429	I214-F218 PolarHBondContact O-N 3.35Å; F218-G220 PolarHBondContact O-N 2.9Å; F218-M249 HydrophobicContact CD1-CG 4.42Å; F218-L253 HydrophobicContact CE1-CB 4.38Å; F218-L253 HydrophobicContact CE1-CD2 4.33Å; F218-L253 HydrophobicContact CZ-CB 4.46Å; F218-L253 HydrophobicContact CZ-CD1 4.18Å; F218-L253 HydrophobicContact CZ-CD2 4.32Å; F218-H422 PolarHBondContact O-NE2 3.31Å; F218-H422 VanDerWaalsContact O-NE2 3.09Å; F218-A425 HydrophobicContact CD1-CB 4.28Å; F218-A425 HydrophobicContact CE1-CB 3.64Å; F218-A425 HydrophobicContact CZ-CB 4.3Å; F218-A425 VanDerWaalsContact CZ-O 3.27Å; F218-A425 WeakPolarHBondContact CZ-O 3.34Å; F218-V426 HydrophobicContact CB-CG2 3.96Å; F218-V426 HydrophobicContact CD1-CG2 4.21Å; F218-V426 HydrophobicContact CD2-CB 4.37Å; F218-V426 HydrophobicContact CD2-CG2 3.66Å; F218-V426 HydrophobicContact CE2-CB 4.43Å; F218-V426 HydrophobicContact CE2-CG2 4.15Å; F218-V426 HydrophobicContact CG-CG2 3.68Å; F218-F429 HydrophobicContact CE2-CB 3.76Å; F218-F429 HydrophobicContact CE2-CD1 4.19Å; F218-F429 HydrophobicContact CE2-CG 4.04Å; F218-F429 HydrophobicContact CZ-CB 3.86Å; F218-F429 HydrophobicContact CZ-CG 4.44Å
219	N	91.8	Very high	94.8	Very high	87 Å²	87	40.7 Å²	40.7	47%	0.465	24%	0.236	S	C	.	.	S	Bend	trans	58.7	18.4	-166.6	-94.5	-28.1	0	0	0	114.7	K215 Q233	K215-N219 PolarHBondContact NZ-O 3.13Å; K215-N219 VanDerWaalsContact O-CA 3.25Å; K215-N219 WeakPolarHBondContact O-CA 3.47Å; K215-N219 PolarHBondContact O-N 2.84Å; N219-Q233 PolarHBondContact O-N 2.91Å
220	G	93.6	Very high	94.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.01	23%	0.233	C	C	.	.	S	Bend	trans	99.6	168.5	-175.7	0	0	0	0	0	112.2	I214 F218 A230 H422	I214-G220 PolarHBondContact O-N 2.95Å; F218-G220 PolarHBondContact O-N 2.9Å; G220-A230 CarbonylContact C-O 3.42Å; G220-A230 WeakPolarHBondContact CA-O 3.4Å; G220-H422 PolarHBondContact O-CE1 2.85Å
221	W	95	Very high	94.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-101.5	126	179.8	-166.7	16.1	0	0	0	110.8	I214 L223 L224 A230 G232 L319 V321 I332 N423 V426 M430	I214-W221 HydrophobicContact CG2-CB 3.91Å; W221-L223 VanDerWaalsContact C-N 3.25Å; W221-L223 HydrophobicContact CD2-CB 4.23Å; W221-L223 HydrophobicContact CG-CB 4.43Å; W221-L223 HydrophobicContact CZ2-CB 4.46Å; W221-L223 HydrophobicContact CZ2-CD1 3.68Å; W221-L223 HydrophobicContact CZ2-CG 4.35Å; W221-L223 PolarHBondContact O-N 3.41Å; W221-L224 HydrophobicContact CB-CD1 3.87Å; W221-L224 HydrophobicContact CB-CG 4Å; W221-L224 HydrophobicContact CD2-CG 4.42Å; W221-L224 HydrophobicContact CE3-CD1 4.15Å; W221-L224 HydrophobicContact CE3-CD2 4.16Å; W221-L224 HydrophobicContact CE3-CG 4.01Å; W221-L224 HydrophobicContact CG-CG 4.44Å; W221-L224 PolarHBondContact O-N 2.92Å; W221-A230 PolarHBondContact N-O 3.5Å; W221-G232 PolarHBondContact O-N 3.31Å; W221-L319 HydrophobicContact CE3-CD2 4.23Å; W221-L319 HydrophobicContact CZ3-CD2 4.04Å; W221-V321 HydrophobicContact CE3-CG2 4.21Å; W221-V321 HydrophobicContact CH2-CG2 4.07Å; W221-V321 HydrophobicContact CZ3-CG2 3.84Å; W221-I332 HydrophobicContact CZ2-CD1 4.47Å; W221-N423 PolarHBondContact NE1-OD1 3.27Å; W221-V426 HydrophobicContact CB-CG1 4.22Å; W221-V426 HydrophobicContact CB-CG2 4.45Å; W221-V426 HydrophobicContact CD2-CB 4.36Å; W221-V426 HydrophobicContact CD2-CG1 3.64Å; W221-V426 HydrophobicContact CE3-CG1 3.95Å; W221-V426 HydrophobicContact CG-CB 4.3Å; W221-V426 HydrophobicContact CG-CG1 3.8Å; W221-V426 HydrophobicContact CG-CG2 4.17Å; W221-V426 HydrophobicContact CZ2-CG1 4.46Å; W221-M430 HydrophobicContact CE3-SD 4.14Å; W221-M430 HydrophobicContact CH2-CE 4.27Å; W221-M430 HydrophobicContact CH2-SD 3.81Å; W221-M430 HydrophobicContact CZ3-CE 4.01Å; W221-M430 HydrophobicContact CZ3-SD 3.5Å; W221-M430 VanDerWaalsContact CZ3-SD 3.5Å
222	L	90.3	Very high	94	Very high	37 Å²	37	40.2 Å²	40.2	19%	0.194	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.3	-179.5	-81.5	-171.6	0	0	0	113.9	L224 F239 R419	L222-L224 PolarHBondContact O-N 2.97Å; L222-F239 HydrophobicContact CD1-CD1 4.24Å; L222-F239 HydrophobicContact CD1-CD2 3.69Å; L222-F239 HydrophobicContact CD1-CE1 3.89Å; L222-F239 HydrophobicContact CD1-CE2 3.31Å; L222-F239 HydrophobicContact CD1-CG 4.18Å; L222-F239 HydrophobicContact CD1-CZ 3.43Å; L222-F239 VanDerWaalsContact CD1-CZ 3.43Å; L222-F239 HydrophobicContact CD2-CE2 4.02Å; L222-F239 HydrophobicContact CD2-CZ 4.46Å; L222-F239 HydrophobicContact CG-CE2 3.75Å; L222-F239 HydrophobicContact CG-CZ 3.75Å; L222-R419 HydrophobicContact CD1-CG 4.1Å
223	L	93.8	Very high	93.1	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.7	179.1	-60.3	-170	0	0	0	113.1	W221 V321 P322 E328 V329	W221-L223 VanDerWaalsContact C-N 3.25Å; W221-L223 HydrophobicContact CD2-CB 4.23Å; W221-L223 HydrophobicContact CG-CB 4.43Å; W221-L223 HydrophobicContact CZ2-CB 4.46Å; W221-L223 HydrophobicContact CZ2-CD1 3.68Å; W221-L223 HydrophobicContact CZ2-CG 4.35Å; W221-L223 PolarHBondContact O-N 3.41Å; L223-V321 HydrophobicContact CB-CB 4.47Å; L223-V321 HydrophobicContact CB-CG1 3.97Å; L223-V321 HydrophobicContact CB-CG2 3.74Å; L223-V321 HydrophobicContact CD1-CG1 4.43Å; L223-P322 WeakPolarHBondContact O-CD 3.28Å; L223-E328 HydrophobicContact CD1-CB 4.1Å; L223-E328 HydrophobicContact CD2-CB 3.74Å; L223-E328 HydrophobicContact CD2-CG 4.11Å; L223-E328 WeakPolarHBondContact CD2-OE2 3.39Å; L223-V329 HydrophobicContact CD1-CG2 3.95Å
224	L	96.1	Very high	91.7	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	27%	0.268	C	S	.	.	S	Bend	trans	-88.5	133	179.2	-60.5	178	0	0	0	110.6	W221 L222 N228 A230 L319 V321	W221-L224 HydrophobicContact CB-CD1 3.87Å; W221-L224 HydrophobicContact CB-CG 4Å; W221-L224 HydrophobicContact CD2-CG 4.42Å; W221-L224 HydrophobicContact CE3-CD1 4.15Å; W221-L224 HydrophobicContact CE3-CD2 4.16Å; W221-L224 HydrophobicContact CE3-CG 4.01Å; W221-L224 HydrophobicContact CG-CG 4.44Å; W221-L224 PolarHBondContact O-N 2.92Å; L222-L224 PolarHBondContact O-N 2.97Å; L224-N228 HydrophobicContact CB-CB 4.05Å; L224-A230 HydrophobicContact CD1-CB 3.68Å; L224-L319 HydrophobicContact CD2-CB 4.15Å; L224-L319 VanDerWaalsContact CD2-O 3.28Å; L224-L319 WeakPolarHBondContact CD2-O 3.47Å; L224-V321 HydrophobicContact CD2-CG2 3.71Å
225	P	94.3	Very high	90.8	Very high	59 Å²	59	51 Å²	51	38%	0.383	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-74.3	156.7	-175.3	32	-36.2	0	0	0	111.5	G227 N228 T231 G320 P322	P225-G227 PolarHBondContact O-N 3.42Å; P225-N228 WeakPolarHBondContact O-CB 3.29Å; P225-N228 PolarHBondContact O-N 2.76Å; P225-T231 PolarHBondContact O-OG1 3.28Å; P225-G320 WeakPolarHBondContact CD-O 3.43Å; P225-P322 HydrophobicContact CB-CG 4.43Å
226	T	91.3	Very high	89.5	Confident	123 Å²	123	52.1 Å²	52.1	76%	0.755	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	126	174.4	-53.5	0	0	0	0	111.6
227	G	92.4	Very high	88.8	Confident	76 Å²	76	49 Å²	49	78%	0.784	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.8	-11.9	-177.6	0	0	0	0	0	114	P225	P225-G227 PolarHBondContact O-N 3.42Å
228	N	96.1	Very high	88.1	Confident	25 Å²	25	51.2 Å²	51.2	13%	0.134	31%	0.31	C	S	.	.	S	Bend	trans	-71.1	139.8	169.2	-173	-69.9	0	0	0	110.9	L224 P225 A230 T231 L319	L224-N228 HydrophobicContact CB-CB 4.05Å; P225-N228 WeakPolarHBondContact O-CB 3.29Å; P225-N228 PolarHBondContact O-N 2.76Å; N228-A230 PolarHBondContact O-N 3.17Å; N228-A230 VanDerWaalsContact O-N 3.08Å; N228-A230 PolarHBondContact OD1-N 3.04Å; N228-T231 PolarHBondContact N-OG1 2.84Å; N228-T231 VanDerWaalsContact N-OG1 3.17Å; N228-T231 WeakPolarHBondContact O-CB 2.97Å; N228-T231 PolarHBondContact O-N 3.06Å; N228-T231 PolarHBondContact O-OG1 3.17Å; N228-L319 PolarHBondContact ND2-O 2.65Å
229	P	95.3	Very high	87.7	Confident	85 Å²	85	51.4 Å²	51.4	55%	0.552	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-28	178.8	-27.4	36	0	0	0	114.9	Y211	Y211-P229 HydrophobicContact CD2-CB 4.02Å; Y211-P229 HydrophobicContact CD2-CG 4.04Å; Y211-P229 HydrophobicContact CE2-CG 4.4Å; Y211-P229 HydrophobicContact CG-CB 4.13Å
230	A	96.3	Very high	87.7	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	16.1	178.4	0	0	0	0	0	114.7	Y211 I214 G220 W221 L224 N228 G232	Y211-A230 HydrophobicContact CD1-CB 3.59Å; Y211-A230 HydrophobicContact CG-CB 4.09Å; I214-A230 HydrophobicContact CB-CB 4.2Å; I214-A230 HydrophobicContact CG2-CB 4.01Å; G220-A230 CarbonylContact C-O 3.42Å; G220-A230 WeakPolarHBondContact CA-O 3.4Å; W221-A230 PolarHBondContact N-O 3.5Å; L224-A230 HydrophobicContact CD1-CB 3.68Å; N228-A230 PolarHBondContact O-N 3.17Å; N228-A230 VanDerWaalsContact O-N 3.08Å; N228-A230 PolarHBondContact OD1-N 3.04Å; A230-G232 PolarHBondContact O-N 3.37Å
231	T	94.5	Very high	87.6	Confident	21 Å²	21	54.9 Å²	54.9	13%	0.129	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-47.7	127.6	175.8	-49.5	0	0	0	0	110.8	K215 P225 N228	K215-T231 PolarHBondContact NZ-O 3.04Å; P225-T231 PolarHBondContact O-OG1 3.28Å; N228-T231 PolarHBondContact N-OG1 2.84Å; N228-T231 VanDerWaalsContact N-OG1 3.17Å; N228-T231 WeakPolarHBondContact O-CB 2.97Å; N228-T231 PolarHBondContact O-N 3.06Å; N228-T231 PolarHBondContact O-OG1 3.17Å
232	G	85.3	Confident	87.5	Confident	6 Å²	6	59.9 Å²	59.9	6%	0.062	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-57.9	149.5	170.9	0	0	0	0	0	112.3	W221 A230 Q234	W221-G232 PolarHBondContact O-N 3.31Å; A230-G232 PolarHBondContact O-N 3.37Å; G232-Q234 PolarHBondContact O-N 2.81Å
233	Q	78.1	Confident	87.6	Confident	97 Å²	97	63.3 Å²	63.3	45%	0.453	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-65.5	123.2	170.6	-72.8	-173.2	-3.9	0	0	109.8	N219 N235 L238	N219-Q233 PolarHBondContact O-N 2.91Å; Q233-N235 PolarHBondContact O-N 3.19Å; Q233-L238 HydrophobicContact CB-CD1 4.04Å; Q233-L238 WeakPolarHBondContact O-CD1 3.35Å
234	Q	69.1	Low	87.6	Confident	158 Å²	158	64.7 Å²	64.7	74%	0.738	37%	0.371	S	S	*	.			trans	-75.9	73.2	174.2	-70.7	-94.2	-10.6	0	0	109.7	G232	G232-Q234 PolarHBondContact O-N 2.81Å
235	N	76.7	Confident	87.5	Confident	79 Å²	79	67.2 Å²	67.2	42%	0.422	38%	0.384	S	S	.	.			trans	-119.5	115	172.4	175.8	8.2	0	0	0	109.1	Q233 D237 L238	Q233-N235 PolarHBondContact O-N 3.19Å; N235-D237 PolarHBondContact O-N 3.05Å; N235-D237 VanDerWaalsContact O-N 3.1Å; N235-D237 WeakPolarHBondContact OD1-CB 3.44Å; N235-D237 PolarHBondContact OD1-N 3.35Å; N235-L238 HydrophobicContact CB-CD1 3.87Å; N235-L238 HydrophobicContact CB-CG 3.95Å; N235-L238 WeakPolarHBondContact O-CB 3.29Å; N235-L238 PolarHBondContact O-N 3.26Å
236	A	67.5	Low	87.5	Confident	89 Å²	89	64.5 Å²	64.5	74%	0.736	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.8	-178.6	0	0	0	0	0	113.6
237	D	79.9	Confident	87.8	Confident	58 Å²	58	58.7 Å²	58.7	31%	0.31	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-19.6	176.8	-80.5	-25.2	0	0	0	114.3	N235 F239 R240 K243	N235-D237 PolarHBondContact O-N 3.05Å; N235-D237 VanDerWaalsContact O-N 3.1Å; N235-D237 WeakPolarHBondContact OD1-CB 3.44Å; N235-D237 PolarHBondContact OD1-N 3.35Å; D237-F239 VanDerWaalsContact C-N 3.27Å; D237-F239 PolarHBondContact O-N 3.35Å; D237-R240 PolarHBondContact O-N 3.16Å; D237-R240 VanDerWaalsContact OD1-CD 3.26Å; D237-R240 WeakPolarHBondContact OD1-CD 3.3Å; D237-R240 IonicContact OD1-NE 2.67Å; D237-R240 IonicContact OD1-NH1 3.35Å; D237-K243 HydrophobicContact CB-CD 3.77Å; D237-K243 IonicContact OD1-NZ 3.76Å; D237-K243 PolarHBondContact OD1-NZ 3.49Å; D237-K243 IonicContact OD2-NZ 3.39Å; D237-K243 PolarHBondContact OD2-NZ 3.15Å
238	L	80.2	Confident	87.9	Confident	54 Å²	54	59 Å²	59	28%	0.283	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.8	-172.1	-78.6	169.6	0	0	0	113.9	Q233 N235 F244	Q233-L238 HydrophobicContact CB-CD1 4.04Å; Q233-L238 WeakPolarHBondContact O-CD1 3.35Å; N235-L238 HydrophobicContact CB-CD1 3.87Å; N235-L238 HydrophobicContact CB-CG 3.95Å; N235-L238 WeakPolarHBondContact O-CB 3.29Å; N235-L238 PolarHBondContact O-N 3.26Å; L238-F244 WeakPolarHBondContact O-CD2 3.44Å
239	F	84.7	Confident	87.8	Confident	16 Å²	16	58.5 Å²	58.5	7%	0.07	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	12.5	-173.8	-62.2	-89.5	0	0	0	112.3	L222 D237 E415 I418 R419 H422	L222-F239 HydrophobicContact CD1-CD1 4.24Å; L222-F239 HydrophobicContact CD1-CD2 3.69Å; L222-F239 HydrophobicContact CD1-CE1 3.89Å; L222-F239 HydrophobicContact CD1-CE2 3.31Å; L222-F239 HydrophobicContact CD1-CG 4.18Å; L222-F239 HydrophobicContact CD1-CZ 3.43Å; L222-F239 VanDerWaalsContact CD1-CZ 3.43Å; L222-F239 HydrophobicContact CD2-CE2 4.02Å; L222-F239 HydrophobicContact CD2-CZ 4.46Å; L222-F239 HydrophobicContact CG-CE2 3.75Å; L222-F239 HydrophobicContact CG-CZ 3.75Å; D237-F239 VanDerWaalsContact C-N 3.27Å; D237-F239 PolarHBondContact O-N 3.35Å; F239-E415 HydrophobicContact CB-CG 3.76Å; F239-E415 WeakPolarHBondContact O-CA 3.49Å; F239-I418 HydrophobicContact CB-CG2 4.42Å; F239-I418 HydrophobicContact CD1-CG2 3.85Å; F239-I418 VanDerWaalsContact O-CD1 3.28Å; F239-I418 WeakPolarHBondContact O-CD1 3.19Å; F239-R419 HydrophobicContact CB-CG 4.27Å; F239-R419 HydrophobicContact CD1-CG 3.69Å; F239-R419 HydrophobicContact CE1-CG 4.36Å; F239-R419 HydrophobicContact CG-CG 3.99Å; F239-H422 HydrophobicContact CE1-CB 3.72Å; F239-H422 AromaticContact CE1-CD2 3.99Å; F239-H422 AromaticContact CE1-CG 3.76Å
240	R	90.8	Very high	87.8	Confident	98 Å²	98	54.5 Å²	54.5	37%	0.37	29%	0.286	S	S	.	.			trans	-75	129.1	176.6	-82.9	-177.8	62.7	154.3	-0.4	111.2	D237 D242 K243 F244	D237-R240 PolarHBondContact O-N 3.16Å; D237-R240 VanDerWaalsContact OD1-CD 3.26Å; D237-R240 WeakPolarHBondContact OD1-CD 3.3Å; D237-R240 IonicContact OD1-NE 2.67Å; D237-R240 IonicContact OD1-NH1 3.35Å; R240-D242 WeakPolarHBondContact CB-OD1 3.3Å; R240-D242 IonicContact CZ-OD1 2.74Å; R240-D242 IonicContact CZ-OD2 2.98Å; R240-D242 IonicContact NE-OD1 2.76Å; R240-D242 PolarHBondContact NE-OD1 2.94Å; R240-D242 IonicContact NE-OD2 2.72Å; R240-D242 VanDerWaalsContact NH2-CG 3.34Å; R240-D242 IonicContact NH2-OD1 3.47Å; R240-D242 PolarHBondContact NH2-OD1 3.48Å; R240-D242 VanDerWaalsContact NH2-OD1 3.16Å; R240-D242 IonicContact NH2-OD2 3.01Å; R240-D242 PolarHBondContact NH2-OD2 3.38Å; R240-D242 PolarHBondContact O-N 2.86Å; R240-D242 VanDerWaalsContact O-N 3.09Å; R240-K243 HydrophobicContact CB-CB 4.26Å; R240-K243 PolarHBondContact O-N 3.47Å; R240-F244 WeakPolarHBondContact O-CB 3.45Å; R240-F244 PolarHBondContact O-N 3.45Å
241	P	92.6	Very high	87.8	Confident	63 Å²	63	55.1 Å²	55.1	41%	0.409	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-28.3	177.1	-29.4	36.2	0	0	0	115.3	K413 I418	P241-K413 WeakPolarHBondContact CG-O 3.4Å; P241-I418 HydrophobicContact CB-CD1 4.19Å; P241-I418 HydrophobicContact CG-CD1 3.81Å
242	D	92.7	Very high	87.8	Confident	105 Å²	105	55.6 Å²	55.6	56%	0.561	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.5	178.1	61.8	-59.8	0	0	0	114.6	R240	R240-D242 WeakPolarHBondContact CB-OD1 3.3Å; R240-D242 IonicContact CZ-OD1 2.74Å; R240-D242 IonicContact CZ-OD2 2.98Å; R240-D242 IonicContact NE-OD1 2.76Å; R240-D242 PolarHBondContact NE-OD1 2.94Å; R240-D242 IonicContact NE-OD2 2.72Å; R240-D242 VanDerWaalsContact NH2-CG 3.34Å; R240-D242 IonicContact NH2-OD1 3.47Å; R240-D242 PolarHBondContact NH2-OD1 3.48Å; R240-D242 VanDerWaalsContact NH2-OD1 3.16Å; R240-D242 IonicContact NH2-OD2 3.01Å; R240-D242 PolarHBondContact NH2-OD2 3.38Å; R240-D242 PolarHBondContact O-N 2.86Å; R240-D242 VanDerWaalsContact O-N 3.09Å
243	K	91.8	Very high	88.2	Confident	108 Å²	108	55.5 Å²	55.5	47%	0.47	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-22.1	-174.8	-67.1	-176.8	176.6	176	0	115.1	D237 R240	D237-K243 HydrophobicContact CB-CD 3.77Å; D237-K243 IonicContact OD1-NZ 3.76Å; D237-K243 PolarHBondContact OD1-NZ 3.49Å; D237-K243 IonicContact OD2-NZ 3.39Å; D237-K243 PolarHBondContact OD2-NZ 3.15Å; R240-K243 HydrophobicContact CB-CB 4.26Å; R240-K243 PolarHBondContact O-N 3.47Å
244	F	93.3	Very high	89	Confident	37 Å²	37	51 Å²	51	16%	0.162	27%	0.27	C	S	.	.			trans	-77.5	121.2	-177.8	178.1	-95.7	0	0	0	112.2	L238 R240 L246 M249 L412 I418	L238-F244 WeakPolarHBondContact O-CD2 3.44Å; R240-F244 WeakPolarHBondContact O-CB 3.45Å; R240-F244 PolarHBondContact O-N 3.45Å; F244-L246 HydrophobicContact CE1-CB 3.85Å; F244-L246 HydrophobicContact CE1-CD1 3.82Å; F244-L246 HydrophobicContact CE1-CG 4.47Å; F244-L246 HydrophobicContact CZ-CD1 4.08Å; F244-M249 HydrophobicContact CE2-CB 4.3Å; F244-M249 HydrophobicContact CE2-SD 3.98Å; F244-M249 HydrophobicContact CZ-CB 4.1Å; F244-M249 HydrophobicContact CZ-CE 4.22Å; F244-M249 HydrophobicContact CZ-CG 4.49Å; F244-M249 HydrophobicContact CZ-SD 3.68Å; F244-L412 HydrophobicContact CD1-CD2 3.71Å; F244-L412 HydrophobicContact CE1-CD2 3.66Å; F244-I418 HydrophobicContact CB-CD1 4.26Å; F244-I418 HydrophobicContact CB-CG2 4.16Å; F244-I418 HydrophobicContact CD1-CD1 4.5Å; F244-I418 HydrophobicContact CD1-CG1 4.31Å; F244-I418 HydrophobicContact CD1-CG2 3.57Å; F244-I418 HydrophobicContact CD2-CG2 3.55Å; F244-I418 HydrophobicContact CE1-CG2 3.72Å; F244-I418 HydrophobicContact CE2-CG2 3.7Å; F244-I418 HydrophobicContact CG-CG2 3.47Å; F244-I418 VanDerWaalsContact CG-CG2 3.47Å; F244-I418 HydrophobicContact CZ-CG2 3.78Å
245	D	94.1	Very high	90.1	Very high	54 Å²	54	46.4 Å²	46.4	29%	0.289	25%	0.247	S	C	.	.			trans	-100.5	110.2	168.3	-176.1	-1.4	0	0	0	109.7	T247 D248 M249 K374	D245-T247 PolarHBondContact O-N 2.95Å; D245-T247 WeakPolarHBondContact OD1-CA 3.37Å; D245-T247 WeakPolarHBondContact OD1-CB 3.42Å; D245-T247 PolarHBondContact OD1-N 2.96Å; D245-T247 PolarHBondContact OD1-OG1 3.44Å; D245-D248 HydrophobicContact CB-CB 4.32Å; D245-D248 PolarHBondContact O-N 3.16Å; D245-M249 PolarHBondContact O-N 3Å; D245-K374 IonicContact OD2-NZ 3.18Å; D245-K374 PolarHBondContact OD2-NZ 3.21Å
246	L	95.9	Very high	90.7	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-30.1	175.9	-174.4	68.5	0	0	0	112	F244 M249 Y250 V369 L370 F408 L412 L421	F244-L246 HydrophobicContact CE1-CB 3.85Å; F244-L246 HydrophobicContact CE1-CD1 3.82Å; F244-L246 HydrophobicContact CE1-CG 4.47Å; F244-L246 HydrophobicContact CZ-CD1 4.08Å; L246-M249 HydrophobicContact CD1-CE 3.77Å; L246-M249 PolarHBondContact O-N 3.49Å; L246-Y250 HydrophobicContact CD1-CD2 4.11Å; L246-Y250 HydrophobicContact CD1-CE2 3.67Å; L246-Y250 HydrophobicContact CD2-CD2 4.45Å; L246-Y250 HydrophobicContact CD2-CE2 4.05Å; L246-Y250 HydrophobicContact CG-CD2 3.91Å; L246-Y250 HydrophobicContact CG-CE2 3.79Å; L246-Y250 PolarHBondContact O-N 3.12Å; L246-Y250 VanDerWaalsContact O-N 3.15Å; L246-V369 HydrophobicContact CD2-CB 4.34Å; L246-V369 HydrophobicContact CD2-CG2 4.19Å; L246-L370 HydrophobicContact CB-CD2 4.08Å; L246-L370 HydrophobicContact CD2-CD2 3.79Å; L246-L370 HydrophobicContact CD2-CG 4.49Å; L246-L370 HydrophobicContact CG-CD2 3.77Å; L246-F408 HydrophobicContact CD2-CD1 3.6Å; L246-F408 HydrophobicContact CD2-CE1 4.02Å; L246-L412 HydrophobicContact CB-CD2 4.24Å; L246-L412 HydrophobicContact CD2-CD1 4.22Å; L246-L421 HydrophobicContact CD1-CD1 4.17Å
247	T	96.6	Very high	91.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-51	176.9	-33.5	0	0	0	0	110.2	D245 M249 Y250 L251 N371 K374 L375	D245-T247 PolarHBondContact O-N 2.95Å; D245-T247 WeakPolarHBondContact OD1-CA 3.37Å; D245-T247 WeakPolarHBondContact OD1-CB 3.42Å; D245-T247 PolarHBondContact OD1-N 2.96Å; D245-T247 PolarHBondContact OD1-OG1 3.44Å; T247-M249 VanDerWaalsContact C-N 3.26Å; T247-M249 PolarHBondContact O-N 3.33Å; T247-Y250 PolarHBondContact O-N 2.83Å; T247-L251 HydrophobicContact CG2-CD2 4.42Å; T247-L251 HydrophobicContact CG2-CG 4.49Å; T247-L251 WeakPolarHBondContact O-CG 3.24Å; T247-L251 PolarHBondContact O-N 2.65Å; T247-N371 HydrophobicContact CG2-CB 4.2Å; T247-N371 PolarHBondContact OG1-N 3.22Å; T247-K374 HydrophobicContact CG2-CD 4.44Å; T247-L375 HydrophobicContact CG2-CB 4.09Å
248	D	94.7	Very high	92	Very high	82 Å²	82	37.3 Å²	37.3	44%	0.439	19%	0.188	S	C	.	.	H	α-helix	trans	-63.9	-31.2	-178	-79.8	-30.5	0	0	0	112.7	D245 P252 K374	D245-D248 HydrophobicContact CB-CB 4.32Å; D245-D248 PolarHBondContact O-N 3.16Å; D248-P252 WeakPolarHBondContact O-CD 3.3Å; D248-K374 WeakPolarHBondContact OD1-CE 3.18Å; D248-K374 IonicContact OD1-NZ 3.59Å; D248-K374 PolarHBondContact OD1-NZ 3.1Å; D248-K374 IonicContact OD2-NZ 3.63Å; D248-K374 PolarHBondContact OD2-NZ 3.39Å
249	M	93.4	Very high	92.7	Very high	14 Å²	14	35 Å²	35	7%	0.069	18%	0.176	C	C	.	.	H	α-helix	trans	-68.8	-35.7	172.4	-169.6	-174.1	75.7	0	0	112.5	F218 F244 D245 L246 T247 H422 A425	F218-M249 HydrophobicContact CD1-CG 4.42Å; F244-M249 HydrophobicContact CE2-CB 4.3Å; F244-M249 HydrophobicContact CE2-SD 3.98Å; F244-M249 HydrophobicContact CZ-CB 4.1Å; F244-M249 HydrophobicContact CZ-CE 4.22Å; F244-M249 HydrophobicContact CZ-CG 4.49Å; F244-M249 HydrophobicContact CZ-SD 3.68Å; D245-M249 PolarHBondContact O-N 3Å; L246-M249 HydrophobicContact CD1-CE 3.77Å; L246-M249 PolarHBondContact O-N 3.49Å; T247-M249 VanDerWaalsContact C-N 3.26Å; T247-M249 PolarHBondContact O-N 3.33Å; M249-H422 HydrophobicContact SD-CB 3.84Å; M249-A425 HydrophobicContact CE-CB 3.75Å; M249-A425 HydrophobicContact SD-CB 4.45Å
250	Y	95.8	Very high	93.2	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-90.3	-21.4	-177.1	-74.6	-30.4	0	0	0	115.3	L246 T247 L253 L254 T260 L370 F408 A425	L246-Y250 HydrophobicContact CD1-CD2 4.11Å; L246-Y250 HydrophobicContact CD1-CE2 3.67Å; L246-Y250 HydrophobicContact CD2-CD2 4.45Å; L246-Y250 HydrophobicContact CD2-CE2 4.05Å; L246-Y250 HydrophobicContact CG-CD2 3.91Å; L246-Y250 HydrophobicContact CG-CE2 3.79Å; L246-Y250 PolarHBondContact O-N 3.12Å; L246-Y250 VanDerWaalsContact O-N 3.15Å; T247-Y250 PolarHBondContact O-N 2.83Å; Y250-L253 HydrophobicContact CD1-CD2 3.99Å; Y250-L253 HydrophobicContact CE1-CD2 4.23Å; Y250-L253 PolarHBondContact O-N 3.15Å; Y250-L253 VanDerWaalsContact O-N 3.11Å; Y250-L254 WeakPolarHBondContact O-CB 3.49Å; Y250-L254 WeakPolarHBondContact O-CG 3.25Å; Y250-L254 PolarHBondContact O-N 3.37Å; Y250-T260 HydrophobicContact CD1-CG2 3.95Å; Y250-T260 HydrophobicContact CD2-CG2 3.7Å; Y250-T260 HydrophobicContact CE1-CG2 4.3Å; Y250-T260 HydrophobicContact CE2-CG2 4.08Å; Y250-T260 HydrophobicContact CG-CG2 3.65Å; Y250-L370 HydrophobicContact CD2-CD2 4.12Å; Y250-F408 AromaticContact CE2-CE1 3.89Å; Y250-F408 HydrophobicContact CE2-CE1 3.89Å; Y250-F408 HydrophobicContact CE2-CZ 4.42Å; Y250-F408 VanDerWaalsContact OH-CE1 3.31Å; Y250-F408 WeakPolarHBondContact OH-CE1 3.48Å; Y250-A425 HydrophobicContact CD1-CB 4.45Å; Y250-A425 HydrophobicContact CE1-CB 3.75Å
251	L	95.9	Very high	93.3	Very high	13 Å²	13	30 Å²	30	7%	0.068	16%	0.158	C	C	.	.	H	α-helix	trans	-49.1	-50.5	176.7	-73.5	-176.8	0	0	0	113	T247 L253 L375 Y378	T247-L251 HydrophobicContact CG2-CD2 4.42Å; T247-L251 HydrophobicContact CG2-CG 4.49Å; T247-L251 WeakPolarHBondContact O-CG 3.24Å; T247-L251 PolarHBondContact O-N 2.65Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L251-L253 PolarHBondContact O-N 3.41Å; L251-L375 HydrophobicContact CD2-CB 4.36Å; L251-L375 HydrophobicContact CD2-CG 4.43Å; L251-Y378 HydrophobicContact CB-CD1 4.14Å; L251-Y378 HydrophobicContact CB-CE1 4.05Å; L251-Y378 HydrophobicContact CB-CE2 4.48Å; L251-Y378 HydrophobicContact CB-CG 4.4Å; L251-Y378 HydrophobicContact CD1-CD2 4.08Å; L251-Y378 HydrophobicContact CD1-CG 4.12Å; L251-Y378 HydrophobicContact CD2-CD1 3.72Å; L251-Y378 HydrophobicContact CD2-CD2 4.49Å; L251-Y378 HydrophobicContact CD2-CE1 4.47Å; L251-Y378 HydrophobicContact CD2-CG 3.74Å; L251-Y378 HydrophobicContact CG-CD1 4.37Å; L251-Y378 HydrophobicContact CG-CG 4.3Å; L251-Y378 VanDerWaalsContact O-CE1 3.29Å; L251-Y378 WeakPolarHBondContact O-CE1 3.3Å
252	P	93.7	Very high	93.4	Very high	32 Å²	32	27 Å²	27	21%	0.208	14%	0.139	C	C	.	.	H	α-helix	trans	-77.8	-19	-176.5	-9.9	28.9	0	0	0	112.8	I217 D248 Y256	I217-P252 HydrophobicContact CB-CB 4.43Å; I217-P252 HydrophobicContact CG1-CB 4.48Å; I217-P252 HydrophobicContact CG2-CB 4.1Å; D248-P252 WeakPolarHBondContact O-CD 3.3Å; P252-Y256 WeakPolarHBondContact O-CD2 3.43Å; P252-Y256 WeakPolarHBondContact O-CE2 3.48Å
253	L	94.3	Very high	93.6	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-77.1	-51.2	175.3	174.5	59	0	0	0	110.9	I217 F218 Y250 L251 K255 Y256 S257 A425 F429	I217-L253 HydrophobicContact CG2-CB 4.18Å; F218-L253 HydrophobicContact CE1-CB 4.38Å; F218-L253 HydrophobicContact CE1-CD2 4.33Å; F218-L253 HydrophobicContact CZ-CB 4.46Å; F218-L253 HydrophobicContact CZ-CD1 4.18Å; F218-L253 HydrophobicContact CZ-CD2 4.32Å; Y250-L253 HydrophobicContact CD1-CD2 3.99Å; Y250-L253 HydrophobicContact CE1-CD2 4.23Å; Y250-L253 PolarHBondContact O-N 3.15Å; Y250-L253 VanDerWaalsContact O-N 3.11Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L251-L253 PolarHBondContact O-N 3.41Å; L253-K255 PolarHBondContact O-N 2.96Å; L253-K255 VanDerWaalsContact O-N 3.14Å; L253-Y256 PolarHBondContact O-N 3.08Å; L253-S257 PolarHBondContact O-N 2.81Å; L253-S257 PolarHBondContact O-OG 2.94Å; L253-S257 VanDerWaalsContact O-OG 3.11Å; L253-A425 HydrophobicContact CD2-CB 4.44Å; L253-F429 HydrophobicContact CD1-CB 4.09Å; L253-F429 HydrophobicContact CD1-CD2 4.04Å
254	L	95.5	Very high	93.8	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-51.8	-38.4	179.9	-79.9	166.8	0	0	0	112	Y250 Y256 S257 G258 T260 I265 L375 L379 F573	Y250-L254 WeakPolarHBondContact O-CB 3.49Å; Y250-L254 WeakPolarHBondContact O-CG 3.25Å; Y250-L254 PolarHBondContact O-N 3.37Å; L254-Y256 PolarHBondContact O-N 2.84Å; L254-Y256 VanDerWaalsContact O-N 3.14Å; L254-S257 PolarHBondContact O-N 3.11Å; L254-S257 VanDerWaalsContact O-N 3.09Å; L254-G258 PolarHBondContact O-N 3.24Å; L254-T260 HydrophobicContact CD1-CG2 4.44Å; L254-T260 HydrophobicContact CD2-CG2 3.76Å; L254-T260 HydrophobicContact CG-CG2 3.95Å; L254-I265 HydrophobicContact CD2-CD1 3.96Å; L254-L375 HydrophobicContact CD1-CD1 3.68Å; L254-L375 HydrophobicContact CD1-CD2 4.09Å; L254-L375 HydrophobicContact CD1-CG 3.79Å; L254-L379 HydrophobicContact CB-CD2 4.12Å; L254-F573 WeakPolarHBondContact O-CD1 3.33Å; L254-F573 WeakPolarHBondContact O-CE1 3.43Å
255	K	91.4	Very high	94	Very high	61 Å²	61	19.5 Å²	19.5	27%	0.265	10%	0.099	S	C	.	.	H	α-helix	trans	-50.4	-34.8	177	176.5	168.6	171.8	155.3	0	114.6	L253 Y378 E570	L253-K255 PolarHBondContact O-N 2.96Å; L253-K255 VanDerWaalsContact O-N 3.14Å; K255-Y378 HydrophobicContact CB-CE1 4.47Å; K255-E570 WeakPolarHBondContact CE-OE1 3.42Å; K255-E570 WeakPolarHBondContact CE-OE2 3.45Å; K255-E570 HydrophobicContact CG-CG 4.31Å; K255-E570 VanDerWaalsContact NZ-CD 3.3Å; K255-E570 IonicContact NZ-OE1 3.86Å; K255-E570 PolarHBondContact NZ-OE1 3.29Å; K255-E570 IonicContact NZ-OE2 3.47Å; K255-E570 PolarHBondContact NZ-OE2 3.21Å; K255-E570 WeakPolarHBondContact O-CA 3.48Å
256	Y	89.8	Confident	94.1	Very high	13 Å²	13	20 Å²	20	5%	0.051	10%	0.101	C	C	.	.	H	α-helix	trans	-104.3	-3.6	-179.1	-50.9	-76.8	0	0	0	113.6	Y213 K216 I217 P252 L253 L254 L566 S569 E570	Y213-Y256 HydrophobicContact CE1-CE1 4.19Å; Y213-Y256 AromaticContact CE1-CZ 3.88Å; K216-Y256 PolarHBondContact NZ-OH 2.86Å; I217-Y256 HydrophobicContact CD1-CD2 3.86Å; I217-Y256 HydrophobicContact CD1-CE2 3.68Å; I217-Y256 HydrophobicContact CG1-CE2 3.97Å; P252-Y256 WeakPolarHBondContact O-CD2 3.43Å; P252-Y256 WeakPolarHBondContact O-CE2 3.48Å; L253-Y256 PolarHBondContact O-N 3.08Å; L254-Y256 PolarHBondContact O-N 2.84Å; L254-Y256 VanDerWaalsContact O-N 3.14Å; Y256-L566 HydrophobicContact CD1-CB 3.99Å; Y256-L566 HydrophobicContact CE1-CB 4.34Å; Y256-L566 HydrophobicContact CG-CD2 4.42Å; Y256-S569 VanDerWaalsContact O-CB 3.32Å; Y256-S569 WeakPolarHBondContact O-CB 3.42Å; Y256-E570 HydrophobicContact CD1-CB 4.2Å
257	S	83.2	Confident	94.1	Very high	19 Å²	19	20.4 Å²	20.4	13%	0.133	10%	0.104	C	C	.	.	H	α-helix	trans	-132.9	-25.3	-163.6	74.5	0	0	0	0	115.3	L253 L254 A259 K432	L253-S257 PolarHBondContact O-N 2.81Å; L253-S257 PolarHBondContact O-OG 2.94Å; L253-S257 VanDerWaalsContact O-OG 3.11Å; L254-S257 PolarHBondContact O-N 3.11Å; L254-S257 VanDerWaalsContact O-N 3.09Å; S257-A259 WeakPolarHBondContact O-CB 3.18Å; S257-A259 PolarHBondContact O-N 3.19Å; S257-A259 VanDerWaalsContact O-N 3.13Å; S257-A259 PolarHBondContact OG-N 3.33Å; S257-A259 PolarHBondContact OG-O 2.93Å; S257-K432 PolarHBondContact O-NZ 2.78Å
258	G	92.6	Very high	94	Very high	4 Å²	4	21.1 Å²	21.1	4%	0.041	11%	0.112	C	C	.	.	S	Bend	trans	57.1	11.7	-163.4	0	0	0	0	0	114.2	L254 R264 I265 F573	L254-G258 PolarHBondContact O-N 3.24Å; G258-R264 CarbonylContact O-C 3.57Å; G258-R264 WeakPolarHBondContact O-CA 3.36Å; G258-I265 PolarHBondContact O-N 3.35Å; G258-F573 VanDerWaalsContact CA-CE2 3.43Å; G258-F573 VanDerWaalsContact CA-CZ 3.49Å
259	A	94.5	Very high	94	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.033	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-143.3	138.9	-158	0	0	0	0	0	113.8	S257 R264	S257-A259 WeakPolarHBondContact O-CB 3.18Å; S257-A259 PolarHBondContact O-N 3.19Å; S257-A259 VanDerWaalsContact O-N 3.13Å; S257-A259 PolarHBondContact OG-N 3.33Å; S257-A259 PolarHBondContact OG-O 2.93Å; A259-R264 HydrophobicContact CB-CG 3.79Å
260	T	94.5	Very high	94.1	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.018	9%	0.093	C	C	.	.			trans	-131.1	169.6	166	62.7	0	0	0	0	109.2	Y250 L254 L262 S263 G284 Y285	Y250-T260 HydrophobicContact CD1-CG2 3.95Å; Y250-T260 HydrophobicContact CD2-CG2 3.7Å; Y250-T260 HydrophobicContact CE1-CG2 4.3Å; Y250-T260 HydrophobicContact CE2-CG2 4.08Å; Y250-T260 HydrophobicContact CG-CG2 3.65Å; L254-T260 HydrophobicContact CD1-CG2 4.44Å; L254-T260 HydrophobicContact CD2-CG2 3.76Å; L254-T260 HydrophobicContact CG-CG2 3.95Å; T260-L262 PolarHBondContact O-N 2.82Å; T260-L262 PolarHBondContact OG1-N 3.34Å; T260-S263 PolarHBondContact N-O 2.83Å; T260-S263 PolarHBondContact O-N 3.03Å; T260-S263 PolarHBondContact OG1-N 3.23Å; T260-S263 PolarHBondContact OG1-O 3.4Å; T260-S263 VanDerWaalsContact OG1-O 3.05Å; T260-G284 WeakPolarHBondContact O-CA 3.46Å; T260-Y285 PolarHBondContact O-N 2.98Å
261	P	92.3	Very high	94.1	Very high	7 Å²	7	19 Å²	19	5%	0.045	10%	0.099	C	C	.	.	S	Bend	trans	-64.9	-14.1	169.5	-20.2	33	0	0	0	114.1	F335 F408	P261-F335 HydrophobicContact CB-CE1 3.99Å; P261-F335 HydrophobicContact CB-CZ 4.42Å; P261-F335 HydrophobicContact CG-CE1 4.34Å; P261-F408 HydrophobicContact CB-CZ 4.13Å
262	L	95.6	Very high	94.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-79.1	-50.5	174.7	178.4	63	0	0	0	111.8	T260 V369 L370 W372 F401 R404 C405 F408	T260-L262 PolarHBondContact O-N 2.82Å; T260-L262 PolarHBondContact OG1-N 3.34Å; L262-V369 HydrophobicContact CD2-CG2 4.11Å; L262-L370 HydrophobicContact CD2-CD1 3.72Å; L262-L370 HydrophobicContact CD2-CG 4.31Å; L262-W372 HydrophobicContact CD2-CH2 4.22Å; L262-W372 HydrophobicContact CD2-CZ2 4.27Å; L262-F401 HydrophobicContact CG-CE2 4.4Å; L262-R404 HydrophobicContact CD1-CB 3.87Å; L262-R404 PolarHBondContact O-NE 2.91Å; L262-C405 HydrophobicContact CD1-CB 4.24Å; L262-F408 HydrophobicContact CB-CD2 4.19Å; L262-F408 HydrophobicContact CB-CE2 3.65Å; L262-F408 HydrophobicContact CB-CZ 3.85Å; L262-F408 HydrophobicContact CD1-CD2 3.84Å; L262-F408 HydrophobicContact CD1-CE2 4.1Å; L262-F408 HydrophobicContact CG-CE2 4.45Å
263	S	95.9	Very high	94.2	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	158.7	-178.6	59.1	0	0	0	0	111.8	T260 V282	T260-S263 PolarHBondContact N-O 2.83Å; T260-S263 PolarHBondContact O-N 3.03Å; T260-S263 PolarHBondContact OG1-N 3.23Å; T260-S263 PolarHBondContact OG1-O 3.4Å; T260-S263 VanDerWaalsContact OG1-O 3.05Å; S263-V282 WeakPolarHBondContact CA-O 3.41Å; S263-V282 WeakPolarHBondContact CB-O 3.47Å
264	R	96.8	Very high	94.2	Very high	87 Å²	87	24.1 Å²	24.1	33%	0.328	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	145.8	161.4	-61.2	176.2	-68.1	152.1	2.7	109.3	G258 A259 L281 V282 E283	G258-R264 CarbonylContact O-C 3.57Å; G258-R264 WeakPolarHBondContact O-CA 3.36Å; A259-R264 HydrophobicContact CB-CG 3.79Å; R264-L281 WeakPolarHBondContact O-CA 3.32Å; R264-V282 HydrophobicContact CB-CG2 3.73Å; R264-V282 PolarHBondContact N-O 3.09Å; R264-V282 VanDerWaalsContact N-O 3.15Å; R264-V282 PolarHBondContact O-N 3.45Å; R264-V282 VanDerWaalsContact O-N 3.13Å; R264-E283 WeakPolarHBondContact CG-O 3.04Å; R264-E283 IonicContact CZ-OE2 3.69Å; R264-E283 PolarHBondContact NE-O 3.09Å; R264-E283 IonicContact NH2-OE1 3.89Å; R264-E283 IonicContact NH2-OE2 2.92Å; R264-E283 PolarHBondContact NH2-OE2 2.99Å
265	I	97.8	Very high	94.2	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.9	177.4	-57.8	175.3	0	0	0	107.1	L254 G258 I279 D280 L281 L375 F376 L379 F573 L577	L254-I265 HydrophobicContact CD2-CD1 3.96Å; G258-I265 PolarHBondContact O-N 3.35Å; I265-I279 HydrophobicContact CG2-CG2 3.92Å; I265-D280 WeakPolarHBondContact CA-O 3.48Å; I265-L281 HydrophobicContact CG1-CD2 3.8Å; I265-L375 HydrophobicContact CD1-CD2 3.76Å; I265-F376 HydrophobicContact CD1-CE1 4.14Å; I265-F376 HydrophobicContact CD1-CZ 4.42Å; I265-F376 HydrophobicContact CG2-CE1 4.05Å; I265-L379 HydrophobicContact CD1-CD1 3.68Å; I265-F573 HydrophobicContact CB-CE2 4.38Å; I265-F573 HydrophobicContact CB-CZ 4.21Å; I265-F573 HydrophobicContact CG2-CE2 4.46Å; I265-F573 HydrophobicContact CG2-CZ 4.28Å; I265-L577 HydrophobicContact CG2-CD2 4.37Å
266	L	96.3	Very high	94.3	Very high	64 Å²	64	30 Å²	30	34%	0.335	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	177.9	171	-60.4	172.2	0	0	0	108.7	D280 V282 I576	L266-D280 HydrophobicContact CB-CB 4.12Å; L266-D280 PolarHBondContact N-O 3.4Å; L266-D280 PolarHBondContact O-N 3.26Å; L266-V282 HydrophobicContact CD1-CG1 4.37Å; L266-V282 HydrophobicContact CD1-CG2 4.01Å; L266-I576 HydrophobicContact CD2-CD1 4.43Å
267	V	96.3	Very high	94.6	Very high	12 Å²	12	30.1 Å²	30.1	7%	0.073	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.2	168.8	175	0	0	0	0	106.6	F277 V278 I576 L577 E579 L580	V267-F277 HydrophobicContact CG1-CB 4.37Å; V267-F277 HydrophobicContact CG1-CD1 4.15Å; V267-V278 WeakPolarHBondContact CA-O 3.45Å; V267-V278 WeakPolarHBondContact CG1-O 3.03Å; V267-I576 HydrophobicContact CB-CG2 4.28Å; V267-I576 WeakPolarHBondContact CB-O 3.32Å; V267-I576 HydrophobicContact CG2-CG2 4.42Å; V267-I576 WeakPolarHBondContact CG2-O 3.5Å; V267-L577 HydrophobicContact CG2-CD2 4.31Å; V267-E579 HydrophobicContact CB-CB 4.38Å; V267-E579 HydrophobicContact CG1-CB 3.83Å; V267-L580 HydrophobicContact CG1-CB 3.81Å; V267-L580 HydrophobicContact CG1-CD1 4.42Å; V267-L580 HydrophobicContact CG2-CB 4.42Å
268	G	94.4	Very high	95.2	Very high	16 Å²	16	29.2 Å²	29.2	17%	0.165	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	177.8	-177.1	0	0	0	0	0	111.3	F277 V278 D280	G268-F277 CarbonylContact O-C 3.53Å; G268-F277 WeakPolarHBondContact O-CA 3.42Å; G268-V278 PolarHBondContact N-O 3.41Å; G268-V278 PolarHBondContact O-N 2.83Å; G268-D280 WeakPolarHBondContact CA-OD2 3.24Å; G268-D280 PolarHBondContact N-OD2 3.23Å
269	Q	94.7	Very high	95.5	Very high	26 Å²	26	29 Å²	29	12%	0.121	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	139.5	172.9	-67.2	177.6	-92.2	0	0	110.2	Q271 S274 R276 F277 N602	Q269-Q271 PolarHBondContact O-N 3.19Å; Q269-S274 PolarHBondContact NE2-O 3.27Å; Q269-R276 WeakPolarHBondContact CA-O 3.33Å; Q269-F277 HydrophobicContact CG-CD2 4.36Å; Q269-F277 HydrophobicContact CG-CE1 4.2Å; Q269-F277 HydrophobicContact CG-CE2 3.93Å; Q269-F277 HydrophobicContact CG-CZ 3.86Å; Q269-N602 HydrophobicContact CB-CB 3.71Å; Q269-N602 HydrophobicContact CG-CB 4.34Å; Q269-N602 PolarHBondContact NE2-O 3Å; Q269-N602 VanDerWaalsContact NE2-O 3.13Å
270	D	96	Very high	95.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	124.5	173	179.4	-34.9	0	0	0	109.8	M272 N273 S274 R276 V278 L357	D270-M272 PolarHBondContact O-N 3.11Å; D270-M272 VanDerWaalsContact O-N 3.17Å; D270-M272 WeakPolarHBondContact OD1-CA 3.47Å; D270-M272 PolarHBondContact OD1-N 3.5Å; D270-N273 HydrophobicContact CB-CB 4.39Å; D270-N273 WeakPolarHBondContact CB-O 3.19Å; D270-N273 CarbonylContact O-C 3.59Å; D270-N273 PolarHBondContact O-N 3.46Å; D270-N273 PolarHBondContact OD1-N 3.35Å; D270-S274 PolarHBondContact O-N 3.07Å; D270-R276 HydrophobicContact CB-CG 3.86Å; D270-R276 PolarHBondContact N-O 3.39Å; D270-R276 IonicContact OD2-CZ 2.74Å; D270-R276 IonicContact OD2-NE 2.7Å; D270-R276 PolarHBondContact OD2-NE 3.16Å; D270-R276 IonicContact OD2-NH2 3.92Å; D270-R276 PolarHBondContact OD2-NH2 3.4Å; D270-V278 HydrophobicContact CB-CG1 3.85Å; D270-V278 HydrophobicContact CB-CG2 4.08Å; D270-L357 WeakPolarHBondContact OD2-CD1 3.42Å
271	Q	95.6	Very high	95.8	Very high	25 Å²	25	29.2 Å²	29.2	12%	0.117	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-30.8	-173.8	-70.9	-173.8	-14.2	0	0	112.4	Q269 P351 Y355 H396 N602 F650 M656	Q269-Q271 PolarHBondContact O-N 3.19Å; Q271-P351 PolarHBondContact OE1-O 2.77Å; Q271-Y355 HydrophobicContact CB-CE1 4.03Å; Q271-Y355 HydrophobicContact CB-CE2 3.96Å; Q271-Y355 HydrophobicContact CG-CD2 4.44Å; Q271-Y355 HydrophobicContact CG-CE2 3.81Å; Q271-Y355 PolarHBondContact N-OH 3.38Å; Q271-Y355 VanDerWaalsContact OE1-CD2 3.24Å; Q271-H396 PolarHBondContact NE2-CE1 2.96Å; Q271-N602 WeakPolarHBondContact CA-ND2 3.19Å; Q271-F650 HydrophobicContact CB-CE1 4.25Å; Q271-F650 HydrophobicContact CG-CE1 4.44Å; Q271-M656 HydrophobicContact CB-CB 4.41Å; Q271-M656 HydrophobicContact CB-CE 4Å; Q271-M656 WeakPolarHBondContact O-CB 3.32Å; Q271-M656 PolarHBondContact O-N 2.99Å
272	M	95.5	Very high	96	Very high	93 Å²	93	29.5 Å²	29.5	46%	0.458	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-11.9	178.8	-64.7	179.6	171.4	0	0	113.2	D270 Y355 M656	D270-M272 PolarHBondContact O-N 3.11Å; D270-M272 VanDerWaalsContact O-N 3.17Å; D270-M272 WeakPolarHBondContact OD1-CA 3.47Å; D270-M272 PolarHBondContact OD1-N 3.5Å; M272-Y355 HydrophobicContact CE-CD1 4.01Å; M272-Y355 HydrophobicContact CG-CD1 4.39Å; M272-Y355 HydrophobicContact CG-CE1 4.24Å; M272-Y355 HydrophobicContact SD-CD1 4.3Å; M272-Y355 HydrophobicContact SD-CE1 4.46Å; M272-M656 HydrophobicContact CE-CE 3.95Å; M272-M656 HydrophobicContact CG-CE 4.21Å
273	N	95.7	Very high	95.9	Very high	46 Å²	46	31.2 Å²	31.2	25%	0.246	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	84.9	177.9	-179.3	19.9	0	0	0	112.3	D270 S275 R276 N655	D270-N273 HydrophobicContact CB-CB 4.39Å; D270-N273 WeakPolarHBondContact CB-O 3.19Å; D270-N273 CarbonylContact O-C 3.59Å; D270-N273 PolarHBondContact O-N 3.46Å; D270-N273 PolarHBondContact OD1-N 3.35Å; N273-S275 PolarHBondContact ND2-OG 2.88Å; N273-S275 PolarHBondContact O-N 2.8Å; N273-S275 PolarHBondContact OD1-N 2.73Å; N273-S275 PolarHBondContact OD1-OG 2.85Å; N273-R276 HydrophobicContact CB-CG 4.46Å; N273-R276 PolarHBondContact O-N 2.75Å; N273-N655 VanDerWaalsContact CA-OD1 3.26Å; N273-N655 WeakPolarHBondContact CA-OD1 3.19Å
274	S	94.9	Very high	95.7	Very high	19 Å²	19	31.3 Å²	31.3	13%	0.133	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	-13.4	-176.4	59	0	0	0	0	115.8	Q269 D270 R276 N602 K653 N655	Q269-S274 PolarHBondContact NE2-O 3.27Å; D270-S274 PolarHBondContact O-N 3.07Å; S274-R276 VanDerWaalsContact C-N 3.27Å; S274-R276 PolarHBondContact O-N 3.13Å; S274-N602 WeakPolarHBondContact CB-O 3.34Å; S274-K653 WeakPolarHBondContact CB-O 3.49Å; S274-K653 PolarHBondContact OG-O 2.83Å; S274-N655 PolarHBondContact N-OD1 3.32Å; S274-N655 PolarHBondContact OG-OD1 3.3Å
275	S	93.7	Very high	95.4	Very high	95 Å²	95	29.3 Å²	29.3	66%	0.664	16%	0.156	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	-2.6	178	68.5	0	0	0	0	115.3	N273	N273-S275 PolarHBondContact ND2-OG 2.88Å; N273-S275 PolarHBondContact O-N 2.8Å; N273-S275 PolarHBondContact OD1-N 2.73Å; N273-S275 PolarHBondContact OD1-OG 2.85Å
276	R	93.8	Very high	95.3	Very high	91 Å²	91	30.5 Å²	30.5	34%	0.343	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.4	176.3	65.2	176.2	174.7	-136.4	-0.8	112	Q269 D270 N273 S274	Q269-R276 WeakPolarHBondContact CA-O 3.33Å; D270-R276 HydrophobicContact CB-CG 3.86Å; D270-R276 PolarHBondContact N-O 3.39Å; D270-R276 IonicContact OD2-CZ 2.74Å; D270-R276 IonicContact OD2-NE 2.7Å; D270-R276 PolarHBondContact OD2-NE 3.16Å; D270-R276 IonicContact OD2-NH2 3.92Å; D270-R276 PolarHBondContact OD2-NH2 3.4Å; N273-R276 HydrophobicContact CB-CG 4.46Å; N273-R276 PolarHBondContact O-N 2.75Å; S274-R276 VanDerWaalsContact C-N 3.27Å; S274-R276 PolarHBondContact O-N 3.13Å
277	F	96	Very high	95.3	Very high	15 Å²	15	27.9 Å²	27.9	7%	0.066	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	150.2	167.1	-73.9	-113.4	0	0	0	111.5	V267 G268 Q269 E579 L580 Q583 P585	V267-F277 HydrophobicContact CG1-CB 4.37Å; V267-F277 HydrophobicContact CG1-CD1 4.15Å; G268-F277 CarbonylContact O-C 3.53Å; G268-F277 WeakPolarHBondContact O-CA 3.42Å; Q269-F277 HydrophobicContact CG-CD2 4.36Å; Q269-F277 HydrophobicContact CG-CE1 4.2Å; Q269-F277 HydrophobicContact CG-CE2 3.93Å; Q269-F277 HydrophobicContact CG-CZ 3.86Å; F277-E579 HydrophobicContact CD1-CB 4.21Å; F277-E579 HydrophobicContact CE1-CB 4.23Å; F277-L580 HydrophobicContact CB-CD1 4.04Å; F277-L580 WeakPolarHBondContact O-CD1 3.03Å; F277-Q583 HydrophobicContact CB-CG 4.09Å; F277-Q583 HydrophobicContact CD2-CB 3.65Å; F277-Q583 HydrophobicContact CD2-CG 3.9Å; F277-Q583 HydrophobicContact CE2-CB 4.08Å; F277-Q583 HydrophobicContact CG-CB 4.43Å; F277-Q583 HydrophobicContact CG-CG 4.23Å; F277-P585 HydrophobicContact CE2-CB 4.4Å
278	V	97.5	Very high	95.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	164.5	178.2	-67.6	0	0	0	0	110.2	V267 G268 D270 V392 A394	V267-V278 WeakPolarHBondContact CA-O 3.45Å; V267-V278 WeakPolarHBondContact CG1-O 3.03Å; G268-V278 PolarHBondContact N-O 3.41Å; G268-V278 PolarHBondContact O-N 2.83Å; D270-V278 HydrophobicContact CB-CG1 3.85Å; D270-V278 HydrophobicContact CB-CG2 4.08Å; V278-V392 HydrophobicContact CG1-CB 3.91Å; V278-V392 HydrophobicContact CG1-CG1 3.73Å; V278-A394 HydrophobicContact CG2-CB 4.04Å
279	I	98.2	Very high	95.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.5	170.8	-58.6	177.3	0	0	0	107.8	I265 F376 Y380 L387 Q391 V392 I393 A394 L580	I265-I279 HydrophobicContact CG2-CG2 3.92Å; I279-F376 HydrophobicContact CD1-CD1 4.06Å; I279-F376 HydrophobicContact CD1-CE1 3.9Å; I279-F376 HydrophobicContact CD1-CZ 4.39Å; I279-F376 HydrophobicContact CG2-CE1 3.75Å; I279-F376 HydrophobicContact CG2-CZ 3.83Å; I279-Y380 HydrophobicContact CD1-CE2 4.17Å; I279-L387 HydrophobicContact CD1-CD1 3.8Å; I279-L387 HydrophobicContact CD1-CD2 4.13Å; I279-Q391 HydrophobicContact CD1-CG 4.18Å; I279-V392 PolarHBondContact N-O 3.08Å; I279-I393 HydrophobicContact CB-CD1 3.78Å; I279-I393 HydrophobicContact CD1-CD1 3.91Å; I279-I393 HydrophobicContact CG1-CD1 4.24Å; I279-I393 HydrophobicContact CG2-CD1 4.31Å; I279-I393 CarbonylContact O-C 3.58Å; I279-I393 VanDerWaalsContact O-CA 3.3Å; I279-I393 WeakPolarHBondContact O-CA 3.3Å; I279-I393 WeakPolarHBondContact O-CG2 3.39Å; I279-A394 PolarHBondContact O-N 3.13Å; I279-L580 HydrophobicContact CD1-CD2 3.97Å; I279-L580 HydrophobicContact CG1-CD2 3.75Å
280	D	97.7	Very high	95	Very high	12 Å²	12	30.2 Å²	30.2	6%	0.064	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	129	-179.6	-62.6	-63.5	0	0	0	110.8	I265 L266 G268 V282 A394 H396	I265-D280 WeakPolarHBondContact CA-O 3.48Å; L266-D280 HydrophobicContact CB-CB 4.12Å; L266-D280 PolarHBondContact N-O 3.4Å; L266-D280 PolarHBondContact O-N 3.26Å; G268-D280 WeakPolarHBondContact CA-OD2 3.24Å; G268-D280 PolarHBondContact N-OD2 3.23Å; D280-V282 HydrophobicContact CB-CG1 4.43Å; D280-A394 WeakPolarHBondContact OD1-CB 3.39Å; D280-H396 IonicContact OD1-CD2 2.8Å; D280-H396 IonicContact OD1-CE1 3.69Å; D280-H396 IonicContact OD1-NE2 2.78Å; D280-H396 PolarHBondContact OD1-NE2 3.2Å
281	L	97.8	Very high	94.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	111.6	165.6	-61.3	-175.4	0	0	0	108.8	R264 I265 L363 W372 I393 A394 L395 H396 F401	R264-L281 WeakPolarHBondContact O-CA 3.32Å; I265-L281 HydrophobicContact CG1-CD2 3.8Å; L281-L363 HydrophobicContact CD1-CD1 4.1Å; L281-L363 HydrophobicContact CD1-CD2 3.85Å; L281-W372 HydrophobicContact CD1-CH2 4.03Å; L281-W372 HydrophobicContact CD1-CZ3 3.91Å; L281-W372 HydrophobicContact CD2-CZ3 4.45Å; L281-I393 HydrophobicContact CD1-CG2 3.86Å; L281-I393 HydrophobicContact CG-CG2 3.77Å; L281-A394 PolarHBondContact N-O 2.78Å; L281-L395 HydrophobicContact CB-CD2 3.94Å; L281-L395 HydrophobicContact CD1-CD2 3.82Å; L281-L395 HydrophobicContact CG-CD2 4.33Å; L281-H396 PolarHBondContact O-N 3.26Å; L281-H396 VanDerWaalsContact O-N 3.08Å; L281-F401 HydrophobicContact CD1-CE2 4.09Å; L281-F401 HydrophobicContact CD1-CZ 4.02Å
282	V	95.8	Very high	94.7	Very high	13 Å²	13	30.1 Å²	30.1	8%	0.079	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-179.1	178.4	-52.6	0	0	0	0	110.5	S263 R264 L266 D280 H396	S263-V282 WeakPolarHBondContact CA-O 3.41Å; S263-V282 WeakPolarHBondContact CB-O 3.47Å; R264-V282 HydrophobicContact CB-CG2 3.73Å; R264-V282 PolarHBondContact N-O 3.09Å; R264-V282 VanDerWaalsContact N-O 3.15Å; R264-V282 PolarHBondContact O-N 3.45Å; R264-V282 VanDerWaalsContact O-N 3.13Å; L266-V282 HydrophobicContact CD1-CG1 4.37Å; L266-V282 HydrophobicContact CD1-CG2 4.01Å; D280-V282 HydrophobicContact CB-CG1 4.43Å; V282-H396 HydrophobicContact CG1-CB 4.06Å
283	E	93.9	Very high	94.6	Very high	35 Å²	35	25.7 Å²	25.7	16%	0.164	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	142.9	-173.9	78.5	-80.5	-135.2	0	0	112.7	R264 T343 R349	R264-E283 WeakPolarHBondContact CG-O 3.04Å; R264-E283 IonicContact CZ-OE2 3.69Å; R264-E283 PolarHBondContact NE-O 3.09Å; R264-E283 IonicContact NH2-OE1 3.89Å; R264-E283 IonicContact NH2-OE2 2.92Å; R264-E283 PolarHBondContact NH2-OE2 2.99Å; E283-T343 HydrophobicContact CB-CG2 3.85Å; E283-T343 HydrophobicContact CG-CG2 3.98Å; E283-R349 IonicContact OE1-CZ 3.21Å; E283-R349 IonicContact OE1-NH1 2.7Å; E283-R349 PolarHBondContact OE1-NH1 3.31Å; E283-R349 IonicContact OE1-NH2 3.65Å; E283-R349 PolarHBondContact OE1-NH2 3.15Å
284	G	91.2	Very high	94.4	Very high	6 Å²	6	26.3 Å²	26.3	6%	0.062	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-65.4	162.3	-178.1	0	0	0	0	0	113.5	T260	T260-G284 WeakPolarHBondContact O-CA 3.46Å
285	Y	91.6	Very high	94	Very high	45 Å²	45	28.8 Å²	28.8	18%	0.176	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-68.7	132.4	177	-175	-97.9	0	0	0	111.9	T260 S428 W431	T260-Y285 PolarHBondContact O-N 2.98Å; Y285-S428 WeakPolarHBondContact CD1-OG 3.13Å; Y285-S428 WeakPolarHBondContact CE1-OG 3.38Å; Y285-W431 AromaticContact CZ-CD1 3.92Å
286	L	95.1	Very high	93.3	Very high	27 Å²	27	27.3 Å²	27.3	14%	0.141	13%	0.134	C	C	.	.			trans	-121.1	147.2	167.8	-71.4	171.5	0	0	0	108.6	L288 R290 Y293 E336 I339 A340	L286-L288 VanDerWaalsContact C-N 3.34Å; L286-L288 WeakPolarHBondContact CB-O 3.46Å; L286-R290 HydrophobicContact CD1-CB 4.26Å; L286-Y293 HydrophobicContact CB-CE2 4.24Å; L286-Y293 HydrophobicContact CD1-CE2 4.33Å; L286-Y293 HydrophobicContact CD2-CE2 4.2Å; L286-E336 HydrophobicContact CD2-CB 4.12Å; L286-E336 WeakPolarHBondContact CD2-O 3.18Å; L286-I339 HydrophobicContact CD2-CB 3.91Å; L286-I339 HydrophobicContact CD2-CG2 3.7Å; L286-I339 HydrophobicContact CG-CG2 4.29Å; L286-A340 HydrophobicContact CD1-CB 3.81Å; L286-A340 HydrophobicContact CD2-CB 4.28Å
287	S	95.7	Very high	92.9	Very high	10 Å²	10	27.5 Å²	27.5	7%	0.07	15%	0.149	C	C	.	.	S	Bend	trans	-69.3	-33.3	174.5	-62	0	0	0	0	113.1	Y293 E336 W427 W431	S287-Y293 PolarHBondContact N-OH 2.04Å; S287-E336 VanDerWaalsContact CB-OE1 3.25Å; S287-E336 WeakPolarHBondContact CB-OE1 3.1Å; S287-E336 WeakPolarHBondContact CB-OE2 3.46Å; S287-E336 PolarHBondContact N-OE1 2.97Å; S287-E336 VanDerWaalsContact N-OE1 3.11Å; S287-E336 PolarHBondContact OG-OE1 3.38Å; S287-E336 PolarHBondContact OG-OE2 2.79Å; S287-W427 PolarHBondContact OG-NE1 3.05Å; S287-W431 VanDerWaalsContact CA-CD1 3.42Å; S287-W431 VanDerWaalsContact CA-NE1 3.34Å; S287-W431 PolarHBondContact O-NE1 3.4Å
288	L	94.2	Very high	92.5	Very high	11 Å²	11	30 Å²	30	6%	0.058	16%	0.158	C	C	.	.	S	Bend	trans	-116.4	169.8	179.2	-61.7	179.1	0	0	0	112.5	L286 Y292 Y293 T305 F308 Y333 Y448	L286-L288 VanDerWaalsContact C-N 3.34Å; L286-L288 WeakPolarHBondContact CB-O 3.46Å; L288-Y292 HydrophobicContact CB-CD2 3.89Å; L288-Y292 HydrophobicContact CD1-CD2 4.17Å; L288-Y292 HydrophobicContact CD2-CD2 4.24Å; L288-Y292 HydrophobicContact CG-CD2 4.35Å; L288-Y293 HydrophobicContact CB-CD2 4.34Å; L288-Y293 HydrophobicContact CB-CE2 3.53Å; L288-Y293 HydrophobicContact CD1-CE1 4.36Å; L288-Y293 HydrophobicContact CG-CE2 4.42Å; L288-Y293 PolarHBondContact N-OH 3.5Å; L288-Y293 VanDerWaalsContact N-OH 3.09Å; L288-T305 HydrophobicContact CD1-CG2 4.11Å; L288-F308 HydrophobicContact CD1-CB 4.06Å; L288-F308 HydrophobicContact CD1-CD1 3.56Å; L288-F308 HydrophobicContact CD1-CE1 4.15Å; L288-F308 HydrophobicContact CD1-CG 3.83Å; L288-F308 HydrophobicContact CD2-CB 4.19Å; L288-F308 HydrophobicContact CD2-CD1 4.08Å; L288-F308 HydrophobicContact CD2-CD2 3.71Å; L288-F308 HydrophobicContact CD2-CE1 4.4Å; L288-F308 HydrophobicContact CD2-CE2 4.08Å; L288-F308 HydrophobicContact CD2-CG 3.72Å; L288-F308 HydrophobicContact CD2-CZ 4.42Å; L288-F308 HydrophobicContact CG-CD1 3.81Å; L288-F308 HydrophobicContact CG-CD2 4.32Å; L288-F308 HydrophobicContact CG-CE1 3.99Å; L288-F308 HydrophobicContact CG-CE2 4.49Å; L288-F308 HydrophobicContact CG-CG 3.98Å; L288-F308 HydrophobicContact CG-CZ 4.35Å; L288-Y333 HydrophobicContact CD1-CE2 4.36Å; L288-Y448 HydrophobicContact CD2-CE2 3.57Å; L288-Y448 WeakPolarHBondContact CD2-OH 3.46Å
289	Q	92.1	Very high	92	Very high	54 Å²	54	34.6 Å²	34.6	25%	0.252	19%	0.188	S	C	.	.			trans	-55.1	136.9	164.1	-57.9	-61.9	-18.6	0	0	110.2	E291 Y292 Y293 F759	Q289-E291 PolarHBondContact O-N 3.45Å; Q289-Y292 HydrophobicContact CB-CD1 4.39Å; Q289-Y292 HydrophobicContact CB-CD2 4.08Å; Q289-Y292 HydrophobicContact CB-CE1 4.47Å; Q289-Y292 HydrophobicContact CB-CE2 4.08Å; Q289-Y292 HydrophobicContact CB-CG 4.18Å; Q289-Y292 HydrophobicContact CG-CD2 4.48Å; Q289-Y292 HydrophobicContact CG-CE2 3.99Å; Q289-Y292 WeakPolarHBondContact O-CB 3.27Å; Q289-Y292 PolarHBondContact O-N 3.34Å; Q289-Y292 VanDerWaalsContact O-N 3.16Å; Q289-Y293 WeakPolarHBondContact O-CD2 3.27Å; Q289-F759 HydrophobicContact CB-CD1 4.15Å; Q289-F759 HydrophobicContact CB-CE1 3.98Å; Q289-F759 HydrophobicContact CB-CZ 4.25Å; Q289-F759 HydrophobicContact CG-CD1 4.09Å; Q289-F759 HydrophobicContact CG-CD2 4.15Å; Q289-F759 HydrophobicContact CG-CE1 4.25Å; Q289-F759 HydrophobicContact CG-CE2 4.27Å; Q289-F759 HydrophobicContact CG-CG 4.09Å; Q289-F759 HydrophobicContact CG-CZ 4.34Å
290	R	93.3	Very high	91.3	Very high	38 Å²	38	35.6 Å²	35.6	14%	0.143	20%	0.196	C	C	.	.	H	α-helix	trans	-50	-46.3	-179	167.8	-173.6	168.7	-86.5	4.3	111.8	L286 Y292 Y293 V294 A340 T343 D345	L286-R290 HydrophobicContact CD1-CB 4.26Å; R290-Y292 VanDerWaalsContact C-N 3.25Å; R290-Y292 PolarHBondContact O-N 2.93Å; R290-Y293 PolarHBondContact O-N 2.98Å; R290-V294 HydrophobicContact CG-CG2 4.03Å; R290-V294 WeakPolarHBondContact O-CG2 3.39Å; R290-V294 PolarHBondContact O-N 3.25Å; R290-A340 HydrophobicContact CG-CB 4.19Å; R290-A340 PolarHBondContact NE-O 3.43Å; R290-T343 PolarHBondContact NE-O 2.89Å; R290-D345 IonicContact CZ-OD2 3.38Å; R290-D345 IonicContact NH1-OD2 3.38Å; R290-D345 PolarHBondContact NH1-OD2 3.45Å; R290-D345 IonicContact NH2-OD2 3.63Å; R290-D345 PolarHBondContact NH2-OD2 3.5Å
291	E	91.8	Very high	91	Very high	23 Å²	23	35.9 Å²	35.9	11%	0.107	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-30	-172	-62.9	58.6	-126.6	0	0	112.1	Q289 Y293 V294 N295 Y301 R346 F759	Q289-E291 PolarHBondContact O-N 3.45Å; E291-Y293 VanDerWaalsContact C-N 3.26Å; E291-Y293 PolarHBondContact O-N 2.94Å; E291-V294 PolarHBondContact O-N 3.12Å; E291-N295 PolarHBondContact O-N 2.66Å; E291-Y301 HydrophobicContact CB-CE2 4.15Å; E291-R346 IonicContact OE2-NH1 2.71Å; E291-R346 PolarHBondContact OE2-NH1 2.88Å; E291-F759 HydrophobicContact CB-CE1 3.82Å; E291-F759 HydrophobicContact CG-CE1 4.01Å
292	Y	92.8	Very high	90.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-35.7	175	-67.2	-13.3	0	0	0	111.8	L288 Q289 R290 Y301 K304 T305 E452 N755 F759	L288-Y292 HydrophobicContact CB-CD2 3.89Å; L288-Y292 HydrophobicContact CD1-CD2 4.17Å; L288-Y292 HydrophobicContact CD2-CD2 4.24Å; L288-Y292 HydrophobicContact CG-CD2 4.35Å; Q289-Y292 HydrophobicContact CB-CD1 4.39Å; Q289-Y292 HydrophobicContact CB-CD2 4.08Å; Q289-Y292 HydrophobicContact CB-CE1 4.47Å; Q289-Y292 HydrophobicContact CB-CE2 4.08Å; Q289-Y292 HydrophobicContact CB-CG 4.18Å; Q289-Y292 HydrophobicContact CG-CD2 4.48Å; Q289-Y292 HydrophobicContact CG-CE2 3.99Å; Q289-Y292 WeakPolarHBondContact O-CB 3.27Å; Q289-Y292 PolarHBondContact O-N 3.34Å; Q289-Y292 VanDerWaalsContact O-N 3.16Å; R290-Y292 VanDerWaalsContact C-N 3.25Å; R290-Y292 PolarHBondContact O-N 2.93Å; Y292-Y301 AromaticContact CD1-CD1 3.4Å; Y292-Y301 HydrophobicContact CD1-CD1 3.4Å; Y292-Y301 AromaticContact CD1-CE1 3.82Å; Y292-Y301 HydrophobicContact CD1-CE1 3.82Å; Y292-Y301 AromaticContact CD1-CG 3.87Å; Y292-Y301 HydrophobicContact CD1-CG 3.87Å; Y292-Y301 AromaticContact CE1-CD1 3.68Å; Y292-Y301 HydrophobicContact CE1-CD1 3.68Å; Y292-Y301 AromaticContact CE1-CE1 3.89Å; Y292-Y301 HydrophobicContact CE1-CE1 3.89Å; Y292-K304 HydrophobicContact CD1-CD 4.42Å; Y292-K304 HydrophobicContact CE1-CD 3.55Å; Y292-K304 HydrophobicContact CE2-CB 4.41Å; Y292-K304 HydrophobicContact CE2-CD 3.9Å; Y292-K304 VanDerWaalsContact OH-CD 3.26Å; Y292-K304 WeakPolarHBondContact OH-CD 3.15Å; Y292-K304 PolarHBondContact OH-NZ 3.12Å; Y292-T305 WeakPolarHBondContact O-CG2 3.35Å; Y292-E452 WeakPolarHBondContact CE2-OE1 3.48Å; Y292-E452 PolarHBondContact OH-OE1 2.04Å; Y292-N755 PolarHBondContact OH-OD1 3.31Å; Y292-F759 HydrophobicContact CD1-CE2 4.32Å; Y292-F759 AromaticContact CD1-CZ 3.73Å; Y292-F759 HydrophobicContact CD1-CZ 3.73Å; Y292-F759 HydrophobicContact CE1-CE1 4.32Å; Y292-F759 AromaticContact CE1-CE2 3.34Å; Y292-F759 HydrophobicContact CE1-CE2 3.34Å; Y292-F759 AromaticContact CE1-CZ 3.18Å; Y292-F759 HydrophobicContact CE1-CZ 3.18Å; Y292-F759 AromaticContact CZ-CE2 3.64Å; Y292-F759 AromaticContact CZ-CZ 3.89Å; Y292-F759 WeakPolarHBondContact OH-CE2 3.37Å
293	Y	94.2	Very high	90.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-79.8	-36.9	176.7	-57.4	-86.7	0	0	0	112.5	L286 S287 L288 Q289 R290 E291 Y333 E336 K337 A340	L286-Y293 HydrophobicContact CB-CE2 4.24Å; L286-Y293 HydrophobicContact CD1-CE2 4.33Å; L286-Y293 HydrophobicContact CD2-CE2 4.2Å; S287-Y293 PolarHBondContact N-OH 2.04Å; L288-Y293 HydrophobicContact CB-CD2 4.34Å; L288-Y293 HydrophobicContact CB-CE2 3.53Å; L288-Y293 HydrophobicContact CD1-CE1 4.36Å; L288-Y293 HydrophobicContact CG-CE2 4.42Å; L288-Y293 PolarHBondContact N-OH 3.5Å; L288-Y293 VanDerWaalsContact N-OH 3.09Å; Q289-Y293 WeakPolarHBondContact O-CD2 3.27Å; R290-Y293 PolarHBondContact O-N 2.98Å; E291-Y293 VanDerWaalsContact C-N 3.26Å; E291-Y293 PolarHBondContact O-N 2.94Å; Y293-Y333 HydrophobicContact CD1-CE1 4.44Å; Y293-Y333 AromaticContact CD1-CE2 3.93Å; Y293-Y333 HydrophobicContact CD1-CE2 3.93Å; Y293-Y333 AromaticContact CD1-CZ 3.86Å; Y293-Y333 HydrophobicContact CE1-CD2 4.05Å; Y293-Y333 AromaticContact CE1-CE2 3.73Å; Y293-Y333 HydrophobicContact CE1-CE2 3.73Å; Y293-E336 HydrophobicContact CE1-CB 3.67Å; Y293-E336 PolarHBondContact OH-OE2 3.38Å; Y293-K337 HydrophobicContact CD1-CB 3.97Å; Y293-K337 HydrophobicContact CG-CB 4.45Å; Y293-K337 VanDerWaalsContact O-CE 3.25Å; Y293-K337 WeakPolarHBondContact O-CE 3.46Å; Y293-A340 HydrophobicContact CD2-CB 3.63Å; Y293-A340 HydrophobicContact CE2-CB 4.41Å; Y293-A340 HydrophobicContact CG-CB 3.9Å
294	V	91.8	Very high	90.5	Very high	58 Å²	58	42 Å²	42	35%	0.352	23%	0.229	S	C	.	.	H	α-helix	trans	-75.9	-38	-172.7	177.3	0	0	0	0	112.1	R290 E291 A340 L341	R290-V294 HydrophobicContact CG-CG2 4.03Å; R290-V294 WeakPolarHBondContact O-CG2 3.39Å; R290-V294 PolarHBondContact O-N 3.25Å; E291-V294 PolarHBondContact O-N 3.12Å; V294-A340 HydrophobicContact CG2-CB 4.48Å; V294-L341 HydrophobicContact CG1-CD2 4.3Å; V294-L341 HydrophobicContact CG2-CD2 4.13Å
295	N	86.4	Confident	90.7	Very high	72 Å²	72	42.2 Å²	42.2	39%	0.385	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	52.2	-179.5	-169.8	6.4	0	0	0	112.1	E291 S297 Y298 Y301	E291-N295 PolarHBondContact O-N 2.66Å; N295-S297 PolarHBondContact O-N 3.35Å; N295-S297 PolarHBondContact OD1-OG 2.9Å; N295-Y298 WeakPolarHBondContact O-CB 3.47Å; N295-Y298 PolarHBondContact O-N 3.18Å; N295-Y301 HydrophobicContact CB-CD2 4.01Å; N295-Y301 HydrophobicContact CB-CE2 4.16Å; N295-Y301 WeakPolarHBondContact O-CD2 3.45Å
296	D	79.5	Confident	90.8	Very high	64 Å²	64	41.1 Å²	41.1	34%	0.342	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-8.5	178.7	62.9	6.1	0	0	0	114.6	S302 K337	D296-S302 WeakPolarHBondContact O-CB 3.38Å; D296-K337 IonicContact OD1-NZ 2.67Å; D296-K337 IonicContact OD2-NZ 2.82Å; D296-K337 PolarHBondContact OD2-NZ 2.63Å
297	S	85.1	Confident	90.9	Very high	95 Å²	95	39.9 Å²	39.9	66%	0.664	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-26	170.2	82.2	0	0	0	0	114.2	N295	N295-S297 PolarHBondContact O-N 3.35Å; N295-S297 PolarHBondContact OD1-OG 2.9Å
298	Y	87.1	Confident	90.9	Very high	68 Å²	68	39.4 Å²	39.4	27%	0.267	22%	0.221	S	C	.	.	S	Bend	trans	-70.2	126.1	-178.3	-177.5	-118.5	0	0	0	110.2	N295 A300 Y301 S302 T687 L758	N295-Y298 WeakPolarHBondContact O-CB 3.47Å; N295-Y298 PolarHBondContact O-N 3.18Å; Y298-A300 VanDerWaalsContact C-N 3.26Å; Y298-A300 HydrophobicContact CD1-CB 3.89Å; Y298-A300 HydrophobicContact CE1-CB 3.55Å; Y298-A300 PolarHBondContact O-N 3.05Å; Y298-A300 VanDerWaalsContact O-N 3.08Å; Y298-Y301 AromaticContact CD1-CD1 3.87Å; Y298-Y301 HydrophobicContact CD1-CD1 3.87Å; Y298-Y301 AromaticContact CD1-CD2 3.83Å; Y298-Y301 HydrophobicContact CD1-CD2 3.83Å; Y298-Y301 AromaticContact CD1-CE1 3.96Å; Y298-Y301 HydrophobicContact CD1-CE1 3.96Å; Y298-Y301 AromaticContact CD1-CE2 3.9Å; Y298-Y301 HydrophobicContact CD1-CE2 3.9Å; Y298-Y301 AromaticContact CD1-CG 3.81Å; Y298-Y301 HydrophobicContact CD1-CG 3.81Å; Y298-Y301 AromaticContact CD1-CZ 3.97Å; Y298-Y301 HydrophobicContact CE1-CD1 4.48Å; Y298-Y301 HydrophobicContact CE1-CE1 4.28Å; Y298-Y301 HydrophobicContact CG-CD2 4.31Å; Y298-Y301 WeakPolarHBondContact O-CA 3.36Å; Y298-Y301 PolarHBondContact O-N 2.81Å; Y298-S302 PolarHBondContact O-N 3.39Å; Y298-T687 PolarHBondContact OH-OG1 3.11Å; Y298-L758 HydrophobicContact CE1-CD1 4.12Å
299	P	85.9	Confident	91.1	Very high	96 Å²	96	43.5 Å²	43.5	62%	0.623	24%	0.236	S	C	*	.	H	α-helix	trans	-57.2	-31.5	-168.9	-30.2	36.4	0	0	0	115.9	S302 K303	P299-S302 PolarHBondContact O-OG 3.47Å; P299-K303 PolarHBondContact O-N 3.26Å
300	A	84.1	Confident	91.3	Very high	21 Å²	21	46.1 Å²	46.1	17%	0.174	24%	0.243	C	C	.	.	H	α-helix	trans	-72	-31	176.3	0	0	0	0	0	112.5	Y298 K304 L754	Y298-A300 VanDerWaalsContact C-N 3.26Å; Y298-A300 HydrophobicContact CD1-CB 3.89Å; Y298-A300 HydrophobicContact CE1-CB 3.55Å; Y298-A300 PolarHBondContact O-N 3.05Å; Y298-A300 VanDerWaalsContact O-N 3.08Å; A300-K304 WeakPolarHBondContact O-CG 3.19Å; A300-L754 HydrophobicContact CB-CD2 3.63Å
301	Y	91.3	Very high	91.5	Very high	18 Å²	18	44.5 Å²	44.5	7%	0.071	24%	0.237	C	C	.	.	H	α-helix	trans	-81.4	-43.9	178.1	-60.4	-15.5	0	0	0	111	E291 Y292 N295 Y298 K303 K304 T305 L758 F759	E291-Y301 HydrophobicContact CB-CE2 4.15Å; Y292-Y301 AromaticContact CD1-CD1 3.4Å; Y292-Y301 HydrophobicContact CD1-CD1 3.4Å; Y292-Y301 AromaticContact CD1-CE1 3.82Å; Y292-Y301 HydrophobicContact CD1-CE1 3.82Å; Y292-Y301 AromaticContact CD1-CG 3.87Å; Y292-Y301 HydrophobicContact CD1-CG 3.87Å; Y292-Y301 AromaticContact CE1-CD1 3.68Å; Y292-Y301 HydrophobicContact CE1-CD1 3.68Å; Y292-Y301 AromaticContact CE1-CE1 3.89Å; Y292-Y301 HydrophobicContact CE1-CE1 3.89Å; N295-Y301 HydrophobicContact CB-CD2 4.01Å; N295-Y301 HydrophobicContact CB-CE2 4.16Å; N295-Y301 WeakPolarHBondContact O-CD2 3.45Å; Y298-Y301 AromaticContact CD1-CD1 3.87Å; Y298-Y301 HydrophobicContact CD1-CD1 3.87Å; Y298-Y301 AromaticContact CD1-CD2 3.83Å; Y298-Y301 HydrophobicContact CD1-CD2 3.83Å; Y298-Y301 AromaticContact CD1-CE1 3.96Å; Y298-Y301 HydrophobicContact CD1-CE1 3.96Å; Y298-Y301 AromaticContact CD1-CE2 3.9Å; Y298-Y301 HydrophobicContact CD1-CE2 3.9Å; Y298-Y301 AromaticContact CD1-CG 3.81Å; Y298-Y301 HydrophobicContact CD1-CG 3.81Å; Y298-Y301 AromaticContact CD1-CZ 3.97Å; Y298-Y301 HydrophobicContact CE1-CD1 4.48Å; Y298-Y301 HydrophobicContact CE1-CE1 4.28Å; Y298-Y301 HydrophobicContact CG-CD2 4.31Å; Y298-Y301 WeakPolarHBondContact O-CA 3.36Å; Y298-Y301 PolarHBondContact O-N 2.81Å; Y301-K303 VanDerWaalsContact C-N 3.26Å; Y301-K303 PolarHBondContact O-N 3.36Å; Y301-K304 PolarHBondContact O-N 2.96Å; Y301-T305 PolarHBondContact O-N 2.97Å; Y301-T305 PolarHBondContact O-OG1 3.44Å; Y301-L758 HydrophobicContact CE1-CD1 3.55Å; Y301-F759 AromaticContact CE1-CZ 3.71Å; Y301-F759 HydrophobicContact CE1-CZ 3.71Å
302	S	91.5	Very high	91.8	Very high	55 Å²	55	43.5 Å²	43.5	39%	0.385	23%	0.233	S	C	.	.	H	α-helix	trans	-58.3	-36.6	179.1	75.2	0	0	0	0	112.9	D296 Y298 P299 T305 G306	D296-S302 WeakPolarHBondContact O-CB 3.38Å; Y298-S302 PolarHBondContact O-N 3.39Å; P299-S302 PolarHBondContact O-OG 3.47Å; S302-T305 PolarHBondContact O-OG1 3.02Å; S302-G306 PolarHBondContact O-N 3.04Å
303	K	91.7	Very high	92.1	Very high	116 Å²	116	48 Å²	48	50%	0.504	25%	0.25	S	C	.	.	H	α-helix	trans	-63.3	-47.8	172.8	-172.8	-176.2	176.6	-172.5	0	111.8	P299 Y301 A307 A451	P299-K303 PolarHBondContact O-N 3.26Å; Y301-K303 VanDerWaalsContact C-N 3.26Å; Y301-K303 PolarHBondContact O-N 3.36Å; K303-A307 PolarHBondContact O-N 3.25Å; K303-A307 VanDerWaalsContact O-N 3.09Å; K303-A451 HydrophobicContact CG-CB 4.31Å
304	K	93.5	Very high	92.2	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-47.7	-177.8	-68	-178.5	-171	-154.1	0	111.8	Y292 A300 Y301 G306 A307 F308 A451 E452 N755	Y292-K304 HydrophobicContact CD1-CD 4.42Å; Y292-K304 HydrophobicContact CE1-CD 3.55Å; Y292-K304 HydrophobicContact CE2-CB 4.41Å; Y292-K304 HydrophobicContact CE2-CD 3.9Å; Y292-K304 VanDerWaalsContact OH-CD 3.26Å; Y292-K304 WeakPolarHBondContact OH-CD 3.15Å; Y292-K304 PolarHBondContact OH-NZ 3.12Å; A300-K304 WeakPolarHBondContact O-CG 3.19Å; Y301-K304 PolarHBondContact O-N 2.96Å; K304-G306 VanDerWaalsContact C-N 3.34Å; K304-G306 PolarHBondContact O-N 3.36Å; K304-A307 PolarHBondContact O-N 2.85Å; K304-F308 WeakPolarHBondContact O-CB 3.44Å; K304-F308 PolarHBondContact O-N 3Å; K304-A451 WeakPolarHBondContact CE-O 3.41Å; K304-A451 HydrophobicContact CG-CB 4.34Å; K304-A451 WeakPolarHBondContact CG-O 3.42Å; K304-E452 HydrophobicContact CD-CB 4.34Å; K304-E452 HydrophobicContact CD-CG 4.31Å; K304-E452 WeakPolarHBondContact CE-O 3.34Å; K304-E452 PolarHBondContact NZ-O 2.93Å; K304-N755 PolarHBondContact NZ-OD1 3.09Å
305	T	95.1	Very high	92.5	Very high	10 Å²	10	48.8 Å²	48.8	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-36.1	176.9	58	0	0	0	0	112.3	L288 Y292 Y301 S302 F308 R309 Y333	L288-T305 HydrophobicContact CD1-CG2 4.11Å; Y292-T305 WeakPolarHBondContact O-CG2 3.35Å; Y301-T305 PolarHBondContact O-N 2.97Å; Y301-T305 PolarHBondContact O-OG1 3.44Å; S302-T305 PolarHBondContact O-OG1 3.02Å; T305-F308 PolarHBondContact O-N 2.67Å; T305-R309 WeakPolarHBondContact O-CB 3.44Å; T305-R309 WeakPolarHBondContact O-CG 3.42Å; T305-R309 PolarHBondContact O-N 3.27Å; T305-Y333 WeakPolarHBondContact CB-OH 3.37Å; T305-Y333 VanDerWaalsContact CG2-OH 3.31Å; T305-Y333 WeakPolarHBondContact CG2-OH 3.36Å
306	G	95.6	Very high	93	Very high	21 Å²	21	45.3 Å²	45.3	22%	0.216	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-46.9	173	0	0	0	0	0	112.9	S302 K304 R310	S302-G306 PolarHBondContact O-N 3.04Å; K304-G306 VanDerWaalsContact C-N 3.34Å; K304-G306 PolarHBondContact O-N 3.36Å; G306-R310 PolarHBondContact O-N 3.16Å; G306-R310 PolarHBondContact O-NH1 3.05Å
307	A	95.9	Very high	93.9	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-44.6	175.4	0	0	0	0	0	111.7	K303 K304 R309 R310 F311 E447 A451	K303-A307 PolarHBondContact O-N 3.25Å; K303-A307 VanDerWaalsContact O-N 3.09Å; K304-A307 PolarHBondContact O-N 2.85Å; A307-R309 PolarHBondContact O-N 2.94Å; A307-R310 WeakPolarHBondContact O-CB 3.41Å; A307-R310 PolarHBondContact O-N 3.45Å; A307-F311 PolarHBondContact O-N 3.27Å; A307-E447 HydrophobicContact CB-CG 4.08Å; A307-A451 HydrophobicContact CB-CB 4.02Å
308	F	97.1	Very high	94.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-45.9	177.2	-175.6	-110.3	0	0	0	112.4	L288 K304 T305 R310 F311 M312 Y333 W427 W431 Y448	L288-F308 HydrophobicContact CD1-CB 4.06Å; L288-F308 HydrophobicContact CD1-CD1 3.56Å; L288-F308 HydrophobicContact CD1-CE1 4.15Å; L288-F308 HydrophobicContact CD1-CG 3.83Å; L288-F308 HydrophobicContact CD2-CB 4.19Å; L288-F308 HydrophobicContact CD2-CD1 4.08Å; L288-F308 HydrophobicContact CD2-CD2 3.71Å; L288-F308 HydrophobicContact CD2-CE1 4.4Å; L288-F308 HydrophobicContact CD2-CE2 4.08Å; L288-F308 HydrophobicContact CD2-CG 3.72Å; L288-F308 HydrophobicContact CD2-CZ 4.42Å; L288-F308 HydrophobicContact CG-CD1 3.81Å; L288-F308 HydrophobicContact CG-CD2 4.32Å; L288-F308 HydrophobicContact CG-CE1 3.99Å; L288-F308 HydrophobicContact CG-CE2 4.49Å; L288-F308 HydrophobicContact CG-CG 3.98Å; L288-F308 HydrophobicContact CG-CZ 4.35Å; K304-F308 WeakPolarHBondContact O-CB 3.44Å; K304-F308 PolarHBondContact O-N 3Å; T305-F308 PolarHBondContact O-N 2.67Å; F308-R310 VanDerWaalsContact C-N 3.3Å; F308-R310 PolarHBondContact O-N 2.85Å; F308-F311 HydrophobicContact CE2-CD1 4.49Å; F308-F311 CarbonylContact O-C 3.59Å; F308-F311 WeakPolarHBondContact O-CA 3.33Å; F308-F311 WeakPolarHBondContact O-CB 3.03Å; F308-F311 PolarHBondContact O-N 2.82Å; F308-F311 VanDerWaalsContact O-N 3.11Å; F308-M312 HydrophobicContact CD1-CG 4.02Å; F308-M312 HydrophobicContact CD1-SD 3.79Å; F308-M312 HydrophobicContact CE1-CE 4.45Å; F308-M312 HydrophobicContact CE1-CG 3.69Å; F308-M312 HydrophobicContact CE1-SD 3.42Å; F308-M312 WeakPolarHBondContact CE1-SD 3.41Å; F308-M312 HydrophobicContact CZ-CG 3.94Å; F308-M312 HydrophobicContact CZ-SD 4.18Å; F308-M312 WeakPolarHBondContact O-CG 3.25Å; F308-M312 PolarHBondContact O-N 2.84Å; F308-Y333 HydrophobicContact CD1-CD2 4.24Å; F308-Y333 HydrophobicContact CD1-CE2 4.35Å; F308-Y333 HydrophobicContact CE1-CD2 4.47Å; F308-W427 HydrophobicContact CE1-CZ2 4.5Å; F308-W427 HydrophobicContact CE2-CZ2 4.04Å; F308-W427 AromaticContact CZ-CZ2 3.62Å; F308-W427 HydrophobicContact CZ-CZ2 3.62Å; F308-W427 AromaticContact CZ-NE1 3.98Å; F308-W431 HydrophobicContact CD2-CH2 4.19Å; F308-W431 HydrophobicContact CD2-CZ2 4.39Å; F308-W431 HydrophobicContact CE2-CD2 4.11Å; F308-W431 AromaticContact CE2-CE2 3.92Å; F308-W431 HydrophobicContact CE2-CE3 4.1Å; F308-W431 AromaticContact CE2-CH2 3.76Å; F308-W431 HydrophobicContact CE2-CH2 3.76Å; F308-W431 AromaticContact CE2-CZ2 3.75Å; F308-W431 HydrophobicContact CE2-CZ2 3.75Å; F308-W431 AromaticContact CE2-CZ3 3.93Å; F308-W431 HydrophobicContact CE2-CZ3 3.93Å; F308-Y448 HydrophobicContact CB-CD2 3.66Å; F308-Y448 HydrophobicContact CB-CE2 3.83Å; F308-Y448 HydrophobicContact CD2-CD2 4.07Å; F308-Y448 HydrophobicContact CD2-CE2 4.01Å; F308-Y448 HydrophobicContact CG-CD2 4.35Å; F308-Y448 HydrophobicContact CG-CE2 4.28Å
309	R	97.1	Very high	94.9	Very high	98 Å²	98	40.4 Å²	40.4	37%	0.37	20%	0.204	S	C	.	.	H	α-helix	trans	-64.8	-31.6	177.8	-73.5	-179.4	64.7	-162.9	-0.3	113.3	T305 A307 R313 D330 Y333	T305-R309 WeakPolarHBondContact O-CB 3.44Å; T305-R309 WeakPolarHBondContact O-CG 3.42Å; T305-R309 PolarHBondContact O-N 3.27Å; A307-R309 PolarHBondContact O-N 2.94Å; R309-R313 WeakPolarHBondContact O-CG 3.49Å; R309-R313 PolarHBondContact O-N 3.48Å; R309-D330 IonicContact CZ-OD1 3.14Å; R309-D330 IonicContact NE-OD1 2.77Å; R309-D330 IonicContact NH2-OD1 3.59Å; R309-D330 PolarHBondContact NH2-OD1 3.38Å; R309-Y333 HydrophobicContact CG-CD1 4.36Å; R309-Y333 HydrophobicContact CG-CD2 3.54Å; R309-Y333 HydrophobicContact CG-CE2 3.76Å; R309-Y333 HydrophobicContact CG-CG 3.87Å
310	R	97.3	Very high	95.4	Very high	109 Å²	109	37.2 Å²	37.2	41%	0.411	19%	0.188	S	C	.	.	H	α-helix	trans	-65.8	-46.7	169.8	-76.3	-173.6	-68.4	-80.1	8.3	110.8	G306 A307 F308 M312 R313 N314 E447	G306-R310 PolarHBondContact O-N 3.16Å; G306-R310 PolarHBondContact O-NH1 3.05Å; A307-R310 WeakPolarHBondContact O-CB 3.41Å; A307-R310 PolarHBondContact O-N 3.45Å; F308-R310 VanDerWaalsContact C-N 3.3Å; F308-R310 PolarHBondContact O-N 2.85Å; R310-M312 PolarHBondContact O-N 3.17Å; R310-R313 PolarHBondContact O-N 2.96Å; R310-N314 WeakPolarHBondContact O-CB 3.4Å; R310-N314 PolarHBondContact O-N 3.43Å; R310-E447 IonicContact CZ-OE1 2.75Å; R310-E447 VanDerWaalsContact CZ-OE1 3.26Å; R310-E447 IonicContact CZ-OE2 3.4Å; R310-E447 VanDerWaalsContact NE-CD 3.34Å; R310-E447 IonicContact NE-OE1 2.61Å; R310-E447 PolarHBondContact NE-OE1 2.79Å; R310-E447 VanDerWaalsContact NE-OE1 3.08Å; R310-E447 IonicContact NE-OE2 3.3Å; R310-E447 PolarHBondContact NE-OE2 2.89Å; R310-E447 IonicContact NH2-OE1 2.73Å; R310-E447 PolarHBondContact NH2-OE1 2.77Å; R310-E447 IonicContact NH2-OE2 3.49Å
311	F	97.6	Very high	96	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.013	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-48.4	174.1	173.6	-102.3	0	0	0	112.3	A307 F308 R313 N314 Y315 W427 W431 V434 V441 M444 L445	A307-F311 PolarHBondContact O-N 3.27Å; F308-F311 HydrophobicContact CE2-CD1 4.49Å; F308-F311 CarbonylContact O-C 3.59Å; F308-F311 WeakPolarHBondContact O-CA 3.33Å; F308-F311 WeakPolarHBondContact O-CB 3.03Å; F308-F311 PolarHBondContact O-N 2.82Å; F308-F311 VanDerWaalsContact O-N 3.11Å; F311-R313 VanDerWaalsContact C-N 3.33Å; F311-R313 PolarHBondContact O-N 2.85Å; F311-N314 PolarHBondContact O-N 3.24Å; F311-Y315 AromaticContact CE1-CD1 3.94Å; F311-Y315 HydrophobicContact CE1-CD1 3.94Å; F311-Y315 HydrophobicContact CE2-CD1 4.32Å; F311-Y315 HydrophobicContact CE2-CG 4.27Å; F311-Y315 AromaticContact CZ-CD1 3.51Å; F311-Y315 HydrophobicContact CZ-CD1 3.51Å; F311-Y315 HydrophobicContact CZ-CE1 4.18Å; F311-Y315 AromaticContact CZ-CG 3.92Å; F311-Y315 HydrophobicContact CZ-CG 3.92Å; F311-Y315 VanDerWaalsContact O-CB 3.29Å; F311-Y315 WeakPolarHBondContact O-CB 3.49Å; F311-Y315 PolarHBondContact O-N 2.98Å; F311-W427 AromaticContact CD1-CH2 3.98Å; F311-W427 HydrophobicContact CD1-CH2 3.98Å; F311-W427 AromaticContact CE1-CH2 3.71Å; F311-W427 HydrophobicContact CE1-CH2 3.71Å; F311-W427 HydrophobicContact CE1-CZ2 4.35Å; F311-W431 HydrophobicContact CD1-CE3 4.38Å; F311-W431 AromaticContact CD1-CZ3 3.93Å; F311-W431 HydrophobicContact CD1-CZ3 3.93Å; F311-W431 AromaticContact CE1-CE3 3.7Å; F311-W431 HydrophobicContact CE1-CE3 3.7Å; F311-W431 AromaticContact CE1-CZ3 3.5Å; F311-W431 HydrophobicContact CE1-CZ3 3.5Å; F311-W431 HydrophobicContact CZ-CZ3 4.3Å; F311-V434 HydrophobicContact CE1-CG2 4.38Å; F311-V434 HydrophobicContact CZ-CG2 3.7Å; F311-V441 HydrophobicContact CE2-CG1 4.35Å; F311-V441 HydrophobicContact CZ-CG1 4.38Å; F311-M444 HydrophobicContact CD2-CB 4.08Å; F311-M444 WeakPolarHBondContact CD2-O 3.49Å; F311-M444 HydrophobicContact CE2-CB 4.14Å; F311-L445 HydrophobicContact CD1-CD1 3.9Å; F311-L445 HydrophobicContact CD2-CB 3.91Å; F311-L445 HydrophobicContact CD2-CD1 3.91Å; F311-L445 HydrophobicContact CE1-CD1 4.03Å; F311-L445 HydrophobicContact CE2-CB 3.72Å; F311-L445 HydrophobicContact CE2-CD1 4.03Å; F311-L445 HydrophobicContact CE2-CG 4.41Å; F311-L445 HydrophobicContact CG-CD1 3.85Å; F311-L445 HydrophobicContact CZ-CB 4.35Å; F311-L445 HydrophobicContact CZ-CD1 4.1Å
312	M	97.9	Very high	96.3	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-51.7	-49.6	176.6	-68.4	-179.7	80.6	0	0	112.4	F308 R310 S316 V329 I332 Y333 W427	F308-M312 HydrophobicContact CD1-CG 4.02Å; F308-M312 HydrophobicContact CD1-SD 3.79Å; F308-M312 HydrophobicContact CE1-CE 4.45Å; F308-M312 HydrophobicContact CE1-CG 3.69Å; F308-M312 HydrophobicContact CE1-SD 3.42Å; F308-M312 WeakPolarHBondContact CE1-SD 3.41Å; F308-M312 HydrophobicContact CZ-CG 3.94Å; F308-M312 HydrophobicContact CZ-SD 4.18Å; F308-M312 WeakPolarHBondContact O-CG 3.25Å; F308-M312 PolarHBondContact O-N 2.84Å; R310-M312 PolarHBondContact O-N 3.17Å; M312-S316 VanDerWaalsContact O-CB 3.31Å; M312-S316 WeakPolarHBondContact O-CB 3.47Å; M312-S316 PolarHBondContact O-N 3.44Å; M312-S316 VanDerWaalsContact O-N 3.09Å; M312-S316 PolarHBondContact O-OG 3.33Å; M312-V329 HydrophobicContact CB-CG1 4.01Å; M312-V329 HydrophobicContact CE-CG1 4.37Å; M312-I332 HydrophobicContact CE-CB 4.04Å; M312-I332 HydrophobicContact CE-CG2 3.95Å; M312-Y333 HydrophobicContact SD-CD2 4.04Å; M312-Y333 HydrophobicContact SD-CG 4.47Å; M312-W427 HydrophobicContact CB-CH2 4.04Å; M312-W427 HydrophobicContact CB-CZ2 4.4Å; M312-W427 HydrophobicContact CB-CZ3 4.25Å; M312-W427 HydrophobicContact CE-CD2 4.04Å; M312-W427 HydrophobicContact CE-CG 4.3Å; M312-W427 HydrophobicContact CE-CZ2 4.42Å; M312-W427 HydrophobicContact CG-CH2 3.69Å; M312-W427 HydrophobicContact CG-CZ2 3.57Å; M312-W427 HydrophobicContact CG-CZ3 4.27Å
313	R	97.8	Very high	96.6	Very high	95 Å²	95	41 Å²	41	36%	0.358	21%	0.205	S	C	.	.	H	α-helix	trans	-67.9	-46.7	179.9	-71.8	176.4	171.1	-165	-0.2	111.8	R309 R310 F311 S316 L317 L326 D330	R309-R313 WeakPolarHBondContact O-CG 3.49Å; R309-R313 PolarHBondContact O-N 3.48Å; R310-R313 PolarHBondContact O-N 2.96Å; F311-R313 VanDerWaalsContact C-N 3.33Å; F311-R313 PolarHBondContact O-N 2.85Å; R313-S316 PolarHBondContact O-N 3.2Å; R313-L317 WeakPolarHBondContact O-CG 3.31Å; R313-L317 PolarHBondContact O-N 2.94Å; R313-L326 HydrophobicContact CB-CD1 4.47Å; R313-L326 HydrophobicContact CB-CD2 4.23Å; R313-L326 HydrophobicContact CG-CD2 4.36Å; R313-D330 IonicContact CZ-OD1 3.08Å; R313-D330 IonicContact CZ-OD2 3.58Å; R313-D330 IonicContact NE-OD1 3.61Å; R313-D330 PolarHBondContact NE-OD1 2.71Å; R313-D330 IonicContact NE-OD2 2.66Å; R313-D330 PolarHBondContact NE-OD2 3.12Å; R313-D330 VanDerWaalsContact NH2-CG 3.28Å; R313-D330 IonicContact NH2-OD1 3.26Å; R313-D330 PolarHBondContact NH2-OD1 3.22Å; R313-D330 VanDerWaalsContact NH2-OD1 3.12Å; R313-D330 IonicContact NH2-OD2 2.8Å; R313-D330 PolarHBondContact NH2-OD2 3.42Å
314	N	97.5	Very high	96.8	Very high	73 Å²	73	39.9 Å²	39.9	39%	0.39	21%	0.212	S	C	.	.	H	α-helix	trans	-64.5	-42.5	-178.3	-70	-8.5	0	0	0	112	R310 F311 L317 L318 M444	R310-N314 WeakPolarHBondContact O-CB 3.4Å; R310-N314 PolarHBondContact O-N 3.43Å; F311-N314 PolarHBondContact O-N 3.24Å; N314-L317 WeakPolarHBondContact O-CB 3.41Å; N314-L317 PolarHBondContact O-N 3.44Å; N314-L318 PolarHBondContact O-N 3.07Å; N314-M444 HydrophobicContact CB-SD 4.08Å
315	Y	97.5	Very high	96.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68.2	-37.2	177.1	-172	-155	0	0	0	111.5	L207 L210 F311 L318 L319 W427 M430 V434 M437 V441	L207-Y315 HydrophobicContact CD2-CE2 4.43Å; L210-Y315 VanDerWaalsContact CD2-OH 3.27Å; L210-Y315 WeakPolarHBondContact CD2-OH 3.15Å; F311-Y315 AromaticContact CE1-CD1 3.94Å; F311-Y315 HydrophobicContact CE1-CD1 3.94Å; F311-Y315 HydrophobicContact CE2-CD1 4.32Å; F311-Y315 HydrophobicContact CE2-CG 4.27Å; F311-Y315 AromaticContact CZ-CD1 3.51Å; F311-Y315 HydrophobicContact CZ-CD1 3.51Å; F311-Y315 HydrophobicContact CZ-CE1 4.18Å; F311-Y315 AromaticContact CZ-CG 3.92Å; F311-Y315 HydrophobicContact CZ-CG 3.92Å; F311-Y315 VanDerWaalsContact O-CB 3.29Å; F311-Y315 WeakPolarHBondContact O-CB 3.49Å; F311-Y315 PolarHBondContact O-N 2.98Å; Y315-L318 HydrophobicContact CD2-CD2 4.35Å; Y315-L318 WeakPolarHBondContact O-CB 3.37Å; Y315-L318 PolarHBondContact O-N 3.12Å; Y315-L319 HydrophobicContact CD2-CD1 3.57Å; Y315-L319 HydrophobicContact CE2-CD1 3.35Å; Y315-L319 HydrophobicContact CG-CD1 4.35Å; Y315-L319 VanDerWaalsContact O-CD1 3.25Å; Y315-L319 WeakPolarHBondContact O-CD1 3.03Å; Y315-L319 PolarHBondContact O-N 2.78Å; Y315-W427 HydrophobicContact CD1-CH2 4.23Å; Y315-W427 HydrophobicContact CD1-CZ3 4.01Å; Y315-M430 HydrophobicContact CD1-CE 3.67Å; Y315-M430 HydrophobicContact CE1-CB 4.05Å; Y315-M430 HydrophobicContact CE1-CE 3.64Å; Y315-M430 HydrophobicContact CE2-CE 4.49Å; Y315-M430 HydrophobicContact CG-CE 4.13Å; Y315-V434 HydrophobicContact CE1-CG2 4.42Å; Y315-M437 WeakPolarHBondContact OH-CG 3.31Å; Y315-M437 PolarHBondContact OH-SD 3.15Å; Y315-M437 VanDerWaalsContact OH-SD 3.35Å; Y315-V441 HydrophobicContact CD2-CG1 3.94Å; Y315-V441 HydrophobicContact CD2-CG2 4.19Å; Y315-V441 HydrophobicContact CE1-CG1 4.29Å; Y315-V441 HydrophobicContact CE2-CB 4.35Å; Y315-V441 HydrophobicContact CE2-CG1 3.61Å; Y315-V441 HydrophobicContact CE2-CG2 3.69Å; Y315-V441 HydrophobicContact CG-CG1 4.43Å
316	S	97.5	Very high	97	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.1	-42.8	171.9	-59.2	0	0	0	0	112.3	M312 R313 L318 L319 G320 V321	M312-S316 VanDerWaalsContact O-CB 3.31Å; M312-S316 WeakPolarHBondContact O-CB 3.47Å; M312-S316 PolarHBondContact O-N 3.44Å; M312-S316 VanDerWaalsContact O-N 3.09Å; M312-S316 PolarHBondContact O-OG 3.33Å; R313-S316 PolarHBondContact O-N 3.2Å; S316-L318 VanDerWaalsContact C-N 3.33Å; S316-L318 PolarHBondContact O-N 2.88Å; S316-L319 PolarHBondContact O-N 2.84Å; S316-G320 PolarHBondContact O-N 3.46Å; S316-V321 VanDerWaalsContact O-CB 3.29Å; S316-V321 WeakPolarHBondContact O-CB 3.23Å; S316-V321 WeakPolarHBondContact O-CG2 3.28Å; S316-V321 PolarHBondContact O-N 3.17Å
317	L	97.4	Very high	97	Very high	66 Å²	66	45 Å²	45	35%	0.346	23%	0.232	S	C	.	.	H	α-helix	trans	-59.6	-42.4	172.6	-74.8	171.2	0	0	0	111.6	R313 N314 L319 G320 V321 N323 L326	R313-L317 WeakPolarHBondContact O-CG 3.31Å; R313-L317 PolarHBondContact O-N 2.94Å; N314-L317 WeakPolarHBondContact O-CB 3.41Å; N314-L317 PolarHBondContact O-N 3.44Å; L317-L319 VanDerWaalsContact C-N 3.34Å; L317-L319 PolarHBondContact O-N 2.9Å; L317-G320 WeakPolarHBondContact O-CA 3.48Å; L317-G320 PolarHBondContact O-N 3.43Å; L317-V321 WeakPolarHBondContact CD2-O 3.22Å; L317-N323 HydrophobicContact CD2-CB 4.35Å; L317-L326 HydrophobicContact CD1-CD1 4.19Å; L317-L326 HydrophobicContact CD2-CD1 4.05Å; L317-L326 HydrophobicContact CD2-CD2 4.28Å; L317-L326 HydrophobicContact CD2-CG 4.4Å; L317-L326 HydrophobicContact CG-CD1 4.14Å; L317-L326 HydrophobicContact CG-CD2 4.12Å
318	L	96.2	Very high	97	Very high	58 Å²	58	45.9 Å²	45.9	30%	0.304	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-37.2	177.8	-174.2	70.6	0	0	0	112.4	L207 N314 Y315 S316 G320 V441 M444	L207-L318 HydrophobicContact CD1-CD2 4.21Å; L207-L318 HydrophobicContact CD1-CG 4.05Å; N314-L318 PolarHBondContact O-N 3.07Å; Y315-L318 HydrophobicContact CD2-CD2 4.35Å; Y315-L318 WeakPolarHBondContact O-CB 3.37Å; Y315-L318 PolarHBondContact O-N 3.12Å; S316-L318 VanDerWaalsContact C-N 3.33Å; S316-L318 PolarHBondContact O-N 2.88Å; L318-G320 PolarHBondContact O-N 3.12Å; L318-V441 HydrophobicContact CD2-CG2 3.8Å; L318-M444 HydrophobicContact CB-CE 4.08Å; L318-M444 HydrophobicContact CB-SD 4.32Å; L318-M444 HydrophobicContact CD1-CE 3.94Å; L318-M444 HydrophobicContact CD2-CE 3.93Å; L318-M444 HydrophobicContact CD2-SD 4.12Å; L318-M444 HydrophobicContact CG-CE 4.19Å
319	L	96.5	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.9	-13.7	171	-92.3	80.6	0	0	0	113.2	L207 L210 Y211 I214 W221 L224 N228 Y315 S316 L317 M430	L207-L319 HydrophobicContact CD1-CD1 3.79Å; L207-L319 HydrophobicContact CD1-CG 4.05Å; L210-L319 HydrophobicContact CD2-CD1 4.14Å; L210-L319 HydrophobicContact CD2-CD2 4.02Å; L210-L319 HydrophobicContact CD2-CG 4.43Å; Y211-L319 HydrophobicContact CE1-CB 4.21Å; Y211-L319 HydrophobicContact CE1-CD2 4.19Å; Y211-L319 HydrophobicContact CE1-CG 3.89Å; Y211-L319 WeakPolarHBondContact OH-CA 3.47Å; Y211-L319 PolarHBondContact OH-O 2.04Å; Y211-L319 VanDerWaalsContact OH-O 3.08Å; I214-L319 HydrophobicContact CD1-CD2 3.77Å; W221-L319 HydrophobicContact CE3-CD2 4.23Å; W221-L319 HydrophobicContact CZ3-CD2 4.04Å; L224-L319 HydrophobicContact CD2-CB 4.15Å; L224-L319 VanDerWaalsContact CD2-O 3.28Å; L224-L319 WeakPolarHBondContact CD2-O 3.47Å; N228-L319 PolarHBondContact ND2-O 2.65Å; Y315-L319 HydrophobicContact CD2-CD1 3.57Å; Y315-L319 HydrophobicContact CE2-CD1 3.35Å; Y315-L319 HydrophobicContact CG-CD1 4.35Å; Y315-L319 VanDerWaalsContact O-CD1 3.25Å; Y315-L319 WeakPolarHBondContact O-CD1 3.03Å; Y315-L319 PolarHBondContact O-N 2.78Å; S316-L319 PolarHBondContact O-N 2.84Å; L317-L319 VanDerWaalsContact C-N 3.34Å; L317-L319 PolarHBondContact O-N 2.9Å; L319-M430 HydrophobicContact CD1-CE 3.75Å; L319-M430 HydrophobicContact CD2-CE 3.72Å; L319-M430 HydrophobicContact CD2-SD 3.8Å; L319-M430 HydrophobicContact CG-CE 4.34Å
320	G	96.8	Very high	97.1	Very high	29 Å²	29	42.8 Å²	42.8	30%	0.299	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.6	14.2	178.2	0	0	0	0	0	115.4	P225 S316 L317 L318	P225-G320 WeakPolarHBondContact CD-O 3.43Å; S316-G320 PolarHBondContact O-N 3.46Å; L317-G320 WeakPolarHBondContact O-CA 3.48Å; L317-G320 PolarHBondContact O-N 3.43Å; L318-G320 PolarHBondContact O-N 3.12Å
321	V	97.6	Very high	97.1	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	22%	0.222	C	C	.	.			trans	-61.3	128.7	171.6	174.7	0	0	0	0	109.4	W221 L223 L224 S316 L317 L326	W221-V321 HydrophobicContact CE3-CG2 4.21Å; W221-V321 HydrophobicContact CH2-CG2 4.07Å; W221-V321 HydrophobicContact CZ3-CG2 3.84Å; L223-V321 HydrophobicContact CB-CB 4.47Å; L223-V321 HydrophobicContact CB-CG1 3.97Å; L223-V321 HydrophobicContact CB-CG2 3.74Å; L223-V321 HydrophobicContact CD1-CG1 4.43Å; L224-V321 HydrophobicContact CD2-CG2 3.71Å; S316-V321 VanDerWaalsContact O-CB 3.29Å; S316-V321 WeakPolarHBondContact O-CB 3.23Å; S316-V321 WeakPolarHBondContact O-CG2 3.28Å; S316-V321 PolarHBondContact O-N 3.17Å; L317-V321 WeakPolarHBondContact CD2-O 3.22Å; V321-L326 HydrophobicContact CG1-CD2 4.38Å
322	P	97.1	Very high	97.1	Very high	45 Å²	45	40.6 Å²	40.6	29%	0.292	22%	0.221	S	C	.	.			trans	-64.6	144.4	179.5	-22.6	34.5	0	0	0	112.1	L223 P225 S324 S325	L223-P322 WeakPolarHBondContact O-CD 3.28Å; P225-P322 HydrophobicContact CB-CG 4.43Å; P322-S324 PolarHBondContact O-N 2.8Å; P322-S324 VanDerWaalsContact O-N 3.09Å; P322-S325 WeakPolarHBondContact O-CA 3.49Å; P322-S325 WeakPolarHBondContact O-CB 3.49Å; P322-S325 PolarHBondContact O-N 2.86Å
323	N	96.8	Very high	97.1	Very high	124 Å²	124	41 Å²	41	66%	0.663	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-56.3	-30.7	179.2	-172.1	77.4	0	0	0	113.3	L317 S325 L326	L317-N323 HydrophobicContact CD2-CB 4.35Å; N323-S325 PolarHBondContact O-N 3.4Å; N323-L326 PolarHBondContact O-N 2.7Å; N323-L326 WeakPolarHBondContact OD1-CD1 3.21Å
324	S	96.7	Very high	97	Very high	93 Å²	93	40.2 Å²	40.2	65%	0.65	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-63.3	-26.7	173.5	50.9	0	0	0	0	114.1	P322 H327	P322-S324 PolarHBondContact O-N 2.8Å; P322-S324 VanDerWaalsContact O-N 3.09Å; S324-H327 PolarHBondContact O-CE1 3.46Å; S324-H327 PolarHBondContact O-ND1 2.98Å
325	S	96.1	Very high	97.1	Very high	25 Å²	25	36.7 Å²	36.7	18%	0.175	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-95.6	-1.9	-175.5	-58.9	0	0	0	0	113.5	P322 N323 H327 E328	P322-S325 WeakPolarHBondContact O-CA 3.49Å; P322-S325 WeakPolarHBondContact O-CB 3.49Å; P322-S325 PolarHBondContact O-N 2.86Å; N323-S325 PolarHBondContact O-N 3.4Å; S325-H327 PolarHBondContact O-N 2.83Å; S325-H327 VanDerWaalsContact O-N 3.1Å; S325-E328 WeakPolarHBondContact O-CB 3.46Å; S325-E328 PolarHBondContact O-N 2.8Å
326	L	96.3	Very high	97.1	Very high	14 Å²	14	37 Å²	37	7%	0.073	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-20.7	-180	-70.4	178.9	0	0	0	114.2	R313 L317 V321 N323 E328 V329 D330	R313-L326 HydrophobicContact CB-CD1 4.47Å; R313-L326 HydrophobicContact CB-CD2 4.23Å; R313-L326 HydrophobicContact CG-CD2 4.36Å; L317-L326 HydrophobicContact CD1-CD1 4.19Å; L317-L326 HydrophobicContact CD2-CD1 4.05Å; L317-L326 HydrophobicContact CD2-CD2 4.28Å; L317-L326 HydrophobicContact CD2-CG 4.4Å; L317-L326 HydrophobicContact CG-CD1 4.14Å; L317-L326 HydrophobicContact CG-CD2 4.12Å; V321-L326 HydrophobicContact CG1-CD2 4.38Å; N323-L326 PolarHBondContact O-N 2.7Å; N323-L326 WeakPolarHBondContact OD1-CD1 3.21Å; L326-E328 PolarHBondContact O-N 2.81Å; L326-V329 HydrophobicContact CD2-CG2 4.22Å; L326-V329 WeakPolarHBondContact O-CA 3.43Å; L326-V329 WeakPolarHBondContact O-CB 3.47Å; L326-V329 PolarHBondContact O-N 3.23Å; L326-D330 PolarHBondContact O-N 3.02Å; L326-D330 VanDerWaalsContact O-N 3.13Å
327	H	96.4	Very high	97.1	Very high	105 Å²	105	38.9 Å²	38.9	49%	0.486	21%	0.214	S	C	.	.	H	α-helix	trans	-64.2	-28.6	173	73.4	-85.6	0	0	0	112.5	S324 S325 V329 D330 Q331	S324-H327 PolarHBondContact O-CE1 3.46Å; S324-H327 PolarHBondContact O-ND1 2.98Å; S325-H327 PolarHBondContact O-N 2.83Å; S325-H327 VanDerWaalsContact O-N 3.1Å; H327-V329 VanDerWaalsContact C-N 3.29Å; H327-D330 PolarHBondContact O-N 2.95Å; H327-Q331 WeakPolarHBondContact O-CG 3.39Å; H327-Q331 PolarHBondContact O-N 3.02Å
328	E	96.5	Very high	97.1	Very high	20 Å²	20	38 Å²	38	9%	0.093	21%	0.208	C	C	.	.	H	α-helix	trans	-72.2	-24.2	171.7	-63.5	-173.3	-118.4	0	0	111.7	L223 S325 L326 Q331 I332 R419	L223-E328 HydrophobicContact CD1-CB 4.1Å; L223-E328 HydrophobicContact CD2-CB 3.74Å; L223-E328 HydrophobicContact CD2-CG 4.11Å; L223-E328 WeakPolarHBondContact CD2-OE2 3.39Å; S325-E328 WeakPolarHBondContact O-CB 3.46Å; S325-E328 PolarHBondContact O-N 2.8Å; L326-E328 PolarHBondContact O-N 2.81Å; E328-Q331 WeakPolarHBondContact O-CB 3.47Å; E328-Q331 PolarHBondContact O-N 3.41Å; E328-I332 PolarHBondContact O-N 3.36Å; E328-R419 IonicContact OE1-NH2 3.17Å; E328-R419 PolarHBondContact OE1-NH2 2.74Å; E328-R419 IonicContact OE2-CZ 3.64Å; E328-R419 IonicContact OE2-NE 2.74Å; E328-R419 PolarHBondContact OE2-NE 3.25Å; E328-R419 IonicContact OE2-NH2 2.76Å; E328-R419 PolarHBondContact OE2-NH2 3.25Å
329	V	97.6	Very high	97.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-74.1	-36.5	171.9	-176.1	0	0	0	0	110.9	L223 M312 L326 H327 Q331 I332 Y333	L223-V329 HydrophobicContact CD1-CG2 3.95Å; M312-V329 HydrophobicContact CB-CG1 4.01Å; M312-V329 HydrophobicContact CE-CG1 4.37Å; L326-V329 HydrophobicContact CD2-CG2 4.22Å; L326-V329 WeakPolarHBondContact O-CA 3.43Å; L326-V329 WeakPolarHBondContact O-CB 3.47Å; L326-V329 PolarHBondContact O-N 3.23Å; H327-V329 VanDerWaalsContact C-N 3.29Å; V329-Q331 VanDerWaalsContact C-N 3.28Å; V329-Q331 PolarHBondContact O-N 3.26Å; V329-I332 HydrophobicContact CG1-CD1 4.44Å; V329-I332 WeakPolarHBondContact O-CB 3.49Å; V329-I332 PolarHBondContact O-N 2.84Å; V329-Y333 PolarHBondContact O-N 3.33Å
330	D	97.4	Very high	97.2	Very high	33 Å²	33	35.2 Å²	35.2	18%	0.176	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-32.5	171	-66.7	-68.1	0	0	0	112.5	R309 R313 L326 H327 I332 Y333 E334	R309-D330 IonicContact CZ-OD1 3.14Å; R309-D330 IonicContact NE-OD1 2.77Å; R309-D330 IonicContact NH2-OD1 3.59Å; R309-D330 PolarHBondContact NH2-OD1 3.38Å; R313-D330 IonicContact CZ-OD1 3.08Å; R313-D330 IonicContact CZ-OD2 3.58Å; R313-D330 IonicContact NE-OD1 3.61Å; R313-D330 PolarHBondContact NE-OD1 2.71Å; R313-D330 IonicContact NE-OD2 2.66Å; R313-D330 PolarHBondContact NE-OD2 3.12Å; R313-D330 VanDerWaalsContact NH2-CG 3.28Å; R313-D330 IonicContact NH2-OD1 3.26Å; R313-D330 PolarHBondContact NH2-OD1 3.22Å; R313-D330 VanDerWaalsContact NH2-OD1 3.12Å; R313-D330 IonicContact NH2-OD2 2.8Å; R313-D330 PolarHBondContact NH2-OD2 3.42Å; L326-D330 PolarHBondContact O-N 3.02Å; L326-D330 VanDerWaalsContact O-N 3.13Å; H327-D330 PolarHBondContact O-N 2.95Å; D330-I332 VanDerWaalsContact C-N 3.25Å; D330-I332 PolarHBondContact O-N 3.49Å; D330-Y333 PolarHBondContact O-N 3.43Å; D330-E334 PolarHBondContact O-N 3.24Å
331	Q	97.5	Very high	97.1	Very high	65 Å²	65	37.6 Å²	37.6	30%	0.304	20%	0.199	S	C	.	.	H	α-helix	trans	-65.2	-27.5	174.3	-70.6	171.9	-2.1	0	0	112.9	H327 E328 V329 F335 T420	H327-Q331 WeakPolarHBondContact O-CG 3.39Å; H327-Q331 PolarHBondContact O-N 3.02Å; E328-Q331 WeakPolarHBondContact O-CB 3.47Å; E328-Q331 PolarHBondContact O-N 3.41Å; V329-Q331 VanDerWaalsContact C-N 3.28Å; V329-Q331 PolarHBondContact O-N 3.26Å; Q331-F335 WeakPolarHBondContact O-CB 3.43Å; Q331-F335 PolarHBondContact O-N 2.92Å; Q331-T420 HydrophobicContact CB-CG2 4.15Å
332	I	97.8	Very high	97	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-48	172.2	-57.6	167.5	0	0	0	109.9	W221 M312 E328 V329 D330 E334 F335 E336 N423 A424 W427	W221-I332 HydrophobicContact CZ2-CD1 4.47Å; M312-I332 HydrophobicContact CE-CB 4.04Å; M312-I332 HydrophobicContact CE-CG2 3.95Å; E328-I332 PolarHBondContact O-N 3.36Å; V329-I332 HydrophobicContact CG1-CD1 4.44Å; V329-I332 WeakPolarHBondContact O-CB 3.49Å; V329-I332 PolarHBondContact O-N 2.84Å; D330-I332 VanDerWaalsContact C-N 3.25Å; D330-I332 PolarHBondContact O-N 3.49Å; I332-E334 VanDerWaalsContact C-N 3.33Å; I332-E334 PolarHBondContact O-N 2.99Å; I332-F335 PolarHBondContact O-N 2.77Å; I332-E336 PolarHBondContact O-N 3.33Å; I332-N423 HydrophobicContact CD1-CB 3.85Å; I332-N423 HydrophobicContact CG1-CB 3.82Å; I332-A424 HydrophobicContact CG2-CB 4.02Å; I332-W427 HydrophobicContact CD1-CB 4.01Å; I332-W427 HydrophobicContact CG2-CB 3.87Å; I332-W427 HydrophobicContact CG2-CG 3.88Å
333	Y	97.4	Very high	97	Very high	13 Å²	13	38.5 Å²	38.5	5%	0.051	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-42.3	177.9	178.6	-87.1	0	0	0	111.7	L288 Y293 T305 F308 R309 M312 V329 D330 E336 K337	L288-Y333 HydrophobicContact CD1-CE2 4.36Å; Y293-Y333 HydrophobicContact CD1-CE1 4.44Å; Y293-Y333 AromaticContact CD1-CE2 3.93Å; Y293-Y333 HydrophobicContact CD1-CE2 3.93Å; Y293-Y333 AromaticContact CD1-CZ 3.86Å; Y293-Y333 HydrophobicContact CE1-CD2 4.05Å; Y293-Y333 AromaticContact CE1-CE2 3.73Å; Y293-Y333 HydrophobicContact CE1-CE2 3.73Å; T305-Y333 WeakPolarHBondContact CB-OH 3.37Å; T305-Y333 VanDerWaalsContact CG2-OH 3.31Å; T305-Y333 WeakPolarHBondContact CG2-OH 3.36Å; F308-Y333 HydrophobicContact CD1-CD2 4.24Å; F308-Y333 HydrophobicContact CD1-CE2 4.35Å; F308-Y333 HydrophobicContact CE1-CD2 4.47Å; R309-Y333 HydrophobicContact CG-CD1 4.36Å; R309-Y333 HydrophobicContact CG-CD2 3.54Å; R309-Y333 HydrophobicContact CG-CE2 3.76Å; R309-Y333 HydrophobicContact CG-CG 3.87Å; M312-Y333 HydrophobicContact SD-CD2 4.04Å; M312-Y333 HydrophobicContact SD-CG 4.47Å; V329-Y333 PolarHBondContact O-N 3.33Å; D330-Y333 PolarHBondContact O-N 3.43Å; Y333-E336 PolarHBondContact O-N 3.24Å; Y333-K337 PolarHBondContact O-N 3Å
334	E	97.2	Very high	96.8	Very high	77 Å²	77	33.1 Å²	33.1	36%	0.36	17%	0.168	S	C	.	.	H	α-helix	trans	-67	-37.4	176.3	-174.7	54.5	-141.4	0	0	111.8	D330 I332 K337 Q338	D330-E334 PolarHBondContact O-N 3.24Å; I332-E334 VanDerWaalsContact C-N 3.33Å; I332-E334 PolarHBondContact O-N 2.99Å; E334-K337 WeakPolarHBondContact O-CB 3.06Å; E334-K337 PolarHBondContact O-N 2.84Å; E334-Q338 WeakPolarHBondContact O-CG 3.34Å; E334-Q338 PolarHBondContact O-N 3.16Å; E334-Q338 PolarHBondContact OE1-NE2 3.21Å
335	F	98	Very high	96.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-44.2	172.4	172.9	-106.5	0	0	0	112.1	P261 Q331 I332 K337 Q338 I339 L407 F408 Y411 T420 L421 A424	P261-F335 HydrophobicContact CB-CE1 3.99Å; P261-F335 HydrophobicContact CB-CZ 4.42Å; P261-F335 HydrophobicContact CG-CE1 4.34Å; Q331-F335 WeakPolarHBondContact O-CB 3.43Å; Q331-F335 PolarHBondContact O-N 2.92Å; I332-F335 PolarHBondContact O-N 2.77Å; F335-K337 VanDerWaalsContact C-N 3.31Å; F335-K337 PolarHBondContact O-N 2.8Å; F335-Q338 WeakPolarHBondContact O-CB 3.39Å; F335-Q338 PolarHBondContact O-N 2.87Å; F335-Q338 VanDerWaalsContact O-N 3.13Å; F335-I339 HydrophobicContact CE1-CG1 4.11Å; F335-I339 HydrophobicContact CE2-CD1 4.21Å; F335-I339 HydrophobicContact CE2-CG1 4.18Å; F335-I339 HydrophobicContact CZ-CD1 3.95Å; F335-I339 HydrophobicContact CZ-CG1 3.89Å; F335-I339 WeakPolarHBondContact O-CG1 3.42Å; F335-I339 PolarHBondContact O-N 3.49Å; F335-L407 HydrophobicContact CD2-CD2 4.48Å; F335-L407 HydrophobicContact CE2-CD2 4.13Å; F335-F408 HydrophobicContact CZ-CE1 4.32Å; F335-F408 AromaticContact CZ-CE2 3.91Å; F335-F408 HydrophobicContact CZ-CE2 3.91Å; F335-F408 AromaticContact CZ-CZ 3.79Å; F335-F408 HydrophobicContact CZ-CZ 3.79Å; F335-Y411 HydrophobicContact CB-CE1 4.43Å; F335-Y411 HydrophobicContact CD2-CD1 4.19Å; F335-Y411 AromaticContact CD2-CE1 3.71Å; F335-Y411 HydrophobicContact CD2-CE1 3.71Å; F335-Y411 HydrophobicContact CD2-CE2 4.13Å; F335-Y411 AromaticContact CD2-CZ 3.67Å; F335-Y411 HydrophobicContact CE2-CE1 4.45Å; F335-Y411 HydrophobicContact CG-CE1 4.39Å; F335-T420 HydrophobicContact CB-CG2 3.91Å; F335-T420 HydrophobicContact CG-CG2 4.43Å; F335-L421 HydrophobicContact CD2-CD2 4.33Å; F335-L421 HydrophobicContact CE1-CD2 4.16Å; F335-L421 HydrophobicContact CE2-CD2 3.54Å; F335-L421 HydrophobicContact CZ-CD2 3.44Å; F335-L421 VanDerWaalsContact CZ-CD2 3.44Å; F335-A424 HydrophobicContact CD1-CB 3.58Å; F335-A424 HydrophobicContact CE1-CB 3.88Å
336	E	97.6	Very high	95.9	Very high	7 Å²	7	33.7 Å²	33.7	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-61	-39	173	-70.7	-168.5	142.9	0	0	112.1	L286 S287 Y293 I332 Y333 Q338 I339 A340	L286-E336 HydrophobicContact CD2-CB 4.12Å; L286-E336 WeakPolarHBondContact CD2-O 3.18Å; S287-E336 VanDerWaalsContact CB-OE1 3.25Å; S287-E336 WeakPolarHBondContact CB-OE1 3.1Å; S287-E336 WeakPolarHBondContact CB-OE2 3.46Å; S287-E336 PolarHBondContact N-OE1 2.97Å; S287-E336 VanDerWaalsContact N-OE1 3.11Å; S287-E336 PolarHBondContact OG-OE1 3.38Å; S287-E336 PolarHBondContact OG-OE2 2.79Å; Y293-E336 HydrophobicContact CE1-CB 3.67Å; Y293-E336 PolarHBondContact OH-OE2 3.38Å; I332-E336 PolarHBondContact O-N 3.33Å; Y333-E336 PolarHBondContact O-N 3.24Å; E336-Q338 VanDerWaalsContact C-N 3.33Å; E336-Q338 PolarHBondContact O-N 3.41Å; E336-I339 PolarHBondContact O-N 2.97Å; E336-I339 VanDerWaalsContact O-N 3.15Å; E336-A340 WeakPolarHBondContact O-CB 3.36Å; E336-A340 PolarHBondContact O-N 3.41Å
337	K	97.2	Very high	95.4	Very high	39 Å²	39	34.1 Å²	34.1	17%	0.17	16%	0.159	C	C	.	.	H	α-helix	trans	-60.4	-41	172.4	179.9	166.6	-177.3	176.7	0	112	Y293 D296 Y333 E334 F335 I339 A340 L341	Y293-K337 HydrophobicContact CD1-CB 3.97Å; Y293-K337 HydrophobicContact CG-CB 4.45Å; Y293-K337 VanDerWaalsContact O-CE 3.25Å; Y293-K337 WeakPolarHBondContact O-CE 3.46Å; D296-K337 IonicContact OD1-NZ 2.67Å; D296-K337 IonicContact OD2-NZ 2.82Å; D296-K337 PolarHBondContact OD2-NZ 2.63Å; Y333-K337 PolarHBondContact O-N 3Å; E334-K337 WeakPolarHBondContact O-CB 3.06Å; E334-K337 PolarHBondContact O-N 2.84Å; F335-K337 VanDerWaalsContact C-N 3.31Å; F335-K337 PolarHBondContact O-N 2.8Å; K337-I339 VanDerWaalsContact C-N 3.33Å; K337-I339 PolarHBondContact O-N 3.4Å; K337-A340 PolarHBondContact O-N 3.39Å; K337-L341 HydrophobicContact CG-CD1 4.23Å; K337-L341 VanDerWaalsContact O-CG 3.32Å; K337-L341 WeakPolarHBondContact O-CG 3.47Å; K337-L341 PolarHBondContact O-N 3.03Å
338	Q	97.6	Very high	95	Very high	47 Å²	47	33.2 Å²	33.2	22%	0.22	16%	0.155	C	C	.	.	H	α-helix	trans	-66.7	-30.9	174.5	-66.5	-56.2	-43.1	0	0	113.1	E334 F335 E336 R342 L407	E334-Q338 WeakPolarHBondContact O-CG 3.34Å; E334-Q338 PolarHBondContact O-N 3.16Å; E334-Q338 PolarHBondContact OE1-NE2 3.21Å; F335-Q338 WeakPolarHBondContact O-CB 3.39Å; F335-Q338 PolarHBondContact O-N 2.87Å; F335-Q338 VanDerWaalsContact O-N 3.13Å; E336-Q338 VanDerWaalsContact C-N 3.33Å; E336-Q338 PolarHBondContact O-N 3.41Å; Q338-R342 PolarHBondContact O-NH1 2.93Å; Q338-L407 HydrophobicContact CB-CD1 4.15Å; Q338-L407 HydrophobicContact CB-CD2 3.72Å
339	I	97.6	Very high	94.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-70.9	-45.9	170.6	-65	-69.7	0	0	0	110.7	L286 F335 E336 K337 L341 R342 T343 R404 L407 F408	L286-I339 HydrophobicContact CD2-CB 3.91Å; L286-I339 HydrophobicContact CD2-CG2 3.7Å; L286-I339 HydrophobicContact CG-CG2 4.29Å; F335-I339 HydrophobicContact CE1-CG1 4.11Å; F335-I339 HydrophobicContact CE2-CD1 4.21Å; F335-I339 HydrophobicContact CE2-CG1 4.18Å; F335-I339 HydrophobicContact CZ-CD1 3.95Å; F335-I339 HydrophobicContact CZ-CG1 3.89Å; F335-I339 WeakPolarHBondContact O-CG1 3.42Å; F335-I339 PolarHBondContact O-N 3.49Å; E336-I339 PolarHBondContact O-N 2.97Å; E336-I339 VanDerWaalsContact O-N 3.15Å; K337-I339 VanDerWaalsContact C-N 3.33Å; K337-I339 PolarHBondContact O-N 3.4Å; I339-L341 VanDerWaalsContact C-N 3.32Å; I339-L341 PolarHBondContact O-N 3.17Å; I339-R342 CarbonylContact O-C 3.41Å; I339-R342 WeakPolarHBondContact O-CA 3.34Å; I339-R342 PolarHBondContact O-N 3.02Å; I339-T343 PolarHBondContact O-N 3.25Å; I339-T343 PolarHBondContact O-OG1 3.06Å; I339-R404 HydrophobicContact CD1-CB 4.46Å; I339-R404 HydrophobicContact CD1-CG 4.21Å; I339-L407 HydrophobicContact CD1-CD2 3.72Å; I339-L407 HydrophobicContact CG1-CD2 4.2Å; I339-F408 HydrophobicContact CD1-CD2 4.29Å; I339-F408 HydrophobicContact CD1-CE2 3.74Å
340	A	96.8	Very high	93.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-38.2	179.7	0	0	0	0	0	113.2	L286 R290 Y293 V294 E336 K337 R342 T343	L286-A340 HydrophobicContact CD1-CB 3.81Å; L286-A340 HydrophobicContact CD2-CB 4.28Å; R290-A340 HydrophobicContact CG-CB 4.19Å; R290-A340 PolarHBondContact NE-O 3.43Å; Y293-A340 HydrophobicContact CD2-CB 3.63Å; Y293-A340 HydrophobicContact CE2-CB 4.41Å; Y293-A340 HydrophobicContact CG-CB 3.9Å; V294-A340 HydrophobicContact CG2-CB 4.48Å; E336-A340 WeakPolarHBondContact O-CB 3.36Å; E336-A340 PolarHBondContact O-N 3.41Å; K337-A340 PolarHBondContact O-N 3.39Å; A340-R342 PolarHBondContact O-N 3.14Å; A340-T343 PolarHBondContact O-N 2.67Å
341	L	96.3	Very high	93.4	Very high	78 Å²	78	38.9 Å²	38.9	41%	0.408	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.9	172	-72.2	166.1	0	0	0	113.6	V294 K337 I339	V294-L341 HydrophobicContact CG1-CD2 4.3Å; V294-L341 HydrophobicContact CG2-CD2 4.13Å; K337-L341 HydrophobicContact CG-CD1 4.23Å; K337-L341 VanDerWaalsContact O-CG 3.32Å; K337-L341 WeakPolarHBondContact O-CG 3.47Å; K337-L341 PolarHBondContact O-N 3.03Å; I339-L341 VanDerWaalsContact C-N 3.32Å; I339-L341 PolarHBondContact O-N 3.17Å
342	R	96.1	Very high	93	Very high	64 Å²	64	39.9 Å²	39.9	24%	0.242	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	36.4	178.9	-63.5	170.8	-179.4	76.2	0.4	111.1	Q338 I339 A340 F400 E403 R404	Q338-R342 PolarHBondContact O-NH1 2.93Å; I339-R342 CarbonylContact O-C 3.41Å; I339-R342 WeakPolarHBondContact O-CA 3.34Å; I339-R342 PolarHBondContact O-N 3.02Å; A340-R342 PolarHBondContact O-N 3.14Å; R342-F400 WeakPolarHBondContact O-CB 3.31Å; R342-E403 HydrophobicContact CB-CB 4.07Å; R342-E403 HydrophobicContact CG-CB 3.97Å; R342-R404 HydrophobicContact CB-CG 3.8Å; R342-R404 VanDerWaalsContact O-CG 3.27Å; R342-R404 WeakPolarHBondContact O-CG 3.32Å; R342-R404 PolarHBondContact O-NH1 3.45Å
343	T	95.1	Very high	92.7	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.025	21%	0.206	C	C	.	.	S	Bend	trans	-129.5	141.2	172.5	-67.4	0	0	0	0	108.3	E283 R290 I339 A340	E283-T343 HydrophobicContact CB-CG2 3.85Å; E283-T343 HydrophobicContact CG-CG2 3.98Å; R290-T343 PolarHBondContact NE-O 2.89Å; I339-T343 PolarHBondContact O-N 3.25Å; I339-T343 PolarHBondContact O-OG1 3.06Å; A340-T343 PolarHBondContact O-N 2.67Å
344	E	92.6	Very high	92.4	Very high	11 Å²	11	44.3 Å²	44.3	5%	0.051	21%	0.205	C	C	.	.			trans	-64.4	137.7	-178.8	-167.9	145.8	-136.5	0	0	111.9	R349 K353 N354 F400	E344-R349 HydrophobicContact CB-CG 4.43Å; E344-R349 HydrophobicContact CG-CG 4.01Å; E344-K353 IonicContact OE1-NZ 3.78Å; E344-N354 PolarHBondContact OE1-ND2 2.68Å; E344-N354 PolarHBondContact OE2-ND2 3.3Å; E344-F400 HydrophobicContact CB-CD2 3.63Å; E344-F400 HydrophobicContact CB-CE2 3.46Å; E344-F400 VanDerWaalsContact CB-CE2 3.46Å; E344-F400 HydrophobicContact CB-CG 4.29Å; E344-F400 HydrophobicContact CB-CZ 3.97Å; E344-F400 VanDerWaalsContact CD-CE2 3.46Å; E344-F400 HydrophobicContact CG-CD2 4.26Å; E344-F400 HydrophobicContact CG-CE2 3.62Å; E344-F400 HydrophobicContact CG-CZ 4.09Å
345	D	89.8	Confident	92.3	Very high	46 Å²	46	41 Å²	41	25%	0.246	19%	0.189	C	C	.	.			trans	-64.7	132.1	173	-163.6	-70	0	0	0	110.4	R290 S347 E348 R349	R290-D345 IonicContact CZ-OD2 3.38Å; R290-D345 IonicContact NH1-OD2 3.38Å; R290-D345 PolarHBondContact NH1-OD2 3.45Å; R290-D345 IonicContact NH2-OD2 3.63Å; R290-D345 PolarHBondContact NH2-OD2 3.5Å; D345-S347 PolarHBondContact O-N 3.35Å; D345-S347 VanDerWaalsContact O-N 3.15Å; D345-S347 WeakPolarHBondContact OD1-CB 3.39Å; D345-S347 PolarHBondContact OD1-N 2.69Å; D345-S347 PolarHBondContact OD1-OG 3.36Å; D345-E348 HydrophobicContact CB-CB 4.19Å; D345-E348 HydrophobicContact CB-CG 4.18Å; D345-E348 PolarHBondContact O-N 2.92Å; D345-R349 WeakPolarHBondContact O-CG 3.5Å; D345-R349 PolarHBondContact O-N 3.42Å
346	R	86.1	Confident	92.2	Very high	84 Å²	84	43.1 Å²	43.1	32%	0.317	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-53.3	-37.7	179.6	-75.3	-168.7	-178.5	100.7	-0.9	112.9	E291 E348 R349	E291-R346 IonicContact OE2-NH1 2.71Å; E291-R346 PolarHBondContact OE2-NH1 2.88Å; R346-E348 VanDerWaalsContact C-N 3.26Å; R346-E348 PolarHBondContact O-N 2.74Å; R346-R349 PolarHBondContact O-N 3.09Å
347	S	84.4	Confident	92.2	Very high	23 Å²	23	45.5 Å²	45.5	16%	0.161	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-77.4	-9.1	-178	66	0	0	0	0	114.2	D345 K692	D345-S347 PolarHBondContact O-N 3.35Å; D345-S347 VanDerWaalsContact O-N 3.15Å; D345-S347 WeakPolarHBondContact OD1-CB 3.39Å; D345-S347 PolarHBondContact OD1-N 2.69Å; D345-S347 PolarHBondContact OD1-OG 3.36Å; S347-K692 WeakPolarHBondContact O-CD 3.42Å; S347-K692 WeakPolarHBondContact O-CE 3.37Å
348	E	87.5	Confident	92.2	Very high	86 Å²	86	44.3 Å²	44.3	40%	0.402	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-111.5	1.2	176.7	-62.8	-58.2	145.5	0	0	113.4	D345 R346 D350 K692	D345-E348 HydrophobicContact CB-CB 4.19Å; D345-E348 HydrophobicContact CB-CG 4.18Å; D345-E348 PolarHBondContact O-N 2.92Å; R346-E348 VanDerWaalsContact C-N 3.26Å; R346-E348 PolarHBondContact O-N 2.74Å; E348-D350 PolarHBondContact O-N 3.27Å; E348-K692 IonicContact OE1-NZ 2.77Å; E348-K692 PolarHBondContact OE1-NZ 2.68Å; E348-K692 IonicContact OE2-NZ 3.95Å; E348-K692 PolarHBondContact OE2-NZ 3.16Å
349	R	86.7	Confident	92.2	Very high	91 Å²	91	43.8 Å²	43.8	34%	0.343	21%	0.208	S	C	.	.			trans	-64.2	124.7	176	-72.3	177.3	-169.9	-151.2	-5.1	109.8	E283 E344 D345 R346	E283-R349 IonicContact OE1-CZ 3.21Å; E283-R349 IonicContact OE1-NH1 2.7Å; E283-R349 PolarHBondContact OE1-NH1 3.31Å; E283-R349 IonicContact OE1-NH2 3.65Å; E283-R349 PolarHBondContact OE1-NH2 3.15Å; E344-R349 HydrophobicContact CB-CG 4.43Å; E344-R349 HydrophobicContact CG-CG 4.01Å; D345-R349 WeakPolarHBondContact O-CG 3.5Å; D345-R349 PolarHBondContact O-N 3.42Å; R346-R349 PolarHBondContact O-N 3.09Å
350	D	85.5	Confident	92.2	Very high	53 Å²	53	43.8 Å²	43.8	28%	0.283	21%	0.208	S	C	.	.			trans	-129.9	122.7	170.5	176	-30.8	0	0	0	106	E348 E352 K353 K649	E348-D350 PolarHBondContact O-N 3.27Å; D350-E352 PolarHBondContact O-N 3.21Å; D350-E352 VanDerWaalsContact O-N 3.08Å; D350-E352 VanDerWaalsContact OD1-CB 3.3Å; D350-E352 WeakPolarHBondContact OD1-CB 3.35Å; D350-E352 PolarHBondContact OD1-N 3.09Å; D350-K353 HydrophobicContact CB-CB 3.8Å; D350-K353 HydrophobicContact CB-CD 4.36Å; D350-K353 PolarHBondContact O-N 3.5Å; D350-K649 IonicContact OD1-NZ 2.6Å; D350-K649 PolarHBondContact OD1-NZ 3.09Å; D350-K649 IonicContact OD2-NZ 2.73Å; D350-K649 PolarHBondContact OD2-NZ 3Å
351	P	85.9	Confident	92	Very high	28 Å²	28	50 Å²	50	18%	0.182	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.7	-175.4	26.6	-35.4	0	0	0	113.3	Q271 Y355 K649 M656	Q271-P351 PolarHBondContact OE1-O 2.77Å; P351-Y355 VanDerWaalsContact O-CB 3.29Å; P351-Y355 WeakPolarHBondContact O-CB 3.23Å; P351-K649 HydrophobicContact CG-CD 4.27Å; P351-M656 HydrophobicContact CB-SD 4.07Å; P351-M656 HydrophobicContact CG-SD 4.34Å; P351-M656 WeakPolarHBondContact O-CE 3.18Å
352	E	90.4	Very high	92	Very high	86 Å²	86	50.4 Å²	50.4	40%	0.402	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-43.4	179.7	-171.1	-170	170.5	0	0	112.5	D350 N354 Y355 K649 M656	D350-E352 PolarHBondContact O-N 3.21Å; D350-E352 VanDerWaalsContact O-N 3.08Å; D350-E352 VanDerWaalsContact OD1-CB 3.3Å; D350-E352 WeakPolarHBondContact OD1-CB 3.35Å; D350-E352 PolarHBondContact OD1-N 3.09Å; E352-N354 VanDerWaalsContact C-N 3.32Å; E352-N354 PolarHBondContact O-N 3.07Å; E352-Y355 PolarHBondContact O-N 3.22Å; E352-K649 HydrophobicContact CB-CD 4.27Å; E352-K649 IonicContact OE2-NZ 2.73Å; E352-K649 PolarHBondContact OE2-NZ 3.47Å; E352-M656 HydrophobicContact CB-CE 4.39Å; E352-M656 HydrophobicContact CB-SD 3.94Å
353	K	91.5	Very high	92	Very high	101 Å²	101	47.4 Å²	47.4	44%	0.439	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-36.4	-165.6	179.2	-174.8	170.8	-159.8	0	114.1	E344 D350 R398	E344-K353 IonicContact OE1-NZ 3.78Å; D350-K353 HydrophobicContact CB-CB 3.8Å; D350-K353 HydrophobicContact CB-CD 4.36Å; D350-K353 PolarHBondContact O-N 3.5Å; K353-R398 PolarHBondContact O-NE 3.14Å; K353-R398 PolarHBondContact O-NH2 3.33Å
354	N	90.4	Very high	92	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.032	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	7.8	-178.6	-76.8	-53.5	0	0	0	114.2	E344 E352 H396 R398 T399	E344-N354 PolarHBondContact OE1-ND2 2.68Å; E344-N354 PolarHBondContact OE2-ND2 3.3Å; E352-N354 VanDerWaalsContact C-N 3.32Å; E352-N354 PolarHBondContact O-N 3.07Å; N354-H396 CarbonylContact C-O 3.33Å; N354-H396 WeakPolarHBondContact CB-O 3.3Å; N354-H396 CarbonylContact O-C 3.56Å; N354-R398 HydrophobicContact CB-CG 4.31Å; N354-R398 WeakPolarHBondContact O-CB 2.99Å; N354-R398 WeakPolarHBondContact O-CD 3.39Å; N354-R398 VanDerWaalsContact O-CG 3.23Å; N354-R398 WeakPolarHBondContact O-CG 3.38Å; N354-R398 PolarHBondContact O-N 3.06Å; N354-T399 WeakPolarHBondContact OD1-CB 3.26Å; N354-T399 PolarHBondContact OD1-OG1 2.9Å
355	Y	95.5	Very high	92.1	Very high	6 Å²	6	54.3 Å²	54.3	2%	0.024	27%	0.273	C	S	.	.			trans	-74.2	134.9	174.8	-162.8	-104.7	0	0	0	111.5	Q271 M272 P351 E352 L357 A394 L395 H396 M656	Q271-Y355 HydrophobicContact CB-CE1 4.03Å; Q271-Y355 HydrophobicContact CB-CE2 3.96Å; Q271-Y355 HydrophobicContact CG-CD2 4.44Å; Q271-Y355 HydrophobicContact CG-CE2 3.81Å; Q271-Y355 PolarHBondContact N-OH 3.38Å; Q271-Y355 VanDerWaalsContact OE1-CD2 3.24Å; M272-Y355 HydrophobicContact CE-CD1 4.01Å; M272-Y355 HydrophobicContact CG-CD1 4.39Å; M272-Y355 HydrophobicContact CG-CE1 4.24Å; M272-Y355 HydrophobicContact SD-CD1 4.3Å; M272-Y355 HydrophobicContact SD-CE1 4.46Å; P351-Y355 VanDerWaalsContact O-CB 3.29Å; P351-Y355 WeakPolarHBondContact O-CB 3.23Å; E352-Y355 PolarHBondContact O-N 3.22Å; Y355-L357 HydrophobicContact CE1-CD1 4.49Å; Y355-L357 HydrophobicContact CE1-CD2 3.53Å; Y355-L357 HydrophobicContact CE1-CG 3.82Å; Y355-L357 WeakPolarHBondContact OH-CD2 3.42Å; Y355-A394 HydrophobicContact CE2-CB 3.7Å; Y355-A394 WeakPolarHBondContact OH-CB 3.36Å; Y355-L395 CarbonylContact C-O 3.16Å; Y355-L395 VanDerWaalsContact CA-O 3.31Å; Y355-L395 WeakPolarHBondContact CA-O 3.42Å; Y355-H396 AromaticContact CE2-CE1 3.83Å; Y355-H396 AromaticContact CE2-NE2 3.81Å; Y355-M656 HydrophobicContact CD1-CE 4.12Å; Y355-M656 HydrophobicContact CG-CE 4.18Å
356	E	96.4	Very high	92.4	Very high	46 Å²	46	54 Å²	54	22%	0.215	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	122.3	175.8	-171.6	-177.4	168.9	0	0	111.1	V358 L395 R398 R402	E356-V358 HydrophobicContact CG-CG1 3.83Å; E356-L395 HydrophobicContact CB-CB 4.36Å; E356-L395 PolarHBondContact N-O 3.15Å; E356-L395 PolarHBondContact O-N 2.75Å; E356-R398 HydrophobicContact CB-CB 3.92Å; E356-R398 HydrophobicContact CB-CG 4.47Å; E356-R398 WeakPolarHBondContact OE2-CB 3.49Å; E356-R398 WeakPolarHBondContact OE2-CD 3.36Å; E356-R402 IonicContact OE1-CZ 2.65Å; E356-R402 IonicContact OE1-NH2 2.65Å; E356-R402 PolarHBondContact OE1-NH2 3.06Å; E356-R402 IonicContact OE2-CZ 3.69Å; E356-R402 IonicContact OE2-NH1 2.64Å; E356-R402 PolarHBondContact OE2-NH1 2.97Å; E356-R402 IonicContact OE2-NH2 3.11Å; E356-R402 PolarHBondContact OE2-NH2 2.86Å
357	L	97.1	Very high	92.9	Very high	57 Å²	57	50 Å²	50	30%	0.298	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.8	171.1	-61.9	-178.9	0	0	0	110.1	D270 Y355 V392 A394	D270-L357 WeakPolarHBondContact OD2-CD1 3.42Å; Y355-L357 HydrophobicContact CE1-CD1 4.49Å; Y355-L357 HydrophobicContact CE1-CD2 3.53Å; Y355-L357 HydrophobicContact CE1-CG 3.82Å; Y355-L357 WeakPolarHBondContact OH-CD2 3.42Å; L357-V392 HydrophobicContact CB-CG1 4.11Å; L357-V392 HydrophobicContact CD1-CG1 4.46Å; L357-V392 HydrophobicContact CD2-CG1 3.84Å; L357-V392 HydrophobicContact CG-CG1 4.36Å; L357-A394 HydrophobicContact CD2-CB 3.85Å
358	V	97.3	Very high	93.5	Very high	13 Å²	13	52.8 Å²	52.8	8%	0.079	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	160	178.2	-52.6	0	0	0	0	110	E356 L363 I366 V392 I393 L395	E356-V358 HydrophobicContact CG-CG1 3.83Å; V358-L363 HydrophobicContact CG2-CB 4.24Å; V358-L363 HydrophobicContact CG2-CD1 4.25Å; V358-I366 HydrophobicContact CB-CD1 4.16Å; V358-I366 HydrophobicContact CG1-CD1 3.59Å; V358-I366 HydrophobicContact CG2-CD1 4.44Å; V358-V392 WeakPolarHBondContact O-CA 3.5Å; V358-I393 HydrophobicContact CG2-CB 4.02Å; V358-I393 PolarHBondContact N-O 3.16Å; V358-I393 PolarHBondContact O-N 3.47Å; V358-L395 HydrophobicContact CG1-CD1 4.29Å; V358-L395 HydrophobicContact CG2-CG 4.36Å
359	T	97.2	Very high	94	Very high	37 Å²	37	49.4 Å²	49.4	23%	0.227	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	153.7	169.9	61.1	0	0	0	0	110.8	Q361 N362 L363 Q391	T359-Q361 PolarHBondContact O-N 2.87Å; T359-N362 PolarHBondContact O-N 2.98Å; T359-N362 WeakPolarHBondContact OG1-CB 3.45Å; T359-N362 PolarHBondContact OG1-N 2.94Å; T359-N362 VanDerWaalsContact OG1-N 3.16Å; T359-N362 PolarHBondContact OG1-ND2 2.84Å; T359-L363 PolarHBondContact O-N 3.33Å; T359-Q391 CarbonylContact C-O 3.57Å; T359-Q391 WeakPolarHBondContact CA-O 3.5Å
360	L	96.6	Very high	94.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-51.8	-37.5	171.1	172.5	57.4	0	0	0	112.4	W372 F376 L387 Q391 I393	L360-W372 HydrophobicContact CD1-CB 3.74Å; L360-F376 HydrophobicContact CD1-CD2 3.48Å; L360-F376 VanDerWaalsContact CD1-CD2 3.48Å; L360-F376 HydrophobicContact CD1-CE2 3.97Å; L360-F376 HydrophobicContact CD1-CG 4.5Å; L360-L387 HydrophobicContact CD2-CB 4.41Å; L360-Q391 HydrophobicContact CB-CB 4.33Å; L360-Q391 PolarHBondContact N-O 2.89Å; L360-I393 HydrophobicContact CB-CD1 4.4Å; L360-I393 HydrophobicContact CB-CG1 4.34Å
361	Q	94	Very high	95	Very high	129 Å²	129	46.3 Å²	46.3	60%	0.603	25%	0.249	S	C	*	.	H	α-helix	trans	-62.5	-50.1	172.8	-174	171.8	4.9	0	0	112.4	T359 L363 S364 R389	T359-Q361 PolarHBondContact O-N 2.87Å; Q361-L363 VanDerWaalsContact C-N 3.34Å; Q361-L363 PolarHBondContact O-N 3.1Å; Q361-S364 PolarHBondContact O-N 2.91Å; Q361-R389 PolarHBondContact N-O 3.46Å
362	N	96	Very high	95.6	Very high	88 Å²	88	45 Å²	45	47%	0.471	24%	0.241	S	C	.	.	H	α-helix	trans	-71.2	-27.2	-177.3	-69.8	-5.9	0	0	0	113.1	T359 S364 T365 I366	T359-N362 PolarHBondContact O-N 2.98Å; T359-N362 WeakPolarHBondContact OG1-CB 3.45Å; T359-N362 PolarHBondContact OG1-N 2.94Å; T359-N362 VanDerWaalsContact OG1-N 3.16Å; T359-N362 PolarHBondContact OG1-ND2 2.84Å; N362-S364 PolarHBondContact O-N 3.48Å; N362-T365 WeakPolarHBondContact O-CA 3.17Å; N362-T365 WeakPolarHBondContact O-CB 3.18Å; N362-T365 PolarHBondContact O-N 3.32Å; N362-I366 PolarHBondContact O-N 2.85Å; N362-I366 VanDerWaalsContact O-N 3.16Å
363	L	96.9	Very high	95.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-56	-34.1	175.5	-177.4	63.4	0	0	0	112.2	L281 V358 T359 Q361 T365 I366 C367 W372 F376 I393 L395 F401	L281-L363 HydrophobicContact CD1-CD1 4.1Å; L281-L363 HydrophobicContact CD1-CD2 3.85Å; V358-L363 HydrophobicContact CG2-CB 4.24Å; V358-L363 HydrophobicContact CG2-CD1 4.25Å; T359-L363 PolarHBondContact O-N 3.33Å; Q361-L363 VanDerWaalsContact C-N 3.34Å; Q361-L363 PolarHBondContact O-N 3.1Å; L363-T365 VanDerWaalsContact C-N 3.25Å; L363-T365 PolarHBondContact O-N 3.26Å; L363-I366 PolarHBondContact O-N 3.29Å; L363-C367 PolarHBondContact O-N 3.45Å; L363-W372 HydrophobicContact CD2-CB 4.22Å; L363-W372 HydrophobicContact CD2-CD2 3.42Å; L363-W372 VanDerWaalsContact CD2-CD2 3.42Å; L363-W372 HydrophobicContact CD2-CE3 3.6Å; L363-W372 HydrophobicContact CD2-CG 3.7Å; L363-W372 HydrophobicContact CD2-CZ2 4.42Å; L363-W372 HydrophobicContact CD2-CZ3 4.16Å; L363-W372 HydrophobicContact CG-CD2 3.82Å; L363-W372 HydrophobicContact CG-CE3 4.43Å; L363-W372 HydrophobicContact CG-CG 3.9Å; L363-W372 HydrophobicContact CG-CZ2 4.39Å; L363-F376 HydrophobicContact CD2-CE2 4.4Å; L363-I393 HydrophobicContact CD2-CG1 4.31Å; L363-I393 HydrophobicContact CD2-CG2 4.27Å; L363-L395 HydrophobicContact CD1-CD2 4.02Å; L363-F401 HydrophobicContact CD1-CE1 3.92Å; L363-F401 HydrophobicContact CD1-CZ 4.05Å
364	S	94	Very high	96	Very high	42 Å²	42	40.8 Å²	40.8	29%	0.294	22%	0.224	S	C	.	.	H	α-helix	trans	-66.6	-25.1	175.8	-54.9	0	0	0	0	113.2	Q361 N362 P368	Q361-S364 PolarHBondContact O-N 2.91Å; N362-S364 PolarHBondContact O-N 3.48Å; S364-P368 WeakPolarHBondContact O-CA 3.38Å; S364-P368 WeakPolarHBondContact O-CB 3.5Å
365	T	95	Very high	96.3	Very high	118 Å²	118	40.6 Å²	40.6	72%	0.724	22%	0.223	S	C	*	.	H	α-helix	trans	-80.8	-37.4	173.1	-51.2	0	0	0	0	111.6	N362 L363	N362-T365 WeakPolarHBondContact O-CA 3.17Å; N362-T365 WeakPolarHBondContact O-CB 3.18Å; N362-T365 PolarHBondContact O-N 3.32Å; L363-T365 VanDerWaalsContact C-N 3.25Å; L363-T365 PolarHBondContact O-N 3.26Å
366	I	96.1	Very high	96.4	Very high	41 Å²	41	40.3 Å²	40.3	21%	0.21	22%	0.222	C	C	.	.	H	α-helix	trans	-68.8	-43.7	178	-65.3	170.4	0	0	0	110.8	V358 N362 L363 L395 F401 R402	V358-I366 HydrophobicContact CB-CD1 4.16Å; V358-I366 HydrophobicContact CG1-CD1 3.59Å; V358-I366 HydrophobicContact CG2-CD1 4.44Å; N362-I366 PolarHBondContact O-N 2.85Å; N362-I366 VanDerWaalsContact O-N 3.16Å; L363-I366 PolarHBondContact O-N 3.29Å; I366-L395 HydrophobicContact CD1-CD1 4.45Å; I366-L395 HydrophobicContact CG2-CD1 4.5Å; I366-F401 HydrophobicContact CG2-CD1 4.37Å; I366-F401 HydrophobicContact CG2-CE1 4.22Å; I366-R402 HydrophobicContact CG2-CG 3.92Å
367	C	97.5	Very high	96.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.224	C	C	.	.			trans	-136.1	84.4	-177.6	-172.4	0	0	0	0	112.2	L363 V369 W372 F401 C405	L363-C367 PolarHBondContact O-N 3.45Å; C367-V369 PolarHBondContact O-N 3.33Å; C367-W372 HydrophobicContact CB-CZ2 4.06Å; C367-W372 PolarHBondContact O-NE1 3.2Å; C367-F401 HydrophobicContact CB-CE1 3.76Å; C367-F401 HydrophobicContact CB-CZ 3.99Å; C367-C405 WeakPolarHBondContact CA-SG 3.47Å; C367-C405 HydrophobicContact CB-CB 3.84Å; C367-C405 WeakPolarHBondContact CB-SG 3.41Å; C367-C405 WeakPolarHBondContact SG-CB 3.42Å; C367-C405 CovalentContact SG-SG 2.03Å; C367-C405 PolarHBondContact SG-SG 2.76Å
368	P	96.6	Very high	96.3	Very high	81 Å²	81	42.1 Å²	42.1	53%	0.526	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	5.3	-173.9	32.5	-37.5	0	0	0	114.7	S364 L370	S364-P368 WeakPolarHBondContact O-CA 3.38Å; S364-P368 WeakPolarHBondContact O-CB 3.5Å; P368-L370 VanDerWaalsContact C-N 3.25Å; P368-L370 PolarHBondContact O-N 2.85Å
369	V	97.2	Very high	96.3	Very high	14 Å²	14	41.9 Å²	41.9	9%	0.085	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-10.2	-178.2	-52.3	0	0	0	0	113.4	L246 L262 C367 F408 K409 L412	L246-V369 HydrophobicContact CD2-CB 4.34Å; L246-V369 HydrophobicContact CD2-CG2 4.19Å; L262-V369 HydrophobicContact CD2-CG2 4.11Å; C367-V369 PolarHBondContact O-N 3.33Å; V369-F408 HydrophobicContact CG1-CB 4.33Å; V369-F408 HydrophobicContact CG2-CB 4.12Å; V369-K409 HydrophobicContact CG1-CB 3.77Å; V369-K409 HydrophobicContact CG1-CG 4.45Å; V369-L412 HydrophobicContact CB-CD1 3.82Å; V369-L412 HydrophobicContact CG1-CD1 4.05Å
370	L	97.1	Very high	96.2	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.037	22%	0.215	C	C	.	.	S	Bend	trans	-130	143.6	174.8	-64.4	177.8	0	0	0	110.3	L246 Y250 L262 P368 W372 L375	L246-L370 HydrophobicContact CB-CD2 4.08Å; L246-L370 HydrophobicContact CD2-CD2 3.79Å; L246-L370 HydrophobicContact CD2-CG 4.49Å; L246-L370 HydrophobicContact CG-CD2 3.77Å; Y250-L370 HydrophobicContact CD2-CD2 4.12Å; L262-L370 HydrophobicContact CD2-CD1 3.72Å; L262-L370 HydrophobicContact CD2-CG 4.31Å; P368-L370 VanDerWaalsContact C-N 3.25Å; P368-L370 PolarHBondContact O-N 2.85Å; L370-W372 VanDerWaalsContact C-N 3.34Å; L370-W372 HydrophobicContact CB-CD2 4.32Å; L370-W372 HydrophobicContact CB-CZ2 4.27Å; L370-W372 HydrophobicContact CD1-CH2 3.8Å; L370-W372 HydrophobicContact CD1-CZ2 3.96Å; L370-W372 HydrophobicContact CD1-CZ3 4.14Å; L370-W372 VanDerWaalsContact O-CD1 3.24Å; L370-W372 PolarHBondContact O-N 2.84Å; L370-W372 VanDerWaalsContact O-N 3.11Å; L370-L375 HydrophobicContact CD1-CD1 3.98Å
371	N	97	Very high	96.2	Very high	72 Å²	72	43.2 Å²	43.2	39%	0.385	24%	0.24	S	C	.	.			trans	-81.2	83.5	165.6	-175.9	-21	0	0	0	109.2	T247 T373 K374 L375	T247-N371 HydrophobicContact CG2-CB 4.2Å; T247-N371 PolarHBondContact OG1-N 3.22Å; N371-T373 PolarHBondContact O-N 2.88Å; N371-T373 PolarHBondContact OD1-N 2.88Å; N371-K374 HydrophobicContact CB-CB 3.95Å; N371-K374 HydrophobicContact CB-CD 4.34Å; N371-K374 WeakPolarHBondContact O-CB 3.45Å; N371-K374 PolarHBondContact O-N 3.03Å; N371-K374 VanDerWaalsContact O-N 3.08Å; N371-K374 WeakPolarHBondContact OD1-CB 3.23Å; N371-K374 PolarHBondContact OD1-N 2.88Å; N371-L375 WeakPolarHBondContact O-CB 3.48Å; N371-L375 PolarHBondContact O-N 3.25Å
372	W	97	Very high	96.1	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-54.7	-37.6	-177.6	-61.4	97.7	0	0	0	113.5	L262 L281 L360 L363 C367 L370 L375 F376 F401	L262-W372 HydrophobicContact CD2-CH2 4.22Å; L262-W372 HydrophobicContact CD2-CZ2 4.27Å; L281-W372 HydrophobicContact CD1-CH2 4.03Å; L281-W372 HydrophobicContact CD1-CZ3 3.91Å; L281-W372 HydrophobicContact CD2-CZ3 4.45Å; L360-W372 HydrophobicContact CD1-CB 3.74Å; L363-W372 HydrophobicContact CD2-CB 4.22Å; L363-W372 HydrophobicContact CD2-CD2 3.42Å; L363-W372 VanDerWaalsContact CD2-CD2 3.42Å; L363-W372 HydrophobicContact CD2-CE3 3.6Å; L363-W372 HydrophobicContact CD2-CG 3.7Å; L363-W372 HydrophobicContact CD2-CZ2 4.42Å; L363-W372 HydrophobicContact CD2-CZ3 4.16Å; L363-W372 HydrophobicContact CG-CD2 3.82Å; L363-W372 HydrophobicContact CG-CE3 4.43Å; L363-W372 HydrophobicContact CG-CG 3.9Å; L363-W372 HydrophobicContact CG-CZ2 4.39Å; C367-W372 HydrophobicContact CB-CZ2 4.06Å; C367-W372 PolarHBondContact O-NE1 3.2Å; L370-W372 VanDerWaalsContact C-N 3.34Å; L370-W372 HydrophobicContact CB-CD2 4.32Å; L370-W372 HydrophobicContact CB-CZ2 4.27Å; L370-W372 HydrophobicContact CD1-CH2 3.8Å; L370-W372 HydrophobicContact CD1-CZ2 3.96Å; L370-W372 HydrophobicContact CD1-CZ3 4.14Å; L370-W372 VanDerWaalsContact O-CD1 3.24Å; L370-W372 PolarHBondContact O-N 2.84Å; L370-W372 VanDerWaalsContact O-N 3.11Å; W372-L375 HydrophobicContact CE3-CD1 4.27Å; W372-L375 HydrophobicContact CZ3-CD1 4.41Å; W372-L375 WeakPolarHBondContact O-CB 3.28Å; W372-L375 PolarHBondContact O-N 3.28Å; W372-F376 HydrophobicContact CB-CD2 4.38Å; W372-F376 AromaticContact CE3-CE2 3.86Å; W372-F376 HydrophobicContact CE3-CE2 3.86Å; W372-F376 HydrophobicContact CE3-CZ 4.5Å; W372-F376 WeakPolarHBondContact O-CB 3.47Å; W372-F376 WeakPolarHBondContact O-CD2 3.47Å; W372-F376 PolarHBondContact O-N 3.04Å; W372-F401 HydrophobicContact CH2-CE2 4.2Å; W372-F401 AromaticContact CH2-CZ 3.86Å; W372-F401 HydrophobicContact CH2-CZ 3.86Å; W372-F401 HydrophobicContact CZ2-CE2 4.49Å; W372-F401 AromaticContact CZ2-CZ 3.77Å; W372-F401 HydrophobicContact CZ2-CZ 3.77Å
373	T	95.2	Very high	96	Very high	37 Å²	37	37 Å²	37	23%	0.227	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-51.6	174.9	-85.8	0	0	0	0	111.4	N371 L375 F376 D377 R389	N371-T373 PolarHBondContact O-N 2.88Å; N371-T373 PolarHBondContact OD1-N 2.88Å; T373-L375 VanDerWaalsContact C-N 3.31Å; T373-L375 PolarHBondContact O-N 3.01Å; T373-F376 PolarHBondContact O-N 3.49Å; T373-D377 VanDerWaalsContact O-CB 3.24Å; T373-D377 WeakPolarHBondContact O-CB 3.28Å; T373-D377 PolarHBondContact O-N 2.83Å; T373-R389 VanDerWaalsContact CG2-CZ 3.42Å
374	K	96.2	Very high	95.9	Very high	62 Å²	62	44.4 Å²	44.4	27%	0.27	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-38.8	176.8	176.5	-178.8	172.6	-176	0	111.8	D245 T247 D248 N371 Y378	D245-K374 IonicContact OD2-NZ 3.18Å; D245-K374 PolarHBondContact OD2-NZ 3.21Å; T247-K374 HydrophobicContact CG2-CD 4.44Å; D248-K374 WeakPolarHBondContact OD1-CE 3.18Å; D248-K374 IonicContact OD1-NZ 3.59Å; D248-K374 PolarHBondContact OD1-NZ 3.1Å; D248-K374 IonicContact OD2-NZ 3.63Å; D248-K374 PolarHBondContact OD2-NZ 3.39Å; N371-K374 HydrophobicContact CB-CB 3.95Å; N371-K374 HydrophobicContact CB-CD 4.34Å; N371-K374 WeakPolarHBondContact O-CB 3.45Å; N371-K374 PolarHBondContact O-N 3.03Å; N371-K374 VanDerWaalsContact O-N 3.08Å; N371-K374 WeakPolarHBondContact OD1-CB 3.23Å; N371-K374 PolarHBondContact OD1-N 2.88Å; K374-Y378 WeakPolarHBondContact O-CB 3.45Å; K374-Y378 PolarHBondContact O-N 3.06Å; K374-Y378 VanDerWaalsContact O-N 3.08Å
375	L	97.1	Very high	96	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-55.7	176.6	-172.3	160	0	0	0	111.6	T247 L251 L254 I265 L370 N371 W372 T373 Y378 L379	T247-L375 HydrophobicContact CG2-CB 4.09Å; L251-L375 HydrophobicContact CD2-CB 4.36Å; L251-L375 HydrophobicContact CD2-CG 4.43Å; L254-L375 HydrophobicContact CD1-CD1 3.68Å; L254-L375 HydrophobicContact CD1-CD2 4.09Å; L254-L375 HydrophobicContact CD1-CG 3.79Å; I265-L375 HydrophobicContact CD1-CD2 3.76Å; L370-L375 HydrophobicContact CD1-CD1 3.98Å; N371-L375 WeakPolarHBondContact O-CB 3.48Å; N371-L375 PolarHBondContact O-N 3.25Å; W372-L375 HydrophobicContact CE3-CD1 4.27Å; W372-L375 HydrophobicContact CZ3-CD1 4.41Å; W372-L375 WeakPolarHBondContact O-CB 3.28Å; W372-L375 PolarHBondContact O-N 3.28Å; T373-L375 VanDerWaalsContact C-N 3.31Å; T373-L375 PolarHBondContact O-N 3.01Å; L375-Y378 PolarHBondContact O-N 3.11Å; L375-L379 HydrophobicContact CD2-CD1 3.65Å; L375-L379 HydrophobicContact CD2-CG 4.25Å; L375-L379 WeakPolarHBondContact O-CG 3.36Å; L375-L379 PolarHBondContact O-N 3.37Å
376	F	96.9	Very high	96	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-73.3	-35.9	-176.6	-77.8	-60.8	0	0	0	113	I265 I279 L360 L363 W372 T373 Y378 L379 Y380 L387 I393	I265-F376 HydrophobicContact CD1-CE1 4.14Å; I265-F376 HydrophobicContact CD1-CZ 4.42Å; I265-F376 HydrophobicContact CG2-CE1 4.05Å; I279-F376 HydrophobicContact CD1-CD1 4.06Å; I279-F376 HydrophobicContact CD1-CE1 3.9Å; I279-F376 HydrophobicContact CD1-CZ 4.39Å; I279-F376 HydrophobicContact CG2-CE1 3.75Å; I279-F376 HydrophobicContact CG2-CZ 3.83Å; L360-F376 HydrophobicContact CD1-CD2 3.48Å; L360-F376 VanDerWaalsContact CD1-CD2 3.48Å; L360-F376 HydrophobicContact CD1-CE2 3.97Å; L360-F376 HydrophobicContact CD1-CG 4.5Å; L363-F376 HydrophobicContact CD2-CE2 4.4Å; W372-F376 HydrophobicContact CB-CD2 4.38Å; W372-F376 AromaticContact CE3-CE2 3.86Å; W372-F376 HydrophobicContact CE3-CE2 3.86Å; W372-F376 HydrophobicContact CE3-CZ 4.5Å; W372-F376 WeakPolarHBondContact O-CB 3.47Å; W372-F376 WeakPolarHBondContact O-CD2 3.47Å; W372-F376 PolarHBondContact O-N 3.04Å; T373-F376 PolarHBondContact O-N 3.49Å; F376-Y378 VanDerWaalsContact C-N 3.25Å; F376-Y378 PolarHBondContact O-N 2.89Å; F376-L379 PolarHBondContact O-N 2.88Å; F376-Y380 HydrophobicContact CD1-CE2 4.28Å; F376-Y380 PolarHBondContact O-N 2.95Å; F376-L387 HydrophobicContact CB-CD1 3.66Å; F376-L387 HydrophobicContact CD1-CD1 4.14Å; F376-L387 HydrophobicContact CG-CD1 4.11Å; F376-I393 HydrophobicContact CE2-CD1 4.36Å; F376-I393 HydrophobicContact CZ-CD1 4.49Å
377	D	95.6	Very high	95.9	Very high	49 Å²	49	45.7 Å²	45.7	26%	0.262	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-35.3	171.8	-73	-7.3	0	0	0	111.1	T373 A381 R389	T373-D377 VanDerWaalsContact O-CB 3.24Å; T373-D377 WeakPolarHBondContact O-CB 3.28Å; T373-D377 PolarHBondContact O-N 2.83Å; D377-A381 WeakPolarHBondContact O-CB 3.45Å; D377-A381 PolarHBondContact O-N 2.03Å; D377-R389 IonicContact OD1-CZ 2.81Å; D377-R389 IonicContact OD1-NH1 3.74Å; D377-R389 PolarHBondContact OD1-NH1 3.16Å; D377-R389 IonicContact OD1-NH2 3.25Å; D377-R389 IonicContact OD2-CZ 3.41Å; D377-R389 IonicContact OD2-NH1 3.26Å; D377-R389 PolarHBondContact OD2-NH1 2.81Å; D377-R389 IonicContact OD2-NH2 3.23Å; D377-R389 PolarHBondContact OD2-NH2 2.73Å
378	Y	96.3	Very high	95.7	Very high	92 Å²	92	48.4 Å²	48.4	36%	0.361	26%	0.261	S	S	.	.	H	α-helix	trans	-71.2	-44.2	173.8	175	-88.2	0	0	0	112.6	L251 K255 K374 L375 F376 Y380 A381	L251-Y378 HydrophobicContact CB-CD1 4.14Å; L251-Y378 HydrophobicContact CB-CE1 4.05Å; L251-Y378 HydrophobicContact CB-CE2 4.48Å; L251-Y378 HydrophobicContact CB-CG 4.4Å; L251-Y378 HydrophobicContact CD1-CD2 4.08Å; L251-Y378 HydrophobicContact CD1-CG 4.12Å; L251-Y378 HydrophobicContact CD2-CD1 3.72Å; L251-Y378 HydrophobicContact CD2-CD2 4.49Å; L251-Y378 HydrophobicContact CD2-CE1 4.47Å; L251-Y378 HydrophobicContact CD2-CG 3.74Å; L251-Y378 HydrophobicContact CG-CD1 4.37Å; L251-Y378 HydrophobicContact CG-CG 4.3Å; L251-Y378 VanDerWaalsContact O-CE1 3.29Å; L251-Y378 WeakPolarHBondContact O-CE1 3.3Å; K255-Y378 HydrophobicContact CB-CE1 4.47Å; K374-Y378 WeakPolarHBondContact O-CB 3.45Å; K374-Y378 PolarHBondContact O-N 3.06Å; K374-Y378 VanDerWaalsContact O-N 3.08Å; L375-Y378 PolarHBondContact O-N 3.11Å; F376-Y378 VanDerWaalsContact C-N 3.25Å; F376-Y378 PolarHBondContact O-N 2.89Å; Y378-Y380 PolarHBondContact O-N 3.03Å; Y378-A381 PolarHBondContact O-N 3.06Å
379	L	96.4	Very high	95.4	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-35.6	-177	-72.7	-173.9	0	0	0	113.6	L254 I265 L375 F376 P382 F573 L577	L254-L379 HydrophobicContact CB-CD2 4.12Å; I265-L379 HydrophobicContact CD1-CD1 3.68Å; L375-L379 HydrophobicContact CD2-CD1 3.65Å; L375-L379 HydrophobicContact CD2-CG 4.25Å; L375-L379 WeakPolarHBondContact O-CG 3.36Å; L375-L379 PolarHBondContact O-N 3.37Å; F376-L379 PolarHBondContact O-N 2.88Å; L379-P382 WeakPolarHBondContact O-CD 3.4Å; L379-F573 HydrophobicContact CD1-CE1 4.03Å; L379-F573 HydrophobicContact CD1-CZ 4.05Å; L379-F573 HydrophobicContact CD2-CE1 3.89Å; L379-L577 HydrophobicContact CB-CD1 3.97Å
380	Y	96.1	Very high	95.3	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-91.2	-5.6	179.5	-78.1	-98.1	0	0	0	114.1	I279 F376 Y378 P382 L383 N384 F385 L387 L577 L580 I581	I279-Y380 HydrophobicContact CD1-CE2 4.17Å; F376-Y380 HydrophobicContact CD1-CE2 4.28Å; F376-Y380 PolarHBondContact O-N 2.95Å; Y378-Y380 PolarHBondContact O-N 3.03Å; Y380-P382 VanDerWaalsContact C-CD 3.49Å; Y380-L383 HydrophobicContact CD1-CD1 4.07Å; Y380-L383 HydrophobicContact CE1-CD1 4.4Å; Y380-L383 PolarHBondContact O-N 3.35Å; Y380-N384 PolarHBondContact O-N 3.21Å; Y380-F385 WeakPolarHBondContact CB-O 3.38Å; Y380-F385 HydrophobicContact CD1-CB 4.16Å; Y380-F385 AromaticContact CD1-CD1 3.59Å; Y380-F385 HydrophobicContact CD1-CD1 3.59Å; Y380-F385 HydrophobicContact CD1-CE1 4.47Å; Y380-F385 HydrophobicContact CD1-CG 4.3Å; Y380-F385 HydrophobicContact CE1-CD1 4.08Å; Y380-F385 HydrophobicContact CG-CD1 4.28Å; Y380-F385 PolarHBondContact O-N 2.86Å; Y380-L387 HydrophobicContact CD2-CD1 3.35Å; Y380-L387 HydrophobicContact CD2-CG 4.16Å; Y380-L387 HydrophobicContact CE2-CD1 3.44Å; Y380-L387 VanDerWaalsContact CE2-CD1 3.44Å; Y380-L387 HydrophobicContact CE2-CG 4.34Å; Y380-L387 HydrophobicContact CG-CD1 3.98Å; Y380-L387 HydrophobicContact CG-CG 4.31Å; Y380-L577 HydrophobicContact CD1-CB 4.49Å; Y380-L577 HydrophobicContact CD2-CD1 4.44Å; Y380-L577 HydrophobicContact CE1-CB 3.92Å; Y380-L577 WeakPolarHBondContact CE1-O 3.45Å; Y380-L577 HydrophobicContact CE2-CB 4.38Å; Y380-L577 HydrophobicContact CE2-CD1 4.28Å; Y380-L577 HydrophobicContact CE2-CD2 3.77Å; Y380-L577 HydrophobicContact CE2-CG 4.35Å; Y380-L580 HydrophobicContact CE1-CD2 4.24Å; Y380-L580 WeakPolarHBondContact OH-CD2 3.38Å; Y380-I581 HydrophobicContact CD1-CD1 4.49Å
381	A	95.5	Very high	95.3	Very high	63 Å²	63	54.3 Å²	54.3	52%	0.521	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-55.7	-40.7	176.5	0	0	0	0	0	114.4	D377 Y378 L383 N384	D377-A381 WeakPolarHBondContact O-CB 3.45Å; D377-A381 PolarHBondContact O-N 2.03Å; Y378-A381 PolarHBondContact O-N 3.06Å; A381-L383 PolarHBondContact O-N 2.92Å; A381-N384 PolarHBondContact O-N 3.38Å
382	P	93.5	Very high	95.3	Very high	68 Å²	68	52.6 Å²	52.6	44%	0.442	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-64.5	-24.6	176	-22	35.3	0	0	0	113.8	L379 Y380 N384 L574	L379-P382 WeakPolarHBondContact O-CD 3.4Å; Y380-P382 VanDerWaalsContact C-CD 3.49Å; P382-N384 VanDerWaalsContact C-N 3.3Å; P382-L574 HydrophobicContact CB-CD1 4.26Å; P382-L574 HydrophobicContact CB-CD2 3.9Å; P382-L574 HydrophobicContact CG-CD2 4.08Å
383	L	93.7	Very high	95.3	Very high	18 Å²	18	52.6 Å²	52.6	9%	0.094	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-88.1	2.5	176.4	-56.9	-179.3	0	0	0	112.5	Y380 A381 F385 Y552 L574 L577 R578 I581	Y380-L383 HydrophobicContact CD1-CD1 4.07Å; Y380-L383 HydrophobicContact CE1-CD1 4.4Å; Y380-L383 PolarHBondContact O-N 3.35Å; A381-L383 PolarHBondContact O-N 2.92Å; L383-F385 HydrophobicContact CB-CB 4.33Å; L383-F385 PolarHBondContact O-N 3.24Å; L383-F385 VanDerWaalsContact O-N 3.13Å; L383-Y552 HydrophobicContact CD2-CD1 4.32Å; L383-Y552 HydrophobicContact CD2-CE1 3.94Å; L383-Y552 HydrophobicContact CD2-CE2 4.48Å; L383-L574 HydrophobicContact CD2-CB 4.38Å; L383-L574 HydrophobicContact CD2-CD2 4.27Å; L383-L574 HydrophobicContact CG-CD2 4.22Å; L383-L577 HydrophobicContact CD1-CB 3.8Å; L383-R578 HydrophobicContact CD1-CG 3.78Å; L383-R578 HydrophobicContact CD2-CG 3.58Å; L383-R578 HydrophobicContact CG-CG 4.32Å; L383-I581 HydrophobicContact CB-CD1 4.07Å; L383-I581 HydrophobicContact CD1-CD1 3.99Å
384	N	94.5	Very high	95.5	Very high	157 Å²	157	50.8 Å²	50.8	84%	0.84	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	33	-172.9	-168.8	42.4	0	0	0	113	Y380 A381 P382	Y380-N384 PolarHBondContact O-N 3.21Å; A381-N384 PolarHBondContact O-N 3.38Å; P382-N384 VanDerWaalsContact C-N 3.3Å
385	F	95.2	Very high	95.5	Very high	67 Å²	67	47.9 Å²	47.9	29%	0.294	25%	0.249	S	C	.	.			trans	-112.4	134.9	-177	-171.3	-105.8	0	0	0	110	Y380 L383 L387 I581	Y380-F385 WeakPolarHBondContact CB-O 3.38Å; Y380-F385 HydrophobicContact CD1-CB 4.16Å; Y380-F385 AromaticContact CD1-CD1 3.59Å; Y380-F385 HydrophobicContact CD1-CD1 3.59Å; Y380-F385 HydrophobicContact CD1-CE1 4.47Å; Y380-F385 HydrophobicContact CD1-CG 4.3Å; Y380-F385 HydrophobicContact CE1-CD1 4.08Å; Y380-F385 HydrophobicContact CG-CD1 4.28Å; Y380-F385 PolarHBondContact O-N 2.86Å; L383-F385 HydrophobicContact CB-CB 4.33Å; L383-F385 PolarHBondContact O-N 3.24Å; L383-F385 VanDerWaalsContact O-N 3.13Å; F385-L387 HydrophobicContact CD1-CD2 4.26Å; F385-L387 HydrophobicContact CD1-CG 4.24Å; F385-L387 HydrophobicContact CE1-CD2 3.68Å; F385-L387 HydrophobicContact CE1-CG 4.12Å; F385-I581 HydrophobicContact CB-CD1 3.7Å; F385-I581 HydrophobicContact CB-CG1 4.5Å; F385-I581 HydrophobicContact CD1-CD1 4.17Å; F385-I581 HydrophobicContact CD1-CG1 4.13Å; F385-I581 HydrophobicContact CD2-CD1 4.01Å; F385-I581 HydrophobicContact CD2-CG1 4.02Å; F385-I581 HydrophobicContact CE1-CG1 4.3Å; F385-I581 HydrophobicContact CE2-CG1 4.23Å; F385-I581 HydrophobicContact CG-CD1 3.71Å; F385-I581 HydrophobicContact CG-CG1 3.97Å; F385-I581 HydrophobicContact CZ-CG1 4.35Å
386	K	94.4	Very high	95.4	Very high	156 Å²	156	50.2 Å²	50.2	68%	0.678	26%	0.26	S	S	*	.			trans	-114.3	115.5	177.8	-174.5	172.8	-176.5	174.6	0	109.5
387	L	94.6	Very high	95.4	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	26%	0.262	C	S	.	.			trans	-68.4	132.8	-178.2	-79.2	163.8	0	0	0	111.9	I279 L360 F376 Y380 F385 Q391 L580	I279-L387 HydrophobicContact CD1-CD1 3.8Å; I279-L387 HydrophobicContact CD1-CD2 4.13Å; L360-L387 HydrophobicContact CD2-CB 4.41Å; F376-L387 HydrophobicContact CB-CD1 3.66Å; F376-L387 HydrophobicContact CD1-CD1 4.14Å; F376-L387 HydrophobicContact CG-CD1 4.11Å; Y380-L387 HydrophobicContact CD2-CD1 3.35Å; Y380-L387 HydrophobicContact CD2-CG 4.16Å; Y380-L387 HydrophobicContact CE2-CD1 3.44Å; Y380-L387 VanDerWaalsContact CE2-CD1 3.44Å; Y380-L387 HydrophobicContact CE2-CG 4.34Å; Y380-L387 HydrophobicContact CG-CD1 3.98Å; Y380-L387 HydrophobicContact CG-CG 4.31Å; F385-L387 HydrophobicContact CD1-CD2 4.26Å; F385-L387 HydrophobicContact CD1-CG 4.24Å; F385-L387 HydrophobicContact CE1-CD2 3.68Å; F385-L387 HydrophobicContact CE1-CG 4.12Å; L387-Q391 HydrophobicContact CD2-CB 4.39Å; L387-Q391 HydrophobicContact CD2-CG 3.94Å; L387-L580 HydrophobicContact CD2-CD2 3.62Å
388	P	93.8	Very high	95.4	Very high	58 Å²	58	52.6 Å²	52.6	38%	0.377	27%	0.266	S	S	.	.			trans	-69.3	150.1	173.7	33.6	-36	0	0	0	109.7	D390 Q391	P388-D390 VanDerWaalsContact C-N 3.26Å; P388-D390 WeakPolarHBondContact CB-OD1 3.19Å; P388-D390 PolarHBondContact O-N 3.42Å; P388-Q391 HydrophobicContact CG-CB 4.17Å; P388-Q391 WeakPolarHBondContact O-CB 3.22Å; P388-Q391 PolarHBondContact O-N 3.3Å
389	R	90.8	Very high	95.3	Very high	82 Å²	82	51.2 Å²	51.2	31%	0.309	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.5	-171.9	-62.3	-58	-175.4	-133.3	4.5	113.5	Q361 T373 D377	Q361-R389 PolarHBondContact N-O 3.46Å; T373-R389 VanDerWaalsContact CG2-CZ 3.42Å; D377-R389 IonicContact OD1-CZ 2.81Å; D377-R389 IonicContact OD1-NH1 3.74Å; D377-R389 PolarHBondContact OD1-NH1 3.16Å; D377-R389 IonicContact OD1-NH2 3.25Å; D377-R389 IonicContact OD2-CZ 3.41Å; D377-R389 IonicContact OD2-NH1 3.26Å; D377-R389 PolarHBondContact OD2-NH1 2.81Å; D377-R389 IonicContact OD2-NH2 3.23Å; D377-R389 PolarHBondContact OD2-NH2 2.73Å
390	D	94.8	Very high	95.3	Very high	116 Å²	116	52.7 Å²	52.7	62%	0.62	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	7.3	169.5	59.7	-34.5	0	0	0	113.4	P388 V392	P388-D390 VanDerWaalsContact C-N 3.26Å; P388-D390 WeakPolarHBondContact CB-OD1 3.19Å; P388-D390 PolarHBondContact O-N 3.42Å; D390-V392 PolarHBondContact O-N 2.95Å
391	Q	96.3	Very high	95.4	Very high	28 Å²	28	52.7 Å²	52.7	13%	0.131	27%	0.273	C	S	.	.			trans	-47.7	129.5	170.7	174.5	63.3	47.4	0	0	110.4	I279 T359 L360 L387 P388 I393	I279-Q391 HydrophobicContact CD1-CG 4.18Å; T359-Q391 CarbonylContact C-O 3.57Å; T359-Q391 WeakPolarHBondContact CA-O 3.5Å; L360-Q391 HydrophobicContact CB-CB 4.33Å; L360-Q391 PolarHBondContact N-O 2.89Å; L387-Q391 HydrophobicContact CD2-CB 4.39Å; L387-Q391 HydrophobicContact CD2-CG 3.94Å; P388-Q391 HydrophobicContact CG-CB 4.17Å; P388-Q391 WeakPolarHBondContact O-CB 3.22Å; P388-Q391 PolarHBondContact O-N 3.3Å; Q391-I393 HydrophobicContact CG-CD1 4.03Å
392	V	97.2	Very high	95.5	Very high	36 Å²	36	53.9 Å²	53.9	22%	0.218	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	129.3	175.4	-179	0	0	0	0	109.9	V278 I279 L357 V358 D390	V278-V392 HydrophobicContact CG1-CB 3.91Å; V278-V392 HydrophobicContact CG1-CG1 3.73Å; I279-V392 PolarHBondContact N-O 3.08Å; L357-V392 HydrophobicContact CB-CG1 4.11Å; L357-V392 HydrophobicContact CD1-CG1 4.46Å; L357-V392 HydrophobicContact CD2-CG1 3.84Å; L357-V392 HydrophobicContact CG-CG1 4.36Å; V358-V392 WeakPolarHBondContact O-CA 3.5Å; D390-V392 PolarHBondContact O-N 2.95Å
393	I	98.1	Very high	95.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.4	173.7	-44.8	-62.5	0	0	0	107	I279 L281 V358 L360 L363 F376 Q391	I279-I393 HydrophobicContact CB-CD1 3.78Å; I279-I393 HydrophobicContact CD1-CD1 3.91Å; I279-I393 HydrophobicContact CG1-CD1 4.24Å; I279-I393 HydrophobicContact CG2-CD1 4.31Å; I279-I393 CarbonylContact O-C 3.58Å; I279-I393 VanDerWaalsContact O-CA 3.3Å; I279-I393 WeakPolarHBondContact O-CA 3.3Å; I279-I393 WeakPolarHBondContact O-CG2 3.39Å; L281-I393 HydrophobicContact CD1-CG2 3.86Å; L281-I393 HydrophobicContact CG-CG2 3.77Å; V358-I393 HydrophobicContact CG2-CB 4.02Å; V358-I393 PolarHBondContact N-O 3.16Å; V358-I393 PolarHBondContact O-N 3.47Å; L360-I393 HydrophobicContact CB-CD1 4.4Å; L360-I393 HydrophobicContact CB-CG1 4.34Å; L363-I393 HydrophobicContact CD2-CG1 4.31Å; L363-I393 HydrophobicContact CD2-CG2 4.27Å; F376-I393 HydrophobicContact CE2-CD1 4.36Å; F376-I393 HydrophobicContact CZ-CD1 4.49Å; Q391-I393 HydrophobicContact CG-CD1 4.03Å
394	A	97.9	Very high	95.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.4	174	0	0	0	0	0	110.4	V278 I279 D280 L281 Y355 L357	V278-A394 HydrophobicContact CG2-CB 4.04Å; I279-A394 PolarHBondContact O-N 3.13Å; D280-A394 WeakPolarHBondContact OD1-CB 3.39Å; L281-A394 PolarHBondContact N-O 2.78Å; Y355-A394 HydrophobicContact CE2-CB 3.7Å; Y355-A394 WeakPolarHBondContact OH-CB 3.36Å; L357-A394 HydrophobicContact CD2-CB 3.85Å
395	L	97.5	Very high	96	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.3	167	-52.7	-177.8	0	0	0	107.7	L281 Y355 E356 V358 L363 I366 R398 F401	L281-L395 HydrophobicContact CB-CD2 3.94Å; L281-L395 HydrophobicContact CD1-CD2 3.82Å; L281-L395 HydrophobicContact CG-CD2 4.33Å; Y355-L395 CarbonylContact C-O 3.16Å; Y355-L395 VanDerWaalsContact CA-O 3.31Å; Y355-L395 WeakPolarHBondContact CA-O 3.42Å; E356-L395 HydrophobicContact CB-CB 4.36Å; E356-L395 PolarHBondContact N-O 3.15Å; E356-L395 PolarHBondContact O-N 2.75Å; V358-L395 HydrophobicContact CG1-CD1 4.29Å; V358-L395 HydrophobicContact CG2-CG 4.36Å; L363-L395 HydrophobicContact CD1-CD2 4.02Å; I366-L395 HydrophobicContact CD1-CD1 4.45Å; I366-L395 HydrophobicContact CG2-CD1 4.5Å; L395-R398 HydrophobicContact CB-CB 4.13Å; L395-R398 HydrophobicContact CD1-CB 4.47Å; L395-F401 HydrophobicContact CD1-CD1 3.96Å; L395-F401 HydrophobicContact CD1-CE1 4.33Å; L395-F401 HydrophobicContact CD2-CD1 4.05Å; L395-F401 HydrophobicContact CD2-CE1 4.01Å; L395-F401 HydrophobicContact CD2-CG 4.38Å; L395-F401 HydrophobicContact CD2-CZ 4.32Å
396	H	95.2	Very high	96.2	Very high	52 Å²	52	45.6 Å²	45.6	24%	0.241	22%	0.224	C	C	.	.	S	Bend	trans	-81.5	-28	-179.9	-75.2	-110.4	0	0	0	113	Q271 D280 L281 V282 N354 Y355	Q271-H396 PolarHBondContact NE2-CE1 2.96Å; D280-H396 IonicContact OD1-CD2 2.8Å; D280-H396 IonicContact OD1-CE1 3.69Å; D280-H396 IonicContact OD1-NE2 2.78Å; D280-H396 PolarHBondContact OD1-NE2 3.2Å; L281-H396 PolarHBondContact O-N 3.26Å; L281-H396 VanDerWaalsContact O-N 3.08Å; V282-H396 HydrophobicContact CG1-CB 4.06Å; N354-H396 CarbonylContact C-O 3.33Å; N354-H396 WeakPolarHBondContact CB-O 3.3Å; N354-H396 CarbonylContact O-C 3.56Å; Y355-H396 AromaticContact CE2-CE1 3.83Å; Y355-H396 AromaticContact CE2-NE2 3.81Å
397	D	95.3	Very high	96.3	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.043	20%	0.195	C	C	.	.	S	Bend	trans	-123.3	45.6	-178.4	75	-21.2	0	0	0	112.2	T399 F400 F401 R404	D397-T399 CarbonylContact O-C 3.53Å; D397-T399 PolarHBondContact O-N 3.37Å; D397-F400 HydrophobicContact CB-CB 4.24Å; D397-F400 HydrophobicContact CB-CD2 4.37Å; D397-F400 CarbonylContact O-C 3.35Å; D397-F400 WeakPolarHBondContact O-CA 3.25Å; D397-F400 WeakPolarHBondContact O-CB 3.35Å; D397-F400 PolarHBondContact O-N 3.33Å; D397-F401 PolarHBondContact O-N 3.4Å; D397-R404 VanDerWaalsContact CG-NH2 3.26Å; D397-R404 IonicContact OD1-CZ 3.23Å; D397-R404 IonicContact OD1-NH1 3.46Å; D397-R404 IonicContact OD1-NH2 2.74Å; D397-R404 PolarHBondContact OD1-NH2 3.29Å; D397-R404 IonicContact OD2-CZ 2.66Å; D397-R404 IonicContact OD2-NH1 3.95Å; D397-R404 PolarHBondContact OD2-NH1 3.3Å; D397-R404 IonicContact OD2-NH2 3.8Å; D397-R404 PolarHBondContact OD2-NH2 3.46Å
398	R	95.5	Very high	96.5	Very high	91 Å²	91	38.7 Å²	38.7	34%	0.343	19%	0.194	S	C	.	.	H	α-helix	trans	-43.3	-34.6	-165.7	78.7	-171.8	171.9	-177.2	-11.5	117.2	K353 N354 E356 L395 R402	K353-R398 PolarHBondContact O-NE 3.14Å; K353-R398 PolarHBondContact O-NH2 3.33Å; N354-R398 HydrophobicContact CB-CG 4.31Å; N354-R398 WeakPolarHBondContact O-CB 2.99Å; N354-R398 WeakPolarHBondContact O-CD 3.39Å; N354-R398 VanDerWaalsContact O-CG 3.23Å; N354-R398 WeakPolarHBondContact O-CG 3.38Å; N354-R398 PolarHBondContact O-N 3.06Å; E356-R398 HydrophobicContact CB-CB 3.92Å; E356-R398 HydrophobicContact CB-CG 4.47Å; E356-R398 WeakPolarHBondContact OE2-CB 3.49Å; E356-R398 WeakPolarHBondContact OE2-CD 3.36Å; L395-R398 HydrophobicContact CB-CB 4.13Å; L395-R398 HydrophobicContact CD1-CB 4.47Å; R398-R402 WeakPolarHBondContact O-CG 3.25Å; R398-R402 PolarHBondContact O-N 3.4Å; R398-R402 PolarHBondContact O-NH1 2.88Å
399	T	95.9	Very high	96.7	Very high	62 Å²	62	41.3 Å²	41.3	38%	0.38	20%	0.2	S	C	.	.	H	α-helix	trans	-72.4	-54.2	178.8	-53.8	0	0	0	0	109.5	N354 D397 F401 R402 E403	N354-T399 WeakPolarHBondContact OD1-CB 3.26Å; N354-T399 PolarHBondContact OD1-OG1 2.9Å; D397-T399 CarbonylContact O-C 3.53Å; D397-T399 PolarHBondContact O-N 3.37Å; T399-F401 PolarHBondContact O-N 3.18Å; T399-R402 WeakPolarHBondContact O-CB 3.48Å; T399-R402 PolarHBondContact O-N 3.48Å; T399-E403 PolarHBondContact O-N 2.9Å
400	F	96.2	Very high	97	Very high	40 Å²	40	42.2 Å²	42.2	18%	0.175	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-37.5	178.3	-61.6	-77.6	0	0	0	112.4	R342 E344 D397 R402 E403 R404	R342-F400 WeakPolarHBondContact O-CB 3.31Å; E344-F400 HydrophobicContact CB-CD2 3.63Å; E344-F400 HydrophobicContact CB-CE2 3.46Å; E344-F400 VanDerWaalsContact CB-CE2 3.46Å; E344-F400 HydrophobicContact CB-CG 4.29Å; E344-F400 HydrophobicContact CB-CZ 3.97Å; E344-F400 VanDerWaalsContact CD-CE2 3.46Å; E344-F400 HydrophobicContact CG-CD2 4.26Å; E344-F400 HydrophobicContact CG-CE2 3.62Å; E344-F400 HydrophobicContact CG-CZ 4.09Å; D397-F400 HydrophobicContact CB-CB 4.24Å; D397-F400 HydrophobicContact CB-CD2 4.37Å; D397-F400 CarbonylContact O-C 3.35Å; D397-F400 WeakPolarHBondContact O-CA 3.25Å; D397-F400 WeakPolarHBondContact O-CB 3.35Å; D397-F400 PolarHBondContact O-N 3.33Å; F400-R402 VanDerWaalsContact C-N 3.33Å; F400-R402 PolarHBondContact O-N 2.86Å; F400-E403 PolarHBondContact O-N 2.82Å; F400-R404 WeakPolarHBondContact O-CG 3.39Å; F400-R404 PolarHBondContact O-N 2.76Å
401	F	97.1	Very high	97.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.4	-43.5	171.8	-179.7	-100.5	0	0	0	112.4	L262 L281 L363 I366 C367 W372 L395 D397 T399 C405	L262-F401 HydrophobicContact CG-CE2 4.4Å; L281-F401 HydrophobicContact CD1-CE2 4.09Å; L281-F401 HydrophobicContact CD1-CZ 4.02Å; L363-F401 HydrophobicContact CD1-CE1 3.92Å; L363-F401 HydrophobicContact CD1-CZ 4.05Å; I366-F401 HydrophobicContact CG2-CD1 4.37Å; I366-F401 HydrophobicContact CG2-CE1 4.22Å; C367-F401 HydrophobicContact CB-CE1 3.76Å; C367-F401 HydrophobicContact CB-CZ 3.99Å; W372-F401 HydrophobicContact CH2-CE2 4.2Å; W372-F401 AromaticContact CH2-CZ 3.86Å; W372-F401 HydrophobicContact CH2-CZ 3.86Å; W372-F401 HydrophobicContact CZ2-CE2 4.49Å; W372-F401 AromaticContact CZ2-CZ 3.77Å; W372-F401 HydrophobicContact CZ2-CZ 3.77Å; L395-F401 HydrophobicContact CD1-CD1 3.96Å; L395-F401 HydrophobicContact CD1-CE1 4.33Å; L395-F401 HydrophobicContact CD2-CD1 4.05Å; L395-F401 HydrophobicContact CD2-CE1 4.01Å; L395-F401 HydrophobicContact CD2-CG 4.38Å; L395-F401 HydrophobicContact CD2-CZ 4.32Å; D397-F401 PolarHBondContact O-N 3.4Å; T399-F401 PolarHBondContact O-N 3.18Å; F401-C405 WeakPolarHBondContact O-CB 3.36Å; F401-C405 PolarHBondContact O-N 3.22Å
402	R	97.8	Very high	97.2	Very high	88 Å²	88	39.1 Å²	39.1	33%	0.332	19%	0.189	S	C	.	.	H	α-helix	trans	-66.5	-41	175.5	-74.5	174	176.3	85.3	-6.9	112	E356 I366 R398 T399 F400 C405 A406	E356-R402 IonicContact OE1-CZ 2.65Å; E356-R402 IonicContact OE1-NH2 2.65Å; E356-R402 PolarHBondContact OE1-NH2 3.06Å; E356-R402 IonicContact OE2-CZ 3.69Å; E356-R402 IonicContact OE2-NH1 2.64Å; E356-R402 PolarHBondContact OE2-NH1 2.97Å; E356-R402 IonicContact OE2-NH2 3.11Å; E356-R402 PolarHBondContact OE2-NH2 2.86Å; I366-R402 HydrophobicContact CG2-CG 3.92Å; R398-R402 WeakPolarHBondContact O-CG 3.25Å; R398-R402 PolarHBondContact O-N 3.4Å; R398-R402 PolarHBondContact O-NH1 2.88Å; T399-R402 WeakPolarHBondContact O-CB 3.48Å; T399-R402 PolarHBondContact O-N 3.48Å; F400-R402 VanDerWaalsContact C-N 3.33Å; F400-R402 PolarHBondContact O-N 2.86Å; R402-C405 PolarHBondContact O-N 2.75Å; R402-A406 WeakPolarHBondContact O-CB 3.27Å; R402-A406 PolarHBondContact O-N 2.94Å
403	E	97.5	Very high	97.2	Very high	79 Å²	79	42.9 Å²	42.9	37%	0.369	20%	0.202	S	C	.	.	H	α-helix	trans	-63.2	-45.1	175.9	-69.7	-179.4	173.6	0	0	112.6	R342 T399 F400 C405 A406 L407	R342-E403 HydrophobicContact CB-CB 4.07Å; R342-E403 HydrophobicContact CG-CB 3.97Å; T399-E403 PolarHBondContact O-N 2.9Å; F400-E403 PolarHBondContact O-N 2.82Å; E403-C405 VanDerWaalsContact C-N 3.34Å; E403-A406 PolarHBondContact O-N 2.65Å; E403-L407 PolarHBondContact O-N 2.67Å
404	R	97.7	Very high	97.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-43.7	173	-68.5	-170.7	-58.5	-86	3.8	110.7	L262 I339 R342 D397 F400 A406 L407 F408	L262-R404 HydrophobicContact CD1-CB 3.87Å; L262-R404 PolarHBondContact O-NE 2.91Å; I339-R404 HydrophobicContact CD1-CB 4.46Å; I339-R404 HydrophobicContact CD1-CG 4.21Å; R342-R404 HydrophobicContact CB-CG 3.8Å; R342-R404 VanDerWaalsContact O-CG 3.27Å; R342-R404 WeakPolarHBondContact O-CG 3.32Å; R342-R404 PolarHBondContact O-NH1 3.45Å; D397-R404 VanDerWaalsContact CG-NH2 3.26Å; D397-R404 IonicContact OD1-CZ 3.23Å; D397-R404 IonicContact OD1-NH1 3.46Å; D397-R404 IonicContact OD1-NH2 2.74Å; D397-R404 PolarHBondContact OD1-NH2 3.29Å; D397-R404 IonicContact OD2-CZ 2.66Å; D397-R404 IonicContact OD2-NH1 3.95Å; D397-R404 PolarHBondContact OD2-NH1 3.3Å; D397-R404 IonicContact OD2-NH2 3.8Å; D397-R404 PolarHBondContact OD2-NH2 3.46Å; F400-R404 WeakPolarHBondContact O-CG 3.39Å; F400-R404 PolarHBondContact O-N 2.76Å; R404-A406 VanDerWaalsContact C-N 3.31Å; R404-A406 PolarHBondContact O-N 3.13Å; R404-L407 WeakPolarHBondContact O-CB 3.49Å; R404-L407 PolarHBondContact O-N 2.97Å; R404-L407 VanDerWaalsContact O-N 3.14Å; R404-F408 WeakPolarHBondContact O-CD2 3.47Å; R404-F408 PolarHBondContact O-N 3.19Å
405	C	97.9	Very high	96.9	Very high	6 Å²	6	51 Å²	51	4%	0.041	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-39	177.2	-166.2	0	0	0	0	112.9	L262 C367 F401 R402 E403 F408 K409	L262-C405 HydrophobicContact CD1-CB 4.24Å; C367-C405 WeakPolarHBondContact CA-SG 3.47Å; C367-C405 HydrophobicContact CB-CB 3.84Å; C367-C405 WeakPolarHBondContact CB-SG 3.41Å; C367-C405 WeakPolarHBondContact SG-CB 3.42Å; C367-C405 CovalentContact SG-SG 2.03Å; C367-C405 PolarHBondContact SG-SG 2.76Å; F401-C405 WeakPolarHBondContact O-CB 3.36Å; F401-C405 PolarHBondContact O-N 3.22Å; R402-C405 PolarHBondContact O-N 2.75Å; E403-C405 VanDerWaalsContact C-N 3.34Å; C405-F408 PolarHBondContact O-N 3.15Å; C405-K409 WeakPolarHBondContact O-CB 3.46Å; C405-K409 PolarHBondContact O-N 2.96Å
406	A	98.1	Very high	96.8	Very high	52 Å²	52	55.2 Å²	55.2	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-63	-43.3	172.6	0	0	0	0	0	111.8	R402 E403 R404 F408 K409 E410	R402-A406 WeakPolarHBondContact O-CB 3.27Å; R402-A406 PolarHBondContact O-N 2.94Å; E403-A406 PolarHBondContact O-N 2.65Å; R404-A406 VanDerWaalsContact C-N 3.31Å; R404-A406 PolarHBondContact O-N 3.13Å; A406-F408 PolarHBondContact O-N 3.27Å; A406-K409 WeakPolarHBondContact O-CB 3.45Å; A406-K409 PolarHBondContact O-N 3.31Å; A406-E410 WeakPolarHBondContact O-CG 3.4Å; A406-E410 PolarHBondContact O-N 3.46Å
407	L	98.1	Very high	96.8	Very high	14 Å²	14	53 Å²	53	7%	0.073	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-50.2	174	-177.8	71.7	0	0	0	111.4	F335 Q338 I339 E403 R404 K409 E410 Y411	F335-L407 HydrophobicContact CD2-CD2 4.48Å; F335-L407 HydrophobicContact CE2-CD2 4.13Å; Q338-L407 HydrophobicContact CB-CD1 4.15Å; Q338-L407 HydrophobicContact CB-CD2 3.72Å; I339-L407 HydrophobicContact CD1-CD2 3.72Å; I339-L407 HydrophobicContact CG1-CD2 4.2Å; E403-L407 PolarHBondContact O-N 2.67Å; R404-L407 WeakPolarHBondContact O-CB 3.49Å; R404-L407 PolarHBondContact O-N 2.97Å; R404-L407 VanDerWaalsContact O-N 3.14Å; L407-K409 VanDerWaalsContact C-N 3.29Å; L407-K409 PolarHBondContact O-N 2.85Å; L407-E410 PolarHBondContact O-N 2.99Å; L407-E410 VanDerWaalsContact O-N 3.11Å; L407-Y411 HydrophobicContact CD1-CD2 4.12Å; L407-Y411 HydrophobicContact CD1-CE2 3.68Å; L407-Y411 HydrophobicContact CG-CD2 4.23Å; L407-Y411 HydrophobicContact CG-CE2 4.1Å; L407-Y411 WeakPolarHBondContact O-CD2 3.36Å; L407-Y411 PolarHBondContact O-N 2.87Å; L407-Y411 VanDerWaalsContact O-N 3.1Å
408	F	98.2	Very high	96.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.8	-43.1	175.6	-91.7	-94.4	0	0	0	112	L246 Y250 P261 L262 F335 I339 V369 R404 C405 A406 E410 Y411 L412 L421	L246-F408 HydrophobicContact CD2-CD1 3.6Å; L246-F408 HydrophobicContact CD2-CE1 4.02Å; Y250-F408 AromaticContact CE2-CE1 3.89Å; Y250-F408 HydrophobicContact CE2-CE1 3.89Å; Y250-F408 HydrophobicContact CE2-CZ 4.42Å; Y250-F408 VanDerWaalsContact OH-CE1 3.31Å; Y250-F408 WeakPolarHBondContact OH-CE1 3.48Å; P261-F408 HydrophobicContact CB-CZ 4.13Å; L262-F408 HydrophobicContact CB-CD2 4.19Å; L262-F408 HydrophobicContact CB-CE2 3.65Å; L262-F408 HydrophobicContact CB-CZ 3.85Å; L262-F408 HydrophobicContact CD1-CD2 3.84Å; L262-F408 HydrophobicContact CD1-CE2 4.1Å; L262-F408 HydrophobicContact CG-CE2 4.45Å; F335-F408 HydrophobicContact CZ-CE1 4.32Å; F335-F408 AromaticContact CZ-CE2 3.91Å; F335-F408 HydrophobicContact CZ-CE2 3.91Å; F335-F408 AromaticContact CZ-CZ 3.79Å; F335-F408 HydrophobicContact CZ-CZ 3.79Å; I339-F408 HydrophobicContact CD1-CD2 4.29Å; I339-F408 HydrophobicContact CD1-CE2 3.74Å; V369-F408 HydrophobicContact CG1-CB 4.33Å; V369-F408 HydrophobicContact CG2-CB 4.12Å; R404-F408 WeakPolarHBondContact O-CD2 3.47Å; R404-F408 PolarHBondContact O-N 3.19Å; C405-F408 PolarHBondContact O-N 3.15Å; A406-F408 PolarHBondContact O-N 3.27Å; F408-E410 VanDerWaalsContact C-N 3.29Å; F408-E410 PolarHBondContact O-N 2.88Å; F408-Y411 PolarHBondContact O-N 2.97Å; F408-L412 VanDerWaalsContact O-CG 3.29Å; F408-L412 WeakPolarHBondContact O-CG 3.47Å; F408-L412 PolarHBondContact O-N 3.16Å; F408-L421 HydrophobicContact CD1-CD1 4.07Å; F408-L421 HydrophobicContact CD1-CD2 3.81Å; F408-L421 HydrophobicContact CE1-CD1 4.48Å; F408-L421 HydrophobicContact CE1-CD2 3.68Å; F408-L421 HydrophobicContact CZ-CD2 4.34Å
409	K	97.6	Very high	96.8	Very high	114 Å²	114	51.7 Å²	51.7	50%	0.496	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-33.5	176.9	-172.5	178.8	179.2	-179.8	0	112.9	V369 C405 A406 L407 K413	V369-K409 HydrophobicContact CG1-CB 3.77Å; V369-K409 HydrophobicContact CG1-CG 4.45Å; C405-K409 WeakPolarHBondContact O-CB 3.46Å; C405-K409 PolarHBondContact O-N 2.96Å; A406-K409 WeakPolarHBondContact O-CB 3.45Å; A406-K409 PolarHBondContact O-N 3.31Å; L407-K409 VanDerWaalsContact C-N 3.29Å; L407-K409 PolarHBondContact O-N 2.85Å; K409-K413 WeakPolarHBondContact O-CG 3.49Å
410	E	97.9	Very high	96.8	Very high	100 Å²	100	49.1 Å²	49.1	47%	0.467	24%	0.241	S	C	.	.	H	α-helix	trans	-70.7	-44.8	173.9	-65.3	-52.4	122.7	0	0	112	A406 L407 F408 L412 K413	A406-E410 WeakPolarHBondContact O-CG 3.4Å; A406-E410 PolarHBondContact O-N 3.46Å; L407-E410 PolarHBondContact O-N 2.99Å; L407-E410 VanDerWaalsContact O-N 3.11Å; F408-E410 VanDerWaalsContact C-N 3.29Å; F408-E410 PolarHBondContact O-N 2.88Å; E410-L412 VanDerWaalsContact C-N 3.31Å; E410-L412 PolarHBondContact O-N 3.09Å; E410-K413 WeakPolarHBondContact O-CB 3.18Å; E410-K413 PolarHBondContact O-N 3.47Å; E410-K413 VanDerWaalsContact O-N 3.17Å; E410-K413 WeakPolarHBondContact OE1-CE 3.33Å; E410-K413 IonicContact OE1-NZ 3.87Å; E410-K413 PolarHBondContact OE1-NZ 3.2Å; E410-K413 WeakPolarHBondContact OE2-CE 3.15Å; E410-K413 IonicContact OE2-NZ 3.99Å; E410-K413 PolarHBondContact OE2-NZ 3.25Å
411	Y	97.8	Very high	96.8	Very high	47 Å²	47	47.2 Å²	47.2	18%	0.184	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-38.2	178.2	-85.3	-112.7	0	0	0	112.2	F335 L407 F408 K413 T414 G417 I418 T420 L421	F335-Y411 HydrophobicContact CB-CE1 4.43Å; F335-Y411 HydrophobicContact CD2-CD1 4.19Å; F335-Y411 AromaticContact CD2-CE1 3.71Å; F335-Y411 HydrophobicContact CD2-CE1 3.71Å; F335-Y411 HydrophobicContact CD2-CE2 4.13Å; F335-Y411 AromaticContact CD2-CZ 3.67Å; F335-Y411 HydrophobicContact CE2-CE1 4.45Å; F335-Y411 HydrophobicContact CG-CE1 4.39Å; L407-Y411 HydrophobicContact CD1-CD2 4.12Å; L407-Y411 HydrophobicContact CD1-CE2 3.68Å; L407-Y411 HydrophobicContact CG-CD2 4.23Å; L407-Y411 HydrophobicContact CG-CE2 4.1Å; L407-Y411 WeakPolarHBondContact O-CD2 3.36Å; L407-Y411 PolarHBondContact O-N 2.87Å; L407-Y411 VanDerWaalsContact O-N 3.1Å; F408-Y411 PolarHBondContact O-N 2.97Å; Y411-K413 PolarHBondContact O-N 3Å; Y411-K413 VanDerWaalsContact O-N 3.13Å; Y411-T414 PolarHBondContact O-N 2.81Å; Y411-G417 CarbonylContact O-C 3.54Å; Y411-G417 VanDerWaalsContact O-CA 3.3Å; Y411-G417 WeakPolarHBondContact O-CA 3.32Å; Y411-I418 PolarHBondContact O-N 3.17Å; Y411-T420 HydrophobicContact CD1-CG2 4.45Å; Y411-T420 HydrophobicContact CE1-CG2 3.86Å; Y411-L421 HydrophobicContact CD1-CD2 4.28Å; Y411-L421 HydrophobicContact CD1-CG 4.3Å; Y411-L421 HydrophobicContact CG-CD2 4.35Å; Y411-L421 HydrophobicContact CG-CG 4.46Å
412	L	97.6	Very high	96.7	Very high	32 Å²	32	47.6 Å²	47.6	17%	0.168	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.5	177.6	-70.5	172.5	0	0	0	114.8	F244 L246 V369 F408 E410 T414 I418 L421	F244-L412 HydrophobicContact CD1-CD2 3.71Å; F244-L412 HydrophobicContact CE1-CD2 3.66Å; L246-L412 HydrophobicContact CB-CD2 4.24Å; L246-L412 HydrophobicContact CD2-CD1 4.22Å; V369-L412 HydrophobicContact CB-CD1 3.82Å; V369-L412 HydrophobicContact CG1-CD1 4.05Å; F408-L412 VanDerWaalsContact O-CG 3.29Å; F408-L412 WeakPolarHBondContact O-CG 3.47Å; F408-L412 PolarHBondContact O-N 3.16Å; E410-L412 VanDerWaalsContact C-N 3.31Å; E410-L412 PolarHBondContact O-N 3.09Å; L412-T414 VanDerWaalsContact C-N 3.31Å; L412-T414 PolarHBondContact O-N 3.09Å; L412-I418 HydrophobicContact CD2-CG1 4.22Å; L412-L421 HydrophobicContact CD2-CD1 3.81Å; L412-L421 HydrophobicContact CG-CD1 4.03Å
413	K	97.1	Very high	96.6	Very high	116 Å²	116	43.5 Å²	43.5	50%	0.504	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-15	179.4	-65.3	176.7	-173	173.3	0	114.2	P241 K409 E410 Y411	P241-K413 WeakPolarHBondContact CG-O 3.4Å; K409-K413 WeakPolarHBondContact O-CG 3.49Å; E410-K413 WeakPolarHBondContact O-CB 3.18Å; E410-K413 PolarHBondContact O-N 3.47Å; E410-K413 VanDerWaalsContact O-N 3.17Å; E410-K413 WeakPolarHBondContact OE1-CE 3.33Å; E410-K413 IonicContact OE1-NZ 3.87Å; E410-K413 PolarHBondContact OE1-NZ 3.2Å; E410-K413 WeakPolarHBondContact OE2-CE 3.15Å; E410-K413 IonicContact OE2-NZ 3.99Å; E410-K413 PolarHBondContact OE2-NZ 3.25Å; Y411-K413 PolarHBondContact O-N 3Å; Y411-K413 VanDerWaalsContact O-N 3.13Å
414	T	96.2	Very high	96.6	Very high	70 Å²	70	39.9 Å²	39.9	43%	0.429	20%	0.202	S	C	.	.	S	Bend	trans	-136.9	147.3	-171	66.8	0	0	0	0	111.5	Y411 L412 T416 G417 I418	Y411-T414 PolarHBondContact O-N 2.81Å; L412-T414 VanDerWaalsContact C-N 3.31Å; L412-T414 PolarHBondContact O-N 3.09Å; T414-T416 VanDerWaalsContact C-N 3.28Å; T414-T416 PolarHBondContact O-N 2.66Å; T414-G417 PolarHBondContact O-N 3.38Å; T414-G417 PolarHBondContact OG1-N 2.88Å; T414-I418 VanDerWaalsContact O-CG1 3.31Å; T414-I418 WeakPolarHBondContact O-CG1 3.5Å; T414-I418 PolarHBondContact O-N 2.9Å
415	E	93.6	Very high	96.5	Very high	100 Å²	100	39.9 Å²	39.9	47%	0.467	20%	0.202	S	C	.	.	H	α-helix	trans	-56.4	-43.1	175.7	-170.8	-168.1	136.7	0	0	111.6	F239 G417 I418 R419	F239-E415 HydrophobicContact CB-CG 3.76Å; F239-E415 WeakPolarHBondContact O-CA 3.49Å; E415-G417 PolarHBondContact O-N 2.71Å; E415-I418 PolarHBondContact O-N 3.38Å; E415-R419 WeakPolarHBondContact O-CG 3.48Å; E415-R419 PolarHBondContact O-N 3.1Å
416	T	94.1	Very high	96.4	Very high	88 Å²	88	39.6 Å²	39.6	54%	0.54	20%	0.201	S	C	.	.	H	α-helix	trans	-59.6	-46	176.5	-48.5	0	0	0	0	111.9	T414 R419 T420	T414-T416 VanDerWaalsContact C-N 3.28Å; T414-T416 PolarHBondContact O-N 2.66Å; T416-R419 WeakPolarHBondContact O-CB 3.39Å; T416-R419 PolarHBondContact O-N 3.36Å; T416-T420 PolarHBondContact O-N 3.17Å; T416-T420 PolarHBondContact O-OG1 3.23Å; T416-T420 VanDerWaalsContact O-OG1 3.1Å
417	G	96.2	Very high	96.3	Very high	6 Å²	6	37.1 Å²	37.1	6%	0.062	18%	0.18	C	C	.	.	H	α-helix	trans	-64.8	-40.8	178.1	0	0	0	0	0	112.5	Y411 T414 E415 R419 T420 L421	Y411-G417 CarbonylContact O-C 3.54Å; Y411-G417 VanDerWaalsContact O-CA 3.3Å; Y411-G417 WeakPolarHBondContact O-CA 3.32Å; T414-G417 PolarHBondContact O-N 3.38Å; T414-G417 PolarHBondContact OG1-N 2.88Å; E415-G417 PolarHBondContact O-N 2.71Å; G417-R419 VanDerWaalsContact C-N 3.34Å; G417-R419 PolarHBondContact O-N 3.42Å; G417-T420 PolarHBondContact O-N 3.1Å; G417-L421 WeakPolarHBondContact O-CG 3.49Å; G417-L421 PolarHBondContact O-N 3.07Å
418	I	95.7	Very high	96.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-40.7	174.8	-61.5	162.6	0	0	0	110.7	F239 P241 F244 Y411 L412 T414 E415 L421 H422	F239-I418 HydrophobicContact CB-CG2 4.42Å; F239-I418 HydrophobicContact CD1-CG2 3.85Å; F239-I418 VanDerWaalsContact O-CD1 3.28Å; F239-I418 WeakPolarHBondContact O-CD1 3.19Å; P241-I418 HydrophobicContact CB-CD1 4.19Å; P241-I418 HydrophobicContact CG-CD1 3.81Å; F244-I418 HydrophobicContact CB-CD1 4.26Å; F244-I418 HydrophobicContact CB-CG2 4.16Å; F244-I418 HydrophobicContact CD1-CD1 4.5Å; F244-I418 HydrophobicContact CD1-CG1 4.31Å; F244-I418 HydrophobicContact CD1-CG2 3.57Å; F244-I418 HydrophobicContact CD2-CG2 3.55Å; F244-I418 HydrophobicContact CE1-CG2 3.72Å; F244-I418 HydrophobicContact CE2-CG2 3.7Å; F244-I418 HydrophobicContact CG-CG2 3.47Å; F244-I418 VanDerWaalsContact CG-CG2 3.47Å; F244-I418 HydrophobicContact CZ-CG2 3.78Å; Y411-I418 PolarHBondContact O-N 3.17Å; L412-I418 HydrophobicContact CD2-CG1 4.22Å; T414-I418 VanDerWaalsContact O-CG1 3.31Å; T414-I418 WeakPolarHBondContact O-CG1 3.5Å; T414-I418 PolarHBondContact O-N 2.9Å; E415-I418 PolarHBondContact O-N 3.38Å; I418-L421 PolarHBondContact O-N 3.39Å; I418-H422 PolarHBondContact O-N 3.27Å
419	R	94.1	Very high	96.1	Very high	70 Å²	70	37 Å²	37	26%	0.264	18%	0.18	S	C	.	.	H	α-helix	trans	-60.7	-42	172.3	-74.2	173.2	59.1	156.6	-0.3	112.1	L222 F239 E328 E415 T416 G417 L421 H422 N423	L222-R419 HydrophobicContact CD1-CG 4.1Å; F239-R419 HydrophobicContact CB-CG 4.27Å; F239-R419 HydrophobicContact CD1-CG 3.69Å; F239-R419 HydrophobicContact CE1-CG 4.36Å; F239-R419 HydrophobicContact CG-CG 3.99Å; E328-R419 IonicContact OE1-NH2 3.17Å; E328-R419 PolarHBondContact OE1-NH2 2.74Å; E328-R419 IonicContact OE2-CZ 3.64Å; E328-R419 IonicContact OE2-NE 2.74Å; E328-R419 PolarHBondContact OE2-NE 3.25Å; E328-R419 IonicContact OE2-NH2 2.76Å; E328-R419 PolarHBondContact OE2-NH2 3.25Å; E415-R419 WeakPolarHBondContact O-CG 3.48Å; E415-R419 PolarHBondContact O-N 3.1Å; T416-R419 WeakPolarHBondContact O-CB 3.39Å; T416-R419 PolarHBondContact O-N 3.36Å; G417-R419 VanDerWaalsContact C-N 3.34Å; G417-R419 PolarHBondContact O-N 3.42Å; R419-L421 PolarHBondContact O-N 3.37Å; R419-H422 PolarHBondContact O-N 3.25Å; R419-N423 VanDerWaalsContact O-CB 3.31Å; R419-N423 WeakPolarHBondContact O-CB 3.41Å; R419-N423 PolarHBondContact O-N 3.46Å; R419-N423 PolarHBondContact O-ND2 3.27Å
420	T	96.4	Very high	96	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.049	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-41.5	174.3	-48.4	0	0	0	0	111.8	Q331 F335 Y411 T416 G417 N423 A424	Q331-T420 HydrophobicContact CB-CG2 4.15Å; F335-T420 HydrophobicContact CB-CG2 3.91Å; F335-T420 HydrophobicContact CG-CG2 4.43Å; Y411-T420 HydrophobicContact CD1-CG2 4.45Å; Y411-T420 HydrophobicContact CE1-CG2 3.86Å; T416-T420 PolarHBondContact O-N 3.17Å; T416-T420 PolarHBondContact O-OG1 3.23Å; T416-T420 VanDerWaalsContact O-OG1 3.1Å; G417-T420 PolarHBondContact O-N 3.1Å; T420-N423 PolarHBondContact O-N 2.77Å; T420-A424 VanDerWaalsContact O-CB 3.26Å; T420-A424 WeakPolarHBondContact O-CB 3.08Å; T420-A424 PolarHBondContact O-N 3.39Å
421	L	96.3	Very high	95.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.9	-41.2	176.5	-66.9	179.3	0	0	0	112.4	L246 F335 F408 Y411 L412 G417 I418 R419 A425	L246-L421 HydrophobicContact CD1-CD1 4.17Å; F335-L421 HydrophobicContact CD2-CD2 4.33Å; F335-L421 HydrophobicContact CE1-CD2 4.16Å; F335-L421 HydrophobicContact CE2-CD2 3.54Å; F335-L421 HydrophobicContact CZ-CD2 3.44Å; F335-L421 VanDerWaalsContact CZ-CD2 3.44Å; F408-L421 HydrophobicContact CD1-CD1 4.07Å; F408-L421 HydrophobicContact CD1-CD2 3.81Å; F408-L421 HydrophobicContact CE1-CD1 4.48Å; F408-L421 HydrophobicContact CE1-CD2 3.68Å; F408-L421 HydrophobicContact CZ-CD2 4.34Å; Y411-L421 HydrophobicContact CD1-CD2 4.28Å; Y411-L421 HydrophobicContact CD1-CG 4.3Å; Y411-L421 HydrophobicContact CG-CD2 4.35Å; Y411-L421 HydrophobicContact CG-CG 4.46Å; L412-L421 HydrophobicContact CD2-CD1 3.81Å; L412-L421 HydrophobicContact CG-CD1 4.03Å; G417-L421 WeakPolarHBondContact O-CG 3.49Å; G417-L421 PolarHBondContact O-N 3.07Å; I418-L421 PolarHBondContact O-N 3.39Å; R419-L421 PolarHBondContact O-N 3.37Å; L421-A425 WeakPolarHBondContact O-CB 3.46Å; L421-A425 PolarHBondContact O-N 2.89Å
422	H	94.9	Very high	95.7	Very high	9 Å²	9	29.6 Å²	29.6	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-66	-48.9	175.2	-179.5	-85.6	0	0	0	111.9	F218 G220 F239 M249 I418 R419 A424 A425 V426	F218-H422 PolarHBondContact O-NE2 3.31Å; F218-H422 VanDerWaalsContact O-NE2 3.09Å; G220-H422 PolarHBondContact O-CE1 2.85Å; F239-H422 HydrophobicContact CE1-CB 3.72Å; F239-H422 AromaticContact CE1-CD2 3.99Å; F239-H422 AromaticContact CE1-CG 3.76Å; M249-H422 HydrophobicContact SD-CB 3.84Å; I418-H422 PolarHBondContact O-N 3.27Å; R419-H422 PolarHBondContact O-N 3.25Å; H422-A424 VanDerWaalsContact C-N 3.29Å; H422-A424 PolarHBondContact O-N 2.94Å; H422-A425 WeakPolarHBondContact O-CB 3.36Å; H422-A425 PolarHBondContact O-N 3.12Å; H422-A425 VanDerWaalsContact O-N 3.09Å; H422-V426 WeakPolarHBondContact O-CG2 3.2Å; H422-V426 PolarHBondContact O-N 2.89Å
423	N	95.8	Very high	95.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-57.1	-42.5	175.8	-73.9	-20.2	0	0	0	111.7	W221 I332 R419 T420 V426 W427	W221-N423 PolarHBondContact NE1-OD1 3.27Å; I332-N423 HydrophobicContact CD1-CB 3.85Å; I332-N423 HydrophobicContact CG1-CB 3.82Å; R419-N423 VanDerWaalsContact O-CB 3.31Å; R419-N423 WeakPolarHBondContact O-CB 3.41Å; R419-N423 PolarHBondContact O-N 3.46Å; R419-N423 PolarHBondContact O-ND2 3.27Å; T420-N423 PolarHBondContact O-N 2.77Å; N423-V426 PolarHBondContact O-N 3.35Å; N423-W427 WeakPolarHBondContact O-CB 3.48Å; N423-W427 PolarHBondContact O-N 2.92Å
424	A	96.5	Very high	95.5	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.025	12%	0.121	C	C	.	.	H	α-helix	trans	-67.7	-34.2	176.3	0	0	0	0	0	113.1	I332 F335 T420 H422 S428	I332-A424 HydrophobicContact CG2-CB 4.02Å; F335-A424 HydrophobicContact CD1-CB 3.58Å; F335-A424 HydrophobicContact CE1-CB 3.88Å; T420-A424 VanDerWaalsContact O-CB 3.26Å; T420-A424 WeakPolarHBondContact O-CB 3.08Å; T420-A424 PolarHBondContact O-N 3.39Å; H422-A424 VanDerWaalsContact C-N 3.29Å; H422-A424 PolarHBondContact O-N 2.94Å; A424-S428 VanDerWaalsContact O-CB 3.31Å; A424-S428 WeakPolarHBondContact O-CB 3.41Å; A424-S428 PolarHBondContact O-N 2.92Å
425	A	95.6	Very high	95.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.1	-44.2	174.5	0	0	0	0	0	112	F218 M249 Y250 L253 L421 H422 S428 F429	F218-A425 HydrophobicContact CD1-CB 4.28Å; F218-A425 HydrophobicContact CE1-CB 3.64Å; F218-A425 HydrophobicContact CZ-CB 4.3Å; F218-A425 VanDerWaalsContact CZ-O 3.27Å; F218-A425 WeakPolarHBondContact CZ-O 3.34Å; M249-A425 HydrophobicContact CE-CB 3.75Å; M249-A425 HydrophobicContact SD-CB 4.45Å; Y250-A425 HydrophobicContact CD1-CB 4.45Å; Y250-A425 HydrophobicContact CE1-CB 3.75Å; L253-A425 HydrophobicContact CD2-CB 4.44Å; L421-A425 WeakPolarHBondContact O-CB 3.46Å; L421-A425 PolarHBondContact O-N 2.89Å; H422-A425 WeakPolarHBondContact O-CB 3.36Å; H422-A425 PolarHBondContact O-N 3.12Å; H422-A425 VanDerWaalsContact O-N 3.09Å; A425-S428 PolarHBondContact O-N 3.5Å; A425-F429 PolarHBondContact O-N 3.22Å; A425-F429 VanDerWaalsContact O-N 3.16Å
426	V	96.1	Very high	95.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.7	-46.5	173.7	178.2	0	0	0	0	110.5	I214 F218 W221 H422 N423 F429 M430	I214-V426 HydrophobicContact CD1-CG1 4.09Å; I214-V426 HydrophobicContact CG1-CG1 4.25Å; I214-V426 HydrophobicContact CG2-CG1 4.24Å; F218-V426 HydrophobicContact CB-CG2 3.96Å; F218-V426 HydrophobicContact CD1-CG2 4.21Å; F218-V426 HydrophobicContact CD2-CB 4.37Å; F218-V426 HydrophobicContact CD2-CG2 3.66Å; F218-V426 HydrophobicContact CE2-CB 4.43Å; F218-V426 HydrophobicContact CE2-CG2 4.15Å; F218-V426 HydrophobicContact CG-CG2 3.68Å; W221-V426 HydrophobicContact CB-CG1 4.22Å; W221-V426 HydrophobicContact CB-CG2 4.45Å; W221-V426 HydrophobicContact CD2-CB 4.36Å; W221-V426 HydrophobicContact CD2-CG1 3.64Å; W221-V426 HydrophobicContact CE3-CG1 3.95Å; W221-V426 HydrophobicContact CG-CB 4.3Å; W221-V426 HydrophobicContact CG-CG1 3.8Å; W221-V426 HydrophobicContact CG-CG2 4.17Å; W221-V426 HydrophobicContact CZ2-CG1 4.46Å; H422-V426 WeakPolarHBondContact O-CG2 3.2Å; H422-V426 PolarHBondContact O-N 2.89Å; N423-V426 PolarHBondContact O-N 3.35Å; V426-F429 PolarHBondContact O-N 3.46Å; V426-M430 HydrophobicContact CG1-CG 4.41Å; V426-M430 HydrophobicContact CG1-SD 3.95Å; V426-M430 WeakPolarHBondContact O-CG 3.25Å; V426-M430 PolarHBondContact O-N 3.5Å
427	W	96.7	Very high	95.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.5	-46.4	177.2	174.6	-100.2	0	0	0	112.7	S287 F308 F311 M312 Y315 I332 N423 F429 M430 W431	S287-W427 PolarHBondContact OG-NE1 3.05Å; F308-W427 HydrophobicContact CE1-CZ2 4.5Å; F308-W427 HydrophobicContact CE2-CZ2 4.04Å; F308-W427 AromaticContact CZ-CZ2 3.62Å; F308-W427 HydrophobicContact CZ-CZ2 3.62Å; F308-W427 AromaticContact CZ-NE1 3.98Å; F311-W427 AromaticContact CD1-CH2 3.98Å; F311-W427 HydrophobicContact CD1-CH2 3.98Å; F311-W427 AromaticContact CE1-CH2 3.71Å; F311-W427 HydrophobicContact CE1-CH2 3.71Å; F311-W427 HydrophobicContact CE1-CZ2 4.35Å; M312-W427 HydrophobicContact CB-CH2 4.04Å; M312-W427 HydrophobicContact CB-CZ2 4.4Å; M312-W427 HydrophobicContact CB-CZ3 4.25Å; M312-W427 HydrophobicContact CE-CD2 4.04Å; M312-W427 HydrophobicContact CE-CG 4.3Å; M312-W427 HydrophobicContact CE-CZ2 4.42Å; M312-W427 HydrophobicContact CG-CH2 3.69Å; M312-W427 HydrophobicContact CG-CZ2 3.57Å; M312-W427 HydrophobicContact CG-CZ3 4.27Å; Y315-W427 HydrophobicContact CD1-CH2 4.23Å; Y315-W427 HydrophobicContact CD1-CZ3 4.01Å; I332-W427 HydrophobicContact CD1-CB 4.01Å; I332-W427 HydrophobicContact CG2-CB 3.87Å; I332-W427 HydrophobicContact CG2-CG 3.88Å; N423-W427 WeakPolarHBondContact O-CB 3.48Å; N423-W427 PolarHBondContact O-N 2.92Å; W427-F429 VanDerWaalsContact C-N 3.25Å; W427-F429 PolarHBondContact O-N 2.95Å; W427-M430 HydrophobicContact CE3-CE 4.25Å; W427-M430 HydrophobicContact CZ3-CE 4.18Å; W427-M430 WeakPolarHBondContact O-CB 3.4Å; W427-M430 PolarHBondContact O-N 3.15Å; W427-M430 VanDerWaalsContact O-N 3.11Å; W427-W431 HydrophobicContact CZ2-CB 4.14Å; W427-W431 HydrophobicContact CZ2-CD2 4.46Å; W427-W431 HydrophobicContact CZ2-CE3 4.28Å; W427-W431 HydrophobicContact CZ2-CG 4.42Å; W427-W431 WeakPolarHBondContact O-CB 3.48Å; W427-W431 PolarHBondContact O-N 2.87Å
428	S	95.4	Very high	95.3	Very high	5 Å²	5	16 Å²	16	4%	0.035	8%	0.079	C	C	.	.	H	α-helix	trans	-57	-39.6	177.1	174.1	0	0	0	0	111.9	Y285 A424 A425 K432	Y285-S428 WeakPolarHBondContact CD1-OG 3.13Å; Y285-S428 WeakPolarHBondContact CE1-OG 3.38Å; A424-S428 VanDerWaalsContact O-CB 3.31Å; A424-S428 WeakPolarHBondContact O-CB 3.41Å; A424-S428 PolarHBondContact O-N 2.92Å; A425-S428 PolarHBondContact O-N 3.5Å; S428-K432 VanDerWaalsContact O-CB 3.26Å; S428-K432 WeakPolarHBondContact O-CB 3.48Å; S428-K432 PolarHBondContact O-N 3.32Å
429	F	95.9	Very high	95.2	Very high	7 Å²	7	21.5 Å²	21.5	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-68.5	-43.2	174.1	-179	-103	0	0	0	113	L210 Y213 I214 I217 F218 L253 A425 V426 W427 T433 F562 L566	L210-F429 HydrophobicContact CD1-CD1 4.14Å; L210-F429 HydrophobicContact CD1-CE1 3.87Å; Y213-F429 HydrophobicContact CD1-CZ 4.3Å; Y213-F429 HydrophobicContact CG-CZ 4.37Å; I214-F429 HydrophobicContact CG1-CD1 4.42Å; I217-F429 HydrophobicContact CD1-CD1 4.49Å; I217-F429 HydrophobicContact CD1-CD2 3.88Å; I217-F429 HydrophobicContact CD1-CE1 4.12Å; I217-F429 HydrophobicContact CD1-CE2 3.46Å; I217-F429 VanDerWaalsContact CD1-CE2 3.46Å; I217-F429 HydrophobicContact CD1-CG 4.38Å; I217-F429 HydrophobicContact CD1-CZ 3.6Å; F218-F429 HydrophobicContact CE2-CB 3.76Å; F218-F429 HydrophobicContact CE2-CD1 4.19Å; F218-F429 HydrophobicContact CE2-CG 4.04Å; F218-F429 HydrophobicContact CZ-CB 3.86Å; F218-F429 HydrophobicContact CZ-CG 4.44Å; L253-F429 HydrophobicContact CD1-CB 4.09Å; L253-F429 HydrophobicContact CD1-CD2 4.04Å; A425-F429 PolarHBondContact O-N 3.22Å; A425-F429 VanDerWaalsContact O-N 3.16Å; V426-F429 PolarHBondContact O-N 3.46Å; W427-F429 VanDerWaalsContact C-N 3.25Å; W427-F429 PolarHBondContact O-N 2.95Å; F429-T433 HydrophobicContact CE2-CG2 4.11Å; F429-T433 HydrophobicContact CZ-CG2 4.11Å; F429-T433 WeakPolarHBondContact O-CB 3.2Å; F429-T433 WeakPolarHBondContact O-CG2 3.47Å; F429-T433 PolarHBondContact O-N 3.13Å; F429-T433 VanDerWaalsContact O-N 3.13Å; F429-T433 PolarHBondContact O-OG1 2.98Å; F429-F562 HydrophobicContact CE1-CZ 4.3Å; F429-F562 HydrophobicContact CZ-CZ 4.2Å; F429-L566 HydrophobicContact CE2-CD1 4.37Å; F429-L566 HydrophobicContact CE2-CD2 3.9Å; F429-L566 HydrophobicContact CZ-CD1 3.94Å; F429-L566 HydrophobicContact CZ-CD2 4.21Å
430	M	96.3	Very high	95.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-44.8	175	-72.3	171.9	55.4	0	0	111.9	L210 I214 W221 Y315 L319 V426 W427 T433 V434	L210-M430 HydrophobicContact CD1-CG 4.24Å; L210-M430 HydrophobicContact CD2-CG 4.36Å; I214-M430 HydrophobicContact CD1-CG 4.12Å; I214-M430 HydrophobicContact CD1-SD 4.3Å; W221-M430 HydrophobicContact CE3-SD 4.14Å; W221-M430 HydrophobicContact CH2-CE 4.27Å; W221-M430 HydrophobicContact CH2-SD 3.81Å; W221-M430 HydrophobicContact CZ3-CE 4.01Å; W221-M430 HydrophobicContact CZ3-SD 3.5Å; W221-M430 VanDerWaalsContact CZ3-SD 3.5Å; Y315-M430 HydrophobicContact CD1-CE 3.67Å; Y315-M430 HydrophobicContact CE1-CB 4.05Å; Y315-M430 HydrophobicContact CE1-CE 3.64Å; Y315-M430 HydrophobicContact CE2-CE 4.49Å; Y315-M430 HydrophobicContact CG-CE 4.13Å; L319-M430 HydrophobicContact CD1-CE 3.75Å; L319-M430 HydrophobicContact CD2-CE 3.72Å; L319-M430 HydrophobicContact CD2-SD 3.8Å; L319-M430 HydrophobicContact CG-CE 4.34Å; V426-M430 HydrophobicContact CG1-CG 4.41Å; V426-M430 HydrophobicContact CG1-SD 3.95Å; V426-M430 WeakPolarHBondContact O-CG 3.25Å; V426-M430 PolarHBondContact O-N 3.5Å; W427-M430 HydrophobicContact CE3-CE 4.25Å; W427-M430 HydrophobicContact CZ3-CE 4.18Å; W427-M430 WeakPolarHBondContact O-CB 3.4Å; W427-M430 PolarHBondContact O-N 3.15Å; W427-M430 VanDerWaalsContact O-N 3.11Å; M430-T433 CarbonylContact O-C 3.59Å; M430-T433 PolarHBondContact O-N 2.79Å; M430-T433 PolarHBondContact O-OG1 3.49Å; M430-V434 PolarHBondContact O-N 3.05Å; M430-V434 VanDerWaalsContact O-N 3.11Å
431	W	95.8	Very high	95.1	Very high	32 Å²	32	22.5 Å²	22.5	12%	0.121	11%	0.112	C	C	.	.	H	α-helix	trans	-67.8	-45.8	179.2	-176.6	-126.9	0	0	0	111.7	Y285 S287 F308 F311 W427 T433 V434 L445 Y448	Y285-W431 AromaticContact CZ-CD1 3.92Å; S287-W431 VanDerWaalsContact CA-CD1 3.42Å; S287-W431 VanDerWaalsContact CA-NE1 3.34Å; S287-W431 PolarHBondContact O-NE1 3.4Å; F308-W431 HydrophobicContact CD2-CH2 4.19Å; F308-W431 HydrophobicContact CD2-CZ2 4.39Å; F308-W431 HydrophobicContact CE2-CD2 4.11Å; F308-W431 AromaticContact CE2-CE2 3.92Å; F308-W431 HydrophobicContact CE2-CE3 4.1Å; F308-W431 AromaticContact CE2-CH2 3.76Å; F308-W431 HydrophobicContact CE2-CH2 3.76Å; F308-W431 AromaticContact CE2-CZ2 3.75Å; F308-W431 HydrophobicContact CE2-CZ2 3.75Å; F308-W431 AromaticContact CE2-CZ3 3.93Å; F308-W431 HydrophobicContact CE2-CZ3 3.93Å; F311-W431 HydrophobicContact CD1-CE3 4.38Å; F311-W431 AromaticContact CD1-CZ3 3.93Å; F311-W431 HydrophobicContact CD1-CZ3 3.93Å; F311-W431 AromaticContact CE1-CE3 3.7Å; F311-W431 HydrophobicContact CE1-CE3 3.7Å; F311-W431 AromaticContact CE1-CZ3 3.5Å; F311-W431 HydrophobicContact CE1-CZ3 3.5Å; F311-W431 HydrophobicContact CZ-CZ3 4.3Å; W427-W431 HydrophobicContact CZ2-CB 4.14Å; W427-W431 HydrophobicContact CZ2-CD2 4.46Å; W427-W431 HydrophobicContact CZ2-CE3 4.28Å; W427-W431 HydrophobicContact CZ2-CG 4.42Å; W427-W431 WeakPolarHBondContact O-CB 3.48Å; W427-W431 PolarHBondContact O-N 2.87Å; W431-T433 PolarHBondContact O-N 3.39Å; W431-T433 VanDerWaalsContact O-N 3.07Å; W431-V434 HydrophobicContact CE3-CB 4.24Å; W431-V434 HydrophobicContact CE3-CG1 3.92Å; W431-V434 HydrophobicContact CE3-CG2 4.49Å; W431-V434 HydrophobicContact CZ3-CG1 4.04Å; W431-V434 WeakPolarHBondContact O-CB 3.45Å; W431-V434 VanDerWaalsContact O-CG1 3.26Å; W431-V434 WeakPolarHBondContact O-CG1 3.44Å; W431-V434 PolarHBondContact O-N 2.81Å; W431-V434 VanDerWaalsContact O-N 3.13Å; W431-L445 HydrophobicContact CH2-CD1 3.82Å; W431-L445 HydrophobicContact CZ3-CD1 3.62Å; W431-L445 HydrophobicContact CZ3-CD2 4.24Å; W431-Y448 HydrophobicContact CH2-CD1 4.2Å; W431-Y448 HydrophobicContact CH2-CE1 4.01Å; W431-Y448 HydrophobicContact CZ2-CE1 4.36Å
432	K	93	Very high	94.9	Very high	74 Å²	74	24.2 Å²	24.2	32%	0.322	12%	0.124	S	C	.	.	H	α-helix	trans	-64.4	-11.3	174.7	-174.9	159.4	177.6	158	0	114	S257 S428	S257-K432 PolarHBondContact O-NZ 2.78Å; S428-K432 VanDerWaalsContact O-CB 3.26Å; S428-K432 WeakPolarHBondContact O-CB 3.48Å; S428-K432 PolarHBondContact O-N 3.32Å
433	T	95.2	Very high	94.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	4	175.8	55.8	0	0	0	0	114.4	F429 M430 W431 S435 R436 F562 L566	F429-T433 HydrophobicContact CE2-CG2 4.11Å; F429-T433 HydrophobicContact CZ-CG2 4.11Å; F429-T433 WeakPolarHBondContact O-CB 3.2Å; F429-T433 WeakPolarHBondContact O-CG2 3.47Å; F429-T433 PolarHBondContact O-N 3.13Å; F429-T433 VanDerWaalsContact O-N 3.13Å; F429-T433 PolarHBondContact O-OG1 2.98Å; M430-T433 CarbonylContact O-C 3.59Å; M430-T433 PolarHBondContact O-N 2.79Å; M430-T433 PolarHBondContact O-OG1 3.49Å; W431-T433 PolarHBondContact O-N 3.39Å; W431-T433 VanDerWaalsContact O-N 3.07Å; T433-S435 VanDerWaalsContact C-N 3.3Å; T433-S435 PolarHBondContact O-N 2.89Å; T433-R436 PolarHBondContact O-N 3.05Å; T433-F562 HydrophobicContact CG2-CE2 3.99Å; T433-F562 HydrophobicContact CG2-CZ 4.27Å; T433-L566 HydrophobicContact CG2-CD2 3.95Å
434	V	95.4	Very high	94.6	Very high	22 Å²	22	31 Å²	31	13%	0.133	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-60.6	-34.5	-174	77.4	0	0	0	0	113.4	F311 Y315 M430 W431 R436 M437 V441 L445	F311-V434 HydrophobicContact CE1-CG2 4.38Å; F311-V434 HydrophobicContact CZ-CG2 3.7Å; Y315-V434 HydrophobicContact CE1-CG2 4.42Å; M430-V434 PolarHBondContact O-N 3.05Å; M430-V434 VanDerWaalsContact O-N 3.11Å; W431-V434 HydrophobicContact CE3-CB 4.24Å; W431-V434 HydrophobicContact CE3-CG1 3.92Å; W431-V434 HydrophobicContact CE3-CG2 4.49Å; W431-V434 HydrophobicContact CZ3-CG1 4.04Å; W431-V434 WeakPolarHBondContact O-CB 3.45Å; W431-V434 VanDerWaalsContact O-CG1 3.26Å; W431-V434 WeakPolarHBondContact O-CG1 3.44Å; W431-V434 PolarHBondContact O-N 2.81Å; W431-V434 VanDerWaalsContact O-N 3.13Å; V434-R436 PolarHBondContact O-N 3.2Å; V434-R436 VanDerWaalsContact O-N 3.11Å; V434-M437 WeakPolarHBondContact O-CB 3.23Å; V434-M437 PolarHBondContact O-N 2.92Å; V434-V441 HydrophobicContact CG2-CG1 3.82Å; V434-L445 HydrophobicContact CG1-CD2 4.09Å; V434-L445 HydrophobicContact CG2-CD2 3.97Å
435	S	92.1	Very high	94.5	Very high	56 Å²	56	31.6 Å²	31.6	39%	0.392	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-64.3	-13.4	176.6	63.8	0	0	0	0	114.2	T433 E468	T433-S435 VanDerWaalsContact C-N 3.3Å; T433-S435 PolarHBondContact O-N 2.89Å; S435-E468 PolarHBondContact OG-OE1 3.19Å; S435-E468 VanDerWaalsContact OG-OE1 3.04Å
436	R	94.7	Very high	94.4	Very high	26 Å²	26	35.6 Å²	35.6	10%	0.098	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-106.4	8.5	-176.8	-60.9	127.5	-175	-162.8	-9.6	113.5	T433 V434 E468 Y561 F562 A565	T433-R436 PolarHBondContact O-N 3.05Å; V434-R436 PolarHBondContact O-N 3.2Å; V434-R436 VanDerWaalsContact O-N 3.11Å; R436-E468 IonicContact CZ-OE1 2.71Å; R436-E468 IonicContact CZ-OE2 3.65Å; R436-E468 IonicContact NE-OE1 2.74Å; R436-E468 PolarHBondContact NE-OE1 2.03Å; R436-E468 IonicContact NE-OE2 3.97Å; R436-E468 PolarHBondContact NE-OE2 3.21Å; R436-E468 IonicContact NH2-OE1 3.52Å; R436-E468 IonicContact NH2-OE2 3.58Å; R436-E468 PolarHBondContact NH2-OE2 2.83Å; R436-Y561 HydrophobicContact CB-CD1 4.34Å; R436-Y561 HydrophobicContact CB-CE1 3.88Å; R436-Y561 HydrophobicContact CG-CE1 3.8Å; R436-F562 HydrophobicContact CB-CD2 4.16Å; R436-A565 HydrophobicContact CG-CB 3.96Å
437	M	95.3	Very high	94.3	Very high	13 Å²	13	40 Å²	40	6%	0.064	20%	0.199	C	C	.	.	S	Bend	trans	-85.7	161.7	-177.8	-68.9	-64.8	100.3	0	0	113.5	L207 L210 Y315 V434 V441 F562	L207-M437 HydrophobicContact CD2-SD 3.87Å; L210-M437 HydrophobicContact CB-CE 4.24Å; L210-M437 HydrophobicContact CB-SD 4.29Å; L210-M437 HydrophobicContact CD2-SD 3.92Å; Y315-M437 WeakPolarHBondContact OH-CG 3.31Å; Y315-M437 PolarHBondContact OH-SD 3.15Å; Y315-M437 VanDerWaalsContact OH-SD 3.35Å; V434-M437 WeakPolarHBondContact O-CB 3.23Å; V434-M437 PolarHBondContact O-N 2.92Å; M437-V441 HydrophobicContact CB-CB 3.59Å; M437-V441 HydrophobicContact CB-CG1 3.88Å; M437-V441 HydrophobicContact CB-CG2 3.79Å; M437-V441 HydrophobicContact CG-CB 4.22Å; M437-V441 HydrophobicContact CG-CG1 4.04Å; M437-V441 HydrophobicContact CG-CG2 4.22Å; M437-F562 HydrophobicContact CE-CD2 3.28Å; M437-F562 HydrophobicContact CE-CE2 3.26Å; M437-F562 HydrophobicContact CE-CG 4.45Å; M437-F562 HydrophobicContact CE-CZ 4.41Å
438	P	94.8	Very high	94.2	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.058	20%	0.201	C	C	.	.			trans	-54.5	161.8	167.2	-26.9	35.8	0	0	0	114.1	I202 D203 D440 V441	I202-P438 HydrophobicContact CG2-CG 4.48Å; D203-P438 VanDerWaalsContact OD1-CA 3.26Å; D203-P438 WeakPolarHBondContact OD1-CA 3.32Å; D203-P438 WeakPolarHBondContact OD1-CB 3.46Å; P438-D440 VanDerWaalsContact C-N 3.29Å; P438-D440 PolarHBondContact O-N 2.69Å; P438-V441 PolarHBondContact O-N 3.34Å
439	K	93.4	Very high	94.1	Very high	115 Å²	115	41.8 Å²	41.8	50%	0.5	21%	0.205	S	C	.	.	H	α-helix	trans	-50.6	-44	-177.5	-170.3	168.3	-174.4	-88.7	0	113.7	D203 V441 S442 E443	D203-K439 PolarHBondContact OD1-N 3.13Å; K439-V441 PolarHBondContact O-N 3.29Å; K439-S442 PolarHBondContact O-N 3.16Å; K439-E443 HydrophobicContact CG-CG 4.28Å; K439-E443 IonicContact NZ-OE1 3.18Å; K439-E443 PolarHBondContact NZ-OE1 3.41Å; K439-E443 PolarHBondContact O-N 3.47Å
440	D	92.8	Very high	94	Very high	98 Å²	98	44.9 Å²	44.9	52%	0.524	22%	0.22	S	C	.	.	H	α-helix	trans	-49.4	-35.6	177.9	-59.3	9.3	0	0	0	113.2	P438 M444	P438-D440 VanDerWaalsContact C-N 3.29Å; P438-D440 PolarHBondContact O-N 2.69Å; D440-M444 WeakPolarHBondContact O-CG 3.35Å; D440-M444 PolarHBondContact O-N 3.41Å
441	V	95.4	Very high	93.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-81.4	-34.9	179.1	-175.5	0	0	0	0	111.5	L207 F311 Y315 L318 V434 M437 P438 K439 E443 M444 L445	L207-V441 HydrophobicContact CD2-CG2 3.96Å; F311-V441 HydrophobicContact CE2-CG1 4.35Å; F311-V441 HydrophobicContact CZ-CG1 4.38Å; Y315-V441 HydrophobicContact CD2-CG1 3.94Å; Y315-V441 HydrophobicContact CD2-CG2 4.19Å; Y315-V441 HydrophobicContact CE1-CG1 4.29Å; Y315-V441 HydrophobicContact CE2-CB 4.35Å; Y315-V441 HydrophobicContact CE2-CG1 3.61Å; Y315-V441 HydrophobicContact CE2-CG2 3.69Å; Y315-V441 HydrophobicContact CG-CG1 4.43Å; L318-V441 HydrophobicContact CD2-CG2 3.8Å; V434-V441 HydrophobicContact CG2-CG1 3.82Å; M437-V441 HydrophobicContact CB-CB 3.59Å; M437-V441 HydrophobicContact CB-CG1 3.88Å; M437-V441 HydrophobicContact CB-CG2 3.79Å; M437-V441 HydrophobicContact CG-CB 4.22Å; M437-V441 HydrophobicContact CG-CG1 4.04Å; M437-V441 HydrophobicContact CG-CG2 4.22Å; P438-V441 PolarHBondContact O-N 3.34Å; K439-V441 PolarHBondContact O-N 3.29Å; V441-E443 VanDerWaalsContact C-N 3.34Å; V441-M444 PolarHBondContact O-N 3.2Å; V441-L445 PolarHBondContact O-N 3.38Å
442	S	91.1	Very high	93.7	Very high	36 Å²	36	45 Å²	45	25%	0.252	22%	0.223	S	C	.	.	H	α-helix	trans	-65.4	-40.4	175	-156.9	0	0	0	0	111.1	K439 L445 E446 R449 D458	K439-S442 PolarHBondContact O-N 3.16Å; S442-L445 PolarHBondContact O-N 3.03Å; S442-L445 VanDerWaalsContact O-N 3.11Å; S442-E446 PolarHBondContact O-N 2.91Å; S442-R449 PolarHBondContact O-NH1 2.91Å; S442-R449 PolarHBondContact O-NH2 2.85Å; S442-R449 PolarHBondContact OG-NH2 3.42Å; S442-D458 PolarHBondContact OG-OD2 3.45Å
443	E	92.6	Very high	93.7	Very high	87 Å²	87	43.4 Å²	43.4	41%	0.407	22%	0.217	S	C	.	.	H	α-helix	trans	-60.6	-44.9	175.3	-69.7	-177.9	172.5	0	0	111.5	K439 V441 L445 E446	K439-E443 HydrophobicContact CG-CG 4.28Å; K439-E443 IonicContact NZ-OE1 3.18Å; K439-E443 PolarHBondContact NZ-OE1 3.41Å; K439-E443 PolarHBondContact O-N 3.47Å; V441-E443 VanDerWaalsContact C-N 3.34Å; E443-L445 PolarHBondContact O-N 3.43Å; E443-L445 VanDerWaalsContact O-N 3.13Å; E443-E446 WeakPolarHBondContact O-CB 3.39Å; E443-E446 WeakPolarHBondContact O-CG 3.32Å; E443-E446 PolarHBondContact O-N 3.24Å; E443-E446 VanDerWaalsContact O-N 3.16Å
444	M	93.5	Very high	93.6	Very high	65 Å²	65	43.6 Å²	43.6	32%	0.32	22%	0.22	S	C	.	.	H	α-helix	trans	-60.3	-24.7	175.1	-73.8	-171.4	-171.4	0	0	113.9	F311 N314 L318 D440 V441	F311-M444 HydrophobicContact CD2-CB 4.08Å; F311-M444 WeakPolarHBondContact CD2-O 3.49Å; F311-M444 HydrophobicContact CE2-CB 4.14Å; N314-M444 HydrophobicContact CB-SD 4.08Å; L318-M444 HydrophobicContact CB-CE 4.08Å; L318-M444 HydrophobicContact CB-SD 4.32Å; L318-M444 HydrophobicContact CD1-CE 3.94Å; L318-M444 HydrophobicContact CD2-CE 3.93Å; L318-M444 HydrophobicContact CD2-SD 4.12Å; L318-M444 HydrophobicContact CG-CE 4.19Å; D440-M444 WeakPolarHBondContact O-CG 3.35Å; D440-M444 PolarHBondContact O-N 3.41Å; V441-M444 PolarHBondContact O-N 3.2Å
445	L	93.6	Very high	93.4	Very high	16 Å²	16	43.7 Å²	43.7	8%	0.084	22%	0.219	C	C	.	.	H	α-helix	trans	-91.1	-7.7	-177.1	-178.1	65.9	0	0	0	112.8	F311 W431 V434 V441 S442 E443 E447 Y448 R449	F311-L445 HydrophobicContact CD1-CD1 3.9Å; F311-L445 HydrophobicContact CD2-CB 3.91Å; F311-L445 HydrophobicContact CD2-CD1 3.91Å; F311-L445 HydrophobicContact CE1-CD1 4.03Å; F311-L445 HydrophobicContact CE2-CB 3.72Å; F311-L445 HydrophobicContact CE2-CD1 4.03Å; F311-L445 HydrophobicContact CE2-CG 4.41Å; F311-L445 HydrophobicContact CG-CD1 3.85Å; F311-L445 HydrophobicContact CZ-CB 4.35Å; F311-L445 HydrophobicContact CZ-CD1 4.1Å; W431-L445 HydrophobicContact CH2-CD1 3.82Å; W431-L445 HydrophobicContact CZ3-CD1 3.62Å; W431-L445 HydrophobicContact CZ3-CD2 4.24Å; V434-L445 HydrophobicContact CG1-CD2 4.09Å; V434-L445 HydrophobicContact CG2-CD2 3.97Å; V441-L445 PolarHBondContact O-N 3.38Å; S442-L445 PolarHBondContact O-N 3.03Å; S442-L445 VanDerWaalsContact O-N 3.11Å; E443-L445 PolarHBondContact O-N 3.43Å; E443-L445 VanDerWaalsContact O-N 3.13Å; L445-E447 PolarHBondContact O-N 3.26Å; L445-Y448 HydrophobicContact CD1-CD1 3.76Å; L445-Y448 HydrophobicContact CD1-CG 4.16Å; L445-Y448 PolarHBondContact O-N 2.74Å; L445-R449 VanDerWaalsContact C-NH1 3.32Å; L445-R449 HydrophobicContact CG-CG 4.31Å; L445-R449 PolarHBondContact O-N 3.31Å
446	E	93.5	Very high	93.1	Very high	85 Å²	85	48.2 Å²	48.2	40%	0.397	23%	0.232	S	C	.	.	H	α-helix	trans	-55.8	-45.8	179.1	-73.4	177.1	-175.2	0	0	113.2	S442 E443 Y448 R449 E450	S442-E446 PolarHBondContact O-N 2.91Å; E443-E446 WeakPolarHBondContact O-CB 3.39Å; E443-E446 WeakPolarHBondContact O-CG 3.32Å; E443-E446 PolarHBondContact O-N 3.24Å; E443-E446 VanDerWaalsContact O-N 3.16Å; E446-Y448 PolarHBondContact O-N 3.04Å; E446-R449 VanDerWaalsContact CG-NH2 3.33Å; E446-R449 PolarHBondContact O-N 3.31Å; E446-E450 PolarHBondContact O-N 2.89Å
447	E	93.7	Very high	92.8	Very high	91 Å²	91	50.2 Å²	50.2	43%	0.425	25%	0.247	S	C	.	.	H	α-helix	trans	-57.9	-39.1	-179.2	-171.3	-172.1	-165.5	0	0	111.6	A307 R310 L445 A451	A307-E447 HydrophobicContact CB-CG 4.08Å; R310-E447 IonicContact CZ-OE1 2.75Å; R310-E447 VanDerWaalsContact CZ-OE1 3.26Å; R310-E447 IonicContact CZ-OE2 3.4Å; R310-E447 VanDerWaalsContact NE-CD 3.34Å; R310-E447 IonicContact NE-OE1 2.61Å; R310-E447 PolarHBondContact NE-OE1 2.79Å; R310-E447 VanDerWaalsContact NE-OE1 3.08Å; R310-E447 IonicContact NE-OE2 3.3Å; R310-E447 PolarHBondContact NE-OE2 2.89Å; R310-E447 IonicContact NH2-OE1 2.73Å; R310-E447 PolarHBondContact NH2-OE1 2.77Å; R310-E447 IonicContact NH2-OE2 3.49Å; L445-E447 PolarHBondContact O-N 3.26Å; E447-A451 VanDerWaalsContact O-CB 3.28Å; E447-A451 WeakPolarHBondContact O-CB 3.33Å; E447-A451 PolarHBondContact O-N 2.74Å
448	Y	94.6	Very high	92.4	Very high	10 Å²	10	51.7 Å²	51.7	4%	0.039	26%	0.255	C	S	.	.	H	α-helix	trans	-70.8	-42.9	176.3	173.7	-95.9	0	0	0	111.6	L288 F308 W431 L445 E446 E450 A451 E452	L288-Y448 HydrophobicContact CD2-CE2 3.57Å; L288-Y448 WeakPolarHBondContact CD2-OH 3.46Å; F308-Y448 HydrophobicContact CB-CD2 3.66Å; F308-Y448 HydrophobicContact CB-CE2 3.83Å; F308-Y448 HydrophobicContact CD2-CD2 4.07Å; F308-Y448 HydrophobicContact CD2-CE2 4.01Å; F308-Y448 HydrophobicContact CG-CD2 4.35Å; F308-Y448 HydrophobicContact CG-CE2 4.28Å; W431-Y448 HydrophobicContact CH2-CD1 4.2Å; W431-Y448 HydrophobicContact CH2-CE1 4.01Å; W431-Y448 HydrophobicContact CZ2-CE1 4.36Å; L445-Y448 HydrophobicContact CD1-CD1 3.76Å; L445-Y448 HydrophobicContact CD1-CG 4.16Å; L445-Y448 PolarHBondContact O-N 2.74Å; E446-Y448 PolarHBondContact O-N 3.04Å; Y448-E450 PolarHBondContact O-N 3.3Å; Y448-A451 PolarHBondContact O-N 2.88Å; Y448-E452 HydrophobicContact CE1-CB 4.34Å; Y448-E452 WeakPolarHBondContact CE1-OE2 3.48Å; Y448-E452 VanDerWaalsContact CZ-OE2 3.22Å; Y448-E452 WeakPolarHBondContact O-CB 3.45Å; Y448-E452 PolarHBondContact O-N 3.15Å; Y448-E452 PolarHBondContact OH-OE1 3.38Å; Y448-E452 VanDerWaalsContact OH-OE1 3.09Å; Y448-E452 PolarHBondContact OH-OE2 2.9Å
449	R	93.7	Very high	92.2	Very high	34 Å²	34	53.1 Å²	53.1	13%	0.128	26%	0.264	C	S	.	.	H	α-helix	trans	-63.1	-38.2	176.8	-66.2	-164.9	-64.1	-77.2	0	112.5	S442 L445 E446 L453 G454 L455 D458	S442-R449 PolarHBondContact O-NH1 2.91Å; S442-R449 PolarHBondContact O-NH2 2.85Å; S442-R449 PolarHBondContact OG-NH2 3.42Å; L445-R449 VanDerWaalsContact C-NH1 3.32Å; L445-R449 HydrophobicContact CG-CG 4.31Å; L445-R449 PolarHBondContact O-N 3.31Å; E446-R449 VanDerWaalsContact CG-NH2 3.33Å; E446-R449 PolarHBondContact O-N 3.31Å; R449-L453 PolarHBondContact O-N 3.04Å; R449-G454 PolarHBondContact O-N 3.22Å; R449-L455 HydrophobicContact CB-CB 4.38Å; R449-D458 IonicContact CZ-OD1 2.69Å; R449-D458 IonicContact CZ-OD2 3.58Å; R449-D458 IonicContact NE-OD1 3.12Å; R449-D458 PolarHBondContact NE-OD1 2.88Å; R449-D458 IonicContact NH2-OD1 3.58Å; R449-D458 PolarHBondContact NH2-OD1 3.21Å; R449-D458 IonicContact NH2-OD2 3.27Å; R449-D458 PolarHBondContact NH2-OD2 2.94Å
450	E	93.6	Very high	92.2	Very high	72 Å²	72	52.1 Å²	52.1	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-69.7	-39.2	174.1	-170.8	-179.3	-175.6	0	0	111.6	E446 Y448 G454 L455 K456	E446-E450 PolarHBondContact O-N 2.89Å; Y448-E450 PolarHBondContact O-N 3.3Å; E450-G454 VanDerWaalsContact O-CA 3.25Å; E450-G454 WeakPolarHBondContact O-CA 3.5Å; E450-G454 PolarHBondContact O-N 2.84Å; E450-G454 VanDerWaalsContact O-N 3.1Å; E450-L455 VanDerWaalsContact CA-O 3.31Å; E450-L455 WeakPolarHBondContact CA-O 3.45Å; E450-L455 WeakPolarHBondContact CB-O 3.42Å; E450-L455 PolarHBondContact N-O 3.19Å; E450-K456 HydrophobicContact CG-CG 4.36Å; E450-K456 WeakPolarHBondContact OE1-CE 3.42Å; E450-K456 IonicContact OE1-NZ 3.94Å
451	A	93	Very high	92.3	Very high	6 Å²	6	49.3 Å²	49.3	5%	0.05	25%	0.247	C	C	.	.	H	α-helix	trans	-66.1	-39	175.5	0	0	0	0	0	112.4	K303 K304 A307 E447 Y448	K303-A451 HydrophobicContact CG-CB 4.31Å; K304-A451 WeakPolarHBondContact CE-O 3.41Å; K304-A451 HydrophobicContact CG-CB 4.34Å; K304-A451 WeakPolarHBondContact CG-O 3.42Å; A307-A451 HydrophobicContact CB-CB 4.02Å; E447-A451 VanDerWaalsContact O-CB 3.28Å; E447-A451 WeakPolarHBondContact O-CB 3.33Å; E447-A451 PolarHBondContact O-N 2.74Å; Y448-A451 PolarHBondContact O-N 2.88Å
452	E	92.3	Very high	92.4	Very high	29 Å²	29	50.5 Å²	50.5	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-80.2	-53.5	-176.5	-174.3	164.8	-134	0	0	113.3	Y292 K304 Y448	Y292-E452 WeakPolarHBondContact CE2-OE1 3.48Å; Y292-E452 PolarHBondContact OH-OE1 2.04Å; K304-E452 HydrophobicContact CD-CB 4.34Å; K304-E452 HydrophobicContact CD-CG 4.31Å; K304-E452 WeakPolarHBondContact CE-O 3.34Å; K304-E452 PolarHBondContact NZ-O 2.93Å; Y448-E452 HydrophobicContact CE1-CB 4.34Å; Y448-E452 WeakPolarHBondContact CE1-OE2 3.48Å; Y448-E452 VanDerWaalsContact CZ-OE2 3.22Å; Y448-E452 WeakPolarHBondContact O-CB 3.45Å; Y448-E452 PolarHBondContact O-N 3.15Å; Y448-E452 PolarHBondContact OH-OE1 3.38Å; Y448-E452 VanDerWaalsContact OH-OE1 3.09Å; Y448-E452 PolarHBondContact OH-OE2 2.9Å
453	L	92.7	Very high	92.6	Very high	39 Å²	39	49.2 Å²	49.2	20%	0.204	24%	0.241	C	C	.	.	H	α-helix	trans	-119.5	-8.8	-169.2	-59.1	-179.9	0	0	0	113.7	N154 R449 L455 Q751 N755	N154-L453 HydrophobicContact CB-CB 4.18Å; R449-L453 PolarHBondContact O-N 3.04Å; L453-L455 VanDerWaalsContact C-N 3.29Å; L453-L455 HydrophobicContact CB-CD1 4.26Å; L453-L455 HydrophobicContact CB-CG 4.12Å; L453-L455 HydrophobicContact CD1-CD1 4.07Å; L453-Q751 VanDerWaalsContact C-CB 3.48Å; L453-N755 HydrophobicContact CD2-CB 4.2Å
454	G	93.4	Very high	92.7	Very high	6 Å²	6	47 Å²	47	6%	0.062	23%	0.231	C	C	.	.			trans	80.8	5.6	-175.5	0	0	0	0	0	114.6	R449 E450 K456 L749	R449-G454 PolarHBondContact O-N 3.22Å; E450-G454 VanDerWaalsContact O-CA 3.25Å; E450-G454 WeakPolarHBondContact O-CA 3.5Å; E450-G454 PolarHBondContact O-N 2.84Å; E450-G454 VanDerWaalsContact O-N 3.1Å; G454-K456 PolarHBondContact O-N 2.98Å; G454-L749 WeakPolarHBondContact O-CD1 3.1Å
455	L	91.6	Very high	92.9	Very high	23 Å²	23	43.9 Å²	43.9	12%	0.12	22%	0.216	C	C	.	.			trans	-67.6	124.6	177.5	-68.6	173.9	0	0	0	110.5	N154 R449 E450 L453	N154-L455 HydrophobicContact CB-CD2 3.95Å; N154-L455 HydrophobicContact CB-CG 4.16Å; R449-L455 HydrophobicContact CB-CB 4.38Å; E450-L455 VanDerWaalsContact CA-O 3.31Å; E450-L455 WeakPolarHBondContact CA-O 3.45Å; E450-L455 WeakPolarHBondContact CB-O 3.42Å; E450-L455 PolarHBondContact N-O 3.19Å; L453-L455 VanDerWaalsContact C-N 3.29Å; L453-L455 HydrophobicContact CB-CD1 4.26Å; L453-L455 HydrophobicContact CB-CG 4.12Å; L453-L455 HydrophobicContact CD1-CD1 4.07Å
456	K	86.4	Confident	93.1	Very high	151 Å²	151	43.1 Å²	43.1	66%	0.657	21%	0.212	S	C	*	.	S	Bend	trans	-103.7	-14.9	176.9	-64.4	-169.1	174.7	-156	0	114.4	E450 G454	E450-K456 HydrophobicContact CG-CG 4.36Å; E450-K456 WeakPolarHBondContact OE1-CE 3.42Å; E450-K456 IonicContact OE1-NZ 3.94Å; G454-K456 PolarHBondContact O-N 2.98Å
457	V	87.6	Confident	93.2	Very high	69 Å²	69	42.8 Å²	42.8	42%	0.418	21%	0.213	S	C	.	.	S	Bend	trans	-145	147.8	177	-167.4	0	0	0	0	106.5	Q151 G152	Q151-V457 HydrophobicContact CG-CB 4.08Å; Q151-V457 HydrophobicContact CG-CG1 4.38Å; Q151-V457 HydrophobicContact CG-CG2 4.44Å; G152-V457 WeakPolarHBondContact CA-O 3.42Å
458	D	86.5	Confident	93.3	Very high	43 Å²	43	40 Å²	40	23%	0.23	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-70.8	159.9	177.1	-67.6	-18.6	0	0	0	112.1	G152 S442 R449	G152-D458 WeakPolarHBondContact CA-O 3.43Å; S442-D458 PolarHBondContact OG-OD2 3.45Å; R449-D458 IonicContact CZ-OD1 2.69Å; R449-D458 IonicContact CZ-OD2 3.58Å; R449-D458 IonicContact NE-OD1 3.12Å; R449-D458 PolarHBondContact NE-OD1 2.88Å; R449-D458 IonicContact NH2-OD1 3.58Å; R449-D458 PolarHBondContact NH2-OD1 3.21Å; R449-D458 IonicContact NH2-OD2 3.27Å; R449-D458 PolarHBondContact NH2-OD2 2.94Å
459	P	90.6	Very high	93.4	Very high	39 Å²	39	39.5 Å²	39.5	25%	0.253	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-56.3	155.4	163.7	-17.7	29.2	0	0	0	111.5	R461 Q463 I464	P459-R461 PolarHBondContact O-N 2.82Å; P459-Q463 HydrophobicContact CB-CB 4.04Å; P459-I464 HydrophobicContact CB-CG1 4.27Å; P459-I464 HydrophobicContact CG-CG1 4.49Å
460	D	93.8	Very high	93.4	Very high	94 Å²	94	39.1 Å²	39.1	50%	0.503	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-53.1	142.6	170.1	-67.5	-21.4	0	0	0	110.2	W462 Q463 I464	D460-W462 HydrophobicContact CB-CG 4.27Å; D460-W462 VanDerWaalsContact CB-NE1 3.3Å; D460-W462 PolarHBondContact O-N 3.25Å; D460-W462 PolarHBondContact OD2-NE1 2.88Å; D460-Q463 HydrophobicContact CB-CG 4.36Å; D460-Q463 WeakPolarHBondContact O-CB 3.37Å; D460-Q463 PolarHBondContact O-N 3.4Å; D460-I464 PolarHBondContact O-N 3.29Å
461	R	95.3	Very high	93.3	Very high	40 Å²	40	43.2 Å²	43.2	15%	0.151	22%	0.215	C	C	.	.	H	α-helix	trans	-50.4	-40.5	-176.4	-174.9	62.9	-176.5	179.8	7.3	113.3	C196 M197 E199 P459 Q463 I464 C465	C196-R461 VanDerWaalsContact O-CZ 3.25Å; C196-R461 PolarHBondContact O-NE 2.96Å; C196-R461 PolarHBondContact O-NH2 3.32Å; M197-R461 HydrophobicContact SD-CG 4.21Å; E199-R461 HydrophobicContact CG-CG 3.82Å; E199-R461 WeakPolarHBondContact OE1-CD 3.38Å; P459-R461 PolarHBondContact O-N 2.82Å; R461-Q463 VanDerWaalsContact C-N 3.27Å; R461-Q463 PolarHBondContact O-N 3.32Å; R461-I464 WeakPolarHBondContact O-CB 3.4Å; R461-I464 PolarHBondContact O-N 3.42Å; R461-C465 PolarHBondContact O-N 3.35Å; R461-C465 PolarHBondContact O-SG 3.44Å
462	W	97	Very high	93.4	Very high	26 Å²	26	43.5 Å²	43.5	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-32.1	178.7	74.8	-97.3	0	0	0	113.5	E167 Y168 K171 M197 D460 C465 V466	E167-W462 HydrophobicContact CB-CH2 4.38Å; E167-W462 HydrophobicContact CB-CZ3 4.12Å; Y168-W462 AromaticContact CD1-CH2 3.45Å; Y168-W462 HydrophobicContact CD1-CH2 3.45Å; Y168-W462 VanDerWaalsContact CD1-CH2 3.45Å; Y168-W462 AromaticContact CD1-CZ2 3.96Å; Y168-W462 HydrophobicContact CD1-CZ2 3.96Å; Y168-W462 HydrophobicContact CD1-CZ3 4.29Å; Y168-W462 AromaticContact CE1-CH2 3.4Å; Y168-W462 HydrophobicContact CE1-CH2 3.4Å; Y168-W462 VanDerWaalsContact CE1-CH2 3.4Å; Y168-W462 AromaticContact CE1-CZ2 3.44Å; Y168-W462 HydrophobicContact CE1-CZ2 3.44Å; Y168-W462 VanDerWaalsContact CE1-CZ2 3.44Å; Y168-W462 HydrophobicContact CG-CH2 4.27Å; K171-W462 HydrophobicContact CB-CE3 3.96Å; K171-W462 HydrophobicContact CB-CZ3 4.02Å; K171-W462 HydrophobicContact CD-CB 4.45Å; K171-W462 HydrophobicContact CD-CD2 3.67Å; K171-W462 HydrophobicContact CD-CE3 3.57Å; K171-W462 HydrophobicContact CD-CG 4.08Å; K171-W462 HydrophobicContact CD-CH2 4.38Å; K171-W462 HydrophobicContact CD-CZ3 3.94Å; K171-W462 HydrophobicContact CG-CD2 4.39Å; K171-W462 HydrophobicContact CG-CE3 3.94Å; K171-W462 HydrophobicContact CG-CZ3 4.4Å; M197-W462 HydrophobicContact CE-CB 3.94Å; M197-W462 WeakPolarHBondContact SD-CA 3.46Å; M197-W462 HydrophobicContact SD-CB 3.82Å; D460-W462 HydrophobicContact CB-CG 4.27Å; D460-W462 VanDerWaalsContact CB-NE1 3.3Å; D460-W462 PolarHBondContact O-N 3.25Å; D460-W462 PolarHBondContact OD2-NE1 2.88Å; W462-C465 PolarHBondContact O-N 3.05Å; W462-V466 HydrophobicContact CE3-CG2 3.97Å; W462-V466 HydrophobicContact CZ3-CG2 4.28Å; W462-V466 WeakPolarHBondContact O-CB 3.36Å; W462-V466 WeakPolarHBondContact O-CG2 3.21Å; W462-V466 PolarHBondContact O-N 2.59Å
463	Q	95.6	Very high	93.5	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.037	21%	0.21	C	C	.	.	H	α-helix	trans	-69.5	-42.7	176.4	-63.2	-170.2	-107.7	0	0	111.4	H153 E167 P459 D460 R461 C465 V466 N467	H153-Q463 PolarHBondContact CE1-NE2 2.73Å; H153-Q463 VanDerWaalsContact CE1-NE2 3.31Å; H153-Q463 PolarHBondContact CE1-OE1 3.14Å; H153-Q463 PolarHBondContact NE2-NE2 3.3Å; H153-Q463 VanDerWaalsContact NE2-NE2 3.15Å; E167-Q463 PolarHBondContact OE2-NE2 2.94Å; P459-Q463 HydrophobicContact CB-CB 4.04Å; D460-Q463 HydrophobicContact CB-CG 4.36Å; D460-Q463 WeakPolarHBondContact O-CB 3.37Å; D460-Q463 PolarHBondContact O-N 3.4Å; R461-Q463 VanDerWaalsContact C-N 3.27Å; R461-Q463 PolarHBondContact O-N 3.32Å; Q463-C465 VanDerWaalsContact C-N 3.26Å; Q463-C465 PolarHBondContact O-N 2.98Å; Q463-V466 PolarHBondContact O-N 2.61Å; Q463-N467 WeakPolarHBondContact O-CB 3.49Å; Q463-N467 PolarHBondContact O-N 3.25Å; Q463-N467 PolarHBondContact O-ND2 3.18Å
464	I	95.1	Very high	93.7	Very high	41 Å²	41	40.4 Å²	40.4	21%	0.21	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-45	175.2	-56.5	175.3	0	0	0	108.9	P459 D460 R461 N467 E468	P459-I464 HydrophobicContact CB-CG1 4.27Å; P459-I464 HydrophobicContact CG-CG1 4.49Å; D460-I464 PolarHBondContact O-N 3.29Å; R461-I464 WeakPolarHBondContact O-CB 3.4Å; R461-I464 PolarHBondContact O-N 3.42Å; I464-N467 PolarHBondContact O-N 3.35Å; I464-E468 PolarHBondContact O-N 2.95Å
465	C	97.9	Very high	93.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.4	-37.8	-179.9	-58.5	0	0	0	0	114.1	Y193 C196 M197 R461 W462 Q463 V469	Y193-C465 HydrophobicContact CD2-CB 3.77Å; Y193-C465 HydrophobicContact CE2-CB 3.73Å; C196-C465 HydrophobicContact CB-CB 3.62Å; C196-C465 WeakPolarHBondContact CB-SG 3.49Å; C196-C465 PolarHBondContact O-SG 2.99Å; C196-C465 WeakPolarHBondContact SG-CA 3.47Å; C196-C465 WeakPolarHBondContact SG-CB 3.4Å; C196-C465 CovalentContact SG-SG 2.04Å; C196-C465 PolarHBondContact SG-SG 2.82Å; M197-C465 HydrophobicContact CG-CB 4.27Å; M197-C465 HydrophobicContact SD-CB 4.1Å; R461-C465 PolarHBondContact O-N 3.35Å; R461-C465 PolarHBondContact O-SG 3.44Å; W462-C465 PolarHBondContact O-N 3.05Å; Q463-C465 VanDerWaalsContact C-N 3.26Å; Q463-C465 PolarHBondContact O-N 2.98Å; C465-V469 WeakPolarHBondContact O-CB 3.35Å; C465-V469 WeakPolarHBondContact O-CG2 3.43Å; C465-V469 PolarHBondContact O-N 3.14Å
466	V	97.5	Very high	93.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-47.8	171	161	0	0	0	0	110.3	E167 T170 K171 Y193 W462 Q463 V469 Q470	E167-V466 HydrophobicContact CB-CG1 4.32Å; E167-V466 HydrophobicContact CG-CG1 4.31Å; T170-V466 HydrophobicContact CG2-CB 4.48Å; T170-V466 HydrophobicContact CG2-CG1 3.83Å; T170-V466 HydrophobicContact CG2-CG2 4.17Å; K171-V466 HydrophobicContact CB-CG2 4.13Å; Y193-V466 HydrophobicContact CE2-CG2 4.05Å; W462-V466 HydrophobicContact CE3-CG2 3.97Å; W462-V466 HydrophobicContact CZ3-CG2 4.28Å; W462-V466 WeakPolarHBondContact O-CB 3.36Å; W462-V466 WeakPolarHBondContact O-CG2 3.21Å; W462-V466 PolarHBondContact O-N 2.59Å; Q463-V466 PolarHBondContact O-N 2.61Å; V466-V469 PolarHBondContact O-N 3.03Å; V466-Q470 HydrophobicContact CG1-CG 4.34Å; V466-Q470 WeakPolarHBondContact O-CB 3.47Å; V466-Q470 VanDerWaalsContact O-CG 3.31Å; V466-Q470 WeakPolarHBondContact O-CG 3.47Å; V466-Q470 PolarHBondContact O-N 3.32Å
467	N	94.7	Very high	94.4	Very high	77 Å²	77	34.8 Å²	34.8	41%	0.412	18%	0.176	S	C	.	.	H	α-helix	trans	-64.9	-42.3	-179	-68.3	-12.2	0	0	0	112.5	Q463 I464 V469 Q470	Q463-N467 WeakPolarHBondContact O-CB 3.49Å; Q463-N467 PolarHBondContact O-N 3.25Å; Q463-N467 PolarHBondContact O-ND2 3.18Å; I464-N467 PolarHBondContact O-N 3.35Å; N467-V469 VanDerWaalsContact C-N 3.33Å; N467-V469 PolarHBondContact O-N 2.94Å; N467-Q470 PolarHBondContact O-N 3.43Å
468	E	95.9	Very high	94.8	Very high	32 Å²	32	31.5 Å²	31.5	15%	0.15	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-35.5	175.9	-77.2	-93.7	176.8	0	0	111.9	Y192 S435 R436 I464 P472 Y561	Y192-E468 HydrophobicContact CE1-CB 4.13Å; Y192-E468 WeakPolarHBondContact CE1-O 3.48Å; Y192-E468 PolarHBondContact OH-OE2 2.95Å; S435-E468 PolarHBondContact OG-OE1 3.19Å; S435-E468 VanDerWaalsContact OG-OE1 3.04Å; R436-E468 IonicContact CZ-OE1 2.71Å; R436-E468 IonicContact CZ-OE2 3.65Å; R436-E468 IonicContact NE-OE1 2.74Å; R436-E468 PolarHBondContact NE-OE1 2.03Å; R436-E468 IonicContact NE-OE2 3.97Å; R436-E468 PolarHBondContact NE-OE2 3.21Å; R436-E468 IonicContact NH2-OE1 3.52Å; R436-E468 IonicContact NH2-OE2 3.58Å; R436-E468 PolarHBondContact NH2-OE2 2.83Å; I464-E468 PolarHBondContact O-N 2.95Å; E468-P472 WeakPolarHBondContact O-CD 3.31Å; E468-Y561 WeakPolarHBondContact CG-OH 3.43Å
469	V	97.3	Very high	95.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-76.5	-34.1	179.2	175.2	0	0	0	0	112.3	L174 A189 Y192 Y193 C465 V466 N467 F471 P472 F473 I477	L174-V469 HydrophobicContact CD1-CB 4.34Å; L174-V469 HydrophobicContact CD1-CG1 3.84Å; L174-V469 HydrophobicContact CD2-CG1 4.3Å; A189-V469 HydrophobicContact CB-CG1 3.93Å; Y192-V469 HydrophobicContact CD1-CB 4.43Å; Y192-V469 HydrophobicContact CD1-CG2 3.72Å; Y192-V469 HydrophobicContact CE1-CG2 4.41Å; Y192-V469 HydrophobicContact CG-CG2 4.29Å; Y193-V469 HydrophobicContact CD2-CG2 4.35Å; C465-V469 WeakPolarHBondContact O-CB 3.35Å; C465-V469 WeakPolarHBondContact O-CG2 3.43Å; C465-V469 PolarHBondContact O-N 3.14Å; V466-V469 PolarHBondContact O-N 3.03Å; N467-V469 VanDerWaalsContact C-N 3.33Å; N467-V469 PolarHBondContact O-N 2.94Å; V469-F471 PolarHBondContact O-N 2.93Å; V469-P472 WeakPolarHBondContact O-CD 3.46Å; V469-F473 HydrophobicContact CG1-CB 4.32Å; V469-F473 HydrophobicContact CG1-CD2 3.98Å; V469-F473 WeakPolarHBondContact O-CB 3.32Å; V469-F473 PolarHBondContact O-N 2.87Å; V469-I477 HydrophobicContact CG1-CD1 4.16Å
470	Q	94.1	Very high	95.5	Very high	27 Å²	27	28.8 Å²	28.8	13%	0.126	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-26.1	178.4	-80	-178.5	-4.1	0	0	113.7	T170 V466 N467 G474 I477 H593	T170-Q470 HydrophobicContact CG2-CG 4.28Å; T170-Q470 PolarHBondContact OG1-NE2 2.97Å; T170-Q470 VanDerWaalsContact OG1-NE2 3.14Å; V466-Q470 HydrophobicContact CG1-CG 4.34Å; V466-Q470 WeakPolarHBondContact O-CB 3.47Å; V466-Q470 VanDerWaalsContact O-CG 3.31Å; V466-Q470 WeakPolarHBondContact O-CG 3.47Å; V466-Q470 PolarHBondContact O-N 3.32Å; N467-Q470 PolarHBondContact O-N 3.43Å; Q470-G474 WeakPolarHBondContact O-CA 3.46Å; Q470-G474 PolarHBondContact O-N 3.18Å; Q470-I477 HydrophobicContact CG-CD1 3.86Å; Q470-H593 PolarHBondContact NE2-NE2 2.88Å; Q470-H593 VanDerWaalsContact NE2-NE2 3.19Å
471	F	91.2	Very high	95.6	Very high	157 Å²	157	24.4 Å²	24.4	69%	0.689	11%	0.114	S	C	*	.	H	α-helix	trans	-69.4	-54.8	-179.6	-173.3	-117.2	0	0	0	113	V469 L572	V469-F471 PolarHBondContact O-N 2.93Å; F471-L572 HydrophobicContact CD1-CD1 3.28Å; F471-L572 HydrophobicContact CE1-CD1 3.3Å; F471-L572 HydrophobicContact CG-CD1 4.07Å; F471-L572 HydrophobicContact CZ-CD1 4.09Å
472	P	94	Very high	95.5	Very high	13 Å²	13	23.1 Å²	23.1	8%	0.084	11%	0.111	C	C	.	.	H	α-helix	trans	-79.7	-28	173.8	28.1	-32.9	0	0	0	115.6	Y192 E468 V469 F553 C568 L572	Y192-P472 HydrophobicContact CD1-CG 4.3Å; Y192-P472 HydrophobicContact CE1-CG 4.26Å; E468-P472 WeakPolarHBondContact O-CD 3.31Å; V469-P472 WeakPolarHBondContact O-CD 3.46Å; P472-F553 HydrophobicContact CB-CE1 4.1Å; P472-F553 HydrophobicContact CB-CZ 4.13Å; P472-C568 HydrophobicContact CB-CB 4.1Å; P472-C568 HydrophobicContact CG-CB 4.05Å; P472-L572 HydrophobicContact CB-CD1 3.93Å; P472-L572 HydrophobicContact CB-CG 4.25Å
473	F	96.1	Very high	95.4	Very high	1 Å²	1	29 Å²	29	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-118.2	14.5	-170.8	-53.2	-68.4	0	0	0	113.9	L188 A189 Y192 V469 M475 V476 I477 F550 F553 L556	L188-F473 HydrophobicContact CB-CD1 4.45Å; L188-F473 HydrophobicContact CB-CE1 3.53Å; L188-F473 HydrophobicContact CB-CE2 4.49Å; L188-F473 HydrophobicContact CB-CZ 3.57Å; L188-F473 HydrophobicContact CD1-CE1 4.21Å; A189-F473 HydrophobicContact CB-CB 3.66Å; A189-F473 HydrophobicContact CB-CD1 4.24Å; A189-F473 HydrophobicContact CB-CD2 3.78Å; A189-F473 HydrophobicContact CB-CG 3.61Å; Y192-F473 HydrophobicContact CD1-CD2 4.46Å; Y192-F473 HydrophobicContact CD1-CE2 4.01Å; Y192-F473 HydrophobicContact CG-CE2 4.38Å; V469-F473 HydrophobicContact CG1-CB 4.32Å; V469-F473 HydrophobicContact CG1-CD2 3.98Å; V469-F473 WeakPolarHBondContact O-CB 3.32Å; V469-F473 PolarHBondContact O-N 2.87Å; F473-M475 VanDerWaalsContact C-N 3.34Å; F473-M475 PolarHBondContact O-N 3.36Å; F473-V476 WeakPolarHBondContact O-CB 3.39Å; F473-V476 PolarHBondContact O-N 3.45Å; F473-I477 PolarHBondContact O-N 2.97Å; F473-I477 VanDerWaalsContact O-N 3.1Å; F473-F550 HydrophobicContact CD1-CD1 4.15Å; F473-F550 AromaticContact CD1-CE1 3.46Å; F473-F550 HydrophobicContact CD1-CE1 3.46Å; F473-F550 VanDerWaalsContact CD1-CE1 3.46Å; F473-F550 AromaticContact CD1-CZ 3.96Å; F473-F550 HydrophobicContact CD1-CZ 3.96Å; F473-F550 AromaticContact CE1-CD1 3.86Å; F473-F550 HydrophobicContact CE1-CD1 3.86Å; F473-F550 AromaticContact CE1-CE1 3.61Å; F473-F550 HydrophobicContact CE1-CE1 3.61Å; F473-F550 HydrophobicContact CE1-CZ 4.49Å; F473-F553 HydrophobicContact CE1-CD1 4.23Å; F473-F553 AromaticContact CE1-CE1 3.89Å; F473-F553 HydrophobicContact CE1-CE1 3.89Å; F473-F553 HydrophobicContact CE1-CZ 4.43Å; F473-F553 HydrophobicContact CZ-CD1 4.14Å; F473-F553 AromaticContact CZ-CE1 3.81Å; F473-F553 HydrophobicContact CZ-CE1 3.81Å; F473-L556 HydrophobicContact CZ-CD1 4.27Å
474	G	95	Very high	95.3	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-58.5	-38.1	-174.5	0	0	0	0	0	114.4	Q470 V476 I477 G478 H593	Q470-G474 WeakPolarHBondContact O-CA 3.46Å; Q470-G474 PolarHBondContact O-N 3.18Å; G474-V476 VanDerWaalsContact C-N 3.31Å; G474-V476 PolarHBondContact O-N 3.14Å; G474-I477 PolarHBondContact O-N 3.13Å; G474-G478 PolarHBondContact O-N 3.3Å; G474-H593 PolarHBondContact O-CE1 3.09Å; G474-H593 PolarHBondContact O-ND1 3.36Å
475	M	93.9	Very high	95.1	Very high	58 Å²	58	36.7 Å²	36.7	29%	0.286	17%	0.169	S	C	.	.	H	α-helix	trans	-66.8	-31.5	176	-78.7	-59.9	-66.7	0	0	113.2	F473 G478 R479 P537 I540 L590 V592	F473-M475 VanDerWaalsContact C-N 3.34Å; F473-M475 PolarHBondContact O-N 3.36Å; M475-G478 PolarHBondContact O-N 3.05Å; M475-R479 PolarHBondContact O-N 2.78Å; M475-P537 HydrophobicContact CE-CG 3.93Å; M475-I540 HydrophobicContact CE-CD1 4.43Å; M475-L590 VanDerWaalsContact SD-O 3.4Å; M475-V592 HydrophobicContact CE-CG1 4.12Å; M475-V592 HydrophobicContact SD-CG1 3.95Å
476	V	95.7	Very high	94.8	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-67.7	-50.7	174.9	-173.2	0	0	0	0	109.6	F186 F473 G474 G478 R479 H480 E546 F550	F186-V476 HydrophobicContact CB-CG1 3.98Å; F186-V476 HydrophobicContact CD2-CG1 4.29Å; F473-V476 WeakPolarHBondContact O-CB 3.39Å; F473-V476 PolarHBondContact O-N 3.45Å; G474-V476 VanDerWaalsContact C-N 3.31Å; G474-V476 PolarHBondContact O-N 3.14Å; V476-G478 PolarHBondContact O-N 3.36Å; V476-R479 WeakPolarHBondContact O-CB 3.46Å; V476-R479 PolarHBondContact O-N 2.74Å; V476-R479 VanDerWaalsContact O-N 3.09Å; V476-H480 PolarHBondContact O-CD2 2.73Å; V476-H480 VanDerWaalsContact O-CD2 3.26Å; V476-H480 PolarHBondContact O-N 3.32Å; V476-E546 HydrophobicContact CG2-CG 4.2Å; V476-F550 HydrophobicContact CG2-CE2 3.54Å; V476-F550 HydrophobicContact CG2-CZ 3.52Å
477	I	96.7	Very high	94.2	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-56	-42.9	174.5	-65	158.6	0	0	0	110.2	F169 T170 L173 V469 Q470 F473 G474 R479 H480 F481	F169-I477 HydrophobicContact CE1-CG2 4.42Å; T170-I477 HydrophobicContact CG2-CD1 3.64Å; T170-I477 HydrophobicContact CG2-CG1 4.12Å; T170-I477 HydrophobicContact CG2-CG2 3.97Å; L173-I477 HydrophobicContact CD2-CG2 4.48Å; V469-I477 HydrophobicContact CG1-CD1 4.16Å; Q470-I477 HydrophobicContact CG-CD1 3.86Å; F473-I477 PolarHBondContact O-N 2.97Å; F473-I477 VanDerWaalsContact O-N 3.1Å; G474-I477 PolarHBondContact O-N 3.13Å; I477-R479 VanDerWaalsContact C-N 3.34Å; I477-R479 PolarHBondContact O-N 2.79Å; I477-H480 PolarHBondContact O-N 3.24Å; I477-F481 WeakPolarHBondContact O-CB 3.21Å; I477-F481 PolarHBondContact O-N 3.24Å
478	G	96	Very high	93.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-36.2	176.8	0	0	0	0	0	114.4	G474 M475 V476 F481 V482 V592	G474-G478 PolarHBondContact O-N 3.3Å; M475-G478 PolarHBondContact O-N 3.05Å; V476-G478 PolarHBondContact O-N 3.36Å; G478-F481 PolarHBondContact O-N 3.37Å; G478-V482 WeakPolarHBondContact O-CB 3Å; G478-V482 VanDerWaalsContact O-CG2 3.32Å; G478-V482 WeakPolarHBondContact O-CG2 3.39Å; G478-V482 PolarHBondContact O-N 3.44Å; G478-V592 VanDerWaalsContact C-CG2 3.49Å; G478-V592 VanDerWaalsContact CA-CG2 3.41Å; G478-V592 WeakPolarHBondContact O-CG2 3.32Å
479	R	95.7	Very high	93.3	Very high	18 Å²	18	47 Å²	47	7%	0.068	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-48.2	173.5	177.4	176	53.9	84.4	-14.5	111.6	D181 S183 M475 V476 I477 V482 H483 I540 E546	D181-R479 IonicContact OD1-NH2 2.79Å; D181-R479 IonicContact OD2-CZ 3.55Å; D181-R479 IonicContact OD2-NH1 3.16Å; D181-R479 PolarHBondContact OD2-NH1 2.96Å; D181-R479 IonicContact OD2-NH2 3.46Å; D181-R479 PolarHBondContact OD2-NH2 3.25Å; S183-R479 PolarHBondContact OG-NH2 3.44Å; M475-R479 PolarHBondContact O-N 2.78Å; V476-R479 WeakPolarHBondContact O-CB 3.46Å; V476-R479 PolarHBondContact O-N 2.74Å; V476-R479 VanDerWaalsContact O-N 3.09Å; I477-R479 VanDerWaalsContact C-N 3.34Å; I477-R479 PolarHBondContact O-N 2.79Å; R479-V482 PolarHBondContact O-N 2.64Å; R479-H483 PolarHBondContact O-N 3.05Å; R479-H483 VanDerWaalsContact O-N 3.1Å; R479-I540 HydrophobicContact CB-CD1 4.26Å; R479-I540 HydrophobicContact CB-CG1 3.9Å; R479-I540 VanDerWaalsContact CD-O 3.23Å; R479-I540 WeakPolarHBondContact CD-O 3.44Å; R479-I540 HydrophobicContact CG-CG1 4.3Å; R479-E546 IonicContact CZ-OE1 2.65Å; R479-E546 IonicContact CZ-OE2 3.48Å; R479-E546 IonicContact NE-OE1 3.73Å; R479-E546 IonicContact NE-OE2 2.7Å; R479-E546 PolarHBondContact NE-OE2 2.87Å; R479-E546 IonicContact NH2-OE1 2.68Å; R479-E546 PolarHBondContact NH2-OE1 2.97Å; R479-E546 IonicContact NH2-OE2 2.74Å; R479-E546 PolarHBondContact NH2-OE2 3.49Å
480	H	96.4	Very high	92.7	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.032	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-44.2	175.5	-68.6	-82.3	0	0	0	111.5	F169 L173 H179 D181 F186 V476 I477 V482 H483 E484	F169-H480 HydrophobicContact CE1-CB 4.28Å; F169-H480 HydrophobicContact CZ-CB 3.85Å; L173-H480 HydrophobicContact CD1-CB 3.98Å; L173-H480 HydrophobicContact CD2-CB 3.56Å; L173-H480 HydrophobicContact CG-CB 4.43Å; H179-H480 AromaticContact CE1-CE1 3.37Å; H179-H480 PolarHBondContact CE1-CE1 3.42Å; H179-H480 AromaticContact CE1-ND1 3.66Å; H179-H480 AromaticContact NE2-ND1 3.91Å; D181-H480 IonicContact OD2-CE1 3.66Å; D181-H480 PolarHBondContact OD2-CE1 3.4Å; D181-H480 IonicContact OD2-NE2 2.88Å; D181-H480 PolarHBondContact OD2-NE2 2.92Å; F186-H480 AromaticContact CD2-NE2 3.49Å; F186-H480 WeakPolarHBondContact CD2-NE2 3.36Å; F186-H480 AromaticContact CE2-NE2 3.89Å; V476-H480 PolarHBondContact O-CD2 2.73Å; V476-H480 VanDerWaalsContact O-CD2 3.26Å; V476-H480 PolarHBondContact O-N 3.32Å; I477-H480 PolarHBondContact O-N 3.24Å; H480-V482 VanDerWaalsContact C-N 3.32Å; H480-V482 PolarHBondContact O-N 3.1Å; H480-H483 PolarHBondContact O-N 3.47Å; H480-H483 VanDerWaalsContact O-N 3.13Å; H480-E484 IonicContact ND1-OE1 3.97Å; H480-E484 WeakPolarHBondContact O-CB 3.34Å; H480-E484 WeakPolarHBondContact O-CG 3.34Å; H480-E484 PolarHBondContact O-N 3.49Å
481	F	95.8	Very high	92.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-56.9	-45.3	177.4	-177.9	-93	0	0	0	112.1	D166 F169 I477 G478 H483 E484 R485 F486 H593 A610	D166-F481 WeakPolarHBondContact OD1-CE2 3Å; F169-F481 HydrophobicContact CD1-CB 4.11Å; F169-F481 AromaticContact CD1-CD2 3.71Å; F169-F481 HydrophobicContact CD1-CD2 3.71Å; F169-F481 HydrophobicContact CD1-CG 4.42Å; F169-F481 VanDerWaalsContact CE1-CA 3.48Å; F169-F481 HydrophobicContact CE1-CB 3.61Å; F169-F481 HydrophobicContact CE1-CD2 4.05Å; F169-F481 HydrophobicContact CE1-CG 4.35Å; F169-F481 HydrophobicContact CG-CD2 4.12Å; F169-F481 HydrophobicContact CZ-CB 4.22Å; I477-F481 WeakPolarHBondContact O-CB 3.21Å; I477-F481 PolarHBondContact O-N 3.24Å; G478-F481 PolarHBondContact O-N 3.37Å; F481-H483 VanDerWaalsContact C-N 3.34Å; F481-H483 PolarHBondContact O-N 2.88Å; F481-E484 PolarHBondContact O-N 3.13Å; F481-R485 HydrophobicContact CD2-CB 4Å; F481-R485 HydrophobicContact CD2-CG 4.13Å; F481-R485 HydrophobicContact CE2-CB 3.8Å; F481-R485 HydrophobicContact CE2-CG 4.16Å; F481-R485 HydrophobicContact CG-CB 4.47Å; F481-R485 HydrophobicContact CZ-CB 4.1Å; F481-R485 WeakPolarHBondContact O-CA 3.43Å; F481-R485 WeakPolarHBondContact O-CB 3.26Å; F481-R485 PolarHBondContact O-N 3.05Å; F481-F486 PolarHBondContact O-N 3.44Å; F481-H593 HydrophobicContact CB-CB 3.7Å; F481-H593 HydrophobicContact CD1-CB 3.78Å; F481-H593 HydrophobicContact CD2-CB 4Å; F481-H593 HydrophobicContact CE1-CB 4.44Å; F481-H593 HydrophobicContact CG-CB 3.53Å; F481-A610 HydrophobicContact CD1-CB 4.25Å; F481-A610 HydrophobicContact CE1-CB 4.09Å
482	V	94.8	Very high	92.5	Very high	13 Å²	13	45.6 Å²	45.6	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-40	177.6	167.5	0	0	0	0	111.7	G478 R479 H480 F486 Y536 I540 V592 A610	G478-V482 WeakPolarHBondContact O-CB 3Å; G478-V482 VanDerWaalsContact O-CG2 3.32Å; G478-V482 WeakPolarHBondContact O-CG2 3.39Å; G478-V482 PolarHBondContact O-N 3.44Å; R479-V482 PolarHBondContact O-N 2.64Å; H480-V482 VanDerWaalsContact C-N 3.32Å; H480-V482 PolarHBondContact O-N 3.1Å; V482-F486 HydrophobicContact CB-CB 4.48Å; V482-F486 HydrophobicContact CG1-CD1 4.47Å; V482-F486 HydrophobicContact CG2-CB 4.5Å; V482-Y536 HydrophobicContact CB-CD1 4.41Å; V482-Y536 HydrophobicContact CG1-CD1 3.51Å; V482-Y536 HydrophobicContact CG1-CD2 4.13Å; V482-Y536 HydrophobicContact CG1-CE1 3.61Å; V482-Y536 HydrophobicContact CG1-CE2 4.2Å; V482-Y536 HydrophobicContact CG1-CG 3.8Å; V482-Y536 HydrophobicContact CG2-CD1 3.9Å; V482-Y536 HydrophobicContact CG2-CG 3.99Å; V482-I540 HydrophobicContact CG2-CD1 4.22Å; V482-V592 HydrophobicContact CG2-CG2 3.71Å; V482-A610 HydrophobicContact CG2-CB 3.91Å
483	H	93.7	Very high	92.1	Very high	149 Å²	149	46.3 Å²	46.3	69%	0.69	22%	0.218	S	C	*	.	H	α-helix	trans	-70.2	-36.7	179.4	-177.2	-93.4	0	0	0	113.3	R479 H480 F481	R479-H483 PolarHBondContact O-N 3.05Å; R479-H483 VanDerWaalsContact O-N 3.1Å; H480-H483 PolarHBondContact O-N 3.47Å; H480-H483 VanDerWaalsContact O-N 3.13Å; F481-H483 VanDerWaalsContact C-N 3.34Å; F481-H483 PolarHBondContact O-N 2.88Å
484	E	93.4	Very high	91.8	Very high	89 Å²	89	46.5 Å²	46.5	42%	0.416	22%	0.22	S	C	.	.	H	α-helix	trans	-103.2	-27.5	-169.3	-66.8	175.5	-132.1	0	0	114.7	F169 H480 F481	F169-E484 HydrophobicContact CE2-CB 4.08Å; F169-E484 HydrophobicContact CZ-CB 4.48Å; H480-E484 IonicContact ND1-OE1 3.97Å; H480-E484 WeakPolarHBondContact O-CB 3.34Å; H480-E484 WeakPolarHBondContact O-CG 3.34Å; H480-E484 PolarHBondContact O-N 3.49Å; F481-E484 PolarHBondContact O-N 3.13Å
485	R	91.1	Very high	91.7	Very high	122 Å²	122	49.3 Å²	49.3	46%	0.46	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-21.1	-171.6	-58	-62.5	178.8	98.6	-2.5	114.1	F169 E172 F481	F169-R485 HydrophobicContact CD2-CG 3.8Å; F169-R485 HydrophobicContact CE2-CG 4Å; F169-R485 HydrophobicContact CG-CG 4.36Å; E172-R485 IonicContact OE2-NH2 2.78Å; E172-R485 PolarHBondContact OE2-NH2 3.29Å; F481-R485 HydrophobicContact CD2-CB 4Å; F481-R485 HydrophobicContact CD2-CG 4.13Å; F481-R485 HydrophobicContact CE2-CB 3.8Å; F481-R485 HydrophobicContact CE2-CG 4.16Å; F481-R485 HydrophobicContact CG-CB 4.47Å; F481-R485 HydrophobicContact CZ-CB 4.1Å; F481-R485 WeakPolarHBondContact O-CA 3.43Å; F481-R485 WeakPolarHBondContact O-CB 3.26Å; F481-R485 PolarHBondContact O-N 3.05Å
486	F	91.6	Very high	91.7	Very high	24 Å²	24	51.5 Å²	51.5	11%	0.105	25%	0.246	C	C	.	.			trans	-96.2	133.7	-175	-170.5	-109.6	0	0	0	113.7	F481 V482 K491 Y536 A610 L613	F481-F486 PolarHBondContact O-N 3.44Å; V482-F486 HydrophobicContact CB-CB 4.48Å; V482-F486 HydrophobicContact CG1-CD1 4.47Å; V482-F486 HydrophobicContact CG2-CB 4.5Å; F486-K491 HydrophobicContact CE1-CB 3.76Å; F486-K491 HydrophobicContact CZ-CB 3.86Å; F486-Y536 HydrophobicContact CD1-CD1 4.01Å; F486-Y536 AromaticContact CD1-CE1 3.86Å; F486-Y536 HydrophobicContact CD1-CE1 3.86Å; F486-Y536 HydrophobicContact CE1-CD1 4.01Å; F486-Y536 AromaticContact CE1-CE1 3.84Å; F486-Y536 HydrophobicContact CE1-CE1 3.84Å; F486-A610 HydrophobicContact CB-CB 4.35Å; F486-A610 HydrophobicContact CD1-CB 4.3Å; F486-A610 HydrophobicContact CD2-CB 3.65Å; F486-A610 HydrophobicContact CE2-CB 3.99Å; F486-A610 HydrophobicContact CG-CB 3.82Å; F486-A610 HydrophobicContact CZ-CB 4.43Å; F486-L613 HydrophobicContact CE2-CB 3.79Å; F486-L613 HydrophobicContact CE2-CD1 4.13Å; F486-L613 HydrophobicContact CZ-CB 4.43Å; F486-L613 HydrophobicContact CZ-CD1 3.97Å
487	N	86	Confident	91.5	Very high	82 Å²	82	52 Å²	52	44%	0.439	25%	0.248	S	C	.	.			trans	-94.4	123.1	176.5	-174.9	-16.3	0	0	0	110.7	K489 S490	N487-K489 PolarHBondContact O-N 3.22Å; N487-K489 VanDerWaalsContact O-N 3.16Å; N487-K489 WeakPolarHBondContact OD1-CB 3.5Å; N487-K489 PolarHBondContact OD1-N 2.99Å; N487-S490 VanDerWaalsContact O-CB 3.23Å; N487-S490 WeakPolarHBondContact O-CB 3.35Å; N487-S490 PolarHBondContact O-N 3.09Å; N487-S490 PolarHBondContact O-OG 3.4Å
488	Q	86.2	Confident	91.5	Very high	78 Å²	78	52.2 Å²	52.2	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-54.8	-33.9	177.7	177.9	55	23.6	0	0	113.5	S490 K491 E492 Y536	Q488-S490 PolarHBondContact O-N 3.36Å; Q488-K491 WeakPolarHBondContact O-CB 3.44Å; Q488-K491 PolarHBondContact O-N 3.42Å; Q488-K491 VanDerWaalsContact O-N 3.1Å; Q488-E492 PolarHBondContact NE2-OE1 2.89Å; Q488-E492 PolarHBondContact O-N 3.44Å; Q488-Y536 PolarHBondContact OE1-OH 3.35Å
489	K	83.9	Confident	91.5	Very high	142 Å²	142	56 Å²	56	62%	0.617	27%	0.273	S	S	*	.	H	α-helix	trans	-63.6	-27.8	175.8	-65.5	-174.4	175.6	-175.4	0	113.1	N487 K491 E492 A493	N487-K489 PolarHBondContact O-N 3.22Å; N487-K489 VanDerWaalsContact O-N 3.16Å; N487-K489 WeakPolarHBondContact OD1-CB 3.5Å; N487-K489 PolarHBondContact OD1-N 2.99Å; K489-K491 VanDerWaalsContact C-N 3.33Å; K489-E492 PolarHBondContact O-N 3.27Å; K489-A493 WeakPolarHBondContact O-CB 3.37Å; K489-A493 PolarHBondContact O-N 2.85Å
490	S	86.4	Confident	91.5	Very high	10 Å²	10	56.4 Å²	56.4	7%	0.07	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-36.8	174.5	-56.6	0	0	0	0	111.6	N487 Q488 A494	N487-S490 VanDerWaalsContact O-CB 3.23Å; N487-S490 WeakPolarHBondContact O-CB 3.35Å; N487-S490 PolarHBondContact O-N 3.09Å; N487-S490 PolarHBondContact O-OG 3.4Å; Q488-S490 PolarHBondContact O-N 3.36Å; S490-A494 WeakPolarHBondContact O-CB 3.43Å; S490-A494 PolarHBondContact O-N 3.48Å
491	K	89.9	Confident	91.6	Very high	34 Å²	34	56.1 Å²	56.1	15%	0.148	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-41.1	175.6	171.7	169.2	177.4	167.7	0	112	F486 Q488 K489 T495 V534 Y536	F486-K491 HydrophobicContact CE1-CB 3.76Å; F486-K491 HydrophobicContact CZ-CB 3.86Å; Q488-K491 WeakPolarHBondContact O-CB 3.44Å; Q488-K491 PolarHBondContact O-N 3.42Å; Q488-K491 VanDerWaalsContact O-N 3.1Å; K489-K491 VanDerWaalsContact C-N 3.33Å; K491-T495 WeakPolarHBondContact O-CB 3.3Å; K491-T495 PolarHBondContact O-N 3.3Å; K491-T495 PolarHBondContact O-OG1 3.45Å; K491-V534 VanDerWaalsContact CD-O 3.28Å; K491-V534 WeakPolarHBondContact CD-O 3.41Å; K491-V534 WeakPolarHBondContact CE-O 3.46Å; K491-V534 HydrophobicContact CG-CB 4.36Å; K491-V534 HydrophobicContact CG-CG1 4.15Å; K491-V534 PolarHBondContact NZ-O 2.83Å; K491-Y536 HydrophobicContact CD-CD1 4.13Å; K491-Y536 HydrophobicContact CD-CE1 3.74Å; K491-Y536 PolarHBondContact NZ-O 3.02Å
492	E	89.9	Confident	91.6	Very high	110 Å²	110	57.7 Å²	57.7	51%	0.514	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-53.5	176.2	-71.3	159.5	-165.1	0	0	111.2	Q488 K489 A494 T495 E496	Q488-E492 PolarHBondContact NE2-OE1 2.89Å; Q488-E492 PolarHBondContact O-N 3.44Å; K489-E492 PolarHBondContact O-N 3.27Å; E492-A494 PolarHBondContact O-N 2.91Å; E492-T495 WeakPolarHBondContact O-CB 3.06Å; E492-T495 PolarHBondContact O-N 3.35Å; E492-T495 VanDerWaalsContact O-N 3.14Å; E492-E496 PolarHBondContact O-N 3.41Å
493	A	85.3	Confident	91.8	Very high	29 Å²	29	59.3 Å²	59.3	24%	0.24	29%	0.291	C	S	.	.	H	α-helix	trans	-66.2	-35.8	179.8	0	0	0	0	0	113.5	K489 T495 E496 M497 Y618	K489-A493 WeakPolarHBondContact O-CB 3.37Å; K489-A493 PolarHBondContact O-N 2.85Å; A493-T495 VanDerWaalsContact C-N 3.32Å; A493-E496 PolarHBondContact O-N 2.91Å; A493-M497 WeakPolarHBondContact O-CB 3.37Å; A493-M497 PolarHBondContact O-N 3.28Å; A493-Y618 HydrophobicContact CB-CE2 4.3Å; A493-Y618 WeakPolarHBondContact CB-OH 3.47Å
494	A	90.2	Very high	91.9	Very high	5 Å²	5	52.3 Å²	52.3	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-37.4	172.4	0	0	0	0	0	111.7	S490 E492 M497 I498 V534 L613	S490-A494 WeakPolarHBondContact O-CB 3.43Å; S490-A494 PolarHBondContact O-N 3.48Å; E492-A494 PolarHBondContact O-N 2.91Å; A494-M497 PolarHBondContact O-N 3.02Å; A494-I498 WeakPolarHBondContact O-CD1 3.27Å; A494-I498 VanDerWaalsContact O-CG1 3.23Å; A494-I498 WeakPolarHBondContact O-CG1 3.45Å; A494-I498 PolarHBondContact O-N 3.38Å; A494-V534 HydrophobicContact CB-CG1 3.82Å; A494-L613 HydrophobicContact CB-CD1 4.14Å; A494-L613 HydrophobicContact CB-CD2 3.8Å
495	T	93.5	Very high	92.1	Very high	61 Å²	61	48.2 Å²	48.2	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-40	176.2	-55.1	0	0	0	0	111.9	K491 E492 A493 T499	K491-T495 WeakPolarHBondContact O-CB 3.3Å; K491-T495 PolarHBondContact O-N 3.3Å; K491-T495 PolarHBondContact O-OG1 3.45Å; E492-T495 WeakPolarHBondContact O-CB 3.06Å; E492-T495 PolarHBondContact O-N 3.35Å; E492-T495 VanDerWaalsContact O-N 3.14Å; A493-T495 VanDerWaalsContact C-N 3.32Å; T495-T499 PolarHBondContact O-N 3.06Å; T495-T499 VanDerWaalsContact O-N 3.16Å; T495-T499 PolarHBondContact O-OG1 3.32Å
496	E	92.5	Very high	92.4	Very high	103 Å²	103	45 Å²	45	48%	0.481	23%	0.229	S	C	.	.	H	α-helix	trans	-61.9	-46.7	171.6	-174.1	179.7	177.8	0	0	111.3	E492 A493 I498 T499 E500	E492-E496 PolarHBondContact O-N 3.41Å; A493-E496 PolarHBondContact O-N 2.91Å; E496-I498 PolarHBondContact O-N 3.08Å; E496-T499 WeakPolarHBondContact O-CA 3Å; E496-T499 WeakPolarHBondContact O-CB 3.43Å; E496-T499 PolarHBondContact O-N 3.5Å; E496-E500 PolarHBondContact O-N 3.48Å
497	M	92.6	Very high	92.6	Very high	12 Å²	12	49 Å²	49	6%	0.059	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-42.4	179	-162.4	-170.8	-57	0	0	112.5	A493 A494 T499 E500 I501 Y618 N627 F628 I631 G632	A493-M497 WeakPolarHBondContact O-CB 3.37Å; A493-M497 PolarHBondContact O-N 3.28Å; A494-M497 PolarHBondContact O-N 3.02Å; M497-T499 VanDerWaalsContact C-N 3.25Å; M497-T499 PolarHBondContact O-N 2.99Å; M497-E500 PolarHBondContact O-N 3.19Å; M497-I501 HydrophobicContact CG-CD1 3.75Å; M497-I501 HydrophobicContact CG-CG1 4.47Å; M497-I501 VanDerWaalsContact O-CG1 3.27Å; M497-I501 WeakPolarHBondContact O-CG1 3.29Å; M497-I501 PolarHBondContact O-N 3.4Å; M497-I501 HydrophobicContact SD-CD1 4.19Å; M497-Y618 HydrophobicContact CE-CD2 4.14Å; M497-Y618 HydrophobicContact CE-CE2 4.26Å; M497-N627 HydrophobicContact CE-CB 3.86Å; M497-F628 HydrophobicContact CG-CD1 4.2Å; M497-F628 HydrophobicContact CG-CE1 3.66Å; M497-F628 HydrophobicContact CG-CE2 4.01Å; M497-F628 HydrophobicContact CG-CZ 3.56Å; M497-F628 HydrophobicContact SD-CD1 4.41Å; M497-F628 HydrophobicContact SD-CD2 4.45Å; M497-F628 HydrophobicContact SD-CE1 4.43Å; M497-F628 HydrophobicContact SD-CE2 4.48Å; M497-F628 HydrophobicContact SD-CG 4.43Å; M497-F628 HydrophobicContact SD-CZ 4.48Å; M497-I631 HydrophobicContact CE-CG2 3.65Å; M497-I631 HydrophobicContact SD-CG2 3.68Å; M497-G632 VanDerWaalsContact SD-CA 3.59Å
498	I	95.5	Very high	93	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-57.8	-40.3	173.1	-69.5	158.3	0	0	0	111	A494 E496 I501 K502 A532 V534 I606 F608 V635	A494-I498 WeakPolarHBondContact O-CD1 3.27Å; A494-I498 VanDerWaalsContact O-CG1 3.23Å; A494-I498 WeakPolarHBondContact O-CG1 3.45Å; A494-I498 PolarHBondContact O-N 3.38Å; E496-I498 PolarHBondContact O-N 3.08Å; I498-I501 PolarHBondContact O-N 3.31Å; I498-K502 HydrophobicContact CG2-CD 4.18Å; I498-K502 HydrophobicContact CG2-CG 4.32Å; I498-K502 WeakPolarHBondContact O-CB 3.49Å; I498-K502 WeakPolarHBondContact O-CG 3.34Å; I498-K502 PolarHBondContact O-N 3.38Å; I498-A532 HydrophobicContact CG2-CB 4.13Å; I498-V534 HydrophobicContact CD1-CG1 4.47Å; I498-V534 HydrophobicContact CD1-CG2 3.47Å; I498-V534 VanDerWaalsContact CD1-CG2 3.47Å; I498-I606 HydrophobicContact CG2-CD1 4.06Å; I498-F608 HydrophobicContact CD1-CD2 3.52Å; I498-F608 HydrophobicContact CD1-CE2 3.64Å; I498-F608 HydrophobicContact CD1-CG 4.45Å; I498-F608 HydrophobicContact CG1-CD2 4.32Å; I498-F608 HydrophobicContact CG1-CE2 3.99Å; I498-V635 HydrophobicContact CB-CG1 4.2Å; I498-V635 HydrophobicContact CG1-CB 4.42Å; I498-V635 HydrophobicContact CG1-CG1 3.64Å; I498-V635 HydrophobicContact CG1-CG2 3.84Å
499	T	96.4	Very high	93.5	Very high	81 Å²	81	41.7 Å²	41.7	50%	0.497	21%	0.212	S	C	.	.	H	α-helix	trans	-65.9	-44.8	179.3	-55.8	0	0	0	0	111.9	T495 E496 M497 T503	T495-T499 PolarHBondContact O-N 3.06Å; T495-T499 VanDerWaalsContact O-N 3.16Å; T495-T499 PolarHBondContact O-OG1 3.32Å; E496-T499 WeakPolarHBondContact O-CA 3Å; E496-T499 WeakPolarHBondContact O-CB 3.43Å; E496-T499 PolarHBondContact O-N 3.5Å; M497-T499 VanDerWaalsContact C-N 3.25Å; M497-T499 PolarHBondContact O-N 2.99Å; T499-T503 WeakPolarHBondContact O-CB 3.09Å; T499-T503 PolarHBondContact O-N 3.13Å; T499-T503 PolarHBondContact O-OG1 2.9Å
500	E	96.2	Very high	94	Very high	26 Å²	26	39.1 Å²	39.1	12%	0.121	22%	0.217	C	C	.	.	H	α-helix	trans	-67	-37.2	176.6	-72.8	-76.4	-175.3	0	0	112	E496 M497 T503 A504 A711 L715 K718	E496-E500 PolarHBondContact O-N 3.48Å; M497-E500 PolarHBondContact O-N 3.19Å; E500-T503 WeakPolarHBondContact O-CB 3.18Å; E500-T503 PolarHBondContact O-N 3.19Å; E500-A504 PolarHBondContact O-N 3.44Å; E500-A711 HydrophobicContact CB-CB 4.46Å; E500-L715 HydrophobicContact CG-CD1 4.33Å; E500-K718 IonicContact OE1-NZ 2.67Å; E500-K718 PolarHBondContact OE1-NZ 2.76Å; E500-K718 IonicContact OE2-NZ 2.71Å
501	I	97.8	Very high	94.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-72.9	-43.1	178.4	-62.9	164.5	0	0	0	111.8	M497 I498 T503 A504 F505 F628 G632 V635 I639 A707 A711	M497-I501 HydrophobicContact CG-CD1 3.75Å; M497-I501 HydrophobicContact CG-CG1 4.47Å; M497-I501 VanDerWaalsContact O-CG1 3.27Å; M497-I501 WeakPolarHBondContact O-CG1 3.29Å; M497-I501 PolarHBondContact O-N 3.4Å; M497-I501 HydrophobicContact SD-CD1 4.19Å; I498-I501 PolarHBondContact O-N 3.31Å; I501-T503 PolarHBondContact O-N 3.37Å; I501-A504 PolarHBondContact O-N 3.04Å; I501-F505 WeakPolarHBondContact O-CB 3.3Å; I501-F505 PolarHBondContact O-N 2.97Å; I501-F628 HydrophobicContact CD1-CD1 4.2Å; I501-F628 HydrophobicContact CD1-CE1 4.09Å; I501-F628 HydrophobicContact CG1-CD1 4.26Å; I501-F628 HydrophobicContact CG1-CE1 3.88Å; I501-G632 VanDerWaalsContact CD1-CA 3.49Å; I501-G632 WeakPolarHBondContact CD1-O 3.37Å; I501-V635 HydrophobicContact CB-CG1 4.04Å; I501-V635 HydrophobicContact CD1-CB 3.83Å; I501-V635 HydrophobicContact CD1-CG1 3.68Å; I501-V635 HydrophobicContact CG1-CG1 4.47Å; I501-V635 HydrophobicContact CG2-CG1 4.12Å; I501-I639 HydrophobicContact CB-CD1 4.35Å; I501-I639 HydrophobicContact CG2-CD1 3.81Å; I501-A707 HydrophobicContact CG2-CB 4.08Å; I501-A711 HydrophobicContact CB-CB 4.44Å; I501-A711 HydrophobicContact CG1-CB 3.72Å
502	K	97.6	Very high	94.5	Very high	35 Å²	35	40.3 Å²	40.3	15%	0.152	23%	0.229	C	C	.	.	H	α-helix	trans	-54.8	-40.1	170	-76.7	-173.4	70.9	-179.3	0	111.1	I498 K506 V527 M530 I639	I498-K502 HydrophobicContact CG2-CD 4.18Å; I498-K502 HydrophobicContact CG2-CG 4.32Å; I498-K502 WeakPolarHBondContact O-CB 3.49Å; I498-K502 WeakPolarHBondContact O-CG 3.34Å; I498-K502 PolarHBondContact O-N 3.38Å; K502-K506 WeakPolarHBondContact O-CB 3.47Å; K502-K506 PolarHBondContact O-N 3.18Å; K502-V527 HydrophobicContact CB-CG1 4.1Å; K502-V527 WeakPolarHBondContact CE-O 3.34Å; K502-V527 HydrophobicContact CG-CG1 4.25Å; K502-V527 PolarHBondContact NZ-O 3.19Å; K502-M530 PolarHBondContact NZ-O 2.83Å; K502-I639 HydrophobicContact CB-CD1 4.45Å; K502-I639 HydrophobicContact CG-CD1 3.61Å; K502-I639 HydrophobicContact CG-CG1 4.21Å
503	T	97.3	Very high	94.7	Very high	47 Å²	47	44.7 Å²	44.7	29%	0.288	25%	0.247	S	C	.	.	H	α-helix	trans	-65.6	-47.9	176.9	-57.1	0	0	0	0	111.6	T499 E500 I501 F505 K506 E507	T499-T503 WeakPolarHBondContact O-CB 3.09Å; T499-T503 PolarHBondContact O-N 3.13Å; T499-T503 PolarHBondContact O-OG1 2.9Å; E500-T503 WeakPolarHBondContact O-CB 3.18Å; E500-T503 PolarHBondContact O-N 3.19Å; I501-T503 PolarHBondContact O-N 3.37Å; T503-F505 PolarHBondContact O-N 3.3Å; T503-K506 PolarHBondContact O-N 3.01Å; T503-E507 HydrophobicContact CG2-CG 4.45Å; T503-E507 WeakPolarHBondContact O-CB 3.25Å; T503-E507 WeakPolarHBondContact O-CG 3.44Å; T503-E507 PolarHBondContact O-N 3.08Å
504	A	97.2	Very high	95.3	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-64	-37.1	178.2	0	0	0	0	0	113	E500 I501 N508 K710 A711	E500-A504 PolarHBondContact O-N 3.44Å; I501-A504 PolarHBondContact O-N 3.04Å; A504-N508 VanDerWaalsContact O-CB 3.32Å; A504-N508 WeakPolarHBondContact O-CB 3.33Å; A504-N508 PolarHBondContact O-N 3.11Å; A504-N508 VanDerWaalsContact O-N 3.1Å; A504-K710 HydrophobicContact CB-CB 4.04Å; A504-A711 HydrophobicContact CB-CB 3.78Å
505	F	97.3	Very high	95.6	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.013	24%	0.243	C	C	.	.	H	α-helix	trans	-65.7	-43.9	174.4	-167.2	-82.2	0	0	0	111.3	I501 T503 N508 F509 V527 I639 T640 F643 A707 W800	I501-F505 WeakPolarHBondContact O-CB 3.3Å; I501-F505 PolarHBondContact O-N 2.97Å; T503-F505 PolarHBondContact O-N 3.3Å; F505-N508 WeakPolarHBondContact O-CB 3.17Å; F505-N508 PolarHBondContact O-N 2.92Å; F505-F509 HydrophobicContact CD1-CE2 4.11Å; F505-F509 HydrophobicContact CD1-CZ 4.19Å; F505-F509 HydrophobicContact CE1-CE1 4.42Å; F505-F509 HydrophobicContact CE1-CE2 4.04Å; F505-F509 AromaticContact CE1-CZ 3.65Å; F505-F509 HydrophobicContact CE1-CZ 3.65Å; F505-V527 HydrophobicContact CD1-CG2 3.89Å; F505-V527 HydrophobicContact CE1-CG2 4.21Å; F505-I639 HydrophobicContact CB-CG2 4.1Å; F505-I639 HydrophobicContact CD1-CG2 3.91Å; F505-I639 HydrophobicContact CD2-CG2 3.89Å; F505-I639 HydrophobicContact CE1-CG2 4.31Å; F505-I639 HydrophobicContact CE2-CG2 4.32Å; F505-I639 HydrophobicContact CG-CG2 3.69Å; F505-T640 HydrophobicContact CE2-CG2 4.27Å; F505-T640 WeakPolarHBondContact CE2-OG1 3.43Å; F505-F643 HydrophobicContact CD1-CE2 4.43Å; F505-F643 AromaticContact CE1-CD2 3.57Å; F505-F643 HydrophobicContact CE1-CD2 3.57Å; F505-F643 AromaticContact CE1-CE2 3.57Å; F505-F643 HydrophobicContact CE1-CE2 3.57Å; F505-F643 HydrophobicContact CE1-CG 4.37Å; F505-F643 HydrophobicContact CE1-CZ 4.37Å; F505-F643 AromaticContact CZ-CD2 3.67Å; F505-F643 HydrophobicContact CZ-CD2 3.67Å; F505-F643 HydrophobicContact CZ-CE2 4.14Å; F505-F643 HydrophobicContact CZ-CG 4.38Å; F505-A707 HydrophobicContact CB-CB 4.18Å; F505-A707 HydrophobicContact CD2-CB 3.91Å; F505-W800 HydrophobicContact CE2-CB 4.38Å; F505-W800 HydrophobicContact CZ-CB 4.42Å; F505-W800 HydrophobicContact CZ-CG 4.29Å
506	K	96.6	Very high	95.8	Very high	54 Å²	54	47.2 Å²	47.2	24%	0.235	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-50.8	172.9	-86.1	179.4	41.5	160	0	113.1	K502 T503 N508 F509 I524 V527 D528	K502-K506 WeakPolarHBondContact O-CB 3.47Å; K502-K506 PolarHBondContact O-N 3.18Å; T503-K506 PolarHBondContact O-N 3.01Å; K506-N508 PolarHBondContact O-N 2.91Å; K506-F509 WeakPolarHBondContact O-CD2 3.19Å; K506-F509 PolarHBondContact O-N 3.12Å; K506-F509 VanDerWaalsContact O-N 3.16Å; K506-I524 HydrophobicContact CD-CG2 4.3Å; K506-I524 HydrophobicContact CG-CG2 4.48Å; K506-V527 HydrophobicContact CD-CB 4.08Å; K506-V527 HydrophobicContact CD-CG1 4.03Å; K506-V527 HydrophobicContact CG-CB 3.69Å; K506-V527 HydrophobicContact CG-CG1 3.73Å; K506-V527 HydrophobicContact CG-CG2 4.17Å; K506-D528 WeakPolarHBondContact CD-OD1 3.44Å; K506-D528 IonicContact NZ-OD1 2.79Å; K506-D528 PolarHBondContact NZ-OD1 2.78Å; K506-D528 IonicContact NZ-OD2 2.74Å; K506-D528 PolarHBondContact NZ-OD2 2.64Å
507	E	95.7	Very high	96	Very high	107 Å²	107	48.4 Å²	48.4	50%	0.5	25%	0.252	S	S	.	.	H	α-helix	trans	-60.6	-28	-179.5	-73.9	172.2	166.2	0	0	111.7	T503 F509 A510 K714	T503-E507 HydrophobicContact CG2-CG 4.45Å; T503-E507 WeakPolarHBondContact O-CB 3.25Å; T503-E507 WeakPolarHBondContact O-CG 3.44Å; T503-E507 PolarHBondContact O-N 3.08Å; E507-F509 PolarHBondContact O-N 3.44Å; E507-A510 PolarHBondContact O-N 2.97Å; E507-K714 IonicContact OE1-NZ 2.78Å; E507-K714 PolarHBondContact OE1-NZ 3.09Å; E507-K714 IonicContact OE2-NZ 3.12Å; E507-K714 PolarHBondContact OE2-NZ 3.2Å
508	N	95.5	Very high	96.2	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-28	177.7	174.4	85	0	0	0	113.9	A504 F505 K506 A510 S511 V512 K706 K710 W800	A504-N508 VanDerWaalsContact O-CB 3.32Å; A504-N508 WeakPolarHBondContact O-CB 3.33Å; A504-N508 PolarHBondContact O-N 3.11Å; A504-N508 VanDerWaalsContact O-N 3.1Å; F505-N508 WeakPolarHBondContact O-CB 3.17Å; F505-N508 PolarHBondContact O-N 2.92Å; K506-N508 PolarHBondContact O-N 2.91Å; N508-A510 PolarHBondContact O-N 3.01Å; N508-A510 VanDerWaalsContact O-N 3.13Å; N508-S511 WeakPolarHBondContact O-CA 3.41Å; N508-S511 WeakPolarHBondContact O-CB 3.4Å; N508-S511 PolarHBondContact O-N 3.12Å; N508-S511 PolarHBondContact O-OG 3.38Å; N508-S511 PolarHBondContact OD1-OG 2.91Å; N508-V512 PolarHBondContact O-N 2.96Å; N508-K706 VanDerWaalsContact OD1-CE 3.32Å; N508-K706 WeakPolarHBondContact OD1-CE 3.05Å; N508-K706 PolarHBondContact OD1-NZ 2.93Å; N508-K710 PolarHBondContact OD1-NZ 3.13Å; N508-W800 PolarHBondContact ND2-OXT 3.25Å
509	F	96.2	Very high	96.3	Very high	1 Å²	1	50.7 Å²	50.7	0%	0.004	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-56.7	-30.2	177	-73.8	-62.1	0	0	0	113.5	F505 K506 E507 S511 V512 M515 K520 A523 I524 V527 F643 W800	F505-F509 HydrophobicContact CD1-CE2 4.11Å; F505-F509 HydrophobicContact CD1-CZ 4.19Å; F505-F509 HydrophobicContact CE1-CE1 4.42Å; F505-F509 HydrophobicContact CE1-CE2 4.04Å; F505-F509 AromaticContact CE1-CZ 3.65Å; F505-F509 HydrophobicContact CE1-CZ 3.65Å; K506-F509 WeakPolarHBondContact O-CD2 3.19Å; K506-F509 PolarHBondContact O-N 3.12Å; K506-F509 VanDerWaalsContact O-N 3.16Å; E507-F509 PolarHBondContact O-N 3.44Å; F509-S511 PolarHBondContact O-N 3.35Å; F509-V512 HydrophobicContact CD1-CG2 4.47Å; F509-V512 WeakPolarHBondContact O-CB 3.44Å; F509-V512 PolarHBondContact O-N 3.43Å; F509-V512 VanDerWaalsContact O-N 3.1Å; F509-M515 HydrophobicContact CD1-SD 3.93Å; F509-M515 HydrophobicContact CE1-SD 4.19Å; F509-K520 WeakPolarHBondContact O-CD 3.14Å; F509-K520 WeakPolarHBondContact O-CE 3.37Å; F509-A523 HydrophobicContact CD1-CB 4.22Å; F509-A523 HydrophobicContact CE1-CB 3.62Å; F509-A523 HydrophobicContact CE2-CB 3.95Å; F509-A523 HydrophobicContact CZ-CB 3.46Å; F509-A523 VanDerWaalsContact CZ-CB 3.46Å; F509-I524 HydrophobicContact CD2-CG1 3.67Å; F509-I524 HydrophobicContact CE2-CG1 4.31Å; F509-I524 HydrophobicContact CG-CG1 4.43Å; F509-V527 HydrophobicContact CE2-CG2 3.98Å; F509-V527 HydrophobicContact CZ-CG2 4.48Å; F509-F643 HydrophobicContact CZ-CD1 4.35Å; F509-F643 AromaticContact CZ-CE1 3.98Å; F509-F643 HydrophobicContact CZ-CE1 3.98Å; F509-F643 HydrophobicContact CZ-CE2 4.47Å; F509-F643 HydrophobicContact CZ-CZ 4.06Å; F509-W800 HydrophobicContact CD1-CZ3 4.4Å; F509-W800 HydrophobicContact CE1-CE3 4.01Å; F509-W800 AromaticContact CE1-CZ3 3.79Å; F509-W800 HydrophobicContact CE1-CZ3 3.79Å
510	A	93.8	Very high	96.3	Very high	88 Å²	88	47.5 Å²	47.5	73%	0.727	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-61.5	-29	174.4	0	0	0	0	0	112.8	E507 N508	E507-A510 PolarHBondContact O-N 2.97Å; N508-A510 PolarHBondContact O-N 3.01Å; N508-A510 VanDerWaalsContact O-N 3.13Å
511	S	92	Very high	96.4	Very high	63 Å²	63	52.1 Å²	52.1	44%	0.441	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-85.6	-12	176.5	70.8	0	0	0	0	114.2	N508 F509 K513	N508-S511 WeakPolarHBondContact O-CA 3.41Å; N508-S511 WeakPolarHBondContact O-CB 3.4Å; N508-S511 PolarHBondContact O-N 3.12Å; N508-S511 PolarHBondContact O-OG 3.38Å; N508-S511 PolarHBondContact OD1-OG 2.91Å; F509-S511 PolarHBondContact O-N 3.35Å; S511-K513 PolarHBondContact O-N 3.05Å; S511-K513 VanDerWaalsContact O-N 3.09Å
512	V	95.5	Very high	96.4	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.03	29%	0.293	C	S	.	.			trans	-76.9	95.9	-179.9	-177.9	0	0	0	0	109.6	N508 F509 W514 M515 K520	N508-V512 PolarHBondContact O-N 2.96Å; F509-V512 HydrophobicContact CD1-CG2 4.47Å; F509-V512 WeakPolarHBondContact O-CB 3.44Å; F509-V512 PolarHBondContact O-N 3.43Å; F509-V512 VanDerWaalsContact O-N 3.1Å; V512-W514 VanDerWaalsContact C-N 3.28Å; V512-W514 HydrophobicContact CG1-CD2 3.86Å; V512-W514 VanDerWaalsContact CG1-CE2 3.43Å; V512-W514 HydrophobicContact CG1-CG 3.98Å; V512-W514 HydrophobicContact CG1-CZ2 3.92Å; V512-W514 VanDerWaalsContact CG1-NE1 3.34Å; V512-W514 PolarHBondContact O-N 2.97Å; V512-M515 HydrophobicContact CG1-CB 4.26Å; V512-M515 HydrophobicContact CG1-CG 3.66Å; V512-M515 HydrophobicContact CG1-SD 3.93Å; V512-K520 WeakPolarHBondContact O-CE 3.36Å; V512-K520 PolarHBondContact O-NZ 3.24Å
513	K	95.1	Very high	96.4	Very high	203 Å²	203	54 Å²	54	88%	0.883	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.7	-174.5	-65.1	-179.9	-176.8	173.1	0	114.9	S511	S511-K513 PolarHBondContact O-N 3.05Å; S511-K513 VanDerWaalsContact O-N 3.09Å
514	W	96.1	Very high	96.4	Very high	47 Å²	47	54 Å²	54	18%	0.178	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-14.2	-171	62.8	-107.5	0	0	0	113.9	V512 T664 A667 F668 N671 V799 W800	V512-W514 VanDerWaalsContact C-N 3.28Å; V512-W514 HydrophobicContact CG1-CD2 3.86Å; V512-W514 VanDerWaalsContact CG1-CE2 3.43Å; V512-W514 HydrophobicContact CG1-CG 3.98Å; V512-W514 HydrophobicContact CG1-CZ2 3.92Å; V512-W514 VanDerWaalsContact CG1-NE1 3.34Å; V512-W514 PolarHBondContact O-N 2.97Å; W514-T664 HydrophobicContact CZ3-CG2 3.93Å; W514-A667 HydrophobicContact CB-CB 4.22Å; W514-A667 HydrophobicContact CD2-CB 4.46Å; W514-A667 HydrophobicContact CE3-CB 3.75Å; W514-F668 HydrophobicContact CH2-CB 3.77Å; W514-F668 AromaticContact CH2-CD2 3.82Å; W514-F668 HydrophobicContact CH2-CD2 3.82Å; W514-F668 HydrophobicContact CH2-CG 4.29Å; W514-F668 HydrophobicContact CZ2-CD2 4.38Å; W514-F668 HydrophobicContact CZ3-CB 3.68Å; W514-N671 VanDerWaalsContact CD2-ND2 3.35Å; W514-N671 PolarHBondContact NE1-ND2 3.24Å; W514-V799 HydrophobicContact CZ2-CG1 4.15Å; W514-V799 WeakPolarHBondContact CZ2-O 3.33Å; W514-V799 PolarHBondContact NE1-O 2.99Å; W514-W800 AromaticContact CH2-CH2 3.42Å; W514-W800 HydrophobicContact CH2-CH2 3.42Å; W514-W800 VanDerWaalsContact CH2-CH2 3.42Å; W514-W800 HydrophobicContact CH2-CZ2 4.16Å; W514-W800 AromaticContact CH2-CZ3 3.7Å; W514-W800 HydrophobicContact CH2-CZ3 3.7Å; W514-W800 HydrophobicContact CZ2-CE3 4.1Å; W514-W800 AromaticContact CZ2-CH2 3.67Å; W514-W800 HydrophobicContact CZ2-CH2 3.67Å; W514-W800 HydrophobicContact CZ2-CZ2 4.29Å; W514-W800 AromaticContact CZ2-CZ3 3.55Å; W514-W800 HydrophobicContact CZ2-CZ3 3.55Å
515	M	97.1	Very high	96.4	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.03	31%	0.307	C	S	.	.	S	Bend	trans	-88.4	146.6	174.3	-65.9	-178.3	85.2	0	0	111.9	F509 V512 D519 K520 A523 W660 T664 W800	F509-M515 HydrophobicContact CD1-SD 3.93Å; F509-M515 HydrophobicContact CE1-SD 4.19Å; V512-M515 HydrophobicContact CG1-CB 4.26Å; V512-M515 HydrophobicContact CG1-CG 3.66Å; V512-M515 HydrophobicContact CG1-SD 3.93Å; M515-D519 HydrophobicContact CE-CB 4.2Å; M515-K520 HydrophobicContact CB-CG 3.8Å; M515-K520 WeakPolarHBondContact O-CE 3.4Å; M515-K520 HydrophobicContact SD-CG 4.13Å; M515-A523 HydrophobicContact CE-CB 4.08Å; M515-W660 HydrophobicContact CE-CZ2 4.21Å; M515-T664 HydrophobicContact CB-CG2 4.33Å; M515-T664 HydrophobicContact CE-CG2 4.09Å; M515-T664 HydrophobicContact CG-CG2 4.03Å; M515-W800 HydrophobicContact CE-CZ3 4.48Å; M515-W800 HydrophobicContact SD-CH2 4.28Å; M515-W800 HydrophobicContact SD-CZ3 3.71Å
516	Q	97	Very high	96.5	Very high	95 Å²	95	59 Å²	59	44%	0.444	31%	0.306	S	S	.	.			trans	-68.9	144.3	166.5	-58.1	-55.5	-36.1	0	0	111.5	A518 D519 K520 S661 T664	Q516-A518 VanDerWaalsContact C-N 3.26Å; Q516-A518 PolarHBondContact O-N 3.05Å; Q516-D519 PolarHBondContact O-N 3.32Å; Q516-K520 PolarHBondContact O-N 3.18Å; Q516-S661 WeakPolarHBondContact CG-OG 3.38Å; Q516-T664 PolarHBondContact N-OG1 3.49Å; Q516-T664 VanDerWaalsContact N-OG1 3.13Å
517	E	96.6	Very high	96.6	Very high	128 Å²	128	56.4 Å²	56.4	60%	0.598	30%	0.295	S	S	*	.	H	α-helix	trans	-57.3	-36.9	-178.4	-65	-56.6	135.9	0	0	113.2	D519 K520 L521	E517-D519 VanDerWaalsContact C-N 3.29Å; E517-D519 PolarHBondContact O-N 3.27Å; E517-K520 PolarHBondContact O-N 3.24Å; E517-K520 IonicContact OE1-NZ 2.7Å; E517-K520 PolarHBondContact OE1-NZ 3.36Å; E517-K520 IonicContact OE2-NZ 3.85Å; E517-L521 PolarHBondContact O-N 2.87Å
518	A	96.8	Very high	96.7	Very high	63 Å²	63	55.6 Å²	55.6	52%	0.521	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-31.4	176	0	0	0	0	0	113.1	Q516 K522	Q516-A518 VanDerWaalsContact C-N 3.26Å; Q516-A518 PolarHBondContact O-N 3.05Å; A518-K522 WeakPolarHBondContact O-CG 3.42Å
519	D	97.7	Very high	96.7	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-82	-32.1	178.4	-64.5	-32.4	0	0	0	111.7	M515 Q516 E517 L521 K522 A523 W660 S661 T664	M515-D519 HydrophobicContact CE-CB 4.2Å; Q516-D519 PolarHBondContact O-N 3.32Å; E517-D519 VanDerWaalsContact C-N 3.29Å; E517-D519 PolarHBondContact O-N 3.27Å; D519-L521 VanDerWaalsContact C-N 3.28Å; D519-L521 PolarHBondContact O-N 3.43Å; D519-K522 PolarHBondContact O-N 3.14Å; D519-K522 IonicContact OD1-NZ 2.66Å; D519-K522 PolarHBondContact OD1-NZ 2.81Å; D519-A523 WeakPolarHBondContact O-CB 3.35Å; D519-A523 PolarHBondContact O-N 3.1Å; D519-W660 HydrophobicContact CB-CG 4.49Å; D519-S661 PolarHBondContact OD1-N 3.18Å; D519-S661 VanDerWaalsContact OD2-CB 3.31Å; D519-S661 WeakPolarHBondContact OD2-CB 3.46Å; D519-S661 PolarHBondContact OD2-N 2.93Å; D519-S661 PolarHBondContact OD2-OG 3.11Å; D519-T664 HydrophobicContact CB-CG2 4.16Å; D519-T664 VanDerWaalsContact OD2-CB 3.23Å; D519-T664 WeakPolarHBondContact OD2-CB 3.19Å; D519-T664 PolarHBondContact OD2-OG1 2.95Å
520	K	97.8	Very high	96.8	Very high	13 Å²	13	58 Å²	58	6%	0.057	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-41.4	169.9	-66.1	177	-174.1	176.9	0	111.8	F509 V512 M515 Q516 E517 A523 I524	F509-K520 WeakPolarHBondContact O-CD 3.14Å; F509-K520 WeakPolarHBondContact O-CE 3.37Å; V512-K520 WeakPolarHBondContact O-CE 3.36Å; V512-K520 PolarHBondContact O-NZ 3.24Å; M515-K520 HydrophobicContact CB-CG 3.8Å; M515-K520 WeakPolarHBondContact O-CE 3.4Å; M515-K520 HydrophobicContact SD-CG 4.13Å; Q516-K520 PolarHBondContact O-N 3.18Å; E517-K520 PolarHBondContact O-N 3.24Å; E517-K520 IonicContact OE1-NZ 2.7Å; E517-K520 PolarHBondContact OE1-NZ 3.36Å; E517-K520 IonicContact OE2-NZ 3.85Å; K520-A523 PolarHBondContact O-N 3.36Å; K520-I524 WeakPolarHBondContact O-CG1 3.32Å; K520-I524 PolarHBondContact O-N 3.02Å
521	L	97.1	Very high	96.9	Very high	123 Å²	123	57.8 Å²	57.8	64%	0.644	29%	0.294	S	S	*	.	H	α-helix	trans	-62.7	-41.9	177.6	-68.4	174.9	0	0	0	112.2	E517 D519 A523 I524 E525	E517-L521 PolarHBondContact O-N 2.87Å; D519-L521 VanDerWaalsContact C-N 3.28Å; D519-L521 PolarHBondContact O-N 3.43Å; L521-A523 VanDerWaalsContact C-N 3.34Å; L521-I524 PolarHBondContact O-N 2.93Å; L521-E525 PolarHBondContact O-N 3.48Å
522	K	97.7	Very high	97	Very high	74 Å²	74	57 Å²	57	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-65.9	-37.2	174.2	-56.7	168	-166.2	161.6	0	111.9	A518 D519 E525 K526 W659	A518-K522 WeakPolarHBondContact O-CG 3.42Å; D519-K522 PolarHBondContact O-N 3.14Å; D519-K522 IonicContact OD1-NZ 2.66Å; D519-K522 PolarHBondContact OD1-NZ 2.81Å; K522-E525 WeakPolarHBondContact O-CB 3.48Å; K522-E525 PolarHBondContact O-N 2.85Å; K522-K526 PolarHBondContact O-N 3.48Å; K522-W659 HydrophobicContact CB-CE3 3.66Å; K522-W659 HydrophobicContact CB-CZ3 3.76Å; K522-W659 HydrophobicContact CD-CE3 4.2Å; K522-W659 WeakPolarHBondContact CD-O 3.43Å; K522-W659 WeakPolarHBondContact CE-O 3.44Å; K522-W659 PolarHBondContact NZ-O 3.5Å
523	A	97.9	Very high	96.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68	-37.6	177.9	0	0	0	0	0	111.3	F509 M515 D519 K520 L521 K526 V527 F643 W659	F509-A523 HydrophobicContact CD1-CB 4.22Å; F509-A523 HydrophobicContact CE1-CB 3.62Å; F509-A523 HydrophobicContact CE2-CB 3.95Å; F509-A523 HydrophobicContact CZ-CB 3.46Å; F509-A523 VanDerWaalsContact CZ-CB 3.46Å; M515-A523 HydrophobicContact CE-CB 4.08Å; D519-A523 WeakPolarHBondContact O-CB 3.35Å; D519-A523 PolarHBondContact O-N 3.1Å; K520-A523 PolarHBondContact O-N 3.36Å; L521-A523 VanDerWaalsContact C-N 3.34Å; A523-K526 PolarHBondContact O-N 2.9Å; A523-V527 PolarHBondContact O-N 3.03Å; A523-V527 VanDerWaalsContact O-N 3.1Å; A523-F643 HydrophobicContact CB-CE1 3.86Å; A523-W659 HydrophobicContact CB-CH2 4.29Å; A523-W659 HydrophobicContact CB-CZ3 4.22Å
524	I	98.1	Very high	96.9	Very high	47 Å²	47	48.4 Å²	48.4	24%	0.241	26%	0.257	C	S	.	.	H	α-helix	trans	-61.2	-46.3	169.3	-70.9	164.1	0	0	0	111	K506 F509 K520 L521 K526 V527 D528	K506-I524 HydrophobicContact CD-CG2 4.3Å; K506-I524 HydrophobicContact CG-CG2 4.48Å; F509-I524 HydrophobicContact CD2-CG1 3.67Å; F509-I524 HydrophobicContact CE2-CG1 4.31Å; F509-I524 HydrophobicContact CG-CG1 4.43Å; K520-I524 WeakPolarHBondContact O-CG1 3.32Å; K520-I524 PolarHBondContact O-N 3.02Å; L521-I524 PolarHBondContact O-N 2.93Å; I524-K526 VanDerWaalsContact C-N 3.28Å; I524-K526 PolarHBondContact O-N 3.24Å; I524-V527 PolarHBondContact O-N 3.32Å; I524-V527 VanDerWaalsContact O-N 3.14Å; I524-D528 PolarHBondContact O-N 3.5Å
525	E	97.9	Very high	96.8	Very high	111 Å²	111	46.2 Å²	46.2	52%	0.519	25%	0.248	S	C	.	.	H	α-helix	trans	-57.3	-40.1	175	-174.5	-173.4	173.2	0	0	111.9	L521 K522 D528 S529 A652	L521-E525 PolarHBondContact O-N 3.48Å; K522-E525 WeakPolarHBondContact O-CB 3.48Å; K522-E525 PolarHBondContact O-N 2.85Å; E525-D528 PolarHBondContact O-N 3.49Å; E525-S529 WeakPolarHBondContact O-CB 3.24Å; E525-S529 PolarHBondContact O-N 2.65Å; E525-S529 PolarHBondContact O-OG 3.1Å; E525-A652 HydrophobicContact CG-CB 4.13Å
526	K	98.3	Very high	96.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-40.9	175.2	-176	168.6	-168	-170.3	0	112.7	K522 A523 I524 S529 M530 Y599 N604 A642 F643 G647 F650 A652 W659	K522-K526 PolarHBondContact O-N 3.48Å; A523-K526 PolarHBondContact O-N 2.9Å; I524-K526 VanDerWaalsContact C-N 3.28Å; I524-K526 PolarHBondContact O-N 3.24Å; K526-S529 WeakPolarHBondContact CA-OG 3.33Å; K526-S529 PolarHBondContact O-OG 2.97Å; K526-S529 VanDerWaalsContact O-OG 3.11Å; K526-M530 PolarHBondContact O-N 2.77Å; K526-Y599 WeakPolarHBondContact CE-OH 3.43Å; K526-Y599 PolarHBondContact NZ-OH 3.42Å; K526-N604 PolarHBondContact O-ND2 3.22Å; K526-A642 PolarHBondContact NZ-O 3.19Å; K526-F643 HydrophobicContact CB-CE1 4.15Å; K526-F643 HydrophobicContact CB-CZ 3.98Å; K526-F643 HydrophobicContact CD-CE1 3.94Å; K526-F643 HydrophobicContact CD-CZ 4.06Å; K526-F643 HydrophobicContact CG-CE1 4.24Å; K526-F643 HydrophobicContact CG-CZ 3.95Å; K526-G647 PolarHBondContact NZ-O 3.09Å; K526-F650 WeakPolarHBondContact CE-O 3.31Å; K526-F650 PolarHBondContact NZ-O 2.97Å; K526-A652 HydrophobicContact CB-CB 4.14Å; K526-W659 HydrophobicContact CD-CH2 4.12Å; K526-W659 HydrophobicContact CD-CZ2 4.02Å
527	V	98.3	Very high	96.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69	-39.2	173.7	-174	0	0	0	0	111.3	K502 F505 K506 F509 A523 I524 S529 M530 F643	K502-V527 HydrophobicContact CB-CG1 4.1Å; K502-V527 WeakPolarHBondContact CE-O 3.34Å; K502-V527 HydrophobicContact CG-CG1 4.25Å; K502-V527 PolarHBondContact NZ-O 3.19Å; F505-V527 HydrophobicContact CD1-CG2 3.89Å; F505-V527 HydrophobicContact CE1-CG2 4.21Å; K506-V527 HydrophobicContact CD-CB 4.08Å; K506-V527 HydrophobicContact CD-CG1 4.03Å; K506-V527 HydrophobicContact CG-CB 3.69Å; K506-V527 HydrophobicContact CG-CG1 3.73Å; K506-V527 HydrophobicContact CG-CG2 4.17Å; F509-V527 HydrophobicContact CE2-CG2 3.98Å; F509-V527 HydrophobicContact CZ-CG2 4.48Å; A523-V527 PolarHBondContact O-N 3.03Å; A523-V527 VanDerWaalsContact O-N 3.1Å; I524-V527 PolarHBondContact O-N 3.32Å; I524-V527 VanDerWaalsContact O-N 3.14Å; V527-S529 PolarHBondContact O-N 3.02Å; V527-M530 WeakPolarHBondContact O-CB 3.49Å; V527-M530 PolarHBondContact O-N 3.36Å; V527-F643 HydrophobicContact CG2-CE2 3.67Å; V527-F643 HydrophobicContact CG2-CZ 3.55Å
528	D	97.7	Very high	96.1	Very high	90 Å²	90	47.1 Å²	47.1	48%	0.481	25%	0.252	S	S	.	.	H	α-helix	trans	-64.9	-41.3	-179.9	-80.8	-38.5	0	0	0	112.6	K506 I524 E525 M530	K506-D528 WeakPolarHBondContact CD-OD1 3.44Å; K506-D528 IonicContact NZ-OD1 2.79Å; K506-D528 PolarHBondContact NZ-OD1 2.78Å; K506-D528 IonicContact NZ-OD2 2.74Å; K506-D528 PolarHBondContact NZ-OD2 2.64Å; I524-D528 PolarHBondContact O-N 3.5Å; E525-D528 PolarHBondContact O-N 3.49Å; D528-M530 VanDerWaalsContact C-N 3.3Å; D528-M530 PolarHBondContact O-N 3Å
529	S	97.1	Very high	95.8	Very high	54 Å²	54	48 Å²	48	38%	0.378	25%	0.248	S	C	.	.	H	α-helix	trans	-73.1	-15.9	175.5	51.1	0	0	0	0	114.5	E525 K526 V527 K531 N604 A652	E525-S529 WeakPolarHBondContact O-CB 3.24Å; E525-S529 PolarHBondContact O-N 2.65Å; E525-S529 PolarHBondContact O-OG 3.1Å; K526-S529 WeakPolarHBondContact CA-OG 3.33Å; K526-S529 PolarHBondContact O-OG 2.97Å; K526-S529 VanDerWaalsContact O-OG 3.11Å; V527-S529 PolarHBondContact O-N 3.02Å; S529-K531 PolarHBondContact O-N 3.11Å; S529-N604 PolarHBondContact OG-ND2 3.15Å; S529-A652 PolarHBondContact OG-O 3.48Å; S529-A652 VanDerWaalsContact OG-O 3.12Å
530	M	97.5	Very high	95.5	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.03	25%	0.25	C	S	.	.			trans	-62.1	119.3	-176.9	-179.7	-171.5	-74.8	0	0	112.3	K502 K526 V527 D528 Y599 N604 I606 I639 A642	K502-M530 PolarHBondContact NZ-O 2.83Å; K526-M530 PolarHBondContact O-N 2.77Å; V527-M530 WeakPolarHBondContact O-CB 3.49Å; V527-M530 PolarHBondContact O-N 3.36Å; D528-M530 VanDerWaalsContact C-N 3.3Å; D528-M530 PolarHBondContact O-N 3Å; M530-Y599 HydrophobicContact CE-CE2 4.21Å; M530-N604 CarbonylContact C-O 3.52Å; M530-N604 VanDerWaalsContact CA-O 3.22Å; M530-N604 WeakPolarHBondContact CA-O 3.39Å; M530-I606 HydrophobicContact CG-CG2 4.43Å; M530-I606 HydrophobicContact SD-CD1 3.98Å; M530-I606 HydrophobicContact SD-CG1 4.36Å; M530-I606 HydrophobicContact SD-CG2 3.86Å; M530-I639 HydrophobicContact CE-CG2 4.29Å; M530-I639 HydrophobicContact SD-CB 4.39Å; M530-I639 HydrophobicContact SD-CG1 3.91Å; M530-I639 HydrophobicContact SD-CG2 4.41Å; M530-A642 HydrophobicContact CE-CB 3.39Å
531	K	95.5	Very high	95.1	Very high	82 Å²	82	52.6 Å²	52.6	36%	0.357	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	152.8	177.1	-60.7	-179	-169.7	-179.6	0	111.1	S529 D586 N604 H605 I606	S529-K531 PolarHBondContact O-N 3.11Å; K531-D586 IonicContact NZ-OD1 2.67Å; K531-D586 PolarHBondContact NZ-OD1 3.16Å; K531-D586 IonicContact NZ-OD2 3.5Å; K531-D586 PolarHBondContact NZ-OD2 2.92Å; K531-N604 PolarHBondContact N-O 2.94Å; K531-H605 HydrophobicContact CB-CB 4.06Å; K531-H605 WeakPolarHBondContact O-CA 3.41Å; K531-H605 PolarHBondContact O-CD2 3.32Å; K531-I606 WeakPolarHBondContact O-CG1 3.1Å; K531-I606 PolarHBondContact O-N 3.2Å
532	A	94.2	Very high	94.9	Very high	48 Å²	48	50.4 Å²	50.4	40%	0.397	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.5	175.2	0	0	0	0	0	111.4	I498 I606	I498-A532 HydrophobicContact CG2-CB 4.13Å; A532-I606 CarbonylContact C-O 3.4Å; A532-I606 WeakPolarHBondContact CA-O 3.15Å; A532-I606 HydrophobicContact CB-CD1 4.33Å; A532-I606 HydrophobicContact CB-CG1 3.93Å
533	S	94	Very high	94.7	Very high	16 Å²	16	49.6 Å²	49.6	11%	0.112	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	113.8	179.1	-98	0	0	0	0	110.1	W588 H605 I606 F607 F608	S533-W588 PolarHBondContact OG-NE1 3.03Å; S533-W588 VanDerWaalsContact OG-NE1 3.12Å; S533-H605 VanDerWaalsContact CB-NE2 3.27Å; S533-H605 WeakPolarHBondContact CB-NE2 3.49Å; S533-H605 PolarHBondContact OG-NE2 3.25Å; S533-I606 PolarHBondContact N-O 2.87Å; S533-F607 VanDerWaalsContact CB-CD1 3.47Å; S533-F607 WeakPolarHBondContact O-CA 3.4Å; S533-F608 PolarHBondContact O-N 2.98Å
534	V	94.5	Very high	94.5	Very high	11 Å²	11	54.4 Å²	54.4	7%	0.067	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.4	-165.2	-169.2	0	0	0	0	111.4	K491 A494 I498 Y536 L613	K491-V534 VanDerWaalsContact CD-O 3.28Å; K491-V534 WeakPolarHBondContact CD-O 3.41Å; K491-V534 WeakPolarHBondContact CE-O 3.46Å; K491-V534 HydrophobicContact CG-CB 4.36Å; K491-V534 HydrophobicContact CG-CG1 4.15Å; K491-V534 PolarHBondContact NZ-O 2.83Å; A494-V534 HydrophobicContact CB-CG1 3.82Å; I498-V534 HydrophobicContact CD1-CG1 4.47Å; I498-V534 HydrophobicContact CD1-CG2 3.47Å; I498-V534 VanDerWaalsContact CD1-CG2 3.47Å; V534-Y536 VanDerWaalsContact C-N 3.25Å; V534-Y536 PolarHBondContact O-N 2.98Å; V534-L613 HydrophobicContact CG1-CD1 3.85Å
535	G	94.4	Very high	94	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.4	-72.4	-177.9	0	0	0	0	0	112.9	F608 P609 A610	G535-F608 WeakPolarHBondContact CA-O 3.49Å; G535-F608 PolarHBondContact N-O 2.66Å; G535-P609 CarbonylContact O-C 3.49Å; G535-A610 WeakPolarHBondContact O-CB 3.47Å; G535-A610 PolarHBondContact O-N 3.21Å
536	Y	94.3	Very high	93.7	Very high	43 Å²	43	50.3 Å²	50.3	17%	0.169	27%	0.272	C	S	.	.	S	Bend	trans	-162.6	155	-168.7	61.9	-90.5	0	0	0	112.2	V482 F486 Q488 K491 V534 I540	V482-Y536 HydrophobicContact CB-CD1 4.41Å; V482-Y536 HydrophobicContact CG1-CD1 3.51Å; V482-Y536 HydrophobicContact CG1-CD2 4.13Å; V482-Y536 HydrophobicContact CG1-CE1 3.61Å; V482-Y536 HydrophobicContact CG1-CE2 4.2Å; V482-Y536 HydrophobicContact CG1-CG 3.8Å; V482-Y536 HydrophobicContact CG2-CD1 3.9Å; V482-Y536 HydrophobicContact CG2-CG 3.99Å; F486-Y536 HydrophobicContact CD1-CD1 4.01Å; F486-Y536 AromaticContact CD1-CE1 3.86Å; F486-Y536 HydrophobicContact CD1-CE1 3.86Å; F486-Y536 HydrophobicContact CE1-CD1 4.01Å; F486-Y536 AromaticContact CE1-CE1 3.84Å; F486-Y536 HydrophobicContact CE1-CE1 3.84Å; Q488-Y536 PolarHBondContact OE1-OH 3.35Å; K491-Y536 HydrophobicContact CD-CD1 4.13Å; K491-Y536 HydrophobicContact CD-CE1 3.74Å; K491-Y536 PolarHBondContact NZ-O 3.02Å; V534-Y536 VanDerWaalsContact C-N 3.25Å; V534-Y536 PolarHBondContact O-N 2.98Å; Y536-I540 HydrophobicContact CD2-CB 4.32Å; Y536-I540 HydrophobicContact CD2-CG2 3.49Å; Y536-I540 VanDerWaalsContact CD2-CG2 3.49Å; Y536-I540 HydrophobicContact CE2-CG2 4Å; Y536-I540 HydrophobicContact CG-CG2 4.34Å
537	P	92.4	Very high	93.4	Very high	15 Å²	15	53 Å²	53	10%	0.097	29%	0.286	C	S	.	.			trans	-74	148.2	178.8	31.6	-34.7	0	0	0	111.5	M475 N539 I540 W588	M475-P537 HydrophobicContact CE-CG 3.93Å; P537-N539 WeakPolarHBondContact CB-OD1 3.44Å; P537-N539 PolarHBondContact O-N 3.48Å; P537-N539 VanDerWaalsContact O-N 3.14Å; P537-I540 HydrophobicContact CG-CB 4.26Å; P537-I540 WeakPolarHBondContact O-CB 3.42Å; P537-I540 PolarHBondContact O-N 3.15Å; P537-W588 HydrophobicContact CB-CB 4.46Å; P537-W588 HydrophobicContact CB-CD2 4.04Å; P537-W588 HydrophobicContact CB-CG 3.87Å; P537-W588 HydrophobicContact CG-CB 4.24Å; P537-W588 HydrophobicContact CG-CD2 4.06Å; P537-W588 HydrophobicContact CG-CE3 4.47Å; P537-W588 HydrophobicContact CG-CG 4Å
538	Q	89.3	Confident	92.9	Very high	191 Å²	191	58.3 Å²	58.3	89%	0.893	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-30.1	-173.7	-69.2	-168.7	-0.2	0	0	113.9	I540	Q538-I540 VanDerWaalsContact C-N 3.31Å; Q538-I540 PolarHBondContact O-N 2.9Å
539	N	89.4	Confident	92.3	Very high	82 Å²	82	57 Å²	57	44%	0.439	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	8	180	66	-20.4	0	0	0	114	P537 N541 N542	P537-N539 WeakPolarHBondContact CB-OD1 3.44Å; P537-N539 PolarHBondContact O-N 3.48Å; P537-N539 VanDerWaalsContact O-N 3.14Å; N539-N541 PolarHBondContact O-N 2.99Å; N539-N541 VanDerWaalsContact O-N 3.1Å; N539-N542 HydrophobicContact CB-CB 4.42Å; N539-N542 WeakPolarHBondContact O-CB 3.04Å; N539-N542 PolarHBondContact O-N 3.39Å
540	I	92.1	Very high	92	Very high	11 Å²	11	55 Å²	55	6%	0.056	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-34.9	-174	-164.6	166.2	0	0	0	113.3	M475 R479 V482 Y536 P537 Q538 N542 V592	M475-I540 HydrophobicContact CE-CD1 4.43Å; R479-I540 HydrophobicContact CB-CD1 4.26Å; R479-I540 HydrophobicContact CB-CG1 3.9Å; R479-I540 VanDerWaalsContact CD-O 3.23Å; R479-I540 WeakPolarHBondContact CD-O 3.44Å; R479-I540 HydrophobicContact CG-CG1 4.3Å; V482-I540 HydrophobicContact CG2-CD1 4.22Å; Y536-I540 HydrophobicContact CD2-CB 4.32Å; Y536-I540 HydrophobicContact CD2-CG2 3.49Å; Y536-I540 VanDerWaalsContact CD2-CG2 3.49Å; Y536-I540 HydrophobicContact CE2-CG2 4Å; Y536-I540 HydrophobicContact CG-CG2 4.34Å; P537-I540 HydrophobicContact CG-CB 4.26Å; P537-I540 WeakPolarHBondContact O-CB 3.42Å; P537-I540 PolarHBondContact O-N 3.15Å; Q538-I540 VanDerWaalsContact C-N 3.31Å; Q538-I540 PolarHBondContact O-N 2.9Å; I540-N542 VanDerWaalsContact C-N 3.28Å; I540-N542 PolarHBondContact O-N 2.97Å; I540-V592 HydrophobicContact CD1-CG1 4.24Å; I540-V592 HydrophobicContact CD1-CG2 3.59Å
541	N	90.5	Very high	91.5	Very high	101 Å²	101	58.3 Å²	58.3	54%	0.54	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	4.2	179.2	-65.7	-29.7	0	0	0	114	N539 I543	N539-N541 PolarHBondContact O-N 2.99Å; N539-N541 VanDerWaalsContact O-N 3.1Å; N541-I543 PolarHBondContact O-N 3.22Å; N541-I543 VanDerWaalsContact O-N 3.14Å
542	N	92.9	Very high	90.9	Very high	77 Å²	77	58.8 Å²	58.8	41%	0.412	31%	0.308	S	S	.	.			trans	-84.5	86.5	-179.9	-171.8	-16.3	0	0	0	110.9	N539 I540 T544 N545 E546	N539-N542 HydrophobicContact CB-CB 4.42Å; N539-N542 WeakPolarHBondContact O-CB 3.04Å; N539-N542 PolarHBondContact O-N 3.39Å; I540-N542 VanDerWaalsContact C-N 3.28Å; I540-N542 PolarHBondContact O-N 2.97Å; N542-T544 PolarHBondContact O-N 3.02Å; N542-T544 WeakPolarHBondContact OD1-CB 3.29Å; N542-T544 PolarHBondContact OD1-N 2.91Å; N542-N545 HydrophobicContact CB-CB 4.11Å; N542-N545 WeakPolarHBondContact O-CA 2.87Å; N542-N545 WeakPolarHBondContact O-CB 3.4Å; N542-N545 PolarHBondContact O-N 3.26Å; N542-N545 PolarHBondContact OD1-N 3.31Å; N542-E546 PolarHBondContact O-N 2.84Å
543	I	92.8	Very high	90.8	Very high	57 Å²	57	57 Å²	57	29%	0.292	29%	0.292	S	S	.	.	H	α-helix	trans	-56.1	-31.6	178.5	-53.7	-57	0	0	0	112.6	N541 N545 E546 N547	N541-I543 PolarHBondContact O-N 3.22Å; N541-I543 VanDerWaalsContact O-N 3.14Å; I543-N545 VanDerWaalsContact C-N 3.28Å; I543-N545 PolarHBondContact O-N 2.96Å; I543-E546 PolarHBondContact O-N 3.38Å; I543-N547 WeakPolarHBondContact O-CB 3.47Å; I543-N547 PolarHBondContact O-N 2.9Å; I543-N547 PolarHBondContact O-ND2 3.05Å
544	T	93.2	Very high	90.8	Very high	101 Å²	101	59.4 Å²	59.4	62%	0.62	31%	0.306	S	S	*	.	H	α-helix	trans	-68	-28.1	175.1	-54.1	0	0	0	0	112.2	N542 K548	N542-T544 PolarHBondContact O-N 3.02Å; N542-T544 WeakPolarHBondContact OD1-CB 3.29Å; N542-T544 PolarHBondContact OD1-N 2.91Å; T544-K548 WeakPolarHBondContact O-CG 3.42Å
545	N	87.9	Confident	90.9	Very high	48 Å²	48	64.7 Å²	64.7	26%	0.257	33%	0.333	S	S	.	.	H	α-helix	trans	-81.4	-45.7	172.1	-153.9	68.8	0	0	0	111.3	N542 I543 N547 K548	N542-N545 HydrophobicContact CB-CB 4.11Å; N542-N545 WeakPolarHBondContact O-CA 2.87Å; N542-N545 WeakPolarHBondContact O-CB 3.4Å; N542-N545 PolarHBondContact O-N 3.26Å; N542-N545 PolarHBondContact OD1-N 3.31Å; I543-N545 VanDerWaalsContact C-N 3.28Å; I543-N545 PolarHBondContact O-N 2.96Å; N545-N547 VanDerWaalsContact C-N 3.31Å; N545-N547 PolarHBondContact O-N 2.83Å; N545-K548 WeakPolarHBondContact O-CB 3.43Å; N545-K548 PolarHBondContact O-N 3.17Å
546	E	91.2	Very high	91	Very high	23 Å²	23	65.3 Å²	65.3	11%	0.107	34%	0.337	C	S	.	.	H	α-helix	trans	-50.3	-50	174.6	-179.8	177.5	102	0	0	111.7	S183 V476 R479 N542 I543 K548 E549 F550	S183-E546 VanDerWaalsContact CB-OE1 3.28Å; S183-E546 WeakPolarHBondContact CB-OE1 3.4Å; S183-E546 PolarHBondContact OG-OE1 2.97Å; V476-E546 HydrophobicContact CG2-CG 4.2Å; R479-E546 IonicContact CZ-OE1 2.65Å; R479-E546 IonicContact CZ-OE2 3.48Å; R479-E546 IonicContact NE-OE1 3.73Å; R479-E546 IonicContact NE-OE2 2.7Å; R479-E546 PolarHBondContact NE-OE2 2.87Å; R479-E546 IonicContact NH2-OE1 2.68Å; R479-E546 PolarHBondContact NH2-OE1 2.97Å; R479-E546 IonicContact NH2-OE2 2.74Å; R479-E546 PolarHBondContact NH2-OE2 3.49Å; N542-E546 PolarHBondContact O-N 2.84Å; I543-E546 PolarHBondContact O-N 3.38Å; E546-K548 PolarHBondContact O-N 2.79Å; E546-K548 VanDerWaalsContact O-N 3.14Å; E546-E549 PolarHBondContact O-N 3.48Å; E546-F550 HydrophobicContact CG-CD2 4.26Å; E546-F550 HydrophobicContact CG-CE2 3.78Å; E546-F550 WeakPolarHBondContact O-CD2 3.39Å
547	N	91.7	Very high	91.2	Very high	56 Å²	56	67.3 Å²	67.3	30%	0.299	35%	0.35	S	S	.	.	H	α-helix	trans	-64	-18.6	-178.9	-76.4	-25.4	0	0	0	114.5	R184 I543 N545 S551	R184-N547 WeakPolarHBondContact CB-OD1 3.47Å; R184-N547 PolarHBondContact N-OD1 3.27Å; I543-N547 WeakPolarHBondContact O-CB 3.47Å; I543-N547 PolarHBondContact O-N 2.9Å; I543-N547 PolarHBondContact O-ND2 3.05Å; N545-N547 VanDerWaalsContact C-N 3.31Å; N545-N547 PolarHBondContact O-N 2.83Å; N547-S551 PolarHBondContact O-N 2.68Å
548	K	87.6	Confident	91.4	Very high	112 Å²	112	70.6 Å²	70.6	49%	0.487	36%	0.364	S	S	.	.	H	α-helix	trans	-71.6	-37.7	176.8	-70.5	171.4	-172.7	173.2	0	111.9	T544 N545 E546 F550 S551	T544-K548 WeakPolarHBondContact O-CG 3.42Å; N545-K548 WeakPolarHBondContact O-CB 3.43Å; N545-K548 PolarHBondContact O-N 3.17Å; E546-K548 PolarHBondContact O-N 2.79Å; E546-K548 VanDerWaalsContact O-N 3.14Å; K548-F550 PolarHBondContact O-N 3.49Å; K548-S551 WeakPolarHBondContact O-CB 3.41Å; K548-S551 PolarHBondContact O-N 2.89Å; K548-S551 PolarHBondContact O-OG 3.48Å
549	E	84.9	Confident	91.9	Very high	62 Å²	62	64.5 Å²	64.5	29%	0.29	34%	0.343	S	S	.	.	H	α-helix	trans	-69.7	-23.6	179.1	-41.7	-49.6	176.8	0	0	111.4	E546 S551 R578	E546-E549 PolarHBondContact O-N 3.48Å; E549-S551 VanDerWaalsContact C-N 3.34Å; E549-R578 IonicContact OE2-CZ 3.7Å; E549-R578 IonicContact OE2-NH1 2.73Å; E549-R578 PolarHBondContact OE2-NH1 3.38Å; E549-R578 IonicContact OE2-NH2 3.46Å; E549-R578 PolarHBondContact OE2-NH2 3.09Å
550	F	90.9	Very high	92.3	Very high	14 Å²	14	62.2 Å²	62.2	6%	0.061	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	10.5	172.5	-54.8	-64.8	0	0	0	114.3	R184 L188 F473 V476 E546 K548 F553	R184-F550 HydrophobicContact CB-CB 4.37Å; R184-F550 WeakPolarHBondContact CD-O 3.39Å; R184-F550 HydrophobicContact CG-CB 3.95Å; R184-F550 PolarHBondContact NE-O 2.68Å; L188-F550 HydrophobicContact CD1-CB 4.07Å; L188-F550 HydrophobicContact CD1-CD1 4.28Å; L188-F550 HydrophobicContact CD1-CG 4.37Å; F473-F550 HydrophobicContact CD1-CD1 4.15Å; F473-F550 AromaticContact CD1-CE1 3.46Å; F473-F550 HydrophobicContact CD1-CE1 3.46Å; F473-F550 VanDerWaalsContact CD1-CE1 3.46Å; F473-F550 AromaticContact CD1-CZ 3.96Å; F473-F550 HydrophobicContact CD1-CZ 3.96Å; F473-F550 AromaticContact CE1-CD1 3.86Å; F473-F550 HydrophobicContact CE1-CD1 3.86Å; F473-F550 AromaticContact CE1-CE1 3.61Å; F473-F550 HydrophobicContact CE1-CE1 3.61Å; F473-F550 HydrophobicContact CE1-CZ 4.49Å; V476-F550 HydrophobicContact CG2-CE2 3.54Å; V476-F550 HydrophobicContact CG2-CZ 3.52Å; E546-F550 HydrophobicContact CG-CD2 4.26Å; E546-F550 HydrophobicContact CG-CE2 3.78Å; E546-F550 WeakPolarHBondContact O-CD2 3.39Å; K548-F550 PolarHBondContact O-N 3.49Å; F550-F553 HydrophobicContact CB-CD2 4.43Å; F550-F553 AromaticContact CD1-CD2 3.75Å; F550-F553 HydrophobicContact CD1-CD2 3.75Å; F550-F553 AromaticContact CD1-CE2 3.72Å; F550-F553 HydrophobicContact CD1-CE2 3.72Å; F550-F553 HydrophobicContact CD1-CG 4.16Å; F550-F553 HydrophobicContact CD1-CZ 4.12Å; F550-F553 HydrophobicContact CE1-CE2 4.1Å; F550-F553 HydrophobicContact CE1-CZ 4.2Å; F550-F553 PolarHBondContact O-N 2.87Å
551	S	87	Confident	92.5	Very high	74 Å²	74	61.8 Å²	61.8	52%	0.517	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-27.8	179.2	65	0	0	0	0	113.8	N547 K548 E549	N547-S551 PolarHBondContact O-N 2.68Å; K548-S551 WeakPolarHBondContact O-CB 3.41Å; K548-S551 PolarHBondContact O-N 2.89Å; K548-S551 PolarHBondContact O-OG 3.48Å; E549-S551 VanDerWaalsContact C-N 3.34Å
552	Y	84.3	Confident	92.9	Very high	93 Å²	93	57.3 Å²	57.3	37%	0.365	31%	0.305	S	S	.	.	S	Bend	trans	-89.4	-10.1	175.3	-58.7	-77.8	0	0	0	113.7	L383 V554	L383-Y552 HydrophobicContact CD2-CD1 4.32Å; L383-Y552 HydrophobicContact CD2-CE1 3.94Å; L383-Y552 HydrophobicContact CD2-CE2 4.48Å; Y552-V554 PolarHBondContact O-N 3.12Å
553	F	91.8	Very high	93.1	Very high	10 Å²	10	55 Å²	55	4%	0.044	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-72.1	128.7	173.2	-79.5	-110.4	0	0	0	109.7	R184 L188 P472 F473 F550 C568 A571	R184-F553 PolarHBondContact NH2-O 3.4Å; L188-F553 HydrophobicContact CD1-CB 3.84Å; L188-F553 HydrophobicContact CD1-CD1 4.34Å; L188-F553 HydrophobicContact CD1-CG 4.25Å; P472-F553 HydrophobicContact CB-CE1 4.1Å; P472-F553 HydrophobicContact CB-CZ 4.13Å; F473-F553 HydrophobicContact CE1-CD1 4.23Å; F473-F553 AromaticContact CE1-CE1 3.89Å; F473-F553 HydrophobicContact CE1-CE1 3.89Å; F473-F553 HydrophobicContact CE1-CZ 4.43Å; F473-F553 HydrophobicContact CZ-CD1 4.14Å; F473-F553 AromaticContact CZ-CE1 3.81Å; F473-F553 HydrophobicContact CZ-CE1 3.81Å; F550-F553 HydrophobicContact CB-CD2 4.43Å; F550-F553 AromaticContact CD1-CD2 3.75Å; F550-F553 HydrophobicContact CD1-CD2 3.75Å; F550-F553 AromaticContact CD1-CE2 3.72Å; F550-F553 HydrophobicContact CD1-CE2 3.72Å; F550-F553 HydrophobicContact CD1-CG 4.16Å; F550-F553 HydrophobicContact CD1-CZ 4.12Å; F550-F553 HydrophobicContact CE1-CE2 4.1Å; F550-F553 HydrophobicContact CE1-CZ 4.2Å; F550-F553 PolarHBondContact O-N 2.87Å; F553-C568 HydrophobicContact CE1-CB 4.42Å; F553-A571 HydrophobicContact CD1-CB 3.89Å; F553-A571 HydrophobicContact CD2-CB 3.47Å; F553-A571 VanDerWaalsContact CD2-CB 3.47Å; F553-A571 HydrophobicContact CE1-CB 3.84Å; F553-A571 HydrophobicContact CE2-CB 3.42Å; F553-A571 VanDerWaalsContact CE2-CB 3.42Å; F553-A571 HydrophobicContact CG-CB 3.73Å; F553-A571 HydrophobicContact CZ-CB 3.61Å
554	V	94.1	Very high	93.4	Very high	67 Å²	67	52.3 Å²	52.3	41%	0.406	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-69.3	158.9	164.1	-59.8	0	0	0	0	110.4	Y552 H567	Y552-V554 PolarHBondContact O-N 3.12Å; V554-H567 HydrophobicContact CG2-CB 3.7Å; V554-H567 VanDerWaalsContact CG2-CG 3.41Å
555	D	95.9	Very high	93.6	Very high	121 Å²	121	47.5 Å²	47.5	65%	0.647	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-66.7	135.2	172.6	-60.3	-34.4	0	0	0	110.4	R184	R184-D555 IonicContact CZ-OD1 2.76Å; R184-D555 VanDerWaalsContact CZ-OD1 3.23Å; R184-D555 IonicContact NH1-OD1 3.53Å; R184-D555 PolarHBondContact NH1-OD1 3.34Å; R184-D555 IonicContact NH2-OD1 3.18Å; R184-D555 PolarHBondContact NH2-OD1 2.99Å
556	L	97.6	Very high	94	Very high	14 Å²	14	45.4 Å²	45.4	7%	0.073	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-93.4	164.1	-178.6	-57.3	-177.3	0	0	0	111.2	L188 I191 Y192 F473 N564 H567	L188-L556 HydrophobicContact CB-CD1 4.32Å; L188-L556 HydrophobicContact CD2-CB 4.37Å; L188-L556 HydrophobicContact CD2-CD1 4.25Å; L188-L556 HydrophobicContact CD2-CG 3.86Å; I191-L556 HydrophobicContact CB-CB 4.36Å; I191-L556 HydrophobicContact CG2-CB 3.65Å; Y192-L556 HydrophobicContact CG-CD1 4.44Å; F473-L556 HydrophobicContact CZ-CD1 4.27Å; L556-N564 HydrophobicContact CD1-CB 4.41Å; L556-N564 HydrophobicContact CD2-CB 3.97Å; L556-H567 HydrophobicContact CD2-CB 4.11Å
557	N	98.1	Very high	94.2	Very high	84 Å²	84	46.4 Å²	46.4	45%	0.449	24%	0.242	S	C	.	.			trans	-133.8	135.1	178.3	-176.8	-66.5	0	0	0	112.2	S559 T560 N564	N557-S559 PolarHBondContact O-N 3.26Å; N557-S559 WeakPolarHBondContact OD1-CB 3.43Å; N557-S559 PolarHBondContact OD1-N 2.88Å; N557-T560 HydrophobicContact CB-CG2 4.49Å; N557-T560 WeakPolarHBondContact CB-OG1 3.37Å; N557-T560 PolarHBondContact O-N 3.5Å; N557-T560 PolarHBondContact O-OG1 3.1Å; N557-N564 PolarHBondContact N-OD1 3.37Å; N557-N564 PolarHBondContact O-ND2 3.42Å
558	E	97.1	Very high	94.4	Very high	85 Å²	85	43.9 Å²	43.9	40%	0.397	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.3	-176.6	-63.9	-165.2	154.5	0	0	114.3	I191 N194 S195	I191-E558 HydrophobicContact CG2-CG 4.03Å; N194-E558 HydrophobicContact CB-CG 4.09Å; N194-E558 WeakPolarHBondContact CB-OE1 3.44Å; N194-E558 PolarHBondContact ND2-OE1 3.49Å; S195-E558 VanDerWaalsContact CA-O 3.27Å; S195-E558 WeakPolarHBondContact CA-O 3.48Å; S195-E558 WeakPolarHBondContact CB-O 3.26Å
559	S	97.9	Very high	94.7	Very high	62 Å²	62	39.4 Å²	39.4	43%	0.434	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-4.1	177.3	-56.3	0	0	0	0	114.5	V201 N557	V201-S559 WeakPolarHBondContact CG1-O 3.41Å; N557-S559 PolarHBondContact O-N 3.26Å; N557-S559 WeakPolarHBondContact OD1-CB 3.43Å; N557-S559 PolarHBondContact OD1-N 2.88Å
560	T	97.8	Very high	95.2	Very high	35 Å²	35	37.9 Å²	37.9	22%	0.215	20%	0.204	C	C	.	.			trans	-125.1	50.6	-166.7	61	0	0	0	0	114.2	N557 F562 E563 N564	N557-T560 HydrophobicContact CB-CG2 4.49Å; N557-T560 WeakPolarHBondContact CB-OG1 3.37Å; N557-T560 PolarHBondContact O-N 3.5Å; N557-T560 PolarHBondContact O-OG1 3.1Å; T560-F562 PolarHBondContact O-N 2.99Å; T560-E563 WeakPolarHBondContact CB-OE2 3.36Å; T560-E563 PolarHBondContact O-N 2.95Å; T560-E563 VanDerWaalsContact O-N 3.15Å; T560-N564 WeakPolarHBondContact O-CB 3.36Å; T560-N564 PolarHBondContact O-N 2.94Å; T560-N564 PolarHBondContact O-ND2 2.92Å; T560-N564 PolarHBondContact O-OD1 3.32Å; T560-N564 PolarHBondContact OG1-OD1 3.47Å
561	Y	98.1	Very high	95.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-49.4	-48.5	-177.7	177.3	-131.5	0	0	0	114.7	Y192 S195 C196 I202 R436 E468 E563 N564 A565	Y192-Y561 HydrophobicContact CD2-CD2 4.25Å; Y192-Y561 HydrophobicContact CD2-CE2 4.42Å; Y192-Y561 AromaticContact CE2-CD2 3.68Å; Y192-Y561 HydrophobicContact CE2-CD2 3.68Å; Y192-Y561 AromaticContact CE2-CE2 3.6Å; Y192-Y561 HydrophobicContact CE2-CE2 3.6Å; Y192-Y561 AromaticContact CZ-CE2 3.89Å; S195-Y561 WeakPolarHBondContact O-CB 3.29Å; C196-Y561 HydrophobicContact CB-CD2 3.66Å; C196-Y561 HydrophobicContact CB-CE1 4.5Å; C196-Y561 HydrophobicContact CB-CE2 3.44Å; C196-Y561 VanDerWaalsContact CB-CE2 3.44Å; C196-Y561 HydrophobicContact CB-CG 4.32Å; I202-Y561 HydrophobicContact CD1-CD1 3.51Å; I202-Y561 HydrophobicContact CD1-CE1 4.28Å; I202-Y561 HydrophobicContact CD1-CG 4.11Å; I202-Y561 HydrophobicContact CG1-CD1 4.16Å; R436-Y561 HydrophobicContact CB-CD1 4.34Å; R436-Y561 HydrophobicContact CB-CE1 3.88Å; R436-Y561 HydrophobicContact CG-CE1 3.8Å; E468-Y561 WeakPolarHBondContact CG-OH 3.43Å; Y561-E563 PolarHBondContact O-N 3.4Å; Y561-N564 PolarHBondContact O-N 3.48Å; Y561-A565 WeakPolarHBondContact O-CB 3.34Å; Y561-A565 PolarHBondContact O-N 2.94Å
562	F	97.9	Very high	95.5	Very high	7 Å²	7	35.5 Å²	35.5	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-46.1	179.7	179.3	-91.4	0	0	0	112.2	P209 L210 Y213 F429 T433 R436 M437 T560 A565 L566	P209-F562 HydrophobicContact CB-CB 3.89Å; P209-F562 HydrophobicContact CB-CD1 3.41Å; P209-F562 VanDerWaalsContact CB-CD1 3.41Å; P209-F562 HydrophobicContact CB-CE1 4.03Å; P209-F562 HydrophobicContact CB-CG 3.7Å; P209-F562 HydrophobicContact CG-CB 4.49Å; L210-F562 HydrophobicContact CB-CE2 4.47Å; L210-F562 HydrophobicContact CB-CZ 4.32Å; L210-F562 HydrophobicContact CD1-CE2 4.47Å; L210-F562 HydrophobicContact CD1-CZ 4.19Å; Y213-F562 HydrophobicContact CD2-CD1 4.3Å; Y213-F562 AromaticContact CD2-CE1 3.69Å; Y213-F562 HydrophobicContact CD2-CE1 3.69Å; Y213-F562 HydrophobicContact CE2-CE1 4.35Å; Y213-F562 AromaticContact CG-CE1 3.93Å; Y213-F562 HydrophobicContact CG-CE1 3.93Å; F429-F562 HydrophobicContact CE1-CZ 4.3Å; F429-F562 HydrophobicContact CZ-CZ 4.2Å; T433-F562 HydrophobicContact CG2-CE2 3.99Å; T433-F562 HydrophobicContact CG2-CZ 4.27Å; R436-F562 HydrophobicContact CB-CD2 4.16Å; M437-F562 HydrophobicContact CE-CD2 3.28Å; M437-F562 HydrophobicContact CE-CE2 3.26Å; M437-F562 HydrophobicContact CE-CG 4.45Å; M437-F562 HydrophobicContact CE-CZ 4.41Å; T560-F562 PolarHBondContact O-N 2.99Å; F562-A565 PolarHBondContact O-N 2.74Å; F562-L566 HydrophobicContact CD1-CD1 4.04Å; F562-L566 HydrophobicContact CE1-CD1 3.49Å; F562-L566 VanDerWaalsContact CE1-CD1 3.49Å; F562-L566 HydrophobicContact CE1-CG 4.49Å; F562-L566 HydrophobicContact CZ-CD1 3.92Å; F562-L566 WeakPolarHBondContact O-CG 3.34Å; F562-L566 PolarHBondContact O-N 2.76Å
563	E	97.9	Very high	96	Very high	27 Å²	27	31.6 Å²	31.6	13%	0.126	17%	0.172	C	C	.	.	H	α-helix	trans	-66.1	-44	176.1	-66	81.3	176.6	0	0	111.9	R205 Y213 T560 Y561 A565 L566 H567	R205-E563 IonicContact CZ-OE1 2.7Å; R205-E563 IonicContact CZ-OE2 3.71Å; R205-E563 IonicContact NH1-OE1 2.6Å; R205-E563 IonicContact NH1-OE2 2.88Å; R205-E563 PolarHBondContact NH1-OE2 3.01Å; R205-E563 VanDerWaalsContact NH2-CD 3.27Å; R205-E563 IonicContact NH2-OE1 3.6Å; R205-E563 PolarHBondContact NH2-OE1 2.78Å; R205-E563 IonicContact NH2-OE2 3.65Å; R205-E563 PolarHBondContact NH2-OE2 3.25Å; R205-E563 VanDerWaalsContact NH2-OE2 3.14Å; Y213-E563 HydrophobicContact CE2-CG 3.93Å; T560-E563 WeakPolarHBondContact CB-OE2 3.36Å; T560-E563 PolarHBondContact O-N 2.95Å; T560-E563 VanDerWaalsContact O-N 3.15Å; Y561-E563 PolarHBondContact O-N 3.4Å; E563-A565 VanDerWaalsContact C-N 3.27Å; E563-A565 PolarHBondContact O-N 2.86Å; E563-L566 PolarHBondContact O-N 3.01Å; E563-L566 VanDerWaalsContact O-N 3.13Å; E563-H567 PolarHBondContact O-CD2 3.14Å; E563-H567 PolarHBondContact O-N 2.75Å
564	N	97.9	Very high	96.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-57.2	-44	177.7	-63.1	-14.9	0	0	0	110.8	Y192 S195 L556 N557 T560 Y561 L566 H567 C568	Y192-N564 HydrophobicContact CD2-CB 3.56Å; Y192-N564 HydrophobicContact CE2-CB 3.82Å; S195-N564 VanDerWaalsContact CB-ND2 3.3Å; S195-N564 WeakPolarHBondContact CB-ND2 3.49Å; S195-N564 PolarHBondContact OG-ND2 3.14Å; L556-N564 HydrophobicContact CD1-CB 4.41Å; L556-N564 HydrophobicContact CD2-CB 3.97Å; N557-N564 PolarHBondContact N-OD1 3.37Å; N557-N564 PolarHBondContact O-ND2 3.42Å; T560-N564 WeakPolarHBondContact O-CB 3.36Å; T560-N564 PolarHBondContact O-N 2.94Å; T560-N564 PolarHBondContact O-ND2 2.92Å; T560-N564 PolarHBondContact O-OD1 3.32Å; T560-N564 PolarHBondContact OG1-OD1 3.47Å; Y561-N564 PolarHBondContact O-N 3.48Å; N564-L566 VanDerWaalsContact C-N 3.32Å; N564-L566 PolarHBondContact O-N 2.72Å; N564-H567 PolarHBondContact O-N 2.88Å; N564-C568 PolarHBondContact O-N 2.92Å; N564-C568 PolarHBondContact O-SG 3.45Å
565	A	97.1	Very high	95.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-37.4	179	0	0	0	0	0	112.7	Y192 R436 Y561 F562 E563 S569	Y192-A565 HydrophobicContact CE2-CB 3.95Å; Y192-A565 WeakPolarHBondContact OH-CA 3.36Å; Y192-A565 WeakPolarHBondContact OH-CB 3.47Å; R436-A565 HydrophobicContact CG-CB 3.96Å; Y561-A565 WeakPolarHBondContact O-CB 3.34Å; Y561-A565 PolarHBondContact O-N 2.94Å; F562-A565 PolarHBondContact O-N 2.74Å; E563-A565 VanDerWaalsContact C-N 3.27Å; E563-A565 PolarHBondContact O-N 2.86Å; A565-S569 WeakPolarHBondContact O-CB 3.29Å; A565-S569 PolarHBondContact O-N 2.89Å; A565-S569 PolarHBondContact O-OG 3.14Å
566	L	96.4	Very high	95.7	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-71.2	-37.6	174.4	-67.9	177.5	0	0	0	112	Y213 Y256 F429 T433 F562 E563 N564 S569 E570	Y213-L566 HydrophobicContact CD1-CD1 3.44Å; Y213-L566 VanDerWaalsContact CD1-CD1 3.44Å; Y213-L566 HydrophobicContact CD2-CD1 4.18Å; Y213-L566 HydrophobicContact CE1-CD1 3.47Å; Y213-L566 VanDerWaalsContact CE1-CD1 3.47Å; Y213-L566 HydrophobicContact CE2-CD1 4.22Å; Y213-L566 HydrophobicContact CG-CD1 3.8Å; Y256-L566 HydrophobicContact CD1-CB 3.99Å; Y256-L566 HydrophobicContact CE1-CB 4.34Å; Y256-L566 HydrophobicContact CG-CD2 4.42Å; F429-L566 HydrophobicContact CE2-CD1 4.37Å; F429-L566 HydrophobicContact CE2-CD2 3.9Å; F429-L566 HydrophobicContact CZ-CD1 3.94Å; F429-L566 HydrophobicContact CZ-CD2 4.21Å; T433-L566 HydrophobicContact CG2-CD2 3.95Å; F562-L566 HydrophobicContact CD1-CD1 4.04Å; F562-L566 HydrophobicContact CE1-CD1 3.49Å; F562-L566 VanDerWaalsContact CE1-CD1 3.49Å; F562-L566 HydrophobicContact CE1-CG 4.49Å; F562-L566 HydrophobicContact CZ-CD1 3.92Å; F562-L566 WeakPolarHBondContact O-CG 3.34Å; F562-L566 PolarHBondContact O-N 2.76Å; E563-L566 PolarHBondContact O-N 3.01Å; E563-L566 VanDerWaalsContact O-N 3.13Å; N564-L566 VanDerWaalsContact C-N 3.32Å; N564-L566 PolarHBondContact O-N 2.72Å; L566-S569 PolarHBondContact O-N 3.09Å; L566-E570 WeakPolarHBondContact O-CB 3.38Å; L566-E570 PolarHBondContact O-N 3.04Å
567	H	95.7	Very high	95.6	Very high	44 Å²	44	26.2 Å²	26.2	20%	0.204	14%	0.139	C	C	.	.	H	α-helix	trans	-66.5	-41.1	174.1	-70.8	-48.5	0	0	0	112.7	V554 L556 E563 N564 S569 E570 A571	V554-H567 HydrophobicContact CG2-CB 3.7Å; V554-H567 VanDerWaalsContact CG2-CG 3.41Å; L556-H567 HydrophobicContact CD2-CB 4.11Å; E563-H567 PolarHBondContact O-CD2 3.14Å; E563-H567 PolarHBondContact O-N 2.75Å; N564-H567 PolarHBondContact O-N 2.88Å; H567-S569 VanDerWaalsContact C-N 3.32Å; H567-S569 PolarHBondContact O-N 3.45Å; H567-E570 IonicContact ND1-OE2 3.68Å; H567-E570 PolarHBondContact O-N 3.11Å; H567-A571 WeakPolarHBondContact O-CB 3.21Å; H567-A571 PolarHBondContact O-N 3.46Å
568	C	95.7	Very high	95.3	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.027	12%	0.123	C	C	.	.	H	α-helix	trans	-62	-40.1	170.7	-68.4	0	0	0	0	111.7	P472 F553 N564 L572	P472-C568 HydrophobicContact CB-CB 4.1Å; P472-C568 HydrophobicContact CG-CB 4.05Å; F553-C568 HydrophobicContact CE1-CB 4.42Å; N564-C568 PolarHBondContact O-N 2.92Å; N564-C568 PolarHBondContact O-SG 3.45Å; C568-L572 WeakPolarHBondContact O-CB 3.41Å; C568-L572 WeakPolarHBondContact O-CG 3.17Å; C568-L572 PolarHBondContact O-N 2.88Å
569	S	94.7	Very high	95.2	Very high	18 Å²	18	22.5 Å²	22.5	13%	0.126	12%	0.118	C	C	.	.	H	α-helix	trans	-68.2	-37.7	177.9	-54.7	0	0	0	0	112.5	Y256 A565 L566 H567 F573	Y256-S569 VanDerWaalsContact O-CB 3.32Å; Y256-S569 WeakPolarHBondContact O-CB 3.42Å; A565-S569 WeakPolarHBondContact O-CB 3.29Å; A565-S569 PolarHBondContact O-N 2.89Å; A565-S569 PolarHBondContact O-OG 3.14Å; L566-S569 PolarHBondContact O-N 3.09Å; H567-S569 VanDerWaalsContact C-N 3.32Å; H567-S569 PolarHBondContact O-N 3.45Å; S569-F573 PolarHBondContact O-N 3.31Å
570	E	94.7	Very high	95	Very high	29 Å²	29	19.8 Å²	19.8	14%	0.136	10%	0.099	C	C	.	.	H	α-helix	trans	-62.4	-51.4	172.2	170.2	-178.9	174	0	0	111.2	K255 Y256 L566 H567 L572 F573 L574	K255-E570 WeakPolarHBondContact CE-OE1 3.42Å; K255-E570 WeakPolarHBondContact CE-OE2 3.45Å; K255-E570 HydrophobicContact CG-CG 4.31Å; K255-E570 VanDerWaalsContact NZ-CD 3.3Å; K255-E570 IonicContact NZ-OE1 3.86Å; K255-E570 PolarHBondContact NZ-OE1 3.29Å; K255-E570 IonicContact NZ-OE2 3.47Å; K255-E570 PolarHBondContact NZ-OE2 3.21Å; K255-E570 WeakPolarHBondContact O-CA 3.48Å; Y256-E570 HydrophobicContact CD1-CB 4.2Å; L566-E570 WeakPolarHBondContact O-CB 3.38Å; L566-E570 PolarHBondContact O-N 3.04Å; H567-E570 IonicContact ND1-OE2 3.68Å; H567-E570 PolarHBondContact O-N 3.11Å; E570-L572 PolarHBondContact O-N 3.47Å; E570-F573 PolarHBondContact O-N 3.01Å; E570-L574 HydrophobicContact CG-CD1 4.49Å; E570-L574 PolarHBondContact O-N 2.64Å
571	A	93.8	Very high	94.9	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.017	11%	0.106	C	C	.	.	H	α-helix	trans	-64.9	-41.8	-177.5	0	0	0	0	0	112.1	F553 H567 F573 L574 E575	F553-A571 HydrophobicContact CD1-CB 3.89Å; F553-A571 HydrophobicContact CD2-CB 3.47Å; F553-A571 VanDerWaalsContact CD2-CB 3.47Å; F553-A571 HydrophobicContact CE1-CB 3.84Å; F553-A571 HydrophobicContact CE2-CB 3.42Å; F553-A571 VanDerWaalsContact CE2-CB 3.42Å; F553-A571 HydrophobicContact CG-CB 3.73Å; F553-A571 HydrophobicContact CZ-CB 3.61Å; H567-A571 WeakPolarHBondContact O-CB 3.21Å; H567-A571 PolarHBondContact O-N 3.46Å; A571-F573 VanDerWaalsContact C-N 3.3Å; A571-F573 PolarHBondContact O-N 3.17Å; A571-L574 WeakPolarHBondContact O-CB 3.39Å; A571-L574 PolarHBondContact O-N 2.83Å; A571-L574 VanDerWaalsContact O-N 3.13Å; A571-E575 PolarHBondContact O-N 3.01Å
572	L	91.3	Very high	94.5	Very high	37 Å²	37	26 Å²	26	19%	0.194	13%	0.129	C	C	.	.	H	α-helix	trans	-62.5	-34.5	173.9	-78.6	174.1	0	0	0	113.3	F471 P472 C568 E570 E575 I576	F471-L572 HydrophobicContact CD1-CD1 3.28Å; F471-L572 HydrophobicContact CE1-CD1 3.3Å; F471-L572 HydrophobicContact CG-CD1 4.07Å; F471-L572 HydrophobicContact CZ-CD1 4.09Å; P472-L572 HydrophobicContact CB-CD1 3.93Å; P472-L572 HydrophobicContact CB-CG 4.25Å; C568-L572 WeakPolarHBondContact O-CB 3.41Å; C568-L572 WeakPolarHBondContact O-CG 3.17Å; C568-L572 PolarHBondContact O-N 2.88Å; E570-L572 PolarHBondContact O-N 3.47Å; L572-E575 PolarHBondContact O-N 3.15Å; L572-I576 WeakPolarHBondContact O-CG1 3.48Å; L572-I576 PolarHBondContact O-N 3.31Å
573	F	93.9	Very high	94.2	Very high	11 Å²	11	29.9 Å²	29.9	5%	0.048	15%	0.147	C	C	.	.	H	α-helix	trans	-70.7	-35.7	173.9	-175.3	-131.2	0	0	0	111.8	L254 G258 I265 L379 S569 E570 A571 E575 I576 L577	L254-F573 WeakPolarHBondContact O-CD1 3.33Å; L254-F573 WeakPolarHBondContact O-CE1 3.43Å; G258-F573 VanDerWaalsContact CA-CE2 3.43Å; G258-F573 VanDerWaalsContact CA-CZ 3.49Å; I265-F573 HydrophobicContact CB-CE2 4.38Å; I265-F573 HydrophobicContact CB-CZ 4.21Å; I265-F573 HydrophobicContact CG2-CE2 4.46Å; I265-F573 HydrophobicContact CG2-CZ 4.28Å; L379-F573 HydrophobicContact CD1-CE1 4.03Å; L379-F573 HydrophobicContact CD1-CZ 4.05Å; L379-F573 HydrophobicContact CD2-CE1 3.89Å; S569-F573 PolarHBondContact O-N 3.31Å; E570-F573 PolarHBondContact O-N 3.01Å; A571-F573 VanDerWaalsContact C-N 3.3Å; A571-F573 PolarHBondContact O-N 3.17Å; F573-E575 VanDerWaalsContact C-N 3.32Å; F573-E575 PolarHBondContact O-N 3.42Å; F573-I576 PolarHBondContact O-N 3.2Å; F573-L577 HydrophobicContact CD1-CD1 4.42Å; F573-L577 HydrophobicContact CE1-CD1 4.02Å; F573-L577 HydrophobicContact CE1-CG 4.49Å; F573-L577 HydrophobicContact CE2-CD2 4.02Å; F573-L577 HydrophobicContact CE2-CG 4.19Å; F573-L577 HydrophobicContact CZ-CD1 4.09Å; F573-L577 HydrophobicContact CZ-CD2 3.95Å; F573-L577 HydrophobicContact CZ-CG 4.15Å; F573-L577 WeakPolarHBondContact O-CG 3.49Å; F573-L577 PolarHBondContact O-N 3.44Å; F573-L577 VanDerWaalsContact O-N 3.07Å
574	L	93.6	Very high	93.7	Very high	13 Å²	13	32.4 Å²	32.4	7%	0.068	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-38.5	171.2	-69.3	174.3	0	0	0	112.2	P382 L383 E570 A571 L577 R578	P382-L574 HydrophobicContact CB-CD1 4.26Å; P382-L574 HydrophobicContact CB-CD2 3.9Å; P382-L574 HydrophobicContact CG-CD2 4.08Å; L383-L574 HydrophobicContact CD2-CB 4.38Å; L383-L574 HydrophobicContact CD2-CD2 4.27Å; L383-L574 HydrophobicContact CG-CD2 4.22Å; E570-L574 HydrophobicContact CG-CD1 4.49Å; E570-L574 PolarHBondContact O-N 2.64Å; A571-L574 WeakPolarHBondContact O-CB 3.39Å; A571-L574 PolarHBondContact O-N 2.83Å; A571-L574 VanDerWaalsContact O-N 3.13Å; L574-L577 PolarHBondContact O-N 3.23Å; L574-R578 WeakPolarHBondContact O-CG 3.47Å; L574-R578 PolarHBondContact O-N 2.98Å
575	E	90.3	Very high	93	Very high	36 Å²	36	34.5 Å²	34.5	17%	0.168	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-43.4	174.3	-67.1	-50.3	124.5	0	0	112.5	A571 L572 F573 L577 R578 E579	A571-E575 PolarHBondContact O-N 3.01Å; L572-E575 PolarHBondContact O-N 3.15Å; F573-E575 VanDerWaalsContact C-N 3.32Å; F573-E575 PolarHBondContact O-N 3.42Å; E575-L577 VanDerWaalsContact C-N 3.32Å; E575-L577 PolarHBondContact O-N 2.85Å; E575-R578 WeakPolarHBondContact O-CB 3.36Å; E575-R578 PolarHBondContact O-N 2.82Å; E575-R578 VanDerWaalsContact O-N 3.1Å; E575-R578 WeakPolarHBondContact OE1-CD 3.45Å; E575-R578 IonicContact OE1-CZ 2.84Å; E575-R578 IonicContact OE1-NE 3.89Å; E575-R578 IonicContact OE1-NH1 2.68Å; E575-R578 PolarHBondContact OE1-NH1 2.56Å; E575-R578 IonicContact OE2-CZ 3.22Å; E575-R578 IonicContact OE2-NE 3.65Å; E575-R578 IonicContact OE2-NH1 2.74Å; E575-R578 PolarHBondContact OE2-NH1 3.11Å; E575-R578 IonicContact OE2-NH2 3.53Å; E575-E579 PolarHBondContact O-N 2.8Å
576	I	92.5	Very high	92.1	Very high	50 Å²	50	37.6 Å²	37.6	26%	0.256	19%	0.192	S	C	.	.	H	α-helix	trans	-57.5	-45.6	172.7	-66.1	167.1	0	0	0	110.5	L266 V267 L572 F573 R578 E579	L266-I576 HydrophobicContact CD2-CD1 4.43Å; V267-I576 HydrophobicContact CB-CG2 4.28Å; V267-I576 WeakPolarHBondContact CB-O 3.32Å; V267-I576 HydrophobicContact CG2-CG2 4.42Å; V267-I576 WeakPolarHBondContact CG2-O 3.5Å; L572-I576 WeakPolarHBondContact O-CG1 3.48Å; L572-I576 PolarHBondContact O-N 3.31Å; F573-I576 PolarHBondContact O-N 3.2Å; I576-R578 VanDerWaalsContact C-N 3.29Å; I576-R578 PolarHBondContact O-N 3.38Å; I576-E579 WeakPolarHBondContact O-CB 3.43Å; I576-E579 PolarHBondContact O-N 3.47Å
577	L	95.1	Very high	91.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-29.3	178.1	-62.2	-178.6	0	0	0	112.9	I265 V267 L379 Y380 L383 F573 L574 E575 E579 L580	I265-L577 HydrophobicContact CG2-CD2 4.37Å; V267-L577 HydrophobicContact CG2-CD2 4.31Å; L379-L577 HydrophobicContact CB-CD1 3.97Å; Y380-L577 HydrophobicContact CD1-CB 4.49Å; Y380-L577 HydrophobicContact CD2-CD1 4.44Å; Y380-L577 HydrophobicContact CE1-CB 3.92Å; Y380-L577 WeakPolarHBondContact CE1-O 3.45Å; Y380-L577 HydrophobicContact CE2-CB 4.38Å; Y380-L577 HydrophobicContact CE2-CD1 4.28Å; Y380-L577 HydrophobicContact CE2-CD2 3.77Å; Y380-L577 HydrophobicContact CE2-CG 4.35Å; L383-L577 HydrophobicContact CD1-CB 3.8Å; F573-L577 HydrophobicContact CD1-CD1 4.42Å; F573-L577 HydrophobicContact CE1-CD1 4.02Å; F573-L577 HydrophobicContact CE1-CG 4.49Å; F573-L577 HydrophobicContact CE2-CD2 4.02Å; F573-L577 HydrophobicContact CE2-CG 4.19Å; F573-L577 HydrophobicContact CZ-CD1 4.09Å; F573-L577 HydrophobicContact CZ-CD2 3.95Å; F573-L577 HydrophobicContact CZ-CG 4.15Å; F573-L577 WeakPolarHBondContact O-CG 3.49Å; F573-L577 PolarHBondContact O-N 3.44Å; F573-L577 VanDerWaalsContact O-N 3.07Å; L574-L577 PolarHBondContact O-N 3.23Å; E575-L577 VanDerWaalsContact C-N 3.32Å; E575-L577 PolarHBondContact O-N 2.85Å; L577-E579 VanDerWaalsContact C-N 3.28Å; L577-E579 PolarHBondContact O-N 2.71Å; L577-L580 PolarHBondContact O-N 2.87Å
578	R	92.9	Very high	90.6	Very high	29 Å²	29	39.5 Å²	39.5	11%	0.109	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-25.3	175.9	-77.5	174.7	58.3	-161.7	-13.7	113.1	L383 E549 L574 E575 I576 L580 I581 I582	L383-R578 HydrophobicContact CD1-CG 3.78Å; L383-R578 HydrophobicContact CD2-CG 3.58Å; L383-R578 HydrophobicContact CG-CG 4.32Å; E549-R578 IonicContact OE2-CZ 3.7Å; E549-R578 IonicContact OE2-NH1 2.73Å; E549-R578 PolarHBondContact OE2-NH1 3.38Å; E549-R578 IonicContact OE2-NH2 3.46Å; E549-R578 PolarHBondContact OE2-NH2 3.09Å; L574-R578 WeakPolarHBondContact O-CG 3.47Å; L574-R578 PolarHBondContact O-N 2.98Å; E575-R578 WeakPolarHBondContact O-CB 3.36Å; E575-R578 PolarHBondContact O-N 2.82Å; E575-R578 VanDerWaalsContact O-N 3.1Å; E575-R578 WeakPolarHBondContact OE1-CD 3.45Å; E575-R578 IonicContact OE1-CZ 2.84Å; E575-R578 IonicContact OE1-NE 3.89Å; E575-R578 IonicContact OE1-NH1 2.68Å; E575-R578 PolarHBondContact OE1-NH1 2.56Å; E575-R578 IonicContact OE2-CZ 3.22Å; E575-R578 IonicContact OE2-NE 3.65Å; E575-R578 IonicContact OE2-NH1 2.74Å; E575-R578 PolarHBondContact OE2-NH1 3.11Å; E575-R578 IonicContact OE2-NH2 3.53Å; I576-R578 VanDerWaalsContact C-N 3.29Å; I576-R578 PolarHBondContact O-N 3.38Å; R578-L580 PolarHBondContact O-N 3.46Å; R578-I581 WeakPolarHBondContact O-CB 3.2Å; R578-I581 PolarHBondContact O-N 2.82Å; R578-I582 HydrophobicContact CB-CD1 4.13Å; R578-I582 WeakPolarHBondContact O-CG1 3.36Å; R578-I582 PolarHBondContact O-N 3.42Å
579	E	93	Very high	89.6	Confident	62 Å²	62	42.5 Å²	42.5	29%	0.29	23%	0.226	S	C	.	.	H	α-helix	trans	-56.8	-33	178.6	-64.6	-168.6	-164.9	0	0	112.1	V267 F277 E575 I576 L577 I581 I582 Q583	V267-E579 HydrophobicContact CB-CB 4.38Å; V267-E579 HydrophobicContact CG1-CB 3.83Å; F277-E579 HydrophobicContact CD1-CB 4.21Å; F277-E579 HydrophobicContact CE1-CB 4.23Å; E575-E579 PolarHBondContact O-N 2.8Å; I576-E579 WeakPolarHBondContact O-CB 3.43Å; I576-E579 PolarHBondContact O-N 3.47Å; L577-E579 VanDerWaalsContact C-N 3.28Å; L577-E579 PolarHBondContact O-N 2.71Å; E579-I581 VanDerWaalsContact C-N 3.26Å; E579-I581 PolarHBondContact O-N 2.73Å; E579-I582 PolarHBondContact O-N 3.13Å; E579-Q583 WeakPolarHBondContact O-CA 3.34Å; E579-Q583 PolarHBondContact O-N 2.99Å
580	L	95.5	Very high	89	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-26.9	177.7	-170.4	66.4	0	0	0	112.8	V267 F277 I279 Y380 L387 L577 R578 Q583	V267-L580 HydrophobicContact CG1-CB 3.81Å; V267-L580 HydrophobicContact CG1-CD1 4.42Å; V267-L580 HydrophobicContact CG2-CB 4.42Å; F277-L580 HydrophobicContact CB-CD1 4.04Å; F277-L580 WeakPolarHBondContact O-CD1 3.03Å; I279-L580 HydrophobicContact CD1-CD2 3.97Å; I279-L580 HydrophobicContact CG1-CD2 3.75Å; Y380-L580 HydrophobicContact CE1-CD2 4.24Å; Y380-L580 WeakPolarHBondContact OH-CD2 3.38Å; L387-L580 HydrophobicContact CD2-CD2 3.62Å; L577-L580 PolarHBondContact O-N 2.87Å; R578-L580 PolarHBondContact O-N 3.46Å; L580-Q583 VanDerWaalsContact O-CG 3.24Å; L580-Q583 WeakPolarHBondContact O-CG 3.29Å; L580-Q583 PolarHBondContact O-NE2 3.13Å
581	I	94.5	Very high	88.8	Confident	71 Å²	71	43.7 Å²	43.7	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-88.5	-39.2	-178.8	-52.7	174.9	0	0	0	110.2	Y380 L383 F385 R578 E579	Y380-I581 HydrophobicContact CD1-CD1 4.49Å; L383-I581 HydrophobicContact CB-CD1 4.07Å; L383-I581 HydrophobicContact CD1-CD1 3.99Å; F385-I581 HydrophobicContact CB-CD1 3.7Å; F385-I581 HydrophobicContact CB-CG1 4.5Å; F385-I581 HydrophobicContact CD1-CD1 4.17Å; F385-I581 HydrophobicContact CD1-CG1 4.13Å; F385-I581 HydrophobicContact CD2-CD1 4.01Å; F385-I581 HydrophobicContact CD2-CG1 4.02Å; F385-I581 HydrophobicContact CE1-CG1 4.3Å; F385-I581 HydrophobicContact CE2-CG1 4.23Å; F385-I581 HydrophobicContact CG-CD1 3.71Å; F385-I581 HydrophobicContact CG-CG1 3.97Å; F385-I581 HydrophobicContact CZ-CG1 4.35Å; R578-I581 WeakPolarHBondContact O-CB 3.2Å; R578-I581 PolarHBondContact O-N 2.82Å; E579-I581 VanDerWaalsContact C-N 3.26Å; E579-I581 PolarHBondContact O-N 2.73Å
582	I	90.5	Very high	88.9	Confident	97 Å²	97	43.6 Å²	43.6	50%	0.497	23%	0.232	S	C	.	.	H	α-helix	trans	-81.9	-44.1	-176.2	-62.3	170.3	0	0	0	111.4	R578 E579 D584	R578-I582 HydrophobicContact CB-CD1 4.13Å; R578-I582 WeakPolarHBondContact O-CG1 3.36Å; R578-I582 PolarHBondContact O-N 3.42Å; E579-I582 PolarHBondContact O-N 3.13Å; I582-D584 HydrophobicContact CG2-CB 3.99Å; I582-D584 PolarHBondContact O-N 3.17Å
583	Q	91	Very high	89.1	Confident	88 Å²	88	41.8 Å²	41.8	41%	0.411	22%	0.223	S	C	.	.			trans	52.1	49.8	-178.7	-52.6	-163.8	39.8	0	0	114.4	F277 E579 L580 P585	F277-Q583 HydrophobicContact CB-CG 4.09Å; F277-Q583 HydrophobicContact CD2-CB 3.65Å; F277-Q583 HydrophobicContact CD2-CG 3.9Å; F277-Q583 HydrophobicContact CE2-CB 4.08Å; F277-Q583 HydrophobicContact CG-CB 4.43Å; F277-Q583 HydrophobicContact CG-CG 4.23Å; E579-Q583 WeakPolarHBondContact O-CA 3.34Å; E579-Q583 PolarHBondContact O-N 2.99Å; L580-Q583 VanDerWaalsContact O-CG 3.24Å; L580-Q583 WeakPolarHBondContact O-CG 3.29Å; L580-Q583 PolarHBondContact O-NE2 3.13Å; Q583-P585 WeakPolarHBondContact O-CD 3.44Å
584	D	87.8	Confident	89	Confident	79 Å²	79	44 Å²	44	42%	0.422	23%	0.234	S	C	.	.			trans	-99.1	102	173.8	-178	5.2	0	0	0	111.3	I582 D586 S587	I582-D584 HydrophobicContact CG2-CB 3.99Å; I582-D584 PolarHBondContact O-N 3.17Å; D584-D586 VanDerWaalsContact C-N 3.25Å; D584-D586 PolarHBondContact O-N 2.94Å; D584-D586 PolarHBondContact OD1-N 3.2Å; D584-S587 WeakPolarHBondContact O-CB 3.14Å; D584-S587 PolarHBondContact OD1-N 3.43Å
585	P	82.4	Confident	89	Confident	45 Å²	45	44.2 Å²	44.2	29%	0.292	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.4	179.6	32.6	-36.9	0	0	0	113.8	F277 Q583	F277-P585 HydrophobicContact CE2-CB 4.4Å; Q583-P585 WeakPolarHBondContact O-CD 3.44Å
586	D	78.2	Confident	89.2	Confident	65 Å²	65	46.1 Å²	46.1	35%	0.348	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	7	-178	-67.4	-21.1	0	0	0	112.4	K531 D584 H605	K531-D586 IonicContact NZ-OD1 2.67Å; K531-D586 PolarHBondContact NZ-OD1 3.16Å; K531-D586 IonicContact NZ-OD2 3.5Å; K531-D586 PolarHBondContact NZ-OD2 2.92Å; D584-D586 VanDerWaalsContact C-N 3.25Å; D584-D586 PolarHBondContact O-N 2.94Å; D584-D586 PolarHBondContact OD1-N 3.2Å; D586-H605 IonicContact OD1-ND1 3.86Å
587	S	80.6	Confident	89.2	Confident	49 Å²	49	44 Å²	44	34%	0.343	24%	0.237	S	C	.	.			trans	-58.2	133.4	177.3	176.5	0	0	0	0	113.5	D584 S589	D584-S587 WeakPolarHBondContact O-CB 3.14Å; D584-S587 PolarHBondContact OD1-N 3.43Å; S587-S589 PolarHBondContact O-N 3.23Å
588	W	80.7	Confident	89.2	Confident	39 Å²	39	46.6 Å²	46.6	15%	0.148	25%	0.249	C	C	.	.			trans	-86.8	88.8	169.9	-78.2	59.4	0	0	0	110.3	S533 P537 L590 V592	S533-W588 PolarHBondContact OG-NE1 3.03Å; S533-W588 VanDerWaalsContact OG-NE1 3.12Å; P537-W588 HydrophobicContact CB-CB 4.46Å; P537-W588 HydrophobicContact CB-CD2 4.04Å; P537-W588 HydrophobicContact CB-CG 3.87Å; P537-W588 HydrophobicContact CG-CB 4.24Å; P537-W588 HydrophobicContact CG-CD2 4.06Å; P537-W588 HydrophobicContact CG-CE3 4.47Å; P537-W588 HydrophobicContact CG-CG 4Å; W588-L590 VanDerWaalsContact C-N 3.27Å; W588-V592 HydrophobicContact CE3-CG1 3.71Å; W588-V592 HydrophobicContact CZ3-CG1 3.63Å
589	S	73.5	Confident	89.3	Confident	68 Å²	68	46.4 Å²	46.4	48%	0.476	25%	0.248	S	C	.	.			trans	-84.1	4.6	171.1	52.9	0	0	0	0	114.2	S587	S587-S589 PolarHBondContact O-N 3.23Å
590	L	83.2	Confident	89.3	Confident	43 Å²	43	46.1 Å²	46.1	23%	0.225	25%	0.246	C	C	.	.	S	Bend	trans	-113.8	124.1	-173.1	-66.6	168.7	0	0	0	111.5	M475 W588 V592 F598	M475-L590 VanDerWaalsContact SD-O 3.4Å; W588-L590 VanDerWaalsContact C-N 3.27Å; L590-V592 PolarHBondContact O-N 2.92Å; L590-F598 HydrophobicContact CD1-CB 4.38Å; L590-F598 HydrophobicContact CD1-CD1 4.35Å; L590-F598 HydrophobicContact CD1-CD2 3.55Å; L590-F598 HydrophobicContact CD1-CE2 3.79Å; L590-F598 HydrophobicContact CD1-CG 3.85Å; L590-F598 HydrophobicContact CD1-CZ 4.27Å; L590-F598 HydrophobicContact CD2-CE1 4.44Å; L590-F598 HydrophobicContact CD2-CE2 4.37Å; L590-F598 HydrophobicContact CD2-CZ 4.15Å
591	P	91.5	Very high	89.3	Confident	28 Å²	28	49 Å²	49	18%	0.182	26%	0.259	C	S	.	.			trans	-59.3	127.3	178.6	-26.6	36.3	0	0	0	113.4	H593 I594	P591-H593 VanDerWaalsContact C-N 3.29Å; P591-H593 PolarHBondContact O-N 2.62Å; P591-I594 HydrophobicContact CB-CG1 3.92Å; P591-I594 WeakPolarHBondContact O-CB 3.39Å; P591-I594 WeakPolarHBondContact O-CG1 3.35Å; P591-I594 PolarHBondContact O-N 3.45Å
592	V	95.1	Very high	89.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-15.9	-169	-56.6	0	0	0	0	115	M475 G478 V482 I540 W588 L590 I594 P609 A610 G611	M475-V592 HydrophobicContact CE-CG1 4.12Å; M475-V592 HydrophobicContact SD-CG1 3.95Å; G478-V592 VanDerWaalsContact C-CG2 3.49Å; G478-V592 VanDerWaalsContact CA-CG2 3.41Å; G478-V592 WeakPolarHBondContact O-CG2 3.32Å; V482-V592 HydrophobicContact CG2-CG2 3.71Å; I540-V592 HydrophobicContact CD1-CG1 4.24Å; I540-V592 HydrophobicContact CD1-CG2 3.59Å; W588-V592 HydrophobicContact CE3-CG1 3.71Å; W588-V592 HydrophobicContact CZ3-CG1 3.63Å; L590-V592 PolarHBondContact O-N 2.92Å; V592-I594 VanDerWaalsContact C-N 3.34Å; V592-P609 CarbonylContact O-C 3.57Å; V592-P609 WeakPolarHBondContact O-CB 3.38Å; V592-A610 WeakPolarHBondContact O-CA 3.29Å; V592-A610 WeakPolarHBondContact O-CB 3.38Å; V592-A610 PolarHBondContact O-N 2.88Å; V592-G611 PolarHBondContact O-N 3.31Å
593	H	94.8	Very high	89.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	1.9	177.2	68.4	-72.3	0	0	0	113.5	Q470 G474 F481 P591	Q470-H593 PolarHBondContact NE2-NE2 2.88Å; Q470-H593 VanDerWaalsContact NE2-NE2 3.19Å; G474-H593 PolarHBondContact O-CE1 3.09Å; G474-H593 PolarHBondContact O-ND1 3.36Å; F481-H593 HydrophobicContact CB-CB 3.7Å; F481-H593 HydrophobicContact CD1-CB 3.78Å; F481-H593 HydrophobicContact CD2-CB 4Å; F481-H593 HydrophobicContact CE1-CB 4.44Å; F481-H593 HydrophobicContact CG-CB 3.53Å; P591-H593 VanDerWaalsContact C-N 3.29Å; P591-H593 PolarHBondContact O-N 2.62Å
594	I	92.5	Very high	89.7	Confident	56 Å²	56	38.5 Å²	38.5	29%	0.287	21%	0.209	S	C	.	.	S	Bend	trans	-77	138.7	179	-65	-64.6	0	0	0	110.8	P591 V592 N596 P609	P591-I594 HydrophobicContact CB-CG1 3.92Å; P591-I594 WeakPolarHBondContact O-CB 3.39Å; P591-I594 WeakPolarHBondContact O-CG1 3.35Å; P591-I594 PolarHBondContact O-N 3.45Å; V592-I594 VanDerWaalsContact C-N 3.34Å; I594-N596 HydrophobicContact CG2-CB 4.05Å; I594-N596 PolarHBondContact O-N 2.86Å; I594-N596 VanDerWaalsContact O-N 3.15Å; I594-P609 WeakPolarHBondContact O-CB 3.44Å
595	V	94.4	Very high	90	Very high	19 Å²	19	35 Å²	35	12%	0.115	19%	0.19	C	C	.	.	S	Bend	trans	-83.5	79.6	171.6	-170.7	0	0	0	0	109.6	L162 D166 I612	L162-V595 HydrophobicContact CB-CG1 4.33Å; L162-V595 HydrophobicContact CB-CG2 4.29Å; L162-V595 HydrophobicContact CD2-CG1 3.73Å; L162-V595 HydrophobicContact CD2-CG2 4.18Å; L162-V595 HydrophobicContact CG-CG1 4.12Å; L162-V595 HydrophobicContact CG-CG2 3.8Å; D166-V595 WeakPolarHBondContact OD2-CG2 3.25Å; V595-I612 HydrophobicContact CG1-CB 4.49Å; V595-I612 HydrophobicContact CG1-CG1 4.42Å
596	N	92.6	Very high	90.7	Very high	75 Å²	75	32.9 Å²	32.9	40%	0.401	18%	0.176	S	C	.	.			trans	-156.5	172.8	168.3	-155.1	12	0	0	0	110.9	I594 F598 P609 I612	I594-N596 HydrophobicContact CG2-CB 4.05Å; I594-N596 PolarHBondContact O-N 2.86Å; I594-N596 VanDerWaalsContact O-N 3.15Å; N596-F598 HydrophobicContact CB-CE1 4.39Å; N596-F598 HydrophobicContact CB-CE2 3.86Å; N596-F598 HydrophobicContact CB-CZ 3.67Å; N596-F598 VanDerWaalsContact ND2-CE1 3.31Å; N596-F598 WeakPolarHBondContact ND2-CE1 3.41Å; N596-F598 WeakPolarHBondContact ND2-CZ 3.41Å; N596-P609 VanDerWaalsContact O-CD 3.3Å; N596-P609 WeakPolarHBondContact O-CD 3.36Å; N596-I612 VanDerWaalsContact C-CD1 3.48Å; N596-I612 WeakPolarHBondContact O-CB 3.49Å; N596-I612 WeakPolarHBondContact O-CG2 3.37Å
597	A	94.5	Very high	91.4	Very high	5 Å²	5	30 Å²	30	4%	0.041	16%	0.16	C	C	.	.			trans	-130.3	164.3	165.7	0	0	0	0	0	109.8	F607 F608 I612 V634 E638	A597-F607 WeakPolarHBondContact CA-O 3.47Å; A597-F608 HydrophobicContact CB-CD1 3.68Å; A597-F608 HydrophobicContact CB-CE1 3.83Å; A597-I612 HydrophobicContact CB-CD1 4.25Å; A597-V634 HydrophobicContact CB-CG1 3.62Å; A597-E638 HydrophobicContact CB-CG 3.76Å; A597-E638 WeakPolarHBondContact CB-OE1 3.35Å
598	F	93.8	Very high	92.1	Very high	56 Å²	56	27.6 Å²	27.6	25%	0.246	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	142	-174.2	-47.5	-95.1	0	0	0	113	L590 N596 I606 F607 P609 E638	L590-F598 HydrophobicContact CD1-CB 4.38Å; L590-F598 HydrophobicContact CD1-CD1 4.35Å; L590-F598 HydrophobicContact CD1-CD2 3.55Å; L590-F598 HydrophobicContact CD1-CE2 3.79Å; L590-F598 HydrophobicContact CD1-CG 3.85Å; L590-F598 HydrophobicContact CD1-CZ 4.27Å; L590-F598 HydrophobicContact CD2-CE1 4.44Å; L590-F598 HydrophobicContact CD2-CE2 4.37Å; L590-F598 HydrophobicContact CD2-CZ 4.15Å; N596-F598 HydrophobicContact CB-CE1 4.39Å; N596-F598 HydrophobicContact CB-CE2 3.86Å; N596-F598 HydrophobicContact CB-CZ 3.67Å; N596-F598 VanDerWaalsContact ND2-CE1 3.31Å; N596-F598 WeakPolarHBondContact ND2-CE1 3.41Å; N596-F598 WeakPolarHBondContact ND2-CZ 3.41Å; F598-I606 CarbonylContact O-C 3.58Å; F598-I606 WeakPolarHBondContact O-CA 3.5Å; F598-F607 HydrophobicContact CB-CB 4.44Å; F598-F607 PolarHBondContact N-O 3.26Å; F598-F607 VanDerWaalsContact N-O 3.1Å; F598-F607 PolarHBondContact O-N 3.03Å; F598-P609 HydrophobicContact CE2-CG 4.23Å; F598-E638 WeakPolarHBondContact CA-OE2 3.38Å; F598-E638 PolarHBondContact N-OE2 2.94Å
599	Y	95.6	Very high	92.8	Very high	24 Å²	24	25.9 Å²	25.9	9%	0.094	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	145.2	160.2	176.9	-114.7	0	0	0	110.5	K526 M530 E601 N604 H605 I606 E638 H641 A642	K526-Y599 WeakPolarHBondContact CE-OH 3.43Å; K526-Y599 PolarHBondContact NZ-OH 3.42Å; M530-Y599 HydrophobicContact CE-CE2 4.21Å; Y599-E601 HydrophobicContact CD1-CG 4.32Å; Y599-E601 HydrophobicContact CE1-CB 4.27Å; Y599-E601 HydrophobicContact CE1-CG 3.89Å; Y599-N604 PolarHBondContact OH-OD1 2.78Å; Y599-N604 VanDerWaalsContact OH-OD1 3.09Å; Y599-H605 CarbonylContact C-O 3.51Å; Y599-H605 WeakPolarHBondContact CA-O 3.39Å; Y599-I606 HydrophobicContact CD2-CG2 3.75Å; Y599-E638 PolarHBondContact N-OE2 2.96Å; Y599-H641 HydrophobicContact CD1-CB 3.69Å; Y599-H641 HydrophobicContact CG-CB 3.95Å; Y599-A642 VanDerWaalsContact CE1-CA 3.49Å; Y599-A642 HydrophobicContact CE1-CB 3.97Å; Y599-A642 HydrophobicContact CE2-CB 3.77Å; Y599-A642 VanDerWaalsContact CZ-CB 3.44Å; Y599-A642 WeakPolarHBondContact OH-CB 3.3Å
600	K	93.5	Very high	93.9	Very high	56 Å²	56	22.6 Å²	22.6	24%	0.243	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.5	167.4	-68.4	-172.6	-178.1	-178.8	0	109.5	S603 N604 H605 F607	K600-S603 WeakPolarHBondContact CB-OG 3.35Å; K600-N604 WeakPolarHBondContact O-CA 3.23Å; K600-N604 PolarHBondContact O-N 2.92Å; K600-H605 PolarHBondContact N-O 3.33Å; K600-H605 PolarHBondContact O-N 3.16Å; K600-H605 VanDerWaalsContact O-N 3.16Å; K600-F607 HydrophobicContact CB-CE2 4.36Å; K600-F607 HydrophobicContact CD-CE2 3.74Å; K600-F607 HydrophobicContact CD-CZ 4.18Å; K600-F607 HydrophobicContact CG-CD2 4.42Å; K600-F607 HydrophobicContact CG-CE2 3.89Å
601	E	94.9	Very high	94.4	Very high	65 Å²	65	20.6 Å²	20.6	30%	0.304	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-49.4	-176.5	-61.3	84.5	163.8	0	0	111.8	Y599 S603 N604 F650 G654	Y599-E601 HydrophobicContact CD1-CG 4.32Å; Y599-E601 HydrophobicContact CE1-CB 4.27Å; Y599-E601 HydrophobicContact CE1-CG 3.89Å; E601-S603 VanDerWaalsContact C-N 3.33Å; E601-S603 PolarHBondContact O-N 3.48Å; E601-N604 PolarHBondContact O-N 3.49Å; E601-F650 HydrophobicContact CB-CB 4.47Å; E601-F650 HydrophobicContact CB-CD1 4.01Å; E601-F650 HydrophobicContact CB-CD2 3.7Å; E601-F650 HydrophobicContact CB-CE1 4.14Å; E601-F650 HydrophobicContact CB-CE2 3.86Å; E601-F650 HydrophobicContact CB-CG 3.79Å; E601-F650 HydrophobicContact CB-CZ 4.07Å; E601-F650 HydrophobicContact CG-CD2 3.87Å; E601-F650 HydrophobicContact CG-CE2 3.86Å; E601-F650 HydrophobicContact CG-CG 4.46Å; E601-F650 HydrophobicContact CG-CZ 4.43Å; E601-G654 VanDerWaalsContact O-CA 3.27Å; E601-G654 WeakPolarHBondContact O-CA 3.39Å
602	N	93.9	Very high	94.5	Very high	22 Å²	22	19.6 Å²	19.6	12%	0.118	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.4	-172.3	-70.3	115.6	0	0	0	115.3	Q269 Q271 S274 F650 G654	Q269-N602 HydrophobicContact CB-CB 3.71Å; Q269-N602 HydrophobicContact CG-CB 4.34Å; Q269-N602 PolarHBondContact NE2-O 3Å; Q269-N602 VanDerWaalsContact NE2-O 3.13Å; Q271-N602 WeakPolarHBondContact CA-ND2 3.19Å; S274-N602 WeakPolarHBondContact CB-O 3.34Å; N602-F650 WeakPolarHBondContact ND2-CE1 3.49Å; N602-G654 WeakPolarHBondContact CA-O 3.34Å; N602-G654 PolarHBondContact ND2-O 2.88Å
603	S	93.5	Very high	94.5	Very high	12 Å²	12	19.8 Å²	19.8	8%	0.084	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-3.3	170.4	57.9	0	0	0	0	113.4	K600 E601 H605	K600-S603 WeakPolarHBondContact CB-OG 3.35Å; E601-S603 VanDerWaalsContact C-N 3.33Å; E601-S603 PolarHBondContact O-N 3.48Å; S603-H605 VanDerWaalsContact OG-CB 3.27Å; S603-H605 WeakPolarHBondContact OG-CB 3.28Å
604	N	96.4	Very high	94.2	Very high	2 Å²	2	22 Å²	22	1%	0.011	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	57.2	-173.3	-171.6	24.8	0	0	0	111.3	K526 S529 M530 K531 Y599 K600 E601 A652	K526-N604 PolarHBondContact O-ND2 3.22Å; S529-N604 PolarHBondContact OG-ND2 3.15Å; M530-N604 CarbonylContact C-O 3.52Å; M530-N604 VanDerWaalsContact CA-O 3.22Å; M530-N604 WeakPolarHBondContact CA-O 3.39Å; K531-N604 PolarHBondContact N-O 2.94Å; Y599-N604 PolarHBondContact OH-OD1 2.78Å; Y599-N604 VanDerWaalsContact OH-OD1 3.09Å; K600-N604 WeakPolarHBondContact O-CA 3.23Å; K600-N604 PolarHBondContact O-N 2.92Å; E601-N604 PolarHBondContact O-N 3.49Å; N604-A652 PolarHBondContact ND2-O 3.11Å
605	H	95.2	Very high	94.1	Very high	7 Å²	7	21.7 Å²	21.7	3%	0.032	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	125.8	-161.6	-162.7	156.3	0	0	0	111.9	K531 S533 D586 Y599 K600 S603 F607	K531-H605 HydrophobicContact CB-CB 4.06Å; K531-H605 WeakPolarHBondContact O-CA 3.41Å; K531-H605 PolarHBondContact O-CD2 3.32Å; S533-H605 VanDerWaalsContact CB-NE2 3.27Å; S533-H605 WeakPolarHBondContact CB-NE2 3.49Å; S533-H605 PolarHBondContact OG-NE2 3.25Å; D586-H605 IonicContact OD1-ND1 3.86Å; Y599-H605 CarbonylContact C-O 3.51Å; Y599-H605 WeakPolarHBondContact CA-O 3.39Å; K600-H605 PolarHBondContact N-O 3.33Å; K600-H605 PolarHBondContact O-N 3.16Å; K600-H605 VanDerWaalsContact O-N 3.16Å; S603-H605 VanDerWaalsContact OG-CB 3.27Å; S603-H605 WeakPolarHBondContact OG-CB 3.28Å; H605-F607 HydrophobicContact CB-CE2 3.78Å; H605-F607 HydrophobicContact CB-CZ 4.26Å; H605-F607 AromaticContact CD2-CD2 3.98Å; H605-F607 AromaticContact CD2-CE2 3.53Å; H605-F607 AromaticContact CD2-CZ 3.6Å; H605-F607 AromaticContact CE1-CE1 3.91Å; H605-F607 AromaticContact CE1-CZ 3.55Å; H605-F607 AromaticContact CG-CE2 3.53Å; H605-F607 AromaticContact CG-CZ 3.6Å; H605-F607 AromaticContact ND1-CZ 3.61Å; H605-F607 AromaticContact NE2-CE1 3.71Å; H605-F607 AromaticContact NE2-CE2 3.98Å; H605-F607 AromaticContact NE2-CZ 3.55Å
606	I	95.8	Very high	93.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.9	174.9	59.6	-177.8	0	0	0	112.3	I498 M530 K531 A532 S533 F598 Y599 F608 E638 I639	I498-I606 HydrophobicContact CG2-CD1 4.06Å; M530-I606 HydrophobicContact CG-CG2 4.43Å; M530-I606 HydrophobicContact SD-CD1 3.98Å; M530-I606 HydrophobicContact SD-CG1 4.36Å; M530-I606 HydrophobicContact SD-CG2 3.86Å; K531-I606 WeakPolarHBondContact O-CG1 3.1Å; K531-I606 PolarHBondContact O-N 3.2Å; A532-I606 CarbonylContact C-O 3.4Å; A532-I606 WeakPolarHBondContact CA-O 3.15Å; A532-I606 HydrophobicContact CB-CD1 4.33Å; A532-I606 HydrophobicContact CB-CG1 3.93Å; S533-I606 PolarHBondContact N-O 2.87Å; F598-I606 CarbonylContact O-C 3.58Å; F598-I606 WeakPolarHBondContact O-CA 3.5Å; Y599-I606 HydrophobicContact CD2-CG2 3.75Å; I606-F608 HydrophobicContact CB-CE2 3.94Å; I606-F608 HydrophobicContact CB-CZ 4.16Å; I606-F608 HydrophobicContact CD1-CE2 3.66Å; I606-F608 HydrophobicContact CD1-CZ 4.03Å; I606-F608 HydrophobicContact CG1-CE2 3.71Å; I606-F608 HydrophobicContact CG1-CZ 4.29Å; I606-E638 HydrophobicContact CB-CB 4.05Å; I606-E638 HydrophobicContact CG2-CB 3.63Å; I606-I639 HydrophobicContact CD1-CD1 4.38Å; I606-I639 HydrophobicContact CD1-CG1 3.78Å
607	F	94.4	Very high	93.9	Very high	3 Å²	3	19.7 Å²	19.7	1%	0.013	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.2	-175.3	-64.8	-99.7	0	0	0	111.3	S533 A597 F598 K600 H605	S533-F607 VanDerWaalsContact CB-CD1 3.47Å; S533-F607 WeakPolarHBondContact O-CA 3.4Å; A597-F607 WeakPolarHBondContact CA-O 3.47Å; F598-F607 HydrophobicContact CB-CB 4.44Å; F598-F607 PolarHBondContact N-O 3.26Å; F598-F607 VanDerWaalsContact N-O 3.1Å; F598-F607 PolarHBondContact O-N 3.03Å; K600-F607 HydrophobicContact CB-CE2 4.36Å; K600-F607 HydrophobicContact CD-CE2 3.74Å; K600-F607 HydrophobicContact CD-CZ 4.18Å; K600-F607 HydrophobicContact CG-CD2 4.42Å; K600-F607 HydrophobicContact CG-CE2 3.89Å; H605-F607 HydrophobicContact CB-CE2 3.78Å; H605-F607 HydrophobicContact CB-CZ 4.26Å; H605-F607 AromaticContact CD2-CD2 3.98Å; H605-F607 AromaticContact CD2-CE2 3.53Å; H605-F607 AromaticContact CD2-CZ 3.6Å; H605-F607 AromaticContact CE1-CE1 3.91Å; H605-F607 AromaticContact CE1-CZ 3.55Å; H605-F607 AromaticContact CG-CE2 3.53Å; H605-F607 AromaticContact CG-CZ 3.6Å; H605-F607 AromaticContact ND1-CZ 3.61Å; H605-F607 AromaticContact NE2-CE1 3.71Å; H605-F607 AromaticContact NE2-CE2 3.98Å; H605-F607 AromaticContact NE2-CZ 3.55Å
608	F	95.4	Very high	93.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	87	175.6	-54.8	-78.9	0	0	0	109.9	I498 S533 G535 A597 I606 I612 V634 V635 E638	I498-F608 HydrophobicContact CD1-CD2 3.52Å; I498-F608 HydrophobicContact CD1-CE2 3.64Å; I498-F608 HydrophobicContact CD1-CG 4.45Å; I498-F608 HydrophobicContact CG1-CD2 4.32Å; I498-F608 HydrophobicContact CG1-CE2 3.99Å; S533-F608 PolarHBondContact O-N 2.98Å; G535-F608 WeakPolarHBondContact CA-O 3.49Å; G535-F608 PolarHBondContact N-O 2.66Å; A597-F608 HydrophobicContact CB-CD1 3.68Å; A597-F608 HydrophobicContact CB-CE1 3.83Å; I606-F608 HydrophobicContact CB-CE2 3.94Å; I606-F608 HydrophobicContact CB-CZ 4.16Å; I606-F608 HydrophobicContact CD1-CE2 3.66Å; I606-F608 HydrophobicContact CD1-CZ 4.03Å; I606-F608 HydrophobicContact CG1-CE2 3.71Å; I606-F608 HydrophobicContact CG1-CZ 4.29Å; F608-I612 HydrophobicContact CB-CG2 4.48Å; F608-V634 HydrophobicContact CE1-CG1 4.4Å; F608-V635 HydrophobicContact CD1-CG2 4.22Å; F608-V635 HydrophobicContact CE1-CB 4.26Å; F608-V635 HydrophobicContact CE1-CG2 3.69Å; F608-V635 HydrophobicContact CE2-CG2 4.25Å; F608-V635 HydrophobicContact CZ-CB 4.06Å; F608-V635 HydrophobicContact CZ-CG1 4.25Å; F608-V635 HydrophobicContact CZ-CG2 3.72Å; F608-E638 HydrophobicContact CE1-CB 4.27Å; F608-E638 HydrophobicContact CE1-CG 3.61Å; F608-E638 HydrophobicContact CZ-CB 3.95Å; F608-E638 HydrophobicContact CZ-CG 3.81Å
609	P	95.3	Very high	93.3	Very high	2 Å²	2	19 Å²	19	1%	0.013	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-45.2	152.8	170.3	-31	34.6	0	0	0	114.8	G535 V592 I594 N596 F598 G611 I612	G535-P609 CarbonylContact O-C 3.49Å; V592-P609 CarbonylContact O-C 3.57Å; V592-P609 WeakPolarHBondContact O-CB 3.38Å; I594-P609 WeakPolarHBondContact O-CB 3.44Å; N596-P609 VanDerWaalsContact O-CD 3.3Å; N596-P609 WeakPolarHBondContact O-CD 3.36Å; F598-P609 HydrophobicContact CE2-CG 4.23Å; P609-G611 PolarHBondContact O-N 3.21Å; P609-I612 VanDerWaalsContact O-CG2 3.28Å; P609-I612 WeakPolarHBondContact O-CG2 3.47Å; P609-I612 PolarHBondContact O-N 2.94Å
610	A	95.3	Very high	92.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32	174.1	0	0	0	0	0	112.8	F481 V482 F486 G535 V592 I612 L613	F481-A610 HydrophobicContact CD1-CB 4.25Å; F481-A610 HydrophobicContact CE1-CB 4.09Å; V482-A610 HydrophobicContact CG2-CB 3.91Å; F486-A610 HydrophobicContact CB-CB 4.35Å; F486-A610 HydrophobicContact CD1-CB 4.3Å; F486-A610 HydrophobicContact CD2-CB 3.65Å; F486-A610 HydrophobicContact CE2-CB 3.99Å; F486-A610 HydrophobicContact CG-CB 3.82Å; F486-A610 HydrophobicContact CZ-CB 4.43Å; G535-A610 WeakPolarHBondContact O-CB 3.47Å; G535-A610 PolarHBondContact O-N 3.21Å; V592-A610 WeakPolarHBondContact O-CA 3.29Å; V592-A610 WeakPolarHBondContact O-CB 3.38Å; V592-A610 PolarHBondContact O-N 2.88Å; A610-I612 PolarHBondContact O-N 3.08Å; A610-L613 PolarHBondContact O-N 3.37Å
611	G	94.7	Very high	91.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-37.7	178.5	0	0	0	0	0	114.3	V592 P609 Q614	V592-G611 PolarHBondContact O-N 3.31Å; P609-G611 PolarHBondContact O-N 3.21Å; G611-Q614 WeakPolarHBondContact O-CG 3.39Å; G611-Q614 PolarHBondContact O-NE2 2.76Å
612	I	93.6	Very high	91.5	Very high	7 Å²	7	17.7 Å²	17.7	4%	0.036	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.6	178.2	-165.9	157.4	0	0	0	113.5	V595 N596 A597 F608 P609 A610 Q614 L617 I631 V634	V595-I612 HydrophobicContact CG1-CB 4.49Å; V595-I612 HydrophobicContact CG1-CG1 4.42Å; N596-I612 VanDerWaalsContact C-CD1 3.48Å; N596-I612 WeakPolarHBondContact O-CB 3.49Å; N596-I612 WeakPolarHBondContact O-CG2 3.37Å; A597-I612 HydrophobicContact CB-CD1 4.25Å; F608-I612 HydrophobicContact CB-CG2 4.48Å; P609-I612 VanDerWaalsContact O-CG2 3.28Å; P609-I612 WeakPolarHBondContact O-CG2 3.47Å; P609-I612 PolarHBondContact O-N 2.94Å; A610-I612 PolarHBondContact O-N 3.08Å; I612-Q614 PolarHBondContact O-N 2.77Å; I612-L617 HydrophobicContact CD1-CD2 3.95Å; I612-L617 HydrophobicContact CG1-CD2 3.62Å; I612-I631 HydrophobicContact CG1-CD1 4.08Å; I612-I631 HydrophobicContact CG2-CD1 4.37Å; I612-V634 HydrophobicContact CD1-CG1 4.12Å
613	L	93.7	Very high	91.2	Very high	5 Å²	5	17 Å²	17	3%	0.026	11%	0.106	C	C	.	.	S	Bend	trans	-82.2	43.7	-179.3	-64.4	179.8	0	0	0	112.8	F486 A494 V534 A610 I631	F486-L613 HydrophobicContact CE2-CB 3.79Å; F486-L613 HydrophobicContact CE2-CD1 4.13Å; F486-L613 HydrophobicContact CZ-CB 4.43Å; F486-L613 HydrophobicContact CZ-CD1 3.97Å; A494-L613 HydrophobicContact CB-CD1 4.14Å; A494-L613 HydrophobicContact CB-CD2 3.8Å; V534-L613 HydrophobicContact CG1-CD1 3.85Å; A610-L613 PolarHBondContact O-N 3.37Å; L613-I631 HydrophobicContact CD2-CD1 3.91Å; L613-I631 HydrophobicContact CD2-CG1 3.82Å
614	Q	89.9	Confident	91.1	Very high	45 Å²	45	19.6 Å²	19.6	21%	0.21	12%	0.119	C	C	.	.	S	Bend	trans	-126.6	167.4	-176.7	-61	-170.5	81.7	0	0	111.3	L162 D166 G611 I612 L617 Y618	L162-Q614 HydrophobicContact CD1-CB 3.8Å; L162-Q614 HydrophobicContact CD1-CG 4.46Å; L162-Q614 HydrophobicContact CD2-CB 4.02Å; L162-Q614 HydrophobicContact CG-CB 4.47Å; D166-Q614 PolarHBondContact OD1-NE2 2.97Å; D166-Q614 PolarHBondContact OD2-NE2 3.49Å; G611-Q614 WeakPolarHBondContact O-CG 3.39Å; G611-Q614 PolarHBondContact O-NE2 2.76Å; I612-Q614 PolarHBondContact O-N 2.77Å; Q614-L617 PolarHBondContact O-N 2.74Å; Q614-Y618 CarbonylContact C-O 3.52Å; Q614-Y618 PolarHBondContact O-N 2.8Å
615	S	89	Confident	91	Very high	50 Å²	50	19.7 Å²	19.7	35%	0.35	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	140.8	175.9	-57.8	0	0	0	0	111.3	Y618 N619	S615-Y618 WeakPolarHBondContact CA-O 3.1Å; S615-Y618 PolarHBondContact N-O 3Å; S615-Y618 PolarHBondContact OG-O 3.46Å; S615-Y618 VanDerWaalsContact OG-O 3.11Å; S615-N619 WeakPolarHBondContact OG-CB 2.92Å; S615-N619 PolarHBondContact OG-ND2 2.98Å
616	P	91.1	Very high	90.9	Very high	53 Å²	53	19.8 Å²	19.8	34%	0.344	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.4	-11.6	11.1	32.3	-34.7	0	0	0	115.8	V158 Y618 Q622 L743	V158-P616 HydrophobicContact CG1-CG 3.48Å; V158-P616 VanDerWaalsContact CG1-CG 3.48Å; P616-Y618 VanDerWaalsContact C-N 3.34Å; P616-Y618 PolarHBondContact O-N 3.41Å; P616-Q622 PolarHBondContact O-NE2 3.39Å; P616-L743 HydrophobicContact CB-CD2 4.43Å; P616-L743 HydrophobicContact CG-CD2 3.88Å
617	L	91.6	Very high	90.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-43.3	-175.8	-60.4	96.4	0	0	0	112.1	M159 L162 I612 Q614 I631 V634 L743	M159-L617 HydrophobicContact CE-CD2 3.81Å; M159-L617 HydrophobicContact CE-CG 4.32Å; M159-L617 HydrophobicContact SD-CD1 3.95Å; M159-L617 HydrophobicContact SD-CD2 4.19Å; M159-L617 HydrophobicContact SD-CG 4.4Å; L162-L617 HydrophobicContact CD2-CD1 3.56Å; I612-L617 HydrophobicContact CD1-CD2 3.95Å; I612-L617 HydrophobicContact CG1-CD2 3.62Å; Q614-L617 PolarHBondContact O-N 2.74Å; L617-I631 HydrophobicContact CB-CB 4.12Å; L617-I631 HydrophobicContact CB-CD1 4.48Å; L617-I631 HydrophobicContact CD2-CD1 4.37Å; L617-I631 WeakPolarHBondContact O-CB 3.34Å; L617-I631 WeakPolarHBondContact O-CG2 3.31Å; L617-I631 PolarHBondContact O-N 3.45Å; L617-V634 HydrophobicContact CD2-CG2 4.01Å; L617-L743 HydrophobicContact CD2-CD1 4.12Å; L617-L743 HydrophobicContact CG-CD1 4.13Å; L617-L743 HydrophobicContact CG-CD2 3.88Å
618	Y	90.7	Very high	91	Very high	12 Å²	12	20.1 Å²	20.1	5%	0.047	12%	0.122	C	C	.	.			trans	-136.1	137.2	178.2	-177.8	-102	0	0	0	112.8	A493 M497 Q614 S615 P616 N627 I631	A493-Y618 HydrophobicContact CB-CE2 4.3Å; A493-Y618 WeakPolarHBondContact CB-OH 3.47Å; M497-Y618 HydrophobicContact CE-CD2 4.14Å; M497-Y618 HydrophobicContact CE-CE2 4.26Å; Q614-Y618 CarbonylContact C-O 3.52Å; Q614-Y618 PolarHBondContact O-N 2.8Å; S615-Y618 WeakPolarHBondContact CA-O 3.1Å; S615-Y618 PolarHBondContact N-O 3Å; S615-Y618 PolarHBondContact OG-O 3.46Å; S615-Y618 VanDerWaalsContact OG-O 3.11Å; P616-Y618 VanDerWaalsContact C-N 3.34Å; P616-Y618 PolarHBondContact O-N 3.41Å; Y618-N627 WeakPolarHBondContact CA-OD1 3.5Å; Y618-N627 WeakPolarHBondContact CD2-OD1 3.43Å; Y618-I631 HydrophobicContact CD2-CG2 3.94Å; Y618-I631 HydrophobicContact CG-CG2 4.34Å
619	N	86.4	Confident	91	Very high	33 Å²	33	20.1 Å²	20.1	18%	0.176	12%	0.122	C	C	.	.			trans	-152	131.3	164.9	-164	-56.4	0	0	0	110	S615 G621 Q622 N627	S615-N619 WeakPolarHBondContact OG-CB 2.92Å; S615-N619 PolarHBondContact OG-ND2 2.98Å; N619-G621 PolarHBondContact O-N 2.9Å; N619-G621 PolarHBondContact OD1-N 3.44Å; N619-Q622 HydrophobicContact CB-CB 4Å; N619-Q622 HydrophobicContact CB-CG 3.75Å; N619-Q622 PolarHBondContact O-N 3.38Å; N619-N627 PolarHBondContact N-OD1 3.29Å; N619-N627 PolarHBondContact O-ND2 2.98Å; N619-N627 PolarHBondContact O-OD1 3.21Å
620	P	80.3	Confident	91	Very high	83 Å²	83	20 Å²	20	54%	0.539	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.5	176.5	26.8	-34.7	0	0	0	113.5
621	G	79	Confident	91	Very high	23 Å²	23	20.1 Å²	20.1	24%	0.237	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	9	178.6	0	0	0	0	0	115.4	N619	N619-G621 PolarHBondContact O-N 2.9Å; N619-G621 PolarHBondContact OD1-N 3.44Å
622	Q	85.8	Confident	91.1	Very high	13 Å²	13	20.1 Å²	20.1	6%	0.061	12%	0.122	C	C	.	.	S	Bend	trans	-102.1	151.6	172.8	80.7	-171.8	2.2	0	0	111.6	V117 P616 N619 L626 N627	V117-Q622 HydrophobicContact CG2-CB 4.38Å; P616-Q622 PolarHBondContact O-NE2 3.39Å; N619-Q622 HydrophobicContact CB-CB 4Å; N619-Q622 HydrophobicContact CB-CG 3.75Å; N619-Q622 PolarHBondContact O-N 3.38Å; Q622-L626 HydrophobicContact CG-CB 4.09Å; Q622-N627 WeakPolarHBondContact CG-OD1 3.47Å; Q622-N627 PolarHBondContact NE2-OD1 3Å; Q622-N627 PolarHBondContact O-ND2 3.49Å
623	P	89	Confident	91.3	Very high	8 Å²	8	19.8 Å²	19.8	5%	0.052	12%	0.12	C	C	.	.			trans	-48.5	142.9	176.1	-28.5	31.7	0	0	0	113.7	S625 L626 N627 P723 L725	P623-S625 PolarHBondContact O-N 2.92Å; P623-S625 VanDerWaalsContact O-N 3.12Å; P623-L626 HydrophobicContact CG-CD1 4.49Å; P623-L626 PolarHBondContact O-N 3.35Å; P623-N627 PolarHBondContact O-N 3.44Å; P623-P723 HydrophobicContact CG-CB 4.36Å; P623-L725 HydrophobicContact CG-CD1 4.13Å; P623-L725 HydrophobicContact CG-CD2 3.82Å; P623-L725 HydrophobicContact CG-CG 3.82Å
624	L	91	Very high	91.5	Very high	66 Å²	66	20.2 Å²	20.2	35%	0.346	12%	0.123	S	C	.	.	H	α-helix	trans	-52.7	-36.3	177.4	-71	175.2	0	0	0	112.4	L626 N627 F628 F712 L715 Y719	L624-L626 VanDerWaalsContact C-N 3.31Å; L624-L626 PolarHBondContact O-N 3.04Å; L624-N627 PolarHBondContact O-N 3.43Å; L624-F628 HydrophobicContact CB-CD2 4.5Å; L624-F628 HydrophobicContact CD2-CE2 4.4Å; L624-F628 WeakPolarHBondContact O-CB 3.38Å; L624-F628 WeakPolarHBondContact O-CD2 3.42Å; L624-F628 PolarHBondContact O-N 2.93Å; L624-F712 HydrophobicContact CB-CD2 4.39Å; L624-F712 HydrophobicContact CB-CE2 4.33Å; L624-L715 HydrophobicContact CD1-CD2 4.16Å; L624-L715 HydrophobicContact CD1-CG 4.49Å; L624-L715 HydrophobicContact CD2-CD2 4.26Å; L624-Y719 HydrophobicContact CD1-CD2 3.97Å
625	S	93.8	Very high	91.9	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-56.5	-41.4	176.4	46.9	0	0	0	0	113.3	P623 G629 P732 F736	P623-S625 PolarHBondContact O-N 2.92Å; P623-S625 VanDerWaalsContact O-N 3.12Å; S625-G629 PolarHBondContact O-N 2.9Å; S625-P732 WeakPolarHBondContact CB-O 3.47Å; S625-F736 WeakPolarHBondContact O-CA 3.32Å
626	L	94.3	Very high	92.3	Very high	9 Å²	9	15.8 Å²	15.8	5%	0.047	10%	0.097	C	C	.	.	H	α-helix	trans	-75.2	-37.5	178.1	-65.4	176.3	0	0	0	112.2	V117 I121 Q622 P623 L624 G630 L725 L735	V117-L626 HydrophobicContact CG1-CD1 3.35Å; I121-L626 HydrophobicContact CD1-CD1 3.68Å; I121-L626 HydrophobicContact CD1-CD2 3.86Å; I121-L626 HydrophobicContact CD1-CG 4.43Å; Q622-L626 HydrophobicContact CG-CB 4.09Å; P623-L626 HydrophobicContact CG-CD1 4.49Å; P623-L626 PolarHBondContact O-N 3.35Å; L624-L626 VanDerWaalsContact C-N 3.31Å; L624-L626 PolarHBondContact O-N 3.04Å; L626-G630 WeakPolarHBondContact O-CA 3.44Å; L626-G630 PolarHBondContact O-N 3.2Å; L626-L725 HydrophobicContact CD1-CD1 3.96Å; L626-L735 HydrophobicContact CD2-CB 4.28Å; L626-L735 VanDerWaalsContact CD2-O 3.31Å; L626-L735 WeakPolarHBondContact CD2-O 3.31Å
627	N	94.1	Very high	92.7	Very high	7 Å²	7	13.7 Å²	13.7	4%	0.037	8%	0.082	C	C	.	.	H	α-helix	trans	-62.9	-43.3	173.7	-83.2	-28.6	0	0	0	111.9	M497 Y618 N619 Q622 P623 L624 G630 I631 G632	M497-N627 HydrophobicContact CE-CB 3.86Å; Y618-N627 WeakPolarHBondContact CA-OD1 3.5Å; Y618-N627 WeakPolarHBondContact CD2-OD1 3.43Å; N619-N627 PolarHBondContact N-OD1 3.29Å; N619-N627 PolarHBondContact O-ND2 2.98Å; N619-N627 PolarHBondContact O-OD1 3.21Å; Q622-N627 WeakPolarHBondContact CG-OD1 3.47Å; Q622-N627 PolarHBondContact NE2-OD1 3Å; Q622-N627 PolarHBondContact O-ND2 3.49Å; P623-N627 PolarHBondContact O-N 3.44Å; L624-N627 PolarHBondContact O-N 3.43Å; N627-G630 PolarHBondContact O-N 3.25Å; N627-I631 WeakPolarHBondContact O-CG2 3.14Å; N627-I631 PolarHBondContact O-N 3.46Å; N627-G632 PolarHBondContact O-N 2.66Å
628	F	96.4	Very high	93	Very high	3 Å²	3	14.2 Å²	14.2	1%	0.013	9%	0.085	C	C	.	.	I	π-helix	trans	-76.2	-34.3	177.9	-84.7	-94.5	0	0	0	113	M497 I501 L624 G630 G632 M633 A708 A711 F712 L715 F736	M497-F628 HydrophobicContact CG-CD1 4.2Å; M497-F628 HydrophobicContact CG-CE1 3.66Å; M497-F628 HydrophobicContact CG-CE2 4.01Å; M497-F628 HydrophobicContact CG-CZ 3.56Å; M497-F628 HydrophobicContact SD-CD1 4.41Å; M497-F628 HydrophobicContact SD-CD2 4.45Å; M497-F628 HydrophobicContact SD-CE1 4.43Å; M497-F628 HydrophobicContact SD-CE2 4.48Å; M497-F628 HydrophobicContact SD-CG 4.43Å; M497-F628 HydrophobicContact SD-CZ 4.48Å; I501-F628 HydrophobicContact CD1-CD1 4.2Å; I501-F628 HydrophobicContact CD1-CE1 4.09Å; I501-F628 HydrophobicContact CG1-CD1 4.26Å; I501-F628 HydrophobicContact CG1-CE1 3.88Å; L624-F628 HydrophobicContact CB-CD2 4.5Å; L624-F628 HydrophobicContact CD2-CE2 4.4Å; L624-F628 WeakPolarHBondContact O-CB 3.38Å; L624-F628 WeakPolarHBondContact O-CD2 3.42Å; L624-F628 PolarHBondContact O-N 2.93Å; F628-G630 VanDerWaalsContact C-N 3.27Å; F628-G632 CarbonylContact O-C 3.58Å; F628-G632 VanDerWaalsContact O-CA 3.29Å; F628-G632 WeakPolarHBondContact O-CA 3.05Å; F628-M633 PolarHBondContact O-N 2.84Å; F628-A708 WeakPolarHBondContact CD1-O 3.06Å; F628-A711 HydrophobicContact CD1-CB 4.09Å; F628-A711 HydrophobicContact CE1-CB 3.58Å; F628-F712 HydrophobicContact CB-CB 3.72Å; F628-F712 HydrophobicContact CB-CD2 4.47Å; F628-F712 HydrophobicContact CB-CG 4.32Å; F628-F712 HydrophobicContact CD1-CB 4.03Å; F628-F712 HydrophobicContact CD2-CB 4.4Å; F628-F712 HydrophobicContact CG-CB 3.8Å; F628-L715 HydrophobicContact CE2-CD2 3.54Å; F628-L715 HydrophobicContact CZ-CD2 3.69Å; F628-F736 VanDerWaalsContact C-CE2 3.44Å; F628-F736 HydrophobicContact CB-CD2 4.04Å; F628-F736 HydrophobicContact CB-CE2 3.93Å; F628-F736 WeakPolarHBondContact O-CE2 3.26Å
629	G	96.9	Very high	93.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.083	C	C	.	.	I	π-helix	trans	-70.4	-26.4	171.6	0	0	0	0	0	112.8	S625 M633 F736 F740	S625-G629 PolarHBondContact O-N 2.9Å; G629-M633 WeakPolarHBondContact O-CB 3.43Å; G629-F736 VanDerWaalsContact N-CD2 3.33Å; G629-F740 WeakPolarHBondContact O-CA 3.44Å; G629-F740 WeakPolarHBondContact O-CB 3.37Å
630	G	95.3	Very high	93.9	Very high	1 Å²	1	12 Å²	12	1%	0.01	7%	0.074	C	C	.	.	I	π-helix	trans	-86.9	-106.7	176.5	0	0	0	0	0	112.6	L626 N627 F628 G632 M633 V634	L626-G630 WeakPolarHBondContact O-CA 3.44Å; L626-G630 PolarHBondContact O-N 3.2Å; N627-G630 PolarHBondContact O-N 3.25Å; F628-G630 VanDerWaalsContact C-N 3.27Å; G630-G632 PolarHBondContact O-N 2.97Å; G630-M633 PolarHBondContact O-N 3.34Å; G630-M633 VanDerWaalsContact O-N 3.12Å; G630-V634 PolarHBondContact O-N 3.26Å
631	I	95.3	Very high	94.8	Very high	1 Å²	1	9 Å²	9	1%	0.005	5%	0.053	C	C	.	.	I	π-helix	trans	-59.4	-28.4	-178.5	-166.9	66.2	0	0	0	112.7	M497 I612 L613 L617 Y618 N627 V634 V635	M497-I631 HydrophobicContact CE-CG2 3.65Å; M497-I631 HydrophobicContact SD-CG2 3.68Å; I612-I631 HydrophobicContact CG1-CD1 4.08Å; I612-I631 HydrophobicContact CG2-CD1 4.37Å; L613-I631 HydrophobicContact CD2-CD1 3.91Å; L613-I631 HydrophobicContact CD2-CG1 3.82Å; L617-I631 HydrophobicContact CB-CB 4.12Å; L617-I631 HydrophobicContact CB-CD1 4.48Å; L617-I631 HydrophobicContact CD2-CD1 4.37Å; L617-I631 WeakPolarHBondContact O-CB 3.34Å; L617-I631 WeakPolarHBondContact O-CG2 3.31Å; L617-I631 PolarHBondContact O-N 3.45Å; Y618-I631 HydrophobicContact CD2-CG2 3.94Å; Y618-I631 HydrophobicContact CG-CG2 4.34Å; N627-I631 WeakPolarHBondContact O-CG2 3.14Å; N627-I631 PolarHBondContact O-N 3.46Å; I631-V634 HydrophobicContact CD1-CB 4.34Å; I631-V634 PolarHBondContact O-N 3.31Å; I631-V635 HydrophobicContact CG1-CG2 4.32Å; I631-V635 WeakPolarHBondContact O-CG2 3.43Å; I631-V635 PolarHBondContact O-N 3.4Å
632	G	97.1	Very high	95.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	I	π-helix	trans	-64.7	-38.1	176.5	0	0	0	0	0	113.4	M497 I501 N627 F628 G630 V635 G636 A708	M497-G632 VanDerWaalsContact SD-CA 3.59Å; I501-G632 VanDerWaalsContact CD1-CA 3.49Å; I501-G632 WeakPolarHBondContact CD1-O 3.37Å; N627-G632 PolarHBondContact O-N 2.66Å; F628-G632 CarbonylContact O-C 3.58Å; F628-G632 VanDerWaalsContact O-CA 3.29Å; F628-G632 WeakPolarHBondContact O-CA 3.05Å; G630-G632 PolarHBondContact O-N 2.97Å; G632-V635 PolarHBondContact O-N 3.36Å; G632-G636 PolarHBondContact O-N 3.11Å; G632-A708 VanDerWaalsContact C-CB 3.48Å; G632-A708 WeakPolarHBondContact O-CB 3.31Å
633	M	97.5	Very high	96.3	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-63.9	-43.4	173.2	169.6	-89.1	168	0	0	110.5	F628 G629 G630 V635 G636 H637 D701 L705 A708 F740 W744	F628-M633 PolarHBondContact O-N 2.84Å; G629-M633 WeakPolarHBondContact O-CB 3.43Å; G630-M633 PolarHBondContact O-N 3.34Å; G630-M633 VanDerWaalsContact O-N 3.12Å; M633-V635 PolarHBondContact O-N 2.96Å; M633-G636 CarbonylContact O-C 3.59Å; M633-G636 WeakPolarHBondContact O-CA 3.25Å; M633-G636 PolarHBondContact O-N 2.68Å; M633-G636 VanDerWaalsContact O-N 3.15Å; M633-H637 PolarHBondContact O-N 2.84Å; M633-D701 HydrophobicContact CE-CB 4.48Å; M633-D701 WeakPolarHBondContact CE-OD1 3.47Å; M633-L705 HydrophobicContact CB-CD1 4.3Å; M633-L705 HydrophobicContact CG-CB 4.38Å; M633-L705 HydrophobicContact CG-CD1 4.1Å; M633-A708 HydrophobicContact CB-CB 4.44Å; M633-F740 HydrophobicContact CB-CD2 4.49Å; M633-F740 HydrophobicContact CE-CD2 4.5Å; M633-F740 HydrophobicContact CE-CE2 4.05Å; M633-F740 HydrophobicContact CG-CD2 3.79Å; M633-F740 HydrophobicContact CG-CE2 4.15Å; M633-F740 HydrophobicContact SD-CD2 4.15Å; M633-F740 HydrophobicContact SD-CE2 4.3Å; M633-W744 HydrophobicContact CE-CZ2 3.92Å; M633-W744 HydrophobicContact SD-CZ2 4.22Å
634	V	97.4	Very high	96.7	Very high	13 Å²	13	7.3 Å²	7.3	8%	0.079	4%	0.038	C	C	.	.	H	α-helix	trans	-62	-41.9	175.6	-178.9	0	0	0	0	111.4	A597 F608 I612 L617 G630 I631 G636 H637 E638	A597-V634 HydrophobicContact CB-CG1 3.62Å; F608-V634 HydrophobicContact CE1-CG1 4.4Å; I612-V634 HydrophobicContact CD1-CG1 4.12Å; L617-V634 HydrophobicContact CD2-CG2 4.01Å; G630-V634 PolarHBondContact O-N 3.26Å; I631-V634 HydrophobicContact CD1-CB 4.34Å; I631-V634 PolarHBondContact O-N 3.31Å; V634-G636 VanDerWaalsContact C-N 3.3Å; V634-G636 PolarHBondContact O-N 3.26Å; V634-H637 VanDerWaalsContact O-CB 3.25Å; V634-H637 WeakPolarHBondContact O-CB 3.43Å; V634-H637 PolarHBondContact O-N 3.27Å; V634-H637 VanDerWaalsContact O-N 3.12Å; V634-E638 WeakPolarHBondContact O-CG 3.45Å; V634-E638 PolarHBondContact O-N 3.41Å
635	V	97.8	Very high	96.8	Very high	3 Å²	3	6.3 Å²	6.3	2%	0.018	3%	0.032	C	C	.	.	H	α-helix	trans	-61.8	-40.9	174.6	168.4	0	0	0	0	111.4	I498 I501 F608 I631 G632 M633 H637 I639	I498-V635 HydrophobicContact CB-CG1 4.2Å; I498-V635 HydrophobicContact CG1-CB 4.42Å; I498-V635 HydrophobicContact CG1-CG1 3.64Å; I498-V635 HydrophobicContact CG1-CG2 3.84Å; I501-V635 HydrophobicContact CB-CG1 4.04Å; I501-V635 HydrophobicContact CD1-CB 3.83Å; I501-V635 HydrophobicContact CD1-CG1 3.68Å; I501-V635 HydrophobicContact CG1-CG1 4.47Å; I501-V635 HydrophobicContact CG2-CG1 4.12Å; F608-V635 HydrophobicContact CD1-CG2 4.22Å; F608-V635 HydrophobicContact CE1-CB 4.26Å; F608-V635 HydrophobicContact CE1-CG2 3.69Å; F608-V635 HydrophobicContact CE2-CG2 4.25Å; F608-V635 HydrophobicContact CZ-CB 4.06Å; F608-V635 HydrophobicContact CZ-CG1 4.25Å; F608-V635 HydrophobicContact CZ-CG2 3.72Å; I631-V635 HydrophobicContact CG1-CG2 4.32Å; I631-V635 WeakPolarHBondContact O-CG2 3.43Å; I631-V635 PolarHBondContact O-N 3.4Å; G632-V635 PolarHBondContact O-N 3.36Å; M633-V635 PolarHBondContact O-N 2.96Å; V635-H637 VanDerWaalsContact C-N 3.34Å; V635-I639 HydrophobicContact CG1-CD1 3.86Å; V635-I639 WeakPolarHBondContact O-CD1 3.49Å; V635-I639 VanDerWaalsContact O-CG1 3.25Å; V635-I639 WeakPolarHBondContact O-CG1 3.15Å; V635-I639 PolarHBondContact O-N 3.39Å; V635-I639 VanDerWaalsContact O-N 3.16Å
636	G	98.3	Very high	96.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.2	-38.4	172.7	0	0	0	0	0	112.8	G632 M633 V634 I639 T640 G704	G632-G636 PolarHBondContact O-N 3.11Å; M633-G636 CarbonylContact O-C 3.59Å; M633-G636 WeakPolarHBondContact O-CA 3.25Å; M633-G636 PolarHBondContact O-N 2.68Å; M633-G636 VanDerWaalsContact O-N 3.15Å; V634-G636 VanDerWaalsContact C-N 3.3Å; V634-G636 PolarHBondContact O-N 3.26Å; G636-I639 PolarHBondContact O-N 2.99Å; G636-T640 WeakPolarHBondContact O-CB 3.2Å; G636-T640 PolarHBondContact O-N 2.84Å; G636-T640 PolarHBondContact O-OG1 2.92Å; G636-G704 WeakPolarHBondContact O-CA 3.43Å
637	H	98.6	Very high	96.9	Very high	8 Å²	8	8.7 Å²	8.7	4%	0.037	4%	0.042	C	C	.	.	H	α-helix	trans	-58.2	-55.1	176.9	-169.2	92.8	0	0	0	110.5	M633 V634 V635 I639 T640 H641 E697 A700 D701 R768	M633-H637 PolarHBondContact O-N 2.84Å; V634-H637 VanDerWaalsContact O-CB 3.25Å; V634-H637 WeakPolarHBondContact O-CB 3.43Å; V634-H637 PolarHBondContact O-N 3.27Å; V634-H637 VanDerWaalsContact O-N 3.12Å; V635-H637 VanDerWaalsContact C-N 3.34Å; H637-I639 VanDerWaalsContact C-N 3.34Å; H637-I639 PolarHBondContact O-N 3.4Å; H637-T640 WeakPolarHBondContact O-CA 3.2Å; H637-T640 WeakPolarHBondContact O-CB 3.44Å; H637-T640 PolarHBondContact O-N 3.39Å; H637-H641 AromaticContact CD2-CD2 3.65Å; H637-H641 AromaticContact CD2-NE2 3.24Å; H637-H641 PolarHBondContact CD2-NE2 3.07Å; H637-H641 AromaticContact NE2-CD2 3.9Å; H637-H641 AromaticContact NE2-CE1 3.67Å; H637-H641 AromaticContact NE2-NE2 3.02Å; H637-H641 PolarHBondContact NE2-NE2 3.37Å; H637-H641 PolarHBondContact O-N 3.13Å; H637-E697 IonicContact CE1-OE2 3.74Å; H637-E697 PolarHBondContact CE1-OE2 3.47Å; H637-E697 VanDerWaalsContact CE1-OE2 3.23Å; H637-E697 IonicContact NE2-OE2 2.68Å; H637-E697 PolarHBondContact NE2-OE2 2.04Å; H637-A700 WeakPolarHBondContact CE1-CB 3.41Å; H637-A700 VanDerWaalsContact ND1-C 3.29Å; H637-A700 WeakPolarHBondContact ND1-CB 3.49Å; H637-D701 IonicContact CE1-OD1 2.88Å; H637-D701 PolarHBondContact ND1-N 2.76Å; H637-D701 IonicContact ND1-OD1 2.74Å; H637-D701 PolarHBondContact ND1-OD1 3.25Å; H637-R768 PolarHBondContact CE1-NH2 3.07Å
638	E	98.2	Very high	97	Very high	11 Å²	11	8.8 Å²	8.8	5%	0.051	4%	0.044	C	C	.	.	H	α-helix	trans	-62.5	-36	179	-54.9	-47.3	140.7	0	0	113.6	A597 F598 Y599 I606 F608 V634 T640 H641	A597-E638 HydrophobicContact CB-CG 3.76Å; A597-E638 WeakPolarHBondContact CB-OE1 3.35Å; F598-E638 WeakPolarHBondContact CA-OE2 3.38Å; F598-E638 PolarHBondContact N-OE2 2.94Å; Y599-E638 PolarHBondContact N-OE2 2.96Å; I606-E638 HydrophobicContact CB-CB 4.05Å; I606-E638 HydrophobicContact CG2-CB 3.63Å; F608-E638 HydrophobicContact CE1-CB 4.27Å; F608-E638 HydrophobicContact CE1-CG 3.61Å; F608-E638 HydrophobicContact CZ-CB 3.95Å; F608-E638 HydrophobicContact CZ-CG 3.81Å; V634-E638 WeakPolarHBondContact O-CG 3.45Å; V634-E638 PolarHBondContact O-N 3.41Å; E638-T640 VanDerWaalsContact C-N 3.27Å; E638-T640 PolarHBondContact O-N 3.3Å; E638-H641 IonicContact OE2-CD2 2.76Å
639	I	98.5	Very high	96.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.1	-35.1	173.6	-68.5	162.4	0	0	0	110.6	I501 K502 F505 M530 I606 V635 G636 H637 A642	I501-I639 HydrophobicContact CB-CD1 4.35Å; I501-I639 HydrophobicContact CG2-CD1 3.81Å; K502-I639 HydrophobicContact CB-CD1 4.45Å; K502-I639 HydrophobicContact CG-CD1 3.61Å; K502-I639 HydrophobicContact CG-CG1 4.21Å; F505-I639 HydrophobicContact CB-CG2 4.1Å; F505-I639 HydrophobicContact CD1-CG2 3.91Å; F505-I639 HydrophobicContact CD2-CG2 3.89Å; F505-I639 HydrophobicContact CE1-CG2 4.31Å; F505-I639 HydrophobicContact CE2-CG2 4.32Å; F505-I639 HydrophobicContact CG-CG2 3.69Å; M530-I639 HydrophobicContact CE-CG2 4.29Å; M530-I639 HydrophobicContact SD-CB 4.39Å; M530-I639 HydrophobicContact SD-CG1 3.91Å; M530-I639 HydrophobicContact SD-CG2 4.41Å; I606-I639 HydrophobicContact CD1-CD1 4.38Å; I606-I639 HydrophobicContact CD1-CG1 3.78Å; V635-I639 HydrophobicContact CG1-CD1 3.86Å; V635-I639 WeakPolarHBondContact O-CD1 3.49Å; V635-I639 VanDerWaalsContact O-CG1 3.25Å; V635-I639 WeakPolarHBondContact O-CG1 3.15Å; V635-I639 PolarHBondContact O-N 3.39Å; V635-I639 VanDerWaalsContact O-N 3.16Å; G636-I639 PolarHBondContact O-N 2.99Å; H637-I639 VanDerWaalsContact C-N 3.34Å; H637-I639 PolarHBondContact O-N 3.4Å; I639-A642 WeakPolarHBondContact O-CB 3.49Å; I639-A642 PolarHBondContact O-N 3.04Å
640	T	98.5	Very high	97	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-76.2	-29.4	-177.6	-54.2	0	0	0	0	112.3	F505 G636 H637 E638 A642 F643 D644 I699 A700 G704 W800	F505-T640 HydrophobicContact CE2-CG2 4.27Å; F505-T640 WeakPolarHBondContact CE2-OG1 3.43Å; G636-T640 WeakPolarHBondContact O-CB 3.2Å; G636-T640 PolarHBondContact O-N 2.84Å; G636-T640 PolarHBondContact O-OG1 2.92Å; H637-T640 WeakPolarHBondContact O-CA 3.2Å; H637-T640 WeakPolarHBondContact O-CB 3.44Å; H637-T640 PolarHBondContact O-N 3.39Å; E638-T640 VanDerWaalsContact C-N 3.27Å; E638-T640 PolarHBondContact O-N 3.3Å; T640-A642 PolarHBondContact O-N 3.44Å; T640-A642 VanDerWaalsContact O-N 3.15Å; T640-F643 CarbonylContact O-C 3.52Å; T640-F643 WeakPolarHBondContact O-CA 3.39Å; T640-F643 PolarHBondContact O-N 3.48Å; T640-D644 PolarHBondContact O-N 3.15Å; T640-I699 HydrophobicContact CG2-CG2 4.02Å; T640-I699 WeakPolarHBondContact CG2-O 3.42Å; T640-A700 HydrophobicContact CG2-CB 4.48Å; T640-G704 PolarHBondContact OG1-N 2.94Å; T640-W800 VanDerWaalsContact CG2-CD1 3.5Å; T640-W800 HydrophobicContact CG2-CG 4.34Å
641	H	98.3	Very high	97.1	Very high	20 Å²	20	11.4 Å²	11.4	9%	0.093	6%	0.055	C	C	.	.	H	α-helix	trans	-53.8	-32.1	171.2	-82.6	-52.5	0	0	0	113	Y599 H637 E638 F643 D644 G647 E697	Y599-H641 HydrophobicContact CD1-CB 3.69Å; Y599-H641 HydrophobicContact CG-CB 3.95Å; H637-H641 AromaticContact CD2-CD2 3.65Å; H637-H641 AromaticContact CD2-NE2 3.24Å; H637-H641 PolarHBondContact CD2-NE2 3.07Å; H637-H641 AromaticContact NE2-CD2 3.9Å; H637-H641 AromaticContact NE2-CE1 3.67Å; H637-H641 AromaticContact NE2-NE2 3.02Å; H637-H641 PolarHBondContact NE2-NE2 3.37Å; H637-H641 PolarHBondContact O-N 3.13Å; E638-H641 IonicContact OE2-CD2 2.76Å; H641-F643 PolarHBondContact O-N 3.33Å; H641-D644 IonicContact CE1-OD2 3.42Å; H641-D644 IonicContact CG-OD2 3.58Å; H641-D644 IonicContact ND1-OD2 3.63Å; H641-D644 PolarHBondContact ND1-OD2 2.7Å; H641-D644 PolarHBondContact O-N 3.31Å; H641-G647 WeakPolarHBondContact O-CA 3.26Å; H641-E697 IonicContact CE1-OE1 2.87Å; H641-E697 PolarHBondContact CE1-OE1 2.84Å; H641-E697 VanDerWaalsContact CE1-OE1 3.26Å; H641-E697 IonicContact CE1-OE2 2.83Å; H641-E697 PolarHBondContact CE1-OE2 3.18Å; H641-E697 IonicContact NE2-OE1 3.66Å; H641-E697 IonicContact NE2-OE2 3.2Å
642	A	98.1	Very high	97.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-9.1	172.7	0	0	0	0	0	114.8	K526 M530 Y599 I639 T640 G647	K526-A642 PolarHBondContact NZ-O 3.19Å; M530-A642 HydrophobicContact CE-CB 3.39Å; Y599-A642 VanDerWaalsContact CE1-CA 3.49Å; Y599-A642 HydrophobicContact CE1-CB 3.97Å; Y599-A642 HydrophobicContact CE2-CB 3.77Å; Y599-A642 VanDerWaalsContact CZ-CB 3.44Å; Y599-A642 WeakPolarHBondContact OH-CB 3.3Å; I639-A642 WeakPolarHBondContact O-CB 3.49Å; I639-A642 PolarHBondContact O-N 3.04Å; T640-A642 PolarHBondContact O-N 3.44Å; T640-A642 VanDerWaalsContact O-N 3.15Å; A642-G647 CarbonylContact O-C 3.51Å; A642-G647 VanDerWaalsContact O-C 3.31Å
643	F	98	Very high	97.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.6	17.8	-178.3	-51	-87.4	0	0	0	112.5	F505 F509 A523 K526 V527 T640 H641 W659 W660 F668 W800	F505-F643 HydrophobicContact CD1-CE2 4.43Å; F505-F643 AromaticContact CE1-CD2 3.57Å; F505-F643 HydrophobicContact CE1-CD2 3.57Å; F505-F643 AromaticContact CE1-CE2 3.57Å; F505-F643 HydrophobicContact CE1-CE2 3.57Å; F505-F643 HydrophobicContact CE1-CG 4.37Å; F505-F643 HydrophobicContact CE1-CZ 4.37Å; F505-F643 AromaticContact CZ-CD2 3.67Å; F505-F643 HydrophobicContact CZ-CD2 3.67Å; F505-F643 HydrophobicContact CZ-CE2 4.14Å; F505-F643 HydrophobicContact CZ-CG 4.38Å; F509-F643 HydrophobicContact CZ-CD1 4.35Å; F509-F643 AromaticContact CZ-CE1 3.98Å; F509-F643 HydrophobicContact CZ-CE1 3.98Å; F509-F643 HydrophobicContact CZ-CE2 4.47Å; F509-F643 HydrophobicContact CZ-CZ 4.06Å; A523-F643 HydrophobicContact CB-CE1 3.86Å; K526-F643 HydrophobicContact CB-CE1 4.15Å; K526-F643 HydrophobicContact CB-CZ 3.98Å; K526-F643 HydrophobicContact CD-CE1 3.94Å; K526-F643 HydrophobicContact CD-CZ 4.06Å; K526-F643 HydrophobicContact CG-CE1 4.24Å; K526-F643 HydrophobicContact CG-CZ 3.95Å; V527-F643 HydrophobicContact CG2-CE2 3.67Å; V527-F643 HydrophobicContact CG2-CZ 3.55Å; T640-F643 CarbonylContact O-C 3.52Å; T640-F643 WeakPolarHBondContact O-CA 3.39Å; T640-F643 PolarHBondContact O-N 3.48Å; H641-F643 PolarHBondContact O-N 3.33Å; F643-W659 HydrophobicContact CD1-CH2 4.25Å; F643-W659 AromaticContact CE1-CH2 3.98Å; F643-W659 HydrophobicContact CE1-CH2 3.98Å; F643-W660 HydrophobicContact CD1-CZ2 4.47Å; F643-F668 WeakPolarHBondContact O-CE2 3.18Å; F643-W800 HydrophobicContact CB-CD2 4.27Å; F643-W800 VanDerWaalsContact CB-CE2 3.47Å; F643-W800 HydrophobicContact CB-CH2 4.2Å; F643-W800 HydrophobicContact CB-CZ2 3.47Å; F643-W800 VanDerWaalsContact CB-CZ2 3.47Å; F643-W800 HydrophobicContact CG-CZ2 4.45Å; F643-W800 VanDerWaalsContact O-CE2 3.27Å; F643-W800 WeakPolarHBondContact O-CZ2 3.36Å; F643-W800 PolarHBondContact O-NE1 2.96Å
644	D	97	Very high	97.1	Very high	8 Å²	8	19 Å²	19	4%	0.043	9%	0.092	C	C	.	.	S	Bend	trans	-78.1	-173.8	168.6	74.9	26.6	0	0	0	111.7	T640 H641 H646 G647 A648 I699	T640-D644 PolarHBondContact O-N 3.15Å; H641-D644 IonicContact CE1-OD2 3.42Å; H641-D644 IonicContact CG-OD2 3.58Å; H641-D644 IonicContact ND1-OD2 3.63Å; H641-D644 PolarHBondContact ND1-OD2 2.7Å; H641-D644 PolarHBondContact O-N 3.31Å; D644-H646 PolarHBondContact O-N 2.95Å; D644-H646 VanDerWaalsContact O-N 3.11Å; D644-H646 WeakPolarHBondContact OD1-CA 3.38Å; D644-H646 PolarHBondContact OD1-N 2.74Å; D644-G647 PolarHBondContact OD1-N 2.95Å; D644-A648 WeakPolarHBondContact O-CB 3.43Å; D644-A648 PolarHBondContact O-N 3.45Å; D644-I699 HydrophobicContact CB-CB 4.42Å; D644-I699 HydrophobicContact CB-CG2 4.25Å
645	Q	93.3	Very high	97.1	Very high	44 Å²	44	19.4 Å²	19.4	21%	0.206	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.9	-177.3	76.9	-142.9	27.4	0	0	115.1	L695	Q645-L695 HydrophobicContact CB-CD2 4.35Å; Q645-L695 VanDerWaalsContact OE1-C 3.26Å; Q645-L695 VanDerWaalsContact OE1-CD2 3.29Å
646	H	93.6	Very high	97	Very high	63 Å²	63	19.8 Å²	19.8	29%	0.292	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-52.9	178.3	-59.3	155.2	0	0	0	109.4	D644 A648 K649 F650	D644-H646 PolarHBondContact O-N 2.95Å; D644-H646 VanDerWaalsContact O-N 3.11Å; D644-H646 WeakPolarHBondContact OD1-CA 3.38Å; D644-H646 PolarHBondContact OD1-N 2.74Å; H646-A648 PolarHBondContact O-N 3.16Å; H646-K649 WeakPolarHBondContact O-CB 3.5Å; H646-K649 PolarHBondContact O-N 3.46Å; H646-F650 VanDerWaalsContact O-CD2 3.27Å; H646-F650 WeakPolarHBondContact O-CD2 3.36Å; H646-F650 WeakPolarHBondContact O-CE2 3.43Å
647	G	96.3	Very high	96.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-61.2	-31.9	-177.8	0	0	0	0	0	113.3	K526 H641 A642 D644 K649 F650	K526-G647 PolarHBondContact NZ-O 3.09Å; H641-G647 WeakPolarHBondContact O-CA 3.26Å; A642-G647 CarbonylContact O-C 3.51Å; A642-G647 VanDerWaalsContact O-C 3.31Å; D644-G647 PolarHBondContact OD1-N 2.95Å; G647-K649 PolarHBondContact O-N 2.96Å; G647-F650 PolarHBondContact O-N 3.28Å
648	A	96	Very high	96.6	Very high	9 Å²	9	32.6 Å²	32.6	7%	0.074	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-60.7	-20.9	173.3	0	0	0	0	0	113.8	D644 H646 F650 W659 W660 F668	D644-A648 WeakPolarHBondContact O-CB 3.43Å; D644-A648 PolarHBondContact O-N 3.45Å; H646-A648 PolarHBondContact O-N 3.16Å; A648-F650 VanDerWaalsContact C-N 3.3Å; A648-F650 PolarHBondContact O-N 3.26Å; A648-W659 PolarHBondContact O-NE1 3.45Å; A648-W660 HydrophobicContact CB-CH2 3.53Å; A648-W660 HydrophobicContact CB-CZ2 4.22Å; A648-W660 HydrophobicContact CB-CZ3 3.85Å; A648-F668 HydrophobicContact CB-CE1 4.44Å; A648-F668 HydrophobicContact CB-CZ 4.3Å
649	K	96	Very high	96.5	Very high	47 Å²	47	33.1 Å²	33.1	20%	0.204	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-77	-14.1	175	-61.3	-163.2	170.5	-157.1	0	113.8	D350 P351 E352 H646 G647 M656 R657	D350-K649 IonicContact OD1-NZ 2.6Å; D350-K649 PolarHBondContact OD1-NZ 3.09Å; D350-K649 IonicContact OD2-NZ 2.73Å; D350-K649 PolarHBondContact OD2-NZ 3Å; P351-K649 HydrophobicContact CG-CD 4.27Å; E352-K649 HydrophobicContact CB-CD 4.27Å; E352-K649 IonicContact OE2-NZ 2.73Å; E352-K649 PolarHBondContact OE2-NZ 3.47Å; H646-K649 WeakPolarHBondContact O-CB 3.5Å; H646-K649 PolarHBondContact O-N 3.46Å; G647-K649 PolarHBondContact O-N 2.96Å; K649-M656 HydrophobicContact CB-CG 4.26Å; K649-M656 WeakPolarHBondContact O-CA 3.39Å; K649-R657 PolarHBondContact O-N 3.41Å; K649-R657 VanDerWaalsContact O-O 3.13Å
650	F	97.5	Very high	96.4	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.018	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-100.8	135.3	-178.9	-61.2	-97.1	0	0	0	111.3	Q271 K526 E601 N602 H646 G647 A648 N655 M656 W659	Q271-F650 HydrophobicContact CB-CE1 4.25Å; Q271-F650 HydrophobicContact CG-CE1 4.44Å; K526-F650 WeakPolarHBondContact CE-O 3.31Å; K526-F650 PolarHBondContact NZ-O 2.97Å; E601-F650 HydrophobicContact CB-CB 4.47Å; E601-F650 HydrophobicContact CB-CD1 4.01Å; E601-F650 HydrophobicContact CB-CD2 3.7Å; E601-F650 HydrophobicContact CB-CE1 4.14Å; E601-F650 HydrophobicContact CB-CE2 3.86Å; E601-F650 HydrophobicContact CB-CG 3.79Å; E601-F650 HydrophobicContact CB-CZ 4.07Å; E601-F650 HydrophobicContact CG-CD2 3.87Å; E601-F650 HydrophobicContact CG-CE2 3.86Å; E601-F650 HydrophobicContact CG-CG 4.46Å; E601-F650 HydrophobicContact CG-CZ 4.43Å; N602-F650 WeakPolarHBondContact ND2-CE1 3.49Å; H646-F650 VanDerWaalsContact O-CD2 3.27Å; H646-F650 WeakPolarHBondContact O-CD2 3.36Å; H646-F650 WeakPolarHBondContact O-CE2 3.43Å; G647-F650 PolarHBondContact O-N 3.28Å; A648-F650 VanDerWaalsContact C-N 3.3Å; A648-F650 PolarHBondContact O-N 3.26Å; F650-N655 WeakPolarHBondContact CA-O 3.41Å; F650-M656 HydrophobicContact CD1-CB 3.96Å; F650-M656 HydrophobicContact CE1-CB 3.72Å; F650-M656 HydrophobicContact CE1-CG 4.49Å; F650-M656 HydrophobicContact CZ-CB 4.19Å; F650-M656 HydrophobicContact CZ-CG 4.5Å; F650-M656 HydrophobicContact CZ-SD 4.32Å; F650-W659 PolarHBondContact O-NE1 2.87Å
651	D	97.3	Very high	96.3	Very high	7 Å²	7	36 Å²	36	4%	0.037	17%	0.17	C	C	.	.			trans	-75.8	-177	178.5	76.3	0.4	0	0	0	113.6	K653 G654 N655 R657 W659	D651-K653 PolarHBondContact O-N 2.82Å; D651-K653 VanDerWaalsContact O-N 3.08Å; D651-K653 VanDerWaalsContact OD1-C 3.27Å; D651-K653 VanDerWaalsContact OD1-CA 3.29Å; D651-K653 WeakPolarHBondContact OD1-CA 3.31Å; D651-K653 WeakPolarHBondContact OD1-CB 3.37Å; D651-K653 PolarHBondContact OD1-N 3.13Å; D651-G654 PolarHBondContact O-N 3.29Å; D651-G654 PolarHBondContact OD1-N 3.16Å; D651-N655 PolarHBondContact N-O 3.28Å; D651-N655 PolarHBondContact OD1-N 2.89Å; D651-N655 PolarHBondContact OD1-ND2 3.47Å; D651-N655 PolarHBondContact OD2-ND2 2.88Å; D651-R657 IonicContact OD2-CZ 2.61Å; D651-R657 IonicContact OD2-NE 2.72Å; D651-R657 PolarHBondContact OD2-NE 3.36Å; D651-R657 IonicContact OD2-NH2 3.93Å; D651-R657 PolarHBondContact OD2-NH2 3.25Å; D651-W659 HydrophobicContact CB-CB 4.45Å; D651-W659 HydrophobicContact CB-CG 4.19Å
652	A	97.4	Very high	96.2	Very high	16 Å²	16	38.5 Å²	38.5	13%	0.132	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.4	175.8	0	0	0	0	0	114.9	E525 K526 S529 N604	E525-A652 HydrophobicContact CG-CB 4.13Å; K526-A652 HydrophobicContact CB-CB 4.14Å; S529-A652 PolarHBondContact OG-O 3.48Å; S529-A652 VanDerWaalsContact OG-O 3.12Å; N604-A652 PolarHBondContact ND2-O 3.11Å
653	K	96.7	Very high	96.2	Very high	147 Å²	147	44.3 Å²	44.3	64%	0.639	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	4.3	179.9	-64.2	-179.8	-177.7	-176.9	0	112.6	S274 D651 N655	S274-K653 WeakPolarHBondContact CB-O 3.49Å; S274-K653 PolarHBondContact OG-O 2.83Å; D651-K653 PolarHBondContact O-N 2.82Å; D651-K653 VanDerWaalsContact O-N 3.08Å; D651-K653 VanDerWaalsContact OD1-C 3.27Å; D651-K653 VanDerWaalsContact OD1-CA 3.29Å; D651-K653 WeakPolarHBondContact OD1-CA 3.31Å; D651-K653 WeakPolarHBondContact OD1-CB 3.37Å; D651-K653 PolarHBondContact OD1-N 3.13Å; K653-N655 VanDerWaalsContact CB-ND2 3.29Å; K653-N655 WeakPolarHBondContact CB-ND2 3.34Å
654	G	96.6	Very high	96.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	76.5	26	-178.5	0	0	0	0	0	114.9	E601 N602 D651	E601-G654 VanDerWaalsContact O-CA 3.27Å; E601-G654 WeakPolarHBondContact O-CA 3.39Å; N602-G654 WeakPolarHBondContact CA-O 3.34Å; N602-G654 PolarHBondContact ND2-O 2.88Å; D651-G654 PolarHBondContact O-N 3.29Å; D651-G654 PolarHBondContact OD1-N 3.16Å
655	N	97.4	Very high	96.2	Very high	21 Å²	21	47 Å²	47	11%	0.112	24%	0.235	C	C	.	.			trans	-100.2	128.3	173.6	-50.5	-82.4	0	0	0	110.3	N273 S274 F650 D651 K653 R657	N273-N655 VanDerWaalsContact CA-OD1 3.26Å; N273-N655 WeakPolarHBondContact CA-OD1 3.19Å; S274-N655 PolarHBondContact N-OD1 3.32Å; S274-N655 PolarHBondContact OG-OD1 3.3Å; F650-N655 WeakPolarHBondContact CA-O 3.41Å; D651-N655 PolarHBondContact N-O 3.28Å; D651-N655 PolarHBondContact OD1-N 2.89Å; D651-N655 PolarHBondContact OD1-ND2 3.47Å; D651-N655 PolarHBondContact OD2-ND2 2.88Å; K653-N655 VanDerWaalsContact CB-ND2 3.29Å; K653-N655 WeakPolarHBondContact CB-ND2 3.34Å; N655-R657 PolarHBondContact O-N 2.97Å
656	M	96.4	Very high	96.3	Very high	11 Å²	11	47.6 Å²	47.6	5%	0.054	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-69.4	113.5	172.7	-173.7	169.1	63.8	0	0	110.1	Q271 M272 P351 E352 Y355 K649 F650	Q271-M656 HydrophobicContact CB-CB 4.41Å; Q271-M656 HydrophobicContact CB-CE 4Å; Q271-M656 WeakPolarHBondContact O-CB 3.32Å; Q271-M656 PolarHBondContact O-N 2.99Å; M272-M656 HydrophobicContact CE-CE 3.95Å; M272-M656 HydrophobicContact CG-CE 4.21Å; P351-M656 HydrophobicContact CB-SD 4.07Å; P351-M656 HydrophobicContact CG-SD 4.34Å; P351-M656 WeakPolarHBondContact O-CE 3.18Å; E352-M656 HydrophobicContact CB-CE 4.39Å; E352-M656 HydrophobicContact CB-SD 3.94Å; Y355-M656 HydrophobicContact CD1-CE 4.12Å; Y355-M656 HydrophobicContact CG-CE 4.18Å; K649-M656 HydrophobicContact CB-CG 4.26Å; K649-M656 WeakPolarHBondContact O-CA 3.39Å; F650-M656 HydrophobicContact CD1-CB 3.96Å; F650-M656 HydrophobicContact CE1-CB 3.72Å; F650-M656 HydrophobicContact CE1-CG 4.49Å; F650-M656 HydrophobicContact CZ-CB 4.19Å; F650-M656 HydrophobicContact CZ-CG 4.5Å; F650-M656 HydrophobicContact CZ-SD 4.32Å
657	R	94.8	Very high	96.5	Very high	147 Å²	147	45.6 Å²	45.6	56%	0.555	24%	0.242	S	C	*	.	S	Bend	trans	-169.9	160.7	177.7	55.5	-179.1	176.8	151.7	-1.2	110.7	K649 D651 N655 W659	K649-R657 PolarHBondContact O-N 3.41Å; K649-R657 VanDerWaalsContact O-O 3.13Å; D651-R657 IonicContact OD2-CZ 2.61Å; D651-R657 IonicContact OD2-NE 2.72Å; D651-R657 PolarHBondContact OD2-NE 3.36Å; D651-R657 IonicContact OD2-NH2 3.93Å; D651-R657 PolarHBondContact OD2-NH2 3.25Å; N655-R657 PolarHBondContact O-N 2.97Å; R657-W659 VanDerWaalsContact O-CD1 3.26Å; R657-W659 PolarHBondContact O-N 2.96Å; R657-W659 VanDerWaalsContact O-N 3.1Å
658	D	92.4	Very high	96.6	Very high	130 Å²	130	46.1 Å²	46.1	70%	0.695	24%	0.244	S	C	*	.			trans	-66.4	111.1	168.1	-67.1	-36.7	0	0	0	111
659	W	96.1	Very high	96.6	Very high	22 Å²	22	51.3 Å²	51.3	8%	0.083	27%	0.267	C	S	.	.			trans	-117.7	-5.5	173.5	62.4	-81.8	0	0	0	113.6	K522 A523 K526 F643 A648 F650 D651 R657	K522-W659 HydrophobicContact CB-CE3 3.66Å; K522-W659 HydrophobicContact CB-CZ3 3.76Å; K522-W659 HydrophobicContact CD-CE3 4.2Å; K522-W659 WeakPolarHBondContact CD-O 3.43Å; K522-W659 WeakPolarHBondContact CE-O 3.44Å; K522-W659 PolarHBondContact NZ-O 3.5Å; A523-W659 HydrophobicContact CB-CH2 4.29Å; A523-W659 HydrophobicContact CB-CZ3 4.22Å; K526-W659 HydrophobicContact CD-CH2 4.12Å; K526-W659 HydrophobicContact CD-CZ2 4.02Å; F643-W659 HydrophobicContact CD1-CH2 4.25Å; F643-W659 AromaticContact CE1-CH2 3.98Å; F643-W659 HydrophobicContact CE1-CH2 3.98Å; A648-W659 PolarHBondContact O-NE1 3.45Å; F650-W659 PolarHBondContact O-NE1 2.87Å; D651-W659 HydrophobicContact CB-CB 4.45Å; D651-W659 HydrophobicContact CB-CG 4.19Å; R657-W659 VanDerWaalsContact O-CD1 3.26Å; R657-W659 PolarHBondContact O-N 2.96Å; R657-W659 VanDerWaalsContact O-N 3.1Å
660	W	96.1	Very high	96.7	Very high	28 Å²	28	56.8 Å²	56.8	11%	0.106	29%	0.291	C	S	.	.	S	Bend	trans	-96.7	161.5	168.3	-71.6	-11.2	0	0	0	112.2	M515 D519 F643 A648 T664 F668 W800	M515-W660 HydrophobicContact CE-CZ2 4.21Å; D519-W660 HydrophobicContact CB-CG 4.49Å; F643-W660 HydrophobicContact CD1-CZ2 4.47Å; A648-W660 HydrophobicContact CB-CH2 3.53Å; A648-W660 HydrophobicContact CB-CZ2 4.22Å; A648-W660 HydrophobicContact CB-CZ3 3.85Å; W660-T664 HydrophobicContact CB-CG2 4Å; W660-T664 HydrophobicContact CD2-CG2 3.7Å; W660-T664 HydrophobicContact CE3-CG2 3.88Å; W660-T664 HydrophobicContact CG-CG2 3.77Å; W660-F668 HydrophobicContact CE3-CB 4.43Å; W660-F668 HydrophobicContact CH2-CD2 4.02Å; W660-F668 HydrophobicContact CH2-CE2 4.38Å; W660-F668 HydrophobicContact CH2-CG 4.21Å; W660-F668 HydrophobicContact CZ3-CB 3.76Å; W660-F668 HydrophobicContact CZ3-CD1 4.01Å; W660-F668 AromaticContact CZ3-CD2 3.91Å; W660-F668 HydrophobicContact CZ3-CD2 3.91Å; W660-F668 AromaticContact CZ3-CG 3.62Å; W660-F668 HydrophobicContact CZ3-CG 3.62Å; W660-W800 AromaticContact CH2-CH2 3.64Å; W660-W800 HydrophobicContact CH2-CH2 3.64Å; W660-W800 AromaticContact CH2-CZ2 3.84Å; W660-W800 HydrophobicContact CH2-CZ2 3.84Å; W660-W800 AromaticContact CZ2-CH2 3.84Å; W660-W800 HydrophobicContact CZ2-CH2 3.84Å; W660-W800 HydrophobicContact CZ2-CZ2 4.35Å
661	S	97.2	Very high	96.7	Very high	31 Å²	31	58.5 Å²	58.5	22%	0.217	30%	0.3	C	S	.	.			trans	-69.5	155.1	163.6	59.8	0	0	0	0	111.4	Q516 D519 E663 T664 L665	Q516-S661 WeakPolarHBondContact CG-OG 3.38Å; D519-S661 PolarHBondContact OD1-N 3.18Å; D519-S661 VanDerWaalsContact OD2-CB 3.31Å; D519-S661 WeakPolarHBondContact OD2-CB 3.46Å; D519-S661 PolarHBondContact OD2-N 2.93Å; D519-S661 PolarHBondContact OD2-OG 3.11Å; S661-E663 WeakPolarHBondContact CB-OE2 3.26Å; S661-E663 PolarHBondContact O-N 2.94Å; S661-T664 PolarHBondContact O-N 3.45Å; S661-T664 VanDerWaalsContact O-N 3.13Å; S661-T664 WeakPolarHBondContact OG-CB 3.37Å; S661-T664 PolarHBondContact OG-N 3.06Å; S661-T664 PolarHBondContact OG-OG1 3.18Å; S661-T664 VanDerWaalsContact OG-OG1 3.1Å; S661-L665 PolarHBondContact O-N 3.41Å
662	A	97.1	Very high	96.8	Very high	73 Å²	73	58.3 Å²	58.3	60%	0.603	30%	0.299	S	S	*	.	H	α-helix	trans	-60.2	-33.3	177.4	0	0	0	0	0	111.9	L665 A666	A662-L665 PolarHBondContact O-N 3.47Å; A662-A666 WeakPolarHBondContact O-CB 3.37Å; A662-A666 PolarHBondContact O-N 3.1Å
663	E	97.6	Very high	96.8	Very high	123 Å²	123	61.7 Å²	61.7	58%	0.575	31%	0.312	S	S	*	.	H	α-helix	trans	-65.1	-44.4	174.7	-63.7	79.3	-178.2	0	0	112	S661 A667	S661-E663 WeakPolarHBondContact CB-OE2 3.26Å; S661-E663 PolarHBondContact O-N 2.94Å; E663-A667 VanDerWaalsContact O-CB 3.25Å; E663-A667 WeakPolarHBondContact O-CB 3.22Å; E663-A667 PolarHBondContact O-N 3.34Å; E663-A667 VanDerWaalsContact O-N 3.1Å
664	T	97.8	Very high	96.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-41.5	175.2	-67.6	0	0	0	0	110.9	W514 M515 Q516 D519 W660 S661 A667 F668	W514-T664 HydrophobicContact CZ3-CG2 3.93Å; M515-T664 HydrophobicContact CB-CG2 4.33Å; M515-T664 HydrophobicContact CE-CG2 4.09Å; M515-T664 HydrophobicContact CG-CG2 4.03Å; Q516-T664 PolarHBondContact N-OG1 3.49Å; Q516-T664 VanDerWaalsContact N-OG1 3.13Å; D519-T664 HydrophobicContact CB-CG2 4.16Å; D519-T664 VanDerWaalsContact OD2-CB 3.23Å; D519-T664 WeakPolarHBondContact OD2-CB 3.19Å; D519-T664 PolarHBondContact OD2-OG1 2.95Å; W660-T664 HydrophobicContact CB-CG2 4Å; W660-T664 HydrophobicContact CD2-CG2 3.7Å; W660-T664 HydrophobicContact CE3-CG2 3.88Å; W660-T664 HydrophobicContact CG-CG2 3.77Å; S661-T664 PolarHBondContact O-N 3.45Å; S661-T664 VanDerWaalsContact O-N 3.13Å; S661-T664 WeakPolarHBondContact OG-CB 3.37Å; S661-T664 PolarHBondContact OG-N 3.06Å; S661-T664 PolarHBondContact OG-OG1 3.18Å; S661-T664 VanDerWaalsContact OG-OG1 3.1Å; T664-A667 PolarHBondContact O-N 3.39Å; T664-F668 WeakPolarHBondContact O-CB 2.87Å; T664-F668 PolarHBondContact O-N 2.81Å
665	L	96.1	Very high	97	Very high	65 Å²	65	55.8 Å²	55.8	34%	0.34	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-51.8	178.7	-178.2	62.4	0	0	0	112	S661 A662 A667 F668 E669	S661-L665 PolarHBondContact O-N 3.41Å; A662-L665 PolarHBondContact O-N 3.47Å; L665-A667 PolarHBondContact O-N 3.19Å; L665-F668 WeakPolarHBondContact O-CB 3.42Å; L665-F668 PolarHBondContact O-N 3.49Å; L665-E669 WeakPolarHBondContact O-CG 3.28Å; L665-E669 PolarHBondContact O-N 3.23Å
666	A	97.1	Very high	97	Very high	55 Å²	55	56 Å²	56	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-31	177.7	0	0	0	0	0	112.5	A662 K670	A662-A666 WeakPolarHBondContact O-CB 3.37Å; A662-A666 PolarHBondContact O-N 3.1Å; A666-K670 WeakPolarHBondContact O-CB 3.06Å; A666-K670 PolarHBondContact O-N 3.07Å; A666-K670 VanDerWaalsContact O-N 3.14Å
667	A	97.6	Very high	97.1	Very high	21 Å²	21	59.3 Å²	59.3	17%	0.174	31%	0.308	C	S	.	.	H	α-helix	trans	-72.4	-40	173.3	0	0	0	0	0	112.6	W514 E663 T664 L665 K670 N671	W514-A667 HydrophobicContact CB-CB 4.22Å; W514-A667 HydrophobicContact CD2-CB 4.46Å; W514-A667 HydrophobicContact CE3-CB 3.75Å; E663-A667 VanDerWaalsContact O-CB 3.25Å; E663-A667 WeakPolarHBondContact O-CB 3.22Å; E663-A667 PolarHBondContact O-N 3.34Å; E663-A667 VanDerWaalsContact O-N 3.1Å; T664-A667 PolarHBondContact O-N 3.39Å; L665-A667 PolarHBondContact O-N 3.19Å; A667-K670 PolarHBondContact O-N 3.05Å; A667-N671 PolarHBondContact O-N 3.46Å; A667-N671 PolarHBondContact O-ND2 3.44Å
668	F	97.9	Very high	97.3	Very high	12 Å²	12	53.6 Å²	53.6	5%	0.053	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-49.3	173.1	172.1	-102	0	0	0	111.6	W514 F643 A648 W660 T664 L665 K670 N671 S672 I699 V799 W800	W514-F668 HydrophobicContact CH2-CB 3.77Å; W514-F668 AromaticContact CH2-CD2 3.82Å; W514-F668 HydrophobicContact CH2-CD2 3.82Å; W514-F668 HydrophobicContact CH2-CG 4.29Å; W514-F668 HydrophobicContact CZ2-CD2 4.38Å; W514-F668 HydrophobicContact CZ3-CB 3.68Å; F643-F668 WeakPolarHBondContact O-CE2 3.18Å; A648-F668 HydrophobicContact CB-CE1 4.44Å; A648-F668 HydrophobicContact CB-CZ 4.3Å; W660-F668 HydrophobicContact CE3-CB 4.43Å; W660-F668 HydrophobicContact CH2-CD2 4.02Å; W660-F668 HydrophobicContact CH2-CE2 4.38Å; W660-F668 HydrophobicContact CH2-CG 4.21Å; W660-F668 HydrophobicContact CZ3-CB 3.76Å; W660-F668 HydrophobicContact CZ3-CD1 4.01Å; W660-F668 AromaticContact CZ3-CD2 3.91Å; W660-F668 HydrophobicContact CZ3-CD2 3.91Å; W660-F668 AromaticContact CZ3-CG 3.62Å; W660-F668 HydrophobicContact CZ3-CG 3.62Å; T664-F668 WeakPolarHBondContact O-CB 2.87Å; T664-F668 PolarHBondContact O-N 2.81Å; L665-F668 WeakPolarHBondContact O-CB 3.42Å; L665-F668 PolarHBondContact O-N 3.49Å; F668-K670 VanDerWaalsContact C-N 3.34Å; F668-K670 PolarHBondContact O-N 3.23Å; F668-N671 PolarHBondContact O-N 3.26Å; F668-S672 WeakPolarHBondContact O-CB 3.41Å; F668-S672 PolarHBondContact O-N 2.86Å; F668-S672 PolarHBondContact O-OG 2.91Å; F668-I699 HydrophobicContact CZ-CD1 4.3Å; F668-V799 HydrophobicContact CD2-CG1 3.72Å; F668-V799 HydrophobicContact CE2-CG1 3.61Å; F668-W800 HydrophobicContact CD2-CH2 4.28Å; F668-W800 AromaticContact CD2-CZ2 3.76Å; F668-W800 HydrophobicContact CD2-CZ2 3.76Å; F668-W800 AromaticContact CE2-CZ2 3.61Å; F668-W800 HydrophobicContact CE2-CZ2 3.61Å
669	E	96.5	Very high	97.5	Very high	117 Å²	117	47.4 Å²	47.4	55%	0.547	25%	0.254	S	S	.	.	H	α-helix	trans	-55.9	-47.5	176.1	-70.5	175.5	167.3	0	0	111.5	L665 N671 S672 Q673	L665-E669 WeakPolarHBondContact O-CG 3.28Å; L665-E669 PolarHBondContact O-N 3.23Å; E669-N671 PolarHBondContact O-N 3.1Å; E669-S672 PolarHBondContact O-N 3.42Å; E669-Q673 WeakPolarHBondContact O-CB 3.4Å; E669-Q673 PolarHBondContact O-N 3.32Å
670	K	97.7	Very high	97.6	Very high	163 Å²	163	48.5 Å²	48.5	71%	0.709	27%	0.265	S	S	*	.	H	α-helix	trans	-60.4	-40.3	178.2	-179.2	-176.4	176.6	-175.7	0	113.1	A666 A667 F668	A666-K670 WeakPolarHBondContact O-CB 3.06Å; A666-K670 PolarHBondContact O-N 3.07Å; A666-K670 VanDerWaalsContact O-N 3.14Å; A667-K670 PolarHBondContact O-N 3.05Å; F668-K670 VanDerWaalsContact C-N 3.34Å; F668-K670 PolarHBondContact O-N 3.23Å
671	N	97.6	Very high	97.7	Very high	39 Å²	39	53.7 Å²	53.7	21%	0.209	30%	0.295	C	S	.	.	H	α-helix	trans	-72.8	-39.1	177.8	-70.4	-44	0	0	0	111.4	W514 A667 F668 E669 Q673 C674 H798 V799	W514-N671 VanDerWaalsContact CD2-ND2 3.35Å; W514-N671 PolarHBondContact NE1-ND2 3.24Å; A667-N671 PolarHBondContact O-N 3.46Å; A667-N671 PolarHBondContact O-ND2 3.44Å; F668-N671 PolarHBondContact O-N 3.26Å; E669-N671 PolarHBondContact O-N 3.1Å; N671-Q673 VanDerWaalsContact C-N 3.35Å; N671-Q673 PolarHBondContact O-N 3.09Å; N671-C674 WeakPolarHBondContact O-CB 3.11Å; N671-C674 PolarHBondContact O-N 3.31Å; N671-C674 VanDerWaalsContact O-N 3.13Å; N671-H798 WeakPolarHBondContact CB-O 3.23Å; N671-V799 HydrophobicContact CB-CG2 4.12Å
672	S	97.8	Very high	97.7	Very high	4 Å²	4	53.9 Å²	53.9	3%	0.028	29%	0.291	C	S	.	.	H	α-helix	trans	-64.1	-37.8	176.3	-59.1	0	0	0	0	112.1	F668 E669 C674 M675 I676 L695	F668-S672 WeakPolarHBondContact O-CB 3.41Å; F668-S672 PolarHBondContact O-N 2.86Å; F668-S672 PolarHBondContact O-OG 2.91Å; E669-S672 PolarHBondContact O-N 3.42Å; S672-C674 PolarHBondContact O-N 3.04Å; S672-C674 VanDerWaalsContact O-N 3.16Å; S672-M675 PolarHBondContact O-N 2.91Å; S672-I676 PolarHBondContact O-N 3.41Å; S672-I676 VanDerWaalsContact O-N 3.08Å; S672-L695 WeakPolarHBondContact O-CD1 3.41Å
673	Q	98.1	Very high	97.7	Very high	87 Å²	87	53.4 Å²	53.4	41%	0.407	28%	0.283	S	S	.	.	H	α-helix	trans	-56.3	-31.4	173	-174.3	62.2	54.7	0	0	112.6	E669 N671 M675 I676 D677	E669-Q673 WeakPolarHBondContact O-CB 3.4Å; E669-Q673 PolarHBondContact O-N 3.32Å; N671-Q673 VanDerWaalsContact C-N 3.35Å; N671-Q673 PolarHBondContact O-N 3.09Å; Q673-M675 VanDerWaalsContact C-N 3.3Å; Q673-M675 PolarHBondContact O-N 3.09Å; Q673-I676 PolarHBondContact O-N 3.47Å; Q673-D677 PolarHBondContact NE2-OD1 3.02Å; Q673-D677 PolarHBondContact O-N 2.98Å
674	C	98.5	Very high	97.6	Very high	20 Å²	20	49.6 Å²	49.6	14%	0.135	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-42.9	173.9	-168.7	0	0	0	0	111.6	N671 S672 D677 Q678 K795 C797	N671-C674 WeakPolarHBondContact O-CB 3.11Å; N671-C674 PolarHBondContact O-N 3.31Å; N671-C674 VanDerWaalsContact O-N 3.13Å; S672-C674 PolarHBondContact O-N 3.04Å; S672-C674 VanDerWaalsContact O-N 3.16Å; C674-D677 PolarHBondContact O-N 3.07Å; C674-Q678 WeakPolarHBondContact O-CB 3.5Å; C674-Q678 PolarHBondContact O-N 3Å; C674-K795 VanDerWaalsContact SG-CE 3.55Å; C674-C797 HydrophobicContact CB-CB 3.7Å; C674-C797 WeakPolarHBondContact CB-SG 3.46Å; C674-C797 PolarHBondContact O-SG 3.26Å; C674-C797 WeakPolarHBondContact SG-CA 3.49Å; C674-C797 WeakPolarHBondContact SG-CB 3.49Å; C674-C797 CovalentContact SG-SG 2.04Å; C674-C797 PolarHBondContact SG-SG 3.23Å
675	M	98.3	Very high	97.4	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-72	-37.1	177.6	-67.7	-178.9	174.2	0	0	111.6	S672 Q673 D677 Q678 Y679 L695 I699 N702 C797 V799	S672-M675 PolarHBondContact O-N 2.91Å; Q673-M675 VanDerWaalsContact C-N 3.3Å; Q673-M675 PolarHBondContact O-N 3.09Å; M675-D677 VanDerWaalsContact C-N 3.34Å; M675-D677 PolarHBondContact O-N 3.21Å; M675-Q678 PolarHBondContact O-N 2.89Å; M675-Y679 HydrophobicContact CB-CD2 4.48Å; M675-Y679 WeakPolarHBondContact O-CD2 3.14Å; M675-Y679 PolarHBondContact O-N 3.46Å; M675-L695 HydrophobicContact CB-CD1 3.8Å; M675-I699 HydrophobicContact SD-CB 4.48Å; M675-I699 HydrophobicContact SD-CG1 3.73Å; M675-N702 HydrophobicContact CE-CB 3.62Å; M675-C797 HydrophobicContact CE-CB 4.38Å; M675-C797 HydrophobicContact CG-CB 3.8Å; M675-V799 HydrophobicContact CE-CG2 4.07Å; M675-V799 HydrophobicContact SD-CG2 3.98Å
676	I	98.1	Very high	97.2	Very high	27 Å²	27	58.9 Å²	58.9	14%	0.138	32%	0.316	C	S	.	.	H	α-helix	trans	-55	-51.6	170.3	-59.4	-179.1	0	0	0	109.9	S672 Q673 Q678 S680 K692 L695	S672-I676 PolarHBondContact O-N 3.41Å; S672-I676 VanDerWaalsContact O-N 3.08Å; Q673-I676 PolarHBondContact O-N 3.47Å; I676-Q678 PolarHBondContact O-N 2.69Å; I676-S680 WeakPolarHBondContact O-CB 3.43Å; I676-S680 PolarHBondContact O-N 3.3Å; I676-S680 PolarHBondContact O-OG 3.03Å; I676-K692 HydrophobicContact CD1-CB 4.4Å; I676-K692 HydrophobicContact CD1-CG 4.44Å; I676-K692 HydrophobicContact CG2-CB 4.29Å; I676-L695 HydrophobicContact CD1-CD2 3.98Å; I676-L695 HydrophobicContact CG1-CB 4.41Å; I676-L695 HydrophobicContact CG1-CD1 3.98Å; I676-L695 HydrophobicContact CG1-CD2 3.9Å; I676-L695 HydrophobicContact CG1-CG 4.32Å
677	D	98.4	Very high	97	Very high	79 Å²	79	57 Å²	57	42%	0.422	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-45.9	179.9	-62.4	-12.9	0	0	0	111.7	Q673 C674 M675 N681 K795	Q673-D677 PolarHBondContact NE2-OD1 3.02Å; Q673-D677 PolarHBondContact O-N 2.98Å; C674-D677 PolarHBondContact O-N 3.07Å; M675-D677 VanDerWaalsContact C-N 3.34Å; M675-D677 PolarHBondContact O-N 3.21Å; D677-N681 WeakPolarHBondContact O-CB 3.37Å; D677-N681 PolarHBondContact O-N 3.11Å; D677-K795 IonicContact OD2-NZ 2.97Å
678	Q	98.5	Very high	96.8	Very high	28 Å²	28	59.8 Å²	59.8	13%	0.131	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-54.8	-178.7	178	-171.5	2.2	0	0	111.2	C674 M675 I676 N681 Y682 G771 T774 N775	C674-Q678 WeakPolarHBondContact O-CB 3.5Å; C674-Q678 PolarHBondContact O-N 3Å; M675-Q678 PolarHBondContact O-N 2.89Å; I676-Q678 PolarHBondContact O-N 2.69Å; Q678-N681 WeakPolarHBondContact O-CB 3.13Å; Q678-N681 PolarHBondContact O-N 3.46Å; Q678-Y682 HydrophobicContact CG-CE2 4.22Å; Q678-Y682 PolarHBondContact NE2-OH 2.93Å; Q678-G771 PolarHBondContact NE2-O 3.27Å; Q678-T774 PolarHBondContact NE2-OG1 3.44Å; Q678-T774 VanDerWaalsContact NE2-OG1 3.12Å; Q678-N775 PolarHBondContact NE2-ND2 3.09Å; Q678-N775 PolarHBondContact OE1-ND2 3.25Å; Q678-N775 PolarHBondContact OE1-OD1 2.73Å
679	Y	98.4	Very high	96.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-74.3	-30.4	-174.1	-77.1	-105.3	0	0	0	111.8	M675 N681 Y682 L689 N698 N702 T763 G771	M675-Y679 HydrophobicContact CB-CD2 4.48Å; M675-Y679 WeakPolarHBondContact O-CD2 3.14Å; M675-Y679 PolarHBondContact O-N 3.46Å; Y679-N681 PolarHBondContact O-N 3.41Å; Y679-Y682 HydrophobicContact CD1-CD2 4.13Å; Y679-Y682 HydrophobicContact CD1-CE2 4.13Å; Y679-Y682 HydrophobicContact CE1-CE2 4.45Å; Y679-Y682 HydrophobicContact CG-CD2 4.28Å; Y679-Y682 HydrophobicContact CG-CE2 4.2Å; Y679-Y682 PolarHBondContact O-N 2.88Å; Y679-Y682 VanDerWaalsContact O-N 3.15Å; Y679-L689 WeakPolarHBondContact O-CB 3.15Å; Y679-N698 HydrophobicContact CD1-CB 4.48Å; Y679-N698 VanDerWaalsContact CD1-CG 3.49Å; Y679-N698 WeakPolarHBondContact CD1-ND2 3.31Å; Y679-N698 WeakPolarHBondContact CD1-OD1 3.47Å; Y679-N698 HydrophobicContact CD2-CB 4.22Å; Y679-N698 HydrophobicContact CE1-CB 4.15Å; Y679-N698 VanDerWaalsContact CE1-CG 3.44Å; Y679-N698 WeakPolarHBondContact CE1-OD1 3.44Å; Y679-N698 HydrophobicContact CE2-CB 3.87Å; Y679-N698 VanDerWaalsContact CG-ND2 3.3Å; Y679-N702 PolarHBondContact OH-ND2 2.73Å; Y679-N702 VanDerWaalsContact OH-ND2 3.13Å; Y679-T763 HydrophobicContact CD1-CG2 3.88Å; Y679-T763 WeakPolarHBondContact CD1-OG1 3.39Å; Y679-T763 HydrophobicContact CE1-CG2 3.9Å; Y679-G771 VanDerWaalsContact OH-C 3.3Å; Y679-G771 WeakPolarHBondContact OH-CA 3.36Å
680	S	98.1	Very high	96.7	Very high	44 Å²	44	56.8 Å²	56.8	31%	0.308	31%	0.306	S	S	.	.	H	α-helix	trans	-69	-18.1	173.4	-52.8	0	0	0	0	113.8	I676 Y682 L689 G691	I676-S680 WeakPolarHBondContact O-CB 3.43Å; I676-S680 PolarHBondContact O-N 3.3Å; I676-S680 PolarHBondContact O-OG 3.03Å; S680-Y682 VanDerWaalsContact C-N 3.35Å; S680-L689 WeakPolarHBondContact CA-O 3.45Å; S680-G691 WeakPolarHBondContact OG-CA 3.45Å; S680-G691 PolarHBondContact OG-N 3Å; S680-G691 VanDerWaalsContact OG-N 3.09Å
681	N	97.7	Very high	96.7	Very high	137 Å²	137	49 Å²	49	73%	0.733	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-9	174.2	-170.6	70.4	0	0	0	113.1	D677 Q678 Y679	D677-N681 WeakPolarHBondContact O-CB 3.37Å; D677-N681 PolarHBondContact O-N 3.11Å; Q678-N681 WeakPolarHBondContact O-CB 3.13Å; Q678-N681 PolarHBondContact O-N 3.46Å; Y679-N681 PolarHBondContact O-N 3.41Å
682	Y	97.9	Very high	96.6	Very high	36 Å²	36	51 Å²	51	14%	0.141	28%	0.278	C	S	.	.			trans	-82.1	147.4	170.1	-60	-42.1	0	0	0	111	Q678 Y679 S680 S688 L689 Y767	Q678-Y682 HydrophobicContact CG-CE2 4.22Å; Q678-Y682 PolarHBondContact NE2-OH 2.93Å; Y679-Y682 HydrophobicContact CD1-CD2 4.13Å; Y679-Y682 HydrophobicContact CD1-CE2 4.13Å; Y679-Y682 HydrophobicContact CE1-CE2 4.45Å; Y679-Y682 HydrophobicContact CG-CD2 4.28Å; Y679-Y682 HydrophobicContact CG-CE2 4.2Å; Y679-Y682 PolarHBondContact O-N 2.88Å; Y679-Y682 VanDerWaalsContact O-N 3.15Å; S680-Y682 VanDerWaalsContact C-N 3.35Å; Y682-S688 WeakPolarHBondContact O-CA 3.27Å; Y682-L689 PolarHBondContact O-N 3.34Å; Y682-Y767 AromaticContact CD1-CD1 3.81Å; Y682-Y767 HydrophobicContact CD1-CD1 3.81Å; Y682-Y767 AromaticContact CD1-CE1 3.63Å; Y682-Y767 HydrophobicContact CD1-CE1 3.63Å; Y682-Y767 AromaticContact CD2-CD1 3.63Å; Y682-Y767 HydrophobicContact CD2-CD1 3.63Å; Y682-Y767 HydrophobicContact CD2-CE1 4.26Å; Y682-Y767 AromaticContact CD2-CG 3.91Å; Y682-Y767 HydrophobicContact CD2-CG 3.91Å; Y682-Y767 HydrophobicContact CE1-CD1 4.22Å; Y682-Y767 HydrophobicContact CE1-CE1 4.26Å; Y682-Y767 HydrophobicContact CE2-CD1 4.08Å; Y682-Y767 AromaticContact CG-CD1 3.51Å; Y682-Y767 HydrophobicContact CG-CD1 3.51Å; Y682-Y767 AromaticContact CG-CE1 3.66Å; Y682-Y767 HydrophobicContact CG-CE1 3.66Å; Y682-Y767 HydrophobicContact CG-CG 4.01Å
683	S	96.7	Very high	96.4	Very high	63 Å²	63	51.6 Å²	51.6	44%	0.441	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143	176.8	65.1	0	0	0	0	111.6	T687 Y767	S683-T687 CarbonylContact C-O 3.16Å; S683-T687 VanDerWaalsContact CA-O 3.25Å; S683-T687 WeakPolarHBondContact CA-O 3.35Å; S683-T687 WeakPolarHBondContact CB-O 3.44Å; S683-Y767 PolarHBondContact O-OH 3.31Å
684	I	95.1	Very high	96.4	Very high	43 Å²	43	47.7 Å²	47.7	22%	0.221	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.9	176.2	-164.7	164.5	0	0	0	108.8	N686 T687 L689 V753 V757 V764 Y767	I684-N686 PolarHBondContact O-N 3.39Å; I684-T687 PolarHBondContact N-O 3Å; I684-T687 PolarHBondContact O-N 3.46Å; I684-L689 HydrophobicContact CG2-CD1 4.07Å; I684-V753 HydrophobicContact CD1-CG1 3.8Å; I684-V753 HydrophobicContact CG1-CG1 4.12Å; I684-V753 HydrophobicContact CG2-CG1 3.95Å; I684-V757 HydrophobicContact CG2-CG2 3.45Å; I684-V757 VanDerWaalsContact CG2-CG2 3.45Å; I684-V764 HydrophobicContact CG2-CG2 4.46Å; I684-Y767 HydrophobicContact CB-CE2 4.36Å
685	L	93.5	Very high	96.3	Very high	88 Å²	88	47.3 Å²	47.3	46%	0.461	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	42.8	-174.8	-55.9	174.6	0	0	0	113.1	T687 P750 V753 L754	L685-T687 PolarHBondContact O-N 2.97Å; L685-T687 PolarHBondContact O-OG1 3.13Å; L685-P750 HydrophobicContact CD1-CB 3.87Å; L685-P750 WeakPolarHBondContact CD1-O 3.38Å; L685-P750 HydrophobicContact CD2-CB 4.4Å; L685-V753 HydrophobicContact CD1-CB 3.9Å; L685-V753 HydrophobicContact CD1-CG1 3.96Å; L685-L754 HydrophobicContact CD1-CB 4.45Å
686	N	91.3	Very high	96.3	Very high	171 Å²	171	47.6 Å²	47.6	91%	0.914	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	23	-176.6	-53.7	-35.3	0	0	0	114.9	I684	I684-N686 PolarHBondContact O-N 3.39Å
687	T	92.5	Very high	96.3	Very high	15 Å²	15	47.4 Å²	47.4	9%	0.092	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.5	178.3	-54.2	0	0	0	0	108.9	Y298 S683 I684 L685 L754 V757 L758	Y298-T687 PolarHBondContact OH-OG1 3.11Å; S683-T687 CarbonylContact C-O 3.16Å; S683-T687 VanDerWaalsContact CA-O 3.25Å; S683-T687 WeakPolarHBondContact CA-O 3.35Å; S683-T687 WeakPolarHBondContact CB-O 3.44Å; I684-T687 PolarHBondContact N-O 3Å; I684-T687 PolarHBondContact O-N 3.46Å; L685-T687 PolarHBondContact O-N 2.97Å; L685-T687 PolarHBondContact O-OG1 3.13Å; T687-L754 HydrophobicContact CG2-CD1 4.05Å; T687-L754 WeakPolarHBondContact OG1-CD1 3.27Å; T687-V757 HydrophobicContact CG2-CG1 3.84Å; T687-L758 HydrophobicContact CG2-CD2 3.96Å
688	S	95.3	Very high	96.3	Very high	81 Å²	81	43.7 Å²	43.7	57%	0.566	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	144.4	173.4	-61.6	0	0	0	0	110.7	Y682	Y682-S688 WeakPolarHBondContact O-CA 3.27Å
689	L	96.7	Very high	96.3	Very high	9 Å²	9	42.4 Å²	42.4	5%	0.047	24%	0.235	C	C	.	.			trans	-71.3	150.7	172.1	-82.7	62.4	0	0	0	110	Y679 S680 Y682 I684 G691 V757 T763 V764 Y767	Y679-L689 WeakPolarHBondContact O-CB 3.15Å; S680-L689 WeakPolarHBondContact CA-O 3.45Å; Y682-L689 PolarHBondContact O-N 3.34Å; I684-L689 HydrophobicContact CG2-CD1 4.07Å; L689-G691 PolarHBondContact O-N 3.23Å; L689-V757 HydrophobicContact CD1-CG1 4.49Å; L689-V757 HydrophobicContact CD1-CG2 4.48Å; L689-T763 HydrophobicContact CD2-CG2 3.77Å; L689-V764 HydrophobicContact CD2-CG2 4.33Å; L689-Y767 HydrophobicContact CD1-CD2 4.26Å; L689-Y767 HydrophobicContact CD1-CE2 4.35Å; L689-Y767 HydrophobicContact CD2-CD2 3.78Å; L689-Y767 HydrophobicContact CD2-CG 4.21Å
690	N	95.2	Very high	96.3	Very high	57 Å²	57	42.4 Å²	42.4	31%	0.305	24%	0.235	S	C	.	.			trans	-93.1	90.9	173.9	-175.2	-19.1	0	0	0	109.7	K692 M693 T694	N690-K692 PolarHBondContact O-N 2.92Å; N690-K692 VanDerWaalsContact O-N 3.14Å; N690-K692 PolarHBondContact OD1-N 3.41Å; N690-K692 VanDerWaalsContact OD1-N 3.16Å; N690-M693 HydrophobicContact CB-CB 3.87Å; N690-M693 HydrophobicContact CB-CE 4.25Å; N690-M693 VanDerWaalsContact CG-CB 3.49Å; N690-M693 PolarHBondContact O-N 2.97Å; N690-M693 VanDerWaalsContact O-N 3.17Å; N690-M693 PolarHBondContact OD1-N 2.84Å; N690-T694 PolarHBondContact O-N 3.31Å; N690-T694 PolarHBondContact O-OG1 3.49Å
691	G	96.9	Very high	96.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.5	-177.9	0	0	0	0	0	114.9	S680 L689 L695	S680-G691 WeakPolarHBondContact OG-CA 3.45Å; S680-G691 PolarHBondContact OG-N 3Å; S680-G691 VanDerWaalsContact OG-N 3.09Å; L689-G691 PolarHBondContact O-N 3.23Å; G691-L695 WeakPolarHBondContact O-CB 3.34Å; G691-L695 PolarHBondContact O-N 3.09Å
692	K	95.6	Very high	96.4	Very high	79 Å²	79	34.6 Å²	34.6	34%	0.343	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-45.2	171.9	-175.8	-179	178.6	-174.2	0	111.2	S347 E348 I676 N690 T694 L695	S347-K692 WeakPolarHBondContact O-CD 3.42Å; S347-K692 WeakPolarHBondContact O-CE 3.37Å; E348-K692 IonicContact OE1-NZ 2.77Å; E348-K692 PolarHBondContact OE1-NZ 2.68Å; E348-K692 IonicContact OE2-NZ 3.95Å; E348-K692 PolarHBondContact OE2-NZ 3.16Å; I676-K692 HydrophobicContact CD1-CB 4.4Å; I676-K692 HydrophobicContact CD1-CG 4.44Å; I676-K692 HydrophobicContact CG2-CB 4.29Å; N690-K692 PolarHBondContact O-N 2.92Å; N690-K692 VanDerWaalsContact O-N 3.14Å; N690-K692 PolarHBondContact OD1-N 3.41Å; N690-K692 VanDerWaalsContact OD1-N 3.16Å; K692-T694 VanDerWaalsContact C-N 3.29Å; K692-T694 PolarHBondContact O-N 2.73Å; K692-L695 WeakPolarHBondContact O-CB 3.42Å; K692-L695 PolarHBondContact O-N 3.34Å
693	M	94.2	Very high	96.4	Very high	17 Å²	17	33 Å²	33	8%	0.084	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-39.9	174.8	-176.3	177.5	69.5	0	0	111.6	N690 D760	N690-M693 HydrophobicContact CB-CB 3.87Å; N690-M693 HydrophobicContact CB-CE 4.25Å; N690-M693 VanDerWaalsContact CG-CB 3.49Å; N690-M693 PolarHBondContact O-N 2.97Å; N690-M693 VanDerWaalsContact O-N 3.17Å; N690-M693 PolarHBondContact OD1-N 2.84Å; M693-D760 WeakPolarHBondContact CE-O 3.44Å
694	T	97.4	Very high	96.4	Very high	5 Å²	5	30 Å²	30	3%	0.031	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	3	-176.8	65.7	0	0	0	0	115	N690 K692 G696 E697 N698 V761 T763	N690-T694 PolarHBondContact O-N 3.31Å; N690-T694 PolarHBondContact O-OG1 3.49Å; K692-T694 VanDerWaalsContact C-N 3.29Å; K692-T694 PolarHBondContact O-N 2.73Å; T694-G696 VanDerWaalsContact C-N 3.32Å; T694-G696 PolarHBondContact O-N 2.79Å; T694-E697 PolarHBondContact O-N 2.65Å; T694-N698 VanDerWaalsContact C-ND2 3.34Å; T694-N698 WeakPolarHBondContact O-CB 3.49Å; T694-N698 PolarHBondContact O-N 3.43Å; T694-N698 PolarHBondContact O-ND2 2.99Å; T694-N698 PolarHBondContact O-OD1 3.29Å; T694-N698 PolarHBondContact OG1-ND2 3.05Å; T694-V761 WeakPolarHBondContact CA-O 3.35Å; T694-V761 VanDerWaalsContact CB-O 3.32Å; T694-V761 WeakPolarHBondContact CB-O 3.25Å; T694-V761 WeakPolarHBondContact CG2-O 3.27Å; T694-T763 WeakPolarHBondContact CB-OG1 3.48Å; T694-T763 PolarHBondContact OG1-OG1 2.92Å; T694-T763 VanDerWaalsContact OG1-OG1 3.06Å
695	L	97.4	Very high	96.6	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.068	15%	0.154	C	C	.	.	H	α-helix	trans	-57.9	-38.9	-171.4	174.4	67.8	0	0	0	113.4	Q645 S672 M675 I676 G691 K692 N698 I699	Q645-L695 HydrophobicContact CB-CD2 4.35Å; Q645-L695 VanDerWaalsContact OE1-C 3.26Å; Q645-L695 VanDerWaalsContact OE1-CD2 3.29Å; S672-L695 WeakPolarHBondContact O-CD1 3.41Å; M675-L695 HydrophobicContact CB-CD1 3.8Å; I676-L695 HydrophobicContact CD1-CD2 3.98Å; I676-L695 HydrophobicContact CG1-CB 4.41Å; I676-L695 HydrophobicContact CG1-CD1 3.98Å; I676-L695 HydrophobicContact CG1-CD2 3.9Å; I676-L695 HydrophobicContact CG1-CG 4.32Å; G691-L695 WeakPolarHBondContact O-CB 3.34Å; G691-L695 PolarHBondContact O-N 3.09Å; K692-L695 WeakPolarHBondContact O-CB 3.42Å; K692-L695 PolarHBondContact O-N 3.34Å; L695-N698 PolarHBondContact O-N 2.68Å; L695-I699 HydrophobicContact CD1-CD1 3.77Å; L695-I699 HydrophobicContact CD1-CG1 3.9Å; L695-I699 HydrophobicContact CD2-CD1 4.37Å; L695-I699 HydrophobicContact CG-CD1 3.77Å; L695-I699 HydrophobicContact CG-CG1 4.29Å; L695-I699 WeakPolarHBondContact O-CB 3.44Å; L695-I699 VanDerWaalsContact O-CG1 3.3Å; L695-I699 WeakPolarHBondContact O-CG1 3.39Å; L695-I699 PolarHBondContact O-N 3.24Å
696	G	96.5	Very high	96.8	Very high	7 Å²	7	26 Å²	26	7%	0.072	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-52.1	-177.4	0	0	0	0	0	111.6	T694 N698 I699 A700	T694-G696 VanDerWaalsContact C-N 3.32Å; T694-G696 PolarHBondContact O-N 2.79Å; G696-N698 VanDerWaalsContact C-N 3.32Å; G696-N698 PolarHBondContact O-N 3.42Å; G696-I699 PolarHBondContact O-N 3.09Å; G696-A700 WeakPolarHBondContact O-CB 3.36Å; G696-A700 PolarHBondContact O-N 3.05Å
697	E	98.2	Very high	97.1	Very high	24 Å²	24	18 Å²	18	11%	0.112	10%	0.099	C	C	.	.	H	α-helix	trans	-61.7	-37.4	174.8	-58.5	-55.4	146.2	0	0	112.5	H637 H641 T694 A700 D701 V761 H762	H637-E697 IonicContact CE1-OE2 3.74Å; H637-E697 PolarHBondContact CE1-OE2 3.47Å; H637-E697 VanDerWaalsContact CE1-OE2 3.23Å; H637-E697 IonicContact NE2-OE2 2.68Å; H637-E697 PolarHBondContact NE2-OE2 2.04Å; H641-E697 IonicContact CE1-OE1 2.87Å; H641-E697 PolarHBondContact CE1-OE1 2.84Å; H641-E697 VanDerWaalsContact CE1-OE1 3.26Å; H641-E697 IonicContact CE1-OE2 2.83Å; H641-E697 PolarHBondContact CE1-OE2 3.18Å; H641-E697 IonicContact NE2-OE1 3.66Å; H641-E697 IonicContact NE2-OE2 3.2Å; T694-E697 PolarHBondContact O-N 2.65Å; E697-A700 PolarHBondContact O-N 3.39Å; E697-D701 WeakPolarHBondContact O-CB 3.41Å; E697-D701 PolarHBondContact O-N 3Å; E697-V761 HydrophobicContact CG-CB 4.34Å; E697-V761 HydrophobicContact CG-CG2 4.13Å; E697-V761 WeakPolarHBondContact CG-O 3.26Å; E697-H762 VanDerWaalsContact CD-CD2 3.4Å; E697-H762 HydrophobicContact CG-CB 4.44Å; E697-H762 IonicContact OE1-NE2 3.76Å; E697-H762 IonicContact OE2-CD2 3.17Å; E697-H762 PolarHBondContact OE2-CD2 3.47Å; E697-H762 VanDerWaalsContact OE2-CD2 3.25Å; E697-H762 IonicContact OE2-NE2 3.27Å; E697-H762 PolarHBondContact OE2-NE2 3.01Å
698	N	98.6	Very high	97.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.8	-42	177.4	-61	-27.2	0	0	0	111.5	Y679 T694 L695 G696 A700 N702 T763	Y679-N698 HydrophobicContact CD1-CB 4.48Å; Y679-N698 VanDerWaalsContact CD1-CG 3.49Å; Y679-N698 WeakPolarHBondContact CD1-ND2 3.31Å; Y679-N698 WeakPolarHBondContact CD1-OD1 3.47Å; Y679-N698 HydrophobicContact CD2-CB 4.22Å; Y679-N698 HydrophobicContact CE1-CB 4.15Å; Y679-N698 VanDerWaalsContact CE1-CG 3.44Å; Y679-N698 WeakPolarHBondContact CE1-OD1 3.44Å; Y679-N698 HydrophobicContact CE2-CB 3.87Å; Y679-N698 VanDerWaalsContact CG-ND2 3.3Å; T694-N698 VanDerWaalsContact C-ND2 3.34Å; T694-N698 WeakPolarHBondContact O-CB 3.49Å; T694-N698 PolarHBondContact O-N 3.43Å; T694-N698 PolarHBondContact O-ND2 2.99Å; T694-N698 PolarHBondContact O-OD1 3.29Å; T694-N698 PolarHBondContact OG1-ND2 3.05Å; L695-N698 PolarHBondContact O-N 2.68Å; G696-N698 VanDerWaalsContact C-N 3.32Å; G696-N698 PolarHBondContact O-N 3.42Å; N698-A700 VanDerWaalsContact C-N 3.3Å; N698-N702 WeakPolarHBondContact O-CB 3.26Å; N698-N702 PolarHBondContact O-N 2.95Å; N698-N702 VanDerWaalsContact O-N 3.16Å; N698-N702 PolarHBondContact O-ND2 3.25Å; N698-T763 WeakPolarHBondContact OD1-CB 3.26Å; N698-T763 PolarHBondContact OD1-OG1 3.25Å
699	I	98.7	Very high	97.5	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-60.9	-44.2	173.3	-71.5	170.9	0	0	0	109.5	T640 D644 F668 M675 L695 G696 N702 G703 V799	T640-I699 HydrophobicContact CG2-CG2 4.02Å; T640-I699 WeakPolarHBondContact CG2-O 3.42Å; D644-I699 HydrophobicContact CB-CB 4.42Å; D644-I699 HydrophobicContact CB-CG2 4.25Å; F668-I699 HydrophobicContact CZ-CD1 4.3Å; M675-I699 HydrophobicContact SD-CB 4.48Å; M675-I699 HydrophobicContact SD-CG1 3.73Å; L695-I699 HydrophobicContact CD1-CD1 3.77Å; L695-I699 HydrophobicContact CD1-CG1 3.9Å; L695-I699 HydrophobicContact CD2-CD1 4.37Å; L695-I699 HydrophobicContact CG-CD1 3.77Å; L695-I699 HydrophobicContact CG-CG1 4.29Å; L695-I699 WeakPolarHBondContact O-CB 3.44Å; L695-I699 VanDerWaalsContact O-CG1 3.3Å; L695-I699 WeakPolarHBondContact O-CG1 3.39Å; L695-I699 PolarHBondContact O-N 3.24Å; G696-I699 PolarHBondContact O-N 3.09Å; I699-N702 PolarHBondContact O-N 2.68Å; I699-G703 PolarHBondContact O-N 3.39Å; I699-V799 HydrophobicContact CG1-CG2 4.23Å
700	A	98.7	Very high	97.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.4	-44.1	-179.5	0	0	0	0	0	113.3	H637 T640 G696 E697 N698 N702 G704	H637-A700 WeakPolarHBondContact CE1-CB 3.41Å; H637-A700 VanDerWaalsContact ND1-C 3.29Å; H637-A700 WeakPolarHBondContact ND1-CB 3.49Å; T640-A700 HydrophobicContact CG2-CB 4.48Å; G696-A700 WeakPolarHBondContact O-CB 3.36Å; G696-A700 PolarHBondContact O-N 3.05Å; E697-A700 PolarHBondContact O-N 3.39Å; N698-A700 VanDerWaalsContact C-N 3.3Å; A700-N702 VanDerWaalsContact C-N 3.34Å; A700-N702 PolarHBondContact O-N 3.23Å; A700-G704 WeakPolarHBondContact O-CA 3.35Å; A700-G704 PolarHBondContact O-N 2.91Å
701	D	98.7	Very high	97.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.8	-46.1	173.9	-86.7	-25.3	0	0	0	111.2	M633 H637 E697 L705 R768 T772	M633-D701 HydrophobicContact CE-CB 4.48Å; M633-D701 WeakPolarHBondContact CE-OD1 3.47Å; H637-D701 IonicContact CE1-OD1 2.88Å; H637-D701 PolarHBondContact ND1-N 2.76Å; H637-D701 IonicContact ND1-OD1 2.74Å; H637-D701 PolarHBondContact ND1-OD1 3.25Å; E697-D701 WeakPolarHBondContact O-CB 3.41Å; E697-D701 PolarHBondContact O-N 3Å; D701-L705 WeakPolarHBondContact O-CB 3.28Å; D701-L705 PolarHBondContact O-N 3.11Å; D701-R768 IonicContact OD1-CZ 2.76Å; D701-R768 IonicContact OD1-NE 2.82Å; D701-R768 PolarHBondContact OD1-NE 3.3Å; D701-R768 IonicContact OD1-NH2 2.75Å; D701-R768 PolarHBondContact OD1-NH2 2.85Å; D701-R768 WeakPolarHBondContact OD2-CB 3.44Å; D701-R768 WeakPolarHBondContact OD2-CG 3.31Å; D701-R768 IonicContact OD2-CZ 2.83Å; D701-R768 IonicContact OD2-NE 2.66Å; D701-R768 PolarHBondContact OD2-NE 3.47Å; D701-R768 IonicContact OD2-NH2 2.8Å; D701-T772 HydrophobicContact CB-CG2 4.46Å; D701-T772 WeakPolarHBondContact CB-OG1 3.45Å
702	N	98.7	Very high	97.6	Very high	17 Å²	17	14.7 Å²	14.7	9%	0.091	7%	0.07	C	C	.	.	H	α-helix	trans	-71	-47.5	-175.7	-80.1	-102.3	0	0	0	112.6	M675 Y679 N698 I699 A700 G704 K706 N775	M675-N702 HydrophobicContact CE-CB 3.62Å; Y679-N702 PolarHBondContact OH-ND2 2.73Å; Y679-N702 VanDerWaalsContact OH-ND2 3.13Å; N698-N702 WeakPolarHBondContact O-CB 3.26Å; N698-N702 PolarHBondContact O-N 2.95Å; N698-N702 VanDerWaalsContact O-N 3.16Å; N698-N702 PolarHBondContact O-ND2 3.25Å; I699-N702 PolarHBondContact O-N 2.68Å; A700-N702 VanDerWaalsContact C-N 3.34Å; A700-N702 PolarHBondContact O-N 3.23Å; N702-G704 VanDerWaalsContact C-N 3.35Å; N702-K706 WeakPolarHBondContact O-CB 3.42Å; N702-K706 PolarHBondContact O-N 3.11Å; N702-N775 VanDerWaalsContact OD1-CB 3.25Å; N702-N775 WeakPolarHBondContact OD1-CB 3.44Å; N702-N775 PolarHBondContact OD1-ND2 3.04Å
703	G	97.9	Very high	97.5	Very high	3 Å²	3	14 Å²	14	3%	0.031	7%	0.067	C	C	.	.	H	α-helix	trans	-66.8	-38.4	175	0	0	0	0	0	112	I699 K706 A707	I699-G703 PolarHBondContact O-N 3.39Å; G703-K706 PolarHBondContact O-N 3.22Å; G703-A707 WeakPolarHBondContact O-CB 3.25Å; G703-A707 PolarHBondContact O-N 3.34Å
704	G	98.2	Very high	97.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.2	-50.2	-177.8	0	0	0	0	0	113.5	G636 T640 A700 N702 K706 A707 A708	G636-G704 WeakPolarHBondContact O-CA 3.43Å; T640-G704 PolarHBondContact OG1-N 2.94Å; A700-G704 WeakPolarHBondContact O-CA 3.35Å; A700-G704 PolarHBondContact O-N 2.91Å; N702-G704 VanDerWaalsContact C-N 3.35Å; G704-K706 VanDerWaalsContact C-N 3.29Å; G704-K706 PolarHBondContact O-N 2.77Å; G704-A707 PolarHBondContact O-N 2.85Å; G704-A708 VanDerWaalsContact O-CB 3.28Å; G704-A708 WeakPolarHBondContact O-CB 3.35Å; G704-A708 PolarHBondContact O-N 2.9Å
705	L	98.5	Very high	97.2	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.021	8%	0.078	C	C	.	.	H	α-helix	trans	-59.6	-41.2	176.5	-171.9	68.6	0	0	0	111.6	M633 D701 Y709 F736 F737 F740 T772	M633-L705 HydrophobicContact CB-CD1 4.3Å; M633-L705 HydrophobicContact CG-CB 4.38Å; M633-L705 HydrophobicContact CG-CD1 4.1Å; D701-L705 WeakPolarHBondContact O-CB 3.28Å; D701-L705 PolarHBondContact O-N 3.11Å; L705-Y709 WeakPolarHBondContact O-CB 3.34Å; L705-Y709 PolarHBondContact O-N 2.72Å; L705-F736 HydrophobicContact CD1-CE1 3.51Å; L705-F736 HydrophobicContact CD1-CZ 3.7Å; L705-F736 HydrophobicContact CG-CE1 4.12Å; L705-F736 HydrophobicContact CG-CZ 4.4Å; L705-F737 HydrophobicContact CD2-CD1 4.27Å; L705-F737 HydrophobicContact CD2-CE1 4.09Å; L705-F740 HydrophobicContact CD1-CB 3.85Å; L705-F740 HydrophobicContact CD1-CD1 4.07Å; L705-F740 HydrophobicContact CD1-CD2 3.66Å; L705-F740 HydrophobicContact CD1-CE2 4.2Å; L705-F740 HydrophobicContact CD1-CG 3.56Å; L705-F740 HydrophobicContact CD2-CD1 4.12Å; L705-F740 HydrophobicContact CD2-CE1 4.03Å; L705-F740 HydrophobicContact CD2-CE2 4.5Å; L705-F740 HydrophobicContact CD2-CG 4.41Å; L705-F740 HydrophobicContact CD2-CZ 4.21Å; L705-T772 HydrophobicContact CB-CG2 3.86Å; L705-T772 HydrophobicContact CD2-CG2 3.54Å; L705-T772 HydrophobicContact CG-CG2 4.33Å
706	K	97.9	Very high	96.7	Very high	43 Å²	43	17.1 Å²	17.1	19%	0.187	8%	0.08	C	C	.	.	H	α-helix	trans	-64.9	-45.6	179	-174.8	-171.6	-171.8	-175.7	0	112.3	N508 N702 G703 G704 Y709 K710 W800	N508-K706 VanDerWaalsContact OD1-CE 3.32Å; N508-K706 WeakPolarHBondContact OD1-CE 3.05Å; N508-K706 PolarHBondContact OD1-NZ 2.93Å; N702-K706 WeakPolarHBondContact O-CB 3.42Å; N702-K706 PolarHBondContact O-N 3.11Å; G703-K706 PolarHBondContact O-N 3.22Å; G704-K706 VanDerWaalsContact C-N 3.29Å; G704-K706 PolarHBondContact O-N 2.77Å; K706-Y709 PolarHBondContact O-N 2.91Å; K706-K710 WeakPolarHBondContact O-CG 3.28Å; K706-K710 PolarHBondContact O-N 3.47Å; K706-W800 WeakPolarHBondContact CD-O 3.46Å; K706-W800 PolarHBondContact NZ-O 2.98Å; K706-W800 PolarHBondContact NZ-OXT 3.07Å
707	A	98	Very high	96.2	Very high	3 Å²	3	21.2 Å²	21.2	3%	0.025	11%	0.113	C	C	.	.	H	α-helix	trans	-65.6	-43.8	177.7	0	0	0	0	0	111.6	I501 F505 G703 G704 K710 A711	I501-A707 HydrophobicContact CG2-CB 4.08Å; F505-A707 HydrophobicContact CB-CB 4.18Å; F505-A707 HydrophobicContact CD2-CB 3.91Å; G703-A707 WeakPolarHBondContact O-CB 3.25Å; G703-A707 PolarHBondContact O-N 3.34Å; G704-A707 PolarHBondContact O-N 2.85Å; A707-K710 PolarHBondContact O-N 2.88Å; A707-A711 WeakPolarHBondContact O-CB 3.32Å; A707-A711 PolarHBondContact O-N 3.36Å
708	A	98.3	Very high	95.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-44.3	175.6	0	0	0	0	0	112.3	F628 G632 M633 G704 A711 F712 F736	F628-A708 WeakPolarHBondContact CD1-O 3.06Å; G632-A708 VanDerWaalsContact C-CB 3.48Å; G632-A708 WeakPolarHBondContact O-CB 3.31Å; M633-A708 HydrophobicContact CB-CB 4.44Å; G704-A708 VanDerWaalsContact O-CB 3.28Å; G704-A708 WeakPolarHBondContact O-CB 3.35Å; G704-A708 PolarHBondContact O-N 2.9Å; A708-A711 PolarHBondContact O-N 3.46Å; A708-F712 WeakPolarHBondContact O-CB 3.47Å; A708-F712 PolarHBondContact O-N 3.11Å; A708-F736 HydrophobicContact CB-CE2 4.16Å; A708-F736 HydrophobicContact CB-CZ 4.1Å
709	Y	98.1	Very high	94.6	Very high	23 Å²	23	31.3 Å²	31.3	9%	0.09	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-43.9	177.2	-172.5	-109	0	0	0	111.9	L705 K706 A711 F712 K713 D733 F736 F737 E778	L705-Y709 WeakPolarHBondContact O-CB 3.34Å; L705-Y709 PolarHBondContact O-N 2.72Å; K706-Y709 PolarHBondContact O-N 2.91Å; Y709-A711 PolarHBondContact O-N 3.43Å; Y709-F712 HydrophobicContact CD2-CD1 4.06Å; Y709-F712 HydrophobicContact CE2-CD1 4.13Å; Y709-F712 HydrophobicContact CE2-CE1 4.4Å; Y709-F712 WeakPolarHBondContact O-CB 3.36Å; Y709-F712 PolarHBondContact O-N 2.96Å; Y709-K713 HydrophobicContact CD1-CG 4.23Å; Y709-K713 HydrophobicContact CE1-CD 4.23Å; Y709-K713 HydrophobicContact CE1-CG 3.84Å; Y709-K713 HydrophobicContact CE2-CD 3.98Å; Y709-K713 HydrophobicContact CE2-CG 4.29Å; Y709-K713 WeakPolarHBondContact O-CG 3.43Å; Y709-K713 PolarHBondContact O-N 2.74Å; Y709-D733 PolarHBondContact OH-OD1 3.19Å; Y709-F736 AromaticContact CD2-CD1 3.53Å; Y709-F736 HydrophobicContact CD2-CD1 3.53Å; Y709-F736 HydrophobicContact CD2-CD2 4.22Å; Y709-F736 AromaticContact CD2-CE1 3.63Å; Y709-F736 HydrophobicContact CD2-CE1 3.63Å; Y709-F736 HydrophobicContact CD2-CE2 4.29Å; Y709-F736 AromaticContact CD2-CG 3.87Å; Y709-F736 HydrophobicContact CD2-CG 3.87Å; Y709-F736 HydrophobicContact CD2-CZ 4.03Å; Y709-F736 HydrophobicContact CE2-CD1 4.23Å; Y709-F736 HydrophobicContact CE2-CG 4.46Å; Y709-F736 HydrophobicContact CG-CD1 4.43Å; Y709-F736 HydrophobicContact CG-CE1 4.09Å; Y709-F736 HydrophobicContact CG-CZ 4.3Å; Y709-F737 HydrophobicContact CD2-CE2 4.21Å; Y709-F737 HydrophobicContact CD2-CZ 4.08Å; Y709-F737 AromaticContact CE2-CE2 3.85Å; Y709-F737 HydrophobicContact CE2-CE2 3.85Å; Y709-F737 HydrophobicContact CE2-CZ 4.11Å; Y709-F737 HydrophobicContact CG-CZ 4.39Å; Y709-E778 HydrophobicContact CD1-CB 3.91Å; Y709-E778 HydrophobicContact CD1-CG 3.88Å; Y709-E778 HydrophobicContact CE1-CB 3.52Å; Y709-E778 HydrophobicContact CE1-CG 3.65Å
710	K	97	Very high	92.9	Very high	67 Å²	67	37.3 Å²	37.3	29%	0.291	20%	0.196	S	C	.	.	H	α-helix	trans	-61.2	-44	176.3	-76.1	-177.7	176.5	-170.6	0	112.2	A504 N508 K706 A707 K713 K714	A504-K710 HydrophobicContact CB-CB 4.04Å; N508-K710 PolarHBondContact OD1-NZ 3.13Å; K706-K710 WeakPolarHBondContact O-CG 3.28Å; K706-K710 PolarHBondContact O-N 3.47Å; A707-K710 PolarHBondContact O-N 2.88Å; K710-K713 PolarHBondContact O-N 2.76Å; K710-K714 WeakPolarHBondContact O-CB 3.47Å; K710-K714 PolarHBondContact O-N 3.01Å; K710-K714 VanDerWaalsContact O-N 3.09Å
711	A	97	Very high	91.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-44.8	175.1	0	0	0	0	0	111.6	E500 I501 A504 F628 A707 A708 Y709 K713 K714 L715	E500-A711 HydrophobicContact CB-CB 4.46Å; I501-A711 HydrophobicContact CB-CB 4.44Å; I501-A711 HydrophobicContact CG1-CB 3.72Å; A504-A711 HydrophobicContact CB-CB 3.78Å; F628-A711 HydrophobicContact CD1-CB 4.09Å; F628-A711 HydrophobicContact CE1-CB 3.58Å; A707-A711 WeakPolarHBondContact O-CB 3.32Å; A707-A711 PolarHBondContact O-N 3.36Å; A708-A711 PolarHBondContact O-N 3.46Å; Y709-A711 PolarHBondContact O-N 3.43Å; A711-K713 PolarHBondContact O-N 2.84Å; A711-K714 PolarHBondContact O-N 3.48Å; A711-L715 WeakPolarHBondContact O-CB 3.42Å; A711-L715 PolarHBondContact O-N 3.37Å
712	F	95.7	Very high	89.8	Confident	3 Å²	3	48.3 Å²	48.3	1%	0.013	25%	0.25	C	S	.	.	H	α-helix	trans	-54.4	-52.1	173.7	165.6	-117.4	0	0	0	112	L624 F628 A708 Y709 K714 L715 E716 P732 F736	L624-F712 HydrophobicContact CB-CD2 4.39Å; L624-F712 HydrophobicContact CB-CE2 4.33Å; F628-F712 HydrophobicContact CB-CB 3.72Å; F628-F712 HydrophobicContact CB-CD2 4.47Å; F628-F712 HydrophobicContact CB-CG 4.32Å; F628-F712 HydrophobicContact CD1-CB 4.03Å; F628-F712 HydrophobicContact CD2-CB 4.4Å; F628-F712 HydrophobicContact CG-CB 3.8Å; A708-F712 WeakPolarHBondContact O-CB 3.47Å; A708-F712 PolarHBondContact O-N 3.11Å; Y709-F712 HydrophobicContact CD2-CD1 4.06Å; Y709-F712 HydrophobicContact CE2-CD1 4.13Å; Y709-F712 HydrophobicContact CE2-CE1 4.4Å; Y709-F712 WeakPolarHBondContact O-CB 3.36Å; Y709-F712 PolarHBondContact O-N 2.96Å; F712-K714 VanDerWaalsContact C-N 3.33Å; F712-K714 PolarHBondContact O-N 3.23Å; F712-L715 PolarHBondContact O-N 3.38Å; F712-E716 HydrophobicContact CD2-CB 4.41Å; F712-E716 HydrophobicContact CE2-CB 4Å; F712-E716 HydrophobicContact CE2-CG 4.19Å; F712-E716 HydrophobicContact CZ-CB 4.29Å; F712-E716 HydrophobicContact CZ-CG 4.22Å; F712-E716 WeakPolarHBondContact O-CB 3.4Å; F712-E716 PolarHBondContact O-N 3.39Å; F712-P732 HydrophobicContact CZ-CB 3.82Å; F712-F736 HydrophobicContact CB-CD2 4.32Å; F712-F736 HydrophobicContact CB-CE2 4.42Å; F712-F736 HydrophobicContact CD1-CB 4.45Å; F712-F736 HydrophobicContact CD1-CD2 4.11Å; F712-F736 HydrophobicContact CD1-CG 4.44Å; F712-F736 HydrophobicContact CE1-CB 4.43Å; F712-F736 HydrophobicContact CG-CD2 4.26Å
713	K	94.9	Very high	88.7	Confident	65 Å²	65	50.4 Å²	50.4	28%	0.283	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-37.6	179.9	-62.5	-50.3	-65.7	179.9	0	113	Y709 K710 A711 E716 A717 D733	Y709-K713 HydrophobicContact CD1-CG 4.23Å; Y709-K713 HydrophobicContact CE1-CD 4.23Å; Y709-K713 HydrophobicContact CE1-CG 3.84Å; Y709-K713 HydrophobicContact CE2-CD 3.98Å; Y709-K713 HydrophobicContact CE2-CG 4.29Å; Y709-K713 WeakPolarHBondContact O-CG 3.43Å; Y709-K713 PolarHBondContact O-N 2.74Å; K710-K713 PolarHBondContact O-N 2.76Å; A711-K713 PolarHBondContact O-N 2.84Å; K713-E716 WeakPolarHBondContact CE-OE2 3.37Å; K713-E716 IonicContact NZ-OE2 2.73Å; K713-E716 PolarHBondContact NZ-OE2 3.2Å; K713-A717 WeakPolarHBondContact O-CB 3.44Å; K713-A717 PolarHBondContact O-N 3.35Å; K713-A717 VanDerWaalsContact O-N 3.15Å; K713-D733 WeakPolarHBondContact CD-OD1 3.37Å; K713-D733 WeakPolarHBondContact CE-OD1 3.3Å; K713-D733 IonicContact NZ-OD1 2.65Å; K713-D733 PolarHBondContact NZ-OD1 3.39Å; K713-D733 IonicContact NZ-OD2 2.81Å; K713-D733 PolarHBondContact NZ-OD2 3.16Å
714	K	92.9	Very high	88	Confident	68 Å²	68	53.2 Å²	53.2	30%	0.296	28%	0.279	S	S	.	.	H	α-helix	trans	-65	-40.6	176.7	-171.3	-178.3	-168.2	173	0	111.9	E507 K710 A711 F712	E507-K714 IonicContact OE1-NZ 2.78Å; E507-K714 PolarHBondContact OE1-NZ 3.09Å; E507-K714 IonicContact OE2-NZ 3.12Å; E507-K714 PolarHBondContact OE2-NZ 3.2Å; K710-K714 WeakPolarHBondContact O-CB 3.47Å; K710-K714 PolarHBondContact O-N 3.01Å; K710-K714 VanDerWaalsContact O-N 3.09Å; A711-K714 PolarHBondContact O-N 3.48Å; F712-K714 VanDerWaalsContact C-N 3.33Å; F712-K714 PolarHBondContact O-N 3.23Å
715	L	90.7	Very high	87.6	Confident	10 Å²	10	53.4 Å²	53.4	5%	0.052	28%	0.28	C	S	.	.	H	α-helix	trans	-76.2	-42.1	179.2	-161.6	69.4	0	0	0	111.6	E500 L624 F628 A711 F712 A717 K718 Y719	E500-L715 HydrophobicContact CG-CD1 4.33Å; L624-L715 HydrophobicContact CD1-CD2 4.16Å; L624-L715 HydrophobicContact CD1-CG 4.49Å; L624-L715 HydrophobicContact CD2-CD2 4.26Å; F628-L715 HydrophobicContact CE2-CD2 3.54Å; F628-L715 HydrophobicContact CZ-CD2 3.69Å; A711-L715 WeakPolarHBondContact O-CB 3.42Å; A711-L715 PolarHBondContact O-N 3.37Å; F712-L715 PolarHBondContact O-N 3.38Å; L715-A717 PolarHBondContact O-N 2.67Å; L715-K718 HydrophobicContact CD1-CD 4.29Å; L715-K718 WeakPolarHBondContact O-CB 3.35Å; L715-K718 PolarHBondContact O-N 3.27Å; L715-Y719 HydrophobicContact CD1-CD2 4.36Å; L715-Y719 HydrophobicContact CD1-CE2 3.69Å; L715-Y719 HydrophobicContact CD2-CE2 4.26Å; L715-Y719 HydrophobicContact CG-CD2 3.95Å; L715-Y719 HydrophobicContact CG-CE2 3.67Å; L715-Y719 WeakPolarHBondContact O-CD2 3.41Å; L715-Y719 PolarHBondContact O-N 3.13Å
716	E	88.6	Confident	87.2	Confident	22 Å²	22	54.4 Å²	54.4	10%	0.103	29%	0.287	C	S	.	.	H	α-helix	trans	-59.2	-33.9	176.6	-168.5	-164.9	-159.8	0	0	112.2	F712 K713 K718 Y719 K722 P732	F712-E716 HydrophobicContact CD2-CB 4.41Å; F712-E716 HydrophobicContact CE2-CB 4Å; F712-E716 HydrophobicContact CE2-CG 4.19Å; F712-E716 HydrophobicContact CZ-CB 4.29Å; F712-E716 HydrophobicContact CZ-CG 4.22Å; F712-E716 WeakPolarHBondContact O-CB 3.4Å; F712-E716 PolarHBondContact O-N 3.39Å; K713-E716 WeakPolarHBondContact CE-OE2 3.37Å; K713-E716 IonicContact NZ-OE2 2.73Å; K713-E716 PolarHBondContact NZ-OE2 3.2Å; E716-K718 PolarHBondContact O-N 3.12Å; E716-Y719 PolarHBondContact O-N 3.17Å; E716-K722 HydrophobicContact CG-CD 4.44Å; E716-K722 VanDerWaalsContact CG-NZ 3.27Å; E716-K722 WeakPolarHBondContact OE1-CE 3.3Å; E716-K722 IonicContact OE1-NZ 2.68Å; E716-K722 PolarHBondContact OE1-NZ 3.41Å; E716-P732 WeakPolarHBondContact OE1-CB 3.45Å
717	A	86.1	Confident	86.8	Confident	93 Å²	93	55.9 Å²	55.9	77%	0.769	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-19	174.4	0	0	0	0	0	114	K713 L715	K713-A717 WeakPolarHBondContact O-CB 3.44Å; K713-A717 PolarHBondContact O-N 3.35Å; K713-A717 VanDerWaalsContact O-N 3.15Å; L715-A717 PolarHBondContact O-N 2.67Å
718	K	84.5	Confident	86.4	Confident	119 Å²	119	56.5 Å²	56.5	52%	0.517	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-29.4	176.7	-58.4	174.6	-169.4	169.5	0	112.7	E500 L715 E716	E500-K718 IonicContact OE1-NZ 2.67Å; E500-K718 PolarHBondContact OE1-NZ 2.76Å; E500-K718 IonicContact OE2-NZ 2.71Å; L715-K718 HydrophobicContact CD1-CD 4.29Å; L715-K718 WeakPolarHBondContact O-CB 3.35Å; L715-K718 PolarHBondContact O-N 3.27Å; E716-K718 PolarHBondContact O-N 3.12Å
719	Y	76.9	Confident	86	Confident	116 Å²	116	64.3 Å²	64.3	46%	0.455	36%	0.358	S	S	.	.			trans	-102.4	117.8	-174.2	-68.6	-71.9	0	0	0	112.6	L624 L715 E716	L624-Y719 HydrophobicContact CD1-CD2 3.97Å; L715-Y719 HydrophobicContact CD1-CD2 4.36Å; L715-Y719 HydrophobicContact CD1-CE2 3.69Å; L715-Y719 HydrophobicContact CD2-CE2 4.26Å; L715-Y719 HydrophobicContact CG-CD2 3.95Å; L715-Y719 HydrophobicContact CG-CE2 3.67Å; L715-Y719 WeakPolarHBondContact O-CD2 3.41Å; L715-Y719 PolarHBondContact O-N 3.13Å; E716-Y719 PolarHBondContact O-N 3.17Å
720	S	63.6	Low	85.7	Confident	127 Å²	127	65.4 Å²	65.4	89%	0.888	36%	0.364	S	S	*	.			trans	-84.4	-19.8	-178.4	47.1	0	0	0	0	114.7
721	D	61.9	Low	85.5	Confident	142 Å²	142	65.3 Å²	65.3	76%	0.759	37%	0.369	S	S	*	.			trans	-101.2	127.9	177.6	-159.2	-7.8	0	0	0	110.1
722	K	71.1	Confident	85.3	Confident	89 Å²	89	67.3 Å²	67.3	39%	0.387	38%	0.381	S	S	.	.			trans	-135.4	115.1	-171.3	-64	-174.6	-173.2	-178.5	0	109.3	E716 I724 P732	E716-K722 HydrophobicContact CG-CD 4.44Å; E716-K722 VanDerWaalsContact CG-NZ 3.27Å; E716-K722 WeakPolarHBondContact OE1-CE 3.3Å; E716-K722 IonicContact OE1-NZ 2.68Å; E716-K722 PolarHBondContact OE1-NZ 3.41Å; K722-I724 PolarHBondContact O-N 3.23Å; K722-P732 HydrophobicContact CD-CG 4.37Å
723	P	74.9	Confident	85.2	Confident	61 Å²	61	68.6 Å²	68.6	40%	0.396	39%	0.389	S	S	.	.			trans	-63	104.6	176	-20.5	31.9	0	0	0	110.8	C109 P623 L725	C109-P723 HydrophobicContact CB-CB 3.93Å; P623-P723 HydrophobicContact CG-CB 4.36Å; P723-L725 PolarHBondContact O-N 2.66Å
724	I	83.2	Confident	85.3	Confident	62 Å²	62	67.3 Å²	67.3	32%	0.318	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-75.2	120.8	173.3	-65.2	168.5	0	0	0	107.7	N106 P108 C109 K722	N106-I724 HydrophobicContact CB-CD1 4.44Å; P108-I724 CarbonylContact C-O 3.2Å; P108-I724 WeakPolarHBondContact CA-O 3.48Å; C109-I724 PolarHBondContact N-O 2.8Å; K722-I724 PolarHBondContact O-N 3.23Å
725	L	89.2	Confident	85.5	Confident	5 Å²	5	64.5 Å²	64.5	3%	0.026	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-71.1	131.1	-179.1	-70.2	-179.2	0	0	0	111.3	C114 V117 A118 I121 P623 L626 P723 L728 L735	C114-L725 HydrophobicContact CB-CD2 3.99Å; V117-L725 HydrophobicContact CG1-CD1 4.13Å; V117-L725 HydrophobicContact CG1-CD2 4.49Å; A118-L725 HydrophobicContact CB-CB 4.02Å; I121-L725 HydrophobicContact CD1-CD1 3.99Å; P623-L725 HydrophobicContact CG-CD1 4.13Å; P623-L725 HydrophobicContact CG-CD2 3.82Å; P623-L725 HydrophobicContact CG-CG 3.82Å; L626-L725 HydrophobicContact CD1-CD1 3.96Å; P723-L725 PolarHBondContact O-N 2.66Å; L725-L728 HydrophobicContact CB-CB 4.22Å; L725-L728 HydrophobicContact CB-CD1 3.91Å; L725-L728 HydrophobicContact CB-CG 4.5Å; L725-L728 HydrophobicContact CD1-CD1 3.84Å; L725-L728 PolarHBondContact O-N 3.08Å; L725-L735 HydrophobicContact CD1-CD1 4.03Å; L725-L735 HydrophobicContact CD1-CD2 4.25Å; L725-L735 HydrophobicContact CG-CD1 4.48Å
726	P	90.8	Very high	85.8	Confident	25 Å²	25	64 Å²	64	16%	0.162	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	135.4	-176.5	26.2	-33	0	0	0	111.2	P108 C109 L110 I115 A118 L728	P108-P726 HydrophobicContact CB-CB 4.09Å; C109-P726 VanDerWaalsContact O-CD 3.31Å; C109-P726 WeakPolarHBondContact O-CD 3.48Å; L110-P726 HydrophobicContact CD2-CB 4.15Å; I115-P726 HydrophobicContact CG1-CG 3.95Å; A118-P726 HydrophobicContact CB-CG 4.14Å; A118-P726 VanDerWaalsContact CB-O 3.27Å; A118-P726 WeakPolarHBondContact CB-O 3.39Å; P726-L728 PolarHBondContact O-N 3.06Å
727	G	89.8	Confident	86.3	Confident	73 Å²	73	63 Å²	63	75%	0.753	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	-1.7	178.8	0	0	0	0	0	115.5
728	L	89.7	Confident	86.9	Confident	17 Å²	17	58.6 Å²	58.6	9%	0.089	33%	0.328	C	S	.	.			trans	-106.3	121.5	176.3	-74.7	177.7	0	0	0	111	A118 I121 L122 L725 P726 F730 L735	A118-L728 HydrophobicContact CB-CD1 4.04Å; A118-L728 HydrophobicContact CB-CG 4.37Å; I121-L728 HydrophobicContact CB-CD1 4.12Å; I121-L728 HydrophobicContact CD1-CD1 4.22Å; I121-L728 HydrophobicContact CG2-CD1 3.91Å; I121-L728 HydrophobicContact CG2-CD2 4.27Å; L122-L728 HydrophobicContact CD1-CD2 4.24Å; L122-L728 HydrophobicContact CD2-CD2 3.51Å; L122-L728 HydrophobicContact CG-CD2 3.53Å; L122-L728 HydrophobicContact CG-CG 4.24Å; L725-L728 HydrophobicContact CB-CB 4.22Å; L725-L728 HydrophobicContact CB-CD1 3.91Å; L725-L728 HydrophobicContact CB-CG 4.5Å; L725-L728 HydrophobicContact CD1-CD1 3.84Å; L725-L728 PolarHBondContact O-N 3.08Å; P726-L728 PolarHBondContact O-N 3.06Å; L728-F730 VanDerWaalsContact C-N 3.32Å; L728-F730 HydrophobicContact CB-CD2 4.36Å; L728-F730 HydrophobicContact CD2-CD2 3.72Å; L728-F730 HydrophobicContact CD2-CE2 3.7Å; L728-F730 HydrophobicContact CG-CD2 4.48Å; L728-F730 PolarHBondContact O-N 2.87Å; L728-L735 HydrophobicContact CD1-CD2 4.09Å
729	N	88.6	Confident	87.4	Confident	163 Å²	163	53.4 Å²	53.4	87%	0.872	31%	0.308	S	S	*	.			trans	-98	50.2	172.9	-167.3	43.2	0	0	0	111.1
730	F	92.3	Very high	88.5	Confident	47 Å²	47	47.9 Å²	47.9	21%	0.206	29%	0.286	C	S	.	.			trans	-111.4	142.7	177.2	-67.7	-49.6	0	0	0	110.9	M125 Y138 L728 Q734 L735 I738	M125-F730 HydrophobicContact CE-CE2 3.81Å; M125-F730 HydrophobicContact CE-CZ 3.56Å; M125-F730 HydrophobicContact SD-CE2 3.77Å; M125-F730 HydrophobicContact SD-CZ 4.12Å; Y138-F730 WeakPolarHBondContact OH-CE1 3.01Å; Y138-F730 WeakPolarHBondContact OH-CZ 3.28Å; L728-F730 VanDerWaalsContact C-N 3.32Å; L728-F730 HydrophobicContact CB-CD2 4.36Å; L728-F730 HydrophobicContact CD2-CD2 3.72Å; L728-F730 HydrophobicContact CD2-CE2 3.7Å; L728-F730 HydrophobicContact CG-CD2 4.48Å; L728-F730 PolarHBondContact O-N 2.87Å; F730-Q734 HydrophobicContact CB-CB 4.01Å; F730-Q734 HydrophobicContact CD1-CB 4.19Å; F730-Q734 HydrophobicContact CG-CB 4.36Å; F730-L735 HydrophobicContact CB-CD2 3.91Å; F730-L735 HydrophobicContact CB-CG 3.89Å; F730-L735 HydrophobicContact CD2-CD2 4.06Å; F730-L735 HydrophobicContact CG-CD2 4.43Å; F730-I738 HydrophobicContact CD1-CD1 4.15Å; F730-I738 HydrophobicContact CD2-CD1 3.72Å; F730-I738 HydrophobicContact CE1-CD1 4.13Å; F730-I738 HydrophobicContact CE2-CD1 3.71Å; F730-I738 HydrophobicContact CG-CD1 3.98Å; F730-I738 HydrophobicContact CZ-CD1 3.94Å
731	T	92.4	Very high	90.1	Very high	65 Å²	65	41.8 Å²	41.8	40%	0.399	24%	0.244	S	C	.	.			trans	-69	158.8	169.1	67.6	0	0	0	0	110.5	D733 Q734 L735	T731-D733 PolarHBondContact O-N 3.03Å; T731-D733 PolarHBondContact OG1-N 2.78Å; T731-Q734 PolarHBondContact O-N 2.75Å; T731-Q734 VanDerWaalsContact O-N 3.07Å; T731-Q734 WeakPolarHBondContact OG1-CG 3.46Å; T731-Q734 PolarHBondContact OG1-N 3.14Å; T731-Q734 VanDerWaalsContact OG1-N 3.11Å; T731-L735 WeakPolarHBondContact O-CG 2.99Å; T731-L735 PolarHBondContact O-N 3.21Å
732	P	92.6	Very high	91.8	Very high	41 Å²	41	35.8 Å²	35.8	27%	0.266	21%	0.212	S	C	.	.	H	α-helix	trans	-52.5	-36.4	170.1	-28.4	37	0	0	0	112.7	S625 F712 E716 K722 L735 F736	S625-P732 WeakPolarHBondContact CB-O 3.47Å; F712-P732 HydrophobicContact CZ-CB 3.82Å; E716-P732 WeakPolarHBondContact OE1-CB 3.45Å; K722-P732 HydrophobicContact CD-CG 4.37Å; P732-L735 PolarHBondContact O-N 3.05Å; P732-F736 PolarHBondContact O-N 2.75Å
733	D	95.6	Very high	93	Very high	31 Å²	31	31.8 Å²	31.8	17%	0.166	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-44.2	175.2	-65.8	-53.8	0	0	0	113.1	Y709 K713 T731 F736 F737 V782	Y709-D733 PolarHBondContact OH-OD1 3.19Å; K713-D733 WeakPolarHBondContact CD-OD1 3.37Å; K713-D733 WeakPolarHBondContact CE-OD1 3.3Å; K713-D733 IonicContact NZ-OD1 2.65Å; K713-D733 PolarHBondContact NZ-OD1 3.39Å; K713-D733 IonicContact NZ-OD2 2.81Å; K713-D733 PolarHBondContact NZ-OD2 3.16Å; T731-D733 PolarHBondContact O-N 3.03Å; T731-D733 PolarHBondContact OG1-N 2.78Å; D733-F736 WeakPolarHBondContact O-CB 3.46Å; D733-F736 PolarHBondContact O-N 3.26Å; D733-F737 VanDerWaalsContact O-CD2 3.24Å; D733-F737 WeakPolarHBondContact O-CD2 3.33Å; D733-V782 HydrophobicContact CB-CB 4.44Å; D733-V782 HydrophobicContact CB-CG1 3.76Å; D733-V782 HydrophobicContact CB-CG2 3.72Å
734	Q	96.9	Very high	94.1	Very high	37 Å²	37	30.1 Å²	30.1	17%	0.173	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-40.9	175.7	-72.2	171.6	-42.3	0	0	111.2	F730 T731 F736 F737 I738 V782 F783	F730-Q734 HydrophobicContact CB-CB 4.01Å; F730-Q734 HydrophobicContact CD1-CB 4.19Å; F730-Q734 HydrophobicContact CG-CB 4.36Å; T731-Q734 PolarHBondContact O-N 2.75Å; T731-Q734 VanDerWaalsContact O-N 3.07Å; T731-Q734 WeakPolarHBondContact OG1-CG 3.46Å; T731-Q734 PolarHBondContact OG1-N 3.14Å; T731-Q734 VanDerWaalsContact OG1-N 3.11Å; Q734-F736 VanDerWaalsContact C-N 3.3Å; Q734-F736 PolarHBondContact O-N 3.15Å; Q734-F737 PolarHBondContact O-N 3.31Å; Q734-I738 WeakPolarHBondContact O-CD1 3.49Å; Q734-I738 VanDerWaalsContact O-CG1 3.28Å; Q734-I738 WeakPolarHBondContact O-CG1 3.44Å; Q734-I738 PolarHBondContact O-N 3.36Å; Q734-V782 HydrophobicContact CB-CG1 4.31Å; Q734-V782 HydrophobicContact CG-CG1 3.55Å; Q734-F783 HydrophobicContact CB-CE1 4.24Å; Q734-F783 HydrophobicContact CB-CE2 4.47Å; Q734-F783 HydrophobicContact CB-CZ 3.82Å; Q734-F783 HydrophobicContact CG-CD1 4.47Å; Q734-F783 HydrophobicContact CG-CE1 3.94Å; Q734-F783 HydrophobicContact CG-CE2 4.25Å; Q734-F783 HydrophobicContact CG-CZ 3.82Å
735	L	96.1	Very high	94.8	Very high	9 Å²	9	27.1 Å²	27.1	5%	0.047	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-35.6	176.1	-70.5	175	0	0	0	112.5	I121 L626 L725 L728 F730 T731 P732 I738 G739	I121-L735 HydrophobicContact CD1-CD2 4.33Å; L626-L735 HydrophobicContact CD2-CB 4.28Å; L626-L735 VanDerWaalsContact CD2-O 3.31Å; L626-L735 WeakPolarHBondContact CD2-O 3.31Å; L725-L735 HydrophobicContact CD1-CD1 4.03Å; L725-L735 HydrophobicContact CD1-CD2 4.25Å; L725-L735 HydrophobicContact CG-CD1 4.48Å; L728-L735 HydrophobicContact CD1-CD2 4.09Å; F730-L735 HydrophobicContact CB-CD2 3.91Å; F730-L735 HydrophobicContact CB-CG 3.89Å; F730-L735 HydrophobicContact CD2-CD2 4.06Å; F730-L735 HydrophobicContact CG-CD2 4.43Å; T731-L735 WeakPolarHBondContact O-CG 2.99Å; T731-L735 PolarHBondContact O-N 3.21Å; P732-L735 PolarHBondContact O-N 3.05Å; L735-I738 PolarHBondContact O-N 2.92Å; L735-G739 PolarHBondContact O-N 3.44Å
736	F	97.4	Very high	95.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.8	-52.2	175.2	170.9	-83.6	0	0	0	111.5	S625 F628 G629 L705 A708 Y709 F712 P732 D733 Q734 G739 F740	S625-F736 WeakPolarHBondContact O-CA 3.32Å; F628-F736 VanDerWaalsContact C-CE2 3.44Å; F628-F736 HydrophobicContact CB-CD2 4.04Å; F628-F736 HydrophobicContact CB-CE2 3.93Å; F628-F736 WeakPolarHBondContact O-CE2 3.26Å; G629-F736 VanDerWaalsContact N-CD2 3.33Å; L705-F736 HydrophobicContact CD1-CE1 3.51Å; L705-F736 HydrophobicContact CD1-CZ 3.7Å; L705-F736 HydrophobicContact CG-CE1 4.12Å; L705-F736 HydrophobicContact CG-CZ 4.4Å; A708-F736 HydrophobicContact CB-CE2 4.16Å; A708-F736 HydrophobicContact CB-CZ 4.1Å; Y709-F736 AromaticContact CD2-CD1 3.53Å; Y709-F736 HydrophobicContact CD2-CD1 3.53Å; Y709-F736 HydrophobicContact CD2-CD2 4.22Å; Y709-F736 AromaticContact CD2-CE1 3.63Å; Y709-F736 HydrophobicContact CD2-CE1 3.63Å; Y709-F736 HydrophobicContact CD2-CE2 4.29Å; Y709-F736 AromaticContact CD2-CG 3.87Å; Y709-F736 HydrophobicContact CD2-CG 3.87Å; Y709-F736 HydrophobicContact CD2-CZ 4.03Å; Y709-F736 HydrophobicContact CE2-CD1 4.23Å; Y709-F736 HydrophobicContact CE2-CG 4.46Å; Y709-F736 HydrophobicContact CG-CD1 4.43Å; Y709-F736 HydrophobicContact CG-CE1 4.09Å; Y709-F736 HydrophobicContact CG-CZ 4.3Å; F712-F736 HydrophobicContact CB-CD2 4.32Å; F712-F736 HydrophobicContact CB-CE2 4.42Å; F712-F736 HydrophobicContact CD1-CB 4.45Å; F712-F736 HydrophobicContact CD1-CD2 4.11Å; F712-F736 HydrophobicContact CD1-CG 4.44Å; F712-F736 HydrophobicContact CE1-CB 4.43Å; F712-F736 HydrophobicContact CG-CD2 4.26Å; P732-F736 PolarHBondContact O-N 2.75Å; D733-F736 WeakPolarHBondContact O-CB 3.46Å; D733-F736 PolarHBondContact O-N 3.26Å; Q734-F736 VanDerWaalsContact C-N 3.3Å; Q734-F736 PolarHBondContact O-N 3.15Å; F736-G739 PolarHBondContact O-N 3.09Å; F736-F740 PolarHBondContact O-N 3.2Å
737	F	98.6	Very high	95.5	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-69.8	-37.5	-179	-68.3	-71.8	0	0	0	112.5	F135 L705 Y709 D733 Q734 F740 A741 E778 F779 V782 F783	F135-F737 HydrophobicContact CE1-CB 3.99Å; F135-F737 WeakPolarHBondContact CE1-O 3.5Å; F135-F737 HydrophobicContact CZ-CB 3.86Å; L705-F737 HydrophobicContact CD2-CD1 4.27Å; L705-F737 HydrophobicContact CD2-CE1 4.09Å; Y709-F737 HydrophobicContact CD2-CE2 4.21Å; Y709-F737 HydrophobicContact CD2-CZ 4.08Å; Y709-F737 AromaticContact CE2-CE2 3.85Å; Y709-F737 HydrophobicContact CE2-CE2 3.85Å; Y709-F737 HydrophobicContact CE2-CZ 4.11Å; Y709-F737 HydrophobicContact CG-CZ 4.39Å; D733-F737 VanDerWaalsContact O-CD2 3.24Å; D733-F737 WeakPolarHBondContact O-CD2 3.33Å; Q734-F737 PolarHBondContact O-N 3.31Å; F737-F740 PolarHBondContact O-N 3.39Å; F737-A741 WeakPolarHBondContact O-CB 3.44Å; F737-A741 PolarHBondContact O-N 3.38Å; F737-E778 HydrophobicContact CZ-CB 4.23Å; F737-F779 HydrophobicContact CB-CD2 4.13Å; F737-F779 HydrophobicContact CD1-CB 4.17Å; F737-F779 AromaticContact CD1-CD2 3.88Å; F737-F779 HydrophobicContact CD1-CD2 3.88Å; F737-F779 HydrophobicContact CD2-CD2 4.27Å; F737-F779 HydrophobicContact CE1-CB 3.81Å; F737-F779 HydrophobicContact CE1-CD2 4.39Å; F737-F779 HydrophobicContact CE2-CB 4.39Å; F737-F779 AromaticContact CG-CD2 3.83Å; F737-F779 HydrophobicContact CG-CD2 3.83Å; F737-F779 HydrophobicContact CZ-CB 3.94Å; F737-V782 HydrophobicContact CD2-CB 4.41Å; F737-V782 HydrophobicContact CD2-CG1 4.1Å; F737-V782 HydrophobicContact CE2-CB 4.18Å; F737-V782 HydrophobicContact CE2-CG1 4.3Å; F737-V782 HydrophobicContact CE2-CG2 4.13Å; F737-F783 HydrophobicContact CB-CE2 3.91Å; F737-F783 HydrophobicContact CD2-CE2 4.16Å; F737-F783 HydrophobicContact CG-CE2 4.35Å
738	I	98.1	Very high	95.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-43.2	174.6	-67.5	164.2	0	0	0	110.3	I121 M125 F135 Y138 F730 Q734 L735 A741 Q742 F783	I121-I738 HydrophobicContact CG2-CG2 3.94Å; M125-I738 HydrophobicContact CE-CD1 3.8Å; M125-I738 HydrophobicContact CE-CG1 4.24Å; M125-I738 HydrophobicContact CE-CG2 4.49Å; M125-I738 HydrophobicContact SD-CD1 4.32Å; M125-I738 HydrophobicContact SD-CG2 4.09Å; F135-I738 HydrophobicContact CE2-CG1 4.46Å; F135-I738 HydrophobicContact CZ-CG1 3.98Å; Y138-I738 HydrophobicContact CE1-CG1 4.49Å; F730-I738 HydrophobicContact CD1-CD1 4.15Å; F730-I738 HydrophobicContact CD2-CD1 3.72Å; F730-I738 HydrophobicContact CE1-CD1 4.13Å; F730-I738 HydrophobicContact CE2-CD1 3.71Å; F730-I738 HydrophobicContact CG-CD1 3.98Å; F730-I738 HydrophobicContact CZ-CD1 3.94Å; Q734-I738 WeakPolarHBondContact O-CD1 3.49Å; Q734-I738 VanDerWaalsContact O-CG1 3.28Å; Q734-I738 WeakPolarHBondContact O-CG1 3.44Å; Q734-I738 PolarHBondContact O-N 3.36Å; L735-I738 PolarHBondContact O-N 2.92Å; I738-A741 PolarHBondContact O-N 3.23Å; I738-Q742 HydrophobicContact CG2-CG 4.27Å; I738-Q742 WeakPolarHBondContact O-CB 3.35Å; I738-Q742 VanDerWaalsContact O-CG 3.32Å; I738-Q742 WeakPolarHBondContact O-CG 3.39Å; I738-Q742 PolarHBondContact O-N 2.84Å; I738-F783 HydrophobicContact CD1-CZ 4.38Å; I738-F783 HydrophobicContact CG1-CZ 4.23Å
739	G	96.6	Very high	96.1	Very high	10 Å²	10	29.4 Å²	29.4	10%	0.103	16%	0.157	C	C	.	.	H	α-helix	trans	-59.3	-47.8	175.9	0	0	0	0	0	112.3	L735 F736 Q742 L743	L735-G739 PolarHBondContact O-N 3.44Å; F736-G739 PolarHBondContact O-N 3.09Å; G739-Q742 PolarHBondContact O-N 3.32Å; G739-L743 PolarHBondContact O-N 3.4Å
740	F	98.2	Very high	96.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-54.4	-54.3	172	156.1	-104.8	0	0	0	112.1	G629 M633 L705 F736 F737 Q742 L743 W744 V769 T772 I773	G629-F740 WeakPolarHBondContact O-CA 3.44Å; G629-F740 WeakPolarHBondContact O-CB 3.37Å; M633-F740 HydrophobicContact CB-CD2 4.49Å; M633-F740 HydrophobicContact CE-CD2 4.5Å; M633-F740 HydrophobicContact CE-CE2 4.05Å; M633-F740 HydrophobicContact CG-CD2 3.79Å; M633-F740 HydrophobicContact CG-CE2 4.15Å; M633-F740 HydrophobicContact SD-CD2 4.15Å; M633-F740 HydrophobicContact SD-CE2 4.3Å; L705-F740 HydrophobicContact CD1-CB 3.85Å; L705-F740 HydrophobicContact CD1-CD1 4.07Å; L705-F740 HydrophobicContact CD1-CD2 3.66Å; L705-F740 HydrophobicContact CD1-CE2 4.2Å; L705-F740 HydrophobicContact CD1-CG 3.56Å; L705-F740 HydrophobicContact CD2-CD1 4.12Å; L705-F740 HydrophobicContact CD2-CE1 4.03Å; L705-F740 HydrophobicContact CD2-CE2 4.5Å; L705-F740 HydrophobicContact CD2-CG 4.41Å; L705-F740 HydrophobicContact CD2-CZ 4.21Å; F736-F740 PolarHBondContact O-N 3.2Å; F737-F740 PolarHBondContact O-N 3.39Å; F740-Q742 VanDerWaalsContact C-N 3.28Å; F740-Q742 PolarHBondContact O-N 3.05Å; F740-L743 WeakPolarHBondContact O-CB 3.49Å; F740-L743 PolarHBondContact O-N 2.83Å; F740-W744 AromaticContact CD2-NE1 3.8Å; F740-W744 AromaticContact CE2-CD1 3.87Å; F740-W744 AromaticContact CE2-NE1 3.46Å; F740-V769 HydrophobicContact CE1-CB 4.4Å; F740-V769 HydrophobicContact CE1-CG1 4.16Å; F740-V769 HydrophobicContact CE1-CG2 4.35Å; F740-V769 HydrophobicContact CZ-CG2 4.43Å; F740-T772 HydrophobicContact CZ-CG2 4.07Å; F740-I773 HydrophobicContact CD1-CG2 4.34Å; F740-I773 HydrophobicContact CE1-CG2 3.78Å
741	A	98.6	Very high	96.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-34.1	-176.5	0	0	0	0	0	112.3	F135 S139 C140 F737 I738 L743 W744 V769	F135-A741 HydrophobicContact CD1-CB 3.83Å; F135-A741 HydrophobicContact CE1-CB 3.6Å; S139-A741 WeakPolarHBondContact OG-CB 3.44Å; C140-A741 PolarHBondContact SG-O 2.81Å; F737-A741 WeakPolarHBondContact O-CB 3.44Å; F737-A741 PolarHBondContact O-N 3.38Å; I738-A741 PolarHBondContact O-N 3.23Å; A741-L743 VanDerWaalsContact C-N 3.34Å; A741-L743 PolarHBondContact O-N 3.43Å; A741-W744 PolarHBondContact O-N 2.91Å; A741-V769 HydrophobicContact CB-CG1 3.77Å; A741-V769 HydrophobicContact CB-CG2 4.19Å
742	Q	97.6	Very high	96.6	Very high	16 Å²	16	22.7 Å²	22.7	8%	0.075	12%	0.123	C	C	.	.	H	α-helix	trans	-72.5	-21.9	-179.5	-74.4	-171.8	11.9	0	0	114.5	I121 N124 S139 V158 I738 G739 F740 W744 C745	I121-Q742 PolarHBondContact O-NE2 2.81Å; N124-Q742 HydrophobicContact CB-CG 4.27Å; N124-Q742 PolarHBondContact ND2-OE1 2.93Å; S139-Q742 WeakPolarHBondContact O-CG 3.31Å; S139-Q742 PolarHBondContact O-NE2 3.44Å; V158-Q742 WeakPolarHBondContact CG2-O 3.45Å; I738-Q742 HydrophobicContact CG2-CG 4.27Å; I738-Q742 WeakPolarHBondContact O-CB 3.35Å; I738-Q742 VanDerWaalsContact O-CG 3.32Å; I738-Q742 WeakPolarHBondContact O-CG 3.39Å; I738-Q742 PolarHBondContact O-N 2.84Å; G739-Q742 PolarHBondContact O-N 3.32Å; F740-Q742 VanDerWaalsContact C-N 3.28Å; F740-Q742 PolarHBondContact O-N 3.05Å; Q742-W744 PolarHBondContact O-N 3.35Å; Q742-C745 VanDerWaalsContact CA-SG 3.56Å; Q742-C745 PolarHBondContact O-N 3.26Å; Q742-C745 PolarHBondContact O-SG 2.84Å; Q742-C745 VanDerWaalsContact O-SG 3.41Å
743	L	95.9	Very high	96.8	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-59.1	-30.6	169.5	-70	-164.8	0	0	0	112.6	M159 P616 L617 G739 F740 A741	M159-L743 HydrophobicContact CE-CB 3.91Å; M159-L743 HydrophobicContact CE-CD1 4.02Å; M159-L743 HydrophobicContact CE-CD2 4.45Å; M159-L743 HydrophobicContact CE-CG 4.35Å; P616-L743 HydrophobicContact CB-CD2 4.43Å; P616-L743 HydrophobicContact CG-CD2 3.88Å; L617-L743 HydrophobicContact CD2-CD1 4.12Å; L617-L743 HydrophobicContact CG-CD1 4.13Å; L617-L743 HydrophobicContact CG-CD2 3.88Å; G739-L743 PolarHBondContact O-N 3.4Å; F740-L743 WeakPolarHBondContact O-CB 3.49Å; F740-L743 PolarHBondContact O-N 2.83Å; A741-L743 VanDerWaalsContact C-N 3.34Å; A741-L743 PolarHBondContact O-N 3.43Å
744	W	97.5	Very high	96.7	Very high	26 Å²	26	21.8 Å²	21.8	10%	0.098	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	3.7	-174.1	-59.2	114.9	0	0	0	113.5	F136 M633 F740 A741 Q742 I746 E765 V769	F136-W744 WeakPolarHBondContact CE2-O 3.36Å; M633-W744 HydrophobicContact CE-CZ2 3.92Å; M633-W744 HydrophobicContact SD-CZ2 4.22Å; F740-W744 AromaticContact CD2-NE1 3.8Å; F740-W744 AromaticContact CE2-CD1 3.87Å; F740-W744 AromaticContact CE2-NE1 3.46Å; A741-W744 PolarHBondContact O-N 2.91Å; Q742-W744 PolarHBondContact O-N 3.35Å; W744-I746 PolarHBondContact O-N 3.14Å; W744-I746 VanDerWaalsContact O-N 3.15Å; W744-E765 HydrophobicContact CB-CB 4.14Å; W744-E765 HydrophobicContact CE3-CG 4.02Å; W744-E765 WeakPolarHBondContact O-CB 3.38Å; W744-V769 HydrophobicContact CB-CG2 3.62Å; W744-V769 HydrophobicContact CG-CG2 3.92Å
745	C	98.6	Very high	96.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.			trans	-60.7	121.2	175.8	-60.1	0	0	0	0	111	C140 W143 S157 V158 Q742	C140-C745 WeakPolarHBondContact CA-SG 3.46Å; C140-C745 HydrophobicContact CB-CB 3.75Å; C140-C745 WeakPolarHBondContact CB-SG 3.32Å; C140-C745 WeakPolarHBondContact SG-CA 3.47Å; C140-C745 WeakPolarHBondContact SG-CB 3.5Å; C140-C745 CovalentContact SG-SG 2.04Å; C140-C745 PolarHBondContact SG-SG 3.26Å; W143-C745 HydrophobicContact CB-CB 4.12Å; W143-C745 HydrophobicContact CD2-CB 3.81Å; W143-C745 HydrophobicContact CE3-CB 3.99Å; W143-C745 HydrophobicContact CG-CB 3.85Å; S157-C745 VanDerWaalsContact CA-O 3.26Å; S157-C745 WeakPolarHBondContact CA-O 3.34Å; S157-C745 WeakPolarHBondContact CB-O 3.4Å; V158-C745 HydrophobicContact CG2-CB 4.06Å; V158-C745 PolarHBondContact N-O 3.14Å; V158-C745 VanDerWaalsContact N-O 3.1Å; Q742-C745 VanDerWaalsContact CA-SG 3.56Å; Q742-C745 PolarHBondContact O-N 3.26Å; Q742-C745 PolarHBondContact O-SG 2.84Å; Q742-C745 VanDerWaalsContact O-SG 3.41Å
746	I	98	Very high	96.4	Very high	17 Å²	17	22.3 Å²	22.3	9%	0.087	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.5	-176.1	-171.5	163.2	0	0	0	112.2	F136 I144 W156 W744 S748 E765	F136-I746 HydrophobicContact CZ-CG2 4.45Å; I144-I746 WeakPolarHBondContact CG1-O 3.39Å; W156-I746 CarbonylContact O-C 3.57Å; W156-I746 WeakPolarHBondContact O-CA 3.39Å; W156-I746 WeakPolarHBondContact O-CG1 3.48Å; W744-I746 PolarHBondContact O-N 3.14Å; W744-I746 VanDerWaalsContact O-N 3.15Å; I746-S748 VanDerWaalsContact CD1-OG 3.29Å; I746-S748 WeakPolarHBondContact CD1-OG 3.46Å; I746-S748 WeakPolarHBondContact CG1-OG 3.45Å; I746-E765 HydrophobicContact CB-CG 4.46Å; I746-E765 VanDerWaalsContact CD1-CD 3.41Å; I746-E765 HydrophobicContact CD1-CG 4.34Å; I746-E765 WeakPolarHBondContact CD1-OE1 3.49Å; I746-E765 HydrophobicContact CG2-CB 3.71Å; I746-E765 HydrophobicContact CG2-CG 4.05Å
747	K	97.2	Very high	96.3	Very high	71 Å²	71	22.8 Å²	22.8	31%	0.309	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	122.1	167.5	-168.5	173.3	-168.9	159.9	0	108.4	W143 I144 N147 I149 S155 W156	W143-K747 HydrophobicContact CZ3-CB 4.22Å; I144-K747 HydrophobicContact CG2-CD 4.36Å; I144-K747 HydrophobicContact CG2-CG 4.42Å; I144-K747 PolarHBondContact O-NZ 2.91Å; N147-K747 WeakPolarHBondContact O-CD 3.33Å; N147-K747 WeakPolarHBondContact O-CE 3.33Å; N147-K747 PolarHBondContact O-NZ 2.91Å; I149-K747 HydrophobicContact CD1-CG 4.3Å; I149-K747 WeakPolarHBondContact CD1-O 3.47Å; I149-K747 HydrophobicContact CG1-CB 4.31Å; I149-K747 HydrophobicContact CG1-CD 4.45Å; I149-K747 HydrophobicContact CG1-CG 4.05Å; I149-K747 WeakPolarHBondContact CG1-O 3.48Å; S155-K747 CarbonylContact C-O 3.55Å; S155-K747 WeakPolarHBondContact CA-O 3.41Å; W156-K747 PolarHBondContact N-O 3.1Å; W156-K747 PolarHBondContact O-N 3.04Å
748	S	96.4	Very high	95.9	Very high	32 Å²	32	24.2 Å²	24.2	22%	0.224	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.4	-172.5	-67.4	0	0	0	0	112.3	S155 I746	S155-S748 WeakPolarHBondContact CB-OG 3.22Å; I746-S748 VanDerWaalsContact CD1-OG 3.29Å; I746-S748 WeakPolarHBondContact CD1-OG 3.46Å; I746-S748 WeakPolarHBondContact CG1-OG 3.45Å
749	L	95.8	Very high	95.5	Very high	48 Å²	48	25 Å²	25	25%	0.251	14%	0.136	S	C	.	.			trans	-67.3	145.4	169.8	-62.7	-179.8	0	0	0	110	I149 N154 G454 Q751 S752 V753	I149-L749 HydrophobicContact CD1-CD2 3.9Å; I149-L749 HydrophobicContact CD1-CG 4.02Å; N154-L749 HydrophobicContact CB-CD1 4.43Å; N154-L749 WeakPolarHBondContact O-CG 3.49Å; N154-L749 PolarHBondContact O-N 3.22Å; G454-L749 WeakPolarHBondContact O-CD1 3.1Å; L749-Q751 VanDerWaalsContact C-N 3.27Å; L749-Q751 PolarHBondContact O-N 2.94Å; L749-S752 WeakPolarHBondContact O-CA 3.45Å; L749-S752 VanDerWaalsContact O-CB 3.31Å; L749-S752 WeakPolarHBondContact O-CB 3.39Å; L749-S752 PolarHBondContact O-N 3.21Å; L749-V753 PolarHBondContact O-N 3.01Å
750	P	94.8	Very high	95.4	Very high	72 Å²	72	27.3 Å²	27.3	47%	0.468	15%	0.146	S	C	.	.	H	α-helix	trans	-56.2	-39	-178	-27.1	35.4	0	0	0	113.7	L685 S752 V753 L754	L685-P750 HydrophobicContact CD1-CB 3.87Å; L685-P750 WeakPolarHBondContact CD1-O 3.38Å; L685-P750 HydrophobicContact CD2-CB 4.4Å; P750-S752 VanDerWaalsContact C-N 3.33Å; P750-S752 PolarHBondContact O-N 2.83Å; P750-V753 PolarHBondContact O-N 3.29Å; P750-L754 WeakPolarHBondContact O-CB 3.43Å; P750-L754 PolarHBondContact O-N 2.92Å
751	Q	93.7	Very high	95.2	Very high	54 Å²	54	30.4 Å²	30.4	25%	0.252	17%	0.165	S	C	.	.	H	α-helix	trans	-61.7	-39.9	174.2	-66.4	92.4	-47.5	0	0	112.1	L453 L749 L754 N755	L453-Q751 VanDerWaalsContact C-CB 3.48Å; L749-Q751 VanDerWaalsContact C-N 3.27Å; L749-Q751 PolarHBondContact O-N 2.94Å; Q751-L754 PolarHBondContact O-N 3.34Å; Q751-N755 WeakPolarHBondContact O-CB 3.3Å; Q751-N755 PolarHBondContact O-N 2.97Å
752	S	94.7	Very high	95.1	Very high	7 Å²	7	33.5 Å²	33.5	5%	0.049	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-44.6	176.7	-162.7	0	0	0	0	111.8	N154 L749 P750 L754 N755 T756	N154-S752 PolarHBondContact ND2-OG 3.43Å; L749-S752 WeakPolarHBondContact O-CA 3.45Å; L749-S752 VanDerWaalsContact O-CB 3.31Å; L749-S752 WeakPolarHBondContact O-CB 3.39Å; L749-S752 PolarHBondContact O-N 3.21Å; P750-S752 VanDerWaalsContact C-N 3.33Å; P750-S752 PolarHBondContact O-N 2.83Å; S752-L754 VanDerWaalsContact C-N 3.34Å; S752-L754 PolarHBondContact O-N 3.06Å; S752-N755 WeakPolarHBondContact O-CB 3.46Å; S752-N755 PolarHBondContact O-N 3.19Å; S752-N755 VanDerWaalsContact O-N 3.15Å; S752-T756 PolarHBondContact O-N 3.02Å; S752-T756 PolarHBondContact O-OG1 3.3Å
753	V	96.4	Very high	95.2	Very high	24 Å²	24	33 Å²	33	15%	0.145	18%	0.177	C	C	.	.	H	α-helix	trans	-58.6	-48.3	175.4	175.6	0	0	0	0	110.2	I684 L685 L749 P750 N755 T756 V757	I684-V753 HydrophobicContact CD1-CG1 3.8Å; I684-V753 HydrophobicContact CG1-CG1 4.12Å; I684-V753 HydrophobicContact CG2-CG1 3.95Å; L685-V753 HydrophobicContact CD1-CB 3.9Å; L685-V753 HydrophobicContact CD1-CG1 3.96Å; L749-V753 PolarHBondContact O-N 3.01Å; P750-V753 PolarHBondContact O-N 3.29Å; V753-N755 VanDerWaalsContact C-N 3.25Å; V753-N755 PolarHBondContact O-N 3.26Å; V753-T756 PolarHBondContact O-N 3.27Å; V753-V757 HydrophobicContact CG1-CG2 4.4Å; V753-V757 VanDerWaalsContact O-CG2 3.29Å; V753-V757 WeakPolarHBondContact O-CG2 3.42Å; V753-V757 PolarHBondContact O-N 3.42Å
754	L	93.8	Very high	95.2	Very high	29 Å²	29	33 Å²	33	15%	0.152	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-30.8	178	-171.6	61.1	0	0	0	112.3	A300 L685 T687 P750 Q751 S752 L758	A300-L754 HydrophobicContact CB-CD2 3.63Å; L685-L754 HydrophobicContact CD1-CB 4.45Å; T687-L754 HydrophobicContact CG2-CD1 4.05Å; T687-L754 WeakPolarHBondContact OG1-CD1 3.27Å; P750-L754 WeakPolarHBondContact O-CB 3.43Å; P750-L754 PolarHBondContact O-N 2.92Å; Q751-L754 PolarHBondContact O-N 3.34Å; S752-L754 VanDerWaalsContact C-N 3.34Å; S752-L754 PolarHBondContact O-N 3.06Å; L754-L758 HydrophobicContact CD1-CD1 3.74Å; L754-L758 HydrophobicContact CD1-CG 4.22Å; L754-L758 HydrophobicContact CG-CD1 3.79Å; L754-L758 WeakPolarHBondContact O-CB 3.47Å; L754-L758 WeakPolarHBondContact O-CD1 3.25Å; L754-L758 WeakPolarHBondContact O-CG 3.11Å; L754-L758 PolarHBondContact O-N 3.11Å
755	N	92.4	Very high	95.2	Very high	28 Å²	28	33.9 Å²	33.9	15%	0.15	18%	0.183	C	C	.	.	H	α-helix	trans	-66.7	-45.1	173.5	-157.4	80	0	0	0	111.7	Y292 K304 L453 Q751 S752 V753 L758 F759	Y292-N755 PolarHBondContact OH-OD1 3.31Å; K304-N755 PolarHBondContact NZ-OD1 3.09Å; L453-N755 HydrophobicContact CD2-CB 4.2Å; Q751-N755 WeakPolarHBondContact O-CB 3.3Å; Q751-N755 PolarHBondContact O-N 2.97Å; S752-N755 WeakPolarHBondContact O-CB 3.46Å; S752-N755 PolarHBondContact O-N 3.19Å; S752-N755 VanDerWaalsContact O-N 3.15Å; V753-N755 VanDerWaalsContact C-N 3.25Å; V753-N755 PolarHBondContact O-N 3.26Å; N755-L758 PolarHBondContact O-N 3.13Å; N755-F759 WeakPolarHBondContact O-CD2 3.41Å; N755-F759 PolarHBondContact O-N 3.32Å; N755-F759 VanDerWaalsContact O-N 3.14Å
756	T	94.1	Very high	95.2	Very high	30 Å²	30	35.1 Å²	35.1	18%	0.184	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-50.5	175.5	-56.5	0	0	0	0	111.1	S752 V753 L758 F759 D760 V764	S752-T756 PolarHBondContact O-N 3.02Å; S752-T756 PolarHBondContact O-OG1 3.3Å; V753-T756 PolarHBondContact O-N 3.27Å; T756-L758 PolarHBondContact O-N 3.33Å; T756-F759 PolarHBondContact O-N 2.88Å; T756-D760 HydrophobicContact CG2-CB 3.63Å; T756-D760 VanDerWaalsContact O-CB 3.3Å; T756-D760 WeakPolarHBondContact O-CB 3.47Å; T756-D760 PolarHBondContact O-N 3.1Å; T756-V764 HydrophobicContact CG2-CG1 3.68Å
757	V	94.5	Very high	95.2	Very high	10 Å²	10	36.6 Å²	36.6	6%	0.061	20%	0.195	C	C	.	.	H	α-helix	trans	-54.6	-30.6	-179.8	171.6	0	0	0	0	113.5	I684 T687 L689 V753 V764	I684-V757 HydrophobicContact CG2-CG2 3.45Å; I684-V757 VanDerWaalsContact CG2-CG2 3.45Å; T687-V757 HydrophobicContact CG2-CG1 3.84Å; L689-V757 HydrophobicContact CD1-CG1 4.49Å; L689-V757 HydrophobicContact CD1-CG2 4.48Å; V753-V757 HydrophobicContact CG1-CG2 4.4Å; V753-V757 VanDerWaalsContact O-CG2 3.29Å; V753-V757 WeakPolarHBondContact O-CG2 3.42Å; V753-V757 PolarHBondContact O-N 3.42Å; V757-V764 HydrophobicContact CG2-CG1 3.67Å
758	L	90.6	Very high	95.3	Very high	31 Å²	31	34 Å²	34	16%	0.162	18%	0.184	C	C	.	.	H	α-helix	trans	-100	-19	-172.8	-62.9	174.3	0	0	0	114	Y298 Y301 T687 L754 N755 T756	Y298-L758 HydrophobicContact CE1-CD1 4.12Å; Y301-L758 HydrophobicContact CE1-CD1 3.55Å; T687-L758 HydrophobicContact CG2-CD2 3.96Å; L754-L758 HydrophobicContact CD1-CD1 3.74Å; L754-L758 HydrophobicContact CD1-CG 4.22Å; L754-L758 HydrophobicContact CG-CD1 3.79Å; L754-L758 WeakPolarHBondContact O-CB 3.47Å; L754-L758 WeakPolarHBondContact O-CD1 3.25Å; L754-L758 WeakPolarHBondContact O-CG 3.11Å; L754-L758 PolarHBondContact O-N 3.11Å; N755-L758 PolarHBondContact O-N 3.13Å; T756-L758 PolarHBondContact O-N 3.33Å
759	F	90.4	Very high	95.4	Very high	17 Å²	17	32.4 Å²	32.4	8%	0.075	17%	0.173	C	C	.	.	H	α-helix	trans	-134.6	-18.5	-171.3	-54.4	-52.9	0	0	0	116.4	Q289 E291 Y292 Y301 N755 T756	Q289-F759 HydrophobicContact CB-CD1 4.15Å; Q289-F759 HydrophobicContact CB-CE1 3.98Å; Q289-F759 HydrophobicContact CB-CZ 4.25Å; Q289-F759 HydrophobicContact CG-CD1 4.09Å; Q289-F759 HydrophobicContact CG-CD2 4.15Å; Q289-F759 HydrophobicContact CG-CE1 4.25Å; Q289-F759 HydrophobicContact CG-CE2 4.27Å; Q289-F759 HydrophobicContact CG-CG 4.09Å; Q289-F759 HydrophobicContact CG-CZ 4.34Å; E291-F759 HydrophobicContact CB-CE1 3.82Å; E291-F759 HydrophobicContact CG-CE1 4.01Å; Y292-F759 HydrophobicContact CD1-CE2 4.32Å; Y292-F759 AromaticContact CD1-CZ 3.73Å; Y292-F759 HydrophobicContact CD1-CZ 3.73Å; Y292-F759 HydrophobicContact CE1-CE1 4.32Å; Y292-F759 AromaticContact CE1-CE2 3.34Å; Y292-F759 HydrophobicContact CE1-CE2 3.34Å; Y292-F759 AromaticContact CE1-CZ 3.18Å; Y292-F759 HydrophobicContact CE1-CZ 3.18Å; Y292-F759 AromaticContact CZ-CE2 3.64Å; Y292-F759 AromaticContact CZ-CZ 3.89Å; Y292-F759 WeakPolarHBondContact OH-CE2 3.37Å; Y301-F759 AromaticContact CE1-CZ 3.71Å; Y301-F759 HydrophobicContact CE1-CZ 3.71Å; N755-F759 WeakPolarHBondContact O-CD2 3.41Å; N755-F759 PolarHBondContact O-N 3.32Å; N755-F759 VanDerWaalsContact O-N 3.14Å; T756-F759 PolarHBondContact O-N 2.88Å
760	D	93.4	Very high	95.5	Very high	57 Å²	57	31 Å²	31	31%	0.305	17%	0.165	S	C	.	.			trans	-86.5	140	-179.7	-153.8	-34	0	0	0	110.1	M693 T756 H762	M693-D760 WeakPolarHBondContact CE-O 3.44Å; T756-D760 HydrophobicContact CG2-CB 3.63Å; T756-D760 VanDerWaalsContact O-CB 3.3Å; T756-D760 WeakPolarHBondContact O-CB 3.47Å; T756-D760 PolarHBondContact O-N 3.1Å; D760-H762 IonicContact OD1-CE1 2.73Å; D760-H762 IonicContact OD1-CG 3.88Å; D760-H762 PolarHBondContact OD1-N 2.97Å; D760-H762 IonicContact OD1-ND1 3.63Å; D760-H762 PolarHBondContact OD1-ND1 2.85Å; D760-H762 IonicContact OD2-ND1 3.79Å
761	V	95.2	Very high	95.7	Very high	66 Å²	66	27.5 Å²	27.5	40%	0.4	14%	0.143	S	C	.	.	S	Bend	trans	-73.7	-18.6	171.1	-65.4	0	0	0	0	111.1	T694 E697	T694-V761 WeakPolarHBondContact CA-O 3.35Å; T694-V761 VanDerWaalsContact CB-O 3.32Å; T694-V761 WeakPolarHBondContact CB-O 3.25Å; T694-V761 WeakPolarHBondContact CG2-O 3.27Å; E697-V761 HydrophobicContact CG-CB 4.34Å; E697-V761 HydrophobicContact CG-CG2 4.13Å; E697-V761 WeakPolarHBondContact CG-O 3.26Å
762	H	97.1	Very high	96	Very high	65 Å²	65	25.1 Å²	25.1	30%	0.301	13%	0.132	S	C	.	.	S	Bend	trans	-79.4	136.1	171.1	-53	92.7	0	0	0	111.2	E697 D760 R768	E697-H762 VanDerWaalsContact CD-CD2 3.4Å; E697-H762 HydrophobicContact CG-CB 4.44Å; E697-H762 IonicContact OE1-NE2 3.76Å; E697-H762 IonicContact OE2-CD2 3.17Å; E697-H762 PolarHBondContact OE2-CD2 3.47Å; E697-H762 VanDerWaalsContact OE2-CD2 3.25Å; E697-H762 IonicContact OE2-NE2 3.27Å; E697-H762 PolarHBondContact OE2-NE2 3.01Å; D760-H762 IonicContact OD1-CE1 2.73Å; D760-H762 IonicContact OD1-CG 3.88Å; D760-H762 PolarHBondContact OD1-N 2.97Å; D760-H762 IonicContact OD1-ND1 3.63Å; D760-H762 PolarHBondContact OD1-ND1 2.85Å; D760-H762 IonicContact OD2-ND1 3.79Å; H762-R768 PolarHBondContact CD2-NH1 2.7Å
763	T	97.9	Very high	96.1	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.025	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-59.9	144.6	161.2	-75	0	0	0	0	109.8	Y679 L689 T694 N698 R768	Y679-T763 HydrophobicContact CD1-CG2 3.88Å; Y679-T763 WeakPolarHBondContact CD1-OG1 3.39Å; Y679-T763 HydrophobicContact CE1-CG2 3.9Å; L689-T763 HydrophobicContact CD2-CG2 3.77Å; T694-T763 WeakPolarHBondContact CB-OG1 3.48Å; T694-T763 PolarHBondContact OG1-OG1 2.92Å; T694-T763 VanDerWaalsContact OG1-OG1 3.06Å; N698-T763 WeakPolarHBondContact OD1-CB 3.26Å; N698-T763 PolarHBondContact OD1-OG1 3.25Å; T763-R768 HydrophobicContact CG2-CG 4.28Å; T763-R768 WeakPolarHBondContact O-CD 3.43Å; T763-R768 WeakPolarHBondContact O-CG 3.39Å
764	V	97.6	Very high	96.2	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.024	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-59.5	144	174.6	-66.8	0	0	0	0	111.7	I684 L689 T756 V757 P766 Y767 R768	I684-V764 HydrophobicContact CG2-CG2 4.46Å; L689-V764 HydrophobicContact CD2-CG2 4.33Å; T756-V764 HydrophobicContact CG2-CG1 3.68Å; V757-V764 HydrophobicContact CG2-CG1 3.67Å; V764-P766 VanDerWaalsContact C-CD 3.42Å; V764-P766 VanDerWaalsContact O-N 3.13Å; V764-Y767 HydrophobicContact CG2-CD2 3.75Å; V764-Y767 WeakPolarHBondContact O-CA 3.35Å; V764-Y767 PolarHBondContact O-N 3.26Å; V764-R768 PolarHBondContact O-N 2.9Å; V764-R768 VanDerWaalsContact O-N 3.13Å
765	E	97.7	Very high	96.4	Very high	46 Å²	46	22.7 Å²	22.7	22%	0.215	12%	0.118	C	C	.	.	H	α-helix	trans	-52.9	-39.6	-164.4	-61.7	85.7	165.6	0	0	115.7	W744 I746 Y767 R768 V769	W744-E765 HydrophobicContact CB-CB 4.14Å; W744-E765 HydrophobicContact CE3-CG 4.02Å; W744-E765 WeakPolarHBondContact O-CB 3.38Å; I746-E765 HydrophobicContact CB-CG 4.46Å; I746-E765 VanDerWaalsContact CD1-CD 3.41Å; I746-E765 HydrophobicContact CD1-CG 4.34Å; I746-E765 WeakPolarHBondContact CD1-OE1 3.49Å; I746-E765 HydrophobicContact CG2-CB 3.71Å; I746-E765 HydrophobicContact CG2-CG 4.05Å; E765-Y767 PolarHBondContact O-N 2.88Å; E765-R768 PolarHBondContact O-N 3.31Å; E765-V769 PolarHBondContact O-N 3.26Å; E765-V769 VanDerWaalsContact O-N 3.16Å
766	P	97.9	Very high	96.7	Very high	26 Å²	26	22.1 Å²	22.1	17%	0.169	12%	0.116	C	C	.	.	H	α-helix	trans	-57.9	-36.7	174.6	-23.6	34	0	0	0	113.2	F136 V764 I770	F136-P766 HydrophobicContact CD1-CB 3.84Å; F136-P766 HydrophobicContact CD1-CG 4.17Å; F136-P766 HydrophobicContact CD2-CB 4.26Å; F136-P766 HydrophobicContact CE1-CB 3.98Å; F136-P766 HydrophobicContact CE1-CG 3.77Å; F136-P766 HydrophobicContact CE2-CB 4.37Å; F136-P766 HydrophobicContact CE2-CG 4.25Å; F136-P766 HydrophobicContact CG-CB 3.99Å; F136-P766 HydrophobicContact CZ-CB 4.24Å; F136-P766 HydrophobicContact CZ-CG 3.81Å; V764-P766 VanDerWaalsContact C-CD 3.42Å; V764-P766 VanDerWaalsContact O-N 3.13Å; P766-I770 WeakPolarHBondContact O-CB 3.31Å; P766-I770 WeakPolarHBondContact O-CD1 3.29Å; P766-I770 VanDerWaalsContact O-CG1 3.26Å; P766-I770 WeakPolarHBondContact O-CG1 3.37Å; P766-I770 PolarHBondContact O-N 3.49Å
767	Y	98.4	Very high	96.9	Very high	47 Å²	47	26.9 Å²	26.9	18%	0.184	14%	0.136	C	C	.	.	H	α-helix	trans	-88.2	-16.9	179.4	-66.4	-59.3	0	0	0	113.5	Y682 S683 I684 L689 V764 E765 V769 I770 G771	Y682-Y767 AromaticContact CD1-CD1 3.81Å; Y682-Y767 HydrophobicContact CD1-CD1 3.81Å; Y682-Y767 AromaticContact CD1-CE1 3.63Å; Y682-Y767 HydrophobicContact CD1-CE1 3.63Å; Y682-Y767 AromaticContact CD2-CD1 3.63Å; Y682-Y767 HydrophobicContact CD2-CD1 3.63Å; Y682-Y767 HydrophobicContact CD2-CE1 4.26Å; Y682-Y767 AromaticContact CD2-CG 3.91Å; Y682-Y767 HydrophobicContact CD2-CG 3.91Å; Y682-Y767 HydrophobicContact CE1-CD1 4.22Å; Y682-Y767 HydrophobicContact CE1-CE1 4.26Å; Y682-Y767 HydrophobicContact CE2-CD1 4.08Å; Y682-Y767 AromaticContact CG-CD1 3.51Å; Y682-Y767 HydrophobicContact CG-CD1 3.51Å; Y682-Y767 AromaticContact CG-CE1 3.66Å; Y682-Y767 HydrophobicContact CG-CE1 3.66Å; Y682-Y767 HydrophobicContact CG-CG 4.01Å; S683-Y767 PolarHBondContact O-OH 3.31Å; I684-Y767 HydrophobicContact CB-CE2 4.36Å; L689-Y767 HydrophobicContact CD1-CD2 4.26Å; L689-Y767 HydrophobicContact CD1-CE2 4.35Å; L689-Y767 HydrophobicContact CD2-CD2 3.78Å; L689-Y767 HydrophobicContact CD2-CG 4.21Å; V764-Y767 HydrophobicContact CG2-CD2 3.75Å; V764-Y767 WeakPolarHBondContact O-CA 3.35Å; V764-Y767 PolarHBondContact O-N 3.26Å; E765-Y767 PolarHBondContact O-N 2.88Å; Y767-V769 VanDerWaalsContact C-N 3.31Å; Y767-I770 HydrophobicContact CD1-CB 4.25Å; Y767-I770 HydrophobicContact CD1-CD1 4.37Å; Y767-I770 HydrophobicContact CD1-CG2 4.35Å; Y767-I770 HydrophobicContact CE1-CD1 4.37Å; Y767-G771 WeakPolarHBondContact O-CA 3.42Å; Y767-G771 PolarHBondContact O-N 3.47Å
768	R	98.6	Very high	97	Very high	16 Å²	16	29 Å²	29	6%	0.06	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-40.5	161.4	-63.5	-169.2	73.3	162.7	0.1	110.7	H637 D701 H762 T763 V764 E765 T772	H637-R768 PolarHBondContact CE1-NH2 3.07Å; D701-R768 IonicContact OD1-CZ 2.76Å; D701-R768 IonicContact OD1-NE 2.82Å; D701-R768 PolarHBondContact OD1-NE 3.3Å; D701-R768 IonicContact OD1-NH2 2.75Å; D701-R768 PolarHBondContact OD1-NH2 2.85Å; D701-R768 WeakPolarHBondContact OD2-CB 3.44Å; D701-R768 WeakPolarHBondContact OD2-CG 3.31Å; D701-R768 IonicContact OD2-CZ 2.83Å; D701-R768 IonicContact OD2-NE 2.66Å; D701-R768 PolarHBondContact OD2-NE 3.47Å; D701-R768 IonicContact OD2-NH2 2.8Å; H762-R768 PolarHBondContact CD2-NH1 2.7Å; T763-R768 HydrophobicContact CG2-CG 4.28Å; T763-R768 WeakPolarHBondContact O-CD 3.43Å; T763-R768 WeakPolarHBondContact O-CG 3.39Å; V764-R768 PolarHBondContact O-N 2.9Å; V764-R768 VanDerWaalsContact O-N 3.13Å; E765-R768 PolarHBondContact O-N 3.31Å; R768-T772 WeakPolarHBondContact O-CB 3.29Å; R768-T772 PolarHBondContact O-OG1 3.48Å
769	V	98.7	Very high	97.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.2	-60.3	172.5	177.6	0	0	0	0	111.1	F135 F136 F740 A741 W744 E765 Y767 G771 T772 I773	F135-V769 HydrophobicContact CD1-CG1 4.07Å; F136-V769 HydrophobicContact CB-CB 4.28Å; F136-V769 HydrophobicContact CB-CG1 4.18Å; F136-V769 HydrophobicContact CD2-CB 4.15Å; F136-V769 HydrophobicContact CD2-CG2 3.94Å; F740-V769 HydrophobicContact CE1-CB 4.4Å; F740-V769 HydrophobicContact CE1-CG1 4.16Å; F740-V769 HydrophobicContact CE1-CG2 4.35Å; F740-V769 HydrophobicContact CZ-CG2 4.43Å; A741-V769 HydrophobicContact CB-CG1 3.77Å; A741-V769 HydrophobicContact CB-CG2 4.19Å; W744-V769 HydrophobicContact CB-CG2 3.62Å; W744-V769 HydrophobicContact CG-CG2 3.92Å; E765-V769 PolarHBondContact O-N 3.26Å; E765-V769 VanDerWaalsContact O-N 3.16Å; Y767-V769 VanDerWaalsContact C-N 3.31Å; V769-G771 PolarHBondContact O-N 2.7Å; V769-T772 PolarHBondContact O-N 3.04Å; V769-I773 HydrophobicContact CG1-CD1 4.26Å; V769-I773 WeakPolarHBondContact O-CG1 3.47Å; V769-I773 PolarHBondContact O-N 3.2Å; V769-I773 VanDerWaalsContact O-N 3.09Å
770	I	98.7	Very high	97.8	Very high	17 Å²	17	27.1 Å²	27.1	9%	0.087	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-46.3	-171.4	-70.1	165.3	0	0	0	112.4	F136 P766 Y767 T772 T774 M791	F136-I770 HydrophobicContact CB-CD1 4.26Å; F136-I770 HydrophobicContact CB-CG1 4.24Å; P766-I770 WeakPolarHBondContact O-CB 3.31Å; P766-I770 WeakPolarHBondContact O-CD1 3.29Å; P766-I770 VanDerWaalsContact O-CG1 3.26Å; P766-I770 WeakPolarHBondContact O-CG1 3.37Å; P766-I770 PolarHBondContact O-N 3.49Å; Y767-I770 HydrophobicContact CD1-CB 4.25Å; Y767-I770 HydrophobicContact CD1-CD1 4.37Å; Y767-I770 HydrophobicContact CD1-CG2 4.35Å; Y767-I770 HydrophobicContact CE1-CD1 4.37Å; I770-T772 VanDerWaalsContact C-N 3.27Å; I770-T772 PolarHBondContact O-N 3.36Å; I770-T774 HydrophobicContact CG2-CG2 4.3Å; I770-T774 WeakPolarHBondContact O-CB 3.36Å; I770-T774 VanDerWaalsContact O-CG2 3.23Å; I770-T774 WeakPolarHBondContact O-CG2 3.38Å; I770-T774 PolarHBondContact O-N 2.82Å; I770-T774 VanDerWaalsContact O-N 3.09Å; I770-T774 PolarHBondContact O-OG1 2.94Å; I770-M791 HydrophobicContact CG1-CE 4.25Å; I770-M791 HydrophobicContact CG1-SD 4.13Å; I770-M791 HydrophobicContact CG2-CE 3.67Å; I770-M791 HydrophobicContact CG2-SD 4.28Å
771	G	98.3	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-33.6	-178.4	0	0	0	0	0	113	Q678 Y679 Y767 V769 T774 N775	Q678-G771 PolarHBondContact NE2-O 3.27Å; Y679-G771 VanDerWaalsContact OH-C 3.3Å; Y679-G771 WeakPolarHBondContact OH-CA 3.36Å; Y767-G771 WeakPolarHBondContact O-CA 3.42Å; Y767-G771 PolarHBondContact O-N 3.47Å; V769-G771 PolarHBondContact O-N 2.7Å; G771-T774 WeakPolarHBondContact CA-OG1 3.39Å; G771-T774 PolarHBondContact O-OG1 3.4Å; G771-N775 PolarHBondContact O-ND2 2.81Å; G771-N775 VanDerWaalsContact O-ND2 3.13Å
772	T	98.7	Very high	98.2	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-77.2	-48.9	-179.3	-55.5	0	0	0	0	112.2	D701 L705 F740 R768 V769 I770 T774 N775 S776	D701-T772 HydrophobicContact CB-CG2 4.46Å; D701-T772 WeakPolarHBondContact CB-OG1 3.45Å; L705-T772 HydrophobicContact CB-CG2 3.86Å; L705-T772 HydrophobicContact CD2-CG2 3.54Å; L705-T772 HydrophobicContact CG-CG2 4.33Å; F740-T772 HydrophobicContact CZ-CG2 4.07Å; R768-T772 WeakPolarHBondContact O-CB 3.29Å; R768-T772 PolarHBondContact O-OG1 3.48Å; V769-T772 PolarHBondContact O-N 3.04Å; I770-T772 VanDerWaalsContact C-N 3.27Å; I770-T772 PolarHBondContact O-N 3.36Å; T772-T774 VanDerWaalsContact C-N 3.34Å; T772-T774 PolarHBondContact O-N 3.42Å; T772-N775 PolarHBondContact O-N 3.15Å; T772-S776 PolarHBondContact O-N 3.08Å
773	I	98.2	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69.8	-31.4	-179.4	66.6	-174	0	0	0	112.9	F135 F740 V769 N775 S776 F779 M791	F135-I773 HydrophobicContact CB-CD1 3.16Å; F135-I773 HydrophobicContact CD1-CD1 3.69Å; F135-I773 HydrophobicContact CD1-CG2 4.36Å; F135-I773 HydrophobicContact CG-CD1 3.71Å; F740-I773 HydrophobicContact CD1-CG2 4.34Å; F740-I773 HydrophobicContact CE1-CG2 3.78Å; V769-I773 HydrophobicContact CG1-CD1 4.26Å; V769-I773 WeakPolarHBondContact O-CG1 3.47Å; V769-I773 PolarHBondContact O-N 3.2Å; V769-I773 VanDerWaalsContact O-N 3.09Å; I773-N775 PolarHBondContact O-N 3.34Å; I773-S776 PolarHBondContact O-N 2.9Å; I773-F779 HydrophobicContact CB-CB 4.39Å; I773-F779 HydrophobicContact CB-CD1 3.88Å; I773-F779 HydrophobicContact CB-CD2 4.06Å; I773-F779 HydrophobicContact CB-CE1 4.22Å; I773-F779 HydrophobicContact CB-CE2 4.37Å; I773-F779 HydrophobicContact CB-CG 3.81Å; I773-F779 HydrophobicContact CB-CZ 4.46Å; I773-F779 HydrophobicContact CD1-CE1 4.14Å; I773-F779 HydrophobicContact CD1-CE2 4.28Å; I773-F779 HydrophobicContact CD1-CZ 3.94Å; I773-F779 HydrophobicContact CG1-CD1 4.41Å; I773-F779 HydrophobicContact CG1-CE1 4.33Å; I773-F779 HydrophobicContact CG2-CD2 4.07Å; I773-F779 HydrophobicContact CG2-CE2 4.4Å; I773-F779 HydrophobicContact CG2-CG 4.26Å; I773-M791 HydrophobicContact CD1-CG 4.39Å; I773-M791 HydrophobicContact CD1-SD 3.66Å; I773-M791 HydrophobicContact CG1-SD 4.25Å
774	T	98.1	Very high	98.2	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-29.1	176.8	43.1	0	0	0	0	111.5	Q678 I770 G771 T772 S790 M791 P793 K796	Q678-T774 PolarHBondContact NE2-OG1 3.44Å; Q678-T774 VanDerWaalsContact NE2-OG1 3.12Å; I770-T774 HydrophobicContact CG2-CG2 4.3Å; I770-T774 WeakPolarHBondContact O-CB 3.36Å; I770-T774 VanDerWaalsContact O-CG2 3.23Å; I770-T774 WeakPolarHBondContact O-CG2 3.38Å; I770-T774 PolarHBondContact O-N 2.82Å; I770-T774 VanDerWaalsContact O-N 3.09Å; I770-T774 PolarHBondContact O-OG1 2.94Å; G771-T774 WeakPolarHBondContact CA-OG1 3.39Å; G771-T774 PolarHBondContact O-OG1 3.4Å; T772-T774 VanDerWaalsContact C-N 3.34Å; T772-T774 PolarHBondContact O-N 3.42Å; T774-S790 WeakPolarHBondContact CG2-O 3.31Å; T774-M791 HydrophobicContact CG2-CE 4.22Å; T774-P793 HydrophobicContact CG2-CG 4.28Å; T774-K796 WeakPolarHBondContact O-CG 3.48Å; T774-K796 PolarHBondContact O-NZ 3.1Å
775	N	98.4	Very high	98.3	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.032	17%	0.17	C	C	.	.	H	α-helix	trans	-86.2	-12.4	174.4	-69.2	-28.9	0	0	0	114.5	Q678 N702 G771 T772 I773 C797 H798	Q678-N775 PolarHBondContact NE2-ND2 3.09Å; Q678-N775 PolarHBondContact OE1-ND2 3.25Å; Q678-N775 PolarHBondContact OE1-OD1 2.73Å; N702-N775 VanDerWaalsContact OD1-CB 3.25Å; N702-N775 WeakPolarHBondContact OD1-CB 3.44Å; N702-N775 PolarHBondContact OD1-ND2 3.04Å; G771-N775 PolarHBondContact O-ND2 2.81Å; G771-N775 VanDerWaalsContact O-ND2 3.13Å; T772-N775 PolarHBondContact O-N 3.15Å; I773-N775 PolarHBondContact O-N 3.34Å; N775-C797 WeakPolarHBondContact CB-O 3.45Å; N775-C797 PolarHBondContact OD1-N 3.36Å; N775-H798 PolarHBondContact O-CE1 3.31Å
776	S	98.2	Very high	98.3	Very high	15 Å²	15	36.3 Å²	36.3	11%	0.105	18%	0.184	C	C	.	.			trans	-83.1	131.6	175.2	176.7	0	0	0	0	111.4	T772 I773 E778 F779 K796	T772-S776 PolarHBondContact O-N 3.08Å; I773-S776 PolarHBondContact O-N 2.9Å; S776-E778 PolarHBondContact OG-N 2.72Å; S776-E778 PolarHBondContact OG-OE2 3.47Å; S776-F779 PolarHBondContact OG-N 2.89Å; S776-K796 PolarHBondContact O-NZ 3.09Å
777	E	97.2	Very high	98.2	Very high	130 Å²	130	40.7 Å²	40.7	61%	0.607	21%	0.213	S	C	*	.	H	α-helix	trans	-80.9	-32.9	168	-65.4	-171.8	166.6	0	0	110.6	A780 K781 K796	E777-A780 PolarHBondContact O-N 3.3Å; E777-K781 WeakPolarHBondContact O-CB 3.47Å; E777-K781 PolarHBondContact O-N 3.24Å; E777-K796 HydrophobicContact CG-CD 3.94Å
778	E	97.8	Very high	98.1	Very high	56 Å²	56	41.1 Å²	41.1	26%	0.262	23%	0.231	S	C	.	.	H	α-helix	trans	-64.6	-45.3	179.4	-55.8	87.4	166.4	0	0	111.3	Y709 F737 S776 A780 K781 V782	Y709-E778 HydrophobicContact CD1-CB 3.91Å; Y709-E778 HydrophobicContact CD1-CG 3.88Å; Y709-E778 HydrophobicContact CE1-CB 3.52Å; Y709-E778 HydrophobicContact CE1-CG 3.65Å; F737-E778 HydrophobicContact CZ-CB 4.23Å; S776-E778 PolarHBondContact OG-N 2.72Å; S776-E778 PolarHBondContact OG-OE2 3.47Å; E778-A780 PolarHBondContact O-N 3.35Å; E778-K781 PolarHBondContact O-N 3.1Å; E778-V782 WeakPolarHBondContact O-CB 3.34Å; E778-V782 WeakPolarHBondContact O-CG2 3.35Å; E778-V782 PolarHBondContact O-N 2.97Å
779	F	98.7	Very high	98	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-53.8	-53.7	172.2	171.1	-97.6	0	0	0	111.5	F135 F737 I773 S776 K781 V782 F783 M791	F135-F779 HydrophobicContact CB-CE2 4.47Å; F135-F779 HydrophobicContact CB-CZ 4.07Å; F135-F779 AromaticContact CD1-CE2 3.83Å; F135-F779 HydrophobicContact CD1-CE2 3.83Å; F135-F779 HydrophobicContact CD1-CZ 4.28Å; F135-F779 AromaticContact CD2-CE2 3.6Å; F135-F779 HydrophobicContact CD2-CE2 3.6Å; F135-F779 AromaticContact CD2-CZ 3.66Å; F135-F779 HydrophobicContact CD2-CZ 3.66Å; F135-F779 AromaticContact CE1-CE2 3.85Å; F135-F779 HydrophobicContact CE1-CE2 3.85Å; F135-F779 AromaticContact CE2-CE2 3.65Å; F135-F779 HydrophobicContact CE2-CE2 3.65Å; F135-F779 HydrophobicContact CE2-CZ 4.15Å; F135-F779 AromaticContact CG-CE2 3.7Å; F135-F779 HydrophobicContact CG-CE2 3.7Å; F135-F779 AromaticContact CG-CZ 3.74Å; F135-F779 HydrophobicContact CG-CZ 3.74Å; F135-F779 AromaticContact CZ-CE2 3.78Å; F135-F779 HydrophobicContact CZ-CE2 3.78Å; F737-F779 HydrophobicContact CB-CD2 4.13Å; F737-F779 HydrophobicContact CD1-CB 4.17Å; F737-F779 AromaticContact CD1-CD2 3.88Å; F737-F779 HydrophobicContact CD1-CD2 3.88Å; F737-F779 HydrophobicContact CD2-CD2 4.27Å; F737-F779 HydrophobicContact CE1-CB 3.81Å; F737-F779 HydrophobicContact CE1-CD2 4.39Å; F737-F779 HydrophobicContact CE2-CB 4.39Å; F737-F779 AromaticContact CG-CD2 3.83Å; F737-F779 HydrophobicContact CG-CD2 3.83Å; F737-F779 HydrophobicContact CZ-CB 3.94Å; I773-F779 HydrophobicContact CB-CB 4.39Å; I773-F779 HydrophobicContact CB-CD1 3.88Å; I773-F779 HydrophobicContact CB-CD2 4.06Å; I773-F779 HydrophobicContact CB-CE1 4.22Å; I773-F779 HydrophobicContact CB-CE2 4.37Å; I773-F779 HydrophobicContact CB-CG 3.81Å; I773-F779 HydrophobicContact CB-CZ 4.46Å; I773-F779 HydrophobicContact CD1-CE1 4.14Å; I773-F779 HydrophobicContact CD1-CE2 4.28Å; I773-F779 HydrophobicContact CD1-CZ 3.94Å; I773-F779 HydrophobicContact CG1-CD1 4.41Å; I773-F779 HydrophobicContact CG1-CE1 4.33Å; I773-F779 HydrophobicContact CG2-CD2 4.07Å; I773-F779 HydrophobicContact CG2-CE2 4.4Å; I773-F779 HydrophobicContact CG2-CG 4.26Å; S776-F779 PolarHBondContact OG-N 2.89Å; F779-K781 VanDerWaalsContact C-N 3.26Å; F779-K781 PolarHBondContact O-N 3.17Å; F779-V782 PolarHBondContact O-N 3.04Å; F779-V782 VanDerWaalsContact O-N 3.08Å; F779-F783 AromaticContact CD2-CD2 3.71Å; F779-F783 HydrophobicContact CD2-CD2 3.71Å; F779-F783 AromaticContact CD2-CE2 3.99Å; F779-F783 HydrophobicContact CD2-CE2 3.99Å; F779-F783 AromaticContact CE2-CD2 3.39Å; F779-F783 HydrophobicContact CE2-CD2 3.39Å; F779-F783 AromaticContact CE2-CE2 3.69Å; F779-F783 HydrophobicContact CE2-CE2 3.69Å; F779-F783 HydrophobicContact CE2-CG 4.18Å; F779-F783 HydrophobicContact CZ-CD2 4Å; F779-F783 HydrophobicContact CZ-CG 4.39Å; F779-F783 PolarHBondContact O-N 3.26Å; F779-M791 HydrophobicContact CE1-CB 3.79Å; F779-M791 HydrophobicContact CZ-CB 4.45Å
780	A	98.5	Very high	98	Very high	7 Å²	7	44.8 Å²	44.8	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-60.6	-37.3	-177.9	0	0	0	0	0	112	E777 E778 N784 C785 N792	E777-A780 PolarHBondContact O-N 3.3Å; E778-A780 PolarHBondContact O-N 3.35Å; A780-N784 CarbonylContact O-C 3.31Å; A780-N784 WeakPolarHBondContact O-CA 3.24Å; A780-N784 PolarHBondContact O-N 3.26Å; A780-C785 HydrophobicContact CB-CB 4.36Å; A780-C785 PolarHBondContact O-N 2.64Å; A780-N792 VanDerWaalsContact CB-CG 3.41Å; A780-N792 WeakPolarHBondContact CB-OD1 3.2Å; A780-N792 HydrophobicContact CB-CB 3.97Å
781	K	98.4	Very high	98	Very high	169 Å²	169	44.4 Å²	44.4	74%	0.735	26%	0.257	S	S	*	.	H	α-helix	trans	-67.7	-42.4	173.4	-176.1	-179.6	178.6	-178	0	112.5	E777 E778 F779 N784	E777-K781 WeakPolarHBondContact O-CB 3.47Å; E777-K781 PolarHBondContact O-N 3.24Å; E778-K781 PolarHBondContact O-N 3.1Å; F779-K781 VanDerWaalsContact C-N 3.26Å; F779-K781 PolarHBondContact O-N 3.17Å; K781-N784 PolarHBondContact O-N 3.08Å
782	V	98.1	Very high	98	Very high	23 Å²	23	45.4 Å²	45.4	14%	0.139	26%	0.263	C	S	.	.	H	α-helix	trans	-68.9	-34	-176.5	165.7	0	0	0	0	112.4	D733 Q734 F737 E778 F779	D733-V782 HydrophobicContact CB-CB 4.44Å; D733-V782 HydrophobicContact CB-CG1 3.76Å; D733-V782 HydrophobicContact CB-CG2 3.72Å; Q734-V782 HydrophobicContact CB-CG1 4.31Å; Q734-V782 HydrophobicContact CG-CG1 3.55Å; F737-V782 HydrophobicContact CD2-CB 4.41Å; F737-V782 HydrophobicContact CD2-CG1 4.1Å; F737-V782 HydrophobicContact CE2-CB 4.18Å; F737-V782 HydrophobicContact CE2-CG1 4.3Å; F737-V782 HydrophobicContact CE2-CG2 4.13Å; E778-V782 WeakPolarHBondContact O-CB 3.34Å; E778-V782 WeakPolarHBondContact O-CG2 3.35Å; E778-V782 PolarHBondContact O-N 2.97Å; F779-V782 PolarHBondContact O-N 3.04Å; F779-V782 VanDerWaalsContact O-N 3.08Å
783	F	98.2	Very high	97.9	Very high	18 Å²	18	47.2 Å²	47.2	8%	0.079	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	2.8	174.5	-71.6	-86.7	0	0	0	114.3	P131 F135 Y138 Q734 F737 I738 F779 C785	P131-F783 HydrophobicContact CB-CD1 3.67Å; P131-F783 HydrophobicContact CB-CE1 4.15Å; P131-F783 HydrophobicContact CB-CG 4.22Å; P131-F783 HydrophobicContact CG-CD1 3.73Å; P131-F783 HydrophobicContact CG-CE1 4.44Å; P131-F783 HydrophobicContact CG-CG 4.44Å; F135-F783 HydrophobicContact CE2-CD1 4.41Å; F135-F783 HydrophobicContact CE2-CD2 4.36Å; F135-F783 AromaticContact CE2-CE1 3.87Å; F135-F783 HydrophobicContact CE2-CE1 3.87Å; F135-F783 AromaticContact CE2-CE2 3.83Å; F135-F783 HydrophobicContact CE2-CE2 3.83Å; F135-F783 AromaticContact CE2-CZ 3.56Å; F135-F783 HydrophobicContact CE2-CZ 3.56Å; F135-F783 AromaticContact CZ-CE2 3.92Å; F135-F783 HydrophobicContact CZ-CE2 3.92Å; F135-F783 AromaticContact CZ-CZ 3.79Å; F135-F783 HydrophobicContact CZ-CZ 3.79Å; Y138-F783 HydrophobicContact CE1-CE1 4.27Å; Q734-F783 HydrophobicContact CB-CE1 4.24Å; Q734-F783 HydrophobicContact CB-CE2 4.47Å; Q734-F783 HydrophobicContact CB-CZ 3.82Å; Q734-F783 HydrophobicContact CG-CD1 4.47Å; Q734-F783 HydrophobicContact CG-CE1 3.94Å; Q734-F783 HydrophobicContact CG-CE2 4.25Å; Q734-F783 HydrophobicContact CG-CZ 3.82Å; F737-F783 HydrophobicContact CB-CE2 3.91Å; F737-F783 HydrophobicContact CD2-CE2 4.16Å; F737-F783 HydrophobicContact CG-CE2 4.35Å; I738-F783 HydrophobicContact CD1-CZ 4.38Å; I738-F783 HydrophobicContact CG1-CZ 4.23Å; F779-F783 AromaticContact CD2-CD2 3.71Å; F779-F783 HydrophobicContact CD2-CD2 3.71Å; F779-F783 AromaticContact CD2-CE2 3.99Å; F779-F783 HydrophobicContact CD2-CE2 3.99Å; F779-F783 AromaticContact CE2-CD2 3.39Å; F779-F783 HydrophobicContact CE2-CD2 3.39Å; F779-F783 AromaticContact CE2-CE2 3.69Å; F779-F783 HydrophobicContact CE2-CE2 3.69Å; F779-F783 HydrophobicContact CE2-CG 4.18Å; F779-F783 HydrophobicContact CZ-CD2 4Å; F779-F783 HydrophobicContact CZ-CG 4.39Å; F779-F783 PolarHBondContact O-N 3.26Å; F783-C785 VanDerWaalsContact C-N 3.29Å; F783-C785 PolarHBondContact O-N 2.79Å
784	N	98.1	Very high	97.8	Very high	138 Å²	138	53.5 Å²	53.5	74%	0.738	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	40	-176.7	-59	-77.4	0	0	0	113.7	A780 K781	A780-N784 CarbonylContact O-C 3.31Å; A780-N784 WeakPolarHBondContact O-CA 3.24Å; A780-N784 PolarHBondContact O-N 3.26Å; K781-N784 PolarHBondContact O-N 3.08Å
785	C	98.5	Very high	97.7	Very high	7 Å²	7	59.7 Å²	59.7	5%	0.047	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-71.4	124	-177.4	-60.5	0	0	0	0	111.7	C132 A780 F783 N792	C132-C785 WeakPolarHBondContact CA-SG 3.46Å; C132-C785 HydrophobicContact CB-CB 3.61Å; C132-C785 WeakPolarHBondContact CB-SG 3.05Å; C132-C785 WeakPolarHBondContact SG-CA 3.26Å; C132-C785 WeakPolarHBondContact SG-CB 3.49Å; C132-C785 CovalentContact SG-SG 2.04Å; C132-C785 PolarHBondContact SG-SG 2.6Å; A780-C785 HydrophobicContact CB-CB 4.36Å; A780-C785 PolarHBondContact O-N 2.64Å; F783-C785 VanDerWaalsContact C-N 3.29Å; F783-C785 PolarHBondContact O-N 2.79Å; C785-N792 HydrophobicContact CB-CB 3.83Å; C785-N792 PolarHBondContact O-ND2 2.84Å
786	P	97.9	Very high	97.7	Very high	81 Å²	81	61 Å²	61	53%	0.526	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-65.8	144.2	-176.7	25.8	-31.8	0	0	0	110.9	G788 S789	P786-G788 PolarHBondContact O-N 2.93Å; P786-S789 PolarHBondContact O-N 2.96Å; P786-S789 WeakPolarHBondContact O-CB 3.28Å
787	P	96.8	Very high	97.7	Very high	118 Å²	118	60.6 Å²	60.6	77%	0.766	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	128.5	176.6	-25.6	34.7	0	0	0	111.7
788	G	95.9	Very high	97.5	Very high	55 Å²	55	58.1 Å²	58.1	57%	0.567	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	2.1	-176.3	0	0	0	0	0	115.2	P786 N792	P786-G788 PolarHBondContact O-N 2.93Å; G788-N792 PolarHBondContact N-O 2.93Å
789	S	97.5	Very high	97.4	Very high	16 Å²	16	55.7 Å²	55.7	11%	0.112	32%	0.318	C	S	.	.	S	Bend	trans	-65.9	159.7	164.4	92.6	0	0	0	0	110.5	C132 P786 M791 N792	C132-S789 WeakPolarHBondContact O-CB 3.45Å; C132-S789 PolarHBondContact O-OG 3.24Å; P786-S789 PolarHBondContact O-N 2.96Å; P786-S789 WeakPolarHBondContact O-CB 3.28Å; S789-M791 PolarHBondContact O-N 3.47Å; S789-N792 CarbonylContact O-C 3.13Å; S789-N792 PolarHBondContact O-N 3.31Å; S789-N792 PolarHBondContact OG-N 3.49Å
790	S	97.2	Very high	97.3	Very high	78 Å²	78	56.2 Å²	56.2	55%	0.545	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-40.3	-178.8	-55.4	0	0	0	0	112.9	D133 T774	D133-S790 WeakPolarHBondContact O-CB 3.48Å; T774-S790 WeakPolarHBondContact CG2-O 3.31Å
791	M	98.3	Very high	97.2	Very high	9 Å²	9	58.7 Å²	58.7	4%	0.044	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.7	178.2	-51.2	-68.4	92.6	0	0	113.9	P131 C132 D133 F135 I770 I773 T774 F779 S789	P131-M791 WeakPolarHBondContact O-CG 3.4Å; C132-M791 VanDerWaalsContact C-CG 3.45Å; C132-M791 WeakPolarHBondContact O-CB 3.09Å; C132-M791 WeakPolarHBondContact O-CG 3.41Å; C132-M791 PolarHBondContact O-N 3.32Å; D133-M791 WeakPolarHBondContact O-CE 3.37Å; F135-M791 HydrophobicContact CB-CG 4.43Å; F135-M791 HydrophobicContact CB-SD 4.17Å; I770-M791 HydrophobicContact CG1-CE 4.25Å; I770-M791 HydrophobicContact CG1-SD 4.13Å; I770-M791 HydrophobicContact CG2-CE 3.67Å; I770-M791 HydrophobicContact CG2-SD 4.28Å; I773-M791 HydrophobicContact CD1-CG 4.39Å; I773-M791 HydrophobicContact CD1-SD 3.66Å; I773-M791 HydrophobicContact CG1-SD 4.25Å; T774-M791 HydrophobicContact CG2-CE 4.22Å; F779-M791 HydrophobicContact CE1-CB 3.79Å; F779-M791 HydrophobicContact CZ-CB 4.45Å; S789-M791 PolarHBondContact O-N 3.47Å
792	N	98.4	Very high	97.1	Very high	21 Å²	21	52.9 Å²	52.9	11%	0.112	31%	0.313	C	S	.	.	S	Bend	trans	-135.9	63.6	173.9	-168.7	25	0	0	0	112.8	A780 C785 G788 S789 K796	A780-N792 VanDerWaalsContact CB-CG 3.41Å; A780-N792 WeakPolarHBondContact CB-OD1 3.2Å; A780-N792 HydrophobicContact CB-CB 3.97Å; C785-N792 HydrophobicContact CB-CB 3.83Å; C785-N792 PolarHBondContact O-ND2 2.84Å; G788-N792 PolarHBondContact N-O 2.93Å; S789-N792 CarbonylContact O-C 3.13Å; S789-N792 PolarHBondContact O-N 3.31Å; S789-N792 PolarHBondContact OG-N 3.49Å; N792-K796 VanDerWaalsContact OD1-CE 3.25Å; N792-K796 WeakPolarHBondContact OD1-CE 3.29Å; N792-K796 PolarHBondContact OD1-NZ 3.31Å
793	P	97.7	Very high	97.1	Very high	41 Å²	41	54.6 Å²	54.6	27%	0.266	32%	0.322	S	S	.	.			trans	-64.5	151.3	176.2	29.1	-36.3	0	0	0	111.9	T774	T774-P793 HydrophobicContact CG2-CG 4.28Å
794	V	96.5	Very high	97	Very high	131 Å²	131	56.7 Å²	56.7	79%	0.794	34%	0.337	S	S	*	.	S	Bend	trans	-69.6	-34.9	178.6	-179.1	0	0	0	0	111.9
795	K	96.4	Very high	97	Very high	135 Å²	135	51.6 Å²	51.6	59%	0.587	31%	0.312	S	S	*	.	S	Bend	trans	-88.8	114.3	169.8	-175.7	-170.3	177.8	-164.8	0	108	C674 D677	C674-K795 VanDerWaalsContact SG-CE 3.55Å; D677-K795 IonicContact OD2-NZ 2.97Å
796	K	97.6	Very high	96.9	Very high	34 Å²	34	54.6 Å²	54.6	15%	0.148	33%	0.329	C	S	.	.			trans	-110.9	143.9	169.6	-62.9	-177.3	-178.1	-83.9	0	109.3	T774 S776 E777 N792 H798	T774-K796 WeakPolarHBondContact O-CG 3.48Å; T774-K796 PolarHBondContact O-NZ 3.1Å; S776-K796 PolarHBondContact O-NZ 3.09Å; E777-K796 HydrophobicContact CG-CD 3.94Å; N792-K796 VanDerWaalsContact OD1-CE 3.25Å; N792-K796 WeakPolarHBondContact OD1-CE 3.29Å; N792-K796 PolarHBondContact OD1-NZ 3.31Å; K796-H798 WeakPolarHBondContact CB-NE2 3.3Å
797	C	97.6	Very high	96.8	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.034	32%	0.315	C	S	.	.			trans	-97.1	134.9	176	-61.9	0	0	0	0	110.3	C674 M675 N775	C674-C797 HydrophobicContact CB-CB 3.7Å; C674-C797 WeakPolarHBondContact CB-SG 3.46Å; C674-C797 PolarHBondContact O-SG 3.26Å; C674-C797 WeakPolarHBondContact SG-CA 3.49Å; C674-C797 WeakPolarHBondContact SG-CB 3.49Å; C674-C797 CovalentContact SG-SG 2.04Å; C674-C797 PolarHBondContact SG-SG 3.23Å; M675-C797 HydrophobicContact CE-CB 4.38Å; M675-C797 HydrophobicContact CG-CB 3.8Å; N775-C797 WeakPolarHBondContact CB-O 3.45Å; N775-C797 PolarHBondContact OD1-N 3.36Å
798	H	93.3	Very high	96.8	Very high	79 Å²	79	47.7 Å²	47.7	37%	0.366	28%	0.28	S	S	.	.			trans	-141.3	121.9	-178.7	-58.5	-73.3	0	0	0	109.9	N671 N775 K796	N671-H798 WeakPolarHBondContact CB-O 3.23Å; N775-H798 PolarHBondContact O-CE1 3.31Å; K796-H798 WeakPolarHBondContact CB-NE2 3.3Å
799	V	96.5	Very high	96.9	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.024	26%	0.257	C	S	.	.			trans	-105.9	-67.9	168.9	-176	0	0	0	0	107.6	W514 F668 N671 M675 I699	W514-V799 HydrophobicContact CZ2-CG1 4.15Å; W514-V799 WeakPolarHBondContact CZ2-O 3.33Å; W514-V799 PolarHBondContact NE1-O 2.99Å; F668-V799 HydrophobicContact CD2-CG1 3.72Å; F668-V799 HydrophobicContact CE2-CG1 3.61Å; N671-V799 HydrophobicContact CB-CG2 4.12Å; M675-V799 HydrophobicContact CE-CG2 4.07Å; M675-V799 HydrophobicContact SD-CG2 3.98Å; I699-V799 HydrophobicContact CG1-CG2 4.23Å
800	W	95.4	Very high	96.8	Very high	12 Å²	12	49.9 Å²	49.9	5%	0.045	27%	0.27	C	S	.	.			trans	-94.7	0	177.4	-54.6	119.3	0	0	0	112.2	F505 N508 F509 W514 M515 T640 F643 W660 F668 K706	F505-W800 HydrophobicContact CE2-CB 4.38Å; F505-W800 HydrophobicContact CZ-CB 4.42Å; F505-W800 HydrophobicContact CZ-CG 4.29Å; N508-W800 PolarHBondContact ND2-OXT 3.25Å; F509-W800 HydrophobicContact CD1-CZ3 4.4Å; F509-W800 HydrophobicContact CE1-CE3 4.01Å; F509-W800 AromaticContact CE1-CZ3 3.79Å; F509-W800 HydrophobicContact CE1-CZ3 3.79Å; W514-W800 AromaticContact CH2-CH2 3.42Å; W514-W800 HydrophobicContact CH2-CH2 3.42Å; W514-W800 VanDerWaalsContact CH2-CH2 3.42Å; W514-W800 HydrophobicContact CH2-CZ2 4.16Å; W514-W800 AromaticContact CH2-CZ3 3.7Å; W514-W800 HydrophobicContact CH2-CZ3 3.7Å; W514-W800 HydrophobicContact CZ2-CE3 4.1Å; W514-W800 AromaticContact CZ2-CH2 3.67Å; W514-W800 HydrophobicContact CZ2-CH2 3.67Å; W514-W800 HydrophobicContact CZ2-CZ2 4.29Å; W514-W800 AromaticContact CZ2-CZ3 3.55Å; W514-W800 HydrophobicContact CZ2-CZ3 3.55Å; M515-W800 HydrophobicContact CE-CZ3 4.48Å; M515-W800 HydrophobicContact SD-CH2 4.28Å; M515-W800 HydrophobicContact SD-CZ3 3.71Å; T640-W800 VanDerWaalsContact CG2-CD1 3.5Å; T640-W800 HydrophobicContact CG2-CG 4.34Å; F643-W800 HydrophobicContact CB-CD2 4.27Å; F643-W800 VanDerWaalsContact CB-CE2 3.47Å; F643-W800 HydrophobicContact CB-CH2 4.2Å; F643-W800 HydrophobicContact CB-CZ2 3.47Å; F643-W800 VanDerWaalsContact CB-CZ2 3.47Å; F643-W800 HydrophobicContact CG-CZ2 4.45Å; F643-W800 VanDerWaalsContact O-CE2 3.27Å; F643-W800 WeakPolarHBondContact O-CZ2 3.36Å; F643-W800 PolarHBondContact O-NE1 2.96Å; W660-W800 AromaticContact CH2-CH2 3.64Å; W660-W800 HydrophobicContact CH2-CH2 3.64Å; W660-W800 AromaticContact CH2-CZ2 3.84Å; W660-W800 HydrophobicContact CH2-CZ2 3.84Å; W660-W800 AromaticContact CZ2-CH2 3.84Å; W660-W800 HydrophobicContact CZ2-CH2 3.84Å; W660-W800 HydrophobicContact CZ2-CZ2 4.35Å; F668-W800 HydrophobicContact CD2-CH2 4.28Å; F668-W800 AromaticContact CD2-CZ2 3.76Å; F668-W800 HydrophobicContact CD2-CZ2 3.76Å; F668-W800 AromaticContact CE2-CZ2 3.61Å; F668-W800 HydrophobicContact CE2-CZ2 3.61Å; K706-W800 WeakPolarHBondContact CD-O 3.46Å; K706-W800 PolarHBondContact NZ-O 2.98Å; K706-W800 PolarHBondContact NZ-OXT 3.07Å

Retrieved 800 of 800 residues in 809.6 ms (Link to these results)

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