Q9ASK4_ORYSJ Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession Q9ASK4, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 698 aa.

Structure Viewer

Loading PAE data...

(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	46.2	Very low	48.9	Very low	241 Å²	241	125.5 Å²	125.5	100%	1.187	84%	0.838	S	S	*	*				0	89.3	0	-59.2	164.3	-179.2	0	0	105.2
2	A	45.2	Very low	48.5	Very low	93 Å²	93	120 Å²	120	77%	0.769	81%	0.809	S	S	*	*			cis	64.5	135.8	39.6	0	0	0	0	0	113.3
3	S	49.4	Very low	48	Very low	121 Å²	121	117.8 Å²	117.8	85%	0.846	79%	0.79	S	S	*	*			cis	-172.7	168.3	-18.2	-97.9	0	0	0	0	108.8
4	S	53.9	Low	47.9	Very low	112 Å²	112	112.5 Å²	112.5	78%	0.783	75%	0.753	S	S	*	*			trans	-67.8	-173.5	170.2	-36.8	0	0	0	0	112.8
5	P	59.1	Low	47.5	Very low	121 Å²	121	110.5 Å²	110.5	79%	0.786	75%	0.749	S	S	*	*			cis	-146.6	-152.9	11.1	44.4	-20.8	0	0	0	116.9
6	S	46.4	Very low	47	Very low	108 Å²	108	112.2 Å²	112.2	76%	0.755	76%	0.755	S	S	*	*			trans	-64.6	-155.9	175.4	-33.1	0	0	0	0	115.6
7	P	51.9	Low	46.6	Very low	109 Å²	109	111.2 Å²	111.2	71%	0.708	76%	0.757	S	S	*	*			cis	-145.3	159.2	-7.2	32	-7.6	0	0	0	120.8
8	S	44.6	Very low	46.2	Very low	117 Å²	117	110.8 Å²	110.8	82%	0.818	76%	0.763	S	S	*	*			trans	64	-173.6	137.4	-42.2	0	0	0	0	122.3
9	P	54.1	Low	45.9	Very low	134 Å²	134	110.6 Å²	110.6	87%	0.87	77%	0.769	S	S	*	*				-138.1	-170.5	-117.1	38.4	-13.1	0	0	0	118.9
10	G	44.7	Very low	45.6	Very low	75 Å²	75	109.8 Å²	109.8	77%	0.773	77%	0.769	S	S	*	*			trans	-165.8	171.3	175.1	0	0	0	0	0	116.8
11	T	42.7	Very low	45.6	Very low	150 Å²	150	110 Å²	110	92%	0.92	77%	0.768	S	S	*	*			trans	-130.8	-178.3	-167.9	42	0	0	0	0	114.9
12	A	44.2	Very low	45.3	Very low	59 Å²	59	103.8 Å²	103.8	49%	0.488	75%	0.748	S	S	.	*			trans	103	163.2	170.6	0	0	0	0	0	119.9	P203	A12-P203 WeakPolarHBondContact O-CD 3.31Å; A12-P203 WeakPolarHBondContact O-CG 3.46Å
13	T	41.9	Very low	45.2	Very low	92 Å²	92	106.5 Å²	106.5	56%	0.564	76%	0.755	S	S	*	*			cis	-168.6	122.5	-41.1	45.2	0	0	0	0	115.9	P201	T13-P201 WeakPolarHBondContact CA-O 3.4Å; T13-P201 HydrophobicContact CG2-CB 3.81Å; T13-P201 HydrophobicContact CG2-CG 3.51Å
14	P	45.8	Very low	45	Very low	43 Å²	43	104.9 Å²	104.9	28%	0.279	75%	0.75	S	S	.	*			trans	-154.7	-174.2	158.5	44.3	-25.4	0	0	0	117.7	P201 T202 P203	P14-P201 VanDerWaalsContact O-CB 3.29Å; P14-P201 WeakPolarHBondContact O-CB 3.29Å; P14-T202 VanDerWaalsContact CD-CA 3.48Å; P14-T202 VanDerWaalsContact CD-N 3.27Å; P14-T202 WeakPolarHBondContact CD-O 3.25Å; P14-T202 WeakPolarHBondContact CG-O 3.42Å; P14-P203 HydrophobicContact CG-CB 3.7Å
15	A	41.8	Very low	44.3	Very low	83 Å²	83	105.6 Å²	105.6	69%	0.686	75%	0.749	S	S	*	*			trans	-160.9	179.7	175.2	0	0	0	0	0	112.1
16	T	40.2	Very low	43.9	Very low	137 Å²	137	105.8 Å²	105.8	84%	0.84	75%	0.751	S	S	*	*			cis	-166	156.4	5.2	-15.9	0	0	0	0	114.4
17	A	40.7	Very low	43.9	Very low	96 Å²	96	106.7 Å²	106.7	79%	0.793	75%	0.752	S	S	*	*			trans	75.7	165	140.6	0	0	0	0	0	126.3
18	A	39.4	Very low	43.9	Very low	104 Å²	104	107.4 Å²	107.4	86%	0.86	76%	0.756	S	S	*	*			trans	84.6	144.4	169.7	0	0	0	0	0	119.7
19	A	40.4	Very low	43.9	Very low	106 Å²	106	105.6 Å²	105.6	88%	0.876	75%	0.748	S	S	*	*			cis	-161.8	175.3	-18.4	0	0	0	0	0	111.6
20	A	39.4	Very low	43.4	Very low	94 Å²	94	105.6 Å²	105.6	78%	0.777	75%	0.746	S	S	*	*			trans	-99.9	-163.3	-174.8	0	0	0	0	0	112.5
21	P	45	Very low	43.7	Very low	116 Å²	116	110.3 Å²	110.3	75%	0.753	75%	0.748	S	S	*	*			cis	-150.4	177.1	10.6	46.4	-25.5	0	0	0	120.8
22	S	41	Very low	44.2	Very low	110 Å²	110	108 Å²	108	77%	0.769	74%	0.736	S	S	*	*			trans	59.1	120	142.2	-65.2	0	0	0	0	125.4
23	T	42.5	Very low	44.1	Very low	149 Å²	149	112.5 Å²	112.5	91%	0.914	75%	0.752	S	S	*	*			trans	-179.1	159.9	137.4	23.9	0	0	0	0	108.2
24	A	44.3	Very low	44.2	Very low	88 Å²	88	112 Å²	112	73%	0.727	76%	0.757	S	S	*	*			cis	-162	-169.5	-22	0	0	0	0	0	109.1
25	T	40.8	Very low	44.1	Very low	127 Å²	127	116.1 Å²	116.1	78%	0.779	78%	0.781	S	S	*	*			trans	-154.6	159	174.2	-26.4	0	0	0	0	110.7
26	P	50.2	Low	44.4	Very low	125 Å²	125	118 Å²	118	81%	0.812	79%	0.787	S	S	*	*				-154.6	175.5	103.7	40.4	-22.2	0	0	0	117.3
27	T	46.2	Very low	44.6	Very low	127 Å²	127	116.6 Å²	116.6	78%	0.779	79%	0.789	S	S	*	*			trans	-128.3	166.3	168.1	-26.9	0	0	0	0	109.4
28	P	52.1	Low	44.7	Very low	123 Å²	123	119.2 Å²	119.2	80%	0.799	79%	0.789	S	S	*	*			trans	-150.8	164.9	131.5	35.7	-17.6	0	0	0	119
29	A	43.5	Very low	45.1	Very low	79 Å²	79	118.9 Å²	118.9	65%	0.653	78%	0.778	S	S	*	*			trans	-14.5	163.3	161.3	0	0	0	0	0	121.5
30	T	45.5	Very low	45.2	Very low	135 Å²	135	119.5 Å²	119.5	83%	0.828	78%	0.776	S	S	*	*				176.2	155.9	75.3	-58.5	0	0	0	0	109.9
31	Q	49.7	Very low	45.6	Very low	173 Å²	173	122.5 Å²	122.5	81%	0.808	78%	0.777	S	S	*	*			cis	-164.9	-164.2	-44	-125.4	-164.4	-7.8	0	0	108.4
32	P	53.5	Low	45.6	Very low	102 Å²	102	123.2 Å²	123.2	66%	0.662	78%	0.78	S	S	*	*			trans	-132.6	-178.3	-144.3	45.5	-27.3	0	0	0	119.1
33	N	42.7	Very low	45.9	Very low	154 Å²	154	123.4 Å²	123.4	82%	0.824	78%	0.779	S	S	*	*			trans	-165.8	139.5	142	-101.3	-18.7	0	0	0	108.6
34	A	44.3	Very low	46.1	Very low	81 Å²	81	122.2 Å²	122.2	67%	0.669	77%	0.774	S	S	*	*				72.2	133.1	58.4	0	0	0	0	0	112.3
35	T	43.6	Very low	46	Very low	130 Å²	130	122.8 Å²	122.8	80%	0.798	78%	0.778	S	S	*	*			cis	-153.8	153.4	23.4	-55.9	0	0	0	0	111
36	P	47	Very low	46.1	Very low	123 Å²	123	121.6 Å²	121.6	80%	0.799	78%	0.781	S	S	*	*			trans	-98.1	163.7	-178.6	38.1	-36.2	0	0	0	115.8
37	A	44.8	Very low	46.1	Very low	107 Å²	107	121 Å²	121	88%	0.884	78%	0.78	S	S	*	*			trans	-153.3	159.7	163.2	0	0	0	0	0	111.1
38	D	42.3	Very low	46.5	Very low	151 Å²	151	119.8 Å²	119.8	81%	0.807	77%	0.774	S	S	*	*			trans	-126.7	-153.9	-166	-169.5	39.1	0	0	0	111.9
39	P	48.8	Very low	46	Very low	97 Å²	97	120.2 Å²	120.2	63%	0.63	78%	0.777	S	S	*	*				-95.2	166.3	-93.4	35.1	-27.9	0	0	0	115.1
40	S	42.2	Very low	46.6	Very low	119 Å²	119	123.1 Å²	123.1	83%	0.832	78%	0.781	S	S	*	*			trans	-157.5	105.8	154.9	-84.4	0	0	0	0	115.6
41	I	46.8	Very low	46.6	Very low	156 Å²	156	122.1 Å²	122.1	80%	0.8	78%	0.776	S	S	*	*			trans	2.7	118	143.6	-50.1	169.8	0	0	0	117.3
42	T	45.2	Very low	46	Very low	131 Å²	131	120.3 Å²	120.3	80%	0.804	78%	0.783	S	S	*	*				175.4	117.7	124.9	25	0	0	0	0	114.3
43	P	47.7	Very low	45.5	Very low	114 Å²	114	119.8 Å²	119.8	74%	0.74	79%	0.788	S	S	*	*				-93.8	177.8	129.7	37.8	-32.1	0	0	0	109.5
44	P	46.1	Very low	45.6	Very low	125 Å²	125	117.1 Å²	117.1	81%	0.812	79%	0.786	S	S	*	*			cis	-127.2	175.8	0	42	-28.2	0	0	0	114.2
45	A	42.3	Very low	45.8	Very low	100 Å²	100	119.8 Å²	119.8	83%	0.826	80%	0.795	S	S	*	*			trans	-150.1	109.7	154.4	0	0	0	0	0	110.5
46	A	43.4	Very low	46.4	Very low	101 Å²	101	118.5 Å²	118.5	84%	0.835	79%	0.788	S	S	*	*			trans	-84.7	149.4	169	0	0	0	0	0	110.1
47	S	49.9	Very low	47.1	Very low	112 Å²	112	117.7 Å²	117.7	78%	0.783	78%	0.784	S	S	*	*			trans	-134.7	149	168.5	-76.2	0	0	0	0	109.5
48	P	54.2	Low	47.8	Very low	103 Å²	103	118.5 Å²	118.5	67%	0.669	78%	0.779	S	S	*	*			trans	-100.9	154.3	-130.1	36.6	-38.3	0	0	0	115.1	L50	P48-L50 HydrophobicContact CB-CD1 3.81Å; P48-L50 HydrophobicContact CG-CD1 3.95Å
49	P	43	Very low	48.3	Very low	131 Å²	131	119.3 Å²	119.3	85%	0.851	78%	0.779	S	S	*	*			trans	-85	113.4	169	32.9	-30.9	0	0	0	111.3
50	L	55.1	Low	48.7	Very low	141 Å²	141	120.2 Å²	120.2	74%	0.738	78%	0.784	S	S	*	*			trans	-146.1	152.3	169.9	-80.1	102.3	0	0	0	111.4	P48	P48-L50 HydrophobicContact CB-CD1 3.81Å; P48-L50 HydrophobicContact CG-CD1 3.95Å
51	P	45.1	Very low	49.3	Very low	113 Å²	113	122.2 Å²	122.2	73%	0.734	79%	0.786	S	S	*	*			cis	-128.2	136.1	-28.1	34.9	-19.6	0	0	0	112.6	A53	P51-A53 PolarHBondContact O-N 3.31Å
52	S	39.1	Very low	49.5	Very low	136 Å²	136	119.5 Å²	119.5	95%	0.951	78%	0.78	S	S	*	*			trans	-94.3	69.6	175	-169.5	0	0	0	0	111.9
53	A	42.4	Very low	50.5	Low	91 Å²	91	118.5 Å²	118.5	75%	0.752	78%	0.777	S	S	*	*			trans	-165.8	91.7	170.6	0	0	0	0	0	113.9	P51	P51-A53 PolarHBondContact O-N 3.31Å
54	A	43.6	Very low	51.7	Low	97 Å²	97	118.4 Å²	118.4	80%	0.802	78%	0.776	S	S	*	*			trans	-167.3	109.7	149.5	0	0	0	0	0	109.7
55	T	49.2	Very low	52.6	Low	137 Å²	137	118.4 Å²	118.4	84%	0.84	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-66.7	126.9	166.4	-45.3	0	0	0	0	107.8
56	P	56	Low	53.7	Low	103 Å²	103	118.8 Å²	118.8	67%	0.669	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-60.9	142.9	170.3	27.1	-33.5	0	0	0	108.9
57	P	62	Low	55.2	Low	107 Å²	107	119.4 Å²	119.4	70%	0.695	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-57.7	151.7	169.1	27.7	-34.5	0	0	0	109	Q59	P57-Q59 PolarHBondContact O-N 2.76Å; P57-Q59 VanDerWaalsContact O-N 3.09Å
58	P	59.9	Low	56.1	Low	123 Å²	123	119.4 Å²	119.4	80%	0.799	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-55.1	123.7	173.8	24.9	-33.3	0	0	0	108.4
59	Q	52.5	Low	56.8	Low	169 Å²	169	120.4 Å²	120.4	79%	0.79	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-57.5	132.6	168	-73.3	-173.8	-100.5	0	0	107.2	P57 D61	P57-Q59 PolarHBondContact O-N 2.76Å; P57-Q59 VanDerWaalsContact O-N 3.09Å; Q59-D61 PolarHBondContact O-N 2.99Å
60	P	57.5	Low	57.9	Low	116 Å²	116	118.3 Å²	118.3	75%	0.753	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-57	143.3	172.7	26.3	-34.1	0	0	0	108.6	S62	P60-S62 PolarHBondContact O-N 3.41Å; P60-S62 VanDerWaalsContact O-N 3.08Å
61	D	53.6	Low	58.3	Low	160 Å²	160	117 Å²	117	86%	0.856	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-46	119.9	-173	-71.6	-71.8	0	0	0	111	Q59 P63	Q59-D61 PolarHBondContact O-N 2.99Å; D61-P63 WeakPolarHBondContact O-CD 3.04Å; D61-P63 VanDerWaalsContact O-N 3.13Å
62	S	52.5	Low	59.2	Low	99 Å²	99	117.5 Å²	117.5	69%	0.692	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-59.6	121	175.3	-67.7	0	0	0	0	107.3	P60	P60-S62 PolarHBondContact O-N 3.41Å; P60-S62 VanDerWaalsContact O-N 3.08Å
63	P	65.9	Low	60.2	Low	111 Å²	111	117.5 Å²	117.5	72%	0.721	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-57.3	142.8	-175.6	22.9	-33.2	0	0	0	109.1	D61	D61-P63 WeakPolarHBondContact O-CD 3.04Å; D61-P63 VanDerWaalsContact O-N 3.13Å
64	P	71.7	Confident	60.7	Low	111 Å²	111	117.5 Å²	117.5	72%	0.721	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-53.7	141.4	-177.6	22.8	-33.6	0	0	0	109.7	S66	P64-S66 PolarHBondContact O-N 3.18Å; P64-S66 VanDerWaalsContact O-N 3.13Å
65	P	66.5	Low	61.2	Low	125 Å²	125	119.2 Å²	119.2	81%	0.812	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-53.3	125.6	-174.2	22.2	-33.6	0	0	0	109.2
66	S	65.8	Low	62	Low	109 Å²	109	117.6 Å²	117.6	76%	0.762	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-52.1	135.9	-175.6	-51.6	0	0	0	0	109.6	P64	P64-S66 PolarHBondContact O-N 3.18Å; P64-S66 VanDerWaalsContact O-N 3.13Å
67	P	73.9	Confident	62.1	Low	114 Å²	114	118.1 Å²	118.1	74%	0.74	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-54.9	143.4	179.7	23.9	-33.8	0	0	0	109.3
68	P	69.2	Low	61.9	Low	112 Å²	112	118.6 Å²	118.6	73%	0.727	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-54.3	141.6	179	24.2	-33.9	0	0	0	109.2	A70	P68-A70 PolarHBondContact O-N 2.82Å
69	P	68.5	Low	61.8	Low	124 Å²	124	117.4 Å²	117.4	81%	0.805	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-54.3	134.8	-178.8	23.6	-33.9	0	0	0	109.2
70	A	67.1	Low	61.8	Low	87 Å²	87	115.9 Å²	115.9	72%	0.719	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-50.2	138.7	-179.1	0	0	0	0	0	109.9	P68	P68-A70 PolarHBondContact O-N 2.82Å
71	P	62.9	Low	61.9	Low	113 Å²	113	116.5 Å²	116.5	73%	0.734	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-54.7	136.2	-179.6	24.1	-33.8	0	0	0	108.9	V73	P71-V73 PolarHBondContact O-N 3.41Å
72	P	63.2	Low	62.7	Low	124 Å²	124	113.8 Å²	113.8	81%	0.805	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-56.1	128.1	-177.4	23.3	-33.3	0	0	0	108.9	A74	P72-A74 PolarHBondContact O-N 3.21Å
73	V	60.5	Low	63.2	Low	135 Å²	135	114.4 Å²	114.4	82%	0.818	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-48.9	127.8	177.7	177.5	0	0	0	0	108	P71 V75	P71-V73 PolarHBondContact O-N 3.41Å; V73-V75 PolarHBondContact O-N 3.06Å
74	A	52.1	Low	63.2	Low	92 Å²	92	114.4 Å²	114.4	76%	0.76	76%	0.759	S	S	*	*			trans	-62.2	95.1	-171	0	0	0	0	0	110.7	P72 P76	P72-A74 PolarHBondContact O-N 3.21Å; A74-P76 WeakPolarHBondContact O-CD 3.48Å
75	V	55.5	Low	63	Low	132 Å²	132	115 Å²	115	80%	0.8	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-60.6	119.9	168.3	-179.5	0	0	0	0	106.1	V73	V73-V75 PolarHBondContact O-N 3.06Å
76	P	66.2	Low	62.7	Low	103 Å²	103	115.3 Å²	115.3	67%	0.669	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-59.5	139.6	178.8	25	-33.4	0	0	0	108.8	A74	A74-P76 WeakPolarHBondContact O-CD 3.48Å
77	P	58	Low	62.4	Low	115 Å²	115	115.9 Å²	115.9	75%	0.747	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-58.2	140.7	178.7	25.1	-33.7	0	0	0	109.5	A79	P77-A79 PolarHBondContact O-N 3.21Å
78	P	57.7	Low	61.5	Low	117 Å²	117	117.1 Å²	117.1	76%	0.76	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-57.6	139.2	174.4	26.4	-34.3	0	0	0	109	T80	P78-T80 PolarHBondContact O-N 3.41Å
79	A	57.5	Low	60.6	Low	98 Å²	98	116.1 Å²	116.1	81%	0.81	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-51.7	117.7	-174	0	0	0	0	0	110.8	P77 V81	P77-A79 PolarHBondContact O-N 3.21Å; A79-V81 PolarHBondContact O-N 2.92Å
80	T	52.6	Low	60.2	Low	136 Å²	136	115.2 Å²	115.2	83%	0.834	77%	0.765	S	S	*	*			trans	-65.9	109	-174.9	-4.3	0	0	0	0	109.4	P78	P78-T80 PolarHBondContact O-N 3.41Å
81	V	60	Low	60	Low	129 Å²	129	116.5 Å²	116.5	78%	0.782	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-55.7	126.3	166.8	-179.9	0	0	0	0	107.1	A79	A79-V81 PolarHBondContact O-N 2.92Å
82	P	69.4	Low	60	Low	103 Å²	103	116.5 Å²	116.5	67%	0.669	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-61.7	144.2	-179.9	25.6	-34.1	0	0	0	109.9
83	P	64.2	Low	59.9	Low	112 Å²	112	116.5 Å²	116.5	73%	0.727	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-59.1	147.9	173.6	27	-34.4	0	0	0	109.9
84	P	65	Low	59.6	Low	112 Å²	112	116 Å²	116	73%	0.727	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-57.7	148.3	174.5	26.5	-34.7	0	0	0	110.1	V86	P84-V86 PolarHBondContact O-N 2.89Å
85	P	67.2	Low	59.8	Low	124 Å²	124	117.7 Å²	117.7	81%	0.805	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-58.3	128	-179.1	24.4	-33.6	0	0	0	110
86	V	60.5	Low	59.6	Low	130 Å²	130	117 Å²	117	79%	0.788	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-56.2	134.4	172.2	-99.6	0	0	0	0	109.2	P84 V88	P84-V86 PolarHBondContact O-N 2.89Å; V86-V88 PolarHBondContact O-N 3.14Å
87	P	59.2	Low	58.8	Low	121 Å²	121	116.1 Å²	116.1	79%	0.786	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-55.8	127.9	172.7	-23.2	33.2	0	0	0	109.5	A89	P87-A89 PolarHBondContact O-N 3.09Å
88	V	54.9	Low	57.9	Low	140 Å²	140	117.2 Å²	117.2	85%	0.848	77%	0.774	S	S	*	*			trans	-67.1	99.8	173.1	179.3	0	0	0	0	107.3	V86 S90	V86-V88 PolarHBondContact O-N 3.14Å; V88-S90 PolarHBondContact O-N 3.08Å; V88-S90 VanDerWaalsContact O-N 3.16Å
89	A	51.4	Low	57.6	Low	91 Å²	91	119.4 Å²	119.4	75%	0.752	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-58.7	119.5	174.1	0	0	0	0	0	108.5	P87	P87-A89 PolarHBondContact O-N 3.09Å
90	S	58.7	Low	57.7	Low	105 Å²	105	119.8 Å²	119.8	73%	0.734	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-56.4	143.4	178.4	-51.4	0	0	0	0	110.2	V88	V88-S90 PolarHBondContact O-N 3.08Å; V88-S90 VanDerWaalsContact O-N 3.16Å
91	P	63.4	Low	58.3	Low	115 Å²	115	118.8 Å²	118.8	75%	0.747	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-57.7	144.7	173.8	26.3	-34.4	0	0	0	109.8
92	P	63.9	Low	58.4	Low	113 Å²	113	118.6 Å²	118.6	73%	0.734	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-59.3	146	176.3	26.4	-34.5	0	0	0	110.1	T94	P92-T94 PolarHBondContact O-N 3.09Å
93	P	60.3	Low	58	Low	123 Å²	123	119 Å²	119	80%	0.799	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-59.2	138.1	-179.4	25	-34.1	0	0	0	110.7
94	T	53.9	Low	58.1	Low	125 Å²	125	119.3 Å²	119.3	77%	0.767	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-61.4	134.3	178.3	27.1	0	0	0	0	110.9	P92 S96	P92-T94 PolarHBondContact O-N 3.09Å; T94-S96 PolarHBondContact O-N 3.18Å; T94-S96 VanDerWaalsContact O-N 3.13Å
95	P	56.5	Low	58	Low	128 Å²	128	120.1 Å²	120.1	83%	0.831	78%	0.783	S	S	*	*			trans	-68.6	113	179.1	27.5	-33.5	0	0	0	110.1	A97	P95-A97 PolarHBondContact O-N 2.85Å
96	S	50.2	Low	57.3	Low	116 Å²	116	118.5 Å²	118.5	81%	0.811	78%	0.78	S	S	*	*			trans	-73.6	125.5	177.3	-62.4	0	0	0	0	111.9	T94	T94-S96 PolarHBondContact O-N 3.18Å; T94-S96 VanDerWaalsContact O-N 3.13Å
97	A	49.8	Very low	56.5	Low	86 Å²	86	118 Å²	118	71%	0.711	78%	0.782	S	S	*	*			trans	40.7	84.3	153	0	0	0	0	0	117.9	P95 L99	P95-A97 PolarHBondContact O-N 2.85Å; A97-L99 PolarHBondContact O-N 3.31Å
98	T	38.7	Very low	56.4	Low	137 Å²	137	118.5 Å²	118.5	84%	0.84	78%	0.783	S	S	*	*			trans	21.4	100.9	131.2	-44.6	0	0	0	0	117.6
99	L	53.1	Low	56.4	Low	164 Å²	164	117.5 Å²	117.5	86%	0.859	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-101.1	136.1	149.6	-75.2	171.3	0	0	0	108.9	A97	A97-L99 PolarHBondContact O-N 3.31Å
100	P	59.5	Low	56.8	Low	106 Å²	106	119.6 Å²	119.6	69%	0.688	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-72	149.5	177.4	30.5	-34.5	0	0	0	111.2
101	P	65.4	Low	57.1	Low	114 Å²	114	119.6 Å²	119.6	74%	0.74	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-67.5	148.7	175	29.5	-35	0	0	0	111.4
102	P	61.1	Low	56.6	Low	125 Å²	125	120 Å²	120	81%	0.812	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-65.7	146.7	176.1	28.6	-34.9	0	0	0	111.4
103	S	60.9	Low	55.9	Low	112 Å²	112	120.9 Å²	120.9	78%	0.783	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-65.8	144.5	-179.1	-50.1	0	0	0	0	112.4
104	P	66.5	Low	55.8	Low	119 Å²	119	121.2 Å²	121.2	77%	0.773	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-69.6	146.8	176.3	29.6	-34.9	0	0	0	111.6
105	P	63.4	Low	55.2	Low	128 Å²	128	119.5 Å²	119.5	83%	0.831	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-67.3	156.3	172.2	29.8	-34.8	0	0	0	111.6
106	A	51.3	Low	54.7	Low	90 Å²	90	120 Å²	120	74%	0.744	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-76.9	140.3	-165	0	0	0	0	0	115.2
107	S	45.2	Very low	54.6	Low	120 Å²	120	120 Å²	120	84%	0.839	78%	0.783	S	S	*	*			trans	27.4	106.4	144.9	-53.9	0	0	0	0	119.4
108	V	57	Low	54.4	Low	132 Å²	132	121.6 Å²	121.6	80%	0.8	79%	0.786	S	S	*	*			trans	-115.5	136.1	155.4	-177.8	0	0	0	0	108.4
109	P	53.6	Low	55	Low	119 Å²	119	121.1 Å²	121.1	77%	0.773	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-73.2	142.7	-171.3	-17.4	32.1	0	0	0	114.1
110	V	61.3	Low	54.6	Low	134 Å²	134	122.3 Å²	122.3	81%	0.812	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-85.7	128.7	171.9	179	0	0	0	0	109.7
111	P	63.9	Low	53.9	Low	105 Å²	105	123 Å²	123	68%	0.682	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-71.4	151.4	175	29.9	-34.7	0	0	0	111.9
112	P	54.1	Low	53	Low	123 Å²	123	122.9 Å²	122.9	80%	0.799	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-73.6	138.4	-167.3	29	-35.8	0	0	0	113.8	P114	P112-P114 WeakPolarHBondContact O-CD 3.36Å
113	T	49.2	Very low	52	Low	132 Å²	132	122.4 Å²	122.4	81%	0.81	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-73	123.4	170.6	49.3	0	0	0	0	111.4	A115	T113-A115 PolarHBondContact O-N 3.43Å
114	P	56.6	Low	51	Low	130 Å²	130	123.5 Å²	123.5	84%	0.844	79%	0.789	S	S	*	*			trans	-77.4	106.6	170.7	30.7	-32.1	0	0	0	110.2	P112	P112-P114 WeakPolarHBondContact O-CD 3.36Å
115	A	41.4	Very low	49.8	Very low	90 Å²	90	127.2 Å²	127.2	74%	0.744	80%	0.796	S	S	*	*			trans	-80.9	136	163.3	0	0	0	0	0	109.8	T113	T113-A115 PolarHBondContact O-N 3.43Å
116	T	46.8	Very low	48.5	Very low	137 Å²	137	130.1 Å²	130.1	84%	0.84	80%	0.798	S	S	*	*			trans	-172.6	139.1	141	-77.6	0	0	0	0	110.1
117	T	48.4	Very low	48.4	Very low	118 Å²	118	130.5 Å²	130.5	72%	0.724	79%	0.793	S	S	*	*			trans	-42	148.3	-175.9	46.5	0	0	0	0	118.3
118	P	44.9	Very low	48.4	Very low	119 Å²	119	130.9 Å²	130.9	77%	0.773	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-71.9	141.1	165.7	37.4	-43.3	0	0	0	112.6
119	P	52.6	Low	47.8	Very low	127 Å²	127	131 Å²	131	83%	0.825	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-81.7	145.5	169.1	31.1	-33.1	0	0	0	112.5
120	K	44.5	Very low	47.2	Very low	188 Å²	188	130 Å²	130	82%	0.817	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-74.8	144.4	-177.6	-178.3	-176.3	177.4	-177.4	0	111.9
121	P	44.6	Very low	46.5	Very low	120 Å²	120	128.3 Å²	128.3	78%	0.779	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-69	141.3	175.4	28.9	-35.7	0	0	0	112.4
122	S	46	Very low	45.6	Very low	113 Å²	113	128.8 Å²	128.8	79%	0.79	80%	0.801	S	S	*	*			trans	-139.3	156.8	173	-79.3	0	0	0	0	110.3
123	P	40.6	Very low	45.5	Very low	114 Å²	114	128.7 Å²	128.7	74%	0.74	80%	0.8	S	S	*	*			trans	-106.9	156.9	-149.8	38.9	-35	0	0	0	116.7
124	V	39.6	Very low	45.8	Very low	136 Å²	136	127.5 Å²	127.5	82%	0.824	80%	0.795	S	S	*	*			trans	29.5	113.3	148.4	-172.3	0	0	0	0	118.4
125	Q	40.1	Very low	44.9	Very low	197 Å²	197	127.3 Å²	127.3	92%	0.921	79%	0.794	S	S	*	*			trans	-140.7	149	147.5	-122	173.2	6.7	0	0	110.5
126	Q	37.4	Very low	45.4	Very low	188 Å²	188	128.9 Å²	128.9	88%	0.879	80%	0.799	S	S	*	*			trans	-109.9	175.5	-175.2	-107.2	-165.1	-18.5	0	0	111.4
127	P	47.8	Very low	45.1	Very low	98 Å²	98	127.9 Å²	127.9	64%	0.636	80%	0.798	S	S	*	*			trans	-102.1	177.3	-138.6	42.2	-41.2	0	0	0	115.2
128	P	45.4	Very low	45	Very low	128 Å²	128	127.9 Å²	127.9	83%	0.831	80%	0.8	S	S	*	*			trans	-98.6	174.5	149.6	36.4	-29.1	0	0	0	112.7
129	V	44	Very low	45	Very low	136 Å²	136	126.9 Å²	126.9	82%	0.824	80%	0.802	S	S	*	*			trans	-131.5	160.9	-159.1	175.9	0	0	0	0	112.4
130	A	41.7	Very low	44.4	Very low	97 Å²	97	128.1 Å²	128.1	80%	0.802	80%	0.801	S	S	*	*			trans	79.9	148.2	172.7	0	0	0	0	0	116.2
131	A	46.5	Very low	44.7	Very low	98 Å²	98	127.2 Å²	127.2	81%	0.81	80%	0.804	S	S	*	*			cis	-139.6	156	16.3	0	0	0	0	0	114.8
132	S	44.4	Very low	45.4	Very low	116 Å²	116	126.4 Å²	126.4	81%	0.811	80%	0.799	S	S	*	*			trans	-90.8	164.6	175.3	-43	0	0	0	0	112.2
133	P	53	Low	46	Very low	121 Å²	121	126.4 Å²	126.4	79%	0.786	80%	0.797	S	S	*	*				-151.9	-173.1	95.8	41.6	-24.3	0	0	0	113.8
134	P	54.7	Low	47.3	Very low	106 Å²	106	127.1 Å²	127.1	69%	0.688	80%	0.801	S	S	*	*				-125.1	159.1	-57.9	37.6	-24.9	0	0	0	112.4
135	P	38.7	Very low	48	Very low	127 Å²	127	128 Å²	128	83%	0.825	80%	0.802	S	S	*	*			trans	-85.8	157.2	171.6	35.1	-33.6	0	0	0	112.5
136	S	50.6	Low	49.2	Very low	123 Å²	123	123.9 Å²	123.9	86%	0.86	79%	0.792	S	S	*	*			trans	-137.2	137.5	171.4	-66.1	0	0	0	0	111.2
137	S	41.4	Very low	50.5	Low	115 Å²	115	121.3 Å²	121.3	80%	0.804	79%	0.791	S	S	*	*			trans	-166.8	170.9	-170.1	-162.2	0	0	0	0	107.4
138	P	45.9	Very low	50.3	Low	118 Å²	118	121.4 Å²	121.4	77%	0.766	80%	0.8	S	S	*	*			cis	-118.9	-179.3	-19.1	36.8	-21.7	0	0	0	112.4
139	A	45	Very low	50.3	Low	99 Å²	99	126.3 Å²	126.3	82%	0.818	80%	0.802	S	S	*	*			trans	-153.3	140.5	155.1	0	0	0	0	0	110.6
140	D	41	Very low	50.3	Low	153 Å²	153	124.4 Å²	124.4	82%	0.818	80%	0.795	S	S	*	*			trans	-75.2	153.6	-175.4	-58.4	-91.8	0	0	0	114.5
141	L	50.9	Low	50.5	Low	168 Å²	168	127.6 Å²	127.6	88%	0.88	80%	0.798	S	S	*	*			trans	-174	118.2	131.8	-102.3	168.2	0	0	0	110.6
142	P	58.8	Low	50.6	Low	104 Å²	104	129.5 Å²	129.5	68%	0.675	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-81.5	159.4	174.9	33.3	-34.9	0	0	0	112.5
143	P	57.5	Low	50.7	Low	113 Å²	113	129.2 Å²	129.2	73%	0.734	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-68.8	150.4	177.7	29.4	-35.6	0	0	0	112.5
144	P	67.7	Low	50.8	Low	129 Å²	129	129.3 Å²	129.3	84%	0.838	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-73.1	129.5	-178	28.9	-34.4	0	0	0	112.5
145	N	56	Low	50.5	Low	155 Å²	155	130.1 Å²	130.1	83%	0.829	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-71.1	144.2	173.8	-80.3	-37.9	0	0	0	112.2
146	P	64.7	Low	50.6	Low	110 Å²	110	129.6 Å²	129.6	71%	0.714	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-70.9	148.5	163.7	31.7	-34.1	0	0	0	111
147	P	65.1	Low	50.2	Low	133 Å²	133	132.4 Å²	132.4	86%	0.864	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.6	134.7	-178.3	30.2	-34.6	0	0	0	112.3
148	A	43.7	Very low	50.2	Low	100 Å²	100	132.4 Å²	132.4	83%	0.826	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-100	127	180	0	0	0	0	0	113
149	R	44.1	Very low	51.1	Low	232 Å²	232	132.5 Å²	132.5	88%	0.875	79%	0.793	S	S	*	*			trans	-145.4	107.6	151.5	-72.6	-165.8	178.8	-172	-1.3	106.5
150	S	43.9	Very low	51.5	Low	96 Å²	96	133.1 Å²	133.1	67%	0.671	79%	0.789	S	S	*	*				65.1	92.4	74.8	75.9	0	0	0	0	112.8
151	D	47.4	Very low	51.6	Low	163 Å²	163	131.4 Å²	131.4	87%	0.872	79%	0.786	S	S	*	*				-164.3	166	115.1	-87.2	-23.2	0	0	0	110.6
152	T	48.4	Very low	52.1	Low	138 Å²	138	129.4 Å²	129.4	85%	0.847	78%	0.783	S	S	*	*			trans	-99.1	158.5	-158.3	32.3	0	0	0	0	115.9
153	P	46.6	Very low	51.5	Low	111 Å²	111	133.2 Å²	133.2	72%	0.721	79%	0.792	S	S	*	*			trans	-98.4	174.8	-172.2	40.1	-37.8	0	0	0	114.2
154	P	54.9	Low	50.7	Low	122 Å²	122	139.1 Å²	139.1	79%	0.792	80%	0.799	S	S	*	*			trans	-132.9	112.2	140.1	34.4	-21	0	0	0	114.6
155	V	47.3	Very low	49.3	Very low	124 Å²	124	145.1 Å²	145.1	75%	0.752	81%	0.805	S	S	*	*				41	107.7	118.7	-179.8	0	0	0	0	119.1
156	V	41.8	Very low	48.6	Very low	116 Å²	116	143.2 Å²	143.2	70%	0.703	80%	0.804	S	S	*	*			trans	51.2	117.6	130.3	-177.1	0	0	0	0	119.3
157	Q	42.2	Very low	47.5	Very low	182 Å²	182	143.6 Å²	143.6	85%	0.85	81%	0.807	S	S	*	*				-177.6	150.6	91.5	-144.4	149.8	78.2	0	0	112.6
158	S	42	Very low	46.3	Very low	115 Å²	115	149.2 Å²	149.2	80%	0.804	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-95.1	135.4	-175.7	-50.9	0	0	0	0	113.6
159	P	64.1	Low	46.5	Very low	120 Å²	120	150.9 Å²	150.9	78%	0.779	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-93.3	148.5	166.9	3	16.4	0	0	0	113.1
160	P	53	Low	46.7	Very low	112 Å²	112	145.4 Å²	145.4	73%	0.727	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-81.8	164.3	174.5	34.2	-35.7	0	0	0	113.3
161	P	44.3	Very low	46.4	Very low	116 Å²	116	153.4 Å²	153.4	75%	0.753	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-79.4	138.1	-173.2	31.1	-35.7	0	0	0	114.1
162	P	60.7	Low	46.3	Very low	127 Å²	127	149.9 Å²	149.9	83%	0.825	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-83.3	143.4	173	32.6	-33.6	0	0	0	112.8
163	H	45.8	Very low	46.1	Very low	183 Å²	183	149.1 Å²	149.1	85%	0.847	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-80.4	150.8	-179.8	-72.6	-93.8	0	0	0	114.2
164	R	40.2	Very low	46.1	Very low	237 Å²	237	149.1 Å²	149.1	89%	0.894	81%	0.812	S	S	*	*			trans	10.9	120.5	153.9	-66.9	-177.6	173	-158.3	-0.9	118.1
165	R	39	Very low	45.6	Very low	255 Å²	255	152.3 Å²	152.3	96%	0.962	82%	0.818	S	S	*	*				-159.4	153.9	111.6	-110.1	171.7	-175.3	-144.6	-0.7	112.8
166	S	42.4	Very low	45.5	Very low	116 Å²	116	151 Å²	151	81%	0.811	82%	0.82	S	S	*	*			trans	-82.7	164.1	-168.7	-48.5	0	0	0	0	113.1
167	P	41.3	Very low	45.9	Very low	118 Å²	118	151.1 Å²	151.1	77%	0.766	82%	0.824	S	S	*	*			trans	-93	170.8	-154.4	37	-38	0	0	0	115.5
168	R	38.6	Very low	46.1	Very low	251 Å²	251	148.1 Å²	148.1	95%	0.947	82%	0.823	S	S	*	*			trans	-129.9	133.9	152	-78.9	-171	170.1	-126.1	-2.4	110.4
169	T	49.1	Very low	46.4	Very low	135 Å²	135	148.7 Å²	148.7	83%	0.828	82%	0.823	S	S	*	*			trans	-90.6	171	-177.3	20.2	0	0	0	0	112.1
170	P	47	Very low	45.4	Very low	117 Å²	117	149.3 Å²	149.3	76%	0.76	83%	0.831	S	S	*	*			trans	-107.1	-177.7	-142.3	42	-39.9	0	0	0	115.5
171	W	38.7	Very low	44.8	Very low	264 Å²	264	147.7 Å²	147.7	100%	1	84%	0.835	S	S	*	*			trans	-108.9	164.5	159	-104.5	-29.1	0	0	0	112.5
172	A	44.2	Very low	45	Very low	88 Å²	88	147.6 Å²	147.6	73%	0.727	84%	0.837	S	S	*	*			trans	-101.7	162.4	-159.6	0	0	0	0	0	114.4
173	P	45.9	Very low	44.3	Very low	122 Å²	122	146.9 Å²	146.9	79%	0.792	83%	0.832	S	S	*	*			trans	-92.9	168.5	-177.2	38.3	-36.7	0	0	0	113.4
174	P	46.3	Very low	44.2	Very low	111 Å²	111	145.4 Å²	145.4	72%	0.721	84%	0.836	S	S	*	*			trans	-129.2	140.7	160.6	34.9	-20.2	0	0	0	115.5
175	M	43.9	Very low	44.2	Very low	190 Å²	190	142.6 Å²	142.6	94%	0.936	83%	0.83	S	S	*	*			trans	70.9	134.4	142	-63	165.9	65.1	0	0	121.5
176	A	44.5	Very low	44.4	Very low	96 Å²	96	136 Å²	136	79%	0.793	82%	0.821	S	S	*	*			trans	-130.9	153.9	160.2	0	0	0	0	0	109.1
177	P	51.2	Low	44.5	Very low	119 Å²	119	134.7 Å²	134.7	77%	0.773	81%	0.812	S	S	*	*			trans	-137.7	106.5	163.9	35	-17.4	0	0	0	114.9
178	S	46.1	Very low	44.4	Very low	118 Å²	118	135.3 Å²	135.3	83%	0.825	82%	0.816	S	S	*	*				56.6	177.9	124.6	-32.9	0	0	0	0	119.5
179	P	47.8	Very low	44.5	Very low	127 Å²	127	128 Å²	128	83%	0.825	81%	0.809	S	S	*	*				-133.9	173.4	-122.5	31.7	-6.6	0	0	0	117.2
180	S	43.1	Very low	44	Very low	133 Å²	133	127.1 Å²	127.1	93%	0.93	81%	0.808	S	S	*	*			trans	-163.9	159.2	160.5	-168.8	0	0	0	0	111.7
181	G	41.9	Very low	43.8	Very low	79 Å²	79	127.2 Å²	127.2	81%	0.814	81%	0.809	S	S	*	*			trans	117.5	83	164.4	0	0	0	0	0	117.2
182	S	47.3	Very low	44.1	Very low	113 Å²	113	119.9 Å²	119.9	79%	0.79	80%	0.798	S	S	*	*			trans	-129.7	179.6	172.6	60.4	0	0	0	0	110.1
183	P	46.1	Very low	43.9	Very low	112 Å²	112	121.4 Å²	121.4	73%	0.727	80%	0.8	S	S	*	*				-134.6	164.9	-52.6	37.1	-22.7	0	0	0	113.3
184	T	44.3	Very low	43.6	Very low	152 Å²	152	123.3 Å²	123.3	93%	0.933	80%	0.802	S	S	*	*			trans	-149.5	144	162	39.2	0	0	0	0	114
185	K	39.9	Very low	43.2	Very low	178 Å²	178	122.7 Å²	122.7	77%	0.774	81%	0.806	S	S	*	*			trans	-153.4	131.8	171.8	-178.9	-162.9	171.1	-174.2	0	109.9
186	P	43.5	Very low	42.9	Very low	117 Å²	117	117.6 Å²	117.6	76%	0.76	80%	0.803	S	S	*	*				-126.7	139	123.3	3	18.9	0	0	0	110
187	S	43.2	Very low	42.6	Very low	89 Å²	89	120.7 Å²	120.7	62%	0.622	81%	0.806	S	S	*	*				84.5	148.5	63.4	-66.7	0	0	0	0	113.6
188	P	40.9	Very low	42.2	Very low	131 Å²	131	120.3 Å²	120.3	85%	0.851	80%	0.804	S	S	*	*			trans	-112.1	171.6	-137.9	41.2	-36.1	0	0	0	116.1
189	A	40.4	Very low	41.9	Very low	98 Å²	98	121.9 Å²	121.9	81%	0.81	80%	0.801	S	S	*	*			trans	-145.8	139.2	164.2	0	0	0	0	0	113.2
190	S	38.2	Very low	41.6	Very low	116 Å²	116	122.7 Å²	122.7	81%	0.811	80%	0.797	S	S	*	*			trans	-133.4	153.3	152	-53.8	0	0	0	0	105.6
191	P	43	Very low	41.5	Very low	118 Å²	118	118.8 Å²	118.8	77%	0.766	77%	0.768	S	S	*	*				-158.3	178.7	104.9	41.5	-23.4	0	0	0	117
192	S	44.3	Very low	41.5	Very low	111 Å²	111	120.4 Å²	120.4	78%	0.776	76%	0.763	S	S	*	*			trans	91.4	139.9	145.4	-62.8	0	0	0	0	121.1
193	P	40.3	Very low	41.4	Very low	119 Å²	119	118.8 Å²	118.8	77%	0.773	75%	0.749	S	S	*	*			trans	-116.1	171.9	179.4	43.6	-34.9	0	0	0	114.9
194	I	38.9	Very low	41.2	Very low	162 Å²	162	120 Å²	120	83%	0.831	75%	0.75	S	S	*	*			trans	-160.5	123.3	158.3	-92.2	135.1	0	0	0	104.6
195	A	38.8	Very low	41	Very low	98 Å²	98	119.5 Å²	119.5	81%	0.81	74%	0.741	S	S	*	*			cis	92.8	115.3	43.2	0	0	0	0	0	113.2
196	G	36.9	Very low	41.1	Very low	84 Å²	84	115.4 Å²	115.4	87%	0.866	73%	0.733	S	S	*	*			trans	161.7	95.3	174.5	0	0	0	0	0	116
197	D	38.7	Very low	41	Very low	160 Å²	160	114.9 Å²	114.9	86%	0.856	73%	0.732	S	S	*	*			trans	-135	149.3	162.6	-102.8	-38.9	0	0	0	107.2
198	P	43.4	Very low	41.1	Very low	112 Å²	112	116 Å²	116	73%	0.727	74%	0.74	S	S	*	*				-152.6	128.2	120.8	33.6	-13.9	0	0	0	118.3
199	I	40.1	Very low	41.1	Very low	151 Å²	151	115.7 Å²	115.7	77%	0.774	74%	0.738	S	S	*	*				74.4	108.8	122.3	-59.9	172.9	0	0	0	121
200	I	40.9	Very low	40.9	Very low	143 Å²	143	119 Å²	119	73%	0.733	74%	0.741	S	S	*	*			trans	-48.7	144.2	155.9	-63.4	148.9	0	0	0	114.4
201	P	40.4	Very low	41	Very low	51 Å²	51	117.4 Å²	117.4	33%	0.331	74%	0.735	S	S	.	*			trans	-148	131.5	139	14.9	10.8	0	0	0	116.3	T13 P14	T13-P201 WeakPolarHBondContact CA-O 3.4Å; T13-P201 HydrophobicContact CG2-CB 3.81Å; T13-P201 HydrophobicContact CG2-CG 3.51Å; P14-P201 VanDerWaalsContact O-CB 3.29Å; P14-P201 WeakPolarHBondContact O-CB 3.29Å
202	T	41.8	Very low	40.7	Very low	113 Å²	113	118 Å²	118	69%	0.693	74%	0.737	S	S	*	*			trans	-146.9	151.2	170.9	50.5	0	0	0	0	115	P14	P14-T202 VanDerWaalsContact CD-CA 3.48Å; P14-T202 VanDerWaalsContact CD-N 3.27Å; P14-T202 WeakPolarHBondContact CD-O 3.25Å; P14-T202 WeakPolarHBondContact CG-O 3.42Å
203	P	45.2	Very low	40.5	Very low	79 Å²	79	118.1 Å²	118.1	51%	0.513	74%	0.735	S	S	.	*			trans	-121.7	153.6	-150.2	42.6	-33.6	0	0	0	122	A12 P14	A12-P203 WeakPolarHBondContact O-CD 3.31Å; A12-P203 WeakPolarHBondContact O-CG 3.46Å; P14-P203 HydrophobicContact CG-CB 3.7Å
204	N	41.4	Very low	40.5	Very low	138 Å²	138	117.9 Å²	117.9	74%	0.738	74%	0.736	S	S	*	*			trans	15.3	154.4	135.6	-62.4	-0.6	0	0	0	123.4
205	N	40.8	Very low	40.5	Very low	141 Å²	141	115 Å²	115	75%	0.754	74%	0.737	S	S	*	*			cis	174.3	-164.3	-20.6	-149.4	3.7	0	0	0	106.9
206	P	42.8	Very low	40.7	Very low	93 Å²	93	116.6 Å²	116.6	60%	0.604	74%	0.739	S	S	*	*				-121.3	-172.4	-50.7	24.1	-1.8	0	0	0	114.5
207	S	41.4	Very low	40.9	Very low	106 Å²	106	116 Å²	116	74%	0.741	73%	0.732	S	S	*	*			trans	86.2	150.4	154.6	-33.5	0	0	0	0	117.8
208	S	43.8	Very low	40.9	Very low	113 Å²	113	114.2 Å²	114.2	79%	0.79	73%	0.733	S	S	*	*			cis	-164.7	166.9	-19.1	-99.6	0	0	0	0	110.1
209	P	41.5	Very low	40.7	Very low	123 Å²	123	112.3 Å²	112.3	80%	0.799	73%	0.733	S	S	*	*			trans	-104.5	178	-164.9	40.6	-37.4	0	0	0	116.3
210	L	36.6	Very low	40.8	Very low	167 Å²	167	111.6 Å²	111.6	87%	0.874	74%	0.736	S	S	*	*			trans	132.8	146.3	141.1	-165.3	65.6	0	0	0	115.6
211	A	40.6	Very low	40.7	Very low	83 Å²	83	110.5 Å²	110.5	69%	0.686	74%	0.738	S	S	*	*			trans	67.6	152.1	165.4	0	0	0	0	0	117.6
212	T	36.9	Very low	40.8	Very low	132 Å²	132	114.2 Å²	114.2	81%	0.81	76%	0.759	S	S	*	*			cis	-157.7	155.2	-9.6	9.1	0	0	0	0	109.3
213	P	38.6	Very low	40.8	Very low	112 Å²	112	114.2 Å²	114.2	73%	0.727	76%	0.759	S	S	*	*			trans	-91.7	173.5	171.4	37.3	-34.8	0	0	0	113.5
214	S	40.6	Very low	40.5	Very low	114 Å²	114	116.2 Å²	116.2	80%	0.797	77%	0.77	S	S	*	*			trans	99.1	113.5	165.1	-40.6	0	0	0	0	117.6
215	A	40.4	Very low	40.6	Very low	103 Å²	103	114.8 Å²	114.8	85%	0.851	77%	0.769	S	S	*	*			trans	-168.2	100.1	146.7	0	0	0	0	0	111.5
216	P	42.2	Very low	40.6	Very low	131 Å²	131	113.2 Å²	113.2	85%	0.851	77%	0.768	S	S	*	*			trans	-98.5	142	162.8	35.1	-28.7	0	0	0	111.3
217	G	40.7	Very low	40.6	Very low	71 Å²	71	113 Å²	113	73%	0.732	78%	0.775	S	S	*	*			trans	-179.2	157.7	164.9	0	0	0	0	0	111.9
218	S	38.3	Very low	40.7	Very low	123 Å²	123	113.4 Å²	113.4	86%	0.86	78%	0.775	S	S	*	*			cis	151.4	118.8	-15.6	48.3	0	0	0	0	105.6
219	G	40.4	Very low	40.7	Very low	71 Å²	71	114 Å²	114	73%	0.732	77%	0.773	S	S	*	*			trans	118.3	122.1	-172.1	0	0	0	0	0	110.3
220	T	42.5	Very low	40.6	Very low	136 Å²	136	113.6 Å²	113.6	83%	0.834	77%	0.774	S	S	*	*			cis	-140.1	147.1	14.3	45.1	0	0	0	0	112.8
221	P	37.5	Very low	40.7	Very low	121 Å²	121	108.8 Å²	108.8	79%	0.786	76%	0.764	S	S	*	*			trans	-111.7	131.6	166.8	35.9	-26.4	0	0	0	112.7
222	V	42.6	Very low	41.1	Very low	128 Å²	128	111 Å²	111	78%	0.776	77%	0.772	S	S	*	*			trans	-141.3	99.6	170.3	179.9	0	0	0	0	106
223	V	41.4	Very low	41.7	Very low	113 Å²	113	110.2 Å²	110.2	69%	0.685	77%	0.769	S	S	*	*				63.5	93.2	92.6	173.1	0	0	0	0	110.8
224	T	39.1	Very low	41.9	Very low	121 Å²	121	110.4 Å²	110.4	74%	0.742	77%	0.773	S	S	*	*				65	155.3	72.1	69.1	0	0	0	0	114.9
225	P	43.4	Very low	42.4	Very low	109 Å²	109	111 Å²	111	71%	0.708	77%	0.774	S	S	*	*			cis	-135.3	-168.7	-19.2	34.1	-13	0	0	0	114.5
226	S	41.7	Very low	42.5	Very low	107 Å²	107	109.5 Å²	109.5	75%	0.748	77%	0.768	S	S	*	*			trans	71.3	131.9	153.4	-58.1	0	0	0	0	119
227	A	41.9	Very low	42.6	Very low	90 Å²	90	109.6 Å²	109.6	74%	0.744	77%	0.767	S	S	*	*			cis	80.2	152.5	42.3	0	0	0	0	0	114.1
228	P	44.7	Very low	43.1	Very low	113 Å²	113	110.5 Å²	110.5	73%	0.734	77%	0.767	S	S	*	*			cis	-141.7	-158.4	-27.2	36.1	-13.9	0	0	0	113.8
229	V	42.3	Very low	43.6	Very low	126 Å²	126	110.6 Å²	110.6	76%	0.764	77%	0.765	S	S	*	*			trans	87.8	129.4	142.6	154.4	0	0	0	0	122.5
230	S	40.2	Very low	43.7	Very low	115 Å²	115	111.7 Å²	111.7	80%	0.804	77%	0.767	S	S	*	*			trans	76.3	141.2	152.7	-76	0	0	0	0	124.7
231	G	39.2	Very low	43.7	Very low	65 Å²	65	111.4 Å²	111.4	67%	0.67	77%	0.765	S	S	*	*			trans	-87	-161	156.1	0	0	0	0	0	112.2
232	P	48.8	Very low	43.9	Very low	131 Å²	131	110 Å²	110	85%	0.851	76%	0.764	S	S	*	*				-143	-124.7	59	29.8	-2.9	0	0	0	115.1
233	P	48.7	Very low	43.9	Very low	115 Å²	115	108.7 Å²	108.7	75%	0.747	77%	0.766	S	S	*	*				-118.3	177.2	-93.8	35.7	-19.2	0	0	0	116.8
234	S	44.3	Very low	43.8	Very low	116 Å²	116	108.7 Å²	108.7	81%	0.811	76%	0.762	S	S	*	*			trans	-81.8	165	172.3	-40.7	0	0	0	0	114.6
235	P	49.8	Very low	43.8	Very low	127 Å²	127	112.3 Å²	112.3	83%	0.825	76%	0.762	S	S	*	*			trans	-144.5	137.4	145.1	36.3	-20.2	0	0	0	117.2
236	G	44	Very low	43.6	Very low	71 Å²	71	111.2 Å²	111.2	73%	0.732	76%	0.757	S	S	*	*			trans	75.9	158.9	153.3	0	0	0	0	0	119.2
237	T	43.2	Very low	43.5	Very low	133 Å²	133	112.8 Å²	112.8	82%	0.816	76%	0.757	S	S	*	*			cis	-163	107.8	-11.9	-68.4	0	0	0	0	106.5
238	A	50.9	Low	43.2	Very low	90 Å²	90	117 Å²	117	74%	0.744	76%	0.759	S	S	*	*				70.3	166.5	97.6	0	0	0	0	0	116.3
239	P	49.6	Very low	42.8	Very low	125 Å²	125	116.3 Å²	116.3	81%	0.812	76%	0.757	S	S	*	*				-139.5	164.4	-70.7	41	-26.2	0	0	0	115.6
240	A	42.5	Very low	42.7	Very low	93 Å²	93	117.5 Å²	117.5	77%	0.769	76%	0.758	S	S	*	*			trans	168.2	149	152.9	0	0	0	0	0	110.9
241	T	42.9	Very low	42.6	Very low	131 Å²	131	117 Å²	117	80%	0.804	75%	0.754	S	S	*	*			cis	-162.2	147.6	-15.9	21.4	0	0	0	0	109.7
242	A	41.2	Very low	42.9	Very low	92 Å²	92	119.6 Å²	119.6	76%	0.76	76%	0.759	S	S	*	*			trans	56.1	118.6	144.6	0	0	0	0	0	120.2
243	A	41.3	Very low	42.3	Very low	99 Å²	99	119.8 Å²	119.8	82%	0.818	75%	0.754	S	S	*	*				89.6	142.6	73.6	0	0	0	0	0	113.2
244	D	39.5	Very low	41.8	Very low	113 Å²	113	119.7 Å²	119.7	60%	0.604	75%	0.751	S	S	*	*			cis	-165.2	164.9	-11.9	-163.4	-2.9	0	0	0	111
245	R	39.5	Very low	41.6	Very low	197 Å²	197	121.3 Å²	121.3	74%	0.743	75%	0.746	S	S	*	*			trans	43.4	105.2	148.1	-100.4	167.5	-91.3	-167.4	0.4	124.1
246	S	39.7	Very low	41.1	Very low	87 Å²	87	123.1 Å²	123.1	61%	0.608	75%	0.749	S	S	*	*				75.1	162.9	106.9	77.8	0	0	0	0	124
247	N	39.2	Very low	40.9	Very low	139 Å²	139	123.4 Å²	123.4	74%	0.743	75%	0.751	S	S	*	*			trans	75.6	150.7	154.2	-76	-31.3	0	0	0	119.3
248	K	36.7	Very low	40.5	Very low	179 Å²	179	122.6 Å²	122.6	78%	0.778	75%	0.751	S	S	*	*			cis	-172.4	139.9	-28.1	-147.6	-165.3	178.5	-178.8	0	111.8
249	S	35	Very low	40	Very low	98 Å²	98	125.2 Å²	125.2	69%	0.685	76%	0.757	S	S	*	*			trans	68.3	169.7	144.2	-150.2	0	0	0	0	122.2
250	L	39.7	Very low	39.3	Very low	151 Å²	151	124.2 Å²	124.2	79%	0.791	75%	0.753	S	S	*	*			trans	71.9	144.2	167.8	-59.4	122.6	0	0	0	118.5
251	S	38.5	Very low	39.1	Very low	104 Å²	104	126 Å²	126	73%	0.727	76%	0.76	S	S	*	*			cis	-166.3	171.4	-23.4	-110	0	0	0	0	111.5
252	P	46.2	Very low	38.8	Very low	120 Å²	120	125.5 Å²	125.5	78%	0.779	76%	0.762	S	S	*	*			trans	-109.8	-155.1	-165.3	43.7	-37.5	0	0	0	115.8
253	N	35.3	Very low	39	Very low	136 Å²	136	129.3 Å²	129.3	73%	0.727	77%	0.769	S	S	*	*			trans	91.8	153.8	177.5	-130.9	33.6	0	0	0	114.5
254	T	39.1	Very low	39.1	Very low	113 Å²	113	127.4 Å²	127.4	69%	0.693	76%	0.759	S	S	*	*			cis	-147.7	179.6	27.4	-54.9	0	0	0	0	113.5
255	Q	39.9	Very low	39	Very low	149 Å²	149	125.6 Å²	125.6	70%	0.696	77%	0.768	S	S	*	*			trans	-76.2	161.1	-167.8	-55.1	139.6	-87.7	0	0	117.6
256	D	38.6	Very low	39.7	Very low	166 Å²	166	122.1 Å²	122.1	89%	0.888	76%	0.761	S	S	*	*				161.7	152	124	-82.9	-16.4	0	0	0	110.7
257	G	40.3	Very low	40.1	Very low	76 Å²	76	121.5 Å²	121.5	78%	0.784	76%	0.757	S	S	*	*			cis	-160.4	-175	-0.4	0	0	0	0	0	111.6
258	S	35.6	Very low	40.8	Very low	117 Å²	117	119.8 Å²	119.8	82%	0.818	76%	0.756	S	S	*	*			trans	-93.8	156.1	-165.8	60.7	0	0	0	0	117.1
259	V	40.8	Very low	41.6	Very low	145 Å²	145	115.9 Å²	115.9	88%	0.879	75%	0.752	S	S	*	*				-172	149.2	119.8	143.2	0	0	0	0	110.9
260	S	34	Very low	42.5	Very low	104 Å²	104	113.1 Å²	113.1	73%	0.727	74%	0.735	S	S	*	*			trans	-104.6	148.1	-174.4	56	0	0	0	0	114.7
261	S	38.1	Very low	43.5	Very low	130 Å²	130	112 Å²	112	91%	0.909	72%	0.723	S	S	*	*			trans	-157.9	145.5	149.5	-80.1	0	0	0	0	110.4
262	S	36.4	Very low	44.6	Very low	120 Å²	120	110 Å²	110	84%	0.839	71%	0.713	S	S	*	*			trans	-109.6	137.7	-170	54.6	0	0	0	0	112.9
263	D	45.2	Very low	45.7	Very low	172 Å²	172	106.1 Å²	106.1	92%	0.92	70%	0.695	S	S	*	*			trans	-151.1	168.9	158.3	-147.8	-16.8	0	0	0	112.4	G265	D263-G265 PolarHBondContact O-N 3.1Å
264	G	44.9	Very low	47.6	Very low	59 Å²	59	104.5 Å²	104.5	61%	0.608	69%	0.685	S	S	*	*			trans	-55.9	118.2	-157.1	0	0	0	0	0	118	M266	G264-M266 PolarHBondContact O-N 3.32Å; G264-M266 VanDerWaalsContact O-N 3.13Å
265	G	36.9	Very low	49.4	Very low	76 Å²	76	101.2 Å²	101.2	78%	0.784	67%	0.674	S	S	*	*			trans	-79.9	82.1	173.8	0	0	0	0	0	114.4	D263 S267	D263-G265 PolarHBondContact O-N 3.1Å; G265-S267 PolarHBondContact O-N 3.36Å
266	M	53.2	Low	51.3	Low	123 Å²	123	98.2 Å²	98.2	61%	0.606	67%	0.666	S	S	*	*			trans	-59.4	130.9	154.7	-75.9	163.2	62	0	0	109.2	G264 K271	G264-M266 PolarHBondContact O-N 3.32Å; G264-M266 VanDerWaalsContact O-N 3.13Å; M266-K271 WeakPolarHBondContact O-CE 3.48Å
267	S	48.8	Very low	53.2	Low	74 Å²	74	94.5 Å²	94.5	52%	0.517	65%	0.648	S	S	.	*			trans	-58.6	148.9	-171.2	63.2	0	0	0	0	113.1	G265 S269 A270 K271	G265-S267 PolarHBondContact O-N 3.36Å; S267-S269 PolarHBondContact O-N 2.7Å; S267-S269 VanDerWaalsContact O-N 3.08Å; S267-A270 PolarHBondContact O-N 2.87Å; S267-K271 PolarHBondContact O-N 3.21Å
268	S	54.6	Low	55.3	Low	104 Å²	104	94.8 Å²	94.8	73%	0.727	64%	0.635	S	S	*	*	H	α-helix	trans	-55	-32.1	-177.3	-51.4	0	0	0	0	112.9	A270 K271 A272	S268-A270 VanDerWaalsContact C-N 3.34Å; S268-A270 PolarHBondContact O-N 3.32Å; S268-K271 PolarHBondContact O-N 3.33Å; S268-A272 PolarHBondContact O-N 2.86Å
269	S	52.1	Low	57.6	Low	97 Å²	97	91.5 Å²	91.5	68%	0.678	62%	0.615	S	S	*	*	H	α-helix	trans	-56.9	-41.6	174.3	-38.6	0	0	0	0	113	S267 G273	S267-S269 PolarHBondContact O-N 2.7Å; S267-S269 VanDerWaalsContact O-N 3.08Å; S269-G273 PolarHBondContact O-N 3.4Å
270	A	55.4	Low	59.7	Low	40 Å²	40	89.6 Å²	89.6	33%	0.331	60%	0.598	S	S	.	*	H	α-helix	trans	-73.5	-39.7	-179.2	0	0	0	0	0	112	S267 S268 G273 I274	S267-A270 PolarHBondContact O-N 2.87Å; S268-A270 VanDerWaalsContact C-N 3.34Å; S268-A270 PolarHBondContact O-N 3.32Å; A270-G273 PolarHBondContact O-N 3.47Å; A270-I274 PolarHBondContact O-N 3.28Å
271	K	60.4	Low	62.2	Low	126 Å²	126	89.7 Å²	89.7	55%	0.548	59%	0.59	S	S	.	*	H	α-helix	trans	-66.5	-37.2	178.5	-64.3	-176.4	-179	178.9	0	111.7	M266 S267 S268 G275	M266-K271 WeakPolarHBondContact O-CE 3.48Å; S267-K271 PolarHBondContact O-N 3.21Å; S268-K271 PolarHBondContact O-N 3.33Å; K271-G275 PolarHBondContact O-N 3.22Å
272	A	61.1	Low	64.7	Low	62 Å²	62	87.3 Å²	87.3	51%	0.512	57%	0.57	S	S	.	*	H	α-helix	trans	-61.4	-46.3	172.3	0	0	0	0	0	112.4	S268 I274 G275 V276	S268-A272 PolarHBondContact O-N 2.86Å; A272-I274 PolarHBondContact O-N 2.89Å; A272-G275 PolarHBondContact O-N 2.65Å; A272-V276 WeakPolarHBondContact O-CG2 3.48Å; A272-V276 PolarHBondContact O-N 3.13Å; A272-V276 VanDerWaalsContact O-N 3.11Å
273	G	69.3	Low	67.1	Low	39 Å²	39	87.5 Å²	87.5	40%	0.402	56%	0.561	S	S	.	*	H	α-helix	trans	-59.4	-44.9	179.8	0	0	0	0	0	113.7	S269 A270 G275 V276 V277	S269-G273 PolarHBondContact O-N 3.4Å; A270-G273 PolarHBondContact O-N 3.47Å; G273-G275 PolarHBondContact O-N 3.36Å; G273-V276 PolarHBondContact O-N 2.7Å; G273-V277 WeakPolarHBondContact O-CG2 3.31Å; G273-V277 PolarHBondContact O-N 2.73Å; G273-V277 VanDerWaalsContact O-N 3.16Å
274	I	75.6	Confident	68.9	Low	103 Å²	103	83.2 Å²	83.2	53%	0.528	54%	0.544	S	S	.	.	H	α-helix	trans	-63.7	-42.6	177.8	-63.3	169	0	0	0	110.8	A270 A272 V276 V277 V278	A270-I274 PolarHBondContact O-N 3.28Å; A272-I274 PolarHBondContact O-N 2.89Å; I274-V276 VanDerWaalsContact C-N 3.34Å; I274-V276 PolarHBondContact O-N 3.41Å; I274-V277 PolarHBondContact O-N 2.86Å; I274-V278 HydrophobicContact CG2-CG2 4.38Å; I274-V278 WeakPolarHBondContact O-CG2 3.41Å; I274-V278 PolarHBondContact O-N 2.87Å
275	G	76.2	Confident	71.1	Confident	43 Å²	43	86.4 Å²	86.4	44%	0.443	55%	0.547	S	S	.	.	H	α-helix	trans	-58.4	-43.2	177.3	0	0	0	0	0	113.1	K271 A272 G273 A279	K271-G275 PolarHBondContact O-N 3.22Å; A272-G275 PolarHBondContact O-N 2.65Å; G273-G275 PolarHBondContact O-N 3.36Å; G275-A279 WeakPolarHBondContact O-CB 3.5Å; G275-A279 PolarHBondContact O-N 2.77Å
276	V	79.1	Confident	73.5	Confident	87 Å²	87	86.8 Å²	86.8	53%	0.527	53%	0.534	S	S	.	.	H	α-helix	trans	-64.5	-44.8	177.3	172.7	0	0	0	0	111.7	A272 G273 I274 V278 A279 I280	A272-V276 WeakPolarHBondContact O-CG2 3.48Å; A272-V276 PolarHBondContact O-N 3.13Å; A272-V276 VanDerWaalsContact O-N 3.11Å; G273-V276 PolarHBondContact O-N 2.7Å; I274-V276 VanDerWaalsContact C-N 3.34Å; I274-V276 PolarHBondContact O-N 3.41Å; V276-V278 PolarHBondContact O-N 2.65Å; V276-A279 PolarHBondContact O-N 3.14Å; V276-I280 HydrophobicContact CG1-CD1 3.74Å; V276-I280 HydrophobicContact CG1-CG1 4.45Å; V276-I280 VanDerWaalsContact O-CG1 3.31Å; V276-I280 WeakPolarHBondContact O-CG1 3.17Å; V276-I280 PolarHBondContact O-N 2.75Å
277	V	79.4	Confident	75	Confident	87 Å²	87	82.9 Å²	82.9	53%	0.527	53%	0.525	S	S	.	.	H	α-helix	trans	-63.8	-42.6	179.3	174.4	0	0	0	0	111.6	G273 I274 I280 L281	G273-V277 WeakPolarHBondContact O-CG2 3.31Å; G273-V277 PolarHBondContact O-N 2.73Å; G273-V277 VanDerWaalsContact O-N 3.16Å; I274-V277 PolarHBondContact O-N 2.86Å; V277-I280 PolarHBondContact O-N 3.06Å; V277-L281 HydrophobicContact CG1-CD1 4.18Å; V277-L281 WeakPolarHBondContact O-CG 3.21Å; V277-L281 PolarHBondContact O-N 3.28Å
278	V	84.8	Confident	76.7	Confident	82 Å²	82	82 Å²	82	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-64.8	-42.6	176.2	174.3	0	0	0	0	111.1	I274 V276 I280 L281 V282	I274-V278 HydrophobicContact CG2-CG2 4.38Å; I274-V278 WeakPolarHBondContact O-CG2 3.41Å; I274-V278 PolarHBondContact O-N 2.87Å; V276-V278 PolarHBondContact O-N 2.65Å; V278-I280 PolarHBondContact O-N 3.49Å; V278-L281 PolarHBondContact O-N 2.92Å; V278-V282 HydrophobicContact CG1-CG2 4.41Å; V278-V282 WeakPolarHBondContact O-CG2 3.37Å; V278-V282 PolarHBondContact O-N 3.45Å
279	A	83.5	Confident	78.1	Confident	48 Å²	48	79.7 Å²	79.7	40%	0.397	51%	0.509	S	S	.	.	H	α-helix	trans	-60.6	-43.9	176.5	0	0	0	0	0	112.3	G275 V276 V282 L283	G275-A279 WeakPolarHBondContact O-CB 3.5Å; G275-A279 PolarHBondContact O-N 2.77Å; V276-A279 PolarHBondContact O-N 3.14Å; A279-V282 PolarHBondContact O-N 3.21Å; A279-L283 WeakPolarHBondContact O-CB 3.29Å; A279-L283 VanDerWaalsContact O-CG 3.28Å; A279-L283 WeakPolarHBondContact O-CG 3.42Å; A279-L283 PolarHBondContact O-N 3.09Å
280	I	85.3	Confident	79.5	Confident	105 Å²	105	82 Å²	82	54%	0.538	51%	0.508	S	S	.	.	H	α-helix	trans	-62.4	-43.4	176.9	-69.7	167.1	0	0	0	111.2	V276 V277 V278 L283 S284	V276-I280 HydrophobicContact CG1-CD1 3.74Å; V276-I280 HydrophobicContact CG1-CG1 4.45Å; V276-I280 VanDerWaalsContact O-CG1 3.31Å; V276-I280 WeakPolarHBondContact O-CG1 3.17Å; V276-I280 PolarHBondContact O-N 2.75Å; V277-I280 PolarHBondContact O-N 3.06Å; V278-I280 PolarHBondContact O-N 3.49Å; I280-L283 PolarHBondContact O-N 3.21Å; I280-S284 WeakPolarHBondContact O-CB 3.17Å; I280-S284 PolarHBondContact O-N 3.42Å
281	L	86.7	Confident	80.7	Confident	106 Å²	106	87.6 Å²	87.6	56%	0.555	52%	0.52	S	S	*	.	H	α-helix	trans	-64.5	-42.5	177.5	-73.2	170.5	0	0	0	112.2	V277 V278 S284 L285	V277-L281 HydrophobicContact CG1-CD1 4.18Å; V277-L281 WeakPolarHBondContact O-CG 3.21Å; V277-L281 PolarHBondContact O-N 3.28Å; V278-L281 PolarHBondContact O-N 2.92Å; L281-S284 PolarHBondContact O-N 2.78Å; L281-L285 WeakPolarHBondContact O-CG 3.17Å; L281-L285 PolarHBondContact O-N 2.8Å
282	V	89	Confident	81.6	Confident	81 Å²	81	90 Å²	90	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-64.4	-45.5	175.9	171.8	0	0	0	0	111.1	V278 A279 S284 L285 V286	V278-V282 HydrophobicContact CG1-CG2 4.41Å; V278-V282 WeakPolarHBondContact O-CG2 3.37Å; V278-V282 PolarHBondContact O-N 3.45Å; A279-V282 PolarHBondContact O-N 3.21Å; V282-S284 VanDerWaalsContact C-N 3.32Å; V282-S284 PolarHBondContact O-N 2.9Å; V282-L285 PolarHBondContact O-N 3.38Å; V282-V286 HydrophobicContact CG1-CG2 4.39Å; V282-V286 WeakPolarHBondContact O-CG2 3.44Å; V282-V286 PolarHBondContact O-N 2.77Å
283	L	87.2	Confident	82.3	Confident	124 Å²	124	94 Å²	94	65%	0.649	53%	0.533	S	S	*	.	H	α-helix	trans	-61.3	-39.8	175.9	-74.1	168.4	0	0	0	112	A279 I280 V286 G287	A279-L283 WeakPolarHBondContact O-CB 3.29Å; A279-L283 VanDerWaalsContact O-CG 3.28Å; A279-L283 WeakPolarHBondContact O-CG 3.42Å; A279-L283 PolarHBondContact O-N 3.09Å; I280-L283 PolarHBondContact O-N 3.21Å; L283-V286 PolarHBondContact O-N 2.85Å; L283-G287 PolarHBondContact O-N 3.15Å
284	S	84.5	Confident	82.5	Confident	81 Å²	81	98.3 Å²	98.3	57%	0.566	54%	0.541	S	S	*	.	H	α-helix	trans	-64.3	-42.7	175.5	-171.9	0	0	0	0	112.1	I280 L281 V282 G287 A288	I280-S284 WeakPolarHBondContact O-CB 3.17Å; I280-S284 PolarHBondContact O-N 3.42Å; L281-S284 PolarHBondContact O-N 2.78Å; V282-S284 VanDerWaalsContact C-N 3.32Å; V282-S284 PolarHBondContact O-N 2.9Å; S284-G287 PolarHBondContact O-N 3.13Å; S284-A288 VanDerWaalsContact O-CB 3.31Å; S284-A288 WeakPolarHBondContact O-CB 3.08Å; S284-A288 PolarHBondContact O-N 3.43Å
285	L	89.5	Confident	82.1	Confident	127 Å²	127	99.5 Å²	99.5	67%	0.665	54%	0.542	S	S	*	.	H	α-helix	trans	-67.8	-41	176.6	-72.7	171.7	0	0	0	112.4	L281 V282 A288 A289	L281-L285 WeakPolarHBondContact O-CG 3.17Å; L281-L285 PolarHBondContact O-N 2.8Å; V282-L285 PolarHBondContact O-N 3.38Å; L285-A288 PolarHBondContact O-N 3.37Å; L285-A289 VanDerWaalsContact O-CB 3.32Å; L285-A289 WeakPolarHBondContact O-CB 3.46Å; L285-A289 PolarHBondContact O-N 2.93Å
286	V	87.9	Confident	81.6	Confident	83 Å²	83	106.9 Å²	106.9	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-63.8	-45	174	171.3	0	0	0	0	110.5	V282 L283 A289 F290	V282-V286 HydrophobicContact CG1-CG2 4.39Å; V282-V286 WeakPolarHBondContact O-CG2 3.44Å; V282-V286 PolarHBondContact O-N 2.77Å; L283-V286 PolarHBondContact O-N 2.85Å; V286-A289 PolarHBondContact O-N 3.41Å; V286-F290 WeakPolarHBondContact O-CB 3.26Å; V286-F290 PolarHBondContact O-N 3.08Å
287	G	84.4	Confident	80.4	Confident	41 Å²	41	112.3 Å²	112.3	42%	0.423	57%	0.568	S	S	.	*	H	α-helix	trans	-59.1	-46.9	175.4	0	0	0	0	0	112.4	L283 S284 F290 W291	L283-G287 PolarHBondContact O-N 3.15Å; S284-G287 PolarHBondContact O-N 3.13Å; G287-F290 PolarHBondContact O-N 3.45Å; G287-W291 WeakPolarHBondContact O-CB 3.2Å; G287-W291 PolarHBondContact O-N 3.44Å
288	A	85.2	Confident	79.1	Confident	55 Å²	55	118.3 Å²	118.3	46%	0.455	58%	0.581	S	S	.	*	H	α-helix	trans	-61.4	-44.7	175.1	0	0	0	0	0	112	S284 L285 F290 W291 Y292	S284-A288 VanDerWaalsContact O-CB 3.31Å; S284-A288 WeakPolarHBondContact O-CB 3.08Å; S284-A288 PolarHBondContact O-N 3.43Å; L285-A288 PolarHBondContact O-N 3.37Å; A288-F290 PolarHBondContact O-N 3.37Å; A288-W291 PolarHBondContact O-N 3.16Å; A288-Y292 WeakPolarHBondContact O-CB 3.37Å; A288-Y292 PolarHBondContact O-N 2.77Å
289	A	84	Confident	77.3	Confident	56 Å²	56	118.5 Å²	118.5	46%	0.463	59%	0.591	S	S	.	*	H	α-helix	trans	-64.9	-38	177.1	0	0	0	0	0	112.5	L285 V286 Y292 K293	L285-A289 VanDerWaalsContact O-CB 3.32Å; L285-A289 WeakPolarHBondContact O-CB 3.46Å; L285-A289 PolarHBondContact O-N 2.93Å; V286-A289 PolarHBondContact O-N 3.41Å; A289-Y292 PolarHBondContact O-N 3.29Å; A289-K293 WeakPolarHBondContact O-CB 3.29Å; A289-K293 PolarHBondContact O-N 3.22Å
290	F	81.9	Confident	75.3	Confident	146 Å²	146	120.6 Å²	120.6	64%	0.64	60%	0.599	S	S	*	*	H	α-helix	trans	-69.8	-38.9	175.3	-139.2	-80	0	0	0	111.4	V286 G287 A288 K293 K294	V286-F290 WeakPolarHBondContact O-CB 3.26Å; V286-F290 PolarHBondContact O-N 3.08Å; G287-F290 PolarHBondContact O-N 3.45Å; A288-F290 PolarHBondContact O-N 3.37Å; F290-K293 PolarHBondContact O-N 3.5Å; F290-K294 VanDerWaalsContact O-CB 3.22Å; F290-K294 WeakPolarHBondContact O-CB 3.29Å; F290-K294 PolarHBondContact O-N 2.82Å
291	W	80.4	Confident	72.8	Confident	157 Å²	157	119.3 Å²	119.3	60%	0.595	61%	0.611	S	S	*	*	H	α-helix	trans	-63.6	-43.7	172.9	-166.8	89.8	0	0	0	111.3	G287 A288 K294 K295	G287-W291 WeakPolarHBondContact O-CB 3.2Å; G287-W291 PolarHBondContact O-N 3.44Å; A288-W291 PolarHBondContact O-N 3.16Å; W291-K294 PolarHBondContact O-N 3.31Å; W291-K295 HydrophobicContact CE3-CD 4.26Å; W291-K295 HydrophobicContact CH2-CD 3.92Å; W291-K295 HydrophobicContact CZ3-CD 3.76Å; W291-K295 VanDerWaalsContact O-CB 3.26Å; W291-K295 WeakPolarHBondContact O-CB 3.37Å; W291-K295 PolarHBondContact O-N 3.08Å
292	Y	78.7	Confident	70.2	Confident	176 Å²	176	125 Å²	125	69%	0.69	63%	0.627	S	S	*	*	H	α-helix	trans	-63.6	-42.8	175	-131.1	-90.6	0	0	0	111.9	A288 A289 K295 R296	A288-Y292 WeakPolarHBondContact O-CB 3.37Å; A288-Y292 PolarHBondContact O-N 2.77Å; A289-Y292 PolarHBondContact O-N 3.29Å; Y292-K295 PolarHBondContact O-N 2.69Å; Y292-R296 VanDerWaalsContact O-CB 3.28Å; Y292-R296 WeakPolarHBondContact O-CB 3.48Å; Y292-R296 PolarHBondContact O-N 2.79Å
293	K	76.2	Confident	67.3	Low	147 Å²	147	130.3 Å²	130.3	64%	0.639	65%	0.646	S	S	*	*	H	α-helix	trans	-63.5	-41	172.4	-83.6	-179.2	173.9	174.5	0	112.3	A289 F290 R296 R297	A289-K293 WeakPolarHBondContact O-CB 3.29Å; A289-K293 PolarHBondContact O-N 3.22Å; F290-K293 PolarHBondContact O-N 3.5Å; K293-R296 PolarHBondContact O-N 3.17Å; K293-R297 WeakPolarHBondContact O-CB 3.11Å; K293-R297 WeakPolarHBondContact O-CG 3.16Å; K293-R297 PolarHBondContact O-N 3.32Å
294	K	72.6	Confident	64.9	Low	130 Å²	130	128.9 Å²	128.9	57%	0.565	65%	0.652	S	S	*	*	H	α-helix	trans	-69.8	-35.5	178.5	-167	170	-175.5	174.1	0	112	F290 W291 R298	F290-K294 VanDerWaalsContact O-CB 3.22Å; F290-K294 WeakPolarHBondContact O-CB 3.29Å; F290-K294 PolarHBondContact O-N 2.82Å; W291-K294 PolarHBondContact O-N 3.31Å; K294-R298 WeakPolarHBondContact O-CG 3.44Å; K294-R298 PolarHBondContact O-N 2.86Å
295	K	68.3	Low	62.2	Low	128 Å²	128	128.5 Å²	128.5	56%	0.557	66%	0.661	S	S	*	*	H	α-helix	trans	-70.1	-44	172.8	-167.8	170.6	-178.2	177.5	0	111.3	W291 Y292 R298 A299	W291-K295 HydrophobicContact CE3-CD 4.26Å; W291-K295 HydrophobicContact CH2-CD 3.92Å; W291-K295 HydrophobicContact CZ3-CD 3.76Å; W291-K295 VanDerWaalsContact O-CB 3.26Å; W291-K295 WeakPolarHBondContact O-CB 3.37Å; W291-K295 PolarHBondContact O-N 3.08Å; Y292-K295 PolarHBondContact O-N 2.69Å; K295-R298 PolarHBondContact O-N 2.95Å; K295-R298 VanDerWaalsContact O-N 3.13Å; K295-A299 PolarHBondContact O-N 2.96Å
296	R	64.5	Low	59.5	Low	197 Å²	197	132.4 Å²	132.4	74%	0.743	67%	0.673	S	S	*	*	H	α-helix	trans	-65.7	-39.1	175.3	-164.6	172.2	-176	176.3	1	112.5	Y292 K293 R298 A299	Y292-R296 VanDerWaalsContact O-CB 3.28Å; Y292-R296 WeakPolarHBondContact O-CB 3.48Å; Y292-R296 PolarHBondContact O-N 2.79Å; K293-R296 PolarHBondContact O-N 3.17Å; R296-R298 PolarHBondContact O-N 2.94Å; R296-A299 WeakPolarHBondContact O-CB 3.44Å; R296-A299 PolarHBondContact O-N 3.02Å
297	R	55.2	Low	56.9	Low	202 Å²	202	134.8 Å²	134.8	76%	0.762	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-14.1	172	-77.3	-175.1	177.2	-168.5	-0.6	114.3	K293	K293-R297 WeakPolarHBondContact O-CB 3.11Å; K293-R297 WeakPolarHBondContact O-CG 3.16Å; K293-R297 PolarHBondContact O-N 3.32Å
298	R	52.1	Low	54.4	Low	213 Å²	213	139.5 Å²	139.5	80%	0.804	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-5.3	169.4	-75.9	177	171.9	-177.4	-3.7	113.4	K294 K295 R296	K294-R298 WeakPolarHBondContact O-CG 3.44Å; K294-R298 PolarHBondContact O-N 2.86Å; K295-R298 PolarHBondContact O-N 2.95Å; K295-R298 VanDerWaalsContact O-N 3.13Å; R296-R298 PolarHBondContact O-N 2.94Å
299	A	47.3	Very low	52	Low	85 Å²	85	142.2 Å²	142.2	70%	0.702	71%	0.713	S	S	*	*	S	Bend	trans	-102.8	0.3	177.6	0	0	0	0	0	113.6	K295 R296	K295-A299 PolarHBondContact O-N 2.96Å; R296-A299 WeakPolarHBondContact O-CB 3.44Å; R296-A299 PolarHBondContact O-N 3.02Å
300	T	41.4	Very low	49.5	Very low	93 Å²	93	145 Å²	145	57%	0.571	73%	0.729	S	S	*	*	S	Bend	trans	-124.4	113	173.2	50	0	0	0	0	108.2
301	G	32.1	Very low	47.3	Very low	77 Å²	77	143.5 Å²	143.5	79%	0.794	73%	0.734	S	S	*	*			trans	-64.2	154	-176.7	0	0	0	0	0	112.9
302	Y	32.1	Very low	45.3	Very low	226 Å²	226	140.4 Å²	140.4	89%	0.886	74%	0.742	S	S	*	*			trans	-133.1	128.5	168.8	-123.1	-90.1	0	0	0	110.8
303	H	28.8	Very low	43.4	Very low	192 Å²	192	137.9 Å²	137.9	89%	0.889	75%	0.75	S	S	*	*			trans	-94.3	108.8	-176.3	-154.8	-46.5	0	0	0	108.6
304	A	35	Very low	41.5	Very low	94 Å²	94	136.1 Å²	136.1	78%	0.777	76%	0.757	S	S	*	*			trans	-151.6	140.2	170.5	0	0	0	0	0	108.3
305	G	28.2	Very low	39.8	Very low	74 Å²	74	135.7 Å²	135.7	76%	0.763	77%	0.767	S	S	*	*			cis	145.7	64.3	5.8	0	0	0	0	0	109.4
306	F	34.2	Very low	38.1	Very low	208 Å²	208	138.2 Å²	138.2	91%	0.912	78%	0.78	S	S	*	*			trans	-136.1	141.4	-178.6	-136.6	-92.8	0	0	0	110.6
307	V	33	Very low	36.8	Very low	133 Å²	133	135.6 Å²	135.6	81%	0.806	79%	0.786	S	S	*	*			trans	-85	135	-169.2	-174.1	0	0	0	0	110.3
308	M	32.3	Very low	35.6	Very low	140 Å²	140	134.6 Å²	134.6	69%	0.69	80%	0.795	S	S	*	*			trans	-105.1	129.1	175.1	-160.2	-164.9	91.7	0	0	110.1
309	P	33.9	Very low	34.6	Very low	113 Å²	113	127.2 Å²	127.2	73%	0.734	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-73.9	134.2	168.5	30.2	-32.4	0	0	0	110.3
310	S	31.9	Very low	33.9	Very low	113 Å²	113	133.8 Å²	133.8	79%	0.79	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-69.1	134.5	-177	-55.6	0	0	0	0	112.7
311	P	34.8	Very low	33.4	Very low	116 Å²	116	134 Å²	134	75%	0.753	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-80.6	135	166.7	32.8	-32.2	0	0	0	110.6
312	A	38.2	Very low	33.4	Very low	91 Å²	91	132.9 Å²	132.9	75%	0.752	79%	0.787	S	S	*	*			trans	-130.4	153.5	168.5	0	0	0	0	0	109.6
313	S	39.7	Very low	33.4	Very low	124 Å²	124	130.9 Å²	130.9	87%	0.867	78%	0.783	S	S	*	*			trans	67.9	88	176	-53.5	0	0	0	0	116.7
314	S	35.3	Very low	33.7	Very low	110 Å²	110	126.1 Å²	126.1	77%	0.769	77%	0.768	S	S	*	*			trans	-73.1	172.3	157	-49.8	0	0	0	0	111.1
315	P	38.3	Very low	33.5	Very low	120 Å²	120	129.2 Å²	129.2	78%	0.779	77%	0.771	S	S	*	*				-139.7	131.3	94.8	34.6	-20.8	0	0	0	115.8
316	Q	32.4	Very low	33.9	Very low	181 Å²	181	135.3 Å²	135.3	85%	0.846	77%	0.772	S	S	*	*			trans	26.6	95.2	138.9	-56.9	-68.9	-0.4	0	0	118.4
317	V	37.4	Very low	33.8	Very low	143 Å²	143	130.7 Å²	130.7	87%	0.867	77%	0.766	S	S	*	*			trans	-129	131.2	149.4	179.9	0	0	0	0	108.2	G319	V317-G319 PolarHBondContact O-N 2.83Å
318	L	29.4	Very low	33.7	Very low	180 Å²	180	129.5 Å²	129.5	94%	0.942	77%	0.77	S	S	*	*			trans	-86.2	107.1	-171.2	-171.9	70.5	0	0	0	110.5
319	G	30.2	Very low	33.8	Very low	58 Å²	58	126.4 Å²	126.4	60%	0.598	77%	0.774	S	S	*	*			trans	-163.1	86.5	-175.4	0	0	0	0	0	115.3	V317 S321	V317-G319 PolarHBondContact O-N 2.83Å; G319-S321 PolarHBondContact O-N 3.46Å
320	Y	33.1	Very low	33.9	Very low	224 Å²	224	124.2 Å²	124.2	88%	0.878	76%	0.761	S	S	*	*			trans	30	52.4	155.8	-140.4	-92.2	0	0	0	119.2	G322	Y320-G322 PolarHBondContact O-N 3.44Å; Y320-G322 VanDerWaalsContact O-N 3.1Å
321	S	31	Very low	34.4	Very low	97 Å²	97	123.9 Å²	123.9	68%	0.678	76%	0.757	S	S	*	*			trans	-81.9	85.2	172	-170.1	0	0	0	0	111.2	G319 K323	G319-S321 PolarHBondContact O-N 3.46Å; S321-K323 PolarHBondContact O-N 2.81Å
322	G	33.1	Very low	34.6	Very low	53 Å²	53	123.3 Å²	123.3	55%	0.546	75%	0.747	S	S	.	*			trans	-67	93.7	175.9	0	0	0	0	0	112.5	Y320 T324	Y320-G322 PolarHBondContact O-N 3.44Å; Y320-G322 VanDerWaalsContact O-N 3.1Å; G322-T324 VanDerWaalsContact C-N 3.28Å; G322-T324 PolarHBondContact O-N 2.76Å
323	K	31.4	Very low	34.9	Very low	184 Å²	184	124.6 Å²	124.6	80%	0.8	73%	0.733	S	S	*	*			trans	-75.2	76	174	-71.9	-176.8	178	176.7	0	111.5	S321 N325	S321-K323 PolarHBondContact O-N 2.81Å; K323-N325 VanDerWaalsContact C-N 3.26Å; K323-N325 PolarHBondContact O-N 2.98Å
324	T	35.6	Very low	35.1	Very low	93 Å²	93	125.3 Å²	125.3	57%	0.571	72%	0.721	S	S	*	*			trans	-75.9	67.8	-177.5	46.6	0	0	0	0	113	G322 Y326	G322-T324 VanDerWaalsContact C-N 3.28Å; G322-T324 PolarHBondContact O-N 2.76Å; T324-Y326 HydrophobicContact CG2-CD2 4.12Å; T324-Y326 HydrophobicContact CG2-CE2 3.43Å; T324-Y326 VanDerWaalsContact CG2-CE2 3.43Å; T324-Y326 PolarHBondContact O-N 3.05Å
325	N	30.4	Very low	35.4	Very low	159 Å²	159	128 Å²	128	85%	0.85	72%	0.721	S	S	*	*			trans	-71.4	60	168.5	-84.6	-6.2	0	0	0	111.5	K323 S327	K323-N325 VanDerWaalsContact C-N 3.26Å; K323-N325 PolarHBondContact O-N 2.98Å; N325-S327 PolarHBondContact O-N 3.11Å
326	Y	37.3	Very low	35.8	Very low	201 Å²	201	125.6 Å²	125.6	79%	0.788	71%	0.705	S	S	*	*			trans	-77.2	106.7	177.2	-66.9	-54.8	0	0	0	111.1	T324	T324-Y326 HydrophobicContact CG2-CD2 4.12Å; T324-Y326 HydrophobicContact CG2-CE2 3.43Å; T324-Y326 VanDerWaalsContact CG2-CE2 3.43Å; T324-Y326 PolarHBondContact O-N 3.05Å
327	S	31.4	Very low	36.6	Very low	112 Å²	112	118.5 Å²	118.5	78%	0.783	67%	0.672	S	S	*	*			trans	-71.4	133.5	168.9	-166.4	0	0	0	0	109.8	N325 G329	N325-S327 PolarHBondContact O-N 3.11Å; S327-G329 PolarHBondContact O-N 2.81Å; S327-G329 VanDerWaalsContact O-N 3.1Å
328	A	30.1	Very low	37.1	Very low	108 Å²	108	116 Å²	116	89%	0.893	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	105.9	-177	0	0	0	0	0	110.9
329	G	35.5	Very low	37.8	Very low	74 Å²	74	115 Å²	115	76%	0.763	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	152.2	-5.8	170.7	0	0	0	0	0	118.6	S327	S327-G329 PolarHBondContact O-N 2.81Å; S327-G329 VanDerWaalsContact O-N 3.1Å
330	S	35.1	Very low	38.6	Very low	68 Å²	68	116.6 Å²	116.6	48%	0.476	64%	0.642	S	S	.	*			trans	-72.2	133.7	178.7	-154.7	0	0	0	0	111.7	D332 Y333	S330-D332 WeakPolarHBondContact CB-OD2 3.22Å; S330-D332 PolarHBondContact O-N 3.16Å; S330-D332 VanDerWaalsContact O-N 3.16Å; S330-D332 PolarHBondContact OG-OD2 2.93Å; S330-Y333 VanDerWaalsContact O-CD1 3.31Å; S330-Y333 WeakPolarHBondContact O-CD1 3.5Å
331	P	42.6	Very low	39.1	Very low	106 Å²	106	109.8 Å²	109.8	69%	0.688	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-21.7	-178.3	-27.7	36.7	0	0	0	116.5	Y333	P331-Y333 WeakPolarHBondContact O-CD1 3.26Å; P331-Y333 PolarHBondContact O-N 2.82Å; P331-Y333 VanDerWaalsContact O-N 3.09Å
332	D	39.1	Very low	39.8	Very low	104 Å²	104	110.9 Å²	110.9	56%	0.556	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-21.9	-174.3	-42.3	-73.7	0	0	0	113.6	S330 K334 E335 T336	S330-D332 WeakPolarHBondContact CB-OD2 3.22Å; S330-D332 PolarHBondContact O-N 3.16Å; S330-D332 VanDerWaalsContact O-N 3.16Å; S330-D332 PolarHBondContact OG-OD2 2.93Å; D332-K334 PolarHBondContact O-N 2.84Å; D332-E335 PolarHBondContact O-N 2.86Å; D332-E335 VanDerWaalsContact O-N 3.1Å; D332-T336 PolarHBondContact O-N 2.98Å; D332-T336 PolarHBondContact O-OG1 2.89Å
333	Y	43.7	Very low	40.8	Very low	117 Å²	117	110.7 Å²	110.7	46%	0.459	62%	0.621	S	S	.	*	H	α-helix	trans	-49.1	-33.5	-175.8	79	-77.5	0	0	0	114.3	S330 P331 M337	S330-Y333 VanDerWaalsContact O-CD1 3.31Å; S330-Y333 WeakPolarHBondContact O-CD1 3.5Å; P331-Y333 WeakPolarHBondContact O-CD1 3.26Å; P331-Y333 PolarHBondContact O-N 2.82Å; P331-Y333 VanDerWaalsContact O-N 3.09Å; Y333-M337 WeakPolarHBondContact O-CB 3.41Å; Y333-M337 WeakPolarHBondContact O-CG 3.19Å; Y333-M337 PolarHBondContact O-N 2.86Å; Y333-M337 VanDerWaalsContact O-N 3.16Å
334	K	44.4	Very low	42.3	Very low	139 Å²	139	110.3 Å²	110.3	60%	0.604	63%	0.627	S	S	*	*	H	α-helix	trans	-79.2	-29	-172.4	-158.3	-179	-177.8	-170.2	0	113	D332 S338	D332-K334 PolarHBondContact O-N 2.84Å; K334-S338 PolarHBondContact O-OG 3.49Å
335	E	41.6	Very low	44.2	Very low	166 Å²	166	106.6 Å²	106.6	78%	0.776	61%	0.605	S	S	*	*	H	α-helix	trans	-80.4	-47.8	180	-149.2	153.4	-127.8	0	0	109.3	D332 M337 S338 E339	D332-E335 PolarHBondContact O-N 2.86Å; D332-E335 VanDerWaalsContact O-N 3.1Å; E335-M337 PolarHBondContact O-N 2.96Å; E335-S338 WeakPolarHBondContact O-CB 3.44Å; E335-S338 PolarHBondContact O-N 3.08Å; E335-S338 VanDerWaalsContact O-N 3.08Å; E335-E339 PolarHBondContact O-N 3.19Å
336	T	47	Very low	47	Very low	71 Å²	71	105.1 Å²	105.1	44%	0.436	59%	0.587	S	S	.	*	H	α-helix	trans	-60.9	-39.8	175.5	-35.3	0	0	0	0	112.7	D332 S338 E339 F340	D332-T336 PolarHBondContact O-N 2.98Å; D332-T336 PolarHBondContact O-OG1 2.89Å; T336-S338 VanDerWaalsContact C-N 3.25Å; T336-S338 PolarHBondContact O-N 2.95Å; T336-E339 PolarHBondContact O-N 3.07Å; T336-E339 VanDerWaalsContact O-N 3.16Å; T336-F340 HydrophobicContact CG2-CD2 4.27Å; T336-F340 HydrophobicContact CG2-CE2 4.08Å; T336-F340 WeakPolarHBondContact O-CD2 3.48Å; T336-F340 PolarHBondContact O-N 2.76Å
337	M	49.7	Very low	49.6	Very low	31 Å²	31	100.5 Å²	100.5	15%	0.153	57%	0.572	C	S	.	*	H	α-helix	trans	-65.4	-26.8	176.5	-85	-170.9	153.7	0	0	113.7	Y333 E335 E339 F340 F401 Y422 I424	Y333-M337 WeakPolarHBondContact O-CB 3.41Å; Y333-M337 WeakPolarHBondContact O-CG 3.19Å; Y333-M337 PolarHBondContact O-N 2.86Å; Y333-M337 VanDerWaalsContact O-N 3.16Å; E335-M337 PolarHBondContact O-N 2.96Å; M337-E339 VanDerWaalsContact C-N 3.26Å; M337-E339 PolarHBondContact O-N 3Å; M337-F340 PolarHBondContact O-N 3.11Å; M337-F401 HydrophobicContact CE-CE1 4.35Å; M337-Y422 PolarHBondContact O-OH 3.1Å; M337-I424 HydrophobicContact SD-CD1 3.5Å; M337-I424 VanDerWaalsContact SD-CD1 3.5Å
338	S	47.2	Very low	52.7	Low	91 Å²	91	95.3 Å²	95.3	64%	0.636	54%	0.535	S	S	*	.	H	α-helix	trans	-71.1	-26.7	176.1	-57	0	0	0	0	111.7	K334 E335 T336	K334-S338 PolarHBondContact O-OG 3.49Å; E335-S338 WeakPolarHBondContact O-CB 3.44Å; E335-S338 PolarHBondContact O-N 3.08Å; E335-S338 VanDerWaalsContact O-N 3.08Å; T336-S338 VanDerWaalsContact C-N 3.25Å; T336-S338 PolarHBondContact O-N 2.95Å
339	E	45	Very low	55.8	Low	159 Å²	159	93.3 Å²	93.3	74%	0.743	51%	0.512	S	S	*	.	H	α-helix	trans	-82.8	-16.8	174.6	-161	169.2	-152.9	0	0	112.8	E335 T336 M337 S341	E335-E339 PolarHBondContact O-N 3.19Å; T336-E339 PolarHBondContact O-N 3.07Å; T336-E339 VanDerWaalsContact O-N 3.16Å; M337-E339 VanDerWaalsContact C-N 3.26Å; M337-E339 PolarHBondContact O-N 3Å; E339-S341 PolarHBondContact O-N 3.5Å
340	F	47.3	Very low	58.6	Low	91 Å²	91	93.1 Å²	93.1	40%	0.399	49%	0.488	S	S	.	.			trans	-74.5	27.8	178.4	-99.3	-71.7	0	0	0	115	T336 M337 M342	T336-F340 HydrophobicContact CG2-CD2 4.27Å; T336-F340 HydrophobicContact CG2-CE2 4.08Å; T336-F340 WeakPolarHBondContact O-CD2 3.48Å; T336-F340 PolarHBondContact O-N 2.76Å; M337-F340 PolarHBondContact O-N 3.11Å; F340-M342 HydrophobicContact CD1-SD 4.38Å; F340-M342 HydrophobicContact CE1-SD 4.41Å; F340-M342 PolarHBondContact O-N 2.9Å
341	S	42.6	Very low	61.6	Low	81 Å²	81	96 Å²	96	57%	0.566	49%	0.494	S	S	*	.			trans	-75.9	57.2	170.9	-63.4	0	0	0	0	111.7	E339	E339-S341 PolarHBondContact O-N 3.5Å
342	M	45.5	Very low	64.1	Low	121 Å²	121	93.6 Å²	93.6	60%	0.596	47%	0.474	S	S	*	.			trans	-95.4	93	177.6	-65.9	-176	-175.8	0	0	109.9	F340	F340-M342 HydrophobicContact CD1-SD 4.38Å; F340-M342 HydrophobicContact CE1-SD 4.41Å; F340-M342 PolarHBondContact O-N 2.9Å
343	G	53.9	Low	66.9	Low	48 Å²	48	88.7 Å²	88.7	50%	0.495	45%	0.448	S	S	.	.	S	Bend	trans	118.8	176.9	-177.1	0	0	0	0	0	112.4	C345	G343-C345 PolarHBondContact O-N 3.47Å
344	N	63.7	Low	69.4	Low	176 Å²	176	87 Å²	87	94%	0.941	44%	0.444	S	S	*	.	S	Bend	trans	-72.9	21.9	-178.2	-69.9	-13.2	0	0	0	113.9	R346	N344-R346 PolarHBondContact O-N 2.82Å
345	C	76.3	Confident	71.9	Confident	15 Å²	15	86.3 Å²	86.3	10%	0.101	44%	0.443	C	S	.	.			trans	-86.1	112.4	-170.8	-162	0	0	0	0	110.7	G343 L419 G421	G343-C345 PolarHBondContact O-N 3.47Å; C345-L419 WeakPolarHBondContact SG-CD2 3.25Å; C345-G421 VanDerWaalsContact SG-CA 3.59Å
346	R	88.7	Confident	74.6	Confident	128 Å²	128	80 Å²	80	48%	0.483	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	136.4	-175.7	170	170.6	169.5	177.4	-2.8	112.6	N344 F348 E352 V420 G421 Y422	N344-R346 PolarHBondContact O-N 2.82Å; R346-F348 HydrophobicContact CB-CD2 4.37Å; R346-F348 HydrophobicContact CB-CE2 3.89Å; R346-F348 HydrophobicContact CB-CZ 4.31Å; R346-F348 HydrophobicContact CG-CD2 4.03Å; R346-F348 HydrophobicContact CG-CE1 4.32Å; R346-F348 HydrophobicContact CG-CE2 3.81Å; R346-F348 HydrophobicContact CG-CG 4.4Å; R346-F348 HydrophobicContact CG-CZ 3.97Å; R346-F348 WeakPolarHBondContact O-CD2 3.33Å; R346-E352 IonicContact CZ-OE1 3.38Å; R346-E352 IonicContact NH2-OE1 2.74Å; R346-E352 PolarHBondContact NH2-OE1 3.03Å; R346-V420 PolarHBondContact N-O 3.04Å; R346-G421 CarbonylContact O-C 3.59Å; R346-G421 WeakPolarHBondContact O-CA 3.28Å; R346-Y422 PolarHBondContact O-N 2.96Å
347	F	92.2	Very high	77	Confident	105 Å²	105	76.7 Å²	76.7	46%	0.461	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.9	161.3	-172.2	-90	0	0	0	110.4	Y422 I424	F347-Y422 HydrophobicContact CD2-CD2 4.14Å; F347-Y422 AromaticContact CD2-CE2 3.69Å; F347-Y422 HydrophobicContact CD2-CE2 3.69Å; F347-Y422 HydrophobicContact CE2-CE2 4.21Å; F347-I424 HydrophobicContact CE2-CB 4.31Å
348	F	94.7	Very high	79.2	Confident	3 Å²	3	80 Å²	80	1%	0.013	41%	0.412	C	S	.	.			trans	-114.8	142	173.2	-71.2	-87.2	0	0	0	110.7	R346 E352 L353 L379 V420 Y422 C423 V432	R346-F348 HydrophobicContact CB-CD2 4.37Å; R346-F348 HydrophobicContact CB-CE2 3.89Å; R346-F348 HydrophobicContact CB-CZ 4.31Å; R346-F348 HydrophobicContact CG-CD2 4.03Å; R346-F348 HydrophobicContact CG-CE1 4.32Å; R346-F348 HydrophobicContact CG-CE2 3.81Å; R346-F348 HydrophobicContact CG-CG 4.4Å; R346-F348 HydrophobicContact CG-CZ 3.97Å; R346-F348 WeakPolarHBondContact O-CD2 3.33Å; F348-E352 HydrophobicContact CD1-CB 4.42Å; F348-L353 HydrophobicContact CB-CD1 4.26Å; F348-L353 HydrophobicContact CB-CD2 3.75Å; F348-L353 HydrophobicContact CB-CG 3.88Å; F348-L353 HydrophobicContact CD1-CD2 4.06Å; F348-L353 HydrophobicContact CD2-CD2 4.42Å; F348-L353 HydrophobicContact CG-CD2 3.85Å; F348-L379 HydrophobicContact CE1-CD2 3.65Å; F348-L379 HydrophobicContact CZ-CD1 4.37Å; F348-L379 HydrophobicContact CZ-CD2 3.86Å; F348-V420 HydrophobicContact CE2-CG1 4.36Å; F348-V420 HydrophobicContact CZ-CG1 4.38Å; F348-Y422 PolarHBondContact N-O 2.98Å; F348-C423 HydrophobicContact CB-CB 4.49Å; F348-C423 WeakPolarHBondContact O-CA 3.35Å; F348-C423 WeakPolarHBondContact O-CB 3.4Å; F348-C423 PolarHBondContact O-SG 3.32Å; F348-V432 HydrophobicContact CD2-CB 4.44Å; F348-V432 HydrophobicContact CD2-CG2 3.88Å; F348-V432 HydrophobicContact CE2-CB 4.23Å; F348-V432 HydrophobicContact CE2-CG1 4.28Å; F348-V432 HydrophobicContact CE2-CG2 4.13Å
349	T	95.5	Very high	81.6	Confident	65 Å²	65	77.2 Å²	77.2	40%	0.399	40%	0.398	S	S	.	.			trans	-73	156.3	167.3	65.4	0	0	0	0	111	E351 E352 L353 C423	T349-E351 PolarHBondContact O-N 2.88Å; T349-E352 VanDerWaalsContact CB-OE2 3.29Å; T349-E352 WeakPolarHBondContact CB-OE2 3.36Å; T349-E352 WeakPolarHBondContact CG2-OE2 3.48Å; T349-E352 PolarHBondContact N-OE2 3.49Å; T349-E352 PolarHBondContact O-N 3.27Å; T349-E352 VanDerWaalsContact OG1-CG 3.29Å; T349-E352 WeakPolarHBondContact OG1-CG 3.45Å; T349-E352 PolarHBondContact OG1-N 3.23Å; T349-E352 VanDerWaalsContact OG1-N 3.13Å; T349-E352 PolarHBondContact OG1-OE2 2.96Å; T349-L353 PolarHBondContact O-N 3.31Å; T349-C423 VanDerWaalsContact C-SG 3.59Å
350	Y	96	Very high	84	Confident	70 Å²	70	70.7 Å²	70.7	28%	0.275	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-31.4	174.4	-176	-90.4	0	0	0	111.6	L353 H354 F360 K389 C423 Q428 L430	Y350-L353 PolarHBondContact O-N 2.79Å; Y350-H354 HydrophobicContact CD1-CB 4.48Å; Y350-H354 HydrophobicContact CE1-CB 4.34Å; Y350-H354 WeakPolarHBondContact O-CB 3.41Å; Y350-H354 PolarHBondContact O-N 3.47Å; Y350-F360 HydrophobicContact CE1-CE2 4.32Å; Y350-F360 HydrophobicContact CE2-CE2 4.1Å; Y350-F360 HydrophobicContact CE2-CZ 4.25Å; Y350-F360 AromaticContact CZ-CE2 3.73Å; Y350-K389 PolarHBondContact OH-NZ 3.03Å; Y350-C423 PolarHBondContact N-SG 2.94Å; Y350-C423 VanDerWaalsContact N-SG 3.36Å; Y350-Q428 HydrophobicContact CD2-CB 4.35Å; Y350-Q428 HydrophobicContact CD2-CG 4.3Å; Y350-Q428 HydrophobicContact CE2-CB 4.37Å; Y350-Q428 HydrophobicContact CE2-CG 4.02Å; Y350-L430 HydrophobicContact CD2-CD1 3.91Å; Y350-L430 HydrophobicContact CE2-CD1 4.22Å
351	E	96.3	Very high	86.4	Confident	129 Å²	129	67.6 Å²	67.6	60%	0.603	36%	0.358	S	S	*	.	H	α-helix	trans	-68.1	-45.7	178.6	-171.1	175.6	169.9	0	0	111.9	T349 L353 H354 Q355	T349-E351 PolarHBondContact O-N 2.88Å; E351-L353 VanDerWaalsContact C-N 3.34Å; E351-L353 PolarHBondContact O-N 3.06Å; E351-H354 PolarHBondContact O-N 3.11Å; E351-Q355 HydrophobicContact CG-CG 4.41Å; E351-Q355 WeakPolarHBondContact O-CB 3.27Å; E351-Q355 VanDerWaalsContact O-CG 3.31Å; E351-Q355 WeakPolarHBondContact O-CG 3.24Å; E351-Q355 PolarHBondContact O-N 2.96Å; E351-Q355 PolarHBondContact OE1-NE2 3.42Å
352	E	96.3	Very high	89	Confident	56 Å²	56	68 Å²	68	26%	0.262	37%	0.366	S	S	.	.	H	α-helix	trans	-55.8	-48.4	172.3	-73.7	161.9	107	0	0	111.2	R346 F348 T349 H354 Q355 I356	R346-E352 IonicContact CZ-OE1 3.38Å; R346-E352 IonicContact NH2-OE1 2.74Å; R346-E352 PolarHBondContact NH2-OE1 3.03Å; F348-E352 HydrophobicContact CD1-CB 4.42Å; T349-E352 VanDerWaalsContact CB-OE2 3.29Å; T349-E352 WeakPolarHBondContact CB-OE2 3.36Å; T349-E352 WeakPolarHBondContact CG2-OE2 3.48Å; T349-E352 PolarHBondContact N-OE2 3.49Å; T349-E352 PolarHBondContact O-N 3.27Å; T349-E352 VanDerWaalsContact OG1-CG 3.29Å; T349-E352 WeakPolarHBondContact OG1-CG 3.45Å; T349-E352 PolarHBondContact OG1-N 3.23Å; T349-E352 VanDerWaalsContact OG1-N 3.13Å; T349-E352 PolarHBondContact OG1-OE2 2.96Å; E352-H354 VanDerWaalsContact C-N 3.31Å; E352-H354 PolarHBondContact O-N 3.42Å; E352-Q355 PolarHBondContact O-N 3.38Å; E352-I356 WeakPolarHBondContact O-CG2 3.3Å; E352-I356 PolarHBondContact O-N 3.06Å
353	L	97.2	Very high	91.4	Very high	0 Å²	0	70 Å²	70	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-65.8	-34	179.9	-62.1	-168.2	0	0	0	112.8	F348 T349 Y350 E351 I356 T357 F360 V387 C423 L430 V432	F348-L353 HydrophobicContact CB-CD1 4.26Å; F348-L353 HydrophobicContact CB-CD2 3.75Å; F348-L353 HydrophobicContact CB-CG 3.88Å; F348-L353 HydrophobicContact CD1-CD2 4.06Å; F348-L353 HydrophobicContact CD2-CD2 4.42Å; F348-L353 HydrophobicContact CG-CD2 3.85Å; T349-L353 PolarHBondContact O-N 3.31Å; Y350-L353 PolarHBondContact O-N 2.79Å; E351-L353 VanDerWaalsContact C-N 3.34Å; E351-L353 PolarHBondContact O-N 3.06Å; L353-I356 HydrophobicContact CD2-CD1 3.75Å; L353-T357 WeakPolarHBondContact O-CB 3.48Å; L353-T357 VanDerWaalsContact O-CG2 3.29Å; L353-T357 WeakPolarHBondContact O-CG2 3.12Å; L353-T357 PolarHBondContact O-N 2.96Å; L353-T357 PolarHBondContact O-OG1 2.97Å; L353-F360 HydrophobicContact CB-CZ 4.35Å; L353-V387 HydrophobicContact CB-CG1 4.49Å; L353-V387 HydrophobicContact CD1-CG1 4.15Å; L353-V387 HydrophobicContact CD2-CG2 4.49Å; L353-C423 HydrophobicContact CD1-CB 3.41Å; L353-C423 VanDerWaalsContact CD1-CB 3.41Å; L353-C423 HydrophobicContact CG-CB 4.35Å; L353-L430 HydrophobicContact CD1-CB 3.69Å; L353-L430 HydrophobicContact CD1-CD2 4.01Å; L353-L430 HydrophobicContact CD1-CG 4.29Å; L353-V432 HydrophobicContact CD1-CG2 4.01Å; L353-V432 HydrophobicContact CD2-CG2 3.61Å; L353-V432 HydrophobicContact CG-CG2 4.5Å
354	H	97	Very high	93.4	Very high	83 Å²	83	69.3 Å²	69.3	38%	0.384	36%	0.357	S	S	.	.	H	α-helix	trans	-67.9	-40.7	172.7	-177.4	-85.7	0	0	0	111.5	Y350 E351 E352 T357 N358 G359 F360	Y350-H354 HydrophobicContact CD1-CB 4.48Å; Y350-H354 HydrophobicContact CE1-CB 4.34Å; Y350-H354 WeakPolarHBondContact O-CB 3.41Å; Y350-H354 PolarHBondContact O-N 3.47Å; E351-H354 PolarHBondContact O-N 3.11Å; E352-H354 VanDerWaalsContact C-N 3.31Å; E352-H354 PolarHBondContact O-N 3.42Å; H354-T357 PolarHBondContact O-OG1 3.32Å; H354-N358 PolarHBondContact O-N 3.38Å; H354-G359 WeakPolarHBondContact O-CA 3.37Å; H354-G359 PolarHBondContact O-N 2.88Å; H354-F360 HydrophobicContact CB-CE2 3.97Å; H354-F360 AromaticContact CD2-CD2 3.96Å; H354-F360 AromaticContact CD2-CE2 3.89Å
355	Q	97.4	Very high	95	Very high	124 Å²	124	64.3 Å²	64.3	58%	0.579	33%	0.33	S	S	*	.	H	α-helix	trans	-66.3	-53.3	177.5	-71.2	177.8	14.9	0	0	111.4	E351 E352 T357 N358	E351-Q355 HydrophobicContact CG-CG 4.41Å; E351-Q355 WeakPolarHBondContact O-CB 3.27Å; E351-Q355 VanDerWaalsContact O-CG 3.31Å; E351-Q355 WeakPolarHBondContact O-CG 3.24Å; E351-Q355 PolarHBondContact O-N 2.96Å; E351-Q355 PolarHBondContact OE1-NE2 3.42Å; E352-Q355 PolarHBondContact O-N 3.38Å; Q355-T357 PolarHBondContact O-N 3.31Å; Q355-N358 PolarHBondContact O-N 2.88Å
356	I	97.2	Very high	95.9	Very high	34 Å²	34	67.5 Å²	67.5	17%	0.174	35%	0.345	C	S	.	.	H	α-helix	trans	-65.1	-25.6	-176	70.5	-179.3	0	0	0	113.6	E352 L353 G377 C378 L379 V385 V387	E352-I356 WeakPolarHBondContact O-CG2 3.3Å; E352-I356 PolarHBondContact O-N 3.06Å; L353-I356 HydrophobicContact CD2-CD1 3.75Å; I356-G377 WeakPolarHBondContact O-CA 3.31Å; I356-C378 VanDerWaalsContact CB-O 3.26Å; I356-C378 WeakPolarHBondContact CB-O 3.47Å; I356-C378 WeakPolarHBondContact CG2-O 3.49Å; I356-C378 PolarHBondContact O-N 3.35Å; I356-L379 HydrophobicContact CD1-CD2 3.72Å; I356-L379 HydrophobicContact CG2-CD2 4.45Å; I356-V385 HydrophobicContact CD1-CG2 3.95Å; I356-V387 HydrophobicContact CD1-CG2 4.12Å
357	T	97.7	Very high	96	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	5.5	176	60.8	0	0	0	0	113.5	L353 H354 Q355 F360 A361 N364 V387	L353-T357 WeakPolarHBondContact O-CB 3.48Å; L353-T357 VanDerWaalsContact O-CG2 3.29Å; L353-T357 WeakPolarHBondContact O-CG2 3.12Å; L353-T357 PolarHBondContact O-N 2.96Å; L353-T357 PolarHBondContact O-OG1 2.97Å; H354-T357 PolarHBondContact O-OG1 3.32Å; Q355-T357 PolarHBondContact O-N 3.31Å; T357-F360 HydrophobicContact CG2-CD1 4.09Å; T357-F360 HydrophobicContact CG2-CE1 4.12Å; T357-F360 PolarHBondContact O-N 3.47Å; T357-F360 WeakPolarHBondContact OG1-CD1 3.44Å; T357-F360 PolarHBondContact OG1-N 3.4Å; T357-F360 VanDerWaalsContact OG1-N 3.1Å; T357-A361 PolarHBondContact O-N 2.83Å; T357-N364 PolarHBondContact O-ND2 3.37Å; T357-V387 HydrophobicContact CG2-CB 3.89Å; T357-V387 HydrophobicContact CG2-CG1 4.31Å; T357-V387 HydrophobicContact CG2-CG2 3.77Å
358	N	96.8	Very high	95.8	Very high	100 Å²	100	63.8 Å²	63.8	54%	0.535	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	53	-174.3	-170.4	103.1	0	0	0	111.4	H354 Q355 A361	H354-N358 PolarHBondContact O-N 3.38Å; Q355-N358 PolarHBondContact O-N 2.88Å; N358-A361 VanDerWaalsContact O-CB 3.25Å; N358-A361 WeakPolarHBondContact O-CB 3.34Å; N358-A361 PolarHBondContact O-N 3.38Å
359	G	96.3	Very high	95.1	Very high	34 Å²	34	65.5 Å²	65.5	35%	0.351	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	32	-179.2	0	0	0	0	0	114.4	H354 A361	H354-G359 WeakPolarHBondContact O-CA 3.37Å; H354-G359 PolarHBondContact O-N 2.88Å; G359-A361 PolarHBondContact O-N 2.93Å
360	F	96.4	Very high	94.1	Very high	22 Å²	22	65.7 Å²	65.7	10%	0.096	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	39	-171.1	-51.9	-80.7	0	0	0	112.7	Y350 L353 H354 T357 Y375 V387 K389 L430	Y350-F360 HydrophobicContact CE1-CE2 4.32Å; Y350-F360 HydrophobicContact CE2-CE2 4.1Å; Y350-F360 HydrophobicContact CE2-CZ 4.25Å; Y350-F360 AromaticContact CZ-CE2 3.73Å; L353-F360 HydrophobicContact CB-CZ 4.35Å; H354-F360 HydrophobicContact CB-CE2 3.97Å; H354-F360 AromaticContact CD2-CD2 3.96Å; H354-F360 AromaticContact CD2-CE2 3.89Å; T357-F360 HydrophobicContact CG2-CD1 4.09Å; T357-F360 HydrophobicContact CG2-CE1 4.12Å; T357-F360 PolarHBondContact O-N 3.47Å; T357-F360 WeakPolarHBondContact OG1-CD1 3.44Å; T357-F360 PolarHBondContact OG1-N 3.4Å; T357-F360 VanDerWaalsContact OG1-N 3.1Å; F360-Y375 HydrophobicContact CB-CD1 4.13Å; F360-Y375 HydrophobicContact CB-CD2 4.41Å; F360-Y375 HydrophobicContact CB-CE1 3.92Å; F360-Y375 HydrophobicContact CB-CE2 4.22Å; F360-Y375 HydrophobicContact CB-CG 4.38Å; F360-Y375 AromaticContact CD1-CD2 3.75Å; F360-Y375 HydrophobicContact CD1-CD2 3.75Å; F360-Y375 HydrophobicContact CD1-CE2 4.07Å; F360-Y375 HydrophobicContact CD1-CG 4.09Å; F360-Y375 WeakPolarHBondContact O-CE1 3.31Å; F360-V387 HydrophobicContact CE1-CG1 4.21Å; F360-K389 HydrophobicContact CD1-CD 4.45Å; F360-K389 HydrophobicContact CE1-CD 4.41Å; F360-L430 HydrophobicContact CE1-CD2 3.62Å; F360-L430 HydrophobicContact CZ-CD2 3.6Å
361	A	97	Very high	93.2	Very high	25 Å²	25	64.4 Å²	64.4	21%	0.207	37%	0.373	C	S	.	.			trans	-61.8	141.8	-175.3	0	0	0	0	0	112.4	T357 N358 G359 K363 N364	T357-A361 PolarHBondContact O-N 2.83Å; N358-A361 VanDerWaalsContact O-CB 3.25Å; N358-A361 WeakPolarHBondContact O-CB 3.34Å; N358-A361 PolarHBondContact O-N 3.38Å; G359-A361 PolarHBondContact O-N 2.93Å; A361-K363 HydrophobicContact CB-CG 4.04Å; A361-K363 PolarHBondContact O-N 2.83Å; A361-K363 VanDerWaalsContact O-N 3.08Å; A361-N364 WeakPolarHBondContact O-CA 3.32Å; A361-N364 WeakPolarHBondContact O-CB 3.35Å; A361-N364 PolarHBondContact O-N 3.33Å
362	A	96.2	Very high	92.8	Very high	89 Å²	89	58.6 Å²	58.6	74%	0.736	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-56.4	-29.9	-177	0	0	0	0	0	114.2	N364 L365	A362-N364 PolarHBondContact O-N 3.24Å; A362-L365 VanDerWaalsContact O-CB 3.31Å; A362-L365 WeakPolarHBondContact O-CB 3.35Å; A362-L365 PolarHBondContact O-N 3.48Å; A362-L365 VanDerWaalsContact O-N 3.09Å
363	K	96.9	Very high	92.6	Very high	163 Å²	163	56.6 Å²	56.6	71%	0.709	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-61.6	-19.3	173.4	62.9	161.8	-171.9	176.1	0	114.4	A361	A361-K363 HydrophobicContact CB-CG 4.04Å; A361-K363 PolarHBondContact O-N 2.83Å; A361-K363 VanDerWaalsContact O-N 3.08Å
364	N	96.7	Very high	92.6	Very high	34 Å²	34	58.6 Å²	58.6	18%	0.182	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-101.9	-1.3	179.2	-66.6	-8.5	0	0	0	111.7	T357 A361 A362 L366 Y375 K376	T357-N364 PolarHBondContact O-ND2 3.37Å; A361-N364 WeakPolarHBondContact O-CA 3.32Å; A361-N364 WeakPolarHBondContact O-CB 3.35Å; A361-N364 PolarHBondContact O-N 3.33Å; A362-N364 PolarHBondContact O-N 3.24Å; N364-L366 PolarHBondContact O-N 2.74Å; N364-Y375 CarbonylContact O-C 3.55Å; N364-Y375 VanDerWaalsContact O-CA 3.26Å; N364-Y375 WeakPolarHBondContact O-CA 2.96Å; N364-K376 PolarHBondContact O-N 2.92Å
365	L	96.6	Very high	92.6	Very high	72 Å²	72	56.2 Å²	56.2	38%	0.377	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	113.6	178.5	-177.9	70.4	0	0	0	109.7	A362 G367 Y375	A362-L365 VanDerWaalsContact O-CB 3.31Å; A362-L365 WeakPolarHBondContact O-CB 3.35Å; A362-L365 PolarHBondContact O-N 3.48Å; A362-L365 VanDerWaalsContact O-N 3.09Å; L365-G367 WeakPolarHBondContact CD1-O 3.41Å; L365-Y375 HydrophobicContact CB-CD1 4.31Å; L365-Y375 HydrophobicContact CB-CE1 4.17Å; L365-Y375 HydrophobicContact CD1-CD1 4.24Å; L365-Y375 HydrophobicContact CD1-CE1 3.78Å; L365-Y375 HydrophobicContact CD1-CE2 4.42Å
366	L	94.3	Very high	92.7	Very high	82 Å²	82	52.9 Å²	52.9	43%	0.429	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-30	174.9	-64.2	172.6	0	0	0	111.5	N364 V374 K376 A386 F435	N364-L366 PolarHBondContact O-N 2.74Å; L366-V374 HydrophobicContact CB-CB 4.48Å; L366-V374 HydrophobicContact CB-CG1 4.46Å; L366-V374 HydrophobicContact CD1-CG1 4.27Å; L366-V374 PolarHBondContact N-O 3.09Å; L366-K376 HydrophobicContact CD1-CB 4.02Å; L366-K376 HydrophobicContact CD2-CB 4.13Å; L366-K376 HydrophobicContact CG-CB 4.07Å; L366-A386 HydrophobicContact CD1-CB 4.27Å; L366-F435 HydrophobicContact CD1-CD2 3.86Å; L366-F435 HydrophobicContact CD1-CE2 3.67Å; L366-F435 HydrophobicContact CD2-CE2 3.8Å; L366-F435 HydrophobicContact CD2-CZ 4.44Å; L366-F435 HydrophobicContact CG-CE2 4.41Å
367	G	90.6	Very high	92.7	Very high	32 Å²	32	51.4 Å²	51.4	33%	0.33	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	175.4	165	174.7	0	0	0	0	0	113.3	L365 S373 V374	L365-G367 WeakPolarHBondContact CD1-O 3.41Å; G367-S373 CarbonylContact O-C 3.47Å; G367-S373 WeakPolarHBondContact O-CA 3.49Å; G367-V374 PolarHBondContact N-O 3.42Å; G367-V374 PolarHBondContact O-N 2.82Å
368	E	89.4	Confident	92.7	Very high	122 Å²	122	54.3 Å²	54.3	57%	0.57	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.9	172.8	180	169	148.1	0	0	110.7	S373 K391	E368-S373 VanDerWaalsContact CD-OG 3.27Å; E368-S373 WeakPolarHBondContact CG-OG 3.26Å; E368-S373 PolarHBondContact OE2-OG 3.46Å; E368-K391 VanDerWaalsContact OE1-CE 3.3Å; E368-K391 WeakPolarHBondContact OE1-CE 3.21Å; E368-K391 IonicContact OE1-NZ 2.8Å; E368-K391 PolarHBondContact OE1-NZ 2.97Å
369	G	79.2	Confident	92.6	Very high	39 Å²	39	50.4 Å²	50.4	40%	0.402	32%	0.315	S	S	.	.			trans	-141.9	-162.4	178.4	0	0	0	0	0	112.8	F371 G372 K391	G369-F371 VanDerWaalsContact C-N 3.29Å; G369-F371 PolarHBondContact O-N 3.03Å; G369-G372 PolarHBondContact N-O 3.29Å; G369-K391 PolarHBondContact O-NZ 3.42Å
370	G	74.9	Confident	92.4	Very high	69 Å²	69	54.4 Å²	54.4	71%	0.711	35%	0.345	S	S	*	.	S	Bend	trans	-63.3	-33	177.8	0	0	0	0	0	113.8
371	F	76	Confident	92.3	Very high	44 Å²	44	58 Å²	58	19%	0.193	37%	0.365	C	S	.	.	S	Bend	trans	-84.2	-31.2	-173.3	-48	-51.4	0	0	0	113.6	G369 L390 K391 E400 D502 L505	G369-F371 VanDerWaalsContact C-N 3.29Å; G369-F371 PolarHBondContact O-N 3.03Å; F371-L390 HydrophobicContact CB-CD2 4.47Å; F371-L390 WeakPolarHBondContact O-CA 3.21Å; F371-L390 WeakPolarHBondContact O-CD2 3.38Å; F371-K391 PolarHBondContact O-N 3.1Å; F371-E400 VanDerWaalsContact CD1-CD 3.47Å; F371-E400 VanDerWaalsContact CD1-OE1 3.25Å; F371-E400 WeakPolarHBondContact CD1-OE1 3.11Å; F371-E400 WeakPolarHBondContact CD1-OE2 3.41Å; F371-E400 WeakPolarHBondContact CE1-OE1 3.25Å; F371-D502 WeakPolarHBondContact CD2-OD2 3.26Å; F371-D502 VanDerWaalsContact CE2-OD2 3.23Å; F371-D502 WeakPolarHBondContact CE2-OD2 3.48Å; F371-L505 HydrophobicContact CE1-CD1 4.38Å; F371-L505 HydrophobicContact CE1-CD2 4.45Å; F371-L505 HydrophobicContact CE1-CG 4.43Å; F371-L505 HydrophobicContact CZ-CD1 4.01Å; F371-L505 HydrophobicContact CZ-CG 4.3Å
372	G	87.7	Confident	92.1	Very high	7 Å²	7	59.4 Å²	59.4	7%	0.072	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-173.1	-170.2	0	0	0	0	0	113.7	G369 K389	G369-G372 PolarHBondContact N-O 3.29Å; G372-K389 CarbonylContact C-O 3.54Å; G372-K389 WeakPolarHBondContact CA-O 3.31Å
373	S	93.6	Very high	92.1	Very high	14 Å²	14	60.8 Å²	60.8	10%	0.098	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.8	170.7	-42.2	0	0	0	0	108.3	G367 E368 K389	G367-S373 CarbonylContact O-C 3.47Å; G367-S373 WeakPolarHBondContact O-CA 3.49Å; E368-S373 VanDerWaalsContact CD-OG 3.27Å; E368-S373 WeakPolarHBondContact CG-OG 3.26Å; E368-S373 PolarHBondContact OE2-OG 3.46Å; S373-K389 PolarHBondContact N-O 3.36Å; S373-K389 PolarHBondContact O-N 3.34Å
374	V	96.3	Very high	92.1	Very high	42 Å²	42	57.4 Å²	57.4	26%	0.255	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.6	-176	-171.2	0	0	0	0	109.4	L366 G367 A386 V387 K388	L366-V374 HydrophobicContact CB-CB 4.48Å; L366-V374 HydrophobicContact CB-CG1 4.46Å; L366-V374 HydrophobicContact CD1-CG1 4.27Å; L366-V374 PolarHBondContact N-O 3.09Å; G367-V374 PolarHBondContact N-O 3.42Å; G367-V374 PolarHBondContact O-N 2.82Å; V374-A386 HydrophobicContact CG1-CB 4.03Å; V374-V387 WeakPolarHBondContact CA-O 3.33Å; V374-K388 HydrophobicContact CG2-CB 4.26Å; V374-K388 HydrophobicContact CG2-CG 4.16Å
375	Y	97.9	Very high	92.2	Very high	32 Å²	32	55.8 Å²	55.8	13%	0.125	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.3	-177.8	-60.4	-92.3	0	0	0	111.3	F360 N364 L365 V387 K389	F360-Y375 HydrophobicContact CB-CD1 4.13Å; F360-Y375 HydrophobicContact CB-CD2 4.41Å; F360-Y375 HydrophobicContact CB-CE1 3.92Å; F360-Y375 HydrophobicContact CB-CE2 4.22Å; F360-Y375 HydrophobicContact CB-CG 4.38Å; F360-Y375 AromaticContact CD1-CD2 3.75Å; F360-Y375 HydrophobicContact CD1-CD2 3.75Å; F360-Y375 HydrophobicContact CD1-CE2 4.07Å; F360-Y375 HydrophobicContact CD1-CG 4.09Å; F360-Y375 WeakPolarHBondContact O-CE1 3.31Å; N364-Y375 CarbonylContact O-C 3.55Å; N364-Y375 VanDerWaalsContact O-CA 3.26Å; N364-Y375 WeakPolarHBondContact O-CA 2.96Å; L365-Y375 HydrophobicContact CB-CD1 4.31Å; L365-Y375 HydrophobicContact CB-CE1 4.17Å; L365-Y375 HydrophobicContact CD1-CD1 4.24Å; L365-Y375 HydrophobicContact CD1-CE1 3.78Å; L365-Y375 HydrophobicContact CD1-CE2 4.42Å; Y375-V387 PolarHBondContact N-O 2.83Å; Y375-V387 PolarHBondContact O-N 3.01Å; Y375-K389 HydrophobicContact CE2-CB 4.28Å
376	K	98	Very high	92.2	Very high	54 Å²	54	53 Å²	53	24%	0.235	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	137	166	-160.9	173.5	-172.6	-177.7	0	109.7	N364 L366 E384 F435	N364-K376 PolarHBondContact O-N 2.92Å; L366-K376 HydrophobicContact CD1-CB 4.02Å; L366-K376 HydrophobicContact CD2-CB 4.13Å; L366-K376 HydrophobicContact CG-CB 4.07Å; K376-E384 WeakPolarHBondContact CE-OE1 3.48Å; K376-E384 WeakPolarHBondContact CE-OE2 3.41Å; K376-E384 IonicContact NZ-OE1 2.73Å; K376-E384 PolarHBondContact NZ-OE1 3.19Å; K376-E384 IonicContact NZ-OE2 2.7Å; K376-E384 PolarHBondContact NZ-OE2 2.66Å; K376-F435 HydrophobicContact CD-CD2 4.4Å; K376-F435 HydrophobicContact CD-CE1 4.23Å; K376-F435 HydrophobicContact CD-CE2 4.12Å; K376-F435 HydrophobicContact CD-CZ 4.03Å; K376-F435 VanDerWaalsContact CE-CD1 3.48Å; K376-F435 HydrophobicContact CG-CD2 4.26Å; K376-F435 HydrophobicContact CG-CE2 4.36Å
377	G	97.8	Very high	92.3	Very high	4 Å²	4	49.1 Å²	49.1	4%	0.041	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	167	169.1	0	0	0	0	0	111.5	I356 E384 V385	I356-G377 WeakPolarHBondContact O-CA 3.31Å; G377-E384 WeakPolarHBondContact O-CA 3.24Å; G377-V385 PolarHBondContact N-O 3.09Å; G377-V385 PolarHBondContact O-N 2.66Å
378	C	97.6	Very high	92.6	Very high	61 Å²	61	48.3 Å²	48.3	41%	0.412	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.2	174.1	-172.4	0	0	0	0	109.7	I356 R383	I356-C378 VanDerWaalsContact CB-O 3.26Å; I356-C378 WeakPolarHBondContact CB-O 3.47Å; I356-C378 WeakPolarHBondContact CG2-O 3.49Å; I356-C378 PolarHBondContact O-N 3.35Å; C378-R383 WeakPolarHBondContact CA-O 3.35Å
379	L	95.6	Very high	92.8	Very high	18 Å²	18	44.8 Å²	44.8	9%	0.094	28%	0.283	C	S	.	.			trans	-72	162.8	178	-68.4	-179.3	0	0	0	111.4	F348 I356 D381 G382 R383 V385 V420	F348-L379 HydrophobicContact CE1-CD2 3.65Å; F348-L379 HydrophobicContact CZ-CD1 4.37Å; F348-L379 HydrophobicContact CZ-CD2 3.86Å; I356-L379 HydrophobicContact CD1-CD2 3.72Å; I356-L379 HydrophobicContact CG2-CD2 4.45Å; L379-D381 WeakPolarHBondContact CB-OD1 3.47Å; L379-D381 PolarHBondContact O-N 2.98Å; L379-D381 VanDerWaalsContact O-N 3.14Å; L379-G382 WeakPolarHBondContact O-CA 3.32Å; L379-G382 PolarHBondContact O-N 2.97Å; L379-R383 HydrophobicContact CB-CB 4.34Å; L379-R383 HydrophobicContact CD1-CB 4.37Å; L379-R383 PolarHBondContact N-O 3.15Å; L379-V385 HydrophobicContact CD1-CG1 3.71Å; L379-V385 HydrophobicContact CD2-CG2 4.33Å; L379-V385 HydrophobicContact CG-CG1 3.88Å; L379-V385 HydrophobicContact CG-CG2 4.05Å; L379-V420 HydrophobicContact CD1-CG1 4.3Å
380	A	92.7	Very high	93.3	Very high	117 Å²	117	43.4 Å²	43.4	97%	0.967	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-12.8	-179	0	0	0	0	0	114.6	G382	A380-G382 VanDerWaalsContact C-N 3.31Å
381	D	92.5	Very high	93.6	Very high	99 Å²	99	44.2 Å²	44.2	53%	0.529	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	3.2	169.7	66.8	-17.1	0	0	0	113	L379 R383	L379-D381 WeakPolarHBondContact CB-OD1 3.47Å; L379-D381 PolarHBondContact O-N 2.98Å; L379-D381 VanDerWaalsContact O-N 3.14Å; D381-R383 VanDerWaalsContact C-N 3.34Å; D381-R383 WeakPolarHBondContact OD1-CB 3.49Å; D381-R383 PolarHBondContact OD1-N 3.34Å; D381-R383 VanDerWaalsContact OD1-N 3.14Å; D381-R383 IonicContact OD2-CZ 3.21Å; D381-R383 IonicContact OD2-NE 2.79Å; D381-R383 PolarHBondContact OD2-NE 3.09Å; D381-R383 IonicContact OD2-NH2 3.25Å; D381-R383 PolarHBondContact OD2-NH2 3.16Å
382	G	94.6	Very high	93.4	Very high	54 Å²	54	44.4 Å²	44.4	56%	0.557	27%	0.265	S	S	*	.	S	Bend	trans	83.9	3.1	-176.6	0	0	0	0	0	114.5	L379 A380	L379-G382 WeakPolarHBondContact O-CA 3.32Å; L379-G382 PolarHBondContact O-N 2.97Å; A380-G382 VanDerWaalsContact C-N 3.31Å
383	R	95.1	Very high	92.1	Very high	118 Å²	118	48.2 Å²	48.2	45%	0.445	30%	0.304	S	S	.	.			trans	-77.6	127.3	-177.9	-167.9	-167.4	-42.2	-146	-1.1	111.7	C378 L379 D381	C378-R383 WeakPolarHBondContact CA-O 3.35Å; L379-R383 HydrophobicContact CB-CB 4.34Å; L379-R383 HydrophobicContact CD1-CB 4.37Å; L379-R383 PolarHBondContact N-O 3.15Å; D381-R383 VanDerWaalsContact C-N 3.34Å; D381-R383 WeakPolarHBondContact OD1-CB 3.49Å; D381-R383 PolarHBondContact OD1-N 3.34Å; D381-R383 VanDerWaalsContact OD1-N 3.14Å; D381-R383 IonicContact OD2-CZ 3.21Å; D381-R383 IonicContact OD2-NE 2.79Å; D381-R383 PolarHBondContact OD2-NE 3.09Å; D381-R383 IonicContact OD2-NH2 3.25Å; D381-R383 PolarHBondContact OD2-NH2 3.16Å
384	E	97.3	Very high	90.6	Very high	92 Å²	92	49.8 Å²	49.8	43%	0.43	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.4	172.6	-56.1	-160.1	124.2	0	0	111.1	K376 G377 F435	K376-E384 WeakPolarHBondContact CE-OE1 3.48Å; K376-E384 WeakPolarHBondContact CE-OE2 3.41Å; K376-E384 IonicContact NZ-OE1 2.73Å; K376-E384 PolarHBondContact NZ-OE1 3.19Å; K376-E384 IonicContact NZ-OE2 2.7Å; K376-E384 PolarHBondContact NZ-OE2 2.66Å; G377-E384 WeakPolarHBondContact O-CA 3.24Å; E384-F435 VanDerWaalsContact C-CB 3.49Å; E384-F435 HydrophobicContact CB-CB 3.81Å; E384-F435 HydrophobicContact CB-CD1 3.99Å; E384-F435 HydrophobicContact CB-CG 4.21Å; E384-F435 WeakPolarHBondContact O-CB 3.43Å; E384-F435 PolarHBondContact O-N 3.49Å; E384-F435 VanDerWaalsContact O-N 3.15Å; E384-F435 WeakPolarHBondContact OE2-CD1 3.41Å
385	V	97.6	Very high	89.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.2	-177.3	-69.5	0	0	0	0	112.2	I356 G377 L379 V387 V420 V432 Y433	I356-V385 HydrophobicContact CD1-CG2 3.95Å; G377-V385 PolarHBondContact N-O 3.09Å; G377-V385 PolarHBondContact O-N 2.66Å; L379-V385 HydrophobicContact CD1-CG1 3.71Å; L379-V385 HydrophobicContact CD2-CG2 4.33Å; L379-V385 HydrophobicContact CG-CG1 3.88Å; L379-V385 HydrophobicContact CG-CG2 4.05Å; V385-V387 HydrophobicContact CG2-CG2 4.26Å; V385-V420 HydrophobicContact CG1-CG2 4.49Å; V385-V432 HydrophobicContact CB-CG1 3.82Å; V385-V432 HydrophobicContact CG1-CG1 4.04Å; V385-V432 HydrophobicContact CG2-CG1 4.03Å; V385-Y433 CarbonylContact C-O 3.53Å; V385-Y433 VanDerWaalsContact CA-O 3.24Å; V385-Y433 WeakPolarHBondContact CA-O 3.31Å; V385-Y433 VanDerWaalsContact CB-O 3.27Å; V385-Y433 WeakPolarHBondContact CB-O 3.37Å
386	A	97.6	Very high	88.4	Confident	14 Å²	14	52.2 Å²	52.2	12%	0.116	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114	171.1	0	0	0	0	0	110.1	L366 V374 Y433	L366-A386 HydrophobicContact CD1-CB 4.27Å; V374-A386 HydrophobicContact CG1-CB 4.03Å; A386-Y433 PolarHBondContact N-O 3.39Å; A386-Y433 PolarHBondContact O-N 2.86Å
387	V	97	Very high	87.5	Confident	0 Å²	0	50 Å²	50	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	99.6	-179.9	-175.6	0	0	0	0	109.6	L353 I356 T357 F360 V374 Y375 V385 K389 L430 L431 V432	L353-V387 HydrophobicContact CB-CG1 4.49Å; L353-V387 HydrophobicContact CD1-CG1 4.15Å; L353-V387 HydrophobicContact CD2-CG2 4.49Å; I356-V387 HydrophobicContact CD1-CG2 4.12Å; T357-V387 HydrophobicContact CG2-CB 3.89Å; T357-V387 HydrophobicContact CG2-CG1 4.31Å; T357-V387 HydrophobicContact CG2-CG2 3.77Å; F360-V387 HydrophobicContact CE1-CG1 4.21Å; V374-V387 WeakPolarHBondContact CA-O 3.33Å; Y375-V387 PolarHBondContact N-O 2.83Å; Y375-V387 PolarHBondContact O-N 3.01Å; V385-V387 HydrophobicContact CG2-CG2 4.26Å; V387-K389 PolarHBondContact O-N 2.67Å; V387-L430 HydrophobicContact CG1-CB 4.44Å; V387-L430 HydrophobicContact CG1-CD2 3.97Å; V387-L431 CarbonylContact C-O 3.47Å; V387-L431 WeakPolarHBondContact CA-O 3.39Å; V387-V432 HydrophobicContact CG2-CG1 4.47Å
388	K	95.4	Very high	86.9	Confident	14 Å²	14	53.6 Å²	53.6	6%	0.061	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	103.3	176.4	-176.8	-175.8	-168.2	-173.7	0	109.2	V374 L390 E404 L430 L431 Y433 D502	V374-K388 HydrophobicContact CG2-CB 4.26Å; V374-K388 HydrophobicContact CG2-CG 4.16Å; K388-L390 HydrophobicContact CD-CD2 4.07Å; K388-L390 HydrophobicContact CG-CD2 3.98Å; K388-E404 IonicContact NZ-OE1 2.76Å; K388-E404 PolarHBondContact NZ-OE1 3.48Å; K388-E404 VanDerWaalsContact NZ-OE1 3.09Å; K388-E404 IonicContact NZ-OE2 3.53Å; K388-E404 PolarHBondContact NZ-OE2 3.33Å; K388-L430 WeakPolarHBondContact O-CA 3.46Å; K388-L431 HydrophobicContact CB-CB 4.33Å; K388-L431 HydrophobicContact CD-CD1 4.42Å; K388-L431 PolarHBondContact N-O 2.88Å; K388-L431 PolarHBondContact O-N 2.89Å; K388-Y433 HydrophobicContact CB-CE2 3.94Å; K388-Y433 HydrophobicContact CD-CE2 3.96Å; K388-D502 IonicContact NZ-OD1 3.46Å; K388-D502 PolarHBondContact NZ-OD1 3.16Å
389	K	93.9	Very high	86.3	Confident	48 Å²	48	58.7 Å²	58.7	21%	0.209	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	109.5	173.7	-177.3	171.5	-178	168	0	109.2	Y350 F360 G372 S373 Y375 V387 Q428 L430	Y350-K389 PolarHBondContact OH-NZ 3.03Å; F360-K389 HydrophobicContact CD1-CD 4.45Å; F360-K389 HydrophobicContact CE1-CD 4.41Å; G372-K389 CarbonylContact C-O 3.54Å; G372-K389 WeakPolarHBondContact CA-O 3.31Å; S373-K389 PolarHBondContact N-O 3.36Å; S373-K389 PolarHBondContact O-N 3.34Å; Y375-K389 HydrophobicContact CE2-CB 4.28Å; V387-K389 PolarHBondContact O-N 2.67Å; K389-Q428 VanDerWaalsContact NZ-OE1 3.13Å; K389-L430 HydrophobicContact CB-CD2 3.98Å; K389-L430 HydrophobicContact CB-CG 4.29Å; K389-L430 HydrophobicContact CD-CD2 4.28Å; K389-L430 HydrophobicContact CG-CD2 4.01Å; K389-L430 HydrophobicContact CG-CG 4.18Å
390	L	90.3	Very high	85.8	Confident	10 Å²	10	58 Å²	58	5%	0.052	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	151.3	-176.2	-61.7	174	0	0	0	111.7	F371 K388 G392 F401 R429 L431	F371-L390 HydrophobicContact CB-CD2 4.47Å; F371-L390 WeakPolarHBondContact O-CA 3.21Å; F371-L390 WeakPolarHBondContact O-CD2 3.38Å; K388-L390 HydrophobicContact CD-CD2 4.07Å; K388-L390 HydrophobicContact CG-CD2 3.98Å; L390-G392 PolarHBondContact O-N 2.81Å; L390-F401 HydrophobicContact CD1-CB 3.66Å; L390-F401 HydrophobicContact CD1-CD2 4.01Å; L390-F401 HydrophobicContact CD1-CG 4.34Å; L390-R429 HydrophobicContact CB-CB 4.3Å; L390-R429 HydrophobicContact CD1-CB 4.06Å; L390-R429 PolarHBondContact N-O 3.41Å; L390-L431 HydrophobicContact CD1-CD1 4.1Å
391	K	82.1	Confident	85.6	Confident	86 Å²	86	52.4 Å²	52.4	37%	0.374	32%	0.316	S	S	.	.			trans	-75.7	103.9	-179.8	-84.7	165	179.2	176.7	0	111.1	E368 G369 F371	E368-K391 VanDerWaalsContact OE1-CE 3.3Å; E368-K391 WeakPolarHBondContact OE1-CE 3.21Å; E368-K391 IonicContact OE1-NZ 2.8Å; E368-K391 PolarHBondContact OE1-NZ 2.97Å; G369-K391 PolarHBondContact O-NZ 3.42Å; F371-K391 PolarHBondContact O-N 3.1Å
392	G	71	Confident	85.4	Confident	48 Å²	48	51.3 Å²	51.3	50%	0.495	31%	0.307	S	S	.	.			trans	-62.9	166.6	173.7	0	0	0	0	0	113.4	L390	L390-G392 PolarHBondContact O-N 2.81Å
393	G	59.8	Low	84.9	Confident	87 Å²	87	49.1 Å²	49.1	90%	0.897	28%	0.284	S	S	*	.	S	Bend	trans	90.3	11.5	176.7	0	0	0	0	0	116.2
394	G	62.5	Low	84.6	Confident	47 Å²	47	43.5 Å²	43.5	49%	0.485	26%	0.263	S	S	.	.	S	Bend	trans	-158.3	143.6	173.6	0	0	0	0	0	114.1	Q396 G397	G394-Q396 PolarHBondContact O-N 2.92Å; G394-G397 PolarHBondContact O-N 3.32Å
395	G	73	Confident	84.2	Confident	52 Å²	52	39.9 Å²	39.9	54%	0.536	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	23.9	178.2	0	0	0	0	0	115.6	R399	G395-R399 WeakPolarHBondContact O-CD 3.48Å; G395-R399 VanDerWaalsContact O-CG 3.31Å; G395-R399 WeakPolarHBondContact O-CG 3.3Å; G395-R399 PolarHBondContact O-NE 2.86Å
396	Q	76.1	Confident	83.7	Confident	74 Å²	74	43 Å²	43	35%	0.346	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-59.5	168.7	-178.7	73.8	29.3	0	0	108.3	G394 E398 R399 E400	G394-Q396 PolarHBondContact O-N 2.92Å; Q396-E398 VanDerWaalsContact C-N 3.29Å; Q396-E398 PolarHBondContact O-N 3.34Å; Q396-R399 WeakPolarHBondContact O-CB 3.43Å; Q396-R399 PolarHBondContact O-N 3.29Å; Q396-E400 WeakPolarHBondContact CG-OE1 3.35Å; Q396-E400 PolarHBondContact NE2-OE1 2.76Å; Q396-E400 PolarHBondContact O-N 3.48Å
397	G	78.7	Confident	83.2	Confident	8 Å²	8	42.7 Å²	42.7	8%	0.082	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-32.7	179.9	0	0	0	0	0	114.2	G394 R399 E400 F401	G394-G397 PolarHBondContact O-N 3.32Å; G397-R399 VanDerWaalsContact C-N 3.34Å; G397-R399 PolarHBondContact O-N 3.25Å; G397-E400 PolarHBondContact O-N 3.16Å; G397-F401 WeakPolarHBondContact O-CB 3.3Å; G397-F401 PolarHBondContact O-N 3.46Å
398	E	85.2	Confident	82.6	Confident	78 Å²	78	42.9 Å²	42.9	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-66.7	-34.8	174.1	-163.2	68	-173.6	0	0	112.4	Q396 Q402 R429	Q396-E398 VanDerWaalsContact C-N 3.29Å; Q396-E398 PolarHBondContact O-N 3.34Å; E398-Q402 WeakPolarHBondContact O-CB 3.33Å; E398-Q402 PolarHBondContact O-N 2.94Å; E398-R429 VanDerWaalsContact CD-NE 3.33Å; E398-R429 IonicContact OE1-CZ 3.74Å; E398-R429 VanDerWaalsContact OE1-CZ 3.29Å; E398-R429 IonicContact OE1-NE 3.66Å; E398-R429 PolarHBondContact OE1-NE 2.84Å; E398-R429 IonicContact OE1-NH2 3.35Å; E398-R429 PolarHBondContact OE1-NH2 3.14Å; E398-R429 WeakPolarHBondContact OE2-CG 3.11Å; E398-R429 IonicContact OE2-CZ 2.65Å; E398-R429 IonicContact OE2-NE 2.85Å; E398-R429 PolarHBondContact OE2-NE 3.08Å; E398-R429 IonicContact OE2-NH2 3.9Å; E398-R429 PolarHBondContact OE2-NH2 2.75Å
399	R	84.7	Confident	82.1	Confident	168 Å²	168	43.6 Å²	43.6	63%	0.634	27%	0.265	S	S	*	.	H	α-helix	trans	-76.5	-30.7	177.3	-63	175.5	-170.1	-146.3	-5.2	111.8	G395 Q396 G397 A403	G395-R399 WeakPolarHBondContact O-CD 3.48Å; G395-R399 VanDerWaalsContact O-CG 3.31Å; G395-R399 WeakPolarHBondContact O-CG 3.3Å; G395-R399 PolarHBondContact O-NE 2.86Å; Q396-R399 WeakPolarHBondContact O-CB 3.43Å; Q396-R399 PolarHBondContact O-N 3.29Å; G397-R399 VanDerWaalsContact C-N 3.34Å; G397-R399 PolarHBondContact O-N 3.25Å; R399-A403 WeakPolarHBondContact O-CB 3.46Å; R399-A403 PolarHBondContact O-N 3.39Å
400	E	84	Confident	81.5	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.019	28%	0.276	C	S	.	.	H	α-helix	trans	-70.2	-48.6	173.1	-72.4	158.2	-177.8	0	0	109.7	F371 Q396 G397 Q402 A403 E404 G504 L505	F371-E400 VanDerWaalsContact CD1-CD 3.47Å; F371-E400 VanDerWaalsContact CD1-OE1 3.25Å; F371-E400 WeakPolarHBondContact CD1-OE1 3.11Å; F371-E400 WeakPolarHBondContact CD1-OE2 3.41Å; F371-E400 WeakPolarHBondContact CE1-OE1 3.25Å; Q396-E400 WeakPolarHBondContact CG-OE1 3.35Å; Q396-E400 PolarHBondContact NE2-OE1 2.76Å; Q396-E400 PolarHBondContact O-N 3.48Å; G397-E400 PolarHBondContact O-N 3.16Å; E400-Q402 PolarHBondContact O-N 3.03Å; E400-A403 PolarHBondContact O-N 3.32Å; E400-E404 WeakPolarHBondContact O-CG 3.34Å; E400-E404 PolarHBondContact O-N 2.93Å; E400-G504 WeakPolarHBondContact CA-O 3.42Å; E400-G504 WeakPolarHBondContact CG-O 3.31Å; E400-L505 HydrophobicContact CG-CD2 4.37Å
401	F	89.1	Confident	81.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-53.7	-50.9	172.5	-176.7	-99.7	0	0	0	112.5	M337 L390 G397 A403 E404 V405 Y422 I424 R429 L431	M337-F401 HydrophobicContact CE-CE1 4.35Å; L390-F401 HydrophobicContact CD1-CB 3.66Å; L390-F401 HydrophobicContact CD1-CD2 4.01Å; L390-F401 HydrophobicContact CD1-CG 4.34Å; G397-F401 WeakPolarHBondContact O-CB 3.3Å; G397-F401 PolarHBondContact O-N 3.46Å; F401-A403 PolarHBondContact O-N 3.26Å; F401-E404 PolarHBondContact O-N 2.71Å; F401-V405 HydrophobicContact CD1-CG2 4.24Å; F401-V405 HydrophobicContact CD2-CG2 4.23Å; F401-V405 HydrophobicContact CE1-CG2 3.82Å; F401-V405 HydrophobicContact CE2-CG2 3.83Å; F401-V405 HydrophobicContact CG-CG2 4.44Å; F401-V405 HydrophobicContact CZ-CG2 3.6Å; F401-V405 WeakPolarHBondContact O-CG2 3.37Å; F401-V405 PolarHBondContact O-N 2.84Å; F401-Y422 AromaticContact CZ-CD2 3.89Å; F401-Y422 HydrophobicContact CZ-CD2 3.89Å; F401-Y422 HydrophobicContact CZ-CG 4.27Å; F401-I424 HydrophobicContact CE1-CD1 3.78Å; F401-I424 HydrophobicContact CE1-CG1 3.77Å; F401-I424 HydrophobicContact CZ-CD1 3.92Å; F401-I424 HydrophobicContact CZ-CG1 3.5Å; F401-R429 HydrophobicContact CB-CB 4.21Å; F401-R429 HydrophobicContact CB-CG 4.24Å; F401-R429 HydrophobicContact CD1-CG 4.35Å; F401-R429 HydrophobicContact CD2-CB 3.66Å; F401-R429 HydrophobicContact CD2-CG 4.2Å; F401-R429 HydrophobicContact CE2-CB 4.17Å; F401-R429 HydrophobicContact CG-CB 3.93Å; F401-R429 HydrophobicContact CG-CG 4Å; F401-L431 HydrophobicContact CD2-CD1 4.22Å; F401-L431 HydrophobicContact CD2-CD2 3.76Å; F401-L431 HydrophobicContact CD2-CG 3.9Å; F401-L431 HydrophobicContact CE2-CD2 3.61Å; F401-L431 HydrophobicContact CE2-CG 4.07Å
402	Q	87.6	Confident	81.9	Confident	76 Å²	76	49.9 Å²	49.9	36%	0.355	29%	0.292	S	S	.	.	H	α-helix	trans	-61	-43.7	177.5	179.9	61.4	40	0	0	111.9	E398 E400 E404 E406	E398-Q402 WeakPolarHBondContact O-CB 3.33Å; E398-Q402 PolarHBondContact O-N 2.94Å; E400-Q402 PolarHBondContact O-N 3.03Å; Q402-E404 VanDerWaalsContact C-N 3.34Å; Q402-E404 PolarHBondContact O-N 2.88Å; Q402-E406 PolarHBondContact NE2-OE2 2.89Å; Q402-E406 WeakPolarHBondContact O-CB 3.45Å; Q402-E406 PolarHBondContact O-N 3.29Å
403	A	85.2	Confident	83	Confident	8 Å²	8	50 Å²	50	7%	0.066	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-39.1	179	0	0	0	0	0	111.8	R399 E400 F401 I407 G504	R399-A403 WeakPolarHBondContact O-CB 3.46Å; R399-A403 PolarHBondContact O-N 3.39Å; E400-A403 PolarHBondContact O-N 3.32Å; F401-A403 PolarHBondContact O-N 3.26Å; A403-I407 WeakPolarHBondContact O-CB 3.34Å; A403-I407 WeakPolarHBondContact O-CG1 3.41Å; A403-I407 PolarHBondContact O-N 3.44Å; A403-G504 WeakPolarHBondContact CB-O 3.25Å
404	E	88	Confident	84.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.7	-59.6	174.7	-62.6	-168.4	101.8	0	0	110.3	K388 E400 F401 Q402 E406 I407 I408 L431 Y433 F503 G504	K388-E404 IonicContact NZ-OE1 2.76Å; K388-E404 PolarHBondContact NZ-OE1 3.48Å; K388-E404 VanDerWaalsContact NZ-OE1 3.09Å; K388-E404 IonicContact NZ-OE2 3.53Å; K388-E404 PolarHBondContact NZ-OE2 3.33Å; E400-E404 WeakPolarHBondContact O-CG 3.34Å; E400-E404 PolarHBondContact O-N 2.93Å; F401-E404 PolarHBondContact O-N 2.71Å; Q402-E404 VanDerWaalsContact C-N 3.34Å; Q402-E404 PolarHBondContact O-N 2.88Å; E404-E406 PolarHBondContact O-N 3.26Å; E404-I407 PolarHBondContact O-N 3.43Å; E404-I408 HydrophobicContact CB-CG2 4.1Å; E404-I408 VanDerWaalsContact O-CG2 3.26Å; E404-I408 WeakPolarHBondContact O-CG2 3.41Å; E404-I408 PolarHBondContact O-N 2.82Å; E404-L431 HydrophobicContact CB-CD1 3.74Å; E404-L431 HydrophobicContact CG-CD1 4.18Å; E404-L431 WeakPolarHBondContact OE2-CD1 3.34Å; E404-Y433 PolarHBondContact OE1-OH 3.45Å; E404-Y433 PolarHBondContact OE2-OH 3.46Å; E404-F503 VanDerWaalsContact CG-C 3.46Å; E404-F503 HydrophobicContact CG-CB 3.91Å; E404-F503 PolarHBondContact OE1-N 3.48Å; E404-G504 VanDerWaalsContact CG-N 3.32Å
405	V	88.5	Confident	86.4	Confident	15 Å²	15	51.9 Å²	51.9	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-55.5	-31.9	-177.6	177.5	0	0	0	0	112.9	F401 S409 Y422 L431	F401-V405 HydrophobicContact CD1-CG2 4.24Å; F401-V405 HydrophobicContact CD2-CG2 4.23Å; F401-V405 HydrophobicContact CE1-CG2 3.82Å; F401-V405 HydrophobicContact CE2-CG2 3.83Å; F401-V405 HydrophobicContact CG-CG2 4.44Å; F401-V405 HydrophobicContact CZ-CG2 3.6Å; F401-V405 WeakPolarHBondContact O-CG2 3.37Å; F401-V405 PolarHBondContact O-N 2.84Å; V405-S409 WeakPolarHBondContact O-CB 3.4Å; V405-S409 PolarHBondContact O-OG 2.84Å; V405-Y422 HydrophobicContact CG1-CD1 4.1Å; V405-Y422 HydrophobicContact CG1-CE1 3.97Å; V405-Y422 HydrophobicContact CG2-CD1 4.17Å; V405-Y422 HydrophobicContact CG2-CG 4.07Å; V405-L431 HydrophobicContact CG2-CD2 3.65Å
406	E	87.6	Confident	87.6	Confident	67 Å²	67	49.6 Å²	49.6	31%	0.313	22%	0.221	S	C	.	.	H	α-helix	trans	-79.6	-33.6	175.6	-163.4	-175	157.9	0	0	114.2	Q402 E404 R410	Q402-E406 PolarHBondContact NE2-OE2 2.89Å; Q402-E406 WeakPolarHBondContact O-CB 3.45Å; Q402-E406 PolarHBondContact O-N 3.29Å; E404-E406 PolarHBondContact O-N 3.26Å; E406-R410 VanDerWaalsContact O-CD 3.23Å; E406-R410 WeakPolarHBondContact O-CD 3.33Å; E406-R410 WeakPolarHBondContact O-CG 3.43Å; E406-R410 PolarHBondContact O-NE 2.84Å; E406-R410 VanDerWaalsContact O-NE 3.11Å; E406-R410 PolarHBondContact O-NH1 2.9Å; E406-R410 IonicContact OE1-CZ 3.26Å; E406-R410 IonicContact OE1-NH1 2.94Å; E406-R410 PolarHBondContact OE1-NH1 3.26Å; E406-R410 IonicContact OE1-NH2 2.71Å; E406-R410 PolarHBondContact OE1-NH2 2.79Å
407	I	86.7	Confident	88.5	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-101.6	-52.5	-171.1	-58	175.4	0	0	0	111.9	A403 E404 S409 R410 I480 A506 L508	A403-I407 WeakPolarHBondContact O-CB 3.34Å; A403-I407 WeakPolarHBondContact O-CG1 3.41Å; A403-I407 PolarHBondContact O-N 3.44Å; E404-I407 PolarHBondContact O-N 3.43Å; I407-S409 VanDerWaalsContact C-N 3.26Å; I407-S409 PolarHBondContact O-N 3.33Å; I407-R410 PolarHBondContact O-N 3.49Å; I407-I480 HydrophobicContact CG2-CB 4.42Å; I407-I480 HydrophobicContact CG2-CD1 3.66Å; I407-I480 HydrophobicContact CG2-CG1 3.87Å; I407-I480 HydrophobicContact CG2-CG2 3.66Å; I407-A506 HydrophobicContact CD1-CB 4.02Å; I407-A506 WeakPolarHBondContact CD1-O 3.16Å; I407-L508 HydrophobicContact CD1-CD2 4.19Å; I407-L508 HydrophobicContact CD1-CG 4.2Å; I407-L508 HydrophobicContact CG1-CD2 3.9Å; I407-L508 HydrophobicContact CG1-CG 4.09Å; I407-L508 HydrophobicContact CG2-CD2 4.32Å
408	I	84.8	Confident	89.2	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.021	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-72.4	-20	-172.7	-160.2	51.2	0	0	0	112.6	E404 R410 V411 L419 F503	E404-I408 HydrophobicContact CB-CG2 4.1Å; E404-I408 VanDerWaalsContact O-CG2 3.26Å; E404-I408 WeakPolarHBondContact O-CG2 3.41Å; E404-I408 PolarHBondContact O-N 2.82Å; I408-R410 VanDerWaalsContact C-N 3.3Å; I408-V411 HydrophobicContact CD1-CG2 3.57Å; I408-L419 HydrophobicContact CB-CB 4.46Å; I408-L419 HydrophobicContact CG1-CB 4.17Å; I408-L419 HydrophobicContact CG2-CB 3.5Å; I408-L419 VanDerWaalsContact CG2-CB 3.5Å; I408-L419 HydrophobicContact CG2-CD1 4.22Å; I408-L419 HydrophobicContact CG2-CD2 3.54Å; I408-L419 HydrophobicContact CG2-CG 3.93Å; I408-F503 HydrophobicContact CB-CB 4.42Å; I408-F503 HydrophobicContact CB-CD2 4.38Å; I408-F503 HydrophobicContact CB-CG 4.31Å; I408-F503 HydrophobicContact CD1-CD1 4.18Å; I408-F503 HydrophobicContact CD1-CD2 3.51Å; I408-F503 HydrophobicContact CD1-CE1 4Å; I408-F503 HydrophobicContact CD1-CE2 3.31Å; I408-F503 HydrophobicContact CD1-CG 3.96Å; I408-F503 HydrophobicContact CD1-CZ 3.57Å; I408-F503 HydrophobicContact CG1-CD2 3.91Å; I408-F503 HydrophobicContact CG1-CE2 4.17Å; I408-F503 HydrophobicContact CG1-CG 4.31Å
409	S	84.6	Confident	89.6	Confident	29 Å²	29	43.9 Å²	43.9	20%	0.203	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-70	-24.1	172.8	57.9	0	0	0	0	113.8	V405 I407	V405-S409 WeakPolarHBondContact O-CB 3.4Å; V405-S409 PolarHBondContact O-OG 2.84Å; I407-S409 VanDerWaalsContact C-N 3.26Å; I407-S409 PolarHBondContact O-N 3.33Å
410	R	82.6	Confident	90	Very high	114 Å²	114	36.9 Å²	36.9	43%	0.43	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-92.2	-8	-174.7	-62	-179.4	-178.4	150.7	6.5	113.8	E406 I407 I408	E406-R410 VanDerWaalsContact O-CD 3.23Å; E406-R410 WeakPolarHBondContact O-CD 3.33Å; E406-R410 WeakPolarHBondContact O-CG 3.43Å; E406-R410 PolarHBondContact O-NE 2.84Å; E406-R410 VanDerWaalsContact O-NE 3.11Å; E406-R410 PolarHBondContact O-NH1 2.9Å; E406-R410 IonicContact OE1-CZ 3.26Å; E406-R410 IonicContact OE1-NH1 2.94Å; E406-R410 PolarHBondContact OE1-NH1 3.26Å; E406-R410 IonicContact OE1-NH2 2.71Å; E406-R410 PolarHBondContact OE1-NH2 2.79Å; I407-R410 PolarHBondContact O-N 3.49Å; I408-R410 VanDerWaalsContact C-N 3.3Å
411	V	88	Confident	90.5	Very high	12 Å²	12	36.7 Å²	36.7	7%	0.073	17%	0.17	C	C	.	.			trans	-119.1	143.6	-174.9	-67.2	0	0	0	0	111.7	I408 L416 Y471 L472 C476 I480	I408-V411 HydrophobicContact CD1-CG2 3.57Å; V411-L416 HydrophobicContact CB-CD1 4.36Å; V411-L416 HydrophobicContact CG2-CD1 4.2Å; V411-Y471 HydrophobicContact CB-CE1 3.92Å; V411-Y471 HydrophobicContact CG1-CE1 3.93Å; V411-L472 HydrophobicContact CG1-CD2 4.43Å; V411-C476 VanDerWaalsContact CG1-SG 3.6Å; V411-I480 HydrophobicContact CG1-CD1 3.48Å; V411-I480 VanDerWaalsContact CG1-CD1 3.48Å
412	H	91.3	Very high	90.8	Very high	150 Å²	150	37.1 Å²	37.1	69%	0.694	17%	0.172	S	C	*	.			trans	-149.1	109.6	175.1	-162.1	60.3	0	0	0	109.5	S418	H412-S418 PolarHBondContact CE1-OG 2.7Å; H412-S418 PolarHBondContact ND1-OG 3.43Å
413	H	95.3	Very high	91.1	Very high	51 Å²	51	33.5 Å²	33.5	24%	0.236	16%	0.155	C	C	.	.			trans	-154.2	138.8	-172.1	177.8	-116.9	0	0	0	110.1	H415 L416 Y471	H413-H415 PolarHBondContact O-N 3.32Å; H413-L416 HydrophobicContact CB-CD1 4.13Å; H413-L416 HydrophobicContact CB-CG 4.14Å; H413-L416 PolarHBondContact O-N 3.46Å; H413-Y471 HydrophobicContact CB-CD1 3.9Å; H413-Y471 HydrophobicContact CB-CD2 4.33Å; H413-Y471 HydrophobicContact CB-CE1 3.86Å; H413-Y471 HydrophobicContact CB-CE2 4.29Å; H413-Y471 HydrophobicContact CB-CG 4.13Å; H413-Y471 AromaticContact CG-CG 3.9Å
414	R	96.4	Very high	91.4	Very high	165 Å²	165	34.6 Å²	34.6	62%	0.623	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.1	-174	170	173.6	165.2	149.4	-13.2	114.7	E497	R414-E497 IonicContact CZ-OE2 3.45Å; R414-E497 IonicContact NE-OE2 3.1Å; R414-E497 PolarHBondContact NE-OE2 2.89Å; R414-E497 IonicContact NH2-OE1 3.23Å; R414-E497 PolarHBondContact NH2-OE1 2.84Å; R414-E497 IonicContact NH2-OE2 3.68Å; R414-E497 PolarHBondContact NH2-OE2 3.28Å
415	H	97.9	Very high	91.6	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.037	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	19.1	-179.7	-63.4	-58.7	0	0	0	113.7	H413 G464 R467 E497 A498 Q499 V500	H413-H415 PolarHBondContact O-N 3.32Å; H415-G464 WeakPolarHBondContact CB-O 3.27Å; H415-R467 PolarHBondContact CD2-NE 2.86Å; H415-R467 PolarHBondContact NE2-NE 3.13Å; H415-R467 PolarHBondContact NE2-NH2 3.44Å; H415-E497 IonicContact CE1-OE2 2.76Å; H415-E497 PolarHBondContact CE1-OE2 3.48Å; H415-A498 WeakPolarHBondContact CA-O 3.28Å; H415-A498 PolarHBondContact ND1-O 3.01Å; H415-Q499 WeakPolarHBondContact O-CA 3.15Å; H415-V500 PolarHBondContact O-N 2.91Å
416	L	97.1	Very high	91.5	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-126.9	138.8	171.1	-57.3	-177.3	0	0	0	110	V411 H413 S418 Y471 L472 V500 F503	V411-L416 HydrophobicContact CB-CD1 4.36Å; V411-L416 HydrophobicContact CG2-CD1 4.2Å; H413-L416 HydrophobicContact CB-CD1 4.13Å; H413-L416 HydrophobicContact CB-CG 4.14Å; H413-L416 PolarHBondContact O-N 3.46Å; L416-S418 PolarHBondContact O-N 2.69Å; L416-Y471 HydrophobicContact CD1-CD1 3.76Å; L416-Y471 HydrophobicContact CD1-CE1 3.93Å; L416-L472 HydrophobicContact CD1-CD2 3.62Å; L416-L472 HydrophobicContact CD1-CG 4Å; L416-L472 HydrophobicContact CD2-CD1 3.95Å; L416-L472 HydrophobicContact CD2-CG 4.14Å; L416-V500 HydrophobicContact CD2-CB 3.9Å; L416-V500 HydrophobicContact CD2-CG2 4.4Å; L416-F503 HydrophobicContact CD1-CZ 4.39Å; L416-F503 HydrophobicContact CD2-CZ 4.14Å
417	V	95.4	Very high	91.4	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.036	22%	0.216	C	C	.	.			trans	-71.6	119.6	177.5	-178.7	0	0	0	0	110	Y433 V436 L491 Q499 V500 A501	V417-Y433 HydrophobicContact CG1-CD1 4.03Å; V417-Y433 HydrophobicContact CG1-CG 4.29Å; V417-V436 HydrophobicContact CG1-CG2 4.37Å; V417-V436 HydrophobicContact CG2-CG2 4.13Å; V417-L491 HydrophobicContact CG2-CB 4.47Å; V417-L491 HydrophobicContact CG2-CD1 4.02Å; V417-L491 HydrophobicContact CG2-CG 4.32Å; V417-Q499 HydrophobicContact CG2-CB 3.6Å; V417-V500 PolarHBondContact N-O 2.82Å; V417-A501 HydrophobicContact CB-CB 4.16Å; V417-A501 HydrophobicContact CG2-CB 3.66Å
418	S	93.7	Very high	91.5	Very high	18 Å²	18	43 Å²	43	13%	0.126	22%	0.224	C	C	.	.			trans	-80.1	139.4	-175.1	-70.2	0	0	0	0	113	H412 L416 Y433 D434	H412-S418 PolarHBondContact CE1-OG 2.7Å; H412-S418 PolarHBondContact ND1-OG 3.43Å; L416-S418 PolarHBondContact O-N 2.69Å; S418-Y433 VanDerWaalsContact O-CA 3.26Å; S418-Y433 WeakPolarHBondContact O-CA 3.39Å; S418-Y433 WeakPolarHBondContact O-CB 3.23Å; S418-D434 PolarHBondContact O-N 2.66Å
419	L	93.6	Very high	91.8	Very high	16 Å²	16	44 Å²	44	8%	0.084	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	112.2	173.5	-174.4	80.9	0	0	0	110.3	C345 I408 G421 L431 V432 Y433	C345-L419 WeakPolarHBondContact SG-CD2 3.25Å; I408-L419 HydrophobicContact CB-CB 4.46Å; I408-L419 HydrophobicContact CG1-CB 4.17Å; I408-L419 HydrophobicContact CG2-CB 3.5Å; I408-L419 VanDerWaalsContact CG2-CB 3.5Å; I408-L419 HydrophobicContact CG2-CD1 4.22Å; I408-L419 HydrophobicContact CG2-CD2 3.54Å; I408-L419 HydrophobicContact CG2-CG 3.93Å; L419-G421 WeakPolarHBondContact CD1-O 3.37Å; L419-L431 HydrophobicContact CD1-CB 3.92Å; L419-L431 HydrophobicContact CD1-CD2 4.07Å; L419-L431 HydrophobicContact CD2-CD2 4.4Å; L419-V432 CarbonylContact C-O 3.54Å; L419-V432 WeakPolarHBondContact CD1-O 3.48Å; L419-Y433 HydrophobicContact CB-CD1 4.24Å; L419-Y433 HydrophobicContact CB-CE1 4.3Å; L419-Y433 HydrophobicContact CD1-CD1 3.87Å; L419-Y433 HydrophobicContact CD1-CD2 4.26Å; L419-Y433 HydrophobicContact CD1-CE1 3.61Å; L419-Y433 HydrophobicContact CD1-CE2 3.99Å; L419-Y433 HydrophobicContact CD1-CG 4.2Å
420	V	93.4	Very high	92.3	Very high	21 Å²	21	42.6 Å²	42.6	13%	0.127	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-32.2	175.6	-179.6	0	0	0	0	111.4	R346 F348 L379 V385 V432 D434	R346-V420 PolarHBondContact N-O 3.04Å; F348-V420 HydrophobicContact CE2-CG1 4.36Å; F348-V420 HydrophobicContact CZ-CG1 4.38Å; L379-V420 HydrophobicContact CD1-CG1 4.3Å; V385-V420 HydrophobicContact CG1-CG2 4.49Å; V420-V432 WeakPolarHBondContact CA-O 3.32Å; V420-V432 HydrophobicContact CB-CG1 4.25Å; V420-V432 PolarHBondContact N-O 2.85Å; V420-D434 HydrophobicContact CG2-CB 4.4Å; V420-D434 VanDerWaalsContact CG2-CG 3.5Å; V420-D434 VanDerWaalsContact CG2-OD1 3.25Å; V420-D434 WeakPolarHBondContact CG2-OD1 2.89Å
421	G	93.8	Very high	92.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	-175.9	-176.7	0	0	0	0	0	115.8	C345 R346 L419 V432	C345-G421 VanDerWaalsContact SG-CA 3.59Å; R346-G421 CarbonylContact O-C 3.59Å; R346-G421 WeakPolarHBondContact O-CA 3.28Å; L419-G421 WeakPolarHBondContact CD1-O 3.37Å; G421-V432 PolarHBondContact N-O 3.36Å; G421-V432 VanDerWaalsContact N-O 3.07Å; G421-V432 PolarHBondContact O-N 2.8Å
422	Y	94.7	Very high	93.3	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	162.8	179.1	64.6	-94.4	0	0	0	112.5	M337 R346 F347 F348 F401 V405 I424 L430	M337-Y422 PolarHBondContact O-OH 3.1Å; R346-Y422 PolarHBondContact O-N 2.96Å; F347-Y422 HydrophobicContact CD2-CD2 4.14Å; F347-Y422 AromaticContact CD2-CE2 3.69Å; F347-Y422 HydrophobicContact CD2-CE2 3.69Å; F347-Y422 HydrophobicContact CE2-CE2 4.21Å; F348-Y422 PolarHBondContact N-O 2.98Å; F401-Y422 AromaticContact CZ-CD2 3.89Å; F401-Y422 HydrophobicContact CZ-CD2 3.89Å; F401-Y422 HydrophobicContact CZ-CG 4.27Å; V405-Y422 HydrophobicContact CG1-CD1 4.1Å; V405-Y422 HydrophobicContact CG1-CE1 3.97Å; V405-Y422 HydrophobicContact CG2-CD1 4.17Å; V405-Y422 HydrophobicContact CG2-CG 4.07Å; Y422-I424 HydrophobicContact CD2-CD1 4.23Å; Y422-I424 HydrophobicContact CD2-CG1 4.1Å; Y422-I424 HydrophobicContact CE2-CD1 3.97Å; Y422-I424 HydrophobicContact CE2-CG1 4.3Å; Y422-L430 CarbonylContact C-O 3.6Å; Y422-L430 WeakPolarHBondContact CA-O 3.28Å
423	C	94.4	Very high	93.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.5	174.4	179.9	0	0	0	0	111.1	F348 T349 Y350 L353 L430	F348-C423 HydrophobicContact CB-CB 4.49Å; F348-C423 WeakPolarHBondContact O-CA 3.35Å; F348-C423 WeakPolarHBondContact O-CB 3.4Å; F348-C423 PolarHBondContact O-SG 3.32Å; T349-C423 VanDerWaalsContact C-SG 3.59Å; Y350-C423 PolarHBondContact N-SG 2.94Å; Y350-C423 VanDerWaalsContact N-SG 3.36Å; L353-C423 HydrophobicContact CD1-CB 3.41Å; L353-C423 VanDerWaalsContact CD1-CB 3.41Å; L353-C423 HydrophobicContact CG-CB 4.35Å; C423-L430 HydrophobicContact CB-CB 4.18Å; C423-L430 HydrophobicContact CB-CD1 4.13Å; C423-L430 PolarHBondContact N-O 2.79Å; C423-L430 PolarHBondContact O-N 3.21Å
424	I	92.5	Very high	93.5	Very high	30 Å²	30	30.3 Å²	30.3	15%	0.154	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	112.3	173.3	-58.2	174.1	0	0	0	107.1	M337 F347 F401 Y422	M337-I424 HydrophobicContact SD-CD1 3.5Å; M337-I424 VanDerWaalsContact SD-CD1 3.5Å; F347-I424 HydrophobicContact CE2-CB 4.31Å; F401-I424 HydrophobicContact CE1-CD1 3.78Å; F401-I424 HydrophobicContact CE1-CG1 3.77Å; F401-I424 HydrophobicContact CZ-CD1 3.92Å; F401-I424 HydrophobicContact CZ-CG1 3.5Å; Y422-I424 HydrophobicContact CD2-CD1 4.23Å; Y422-I424 HydrophobicContact CD2-CG1 4.1Å; Y422-I424 HydrophobicContact CE2-CD1 3.97Å; Y422-I424 HydrophobicContact CE2-CG1 4.3Å
425	S	90.6	Very high	93.5	Very high	53 Å²	53	24.5 Å²	24.5	37%	0.371	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	102.2	179.5	-165.1	0	0	0	0	111.1	D427 Q428	S425-D427 PolarHBondContact O-N 3.18Å; S425-Q428 PolarHBondContact N-O 3.29Å; S425-Q428 WeakPolarHBondContact O-CA 3.32Å; S425-Q428 VanDerWaalsContact O-CB 3.22Å; S425-Q428 WeakPolarHBondContact O-CB 3.34Å; S425-Q428 WeakPolarHBondContact O-CG 3.26Å; S425-Q428 PolarHBondContact O-N 2.99Å
426	G	87.2	Confident	93.5	Very high	65 Å²	65	24.6 Å²	24.6	67%	0.67	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	-121.3	-172.6	0	0	0	0	0	111.8	R429	G426-R429 PolarHBondContact O-NH1 2.74Å
427	D	85.1	Confident	93.5	Very high	105 Å²	105	27.1 Å²	27.1	56%	0.561	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-10.6	172.9	73.1	-32.8	0	0	0	113.3	S425	S425-D427 PolarHBondContact O-N 3.18Å
428	Q	88.5	Confident	93.5	Very high	42 Å²	42	28.5 Å²	28.5	20%	0.196	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	137.9	179.9	-50.6	-63.1	-76.3	0	0	110.4	Y350 K389 S425 L430	Y350-Q428 HydrophobicContact CD2-CB 4.35Å; Y350-Q428 HydrophobicContact CD2-CG 4.3Å; Y350-Q428 HydrophobicContact CE2-CB 4.37Å; Y350-Q428 HydrophobicContact CE2-CG 4.02Å; K389-Q428 VanDerWaalsContact NZ-OE1 3.13Å; S425-Q428 PolarHBondContact N-O 3.29Å; S425-Q428 WeakPolarHBondContact O-CA 3.32Å; S425-Q428 VanDerWaalsContact O-CB 3.22Å; S425-Q428 WeakPolarHBondContact O-CB 3.34Å; S425-Q428 WeakPolarHBondContact O-CG 3.26Å; S425-Q428 PolarHBondContact O-N 2.99Å; Q428-L430 HydrophobicContact CB-CD1 3.95Å
429	R	92.7	Very high	93.6	Very high	25 Å²	25	31 Å²	31	9%	0.094	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120.6	172	-63.2	-61.5	179.4	-87.7	-3.9	107.9	L390 E398 F401 G426	L390-R429 HydrophobicContact CB-CB 4.3Å; L390-R429 HydrophobicContact CD1-CB 4.06Å; L390-R429 PolarHBondContact N-O 3.41Å; E398-R429 VanDerWaalsContact CD-NE 3.33Å; E398-R429 IonicContact OE1-CZ 3.74Å; E398-R429 VanDerWaalsContact OE1-CZ 3.29Å; E398-R429 IonicContact OE1-NE 3.66Å; E398-R429 PolarHBondContact OE1-NE 2.84Å; E398-R429 IonicContact OE1-NH2 3.35Å; E398-R429 PolarHBondContact OE1-NH2 3.14Å; E398-R429 WeakPolarHBondContact OE2-CG 3.11Å; E398-R429 IonicContact OE2-CZ 2.65Å; E398-R429 IonicContact OE2-NE 2.85Å; E398-R429 PolarHBondContact OE2-NE 3.08Å; E398-R429 IonicContact OE2-NH2 3.9Å; E398-R429 PolarHBondContact OE2-NH2 2.75Å; F401-R429 HydrophobicContact CB-CB 4.21Å; F401-R429 HydrophobicContact CB-CG 4.24Å; F401-R429 HydrophobicContact CD1-CG 4.35Å; F401-R429 HydrophobicContact CD2-CB 3.66Å; F401-R429 HydrophobicContact CD2-CG 4.2Å; F401-R429 HydrophobicContact CE2-CB 4.17Å; F401-R429 HydrophobicContact CG-CB 3.93Å; F401-R429 HydrophobicContact CG-CG 4Å; G426-R429 PolarHBondContact O-NH1 2.74Å
430	L	94.6	Very high	93.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.6	177.5	-52.5	90	0	0	0	110.3	Y350 L353 F360 V387 K388 K389 Y422 C423 Q428	Y350-L430 HydrophobicContact CD2-CD1 3.91Å; Y350-L430 HydrophobicContact CE2-CD1 4.22Å; L353-L430 HydrophobicContact CD1-CB 3.69Å; L353-L430 HydrophobicContact CD1-CD2 4.01Å; L353-L430 HydrophobicContact CD1-CG 4.29Å; F360-L430 HydrophobicContact CE1-CD2 3.62Å; F360-L430 HydrophobicContact CZ-CD2 3.6Å; V387-L430 HydrophobicContact CG1-CB 4.44Å; V387-L430 HydrophobicContact CG1-CD2 3.97Å; K388-L430 WeakPolarHBondContact O-CA 3.46Å; K389-L430 HydrophobicContact CB-CD2 3.98Å; K389-L430 HydrophobicContact CB-CG 4.29Å; K389-L430 HydrophobicContact CD-CD2 4.28Å; K389-L430 HydrophobicContact CG-CD2 4.01Å; K389-L430 HydrophobicContact CG-CG 4.18Å; Y422-L430 CarbonylContact C-O 3.6Å; Y422-L430 WeakPolarHBondContact CA-O 3.28Å; C423-L430 HydrophobicContact CB-CB 4.18Å; C423-L430 HydrophobicContact CB-CD1 4.13Å; C423-L430 PolarHBondContact N-O 2.79Å; C423-L430 PolarHBondContact O-N 3.21Å; Q428-L430 HydrophobicContact CB-CD1 3.95Å
431	L	94.9	Very high	94.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	140	179.2	-64.9	166.7	0	0	0	108.7	V387 K388 L390 F401 E404 V405 L419 Y433	V387-L431 CarbonylContact C-O 3.47Å; V387-L431 WeakPolarHBondContact CA-O 3.39Å; K388-L431 HydrophobicContact CB-CB 4.33Å; K388-L431 HydrophobicContact CD-CD1 4.42Å; K388-L431 PolarHBondContact N-O 2.88Å; K388-L431 PolarHBondContact O-N 2.89Å; L390-L431 HydrophobicContact CD1-CD1 4.1Å; F401-L431 HydrophobicContact CD2-CD1 4.22Å; F401-L431 HydrophobicContact CD2-CD2 3.76Å; F401-L431 HydrophobicContact CD2-CG 3.9Å; F401-L431 HydrophobicContact CE2-CD2 3.61Å; F401-L431 HydrophobicContact CE2-CG 4.07Å; E404-L431 HydrophobicContact CB-CD1 3.74Å; E404-L431 HydrophobicContact CG-CD1 4.18Å; E404-L431 WeakPolarHBondContact OE2-CD1 3.34Å; V405-L431 HydrophobicContact CG2-CD2 3.65Å; L419-L431 HydrophobicContact CD1-CB 3.92Å; L419-L431 HydrophobicContact CD1-CD2 4.07Å; L419-L431 HydrophobicContact CD2-CD2 4.4Å; L431-Y433 HydrophobicContact CB-CD2 4.48Å; L431-Y433 HydrophobicContact CB-CE2 3.55Å; L431-Y433 WeakPolarHBondContact CD1-OH 3.38Å
432	V	95.7	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118	-174.2	-171	0	0	0	0	108.4	F348 L353 V385 V387 L419 V420 G421	F348-V432 HydrophobicContact CD2-CB 4.44Å; F348-V432 HydrophobicContact CD2-CG2 3.88Å; F348-V432 HydrophobicContact CE2-CB 4.23Å; F348-V432 HydrophobicContact CE2-CG1 4.28Å; F348-V432 HydrophobicContact CE2-CG2 4.13Å; L353-V432 HydrophobicContact CD1-CG2 4.01Å; L353-V432 HydrophobicContact CD2-CG2 3.61Å; L353-V432 HydrophobicContact CG-CG2 4.5Å; V385-V432 HydrophobicContact CB-CG1 3.82Å; V385-V432 HydrophobicContact CG1-CG1 4.04Å; V385-V432 HydrophobicContact CG2-CG1 4.03Å; V387-V432 HydrophobicContact CG2-CG1 4.47Å; L419-V432 CarbonylContact C-O 3.54Å; L419-V432 WeakPolarHBondContact CD1-O 3.48Å; V420-V432 WeakPolarHBondContact CA-O 3.32Å; V420-V432 HydrophobicContact CB-CG1 4.25Å; V420-V432 PolarHBondContact N-O 2.85Å; G421-V432 PolarHBondContact N-O 3.36Å; G421-V432 VanDerWaalsContact N-O 3.07Å; G421-V432 PolarHBondContact O-N 2.8Å
433	Y	95.8	Very high	94.3	Very high	16 Å²	16	36.4 Å²	36.4	6%	0.063	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	160.2	179	-53.9	-100.5	0	0	0	110.2	V385 A386 K388 E404 V417 S418 L419 L431	V385-Y433 CarbonylContact C-O 3.53Å; V385-Y433 VanDerWaalsContact CA-O 3.24Å; V385-Y433 WeakPolarHBondContact CA-O 3.31Å; V385-Y433 VanDerWaalsContact CB-O 3.27Å; V385-Y433 WeakPolarHBondContact CB-O 3.37Å; A386-Y433 PolarHBondContact N-O 3.39Å; A386-Y433 PolarHBondContact O-N 2.86Å; K388-Y433 HydrophobicContact CB-CE2 3.94Å; K388-Y433 HydrophobicContact CD-CE2 3.96Å; E404-Y433 PolarHBondContact OE1-OH 3.45Å; E404-Y433 PolarHBondContact OE2-OH 3.46Å; V417-Y433 HydrophobicContact CG1-CD1 4.03Å; V417-Y433 HydrophobicContact CG1-CG 4.29Å; S418-Y433 VanDerWaalsContact O-CA 3.26Å; S418-Y433 WeakPolarHBondContact O-CA 3.39Å; S418-Y433 WeakPolarHBondContact O-CB 3.23Å; L419-Y433 HydrophobicContact CB-CD1 4.24Å; L419-Y433 HydrophobicContact CB-CE1 4.3Å; L419-Y433 HydrophobicContact CD1-CD1 3.87Å; L419-Y433 HydrophobicContact CD1-CD2 4.26Å; L419-Y433 HydrophobicContact CD1-CE1 3.61Å; L419-Y433 HydrophobicContact CD1-CE2 3.99Å; L419-Y433 HydrophobicContact CD1-CG 4.2Å; L431-Y433 HydrophobicContact CB-CD2 4.48Å; L431-Y433 HydrophobicContact CB-CE2 3.55Å; L431-Y433 WeakPolarHBondContact CD1-OH 3.38Å
434	D	95.5	Very high	94.5	Very high	52 Å²	52	37.1 Å²	37.1	28%	0.278	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	139.5	166.3	-67.8	-59.6	0	0	0	109.6	S418 V420 V436	S418-D434 PolarHBondContact O-N 2.66Å; V420-D434 HydrophobicContact CG2-CB 4.4Å; V420-D434 VanDerWaalsContact CG2-CG 3.5Å; V420-D434 VanDerWaalsContact CG2-OD1 3.25Å; V420-D434 WeakPolarHBondContact CG2-OD1 2.89Å; D434-V436 PolarHBondContact O-N 3Å
435	F	97.3	Very high	94.7	Very high	44 Å²	44	35.9 Å²	35.9	19%	0.193	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-77.2	124.6	-179.4	176	-110.1	0	0	0	111.3	L366 K376 E384 P437	L366-F435 HydrophobicContact CD1-CD2 3.86Å; L366-F435 HydrophobicContact CD1-CE2 3.67Å; L366-F435 HydrophobicContact CD2-CE2 3.8Å; L366-F435 HydrophobicContact CD2-CZ 4.44Å; L366-F435 HydrophobicContact CG-CE2 4.41Å; K376-F435 HydrophobicContact CD-CD2 4.4Å; K376-F435 HydrophobicContact CD-CE1 4.23Å; K376-F435 HydrophobicContact CD-CE2 4.12Å; K376-F435 HydrophobicContact CD-CZ 4.03Å; K376-F435 VanDerWaalsContact CE-CD1 3.48Å; K376-F435 HydrophobicContact CG-CD2 4.26Å; K376-F435 HydrophobicContact CG-CE2 4.36Å; E384-F435 VanDerWaalsContact C-CB 3.49Å; E384-F435 HydrophobicContact CB-CB 3.81Å; E384-F435 HydrophobicContact CB-CD1 3.99Å; E384-F435 HydrophobicContact CB-CG 4.21Å; E384-F435 WeakPolarHBondContact O-CB 3.43Å; E384-F435 PolarHBondContact O-N 3.49Å; E384-F435 VanDerWaalsContact O-N 3.15Å; E384-F435 WeakPolarHBondContact OE2-CD1 3.41Å; F435-P437 HydrophobicContact CD1-CB 4.42Å; F435-P437 HydrophobicContact CE1-CB 3.86Å
436	V	97.3	Very high	94.9	Very high	10 Å²	10	34.8 Å²	34.8	6%	0.061	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-101.8	116.3	177.8	-179.4	0	0	0	0	108.8	V417 D434 L491 L492	V417-V436 HydrophobicContact CG1-CG2 4.37Å; V417-V436 HydrophobicContact CG2-CG2 4.13Å; D434-V436 PolarHBondContact O-N 3Å; V436-L491 HydrophobicContact CB-CB 3.88Å; V436-L491 HydrophobicContact CB-CD1 3.91Å; V436-L491 HydrophobicContact CG1-CB 3.51Å; V436-L491 HydrophobicContact CG1-CD1 4.49Å; V436-L491 HydrophobicContact CG2-CB 4.39Å; V436-L491 HydrophobicContact CG2-CD1 4.2Å; V436-L492 VanDerWaalsContact CG1-C 3.44Å; V436-L492 WeakPolarHBondContact CG1-O 3.36Å
437	P	96.5	Very high	95.3	Very high	58 Å²	58	33 Å²	33	38%	0.377	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-19	-154.3	29.9	-38.4	0	0	0	117.6	F435 N494	F435-P437 HydrophobicContact CD1-CB 4.42Å; F435-P437 HydrophobicContact CE1-CB 3.86Å; P437-N494 VanDerWaalsContact CG-OD1 3.25Å; P437-N494 WeakPolarHBondContact CG-OD1 3.4Å
438	N	96.8	Very high	95.5	Very high	34 Å²	34	40.1 Å²	40.1	18%	0.182	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	36.7	-168.4	-169.9	19.6	0	0	0	112.3	H444 L492 D493 F496	N438-H444 PolarHBondContact O-NE2 3.16Å; N438-H444 PolarHBondContact OD1-CE1 2.64Å; N438-H444 PolarHBondContact OD1-NE2 2.9Å; N438-H444 VanDerWaalsContact OD1-NE2 3.11Å; N438-L492 WeakPolarHBondContact CA-O 3.33Å; N438-L492 HydrophobicContact CB-CB 4.18Å; N438-L492 WeakPolarHBondContact CB-O 3.45Å; N438-L492 PolarHBondContact N-O 3.23Å; N438-D493 VanDerWaalsContact CB-O 3.26Å; N438-D493 WeakPolarHBondContact CB-O 3.49Å; N438-D493 PolarHBondContact ND2-O 3.41Å; N438-F496 WeakPolarHBondContact ND2-CZ 3.49Å
439	D	95.9	Very high	95.7	Very high	71 Å²	71	42.1 Å²	42.1	38%	0.38	23%	0.226	S	C	.	.			trans	54.9	-155.6	178.2	-151.6	-57.8	0	0	0	113.3	H443 L491 L492	D439-H443 HydrophobicContact CB-CB 4.04Å; D439-H443 VanDerWaalsContact OD1-CB 3.31Å; D439-H443 WeakPolarHBondContact OD1-CB 3.48Å; D439-H443 IonicContact OD1-CG 3.29Å; D439-H443 IonicContact OD1-ND1 3.06Å; D439-H443 IonicContact OD2-CE1 3.36Å; D439-H443 PolarHBondContact OD2-CE1 3.18Å; D439-H443 IonicContact OD2-CG 2.69Å; D439-H443 IonicContact OD2-ND1 2.75Å; D439-H443 PolarHBondContact OD2-ND1 2.88Å; D439-L491 CarbonylContact O-C 3.52Å; D439-L491 WeakPolarHBondContact O-CA 3.44Å; D439-L492 PolarHBondContact O-N 3.06Å
440	T	97.3	Very high	95.7	Very high	25 Å²	25	43.9 Å²	43.9	15%	0.153	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-98	151.8	-175.8	55.6	0	0	0	0	110.8	H442 H443 H444 S488 I490 L491	T440-H442 PolarHBondContact O-N 3.35Å; T440-H443 WeakPolarHBondContact O-CB 3.43Å; T440-H443 PolarHBondContact O-N 3.29Å; T440-H443 WeakPolarHBondContact OG1-CB 3.16Å; T440-H443 PolarHBondContact OG1-N 2.98Å; T440-H443 VanDerWaalsContact OG1-N 3.09Å; T440-H444 PolarHBondContact O-CD2 3.01Å; T440-H444 PolarHBondContact O-N 3.41Å; T440-S488 VanDerWaalsContact CG2-O 3.3Å; T440-S488 WeakPolarHBondContact CG2-O 3.46Å; T440-I490 CarbonylContact C-O 3.57Å; T440-I490 WeakPolarHBondContact CA-O 3.25Å; T440-L491 HydrophobicContact CG2-CD2 3.53Å
441	L	98.4	Very high	95.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-55.5	-33.5	168.2	173.8	59.9	0	0	0	111.8	H443 H444 L445 L453 I461 S487 I490 V549 L553	L441-H443 VanDerWaalsContact C-N 3.32Å; L441-H443 PolarHBondContact O-N 3.49Å; L441-H444 PolarHBondContact O-N 2.99Å; L441-L445 HydrophobicContact CD1-CD1 3.78Å; L441-L445 HydrophobicContact CD1-CD2 4.47Å; L441-L445 HydrophobicContact CD1-CG 3.78Å; L441-L445 HydrophobicContact CD2-CD1 4.39Å; L441-L445 HydrophobicContact CG-CD1 3.88Å; L441-L445 HydrophobicContact CG-CG 4.29Å; L441-L445 PolarHBondContact O-N 2.88Å; L441-L453 HydrophobicContact CD1-CD2 3.75Å; L441-I461 HydrophobicContact CD1-CD1 4.31Å; L441-I461 HydrophobicContact CD1-CG2 4.15Å; L441-I461 HydrophobicContact CD2-CG2 3.87Å; L441-I461 HydrophobicContact CG-CG2 4.47Å; L441-S487 WeakPolarHBondContact CB-O 3.23Å; L441-S487 PolarHBondContact N-O 2.79Å; L441-I490 HydrophobicContact CB-CB 4.2Å; L441-I490 HydrophobicContact CB-CG2 4.2Å; L441-I490 HydrophobicContact CD2-CD1 4.29Å; L441-I490 PolarHBondContact N-O 3.13Å; L441-V549 HydrophobicContact CD2-CG1 3.83Å; L441-L553 HydrophobicContact CD1-CD2 3.77Å; L441-L553 HydrophobicContact CD2-CD1 4.42Å; L441-L553 HydrophobicContact CD2-CD2 4.03Å; L441-L553 HydrophobicContact CD2-CG 4.26Å; L441-L553 HydrophobicContact CG-CD2 4.48Å
442	H	97.4	Very high	95.7	Very high	65 Å²	65	51.1 Å²	51.1	30%	0.301	28%	0.282	S	S	.	.	H	α-helix	trans	-59.5	-40.9	174.8	-163.3	89.8	0	0	0	112.5	T440 H446 S487	T440-H442 PolarHBondContact O-N 3.35Å; H442-H446 AromaticContact CE1-CD2 3.46Å; H442-H446 PolarHBondContact CE1-CD2 3.15Å; H442-H446 VanDerWaalsContact CE1-CD2 3.46Å; H442-H446 AromaticContact CG-CD2 3.84Å; H442-H446 AromaticContact ND1-CD2 3.45Å; H442-H446 PolarHBondContact ND1-CD2 2.8Å; H442-H446 AromaticContact NE2-CD2 3.86Å; H442-H446 VanDerWaalsContact O-CB 3.3Å; H442-H446 WeakPolarHBondContact O-CB 3.31Å; H442-H446 PolarHBondContact O-N 3.05Å; H442-S487 PolarHBondContact N-O 2.96Å; H442-S487 PolarHBondContact ND1-OG 3.38Å
443	H	96.5	Very high	95.8	Very high	70 Å²	70	51.6 Å²	51.6	32%	0.324	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-49.2	175.9	-169.5	132	0	0	0	110.8	D439 T440 L441 L445 G447 M450	D439-H443 HydrophobicContact CB-CB 4.04Å; D439-H443 VanDerWaalsContact OD1-CB 3.31Å; D439-H443 WeakPolarHBondContact OD1-CB 3.48Å; D439-H443 IonicContact OD1-CG 3.29Å; D439-H443 IonicContact OD1-ND1 3.06Å; D439-H443 IonicContact OD2-CE1 3.36Å; D439-H443 PolarHBondContact OD2-CE1 3.18Å; D439-H443 IonicContact OD2-CG 2.69Å; D439-H443 IonicContact OD2-ND1 2.75Å; D439-H443 PolarHBondContact OD2-ND1 2.88Å; T440-H443 WeakPolarHBondContact O-CB 3.43Å; T440-H443 PolarHBondContact O-N 3.29Å; T440-H443 WeakPolarHBondContact OG1-CB 3.16Å; T440-H443 PolarHBondContact OG1-N 2.98Å; T440-H443 VanDerWaalsContact OG1-N 3.09Å; L441-H443 VanDerWaalsContact C-N 3.32Å; L441-H443 PolarHBondContact O-N 3.49Å; H443-L445 PolarHBondContact O-N 2.95Å; H443-G447 WeakPolarHBondContact O-CA 3.28Å; H443-G447 PolarHBondContact O-N 3.18Å; H443-M450 PolarHBondContact NE2-SD 3.14Å; H443-M450 VanDerWaalsContact NE2-SD 3.44Å
444	H	97.7	Very high	95.8	Very high	15 Å²	15	56.2 Å²	56.2	7%	0.069	31%	0.306	C	S	.	.	H	α-helix	trans	-68	-32.9	-177.5	-72.4	-88.1	0	0	0	114.1	N438 T440 L441 L453 F496	N438-H444 PolarHBondContact O-NE2 3.16Å; N438-H444 PolarHBondContact OD1-CE1 2.64Å; N438-H444 PolarHBondContact OD1-NE2 2.9Å; N438-H444 VanDerWaalsContact OD1-NE2 3.11Å; T440-H444 PolarHBondContact O-CD2 3.01Å; T440-H444 PolarHBondContact O-N 3.41Å; L441-H444 PolarHBondContact O-N 2.99Å; H444-L453 HydrophobicContact CB-CD1 4.44Å; H444-L453 HydrophobicContact CB-CD2 4.32Å; H444-F496 AromaticContact CE1-CE1 3.77Å; H444-F496 AromaticContact ND1-CE1 3.83Å
445	L	97.4	Very high	95.9	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-81.1	-39.5	177.6	-68.7	177.3	0	0	0	113.4	L441 H443 L453 E552 L553 R595	L441-L445 HydrophobicContact CD1-CD1 3.78Å; L441-L445 HydrophobicContact CD1-CD2 4.47Å; L441-L445 HydrophobicContact CD1-CG 3.78Å; L441-L445 HydrophobicContact CD2-CD1 4.39Å; L441-L445 HydrophobicContact CG-CD1 3.88Å; L441-L445 HydrophobicContact CG-CG 4.29Å; L441-L445 PolarHBondContact O-N 2.88Å; H443-L445 PolarHBondContact O-N 2.95Å; L445-L453 HydrophobicContact CD2-CB 4.41Å; L445-L453 HydrophobicContact CD2-CD2 3.93Å; L445-L453 HydrophobicContact CG-CD2 4.43Å; L445-E552 HydrophobicContact CD1-CB 3.82Å; L445-L553 HydrophobicContact CD1-CD2 4.3Å; L445-L553 HydrophobicContact CD2-CD2 4.48Å; L445-R595 PolarHBondContact O-NH1 3.13Å; L445-R595 VanDerWaalsContact O-NH1 3.14Å
446	H	95.6	Very high	95.8	Very high	30 Å²	30	56.2 Å²	56.2	14%	0.139	31%	0.314	C	S	.	.	H	α-helix	trans	-123.7	-2.2	-162.7	-54.1	-58.4	0	0	0	115.2	H442 E552 R557 K558	H442-H446 AromaticContact CE1-CD2 3.46Å; H442-H446 PolarHBondContact CE1-CD2 3.15Å; H442-H446 VanDerWaalsContact CE1-CD2 3.46Å; H442-H446 AromaticContact CG-CD2 3.84Å; H442-H446 AromaticContact ND1-CD2 3.45Å; H442-H446 PolarHBondContact ND1-CD2 2.8Å; H442-H446 AromaticContact NE2-CD2 3.86Å; H442-H446 VanDerWaalsContact O-CB 3.3Å; H442-H446 WeakPolarHBondContact O-CB 3.31Å; H442-H446 PolarHBondContact O-N 3.05Å; H446-E552 IonicContact CD2-OE1 2.98Å; H446-E552 IonicContact CE1-OE1 2.66Å; H446-E552 IonicContact NE2-OE1 3.09Å; H446-E552 PolarHBondContact NE2-OE1 2.86Å; H446-R557 PolarHBondContact CE1-O 2.78Å; H446-K558 WeakPolarHBondContact ND1-CG 3.47Å
447	G	93.7	Very high	95.8	Very high	27 Å²	27	56.3 Å²	56.3	28%	0.278	32%	0.316	S	S	.	.	S	Bend	trans	-66	143.5	177.3	0	0	0	0	0	112.4	H443 G449	H443-G447 WeakPolarHBondContact O-CA 3.28Å; H443-G447 PolarHBondContact O-N 3.18Å; G447-G449 PolarHBondContact O-N 3.18Å
448	R	91.2	Very high	95.8	Very high	256 Å²	256	53.5 Å²	53.5	97%	0.966	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	120	-179.6	-71.2	-173	175.9	-157.7	-0.7	110.4	M450	R448-M450 VanDerWaalsContact C-N 3.3Å
449	G	91.7	Very high	95.8	Very high	84 Å²	84	53.1 Å²	53.1	87%	0.866	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	10.3	177.6	0	0	0	0	0	114.6	G447	G447-G449 PolarHBondContact O-N 3.18Å
450	M	93.1	Very high	95.9	Very high	62 Å²	62	53 Å²	53	31%	0.305	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-67.1	145.7	171.5	-72.2	-58.9	-73.7	0	0	111.2	H443 R448	H443-M450 PolarHBondContact NE2-SD 3.14Å; H443-M450 VanDerWaalsContact NE2-SD 3.44Å; R448-M450 VanDerWaalsContact C-N 3.3Å
451	P	94.4	Very high	95.9	Very high	100 Å²	100	51.8 Å²	51.8	65%	0.649	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-61.1	159.1	167.4	29.4	-35.8	0	0	0	110.5	L453	P451-L453 PolarHBondContact O-N 2.96Å
452	V	95.4	Very high	95.9	Very high	52 Å²	52	51.8 Å²	51.8	32%	0.315	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-65.4	127.6	175.2	-173.1	0	0	0	0	108.8	E454 R595 L596	V452-E454 PolarHBondContact O-N 2.8Å; V452-E454 VanDerWaalsContact O-N 3.15Å; V452-R595 HydrophobicContact CG1-CB 3.88Å; V452-R595 HydrophobicContact CG2-CB 3.75Å; V452-L596 HydrophobicContact CG1-CD2 4.19Å
453	L	96.8	Very high	95.9	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.052	27%	0.273	C	S	.	.			trans	-66.9	114.1	173.7	-175.9	61.9	0	0	0	109.3	L441 H444 L445 P451 A457 R458 I461 F496 L553	L441-L453 HydrophobicContact CD1-CD2 3.75Å; H444-L453 HydrophobicContact CB-CD1 4.44Å; H444-L453 HydrophobicContact CB-CD2 4.32Å; L445-L453 HydrophobicContact CD2-CB 4.41Å; L445-L453 HydrophobicContact CD2-CD2 3.93Å; L445-L453 HydrophobicContact CG-CD2 4.43Å; P451-L453 PolarHBondContact O-N 2.96Å; L453-A457 HydrophobicContact CD1-CB 3.74Å; L453-A457 HydrophobicContact CG-CB 4.32Å; L453-R458 HydrophobicContact CD2-CG 4.03Å; L453-R458 HydrophobicContact CG-CG 3.97Å; L453-R458 PolarHBondContact O-NE 3Å; L453-R458 PolarHBondContact O-NH2 3.05Å; L453-I461 HydrophobicContact CD1-CD1 4.34Å; L453-I461 HydrophobicContact CD2-CD1 4.01Å; L453-F496 HydrophobicContact CD1-CD1 3.92Å; L453-F496 HydrophobicContact CD1-CE1 3.79Å; L453-L553 HydrophobicContact CD2-CD2 4.42Å
454	E	96.5	Very high	96	Very high	112 Å²	112	45.5 Å²	45.5	52%	0.523	26%	0.257	S	S	.	.			trans	-56.6	144.4	-178	-72.2	-61.6	158.8	0	0	113	V452 S456 A457 R458	V452-E454 PolarHBondContact O-N 2.8Å; V452-E454 VanDerWaalsContact O-N 3.15Å; E454-S456 VanDerWaalsContact C-N 3.32Å; E454-S456 PolarHBondContact O-N 3.04Å; E454-A457 WeakPolarHBondContact O-CA 3.25Å; E454-A457 WeakPolarHBondContact O-CB 3.49Å; E454-A457 PolarHBondContact O-N 3.49Å; E454-R458 WeakPolarHBondContact O-CG 3.4Å; E454-R458 PolarHBondContact O-N 3.07Å
455	W	96.8	Very high	96	Very high	8 Å²	8	44.8 Å²	44.8	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-56.1	-43.6	-175	174.5	-106.7	0	0	0	113.3	A457 R458 V459 L596 N599 F600 E604 M605 M608	W455-A457 VanDerWaalsContact C-N 3.27Å; W455-A457 PolarHBondContact O-N 2.95Å; W455-R458 HydrophobicContact CE3-CB 4.28Å; W455-R458 HydrophobicContact CZ3-CB 4.45Å; W455-R458 WeakPolarHBondContact O-CA 3.48Å; W455-R458 WeakPolarHBondContact O-CB 3.32Å; W455-R458 PolarHBondContact O-N 3.5Å; W455-V459 HydrophobicContact CD2-CG2 4.14Å; W455-V459 HydrophobicContact CH2-CG2 4.17Å; W455-V459 HydrophobicContact CZ2-CG2 3.4Å; W455-V459 VanDerWaalsContact CZ2-CG2 3.4Å; W455-V459 PolarHBondContact O-N 3.12Å; W455-L596 HydrophobicContact CB-CD2 4.37Å; W455-L596 HydrophobicContact CE3-CD1 4.18Å; W455-N599 VanDerWaalsContact CB-O 3.23Å; W455-N599 WeakPolarHBondContact CB-O 3.31Å; W455-F600 HydrophobicContact CB-CB 3.82Å; W455-F600 HydrophobicContact CD2-CB 3.6Å; W455-F600 HydrophobicContact CE3-CB 4.13Å; W455-F600 HydrophobicContact CG-CB 3.4Å; W455-F600 VanDerWaalsContact CG-CB 3.4Å; W455-E604 HydrophobicContact CZ2-CB 3.85Å; W455-E604 PolarHBondContact NE1-OE2 2.97Å; W455-M605 HydrophobicContact CD2-CE 4.26Å; W455-M605 HydrophobicContact CE3-CE 3.57Å; W455-M605 HydrophobicContact CH2-CB 4.22Å; W455-M605 HydrophobicContact CH2-CE 3.69Å; W455-M605 HydrophobicContact CH2-SD 3.68Å; W455-M605 HydrophobicContact CZ2-CB 4.15Å; W455-M605 HydrophobicContact CZ2-CE 4.35Å; W455-M605 HydrophobicContact CZ3-CE 3.25Å; W455-M605 HydrophobicContact CZ3-SD 3.74Å; W455-M608 HydrophobicContact CH2-CB 4.2Å; W455-M608 HydrophobicContact CH2-CE 3.52Å; W455-M608 HydrophobicContact CH2-SD 3.77Å; W455-M608 HydrophobicContact CZ2-CE 4.02Å; W455-M608 HydrophobicContact CZ3-CE 4.15Å; W455-M608 HydrophobicContact CZ3-SD 4.19Å
456	S	95.3	Very high	96.1	Very high	88 Å²	88	44.7 Å²	44.7	62%	0.615	25%	0.253	S	S	*	.	H	α-helix	trans	-60.7	-35.3	177.6	56.4	0	0	0	0	112.7	E454 K460	E454-S456 VanDerWaalsContact C-N 3.32Å; E454-S456 PolarHBondContact O-N 3.04Å; S456-K460 VanDerWaalsContact O-CB 3.29Å; S456-K460 WeakPolarHBondContact O-CB 3.48Å; S456-K460 PolarHBondContact O-N 2.93Å
457	A	96.8	Very high	96.2	Very high	12 Å²	12	46.3 Å²	46.3	10%	0.099	26%	0.258	C	S	.	.	H	α-helix	trans	-68.9	-39.1	172.3	0	0	0	0	0	111.3	L453 E454 W455 K460 I461 F496	L453-A457 HydrophobicContact CD1-CB 3.74Å; L453-A457 HydrophobicContact CG-CB 4.32Å; E454-A457 WeakPolarHBondContact O-CA 3.25Å; E454-A457 WeakPolarHBondContact O-CB 3.49Å; E454-A457 PolarHBondContact O-N 3.49Å; W455-A457 VanDerWaalsContact C-N 3.27Å; W455-A457 PolarHBondContact O-N 2.95Å; A457-K460 PolarHBondContact O-N 3.16Å; A457-I461 WeakPolarHBondContact O-CB 3.23Å; A457-I461 WeakPolarHBondContact O-CD1 3.21Å; A457-I461 WeakPolarHBondContact O-CG1 3.25Å; A457-I461 PolarHBondContact O-N 3.32Å; A457-F496 HydrophobicContact CB-CB 4.35Å; A457-F496 HydrophobicContact CB-CD1 4.35Å; A457-F496 HydrophobicContact CB-CG 4.35Å
458	R	97.9	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-46.9	175.8	-57	-165.4	-162.9	-158.1	-0.3	112.3	L453 E454 W455 I461 A462 L553 D593	L453-R458 HydrophobicContact CD2-CG 4.03Å; L453-R458 HydrophobicContact CG-CG 3.97Å; L453-R458 PolarHBondContact O-NE 3Å; L453-R458 PolarHBondContact O-NH2 3.05Å; E454-R458 WeakPolarHBondContact O-CG 3.4Å; E454-R458 PolarHBondContact O-N 3.07Å; W455-R458 HydrophobicContact CE3-CB 4.28Å; W455-R458 HydrophobicContact CZ3-CB 4.45Å; W455-R458 WeakPolarHBondContact O-CA 3.48Å; W455-R458 WeakPolarHBondContact O-CB 3.32Å; W455-R458 PolarHBondContact O-N 3.5Å; R458-I461 PolarHBondContact O-N 3Å; R458-A462 WeakPolarHBondContact O-CB 3.45Å; R458-A462 PolarHBondContact O-N 3Å; R458-L553 HydrophobicContact CB-CD2 3.97Å; R458-L553 WeakPolarHBondContact CD-O 2.87Å; R458-L553 HydrophobicContact CG-CD2 4.11Å; R458-L553 PolarHBondContact NH1-O 3.26Å; R458-D593 IonicContact CZ-OD2 3.85Å; R458-D593 VanDerWaalsContact CZ-OD2 3.25Å; R458-D593 IonicContact NH1-OD2 2.9Å; R458-D593 PolarHBondContact NH1-OD2 2.81Å; R458-D593 IonicContact NH2-OD2 2.64Å; R458-D593 PolarHBondContact NH2-OD2 2.93Å
459	V	96.6	Very high	96.7	Very high	25 Å²	25	32.9 Å²	32.9	15%	0.152	20%	0.199	C	C	.	.	H	α-helix	trans	-60	-48.5	175.3	177.3	0	0	0	0	110.8	W455 I461 A462 A463 E604 M608	W455-V459 HydrophobicContact CD2-CG2 4.14Å; W455-V459 HydrophobicContact CH2-CG2 4.17Å; W455-V459 HydrophobicContact CZ2-CG2 3.4Å; W455-V459 VanDerWaalsContact CZ2-CG2 3.4Å; W455-V459 PolarHBondContact O-N 3.12Å; V459-I461 VanDerWaalsContact C-N 3.34Å; V459-I461 PolarHBondContact O-N 3.34Å; V459-A462 PolarHBondContact O-N 2.94Å; V459-A463 WeakPolarHBondContact O-CB 3.31Å; V459-A463 PolarHBondContact O-N 3.41Å; V459-E604 HydrophobicContact CG2-CB 4.44Å; V459-M608 HydrophobicContact CB-CE 4.32Å; V459-M608 HydrophobicContact CG2-CE 3.81Å
460	K	96.5	Very high	97	Very high	68 Å²	68	29.4 Å²	29.4	30%	0.296	16%	0.163	S	C	.	.	H	α-helix	trans	-58.3	-44	178.7	-177.6	177	178.9	174.2	0	112.7	S456 A457 G464 N495 E497	S456-K460 VanDerWaalsContact O-CB 3.29Å; S456-K460 WeakPolarHBondContact O-CB 3.48Å; S456-K460 PolarHBondContact O-N 2.93Å; A457-K460 PolarHBondContact O-N 3.16Å; K460-G464 PolarHBondContact O-N 2.88Å; K460-N495 WeakPolarHBondContact CE-O 3.4Å; K460-N495 PolarHBondContact NZ-O 3.3Å; K460-E497 WeakPolarHBondContact CE-OE1 3.47Å; K460-E497 IonicContact NZ-OE1 3.74Å; K460-E497 PolarHBondContact NZ-OE1 2.86Å
461	I	98.4	Very high	97.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.3	-42.3	179.2	-70.7	164.2	0	0	0	111.1	L441 L453 A457 R458 V459 S465 I490 L492 F496 A498	L441-I461 HydrophobicContact CD1-CD1 4.31Å; L441-I461 HydrophobicContact CD1-CG2 4.15Å; L441-I461 HydrophobicContact CD2-CG2 3.87Å; L441-I461 HydrophobicContact CG-CG2 4.47Å; L453-I461 HydrophobicContact CD1-CD1 4.34Å; L453-I461 HydrophobicContact CD2-CD1 4.01Å; A457-I461 WeakPolarHBondContact O-CB 3.23Å; A457-I461 WeakPolarHBondContact O-CD1 3.21Å; A457-I461 WeakPolarHBondContact O-CG1 3.25Å; A457-I461 PolarHBondContact O-N 3.32Å; R458-I461 PolarHBondContact O-N 3Å; V459-I461 VanDerWaalsContact C-N 3.34Å; V459-I461 PolarHBondContact O-N 3.34Å; I461-S465 VanDerWaalsContact O-CB 3.24Å; I461-S465 WeakPolarHBondContact O-CB 3.44Å; I461-S465 PolarHBondContact O-N 2.7Å; I461-S465 PolarHBondContact O-OG 2.94Å; I461-I490 HydrophobicContact CG2-CG2 4.37Å; I461-L492 HydrophobicContact CD1-CD1 3.73Å; I461-L492 HydrophobicContact CD1-CD2 3.83Å; I461-L492 HydrophobicContact CD1-CG 4.47Å; I461-L492 HydrophobicContact CG1-CD2 3.76Å; I461-L492 HydrophobicContact CG2-CD2 4.16Å; I461-F496 HydrophobicContact CD1-CB 4.39Å; I461-F496 HydrophobicContact CD1-CD1 4.24Å; I461-A498 HydrophobicContact CB-CB 4.47Å; I461-A498 HydrophobicContact CG2-CB 4.12Å
462	A	98.4	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.8	-52.9	174.1	0	0	0	0	0	110.9	R458 V459 S465 A466 F546 L550 L553 M608 L633	R458-A462 WeakPolarHBondContact O-CB 3.45Å; R458-A462 PolarHBondContact O-N 3Å; V459-A462 PolarHBondContact O-N 2.94Å; A462-S465 PolarHBondContact O-N 2.88Å; A462-A466 VanDerWaalsContact O-CB 3.27Å; A462-A466 WeakPolarHBondContact O-CB 3.44Å; A462-A466 PolarHBondContact O-N 3.32Å; A462-F546 WeakPolarHBondContact O-CZ 3.49Å; A462-L550 HydrophobicContact CB-CD2 3.72Å; A462-L553 HydrophobicContact CB-CD1 3.91Å; A462-M608 HydrophobicContact CB-CE 4Å; A462-L633 HydrophobicContact CB-CD1 4Å; A462-L633 HydrophobicContact CB-CD2 4.19Å
463	A	97.4	Very high	97.4	Very high	4 Å²	4	22 Å²	22	3%	0.033	11%	0.114	C	C	.	.	H	α-helix	trans	-63.6	-43.9	-178.2	0	0	0	0	0	112.6	V459 A466 R467 L633 D634	V459-A463 WeakPolarHBondContact O-CB 3.31Å; V459-A463 PolarHBondContact O-N 3.41Å; A463-A466 PolarHBondContact O-N 2.84Å; A463-R467 WeakPolarHBondContact O-CG 3.47Å; A463-R467 PolarHBondContact O-N 3.18Å; A463-L633 HydrophobicContact CB-CB 4.01Å; A463-D634 WeakPolarHBondContact CB-OD1 3.36Å
464	G	97.9	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.6	-48.3	175.8	0	0	0	0	0	112.7	H415 K460 A466 R467 G468	H415-G464 WeakPolarHBondContact CB-O 3.27Å; K460-G464 PolarHBondContact O-N 2.88Å; G464-A466 VanDerWaalsContact C-N 3.33Å; G464-A466 PolarHBondContact O-N 3Å; G464-R467 PolarHBondContact O-N 3.11Å; G464-G468 PolarHBondContact O-N 2.62Å
465	S	98.6	Very high	97.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60	-44.1	176	-56.2	0	0	0	0	111.5	I461 A462 R467 G468 I469 A498	I461-S465 VanDerWaalsContact O-CB 3.24Å; I461-S465 WeakPolarHBondContact O-CB 3.44Å; I461-S465 PolarHBondContact O-N 2.7Å; I461-S465 PolarHBondContact O-OG 2.94Å; A462-S465 PolarHBondContact O-N 2.88Å; S465-R467 VanDerWaalsContact C-N 3.35Å; S465-R467 PolarHBondContact O-N 3.48Å; S465-G468 PolarHBondContact O-N 3.39Å; S465-G468 VanDerWaalsContact O-N 3.16Å; S465-I469 WeakPolarHBondContact O-CG1 3.39Å; S465-I469 PolarHBondContact O-N 3.07Å; S465-A498 WeakPolarHBondContact OG-CB 3.18Å
466	A	98.5	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.1	-41.3	178	0	0	0	0	0	112.1	A462 A463 G464 I469 A470 F546 M626 V629 V630 L633	A462-A466 VanDerWaalsContact O-CB 3.27Å; A462-A466 WeakPolarHBondContact O-CB 3.44Å; A462-A466 PolarHBondContact O-N 3.32Å; A463-A466 PolarHBondContact O-N 2.84Å; G464-A466 VanDerWaalsContact C-N 3.33Å; G464-A466 PolarHBondContact O-N 3Å; A466-I469 PolarHBondContact O-N 3.01Å; A466-A470 VanDerWaalsContact O-CB 3.29Å; A466-A470 WeakPolarHBondContact O-CB 3.1Å; A466-A470 PolarHBondContact O-N 3.26Å; A466-F546 HydrophobicContact CB-CE1 3.94Å; A466-F546 HydrophobicContact CB-CZ 3.83Å; A466-M626 HydrophobicContact CB-CE 3.73Å; A466-V629 HydrophobicContact CB-CG1 4.46Å; A466-V630 HydrophobicContact CB-CG2 3.65Å; A466-V630 WeakPolarHBondContact O-CG2 3.49Å; A466-L633 HydrophobicContact CB-CD1 3.84Å
467	R	98.2	Very high	96.8	Very high	65 Å²	65	26.8 Å²	26.8	25%	0.245	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-42.5	172.9	-76.6	-174.3	-69.2	-86.4	3.2	112.1	H415 A463 G464 S465 I469 A470 Y471 V630 D634	H415-R467 PolarHBondContact CD2-NE 2.86Å; H415-R467 PolarHBondContact NE2-NE 3.13Å; H415-R467 PolarHBondContact NE2-NH2 3.44Å; A463-R467 WeakPolarHBondContact O-CG 3.47Å; A463-R467 PolarHBondContact O-N 3.18Å; G464-R467 PolarHBondContact O-N 3.11Å; S465-R467 VanDerWaalsContact C-N 3.35Å; S465-R467 PolarHBondContact O-N 3.48Å; R467-I469 PolarHBondContact O-N 3.42Å; R467-A470 PolarHBondContact O-N 3.45Å; R467-Y471 PolarHBondContact O-N 2.86Å; R467-Y471 VanDerWaalsContact O-N 3.08Å; R467-V630 HydrophobicContact CG-CG1 3.79Å; R467-V630 HydrophobicContact CG-CG2 4Å; R467-D634 IonicContact CZ-OD1 2.82Å; R467-D634 IonicContact CZ-OD2 3.79Å; R467-D634 IonicContact NH1-OD1 2.81Å; R467-D634 PolarHBondContact NH1-OD1 2.96Å; R467-D634 IonicContact NH1-OD2 3.93Å; R467-D634 PolarHBondContact NH1-OD2 3.44Å
468	G	98	Very high	96.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.3	-48.1	175.3	0	0	0	0	0	112.5	G464 S465 L472	G464-G468 PolarHBondContact O-N 2.62Å; S465-G468 PolarHBondContact O-N 3.39Å; S465-G468 VanDerWaalsContact O-N 3.16Å; G468-L472 PolarHBondContact O-N 2.94Å
469	I	98.4	Very high	96.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-73.6	-37.1	-179.3	-53.5	164.2	0	0	0	111.4	S465 A466 R467 Y471 L472 H473 I485 V500 D542 F546 M626	S465-I469 WeakPolarHBondContact O-CG1 3.39Å; S465-I469 PolarHBondContact O-N 3.07Å; A466-I469 PolarHBondContact O-N 3.01Å; R467-I469 PolarHBondContact O-N 3.42Å; I469-Y471 VanDerWaalsContact C-N 3.34Å; I469-Y471 PolarHBondContact O-N 3.06Å; I469-L472 WeakPolarHBondContact O-CB 3.39Å; I469-L472 PolarHBondContact O-N 3.48Å; I469-L472 VanDerWaalsContact O-N 3.17Å; I469-H473 WeakPolarHBondContact CG2-CE1 3.26Å; I469-H473 PolarHBondContact O-N 2.91Å; I469-I485 HydrophobicContact CD1-CD1 3.86Å; I469-I485 HydrophobicContact CD1-CG1 4.08Å; I469-I485 HydrophobicContact CD1-CG2 3.85Å; I469-I485 HydrophobicContact CG1-CD1 3.84Å; I469-I485 HydrophobicContact CG1-CG1 4.45Å; I469-V500 HydrophobicContact CG1-CG2 4.28Å; I469-D542 HydrophobicContact CG2-CB 4.45Å; I469-F546 HydrophobicContact CD1-CB 4Å; I469-F546 HydrophobicContact CD1-CD2 3.58Å; I469-F546 HydrophobicContact CD1-CE2 4.36Å; I469-F546 HydrophobicContact CD1-CG 3.9Å; I469-M626 HydrophobicContact CB-CE 4.22Å; I469-M626 HydrophobicContact CB-CG 4.26Å; I469-M626 HydrophobicContact CD1-CE 4.42Å; I469-M626 HydrophobicContact CG2-CG 3.79Å; I469-M626 HydrophobicContact CG2-SD 4.44Å
470	A	98	Very high	96.3	Very high	12 Å²	12	28.8 Å²	28.8	10%	0.099	14%	0.139	C	C	.	.	H	α-helix	trans	-57.9	-45.5	175.3	0	0	0	0	0	112	A466 R467 L472 H473 E474 M626 V630	A466-A470 VanDerWaalsContact O-CB 3.29Å; A466-A470 WeakPolarHBondContact O-CB 3.1Å; A466-A470 PolarHBondContact O-N 3.26Å; R467-A470 PolarHBondContact O-N 3.45Å; A470-L472 VanDerWaalsContact C-N 3.32Å; A470-L472 PolarHBondContact O-N 3.28Å; A470-H473 PolarHBondContact O-N 2.8Å; A470-H473 VanDerWaalsContact O-N 3.12Å; A470-E474 WeakPolarHBondContact O-CB 3.13Å; A470-E474 PolarHBondContact O-N 3.4Å; A470-M626 HydrophobicContact CB-CB 3.78Å; A470-V630 HydrophobicContact CB-CG2 4.06Å
471	Y	97.6	Very high	96.3	Very high	48 Å²	48	25.6 Å²	25.6	19%	0.188	13%	0.125	C	C	.	.	I	π-helix	trans	-59	-40.9	175.6	170.4	-88.5	0	0	0	112.4	V411 H413 L416 R467 I469 H473 D475 C476	V411-Y471 HydrophobicContact CB-CE1 3.92Å; V411-Y471 HydrophobicContact CG1-CE1 3.93Å; H413-Y471 HydrophobicContact CB-CD1 3.9Å; H413-Y471 HydrophobicContact CB-CD2 4.33Å; H413-Y471 HydrophobicContact CB-CE1 3.86Å; H413-Y471 HydrophobicContact CB-CE2 4.29Å; H413-Y471 HydrophobicContact CB-CG 4.13Å; H413-Y471 AromaticContact CG-CG 3.9Å; L416-Y471 HydrophobicContact CD1-CD1 3.76Å; L416-Y471 HydrophobicContact CD1-CE1 3.93Å; R467-Y471 PolarHBondContact O-N 2.86Å; R467-Y471 VanDerWaalsContact O-N 3.08Å; I469-Y471 VanDerWaalsContact C-N 3.34Å; I469-Y471 PolarHBondContact O-N 3.06Å; Y471-H473 VanDerWaalsContact C-N 3.34Å; Y471-H473 PolarHBondContact O-N 3.48Å; Y471-D475 WeakPolarHBondContact CA-OD2 3.48Å; Y471-D475 HydrophobicContact CD2-CB 3.73Å; Y471-D475 HydrophobicContact CE2-CB 4.21Å; Y471-D475 HydrophobicContact CG-CB 4.33Å; Y471-D475 PolarHBondContact O-N 3.13Å; Y471-C476 WeakPolarHBondContact CE1-SG 3.48Å; Y471-C476 PolarHBondContact O-N 3.29Å; Y471-C476 PolarHBondContact O-SG 2.94Å
472	L	96.7	Very high	96.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	I	π-helix	trans	-64.9	-35.8	175.1	-66.7	175.4	0	0	0	112.9	V411 L416 G468 I469 A470 I480 H482 F503	V411-L472 HydrophobicContact CG1-CD2 4.43Å; L416-L472 HydrophobicContact CD1-CD2 3.62Å; L416-L472 HydrophobicContact CD1-CG 4Å; L416-L472 HydrophobicContact CD2-CD1 3.95Å; L416-L472 HydrophobicContact CD2-CG 4.14Å; G468-L472 PolarHBondContact O-N 2.94Å; I469-L472 WeakPolarHBondContact O-CB 3.39Å; I469-L472 PolarHBondContact O-N 3.48Å; I469-L472 VanDerWaalsContact O-N 3.17Å; A470-L472 VanDerWaalsContact C-N 3.32Å; A470-L472 PolarHBondContact O-N 3.28Å; L472-I480 HydrophobicContact CB-CB 4.17Å; L472-I480 HydrophobicContact CD2-CB 4Å; L472-I480 HydrophobicContact CD2-CD1 3.76Å; L472-I480 HydrophobicContact CD2-CG1 4.49Å; L472-I480 HydrophobicContact CD2-CG2 4.02Å; L472-I480 PolarHBondContact O-N 3.1Å; L472-H482 HydrophobicContact CD1-CB 4.38Å; L472-F503 HydrophobicContact CD1-CE1 3.77Å; L472-F503 HydrophobicContact CD1-CZ 4.16Å; L472-F503 HydrophobicContact CD2-CE1 3.89Å; L472-F503 HydrophobicContact CD2-CZ 4.49Å
473	H	96.7	Very high	96.1	Very high	11 Å²	11	25.9 Å²	25.9	5%	0.051	13%	0.127	C	C	.	.	I	π-helix	trans	-86.8	-32.2	-174.8	-71.1	-176.1	0	0	0	114.6	I469 A470 Y471 R479 I480 E539 D542 M626	I469-H473 WeakPolarHBondContact CG2-CE1 3.26Å; I469-H473 PolarHBondContact O-N 2.91Å; A470-H473 PolarHBondContact O-N 2.8Å; A470-H473 VanDerWaalsContact O-N 3.12Å; Y471-H473 VanDerWaalsContact C-N 3.34Å; Y471-H473 PolarHBondContact O-N 3.48Å; H473-R479 WeakPolarHBondContact O-CB 3.17Å; H473-I480 PolarHBondContact CD2-O 3.49Å; H473-E539 HydrophobicContact CB-CB 4.42Å; H473-E539 PolarHBondContact CE1-O 2.9Å; H473-E539 VanDerWaalsContact CE1-O 3.22Å; H473-D542 IonicContact CD2-OD2 3.78Å; H473-D542 VanDerWaalsContact CE1-CB 3.48Å; H473-D542 WeakPolarHBondContact CE1-CB 3.43Å; H473-D542 IonicContact CE1-OD2 3.86Å; H473-D542 WeakPolarHBondContact NE2-CB 3.26Å; H473-D542 IonicContact NE2-OD2 3.24Å; H473-D542 PolarHBondContact NE2-OD2 3.3Å; H473-M626 WeakPolarHBondContact ND1-CG 3.45Å
474	E	95.6	Very high	96	Very high	52 Å²	52	25.9 Å²	25.9	24%	0.243	13%	0.126	C	C	.	.	I	π-helix	trans	-126.8	-25.5	-163.2	-60.8	-177.4	-114.6	0	0	113.7	A470 R625 M626 S627	A470-E474 WeakPolarHBondContact O-CB 3.13Å; A470-E474 PolarHBondContact O-N 3.4Å; E474-R625 VanDerWaalsContact OE2-CD 3.29Å; E474-R625 WeakPolarHBondContact OE2-CD 3.17Å; E474-R625 IonicContact OE2-NH1 3.69Å; E474-R625 PolarHBondContact OE2-NH1 2.89Å; E474-M626 PolarHBondContact OE1-N 2.97Å; E474-S627 VanDerWaalsContact OE1-CB 3.27Å; E474-S627 WeakPolarHBondContact OE1-CB 3.13Å; E474-S627 PolarHBondContact OE1-N 2.92Å; E474-S627 PolarHBondContact OE1-OG 3.01Å; E474-S627 WeakPolarHBondContact OE2-CB 3.23Å; E474-S627 PolarHBondContact OE2-OG 2.87Å
475	D	94.4	Very high	96.1	Very high	105 Å²	105	25.9 Å²	25.9	56%	0.561	13%	0.126	S	C	*	.	I	π-helix	trans	-100	-33.1	176.9	-60	-42.2	0	0	0	112.8	Y471 H477	Y471-D475 WeakPolarHBondContact CA-OD2 3.48Å; Y471-D475 HydrophobicContact CD2-CB 3.73Å; Y471-D475 HydrophobicContact CE2-CB 4.21Å; Y471-D475 HydrophobicContact CG-CB 4.33Å; Y471-D475 PolarHBondContact O-N 3.13Å; D475-H477 PolarHBondContact O-ND1 3.04Å
476	C	93.1	Very high	96	Very high	13 Å²	13	26.7 Å²	26.7	9%	0.088	13%	0.129	C	C	.	.	S	Bend	trans	-73.5	135.1	179.2	-67.5	0	0	0	0	112.3	V411 Y471 P478 R479 I480	V411-C476 VanDerWaalsContact CG1-SG 3.6Å; Y471-C476 WeakPolarHBondContact CE1-SG 3.48Å; Y471-C476 PolarHBondContact O-N 3.29Å; Y471-C476 PolarHBondContact O-SG 2.94Å; C476-P478 CarbonylContact O-C 3.55Å; C476-R479 WeakPolarHBondContact O-CA 3.47Å; C476-R479 PolarHBondContact O-N 3.02Å; C476-I480 HydrophobicContact CB-CD1 3.88Å; C476-I480 HydrophobicContact CB-CG1 4.14Å
477	H	89.9	Confident	96	Very high	147 Å²	147	26.7 Å²	26.7	68%	0.681	13%	0.129	S	C	*	.	S	Bend	trans	-131.5	116.2	-178.9	-71.7	76.6	0	0	0	110.7	D475	D475-H477 PolarHBondContact O-ND1 3.04Å
478	P	91.8	Very high	95.9	Very high	49 Å²	49	25.8 Å²	25.8	32%	0.318	13%	0.133	S	C	.	.	S	Bend	cis	-62.9	150.4	-8.6	28.6	-35.5	0	0	0	112.3	C476 L508 A509	C476-P478 CarbonylContact O-C 3.55Å; P478-L508 HydrophobicContact CG-CB 4.07Å; P478-L508 HydrophobicContact CG-CD1 4.23Å; P478-L508 HydrophobicContact CG-CD2 4.32Å; P478-L508 HydrophobicContact CG-CG 4.43Å; P478-A509 WeakPolarHBondContact CB-O 3.38Å
479	R	93.8	Very high	95.9	Very high	25 Å²	25	26.3 Å²	26.3	9%	0.094	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	148.4	-177	74.6	-172.3	-175.2	-70.2	-1.5	112.5	H473 C476 A509 M510 D511 V513 E539	H473-R479 WeakPolarHBondContact O-CB 3.17Å; C476-R479 WeakPolarHBondContact O-CA 3.47Å; C476-R479 PolarHBondContact O-N 3.02Å; R479-A509 HydrophobicContact CG-CB 4.07Å; R479-A509 PolarHBondContact N-O 3.37Å; R479-A509 PolarHBondContact NH1-O 3.16Å; R479-A509 PolarHBondContact O-N 3.43Å; R479-M510 PolarHBondContact NH1-O 3.44Å; R479-D511 IonicContact CZ-OD1 2.69Å; R479-D511 IonicContact NH1-OD1 3.43Å; R479-D511 PolarHBondContact NH1-OD1 3.04Å; R479-V513 PolarHBondContact NH2-O 2.95Å; R479-E539 IonicContact CZ-OE2 3.28Å; R479-E539 IonicContact NE-OE2 3.36Å; R479-E539 PolarHBondContact NE-OE2 2.89Å; R479-E539 IonicContact NH2-OE2 2.72Å; R479-E539 PolarHBondContact NH2-OE2 3.34Å
480	I	95	Very high	95.9	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.031	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.1	-172.8	-60.7	163.6	0	0	0	108.9	I407 V411 L472 H473 C476 A506 L508	I407-I480 HydrophobicContact CG2-CB 4.42Å; I407-I480 HydrophobicContact CG2-CD1 3.66Å; I407-I480 HydrophobicContact CG2-CG1 3.87Å; I407-I480 HydrophobicContact CG2-CG2 3.66Å; V411-I480 HydrophobicContact CG1-CD1 3.48Å; V411-I480 VanDerWaalsContact CG1-CD1 3.48Å; L472-I480 HydrophobicContact CB-CB 4.17Å; L472-I480 HydrophobicContact CD2-CB 4Å; L472-I480 HydrophobicContact CD2-CD1 3.76Å; L472-I480 HydrophobicContact CD2-CG1 4.49Å; L472-I480 HydrophobicContact CD2-CG2 4.02Å; L472-I480 PolarHBondContact O-N 3.1Å; H473-I480 PolarHBondContact CD2-O 3.49Å; C476-I480 HydrophobicContact CB-CD1 3.88Å; C476-I480 HydrophobicContact CB-CG1 4.14Å; I480-A506 HydrophobicContact CG2-CB 4.29Å; I480-L508 HydrophobicContact CG1-CD2 3.79Å
481	I	96.2	Very high	95.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.5	170.7	-50.2	167	0	0	0	107.6	A506 R507 A509 V516 L537 T538 E539 D542	I481-A506 CarbonylContact O-C 3.39Å; I481-A506 WeakPolarHBondContact O-CA 3.5Å; I481-R507 PolarHBondContact N-O 2.87Å; I481-R507 PolarHBondContact O-N 3.43Å; I481-A509 HydrophobicContact CD1-CB 3.9Å; I481-A509 HydrophobicContact CG1-CB 4.38Å; I481-V516 HydrophobicContact CD1-CG2 4.18Å; I481-L537 HydrophobicContact CB-CD2 4.38Å; I481-L537 HydrophobicContact CB-CG 4.46Å; I481-L537 HydrophobicContact CD1-CG 4.21Å; I481-L537 HydrophobicContact CG2-CD1 3.82Å; I481-L537 HydrophobicContact CG2-CD2 4.05Å; I481-L537 HydrophobicContact CG2-CG 3.8Å; I481-T538 WeakPolarHBondContact CG2-O 3.49Å; I481-E539 HydrophobicContact CG1-CB 4.47Å; I481-D542 WeakPolarHBondContact CA-OD2 3.38Å; I481-D542 WeakPolarHBondContact CG2-OD2 3.43Å
482	H	96.4	Very high	96	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.			trans	-78	-33.6	-172.2	-168.7	-46.8	0	0	0	113	L472 D484 I485 V500 A501 D502 F503 D542	L472-H482 HydrophobicContact CD1-CB 4.38Å; H482-D484 PolarHBondContact O-N 2.95Å; H482-I485 HydrophobicContact CB-CD1 3.73Å; H482-I485 HydrophobicContact CB-CG1 4.1Å; H482-I485 VanDerWaalsContact CG-CD1 3.5Å; H482-V500 WeakPolarHBondContact NE2-CG1 3.34Å; H482-A501 PolarHBondContact CE1-O 3.47Å; H482-A501 PolarHBondContact NE2-O 3.03Å; H482-D502 PolarHBondContact CE1-O 3.21Å; H482-F503 AromaticContact CD2-CE1 3.88Å; H482-D542 PolarHBondContact N-OD2 3.23Å
483	R	96.3	Very high	96	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.026	14%	0.141	C	C	.	.	S	Bend	trans	68.1	-7.1	169.7	-168.2	-171.7	-179.8	-161.6	-0.2	117	L505 R519 M521 Y531 L537 D542	R483-L505 WeakPolarHBondContact CD-O 3.28Å; R483-L505 PolarHBondContact NH1-O 2.82Å; R483-R519 PolarHBondContact NH2-O 2.97Å; R483-M521 PolarHBondContact NH2-SD 3.4Å; R483-M521 VanDerWaalsContact NH2-SD 3.38Å; R483-Y531 HydrophobicContact CG-CE1 4.12Å; R483-Y531 PolarHBondContact NE-OH 3.07Å; R483-Y531 PolarHBondContact NH2-OH 3.32Å; R483-L537 HydrophobicContact CB-CD1 4.25Å; R483-L537 HydrophobicContact CB-CD2 4.1Å; R483-L537 HydrophobicContact CG-CD1 3.85Å; R483-L537 HydrophobicContact CG-CD2 3.78Å; R483-L537 HydrophobicContact CG-CG 4.48Å; R483-D542 VanDerWaalsContact CA-OD1 3.26Å; R483-D542 WeakPolarHBondContact CA-OD1 3.39Å; R483-D542 PolarHBondContact N-OD1 2.6Å
484	D	96	Very high	95.9	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	17%	0.167	C	C	.	.			trans	-143	39.3	-180	-152.8	21.8	0	0	0	112.7	H482 K486 L505 G522 T523	H482-D484 PolarHBondContact O-N 2.95Å; D484-K486 VanDerWaalsContact CG-NZ 3.31Å; D484-K486 WeakPolarHBondContact O-CG 3.33Å; D484-K486 PolarHBondContact O-N 3.24Å; D484-K486 IonicContact OD1-NZ 2.93Å; D484-K486 PolarHBondContact OD1-NZ 3.42Å; D484-K486 WeakPolarHBondContact OD2-CE 3.33Å; D484-K486 IonicContact OD2-NZ 3.78Å; D484-K486 PolarHBondContact OD2-NZ 3.12Å; D484-L505 HydrophobicContact CB-CD1 4.04Å; D484-G522 WeakPolarHBondContact OD1-CA 3.47Å; D484-T523 VanDerWaalsContact OD1-CB 3.28Å; D484-T523 WeakPolarHBondContact OD1-CB 3.42Å; D484-T523 PolarHBondContact OD1-N 3.42Å; D484-T523 PolarHBondContact OD1-OG1 2.98Å; D484-T523 PolarHBondContact OD2-OG1 3.48Å
485	I	98.4	Very high	96	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.183	C	C	.	.			trans	-62.6	123.9	170.3	-59.4	-60.4	0	0	0	109.5	I469 H482 V500 Y526 D542 S545 F546 V549	I469-I485 HydrophobicContact CD1-CD1 3.86Å; I469-I485 HydrophobicContact CD1-CG1 4.08Å; I469-I485 HydrophobicContact CD1-CG2 3.85Å; I469-I485 HydrophobicContact CG1-CD1 3.84Å; I469-I485 HydrophobicContact CG1-CG1 4.45Å; H482-I485 HydrophobicContact CB-CD1 3.73Å; H482-I485 HydrophobicContact CB-CG1 4.1Å; H482-I485 VanDerWaalsContact CG-CD1 3.5Å; I485-V500 HydrophobicContact CD1-CG1 3.63Å; I485-Y526 WeakPolarHBondContact O-CD1 3.16Å; I485-D542 HydrophobicContact CG1-CB 4.29Å; I485-S545 WeakPolarHBondContact O-CB 3.15Å; I485-F546 HydrophobicContact CG2-CB 4.2Å; I485-F546 HydrophobicContact CG2-CD2 4.41Å; I485-V549 HydrophobicContact CG2-CG2 4.35Å
486	K	98	Very high	96.1	Very high	16 Å²	16	32.3 Å²	32.3	7%	0.07	17%	0.169	C	C	.	.	S	Bend	trans	-166.6	162.6	-176.9	58.3	-163.2	177.1	-173.5	0	110.9	D484 S488 N489 T523 Y526	D484-K486 VanDerWaalsContact CG-NZ 3.31Å; D484-K486 WeakPolarHBondContact O-CG 3.33Å; D484-K486 PolarHBondContact O-N 3.24Å; D484-K486 IonicContact OD1-NZ 2.93Å; D484-K486 PolarHBondContact OD1-NZ 3.42Å; D484-K486 WeakPolarHBondContact OD2-CE 3.33Å; D484-K486 IonicContact OD2-NZ 3.78Å; D484-K486 PolarHBondContact OD2-NZ 3.12Å; K486-S488 VanDerWaalsContact CE-OG 3.25Å; K486-S488 WeakPolarHBondContact CE-OG 3.29Å; K486-S488 PolarHBondContact O-N 3.05Å; K486-S488 VanDerWaalsContact O-N 3.15Å; K486-N489 VanDerWaalsContact CE-ND2 3.31Å; K486-N489 WeakPolarHBondContact CE-ND2 3.45Å; K486-N489 WeakPolarHBondContact CE-OD1 3.21Å; K486-N489 HydrophobicContact CG-CB 3.87Å; K486-N489 PolarHBondContact O-N 3.16Å; K486-T523 HydrophobicContact CD-CG2 4.1Å; K486-T523 WeakPolarHBondContact CD-OG1 3.43Å; K486-T523 PolarHBondContact NZ-OG1 3.5Å; K486-Y526 HydrophobicContact CB-CD1 3.94Å; K486-Y526 HydrophobicContact CB-CD2 3.8Å; K486-Y526 HydrophobicContact CB-CE1 3.62Å; K486-Y526 HydrophobicContact CB-CE2 3.41Å; K486-Y526 VanDerWaalsContact CB-CE2 3.41Å; K486-Y526 HydrophobicContact CB-CG 4.02Å
487	S	98.1	Very high	96.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-60.3	-24.9	-179.9	56.4	0	0	0	0	114.3	L441 H442 N489 Y526 E552	L441-S487 WeakPolarHBondContact CB-O 3.23Å; L441-S487 PolarHBondContact N-O 2.79Å; H442-S487 PolarHBondContact N-O 2.96Å; H442-S487 PolarHBondContact ND1-OG 3.38Å; S487-N489 VanDerWaalsContact C-N 3.33Å; S487-Y526 PolarHBondContact N-OH 2.64Å; S487-Y526 PolarHBondContact OG-OH 3.21Å; S487-Y526 VanDerWaalsContact OG-OH 3.13Å; S487-E552 VanDerWaalsContact CB-OE1 3.32Å; S487-E552 WeakPolarHBondContact CB-OE1 3.39Å; S487-E552 VanDerWaalsContact CB-OE2 3.23Å; S487-E552 WeakPolarHBondContact CB-OE2 3.24Å; S487-E552 VanDerWaalsContact OG-CD 3.24Å; S487-E552 PolarHBondContact OG-OE1 3.17Å; S487-E552 PolarHBondContact OG-OE2 2.98Å; S487-E552 VanDerWaalsContact OG-OE2 3.06Å
488	S	96.3	Very high	96.7	Very high	47 Å²	47	25.9 Å²	25.9	33%	0.329	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-80.1	-12	175.3	75.6	0	0	0	0	114.3	T440 K486	T440-S488 VanDerWaalsContact CG2-O 3.3Å; T440-S488 WeakPolarHBondContact CG2-O 3.46Å; K486-S488 VanDerWaalsContact CE-OG 3.25Å; K486-S488 WeakPolarHBondContact CE-OG 3.29Å; K486-S488 PolarHBondContact O-N 3.05Å; K486-S488 VanDerWaalsContact O-N 3.15Å
489	N	97.3	Very high	97	Very high	11 Å²	11	25.5 Å²	25.5	6%	0.059	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-111.9	18.5	-179.4	-73.1	28.8	0	0	0	111.5	K486 S487 A501 D502	K486-N489 VanDerWaalsContact CE-ND2 3.31Å; K486-N489 WeakPolarHBondContact CE-ND2 3.45Å; K486-N489 WeakPolarHBondContact CE-OD1 3.21Å; K486-N489 HydrophobicContact CG-CB 3.87Å; K486-N489 PolarHBondContact O-N 3.16Å; S487-N489 VanDerWaalsContact C-N 3.33Å; N489-A501 WeakPolarHBondContact CB-O 3.47Å; N489-A501 PolarHBondContact ND2-O 2.63Å; N489-A501 PolarHBondContact O-N 2.95Å; N489-D502 WeakPolarHBondContact ND2-CB 3.46Å; N489-D502 PolarHBondContact ND2-OD2 3.21Å
490	I	98.5	Very high	97.2	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.4	169.3	-65.7	163.7	0	0	0	105.8	T440 L441 I461 L492 A498 Q499 V549	T440-I490 CarbonylContact C-O 3.57Å; T440-I490 WeakPolarHBondContact CA-O 3.25Å; L441-I490 HydrophobicContact CB-CB 4.2Å; L441-I490 HydrophobicContact CB-CG2 4.2Å; L441-I490 HydrophobicContact CD2-CD1 4.29Å; L441-I490 PolarHBondContact N-O 3.13Å; I461-I490 HydrophobicContact CG2-CG2 4.37Å; I490-L492 HydrophobicContact CG2-CD2 4.26Å; I490-A498 HydrophobicContact CG2-CB 3.86Å; I490-Q499 WeakPolarHBondContact CA-O 3.46Å; I490-V549 HydrophobicContact CD1-CG1 3.75Å; I490-V549 HydrophobicContact CD1-CG2 4.28Å
491	L	98.3	Very high	97.2	Very high	42 Å²	42	24.6 Å²	24.6	22%	0.22	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	151.3	176.1	-54.1	-170.5	0	0	0	110.2	V417 V436 D439 T440 A498 Q499 A501	V417-L491 HydrophobicContact CG2-CB 4.47Å; V417-L491 HydrophobicContact CG2-CD1 4.02Å; V417-L491 HydrophobicContact CG2-CG 4.32Å; V436-L491 HydrophobicContact CB-CB 3.88Å; V436-L491 HydrophobicContact CB-CD1 3.91Å; V436-L491 HydrophobicContact CG1-CB 3.51Å; V436-L491 HydrophobicContact CG1-CD1 4.49Å; V436-L491 HydrophobicContact CG2-CB 4.39Å; V436-L491 HydrophobicContact CG2-CD1 4.2Å; D439-L491 CarbonylContact O-C 3.52Å; D439-L491 WeakPolarHBondContact O-CA 3.44Å; T440-L491 HydrophobicContact CG2-CD2 3.53Å; L491-A498 CarbonylContact O-C 3.58Å; L491-Q499 PolarHBondContact N-O 2.95Å; L491-Q499 PolarHBondContact O-N 3.36Å; L491-A501 HydrophobicContact CD1-CB 4.28Å; L491-A501 HydrophobicContact CG-CB 4.07Å
492	L	98.5	Very high	97	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141	-177.7	-54	-175.9	0	0	0	111.3	V436 N438 D439 I461 I490 F496 E497 A498	V436-L492 VanDerWaalsContact CG1-C 3.44Å; V436-L492 WeakPolarHBondContact CG1-O 3.36Å; N438-L492 WeakPolarHBondContact CA-O 3.33Å; N438-L492 HydrophobicContact CB-CB 4.18Å; N438-L492 WeakPolarHBondContact CB-O 3.45Å; N438-L492 PolarHBondContact N-O 3.23Å; D439-L492 PolarHBondContact O-N 3.06Å; I461-L492 HydrophobicContact CD1-CD1 3.73Å; I461-L492 HydrophobicContact CD1-CD2 3.83Å; I461-L492 HydrophobicContact CD1-CG 4.47Å; I461-L492 HydrophobicContact CG1-CD2 3.76Å; I461-L492 HydrophobicContact CG2-CD2 4.16Å; I490-L492 HydrophobicContact CG2-CD2 4.26Å; L492-F496 HydrophobicContact CD1-CD1 3.98Å; L492-F496 HydrophobicContact CD1-CE1 4.45Å; L492-E497 WeakPolarHBondContact CA-O 3.22Å; L492-A498 HydrophobicContact CD2-CB 4.25Å
493	D	96.8	Very high	96.7	Very high	29 Å²	29	25.9 Å²	25.9	16%	0.155	14%	0.137	C	C	.	.			trans	-84.3	176.6	165.4	87.7	-17.3	0	0	0	111.9	N438 N495 F496 E497	N438-D493 VanDerWaalsContact CB-O 3.26Å; N438-D493 WeakPolarHBondContact CB-O 3.49Å; N438-D493 PolarHBondContact ND2-O 3.41Å; D493-N495 PolarHBondContact O-N 2.9Å; D493-N495 VanDerWaalsContact O-N 3.11Å; D493-N495 VanDerWaalsContact OD1-C 3.25Å; D493-N495 VanDerWaalsContact OD1-CA 3.24Å; D493-N495 WeakPolarHBondContact OD1-CA 3.39Å; D493-N495 VanDerWaalsContact OD1-CB 3.31Å; D493-N495 WeakPolarHBondContact OD1-CB 3.23Å; D493-N495 PolarHBondContact OD1-N 3.06Å; D493-N495 PolarHBondContact OD2-ND2 2.88Å; D493-F496 PolarHBondContact O-N 2.59Å; D493-F496 PolarHBondContact OD1-N 3.4Å; D493-E497 PolarHBondContact N-O 3.44Å; D493-E497 VanDerWaalsContact N-O 3.08Å; D493-E497 WeakPolarHBondContact OD1-CB 3.34Å; D493-E497 WeakPolarHBondContact OD1-CG 3.05Å; D493-E497 PolarHBondContact OD1-N 3.02Å
494	N	96.5	Very high	96.3	Very high	115 Å²	115	25.7 Å²	25.7	62%	0.615	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.7	177.9	-65.7	-16.8	0	0	0	113.5	P437	P437-N494 VanDerWaalsContact CG-OD1 3.25Å; P437-N494 WeakPolarHBondContact CG-OD1 3.4Å
495	N	96.5	Very high	95.9	Very high	105 Å²	105	25.9 Å²	25.9	56%	0.561	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	5.6	176.7	-49.6	-56.3	0	0	0	112.1	K460 D493 E497	K460-N495 WeakPolarHBondContact CE-O 3.4Å; K460-N495 PolarHBondContact NZ-O 3.3Å; D493-N495 PolarHBondContact O-N 2.9Å; D493-N495 VanDerWaalsContact O-N 3.11Å; D493-N495 VanDerWaalsContact OD1-C 3.25Å; D493-N495 VanDerWaalsContact OD1-CA 3.24Å; D493-N495 WeakPolarHBondContact OD1-CA 3.39Å; D493-N495 VanDerWaalsContact OD1-CB 3.31Å; D493-N495 WeakPolarHBondContact OD1-CB 3.23Å; D493-N495 PolarHBondContact OD1-N 3.06Å; D493-N495 PolarHBondContact OD2-ND2 2.88Å; N495-E497 VanDerWaalsContact C-N 3.26Å; N495-E497 HydrophobicContact CB-CG 4.22Å; N495-E497 PolarHBondContact O-N 2.84Å
496	F	96.1	Very high	95.6	Very high	62 Å²	62	25.9 Å²	25.9	27%	0.272	14%	0.138	S	C	.	.			trans	58	33	-171.2	-61.4	-98.9	0	0	0	113.6	N438 H444 L453 A457 I461 L492 D493	N438-F496 WeakPolarHBondContact ND2-CZ 3.49Å; H444-F496 AromaticContact CE1-CE1 3.77Å; H444-F496 AromaticContact ND1-CE1 3.83Å; L453-F496 HydrophobicContact CD1-CD1 3.92Å; L453-F496 HydrophobicContact CD1-CE1 3.79Å; A457-F496 HydrophobicContact CB-CB 4.35Å; A457-F496 HydrophobicContact CB-CD1 4.35Å; A457-F496 HydrophobicContact CB-CG 4.35Å; I461-F496 HydrophobicContact CD1-CB 4.39Å; I461-F496 HydrophobicContact CD1-CD1 4.24Å; L492-F496 HydrophobicContact CD1-CD1 3.98Å; L492-F496 HydrophobicContact CD1-CE1 4.45Å; D493-F496 PolarHBondContact O-N 2.59Å; D493-F496 PolarHBondContact OD1-N 3.4Å
497	E	97.2	Very high	95.3	Very high	24 Å²	24	27.9 Å²	27.9	11%	0.112	15%	0.145	C	C	.	.			trans	-73.8	127.4	161.2	-57.2	-75.9	150.7	0	0	109.4	R414 H415 K460 L492 D493 N495	R414-E497 IonicContact CZ-OE2 3.45Å; R414-E497 IonicContact NE-OE2 3.1Å; R414-E497 PolarHBondContact NE-OE2 2.89Å; R414-E497 IonicContact NH2-OE1 3.23Å; R414-E497 PolarHBondContact NH2-OE1 2.84Å; R414-E497 IonicContact NH2-OE2 3.68Å; R414-E497 PolarHBondContact NH2-OE2 3.28Å; H415-E497 IonicContact CE1-OE2 2.76Å; H415-E497 PolarHBondContact CE1-OE2 3.48Å; K460-E497 WeakPolarHBondContact CE-OE1 3.47Å; K460-E497 IonicContact NZ-OE1 3.74Å; K460-E497 PolarHBondContact NZ-OE1 2.86Å; L492-E497 WeakPolarHBondContact CA-O 3.22Å; D493-E497 PolarHBondContact N-O 3.44Å; D493-E497 VanDerWaalsContact N-O 3.08Å; D493-E497 WeakPolarHBondContact OD1-CB 3.34Å; D493-E497 WeakPolarHBondContact OD1-CG 3.05Å; D493-E497 PolarHBondContact OD1-N 3.02Å; N495-E497 VanDerWaalsContact C-N 3.26Å; N495-E497 HydrophobicContact CB-CG 4.22Å; N495-E497 PolarHBondContact O-N 2.84Å
498	A	98.4	Very high	94.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	139.6	177.2	0	0	0	0	0	112.5	H415 I461 S465 I490 L491 L492	H415-A498 WeakPolarHBondContact CA-O 3.28Å; H415-A498 PolarHBondContact ND1-O 3.01Å; I461-A498 HydrophobicContact CB-CB 4.47Å; I461-A498 HydrophobicContact CG2-CB 4.12Å; S465-A498 WeakPolarHBondContact OG-CB 3.18Å; I490-A498 HydrophobicContact CG2-CB 3.86Å; L491-A498 CarbonylContact O-C 3.58Å; L492-A498 HydrophobicContact CD2-CB 4.25Å
499	Q	98.3	Very high	94.4	Very high	41 Å²	41	28.2 Å²	28.2	19%	0.192	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.1	170.4	-58	-174	31.8	0	0	110.6	H415 V417 I490 L491	H415-Q499 WeakPolarHBondContact O-CA 3.15Å; V417-Q499 HydrophobicContact CG2-CB 3.6Å; I490-Q499 WeakPolarHBondContact CA-O 3.46Å; L491-Q499 PolarHBondContact N-O 2.95Å; L491-Q499 PolarHBondContact O-N 3.36Å
500	V	98	Very high	93.8	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	138.1	179.7	-169.5	0	0	0	0	110.4	H415 L416 V417 I469 H482 I485	H415-V500 PolarHBondContact O-N 2.91Å; L416-V500 HydrophobicContact CD2-CB 3.9Å; L416-V500 HydrophobicContact CD2-CG2 4.4Å; V417-V500 PolarHBondContact N-O 2.82Å; I469-V500 HydrophobicContact CG1-CG2 4.28Å; H482-V500 WeakPolarHBondContact NE2-CG1 3.34Å; I485-V500 HydrophobicContact CD1-CG1 3.63Å
501	A	95.3	Very high	92.8	Very high	12 Å²	12	37.3 Å²	37.3	10%	0.099	19%	0.19	C	C	.	.			trans	-138.1	167.2	-165.4	0	0	0	0	0	114.3	V417 H482 N489 L491	V417-A501 HydrophobicContact CB-CB 4.16Å; V417-A501 HydrophobicContact CG2-CB 3.66Å; H482-A501 PolarHBondContact CE1-O 3.47Å; H482-A501 PolarHBondContact NE2-O 3.03Å; N489-A501 WeakPolarHBondContact CB-O 3.47Å; N489-A501 PolarHBondContact ND2-O 2.63Å; N489-A501 PolarHBondContact O-N 2.95Å; L491-A501 HydrophobicContact CD1-CB 4.28Å; L491-A501 HydrophobicContact CG-CB 4.07Å
502	D	91.2	Very high	91.9	Very high	26 Å²	26	40.3 Å²	40.3	14%	0.139	22%	0.221	C	C	.	.			trans	64.3	82.8	173.6	174.7	37.1	0	0	0	114.3	F371 K388 H482 N489	F371-D502 WeakPolarHBondContact CD2-OD2 3.26Å; F371-D502 VanDerWaalsContact CE2-OD2 3.23Å; F371-D502 WeakPolarHBondContact CE2-OD2 3.48Å; K388-D502 IonicContact NZ-OD1 3.46Å; K388-D502 PolarHBondContact NZ-OD1 3.16Å; H482-D502 PolarHBondContact CE1-O 3.21Å; N489-D502 WeakPolarHBondContact ND2-CB 3.46Å; N489-D502 PolarHBondContact ND2-OD2 3.21Å
503	F	91.7	Very high	90.9	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	24%	0.238	C	C	.	.			trans	-91.7	7.6	-171.8	-73.6	-103.4	0	0	0	113.3	E404 I408 L416 L472 H482 L505 A506	E404-F503 VanDerWaalsContact CG-C 3.46Å; E404-F503 HydrophobicContact CG-CB 3.91Å; E404-F503 PolarHBondContact OE1-N 3.48Å; I408-F503 HydrophobicContact CB-CB 4.42Å; I408-F503 HydrophobicContact CB-CD2 4.38Å; I408-F503 HydrophobicContact CB-CG 4.31Å; I408-F503 HydrophobicContact CD1-CD1 4.18Å; I408-F503 HydrophobicContact CD1-CD2 3.51Å; I408-F503 HydrophobicContact CD1-CE1 4Å; I408-F503 HydrophobicContact CD1-CE2 3.31Å; I408-F503 HydrophobicContact CD1-CG 3.96Å; I408-F503 HydrophobicContact CD1-CZ 3.57Å; I408-F503 HydrophobicContact CG1-CD2 3.91Å; I408-F503 HydrophobicContact CG1-CE2 4.17Å; I408-F503 HydrophobicContact CG1-CG 4.31Å; L416-F503 HydrophobicContact CD1-CZ 4.39Å; L416-F503 HydrophobicContact CD2-CZ 4.14Å; L472-F503 HydrophobicContact CD1-CE1 3.77Å; L472-F503 HydrophobicContact CD1-CZ 4.16Å; L472-F503 HydrophobicContact CD2-CE1 3.89Å; L472-F503 HydrophobicContact CD2-CZ 4.49Å; H482-F503 AromaticContact CD2-CE1 3.88Å; F503-L505 PolarHBondContact O-N 2.72Å; F503-A506 HydrophobicContact CB-CB 4.22Å; F503-A506 HydrophobicContact CD1-CB 4.16Å; F503-A506 WeakPolarHBondContact O-CB 3.32Å; F503-A506 PolarHBondContact O-N 2.89Å
504	G	86.7	Confident	90.2	Very high	2 Å²	2	47 Å²	47	2%	0.021	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.1	-173.5	0	0	0	0	0	114.8	E400 A403 E404	E400-G504 WeakPolarHBondContact CA-O 3.42Å; E400-G504 WeakPolarHBondContact CG-O 3.31Å; A403-G504 WeakPolarHBondContact CB-O 3.25Å; E404-G504 VanDerWaalsContact CG-N 3.32Å
505	L	87.2	Confident	89.7	Confident	8 Å²	8	44.2 Å²	44.2	4%	0.042	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-9.7	176.5	-60.7	-174.4	0	0	0	113.6	F371 E400 R483 D484 F503 R507 M521	F371-L505 HydrophobicContact CE1-CD1 4.38Å; F371-L505 HydrophobicContact CE1-CD2 4.45Å; F371-L505 HydrophobicContact CE1-CG 4.43Å; F371-L505 HydrophobicContact CZ-CD1 4.01Å; F371-L505 HydrophobicContact CZ-CG 4.3Å; E400-L505 HydrophobicContact CG-CD2 4.37Å; R483-L505 WeakPolarHBondContact CD-O 3.28Å; R483-L505 PolarHBondContact NH1-O 2.82Å; D484-L505 HydrophobicContact CB-CD1 4.04Å; F503-L505 PolarHBondContact O-N 2.72Å; L505-R507 PolarHBondContact O-NH1 3.28Å; L505-M521 HydrophobicContact CD1-CB 4.28Å; L505-M521 HydrophobicContact CD2-CB 4.31Å; L505-M521 HydrophobicContact CD2-SD 4.12Å
506	A	92.7	Very high	89.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.228	C	C	.	.			trans	-64.2	154	-171.5	0	0	0	0	0	113.5	I407 I480 I481 F503	I407-A506 HydrophobicContact CD1-CB 4.02Å; I407-A506 WeakPolarHBondContact CD1-O 3.16Å; I480-A506 HydrophobicContact CG2-CB 4.29Å; I481-A506 CarbonylContact O-C 3.39Å; I481-A506 WeakPolarHBondContact O-CA 3.5Å; F503-A506 HydrophobicContact CB-CB 4.22Å; F503-A506 HydrophobicContact CD1-CB 4.16Å; F503-A506 WeakPolarHBondContact O-CB 3.32Å; F503-A506 PolarHBondContact O-N 2.89Å
507	R	91.8	Very high	88.6	Confident	59 Å²	59	42.7 Å²	42.7	22%	0.223	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.2	-177.3	-67.4	-62.5	178.9	-97	12.1	112	I481 L505 L537	I481-R507 PolarHBondContact N-O 2.87Å; I481-R507 PolarHBondContact O-N 3.43Å; L505-R507 PolarHBondContact O-NH1 3.28Å; R507-L537 HydrophobicContact CB-CD2 4.4Å; R507-L537 HydrophobicContact CG-CD2 4.33Å
508	L	88.7	Confident	88.1	Confident	51 Å²	51	43.3 Å²	43.3	27%	0.267	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.9	168.1	-55.9	179.7	0	0	0	109.9	I407 P478 I480	I407-L508 HydrophobicContact CD1-CD2 4.19Å; I407-L508 HydrophobicContact CD1-CG 4.2Å; I407-L508 HydrophobicContact CG1-CD2 3.9Å; I407-L508 HydrophobicContact CG1-CG 4.09Å; I407-L508 HydrophobicContact CG2-CD2 4.32Å; P478-L508 HydrophobicContact CG-CB 4.07Å; P478-L508 HydrophobicContact CG-CD1 4.23Å; P478-L508 HydrophobicContact CG-CD2 4.32Å; P478-L508 HydrophobicContact CG-CG 4.43Å; I480-L508 HydrophobicContact CG1-CD2 3.79Å
509	A	85.9	Confident	87.6	Confident	3 Å²	3	51.9 Å²	51.9	3%	0.025	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126	173.8	0	0	0	0	0	109.6	P478 R479 I481 V516	P478-A509 WeakPolarHBondContact CB-O 3.38Å; R479-A509 HydrophobicContact CG-CB 4.07Å; R479-A509 PolarHBondContact N-O 3.37Å; R479-A509 PolarHBondContact NH1-O 3.16Å; R479-A509 PolarHBondContact O-N 3.43Å; I481-A509 HydrophobicContact CD1-CB 3.9Å; I481-A509 HydrophobicContact CG1-CB 4.38Å; A509-V516 HydrophobicContact CB-CG2 3.8Å
510	M	84.9	Confident	87.2	Confident	104 Å²	104	51.9 Å²	51.9	51%	0.512	29%	0.286	S	S	.	.			trans	-79	151.7	174.2	-55.7	179.6	94.3	0	0	109.8	R479 A512 V513	R479-M510 PolarHBondContact NH1-O 3.44Å; M510-A512 VanDerWaalsContact C-N 3.3Å; M510-A512 PolarHBondContact O-N 3.03Å; M510-V513 HydrophobicContact CB-CG2 4.23Å; M510-V513 WeakPolarHBondContact O-CA 3.29Å; M510-V513 WeakPolarHBondContact O-CB 3.46Å; M510-V513 PolarHBondContact O-N 3.48Å
511	D	78.3	Confident	86.9	Confident	99 Å²	99	53.3 Å²	53.3	53%	0.529	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-18.6	-168.8	-50.2	-55	0	0	0	114	R479 V513	R479-D511 IonicContact CZ-OD1 2.69Å; R479-D511 IonicContact NH1-OD1 3.43Å; R479-D511 PolarHBondContact NH1-OD1 3.04Å; D511-V513 PolarHBondContact O-N 3.4Å
512	A	78.4	Confident	86.7	Confident	104 Å²	104	53.9 Å²	53.9	86%	0.86	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-7.9	165	0	0	0	0	0	113.9	M510	M510-A512 VanDerWaalsContact C-N 3.3Å; M510-A512 PolarHBondContact O-N 3.03Å
513	V	78.2	Confident	86.8	Confident	61 Å²	61	54.8 Å²	54.8	37%	0.37	31%	0.307	S	S	.	.			trans	-108.3	115.3	-175.1	-179.1	0	0	0	0	110.5	R479 M510 D511 H515	R479-V513 PolarHBondContact NH2-O 2.95Å; M510-V513 HydrophobicContact CB-CG2 4.23Å; M510-V513 WeakPolarHBondContact O-CA 3.29Å; M510-V513 WeakPolarHBondContact O-CB 3.46Å; M510-V513 PolarHBondContact O-N 3.48Å; D511-V513 PolarHBondContact O-N 3.4Å; V513-H515 VanDerWaalsContact C-N 3.32Å; V513-H515 WeakPolarHBondContact CG1-O 3.48Å; V513-H515 PolarHBondContact O-N 3.23Å
514	T	81.6	Confident	86.8	Confident	110 Å²	110	57 Å²	57	68%	0.675	32%	0.316	S	S	*	.	S	Bend	trans	-71.5	-22	-177.9	57.1	0	0	0	0	114.3	T538	T514-T538 WeakPolarHBondContact O-CG2 3.37Å
515	H	85.5	Confident	87.2	Confident	56 Å²	56	57.4 Å²	57.4	26%	0.259	32%	0.321	S	S	.	.			trans	-163.7	146.2	178.9	62.6	-70.7	0	0	0	111.6	V513 T517 K536 L537 T538	V513-H515 VanDerWaalsContact C-N 3.32Å; V513-H515 WeakPolarHBondContact CG1-O 3.48Å; V513-H515 PolarHBondContact O-N 3.23Å; H515-T517 PolarHBondContact CD2-OG1 3.32Å; H515-T517 VanDerWaalsContact CD2-OG1 3.26Å; H515-T517 PolarHBondContact NE2-OG1 2.81Å; H515-K536 HydrophobicContact CB-CB 4.07Å; H515-K536 VanDerWaalsContact CD2-CG 3.43Å; H515-K536 WeakPolarHBondContact CD2-CG 3.48Å; H515-L537 CarbonylContact C-O 3.56Å; H515-L537 WeakPolarHBondContact CA-O 3.42Å; H515-T538 HydrophobicContact CB-CG2 3.79Å
516	V	84.3	Confident	87.7	Confident	30 Å²	30	57.5 Å²	57.5	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	102.7	170	-179.2	0	0	0	0	108.1	I481 A509 T518 L537	I481-V516 HydrophobicContact CD1-CG2 4.18Å; A509-V516 HydrophobicContact CB-CG2 3.8Å; V516-T518 PolarHBondContact O-N 2.94Å; V516-L537 HydrophobicContact CB-CB 4.35Å; V516-L537 PolarHBondContact N-O 3.18Å; V516-L537 WeakPolarHBondContact O-CB 3.29Å; V516-L537 PolarHBondContact O-N 3.49Å
517	T	87.1	Confident	87.9	Confident	104 Å²	104	58.7 Å²	58.7	64%	0.638	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	117.6	171	-69.8	0	0	0	0	109.3	H515	H515-T517 PolarHBondContact CD2-OG1 3.32Å; H515-T517 VanDerWaalsContact CD2-OG1 3.26Å; H515-T517 PolarHBondContact NE2-OG1 2.81Å
518	T	85.8	Confident	88.1	Confident	37 Å²	37	55.9 Å²	55.9	23%	0.227	32%	0.317	C	S	.	.			trans	-152.7	164.2	-178.1	-161.8	0	0	0	0	112.1	V516 V520 Y531 G535 L537	V516-T518 PolarHBondContact O-N 2.94Å; T518-V520 PolarHBondContact O-N 2.86Å; T518-Y531 HydrophobicContact CG2-CE2 4Å; T518-G535 PolarHBondContact N-O 3Å; T518-G535 WeakPolarHBondContact O-CA 3.49Å; T518-L537 HydrophobicContact CG2-CB 4.07Å; T518-L537 HydrophobicContact CG2-CD2 4.2Å
519	R	88.8	Confident	88.4	Confident	180 Å²	180	53.9 Å²	53.9	68%	0.679	31%	0.307	S	S	*	.			trans	-59.7	137.3	173.7	174.7	176.7	169.1	-152.3	-6.5	109.5	R483 M521 Y531	R483-R519 PolarHBondContact NH2-O 2.97Å; R519-M521 HydrophobicContact CG-CG 4.45Å; R519-M521 PolarHBondContact O-N 3.08Å; R519-Y531 PolarHBondContact O-OH 3.48Å
520	V	89.6	Confident	88.7	Confident	41 Å²	41	55.4 Å²	55.4	25%	0.248	31%	0.313	C	S	.	.			trans	-59.9	121.2	173	-174.1	0	0	0	0	110	T518 L527 Y531	T518-V520 PolarHBondContact O-N 2.86Å; V520-L527 HydrophobicContact CG1-CD1 4.04Å; V520-Y531 WeakPolarHBondContact CA-OH 3.35Å; V520-Y531 HydrophobicContact CG1-CE1 4.49Å; V520-Y531 WeakPolarHBondContact CG2-O 3.27Å
521	M	90.9	Very high	89.2	Confident	31 Å²	31	50.6 Å²	50.6	15%	0.153	29%	0.289	C	S	.	.			trans	-150.8	153.9	175.6	-61	174.3	148.5	0	0	108.2	R483 L505 R519 Y531	R483-M521 PolarHBondContact NH2-SD 3.4Å; R483-M521 VanDerWaalsContact NH2-SD 3.38Å; L505-M521 HydrophobicContact CD1-CB 4.28Å; L505-M521 HydrophobicContact CD2-CB 4.31Å; L505-M521 HydrophobicContact CD2-SD 4.12Å; R519-M521 HydrophobicContact CG-CG 4.45Å; R519-M521 PolarHBondContact O-N 3.08Å; M521-Y531 PolarHBondContact N-OH 3.24Å; M521-Y531 WeakPolarHBondContact O-CE1 3.07Å; M521-Y531 PolarHBondContact O-OH 2.84Å
522	G	90.9	Very high	89.9	Confident	25 Å²	25	47.7 Å²	47.7	26%	0.258	28%	0.279	S	S	.	.	S	Bend	trans	124.5	171.8	-171	0	0	0	0	0	110.1	D484	D484-G522 WeakPolarHBondContact OD1-CA 3.47Å
523	T	92.7	Very high	90.6	Very high	45 Å²	45	45.7 Å²	45.7	28%	0.276	26%	0.259	S	S	.	.			trans	-84.3	128.6	-169.7	-56.7	0	0	0	0	112.2	D484 K486 Y526 L527	D484-T523 VanDerWaalsContact OD1-CB 3.28Å; D484-T523 WeakPolarHBondContact OD1-CB 3.42Å; D484-T523 PolarHBondContact OD1-N 3.42Å; D484-T523 PolarHBondContact OD1-OG1 2.98Å; D484-T523 PolarHBondContact OD2-OG1 3.48Å; K486-T523 HydrophobicContact CD-CG2 4.1Å; K486-T523 WeakPolarHBondContact CD-OG1 3.43Å; K486-T523 PolarHBondContact NZ-OG1 3.5Å; T523-Y526 HydrophobicContact CG2-CD2 3.83Å; T523-Y526 HydrophobicContact CG2-CE2 4.03Å; T523-Y526 PolarHBondContact O-N 3.18Å; T523-Y526 VanDerWaalsContact O-N 3.12Å; T523-L527 PolarHBondContact O-N 3.39Å
524	F	92.4	Very high	91.2	Very high	46 Å²	46	45.7 Å²	45.7	20%	0.202	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	143.1	176.4	-175.8	-100.1	0	0	0	111.2	Y526 V560 I661 F664 Q665 F669	F524-Y526 VanDerWaalsContact C-N 3.33Å; F524-V560 HydrophobicContact CD1-CG2 3.8Å; F524-V560 HydrophobicContact CE1-CG1 4.28Å; F524-V560 HydrophobicContact CE1-CG2 3.72Å; F524-I661 HydrophobicContact CE2-CG2 4.4Å; F524-I661 HydrophobicContact CZ-CG2 4.4Å; F524-F664 AromaticContact CD2-CD1 3.81Å; F524-F664 HydrophobicContact CD2-CD1 3.81Å; F524-F664 AromaticContact CD2-CE1 3.92Å; F524-F664 HydrophobicContact CD2-CE1 3.92Å; F524-F664 HydrophobicContact CE2-CD1 4.06Å; F524-Q665 HydrophobicContact CE1-CG 3.67Å; F524-Q665 HydrophobicContact CE2-CG 3.99Å; F524-Q665 HydrophobicContact CZ-CG 3.24Å; F524-F669 HydrophobicContact CB-CE2 4.45Å; F524-F669 HydrophobicContact CD1-CE2 4.17Å; F524-F669 HydrophobicContact CG-CE2 4.43Å
525	G	94.9	Very high	91.7	Very high	11 Å²	11	40.9 Å²	40.9	11%	0.113	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	-32.9	-167	0	0	0	0	0	113.9
526	Y	97.7	Very high	92	Very high	11 Å²	11	42.9 Å²	42.9	4%	0.043	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-20.6	177.8	-58.3	-89.6	0	0	0	113.4	I485 K486 S487 T523 F524 A528 F544 S545 V548 V549 E552 P559	I485-Y526 WeakPolarHBondContact O-CD1 3.16Å; K486-Y526 HydrophobicContact CB-CD1 3.94Å; K486-Y526 HydrophobicContact CB-CD2 3.8Å; K486-Y526 HydrophobicContact CB-CE1 3.62Å; K486-Y526 HydrophobicContact CB-CE2 3.41Å; K486-Y526 VanDerWaalsContact CB-CE2 3.41Å; K486-Y526 HydrophobicContact CB-CG 4.02Å; S487-Y526 PolarHBondContact N-OH 2.64Å; S487-Y526 PolarHBondContact OG-OH 3.21Å; S487-Y526 VanDerWaalsContact OG-OH 3.13Å; T523-Y526 HydrophobicContact CG2-CD2 3.83Å; T523-Y526 HydrophobicContact CG2-CE2 4.03Å; T523-Y526 PolarHBondContact O-N 3.18Å; T523-Y526 VanDerWaalsContact O-N 3.12Å; F524-Y526 VanDerWaalsContact C-N 3.33Å; Y526-A528 PolarHBondContact O-N 3.19Å; Y526-F544 WeakPolarHBondContact O-CD1 3.47Å; Y526-S545 PolarHBondContact O-OG 3.47Å; Y526-S545 VanDerWaalsContact O-OG 3.07Å; Y526-V548 HydrophobicContact CD1-CB 3.81Å; Y526-V548 HydrophobicContact CD1-CG1 3.84Å; Y526-V548 HydrophobicContact CE1-CB 4.23Å; Y526-V548 HydrophobicContact CE1-CG1 3.96Å; Y526-V549 HydrophobicContact CD1-CG2 4.42Å; Y526-V549 HydrophobicContact CE1-CG2 3.91Å; Y526-E552 VanDerWaalsContact CE1-OE2 3.29Å; Y526-E552 WeakPolarHBondContact CE1-OE2 3.41Å; Y526-E552 VanDerWaalsContact OH-CD 3.31Å; Y526-E552 PolarHBondContact OH-OE1 2.84Å; Y526-E552 PolarHBondContact OH-OE2 2.82Å; Y526-P559 HydrophobicContact CD2-CG 4.49Å; Y526-P559 HydrophobicContact CE1-CG 3.82Å; Y526-P559 HydrophobicContact CE2-CB 4.2Å; Y526-P559 HydrophobicContact CE2-CG 3.65Å; Y526-P559 WeakPolarHBondContact OH-CG 3.44Å
527	L	96.5	Very high	92.5	Very high	24 Å²	24	41.5 Å²	41.5	13%	0.126	23%	0.233	C	C	.	.			trans	-60.4	121.2	-176.8	-69.8	174.4	0	0	0	112.8	V520 T523 Y531 A532	V520-L527 HydrophobicContact CG1-CD1 4.04Å; T523-L527 PolarHBondContact O-N 3.39Å; L527-Y531 HydrophobicContact CD2-CD1 4.05Å; L527-Y531 HydrophobicContact CD2-CE1 4.03Å; L527-A532 HydrophobicContact CB-CB 4.48Å
528	A	96.4	Very high	92.8	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.008	21%	0.208	C	C	.	.			trans	-61.8	139.3	174.6	0	0	0	0	0	112.4	Y526 E530 Y531 A532 F544	Y526-A528 PolarHBondContact O-N 3.19Å; A528-E530 WeakPolarHBondContact CB-OE1 3.42Å; A528-E530 PolarHBondContact O-N 2.72Å; A528-Y531 PolarHBondContact O-N 2.64Å; A528-A532 PolarHBondContact O-N 2.84Å; A528-F544 VanDerWaalsContact CA-CD1 3.48Å; A528-F544 HydrophobicContact CB-CB 3.74Å; A528-F544 HydrophobicContact CB-CD1 3.89Å; A528-F544 HydrophobicContact CB-CD2 4.49Å; A528-F544 HydrophobicContact CB-CG 3.8Å
529	P	94.8	Very high	93.3	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-36	-169.8	24.1	-34.6	0	0	0	113.5	Y531 S533 F544	P529-Y531 VanDerWaalsContact C-N 3.34Å; P529-S533 WeakPolarHBondContact O-CB 3.46Å; P529-S533 PolarHBondContact O-N 3.11Å; P529-S533 VanDerWaalsContact O-N 3.12Å; P529-S533 PolarHBondContact O-OG 3.45Å; P529-F544 HydrophobicContact CG-CE2 4.36Å
530	E	93.9	Very high	93.7	Very high	34 Å²	34	31 Å²	31	16%	0.159	18%	0.181	C	C	.	.	H	α-helix	trans	-68.7	-32.7	175.8	77.6	-66.9	165	0	0	112.5	A528 S533 S534 S541 A620 R623	A528-E530 WeakPolarHBondContact CB-OE1 3.42Å; A528-E530 PolarHBondContact O-N 2.72Å; E530-S533 PolarHBondContact O-OG 3.17Å; E530-S534 WeakPolarHBondContact O-CB 3.47Å; E530-S534 PolarHBondContact O-N 3.29Å; E530-S534 VanDerWaalsContact O-N 3.08Å; E530-S534 PolarHBondContact O-OG 2.85Å; E530-S541 PolarHBondContact OE1-OG 3.07Å; E530-A620 HydrophobicContact CG-CB 3.94Å; E530-R623 VanDerWaalsContact CD-NH1 3.29Å; E530-R623 IonicContact OE1-CZ 3.95Å; E530-R623 IonicContact OE1-NH1 2.97Å; E530-R623 PolarHBondContact OE1-NH1 3.2Å; E530-R623 IonicContact OE1-NH2 2.99Å; E530-R623 IonicContact OE2-CZ 3.39Å; E530-R623 IonicContact OE2-NH1 3.17Å; E530-R623 PolarHBondContact OE2-NH1 3.41Å; E530-R623 VanDerWaalsContact OE2-NH1 3.17Å; E530-R623 IonicContact OE2-NH2 2.84Å; E530-R623 PolarHBondContact OE2-NH2 3.38Å
531	Y	95.3	Very high	94.1	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-76.8	-42.5	177.6	176.7	-133.7	0	0	0	111	R483 T518 R519 V520 M521 L527 A528 P529 S533 G535 L537	R483-Y531 HydrophobicContact CG-CE1 4.12Å; R483-Y531 PolarHBondContact NE-OH 3.07Å; R483-Y531 PolarHBondContact NH2-OH 3.32Å; T518-Y531 HydrophobicContact CG2-CE2 4Å; R519-Y531 PolarHBondContact O-OH 3.48Å; V520-Y531 WeakPolarHBondContact CA-OH 3.35Å; V520-Y531 HydrophobicContact CG1-CE1 4.49Å; V520-Y531 WeakPolarHBondContact CG2-O 3.27Å; M521-Y531 PolarHBondContact N-OH 3.24Å; M521-Y531 WeakPolarHBondContact O-CE1 3.07Å; M521-Y531 PolarHBondContact O-OH 2.84Å; L527-Y531 HydrophobicContact CD2-CD1 4.05Å; L527-Y531 HydrophobicContact CD2-CE1 4.03Å; A528-Y531 PolarHBondContact O-N 2.64Å; P529-Y531 VanDerWaalsContact C-N 3.34Å; Y531-S533 VanDerWaalsContact C-N 3.35Å; Y531-S533 PolarHBondContact O-N 2.92Å; Y531-G535 WeakPolarHBondContact O-CA 3.5Å; Y531-G535 PolarHBondContact O-N 3.14Å; Y531-L537 HydrophobicContact CD1-CD1 4.06Å; Y531-L537 HydrophobicContact CD2-CB 3.94Å; Y531-L537 HydrophobicContact CD2-CD1 4.31Å; Y531-L537 HydrophobicContact CE1-CD1 4Å; Y531-L537 HydrophobicContact CE2-CB 3.77Å; Y531-L537 HydrophobicContact CE2-CD1 4.29Å; Y531-L537 HydrophobicContact CG-CD1 4.23Å
532	A	92.9	Very high	94.5	Very high	38 Å²	38	27.7 Å²	27.7	31%	0.314	16%	0.163	S	C	.	.	H	α-helix	trans	-60.9	-40.3	177.5	0	0	0	0	0	112.9	L527 A528	L527-A532 HydrophobicContact CB-CB 4.48Å; A528-A532 PolarHBondContact O-N 2.84Å
533	S	92.1	Very high	94.8	Very high	63 Å²	63	26.5 Å²	26.5	44%	0.441	15%	0.151	S	C	.	.	H	α-helix	trans	-79.5	-43.9	179	51.6	0	0	0	0	113.5	P529 E530 Y531	P529-S533 WeakPolarHBondContact O-CB 3.46Å; P529-S533 PolarHBondContact O-N 3.11Å; P529-S533 VanDerWaalsContact O-N 3.12Å; P529-S533 PolarHBondContact O-OG 3.45Å; E530-S533 PolarHBondContact O-OG 3.17Å; Y531-S533 VanDerWaalsContact C-N 3.35Å; Y531-S533 PolarHBondContact O-N 2.92Å
534	S	90.8	Very high	95.1	Very high	60 Å²	60	24.7 Å²	24.7	42%	0.42	14%	0.139	S	C	.	.	H	α-helix	trans	-108.2	-9.7	-168.2	77.2	0	0	0	0	116.1	E530 K536	E530-S534 WeakPolarHBondContact O-CB 3.47Å; E530-S534 PolarHBondContact O-N 3.29Å; E530-S534 VanDerWaalsContact O-N 3.08Å; E530-S534 PolarHBondContact O-OG 2.85Å; S534-K536 PolarHBondContact O-N 2.95Å; S534-K536 WeakPolarHBondContact OG-CB 3.46Å; S534-K536 WeakPolarHBondContact OG-CG 3.46Å; S534-K536 PolarHBondContact OG-N 2.95Å
535	G	91.8	Very high	95.4	Very high	9 Å²	9	22.9 Å²	22.9	9%	0.093	13%	0.132	C	C	.	.			trans	67.8	5.8	-173.7	0	0	0	0	0	114.7	T518 Y531 L537	T518-G535 PolarHBondContact N-O 3Å; T518-G535 WeakPolarHBondContact O-CA 3.49Å; Y531-G535 WeakPolarHBondContact O-CA 3.5Å; Y531-G535 PolarHBondContact O-N 3.14Å; G535-L537 PolarHBondContact O-N 3.11Å
536	K	92.7	Very high	95.6	Very high	98 Å²	98	22.3 Å²	22.3	43%	0.426	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	100.4	177.4	-60.2	-175.9	178.2	176.5	0	110	H515 S534	H515-K536 HydrophobicContact CB-CB 4.07Å; H515-K536 VanDerWaalsContact CD2-CG 3.43Å; H515-K536 WeakPolarHBondContact CD2-CG 3.48Å; S534-K536 PolarHBondContact O-N 2.95Å; S534-K536 WeakPolarHBondContact OG-CB 3.46Å; S534-K536 WeakPolarHBondContact OG-CG 3.46Å; S534-K536 PolarHBondContact OG-N 2.95Å
537	L	94	Very high	95.7	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	136.6	177.9	-179.2	63.9	0	0	0	110.4	I481 R483 R507 H515 V516 T518 Y531 G535	I481-L537 HydrophobicContact CB-CD2 4.38Å; I481-L537 HydrophobicContact CB-CG 4.46Å; I481-L537 HydrophobicContact CD1-CG 4.21Å; I481-L537 HydrophobicContact CG2-CD1 3.82Å; I481-L537 HydrophobicContact CG2-CD2 4.05Å; I481-L537 HydrophobicContact CG2-CG 3.8Å; R483-L537 HydrophobicContact CB-CD1 4.25Å; R483-L537 HydrophobicContact CB-CD2 4.1Å; R483-L537 HydrophobicContact CG-CD1 3.85Å; R483-L537 HydrophobicContact CG-CD2 3.78Å; R483-L537 HydrophobicContact CG-CG 4.48Å; R507-L537 HydrophobicContact CB-CD2 4.4Å; R507-L537 HydrophobicContact CG-CD2 4.33Å; H515-L537 CarbonylContact C-O 3.56Å; H515-L537 WeakPolarHBondContact CA-O 3.42Å; V516-L537 HydrophobicContact CB-CB 4.35Å; V516-L537 PolarHBondContact N-O 3.18Å; V516-L537 WeakPolarHBondContact O-CB 3.29Å; V516-L537 PolarHBondContact O-N 3.49Å; T518-L537 HydrophobicContact CG2-CB 4.07Å; T518-L537 HydrophobicContact CG2-CD2 4.2Å; Y531-L537 HydrophobicContact CD1-CD1 4.06Å; Y531-L537 HydrophobicContact CD2-CB 3.94Å; Y531-L537 HydrophobicContact CD2-CD1 4.31Å; Y531-L537 HydrophobicContact CE1-CD1 4Å; Y531-L537 HydrophobicContact CE2-CB 3.77Å; Y531-L537 HydrophobicContact CE2-CD1 4.29Å; Y531-L537 HydrophobicContact CG-CD1 4.23Å; G535-L537 PolarHBondContact O-N 3.11Å
538	T	94.9	Very high	95.8	Very high	17 Å²	17	20.7 Å²	20.7	10%	0.104	12%	0.119	C	C	.	.			trans	-140.1	163.3	176.8	61	0	0	0	0	110.2	I481 T514 H515 R540 S541	I481-T538 WeakPolarHBondContact CG2-O 3.49Å; T514-T538 WeakPolarHBondContact O-CG2 3.37Å; H515-T538 HydrophobicContact CB-CG2 3.79Å; T538-R540 PolarHBondContact O-N 3.22Å; T538-R540 WeakPolarHBondContact OG1-CB 3.31Å; T538-R540 PolarHBondContact OG1-N 3.46Å; T538-S541 PolarHBondContact N-OG 3.09Å; T538-S541 VanDerWaalsContact O-CB 3.28Å; T538-S541 WeakPolarHBondContact O-CB 3.47Å; T538-S541 PolarHBondContact O-N 3.19Å; T538-S541 PolarHBondContact O-OG 3.25Å; T538-S541 PolarHBondContact OG1-N 3.35Å; T538-S541 PolarHBondContact OG1-OG 2.89Å; T538-S541 VanDerWaalsContact OG1-OG 3.14Å
539	E	96.1	Very high	95.9	Very high	38 Å²	38	20.6 Å²	20.6	18%	0.178	12%	0.118	C	C	.	.	H	α-helix	trans	-56.7	-30.5	167.9	66.8	-61.4	130.7	0	0	111.9	H473 R479 I481 S541 D542 V543	H473-E539 HydrophobicContact CB-CB 4.42Å; H473-E539 PolarHBondContact CE1-O 2.9Å; H473-E539 VanDerWaalsContact CE1-O 3.22Å; R479-E539 IonicContact CZ-OE2 3.28Å; R479-E539 IonicContact NE-OE2 3.36Å; R479-E539 PolarHBondContact NE-OE2 2.89Å; R479-E539 IonicContact NH2-OE2 2.72Å; R479-E539 PolarHBondContact NH2-OE2 3.34Å; I481-E539 HydrophobicContact CG1-CB 4.47Å; E539-S541 PolarHBondContact O-N 3.48Å; E539-D542 WeakPolarHBondContact O-CB 3.1Å; E539-D542 PolarHBondContact O-N 3.44Å; E539-D542 VanDerWaalsContact O-N 3.16Å; E539-V543 WeakPolarHBondContact O-CG2 3.39Å; E539-V543 PolarHBondContact O-N 3.06Å; E539-V543 VanDerWaalsContact O-N 3.16Å
540	R	97.3	Very high	96.1	Very high	45 Å²	45	20.2 Å²	20.2	17%	0.17	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-18.6	172.2	-55	-50.8	-168.5	91.8	-22.2	114.6	T538 F544 A620 S621 R623	T538-R540 PolarHBondContact O-N 3.22Å; T538-R540 WeakPolarHBondContact OG1-CB 3.31Å; T538-R540 PolarHBondContact OG1-N 3.46Å; R540-F544 PolarHBondContact O-N 2.98Å; R540-A620 HydrophobicContact CB-CB 3.94Å; R540-A620 WeakPolarHBondContact CG-O 3.4Å; R540-A620 PolarHBondContact NH1-O 3.28Å; R540-S621 PolarHBondContact NH1-O 2.75Å; R540-R623 PolarHBondContact NH1-O 3.12Å; R540-R623 PolarHBondContact NH2-O 2.61Å; R540-R623 WeakPolarHBondContact O-CD 3.18Å; R540-R623 PolarHBondContact O-NH1 3.08Å
541	S	97.5	Very high	96.3	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-77	-35.1	174.9	-51.1	0	0	0	0	111	E530 T538 E539 F544 S545	E530-S541 PolarHBondContact OE1-OG 3.07Å; T538-S541 PolarHBondContact N-OG 3.09Å; T538-S541 VanDerWaalsContact O-CB 3.28Å; T538-S541 WeakPolarHBondContact O-CB 3.47Å; T538-S541 PolarHBondContact O-N 3.19Å; T538-S541 PolarHBondContact O-OG 3.25Å; T538-S541 PolarHBondContact OG1-N 3.35Å; T538-S541 PolarHBondContact OG1-OG 2.89Å; T538-S541 VanDerWaalsContact OG1-OG 3.14Å; E539-S541 PolarHBondContact O-N 3.48Å; S541-F544 PolarHBondContact O-N 3.12Å; S541-S545 PolarHBondContact O-N 2.94Å; S541-S545 PolarHBondContact O-OG 2.84Å; S541-S545 VanDerWaalsContact O-OG 3.09Å
542	D	98.3	Very high	96.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.3	-38.3	169	-72.6	-13.3	0	0	0	111.9	I469 H473 I481 H482 R483 I485 E539 F544 S545 F546	I469-D542 HydrophobicContact CG2-CB 4.45Å; H473-D542 IonicContact CD2-OD2 3.78Å; H473-D542 VanDerWaalsContact CE1-CB 3.48Å; H473-D542 WeakPolarHBondContact CE1-CB 3.43Å; H473-D542 IonicContact CE1-OD2 3.86Å; H473-D542 WeakPolarHBondContact NE2-CB 3.26Å; H473-D542 IonicContact NE2-OD2 3.24Å; H473-D542 PolarHBondContact NE2-OD2 3.3Å; I481-D542 WeakPolarHBondContact CA-OD2 3.38Å; I481-D542 WeakPolarHBondContact CG2-OD2 3.43Å; H482-D542 PolarHBondContact N-OD2 3.23Å; R483-D542 VanDerWaalsContact CA-OD1 3.26Å; R483-D542 WeakPolarHBondContact CA-OD1 3.39Å; R483-D542 PolarHBondContact N-OD1 2.6Å; I485-D542 HydrophobicContact CG1-CB 4.29Å; E539-D542 WeakPolarHBondContact O-CB 3.1Å; E539-D542 PolarHBondContact O-N 3.44Å; E539-D542 VanDerWaalsContact O-N 3.16Å; D542-F544 PolarHBondContact O-N 3.1Å; D542-S545 WeakPolarHBondContact O-CB 3.2Å; D542-S545 PolarHBondContact O-N 3.33Å; D542-S545 VanDerWaalsContact O-N 3.17Å; D542-F546 PolarHBondContact O-N 3.17Å
543	V	98.7	Very high	96.7	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-56.6	-41.5	175	177.2	0	0	0	0	110.8	E539 F546 G547 C615 R623 P624 M626	E539-V543 WeakPolarHBondContact O-CG2 3.39Å; E539-V543 PolarHBondContact O-N 3.06Å; E539-V543 VanDerWaalsContact O-N 3.16Å; V543-F546 PolarHBondContact O-N 3.21Å; V543-G547 PolarHBondContact O-N 3.16Å; V543-C615 HydrophobicContact CG1-CB 4.07Å; V543-C615 WeakPolarHBondContact O-CB 3.4Å; V543-R623 HydrophobicContact CG1-CB 4.01Å; V543-P624 HydrophobicContact CG1-CG 4.2Å; V543-M626 HydrophobicContact CB-SD 4.34Å; V543-M626 HydrophobicContact CG1-SD 4.37Å; V543-M626 HydrophobicContact CG2-CG 3.91Å; V543-M626 HydrophobicContact CG2-SD 3.84Å
544	F	98.7	Very high	96.9	Very high	7 Å²	7	13.7 Å²	13.7	3%	0.031	7%	0.072	C	C	.	.	H	α-helix	trans	-63.9	-49.2	175	-179	-82.8	0	0	0	111.6	Y526 A528 P529 R540 S541 D542 F546 G547 V548 V572 I616	Y526-F544 WeakPolarHBondContact O-CD1 3.47Å; A528-F544 VanDerWaalsContact CA-CD1 3.48Å; A528-F544 HydrophobicContact CB-CB 3.74Å; A528-F544 HydrophobicContact CB-CD1 3.89Å; A528-F544 HydrophobicContact CB-CD2 4.49Å; A528-F544 HydrophobicContact CB-CG 3.8Å; P529-F544 HydrophobicContact CG-CE2 4.36Å; R540-F544 PolarHBondContact O-N 2.98Å; S541-F544 PolarHBondContact O-N 3.12Å; D542-F544 PolarHBondContact O-N 3.1Å; F544-F546 VanDerWaalsContact C-N 3.27Å; F544-F546 PolarHBondContact O-N 3.34Å; F544-G547 WeakPolarHBondContact O-CA 3.43Å; F544-G547 PolarHBondContact O-N 2.9Å; F544-V548 HydrophobicContact CD1-CG2 4.23Å; F544-V548 HydrophobicContact CE1-CG2 3.98Å; F544-V548 PolarHBondContact O-N 2.75Å; F544-V572 HydrophobicContact CZ-CG1 4.13Å; F544-I616 HydrophobicContact CD2-CB 4.38Å; F544-I616 HydrophobicContact CE2-CB 4.19Å; F544-I616 WeakPolarHBondContact CE2-O 3.42Å
545	S	98.7	Very high	97.2	Very high	7 Å²	7	11.1 Å²	11.1	5%	0.049	5%	0.054	C	C	.	.	H	α-helix	trans	-56.3	-40.7	177	-53.9	0	0	0	0	112.2	I485 Y526 S541 D542 V548 V549	I485-S545 WeakPolarHBondContact O-CB 3.15Å; Y526-S545 PolarHBondContact O-OG 3.47Å; Y526-S545 VanDerWaalsContact O-OG 3.07Å; S541-S545 PolarHBondContact O-N 2.94Å; S541-S545 PolarHBondContact O-OG 2.84Å; S541-S545 VanDerWaalsContact O-OG 3.09Å; D542-S545 WeakPolarHBondContact O-CB 3.2Å; D542-S545 PolarHBondContact O-N 3.33Å; D542-S545 VanDerWaalsContact O-N 3.17Å; S545-V548 WeakPolarHBondContact O-CB 3.45Å; S545-V548 PolarHBondContact O-N 3.16Å; S545-V549 PolarHBondContact O-N 2.92Å
546	F	98.8	Very high	97.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67	-37.4	173.5	-175.5	-107.8	0	0	0	112.5	A462 A466 I469 I485 D542 V543 F544 V548 V549 L550 M626 V629 L633	A462-F546 WeakPolarHBondContact O-CZ 3.49Å; A466-F546 HydrophobicContact CB-CE1 3.94Å; A466-F546 HydrophobicContact CB-CZ 3.83Å; I469-F546 HydrophobicContact CD1-CB 4Å; I469-F546 HydrophobicContact CD1-CD2 3.58Å; I469-F546 HydrophobicContact CD1-CE2 4.36Å; I469-F546 HydrophobicContact CD1-CG 3.9Å; I485-F546 HydrophobicContact CG2-CB 4.2Å; I485-F546 HydrophobicContact CG2-CD2 4.41Å; D542-F546 PolarHBondContact O-N 3.17Å; V543-F546 PolarHBondContact O-N 3.21Å; F544-F546 VanDerWaalsContact C-N 3.27Å; F544-F546 PolarHBondContact O-N 3.34Å; F546-V548 PolarHBondContact O-N 3.42Å; F546-V549 HydrophobicContact CD2-CB 4.41Å; F546-V549 WeakPolarHBondContact O-CA 3.45Å; F546-V549 WeakPolarHBondContact O-CB 3.33Å; F546-V549 PolarHBondContact O-N 3.09Å; F546-L550 HydrophobicContact CD1-CD1 4.18Å; F546-L550 HydrophobicContact CD1-CG 4.18Å; F546-L550 HydrophobicContact CE1-CD1 3.79Å; F546-L550 HydrophobicContact CE1-CD2 3.77Å; F546-L550 HydrophobicContact CE1-CG 3.73Å; F546-L550 HydrophobicContact CZ-CD2 3.68Å; F546-L550 HydrophobicContact CZ-CG 4.04Å; F546-L550 PolarHBondContact O-N 3.23Å; F546-M626 HydrophobicContact CD1-CE 3.55Å; F546-M626 HydrophobicContact CD1-SD 4.17Å; F546-M626 HydrophobicContact CE1-CE 3.89Å; F546-M626 HydrophobicContact CG-CE 4.01Å; F546-V629 HydrophobicContact CD1-CG1 4.27Å; F546-V629 HydrophobicContact CE1-CG1 3.81Å; F546-L633 HydrophobicContact CE1-CD1 4.19Å; F546-L633 HydrophobicContact CZ-CD1 4.26Å
547	G	98.6	Very high	97.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-55.4	-37.3	169.8	0	0	0	0	0	113.1	V543 F544 L550 L551 C615	V543-G547 PolarHBondContact O-N 3.16Å; F544-G547 WeakPolarHBondContact O-CA 3.43Å; F544-G547 PolarHBondContact O-N 2.9Å; G547-L550 PolarHBondContact O-N 2.88Å; G547-L551 WeakPolarHBondContact O-CG 3.31Å; G547-L551 PolarHBondContact O-N 3.42Å; G547-L551 VanDerWaalsContact O-N 3.1Å; G547-C615 VanDerWaalsContact CA-CB 3.44Å
548	V	98.6	Very high	97.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-67.9	-38.7	173.5	-172.8	0	0	0	0	111.7	Y526 F544 S545 F546 L550 L551 E552 P559 V572	Y526-V548 HydrophobicContact CD1-CB 3.81Å; Y526-V548 HydrophobicContact CD1-CG1 3.84Å; Y526-V548 HydrophobicContact CE1-CB 4.23Å; Y526-V548 HydrophobicContact CE1-CG1 3.96Å; F544-V548 HydrophobicContact CD1-CG2 4.23Å; F544-V548 HydrophobicContact CE1-CG2 3.98Å; F544-V548 PolarHBondContact O-N 2.75Å; S545-V548 WeakPolarHBondContact O-CB 3.45Å; S545-V548 PolarHBondContact O-N 3.16Å; F546-V548 PolarHBondContact O-N 3.42Å; V548-L550 VanDerWaalsContact C-N 3.33Å; V548-L550 PolarHBondContact O-N 2.86Å; V548-L551 WeakPolarHBondContact O-CB 3.26Å; V548-L551 PolarHBondContact O-N 2.94Å; V548-L551 VanDerWaalsContact O-N 3.12Å; V548-E552 PolarHBondContact O-N 3.43Å; V548-P559 HydrophobicContact CG1-CB 3.85Å; V548-P559 HydrophobicContact CG1-CG 4.21Å; V548-V572 HydrophobicContact CB-CG2 4.48Å; V548-V572 HydrophobicContact CG1-CG2 4.23Å; V548-V572 HydrophobicContact CG2-CG2 3.6Å
549	V	98.8	Very high	97.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.3	-37.8	173	176.1	0	0	0	0	111.7	L441 I485 I490 Y526 S545 F546 L551 E552 L553	L441-V549 HydrophobicContact CD2-CG1 3.83Å; I485-V549 HydrophobicContact CG2-CG2 4.35Å; I490-V549 HydrophobicContact CD1-CG1 3.75Å; I490-V549 HydrophobicContact CD1-CG2 4.28Å; Y526-V549 HydrophobicContact CD1-CG2 4.42Å; Y526-V549 HydrophobicContact CE1-CG2 3.91Å; S545-V549 PolarHBondContact O-N 2.92Å; F546-V549 HydrophobicContact CD2-CB 4.41Å; F546-V549 WeakPolarHBondContact O-CA 3.45Å; F546-V549 WeakPolarHBondContact O-CB 3.33Å; F546-V549 PolarHBondContact O-N 3.09Å; V549-L551 VanDerWaalsContact C-N 3.31Å; V549-L551 PolarHBondContact O-N 2.93Å; V549-E552 WeakPolarHBondContact O-CB 3.27Å; V549-E552 PolarHBondContact O-N 3.02Å; V549-L553 HydrophobicContact CG1-CD1 4.29Å; V549-L553 WeakPolarHBondContact O-CG 3.35Å; V549-L553 PolarHBondContact O-N 2.99Å
550	L	98.7	Very high	97.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62	-38.8	171.8	-65.4	179.8	0	0	0	111.5	A462 F546 G547 V548 L553 I554 M608 A611 A612 L633	A462-L550 HydrophobicContact CB-CD2 3.72Å; F546-L550 HydrophobicContact CD1-CD1 4.18Å; F546-L550 HydrophobicContact CD1-CG 4.18Å; F546-L550 HydrophobicContact CE1-CD1 3.79Å; F546-L550 HydrophobicContact CE1-CD2 3.77Å; F546-L550 HydrophobicContact CE1-CG 3.73Å; F546-L550 HydrophobicContact CZ-CD2 3.68Å; F546-L550 HydrophobicContact CZ-CG 4.04Å; F546-L550 PolarHBondContact O-N 3.23Å; G547-L550 PolarHBondContact O-N 2.88Å; V548-L550 VanDerWaalsContact C-N 3.33Å; V548-L550 PolarHBondContact O-N 2.86Å; L550-L553 HydrophobicContact CD2-CD1 4.47Å; L550-L553 PolarHBondContact O-N 3.26Å; L550-I554 WeakPolarHBondContact O-CD1 3.38Å; L550-I554 VanDerWaalsContact O-CG1 3.27Å; L550-I554 WeakPolarHBondContact O-CG1 3.4Å; L550-I554 PolarHBondContact O-N 3.47Å; L550-M608 HydrophobicContact CD2-CG 4.1Å; L550-M608 HydrophobicContact CD2-SD 4.41Å; L550-A611 HydrophobicContact CD1-CB 3.86Å; L550-A612 HydrophobicContact CB-CB 3.78Å; L550-A612 HydrophobicContact CD1-CB 4.31Å; L550-L633 HydrophobicContact CD2-CD1 4.38Å; L550-L633 HydrophobicContact CD2-CD2 4.48Å
551	L	98.5	Very high	97.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.3	-39.2	172.7	-62.1	179.8	0	0	0	112.5	G547 V548 V549 L553 I554 T555 L571 V572 A575 L579 A612 I616	G547-L551 WeakPolarHBondContact O-CG 3.31Å; G547-L551 PolarHBondContact O-N 3.42Å; G547-L551 VanDerWaalsContact O-N 3.1Å; V548-L551 WeakPolarHBondContact O-CB 3.26Å; V548-L551 PolarHBondContact O-N 2.94Å; V548-L551 VanDerWaalsContact O-N 3.12Å; V549-L551 VanDerWaalsContact C-N 3.31Å; V549-L551 PolarHBondContact O-N 2.93Å; L551-L553 VanDerWaalsContact C-N 3.28Å; L551-L553 PolarHBondContact O-N 3.34Å; L551-I554 PolarHBondContact O-N 2.95Å; L551-T555 VanDerWaalsContact O-CB 3.25Å; L551-T555 WeakPolarHBondContact O-CB 3.47Å; L551-T555 WeakPolarHBondContact O-CG2 3.47Å; L551-T555 PolarHBondContact O-N 3.4Å; L551-T555 PolarHBondContact O-OG1 3.16Å; L551-L571 HydrophobicContact CB-CD2 3.75Å; L551-L571 HydrophobicContact CB-CG 3.95Å; L551-L571 HydrophobicContact CD1-CG 4.26Å; L551-V572 HydrophobicContact CD1-CG2 4.33Å; L551-A575 HydrophobicContact CD1-CB 3.91Å; L551-A575 HydrophobicContact CD2-CB 4.12Å; L551-L579 HydrophobicContact CD2-CD1 3.89Å; L551-L579 HydrophobicContact CD2-CD2 4.05Å; L551-L579 HydrophobicContact CD2-CG 4.44Å; L551-A612 HydrophobicContact CD2-CB 3.82Å; L551-A612 HydrophobicContact CG-CB 4.39Å; L551-I616 HydrophobicContact CD1-CD1 4.03Å; L551-I616 HydrophobicContact CD1-CG2 4.32Å
552	E	98.4	Very high	96.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.3	-41	173.1	-65.6	-174.2	80.7	0	0	111.3	L445 H446 S487 Y526 V548 V549 G556 P559 L571	L445-E552 HydrophobicContact CD1-CB 3.82Å; H446-E552 IonicContact CD2-OE1 2.98Å; H446-E552 IonicContact CE1-OE1 2.66Å; H446-E552 IonicContact NE2-OE1 3.09Å; H446-E552 PolarHBondContact NE2-OE1 2.86Å; S487-E552 VanDerWaalsContact CB-OE1 3.32Å; S487-E552 WeakPolarHBondContact CB-OE1 3.39Å; S487-E552 VanDerWaalsContact CB-OE2 3.23Å; S487-E552 WeakPolarHBondContact CB-OE2 3.24Å; S487-E552 VanDerWaalsContact OG-CD 3.24Å; S487-E552 PolarHBondContact OG-OE1 3.17Å; S487-E552 PolarHBondContact OG-OE2 2.98Å; S487-E552 VanDerWaalsContact OG-OE2 3.06Å; Y526-E552 VanDerWaalsContact CE1-OE2 3.29Å; Y526-E552 WeakPolarHBondContact CE1-OE2 3.41Å; Y526-E552 VanDerWaalsContact OH-CD 3.31Å; Y526-E552 PolarHBondContact OH-OE1 2.84Å; Y526-E552 PolarHBondContact OH-OE2 2.82Å; V548-E552 PolarHBondContact O-N 3.43Å; V549-E552 WeakPolarHBondContact O-CB 3.27Å; V549-E552 PolarHBondContact O-N 3.02Å; E552-G556 WeakPolarHBondContact O-CA 3.48Å; E552-G556 PolarHBondContact O-N 2.89Å; E552-P559 HydrophobicContact CG-CG 3.99Å; E552-L571 HydrophobicContact CG-CD2 4.1Å
553	L	98.4	Very high	96.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-68.6	-43.4	178.1	-72.3	167.8	0	0	0	112.9	L441 L445 L453 R458 A462 V549 L550 L551 M608	L441-L553 HydrophobicContact CD1-CD2 3.77Å; L441-L553 HydrophobicContact CD2-CD1 4.42Å; L441-L553 HydrophobicContact CD2-CD2 4.03Å; L441-L553 HydrophobicContact CD2-CG 4.26Å; L441-L553 HydrophobicContact CG-CD2 4.48Å; L445-L553 HydrophobicContact CD1-CD2 4.3Å; L445-L553 HydrophobicContact CD2-CD2 4.48Å; L453-L553 HydrophobicContact CD2-CD2 4.42Å; R458-L553 HydrophobicContact CB-CD2 3.97Å; R458-L553 WeakPolarHBondContact CD-O 2.87Å; R458-L553 HydrophobicContact CG-CD2 4.11Å; R458-L553 PolarHBondContact NH1-O 3.26Å; A462-L553 HydrophobicContact CB-CD1 3.91Å; V549-L553 HydrophobicContact CG1-CD1 4.29Å; V549-L553 WeakPolarHBondContact O-CG 3.35Å; V549-L553 PolarHBondContact O-N 2.99Å; L550-L553 HydrophobicContact CD2-CD1 4.47Å; L550-L553 PolarHBondContact O-N 3.26Å; L551-L553 VanDerWaalsContact C-N 3.28Å; L551-L553 PolarHBondContact O-N 3.34Å; L553-M608 HydrophobicContact CB-SD 4.22Å
554	I	97.8	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.3	-49.2	177.7	-66.6	157.5	0	0	0	110.8	L550 L551 L591 D593 M605 M608 I609 A612	L550-I554 WeakPolarHBondContact O-CD1 3.38Å; L550-I554 VanDerWaalsContact O-CG1 3.27Å; L550-I554 WeakPolarHBondContact O-CG1 3.4Å; L550-I554 PolarHBondContact O-N 3.47Å; L551-I554 PolarHBondContact O-N 2.95Å; I554-L591 HydrophobicContact CG2-CD2 4.06Å; I554-L591 HydrophobicContact CG2-CG 3.93Å; I554-D593 WeakPolarHBondContact O-CB 3.42Å; I554-D593 PolarHBondContact O-N 3.45Å; I554-M605 HydrophobicContact CG1-SD 4.4Å; I554-M605 HydrophobicContact CG2-SD 3.98Å; I554-M608 HydrophobicContact CD1-CB 4.45Å; I554-M608 HydrophobicContact CD1-CG 4.06Å; I554-M608 HydrophobicContact CG1-CB 4.39Å; I554-M608 HydrophobicContact CG1-CG 3.97Å; I554-M608 HydrophobicContact CG1-SD 3.84Å; I554-I609 HydrophobicContact CD1-CG1 3.87Å; I554-I609 HydrophobicContact CG1-CG1 4.41Å; I554-I609 HydrophobicContact CG2-CG1 4.19Å; I554-A612 HydrophobicContact CD1-CB 3.86Å
555	T	96.7	Very high	95.2	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.043	18%	0.177	C	C	.	.	H	α-helix	trans	-95.2	-20.2	-163.5	70.8	0	0	0	0	114	L551 R557 L571 W574 L591 D593	L551-T555 VanDerWaalsContact O-CB 3.25Å; L551-T555 WeakPolarHBondContact O-CB 3.47Å; L551-T555 WeakPolarHBondContact O-CG2 3.47Å; L551-T555 PolarHBondContact O-N 3.4Å; L551-T555 PolarHBondContact O-OG1 3.16Å; T555-R557 PolarHBondContact O-N 3.18Å; T555-R557 VanDerWaalsContact O-N 3.16Å; T555-R557 WeakPolarHBondContact OG1-CB 3.45Å; T555-R557 PolarHBondContact OG1-N 3.42Å; T555-L571 HydrophobicContact CG2-CD1 4.19Å; T555-W574 HydrophobicContact CG2-CH2 4.49Å; T555-W574 HydrophobicContact CG2-CZ3 3.88Å; T555-L591 VanDerWaalsContact CA-O 3.28Å; T555-L591 WeakPolarHBondContact CA-O 3.49Å; T555-L591 WeakPolarHBondContact CB-O 3.46Å; T555-L591 HydrophobicContact CG2-CD1 3.91Å; T555-L591 HydrophobicContact CG2-CG 4.23Å; T555-L591 WeakPolarHBondContact CG2-O 3.16Å; T555-D593 WeakPolarHBondContact O-CA 3.43Å
556	G	96	Very high	94.3	Very high	13 Å²	13	37.6 Å²	37.6	13%	0.134	22%	0.216	C	C	.	.			trans	67	3.8	-169.5	0	0	0	0	0	114.6	E552 D593	E552-G556 WeakPolarHBondContact O-CA 3.48Å; E552-G556 PolarHBondContact O-N 2.89Å; G556-D593 WeakPolarHBondContact CA-OD2 3.46Å
557	R	95.6	Very high	93.3	Very high	81 Å²	81	39.5 Å²	39.5	31%	0.306	24%	0.236	S	C	.	.			trans	-90.3	155.7	-177.9	-60.4	-179.3	-178.6	-150.9	4.2	111.4	H446 T555 L571 W574	H446-R557 PolarHBondContact CE1-O 2.78Å; T555-R557 PolarHBondContact O-N 3.18Å; T555-R557 VanDerWaalsContact O-N 3.16Å; T555-R557 WeakPolarHBondContact OG1-CB 3.45Å; T555-R557 PolarHBondContact OG1-N 3.42Å; R557-L571 HydrophobicContact CB-CD1 3.76Å; R557-L571 HydrophobicContact CG-CD1 4.5Å; R557-W574 VanDerWaalsContact NH1-CZ2 3.32Å
558	K	95.9	Very high	92.5	Very high	86 Å²	86	42.5 Å²	42.5	37%	0.374	25%	0.252	S	S	.	.			trans	-76.2	149.6	173.3	-69.5	178.8	177.6	179.7	0	110.8	H446 V560 D561 L571	H446-K558 WeakPolarHBondContact ND1-CG 3.47Å; K558-V560 PolarHBondContact O-N 3.12Å; K558-D561 HydrophobicContact CB-CB 4.4Å; K558-L571 WeakPolarHBondContact O-CB 3.42Å
559	P	95.3	Very high	92.1	Very high	8 Å²	8	45.1 Å²	45.1	5%	0.052	26%	0.264	C	S	.	.	S	Bend	trans	-56.6	-36.1	176.8	-20.3	27.1	0	0	0	113.6	Y526 V548 E552 L571	Y526-P559 HydrophobicContact CD2-CG 4.49Å; Y526-P559 HydrophobicContact CE1-CG 3.82Å; Y526-P559 HydrophobicContact CE2-CB 4.2Å; Y526-P559 HydrophobicContact CE2-CG 3.65Å; Y526-P559 WeakPolarHBondContact OH-CG 3.44Å; V548-P559 HydrophobicContact CG1-CB 3.85Å; V548-P559 HydrophobicContact CG1-CG 4.21Å; E552-P559 HydrophobicContact CG-CG 3.99Å; P559-L571 WeakPolarHBondContact O-CB 3.43Å; P559-L571 PolarHBondContact O-N 3.08Å
560	V	94.1	Very high	91.8	Very high	51 Å²	51	46.2 Å²	46.2	31%	0.309	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-135.2	126.3	175	-175.5	0	0	0	0	108.1	F524 K558 E569	F524-V560 HydrophobicContact CD1-CG2 3.8Å; F524-V560 HydrophobicContact CE1-CG1 4.28Å; F524-V560 HydrophobicContact CE1-CG2 3.72Å; K558-V560 PolarHBondContact O-N 3.12Å; V560-E569 CarbonylContact C-O 3.45Å; V560-E569 VanDerWaalsContact CA-O 3.23Å; V560-E569 WeakPolarHBondContact CA-O 3.39Å
561	D	90.9	Very high	91.7	Very high	35 Å²	35	46.4 Å²	46.4	19%	0.187	27%	0.273	C	S	.	.			trans	-140.9	96.2	-179.2	-177	4.4	0	0	0	110.6	K558 S563 K564 E569	K558-D561 HydrophobicContact CB-CB 4.4Å; D561-S563 VanDerWaalsContact CG-OG 3.23Å; D561-S563 PolarHBondContact O-N 3.19Å; D561-S563 WeakPolarHBondContact OD1-CB 3.36Å; D561-S563 PolarHBondContact OD1-N 3.1Å; D561-S563 PolarHBondContact OD1-OG 2.87Å; D561-S563 PolarHBondContact OD2-OG 3.14Å; D561-K564 HydrophobicContact CB-CG 3.9Å; D561-K564 WeakPolarHBondContact O-CB 3.2Å; D561-K564 WeakPolarHBondContact O-CG 3.5Å; D561-K564 PolarHBondContact O-N 3.34Å; D561-K564 WeakPolarHBondContact OD2-CE 3.44Å; D561-K564 IonicContact OD2-NZ 3.42Å; D561-K564 PolarHBondContact OD2-NZ 3.31Å; D561-K564 VanDerWaalsContact OD2-NZ 3.1Å; D561-E569 PolarHBondContact N-O 3.09Å
562	A	87.7	Confident	91.5	Very high	88 Å²	88	46.6 Å²	46.6	73%	0.727	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	4.6	178	0	0	0	0	0	114.2
563	S	88.7	Confident	91.3	Very high	94 Å²	94	49.8 Å²	49.8	66%	0.657	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-3.3	166.6	75	0	0	0	0	113.6	D561	D561-S563 VanDerWaalsContact CG-OG 3.23Å; D561-S563 PolarHBondContact O-N 3.19Å; D561-S563 WeakPolarHBondContact OD1-CB 3.36Å; D561-S563 PolarHBondContact OD1-N 3.1Å; D561-S563 PolarHBondContact OD1-OG 2.87Å; D561-S563 PolarHBondContact OD2-OG 3.14Å
564	K	88	Confident	91.1	Very high	76 Å²	76	51 Å²	51	33%	0.33	29%	0.293	S	S	.	.	S	Bend	trans	-84.2	162	175	-59.6	-52	-176.6	-141.6	0	112.3	D561 D568	D561-K564 HydrophobicContact CB-CG 3.9Å; D561-K564 WeakPolarHBondContact O-CB 3.2Å; D561-K564 WeakPolarHBondContact O-CG 3.5Å; D561-K564 PolarHBondContact O-N 3.34Å; D561-K564 WeakPolarHBondContact OD2-CE 3.44Å; D561-K564 IonicContact OD2-NZ 3.42Å; D561-K564 PolarHBondContact OD2-NZ 3.31Å; D561-K564 VanDerWaalsContact OD2-NZ 3.1Å; K564-D568 HydrophobicContact CB-CB 3.97Å
565	P	85.3	Confident	91	Very high	85 Å²	85	51 Å²	51	55%	0.552	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-53.9	149.3	169.1	-25.5	35.6	0	0	0	112.4	G567 D568	P565-G567 PolarHBondContact O-N 3.09Å; P565-G567 VanDerWaalsContact O-N 3.14Å; P565-D568 PolarHBondContact O-N 2.85Å
566	L	80.2	Confident	90.9	Very high	165 Å²	165	52.8 Å²	52.8	86%	0.864	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	118.2	176.7	-71.7	169.3	0	0	0	110.6
567	G	77.3	Confident	90.7	Very high	40 Å²	40	56 Å²	56	41%	0.412	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.9	-42.7	-171.3	0	0	0	0	0	113.5	P565 E569	P565-G567 PolarHBondContact O-N 3.09Å; P565-G567 VanDerWaalsContact O-N 3.14Å; G567-E569 VanDerWaalsContact C-N 3.27Å; G567-E569 PolarHBondContact O-N 3.12Å
568	D	82.7	Confident	90.7	Very high	63 Å²	63	53.1 Å²	53.1	34%	0.337	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.1	178.7	-71.6	-9	0	0	0	113.1	K564 P565 S570	K564-D568 HydrophobicContact CB-CB 3.97Å; P565-D568 PolarHBondContact O-N 2.85Å; D568-S570 PolarHBondContact O-N 3.18Å; D568-S570 VanDerWaalsContact O-N 3.11Å
569	E	88.7	Confident	90.6	Very high	54 Å²	54	49.2 Å²	49.2	25%	0.252	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-23.5	177.8	-60.5	166.8	88	0	0	113.5	V560 D561 G567	V560-E569 CarbonylContact C-O 3.45Å; V560-E569 VanDerWaalsContact CA-O 3.23Å; V560-E569 WeakPolarHBondContact CA-O 3.39Å; D561-E569 PolarHBondContact N-O 3.09Å; G567-E569 VanDerWaalsContact C-N 3.27Å; G567-E569 PolarHBondContact O-N 3.12Å
570	S	93.4	Very high	90.5	Very high	23 Å²	23	50.7 Å²	50.7	16%	0.161	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-105.7	114.4	178.4	178.1	0	0	0	0	110.3	D568 V572 E573 W574	D568-S570 PolarHBondContact O-N 3.18Å; D568-S570 VanDerWaalsContact O-N 3.11Å; S570-V572 PolarHBondContact O-N 2.85Å; S570-V572 VanDerWaalsContact O-N 3.17Å; S570-E573 PolarHBondContact O-N 3.29Å; S570-E573 VanDerWaalsContact O-N 3.11Å; S570-W574 PolarHBondContact O-N 2.65Å
571	L	95.8	Very high	90.4	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-53.5	-39	179.3	-178.7	54.9	0	0	0	112.5	L551 E552 T555 R557 K558 P559 W574 A575	L551-L571 HydrophobicContact CB-CD2 3.75Å; L551-L571 HydrophobicContact CB-CG 3.95Å; L551-L571 HydrophobicContact CD1-CG 4.26Å; E552-L571 HydrophobicContact CG-CD2 4.1Å; T555-L571 HydrophobicContact CG2-CD1 4.19Å; R557-L571 HydrophobicContact CB-CD1 3.76Å; R557-L571 HydrophobicContact CG-CD1 4.5Å; K558-L571 WeakPolarHBondContact O-CB 3.42Å; P559-L571 WeakPolarHBondContact O-CB 3.43Å; P559-L571 PolarHBondContact O-N 3.08Å; L571-W574 HydrophobicContact CD1-CE3 3.94Å; L571-W574 HydrophobicContact CD1-CZ3 4.11Å; L571-A575 WeakPolarHBondContact O-CB 3.48Å; L571-A575 PolarHBondContact O-N 2.95Å
572	V	95.5	Very high	90.5	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.024	30%	0.295	C	S	.	.	H	α-helix	trans	-67.5	-44.6	-178.8	178.3	0	0	0	0	111.1	F544 V548 L551 S570 A575 R576 I616	F544-V572 HydrophobicContact CZ-CG1 4.13Å; V548-V572 HydrophobicContact CB-CG2 4.48Å; V548-V572 HydrophobicContact CG1-CG2 4.23Å; V548-V572 HydrophobicContact CG2-CG2 3.6Å; L551-V572 HydrophobicContact CD1-CG2 4.33Å; S570-V572 PolarHBondContact O-N 2.85Å; S570-V572 VanDerWaalsContact O-N 3.17Å; V572-A575 PolarHBondContact O-N 3.18Å; V572-R576 WeakPolarHBondContact O-CG 3.37Å; V572-R576 PolarHBondContact O-N 3.33Å; V572-I616 HydrophobicContact CG1-CB 4.47Å; V572-I616 HydrophobicContact CG1-CD1 4.34Å
573	E	93.2	Very high	90.7	Very high	67 Å²	67	48.6 Å²	48.6	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-76.9	-34.9	-175.6	-57.5	-54.7	118.6	0	0	111.6	S570 R576 P577	S570-E573 PolarHBondContact O-N 3.29Å; S570-E573 VanDerWaalsContact O-N 3.11Å; E573-R576 VanDerWaalsContact CD-NE 3.34Å; E573-R576 IonicContact OE1-CZ 3.39Å; E573-R576 VanDerWaalsContact OE1-CZ 3.24Å; E573-R576 IonicContact OE1-NE 2.88Å; E573-R576 PolarHBondContact OE1-NE 3.37Å; E573-R576 IonicContact OE1-NH2 2.81Å; E573-R576 PolarHBondContact OE1-NH2 2.85Å; E573-R576 IonicContact OE2-NE 3.67Å; E573-R576 PolarHBondContact OE2-NE 3.45Å; E573-P577 WeakPolarHBondContact O-CD 3.47Å
574	W	94.6	Very high	90.8	Very high	26 Å²	26	50.4 Å²	50.4	10%	0.098	27%	0.27	C	S	.	.	H	α-helix	trans	-64.5	-42	169	170.6	77.8	0	0	0	112.4	T555 R557 S570 L571 P577 L578 E590 L591	T555-W574 HydrophobicContact CG2-CH2 4.49Å; T555-W574 HydrophobicContact CG2-CZ3 3.88Å; R557-W574 VanDerWaalsContact NH1-CZ2 3.32Å; S570-W574 PolarHBondContact O-N 2.65Å; L571-W574 HydrophobicContact CD1-CE3 3.94Å; L571-W574 HydrophobicContact CD1-CZ3 4.11Å; W574-P577 WeakPolarHBondContact O-CD 3.26Å; W574-P577 WeakPolarHBondContact O-CG 3.42Å; W574-L578 HydrophobicContact CD2-CD1 4.23Å; W574-L578 VanDerWaalsContact CE2-CD1 3.48Å; W574-L578 HydrophobicContact CH2-CD1 3.7Å; W574-L578 HydrophobicContact CZ2-CD1 3.16Å; W574-L578 HydrophobicContact CZ3-CD1 4.39Å; W574-E590 WeakPolarHBondContact CH2-O 3.44Å; W574-L591 HydrophobicContact CH2-CD1 4.2Å; W574-L591 HydrophobicContact CZ3-CD1 4.05Å
575	A	95.4	Very high	91	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-76.3	-27.5	-177.1	0	0	0	0	0	113.9	L551 L571 V572 L578 L579 L591	L551-A575 HydrophobicContact CD1-CB 3.91Å; L551-A575 HydrophobicContact CD2-CB 4.12Å; L571-A575 WeakPolarHBondContact O-CB 3.48Å; L571-A575 PolarHBondContact O-N 2.95Å; V572-A575 PolarHBondContact O-N 3.18Å; A575-L578 PolarHBondContact O-N 3.16Å; A575-L578 VanDerWaalsContact O-N 3.15Å; A575-L579 HydrophobicContact CB-CD1 3.9Å; A575-L579 HydrophobicContact CB-CG 4.29Å; A575-L579 WeakPolarHBondContact O-CB 3.47Å; A575-L579 WeakPolarHBondContact O-CD1 3.21Å; A575-L579 WeakPolarHBondContact O-CG 3.31Å; A575-L579 PolarHBondContact O-N 3.46Å; A575-L591 HydrophobicContact CB-CD1 3.98Å
576	R	94	Very high	91.1	Very high	45 Å²	45	49.3 Å²	49.3	17%	0.17	28%	0.277	C	S	.	.	H	α-helix	trans	-46.5	-53.2	-179.3	-89.3	179.8	-151.8	-54	-1.2	115.4	V572 E573 T580 I616	V572-R576 WeakPolarHBondContact O-CG 3.37Å; V572-R576 PolarHBondContact O-N 3.33Å; E573-R576 VanDerWaalsContact CD-NE 3.34Å; E573-R576 IonicContact OE1-CZ 3.39Å; E573-R576 VanDerWaalsContact OE1-CZ 3.24Å; E573-R576 IonicContact OE1-NE 2.88Å; E573-R576 PolarHBondContact OE1-NE 3.37Å; E573-R576 IonicContact OE1-NH2 2.81Å; E573-R576 PolarHBondContact OE1-NH2 2.85Å; E573-R576 IonicContact OE2-NE 3.67Å; E573-R576 PolarHBondContact OE2-NE 3.45Å; R576-T580 PolarHBondContact O-N 2.82Å; R576-T580 PolarHBondContact O-OG1 2.82Å; R576-I616 PolarHBondContact NH1-O 3.2Å
577	P	93	Very high	91.6	Very high	81 Å²	81	45 Å²	45	53%	0.526	26%	0.255	S	S	.	.	H	α-helix	trans	-64.6	-46.5	177.4	23.7	-33.4	0	0	0	111.6	E573 W574 L579 T580 E581	E573-P577 WeakPolarHBondContact O-CD 3.47Å; W574-P577 WeakPolarHBondContact O-CD 3.26Å; W574-P577 WeakPolarHBondContact O-CG 3.42Å; P577-L579 VanDerWaalsContact C-N 3.34Å; P577-L579 PolarHBondContact O-N 3.05Å; P577-T580 WeakPolarHBondContact O-CA 3.42Å; P577-T580 WeakPolarHBondContact O-CB 3.25Å; P577-T580 PolarHBondContact O-N 3.26Å; P577-E581 PolarHBondContact O-N 2.88Å
578	L	94.6	Very high	92.2	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.105	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-35.5	-177.9	-62.5	177.6	0	0	0	113.2	W574 A575 T580 A582 E590 L591	W574-L578 HydrophobicContact CD2-CD1 4.23Å; W574-L578 VanDerWaalsContact CE2-CD1 3.48Å; W574-L578 HydrophobicContact CH2-CD1 3.7Å; W574-L578 HydrophobicContact CZ2-CD1 3.16Å; W574-L578 HydrophobicContact CZ3-CD1 4.39Å; A575-L578 PolarHBondContact O-N 3.16Å; A575-L578 VanDerWaalsContact O-N 3.15Å; L578-T580 VanDerWaalsContact C-N 3.29Å; L578-T580 PolarHBondContact O-N 3.41Å; L578-A582 WeakPolarHBondContact O-CB 3.49Å; L578-A582 PolarHBondContact O-N 3.08Å; L578-E590 HydrophobicContact CD1-CB 4.12Å; L578-E590 HydrophobicContact CD2-CB 4.14Å; L578-L591 HydrophobicContact CB-CD1 4.21Å
579	L	95.2	Very high	92.4	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-67.1	-31.6	172.6	-68.5	161.7	0	0	0	112.2	L551 A575 P577 I583 L591 I609 A613 I616	L551-L579 HydrophobicContact CD2-CD1 3.89Å; L551-L579 HydrophobicContact CD2-CD2 4.05Å; L551-L579 HydrophobicContact CD2-CG 4.44Å; A575-L579 HydrophobicContact CB-CD1 3.9Å; A575-L579 HydrophobicContact CB-CG 4.29Å; A575-L579 WeakPolarHBondContact O-CB 3.47Å; A575-L579 WeakPolarHBondContact O-CD1 3.21Å; A575-L579 WeakPolarHBondContact O-CG 3.31Å; A575-L579 PolarHBondContact O-N 3.46Å; P577-L579 VanDerWaalsContact C-N 3.34Å; P577-L579 PolarHBondContact O-N 3.05Å; L579-I583 WeakPolarHBondContact O-CD1 3.49Å; L579-I583 VanDerWaalsContact O-CG1 3.26Å; L579-I583 WeakPolarHBondContact O-CG1 3.41Å; L579-I583 PolarHBondContact O-N 3.31Å; L579-L591 HydrophobicContact CD2-CD1 4.45Å; L579-L591 HydrophobicContact CD2-CD2 3.58Å; L579-L591 HydrophobicContact CG-CD1 4.47Å; L579-L591 HydrophobicContact CG-CD2 4.27Å; L579-I609 HydrophobicContact CD2-CG2 3.96Å; L579-A613 HydrophobicContact CB-CB 4.24Å; L579-A613 HydrophobicContact CD2-CB 4.37Å; L579-I616 HydrophobicContact CD1-CD1 3.31Å; L579-I616 HydrophobicContact CD1-CG1 4.44Å
580	T	91.8	Very high	92.5	Very high	39 Å²	39	48 Å²	48	24%	0.239	27%	0.273	C	S	.	.	H	α-helix	trans	-74	-48	176.9	-55	0	0	0	0	109.7	R576 P577 L578 A582 I583 E584 P647	R576-T580 PolarHBondContact O-N 2.82Å; R576-T580 PolarHBondContact O-OG1 2.82Å; P577-T580 WeakPolarHBondContact O-CA 3.42Å; P577-T580 WeakPolarHBondContact O-CB 3.25Å; P577-T580 PolarHBondContact O-N 3.26Å; L578-T580 VanDerWaalsContact C-N 3.29Å; L578-T580 PolarHBondContact O-N 3.41Å; T580-A582 PolarHBondContact O-N 2.91Å; T580-I583 PolarHBondContact O-N 3.05Å; T580-E584 WeakPolarHBondContact O-CB 3.45Å; T580-E584 WeakPolarHBondContact O-CG 3.39Å; T580-E584 PolarHBondContact O-N 2.91Å; T580-P647 HydrophobicContact CG2-CB 3.95Å
581	E	92.7	Very high	92.5	Very high	80 Å²	80	47.1 Å²	47.1	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-57.7	-45.6	173.2	-174.4	-175.9	154.4	0	0	112	P577 I583 E584 T585 N587	P577-E581 PolarHBondContact O-N 2.88Å; E581-I583 VanDerWaalsContact C-N 3.34Å; E581-I583 PolarHBondContact O-N 2.81Å; E581-E584 PolarHBondContact O-N 3.44Å; E581-T585 HydrophobicContact CG-CG2 4.17Å; E581-T585 WeakPolarHBondContact O-CB 3.48Å; E581-T585 PolarHBondContact O-N 2.93Å; E581-T585 PolarHBondContact O-OG1 3.33Å; E581-N587 HydrophobicContact CG-CB 4.49Å; E581-N587 PolarHBondContact OE1-ND2 3.36Å
582	A	92.9	Very high	92.5	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-43.1	179	0	0	0	0	0	112.5	L578 T580 G586 N587 V588 F606 I609	L578-A582 WeakPolarHBondContact O-CB 3.49Å; L578-A582 PolarHBondContact O-N 3.08Å; T580-A582 PolarHBondContact O-N 2.91Å; A582-G586 WeakPolarHBondContact O-CA 3.43Å; A582-G586 PolarHBondContact O-N 2.75Å; A582-N587 VanDerWaalsContact CA-O 3.32Å; A582-N587 WeakPolarHBondContact CA-O 3.37Å; A582-N587 WeakPolarHBondContact CB-O 3.46Å; A582-V588 HydrophobicContact CB-CG1 4.16Å; A582-F606 WeakPolarHBondContact O-CE2 3.32Å; A582-I609 HydrophobicContact CB-CG2 4.19Å
583	I	91	Very high	92.5	Very high	49 Å²	49	48.1 Å²	48.1	25%	0.251	27%	0.271	S	S	.	.	H	α-helix	trans	-75	-32.2	179.1	-63.8	166.9	0	0	0	111.6	L579 T580 E581 I609 E610 A613 P647	L579-I583 WeakPolarHBondContact O-CD1 3.49Å; L579-I583 VanDerWaalsContact O-CG1 3.26Å; L579-I583 WeakPolarHBondContact O-CG1 3.41Å; L579-I583 PolarHBondContact O-N 3.31Å; T580-I583 PolarHBondContact O-N 3.05Å; E581-I583 VanDerWaalsContact C-N 3.34Å; E581-I583 PolarHBondContact O-N 2.81Å; I583-I609 HydrophobicContact CG1-CG2 4.45Å; I583-E610 HydrophobicContact CG1-CG 4.45Å; I583-A613 HydrophobicContact CD1-CB 3.64Å; I583-P647 HydrophobicContact CB-CG 4.13Å; I583-P647 HydrophobicContact CD1-CG 4.28Å; I583-P647 HydrophobicContact CG2-CG 3.67Å
584	E	90.7	Very high	92.6	Very high	133 Å²	133	50.1 Å²	50.1	62%	0.621	29%	0.293	S	S	*	.	H	α-helix	trans	-83.1	-25.7	-179.1	-70.7	-178.7	178	0	0	114.1	T580 E581	T580-E584 WeakPolarHBondContact O-CB 3.45Å; T580-E584 WeakPolarHBondContact O-CG 3.39Å; T580-E584 PolarHBondContact O-N 2.91Å; E581-E584 PolarHBondContact O-N 3.44Å
585	T	91.9	Very high	92.6	Very high	94 Å²	94	54 Å²	54	58%	0.577	31%	0.308	S	S	*	.	H	α-helix	trans	-125.4	-16.6	-172.1	70.2	0	0	0	0	115	E581 N587	E581-T585 HydrophobicContact CG-CG2 4.17Å; E581-T585 WeakPolarHBondContact O-CB 3.48Å; E581-T585 PolarHBondContact O-N 2.93Å; E581-T585 PolarHBondContact O-OG1 3.33Å; T585-N587 VanDerWaalsContact C-N 3.26Å; T585-N587 VanDerWaalsContact OG1-CB 3.31Å; T585-N587 WeakPolarHBondContact OG1-CB 3.33Å; T585-N587 PolarHBondContact OG1-N 2.83Å
586	G	88.2	Confident	92.6	Very high	44 Å²	44	54.3 Å²	54.3	45%	0.454	31%	0.309	S	S	.	.			trans	79.5	-3.2	-167.1	0	0	0	0	0	114.7	A582 V588	A582-G586 WeakPolarHBondContact O-CA 3.43Å; A582-G586 PolarHBondContact O-N 2.75Å; G586-V588 PolarHBondContact O-N 3.5Å
587	N	90.1	Very high	92.4	Very high	73 Å²	73	58.3 Å²	58.3	39%	0.39	33%	0.334	S	S	.	.			trans	-74.1	99.5	179.3	-176	20.6	0	0	0	112	E581 A582 T585 G589	E581-N587 HydrophobicContact CG-CB 4.49Å; E581-N587 PolarHBondContact OE1-ND2 3.36Å; A582-N587 VanDerWaalsContact CA-O 3.32Å; A582-N587 WeakPolarHBondContact CA-O 3.37Å; A582-N587 WeakPolarHBondContact CB-O 3.46Å; T585-N587 VanDerWaalsContact C-N 3.26Å; T585-N587 VanDerWaalsContact OG1-CB 3.31Å; T585-N587 WeakPolarHBondContact OG1-CB 3.33Å; T585-N587 PolarHBondContact OG1-N 2.83Å; N587-G589 PolarHBondContact OD1-N 2.84Å; N587-G589 VanDerWaalsContact OD1-N 3.16Å
588	V	90.5	Very high	92.3	Very high	33 Å²	33	63 Å²	63	20%	0.2	35%	0.346	C	S	.	.			trans	-96	-1.1	176.9	-62.7	0	0	0	0	113.6	A582 G586 E590 L591 I592 F606 I609	A582-V588 HydrophobicContact CB-CG1 4.16Å; G586-V588 PolarHBondContact O-N 3.5Å; V588-E590 PolarHBondContact O-N 3.15Å; V588-L591 PolarHBondContact O-N 2.91Å; V588-I592 HydrophobicContact CB-CD1 3.8Å; V588-I592 HydrophobicContact CB-CG1 4.33Å; V588-I592 HydrophobicContact CG2-CD1 3.51Å; V588-I592 WeakPolarHBondContact O-CG1 3.19Å; V588-I592 PolarHBondContact O-N 3.14Å; V588-F606 HydrophobicContact CG1-CD2 4.48Å; V588-I609 HydrophobicContact CB-CD1 4.02Å; V588-I609 HydrophobicContact CG1-CD1 3.53Å
589	G	87.8	Confident	92.2	Very high	54 Å²	54	67.1 Å²	67.1	56%	0.557	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-41.9	-160.9	0	0	0	0	0	116	N587	N587-G589 PolarHBondContact OD1-N 2.84Å; N587-G589 VanDerWaalsContact OD1-N 3.16Å
590	E	90.6	Very high	92.1	Very high	135 Å²	135	68.9 Å²	68.9	63%	0.631	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-16.6	-179.2	-62.6	-161.6	-177.3	0	0	113.9	W574 L578 V588	W574-E590 WeakPolarHBondContact CH2-O 3.44Å; L578-E590 HydrophobicContact CD1-CB 4.12Å; L578-E590 HydrophobicContact CD2-CB 4.14Å; V588-E590 PolarHBondContact O-N 3.15Å
591	L	93.4	Very high	92.2	Very high	3 Å²	3	70.3 Å²	70.3	2%	0.016	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-32.4	-174.8	-170.2	70.7	0	0	0	112.3	I554 T555 W574 A575 L578 L579 V588 I609	I554-L591 HydrophobicContact CG2-CD2 4.06Å; I554-L591 HydrophobicContact CG2-CG 3.93Å; T555-L591 VanDerWaalsContact CA-O 3.28Å; T555-L591 WeakPolarHBondContact CA-O 3.49Å; T555-L591 WeakPolarHBondContact CB-O 3.46Å; T555-L591 HydrophobicContact CG2-CD1 3.91Å; T555-L591 HydrophobicContact CG2-CG 4.23Å; T555-L591 WeakPolarHBondContact CG2-O 3.16Å; W574-L591 HydrophobicContact CH2-CD1 4.2Å; W574-L591 HydrophobicContact CZ3-CD1 4.05Å; A575-L591 HydrophobicContact CB-CD1 3.98Å; L578-L591 HydrophobicContact CB-CD1 4.21Å; L579-L591 HydrophobicContact CD2-CD1 4.45Å; L579-L591 HydrophobicContact CD2-CD2 3.58Å; L579-L591 HydrophobicContact CG-CD1 4.47Å; L579-L591 HydrophobicContact CG-CD2 4.27Å; V588-L591 PolarHBondContact O-N 2.91Å; L591-I609 HydrophobicContact CD2-CD1 3.83Å; L591-I609 HydrophobicContact CD2-CG1 3.76Å; L591-I609 HydrophobicContact CD2-CG2 4.4Å
592	I	95.8	Very high	92.1	Very high	23 Å²	23	74 Å²	74	12%	0.118	40%	0.399	C	S	.	.	S	Bend	trans	-76.4	143.7	-171.3	-65	172.5	0	0	0	111.9	V588 S594 L596 F600 M605	V588-I592 HydrophobicContact CB-CD1 3.8Å; V588-I592 HydrophobicContact CB-CG1 4.33Å; V588-I592 HydrophobicContact CG2-CD1 3.51Å; V588-I592 WeakPolarHBondContact O-CG1 3.19Å; V588-I592 PolarHBondContact O-N 3.14Å; I592-S594 PolarHBondContact O-N 3.23Å; I592-L596 HydrophobicContact CG2-CD1 4.22Å; I592-F600 HydrophobicContact CD1-CE1 4.04Å; I592-F600 HydrophobicContact CD1-CE2 3.83Å; I592-F600 HydrophobicContact CD1-CZ 3.48Å; I592-F600 VanDerWaalsContact CD1-CZ 3.48Å; I592-F600 HydrophobicContact CG2-CD1 4.25Å; I592-F600 HydrophobicContact CG2-CE1 3.8Å; I592-F600 HydrophobicContact CG2-CZ 4.33Å; I592-M605 HydrophobicContact CD1-CE 4.01Å; I592-M605 HydrophobicContact CD1-CG 3.66Å; I592-M605 HydrophobicContact CD1-SD 4.05Å; I592-M605 HydrophobicContact CG1-CE 3.97Å; I592-M605 HydrophobicContact CG1-CG 4.1Å; I592-M605 HydrophobicContact CG1-SD 3.86Å; I592-M605 HydrophobicContact CG2-CE 3.89Å
593	D	96	Very high	92.1	Very high	7 Å²	7	76.4 Å²	76.4	4%	0.037	42%	0.419	C	S	.	.			trans	-57.4	102.7	168.5	-171.9	-6.9	0	0	0	110.9	R458 I554 T555 G556 R595 L596	R458-D593 IonicContact CZ-OD2 3.85Å; R458-D593 VanDerWaalsContact CZ-OD2 3.25Å; R458-D593 IonicContact NH1-OD2 2.9Å; R458-D593 PolarHBondContact NH1-OD2 2.81Å; R458-D593 IonicContact NH2-OD2 2.64Å; R458-D593 PolarHBondContact NH2-OD2 2.93Å; I554-D593 WeakPolarHBondContact O-CB 3.42Å; I554-D593 PolarHBondContact O-N 3.45Å; T555-D593 WeakPolarHBondContact O-CA 3.43Å; G556-D593 WeakPolarHBondContact CA-OD2 3.46Å; D593-R595 PolarHBondContact O-N 3.42Å; D593-R595 VanDerWaalsContact OD1-CB 3.25Å; D593-R595 WeakPolarHBondContact OD1-CB 3.44Å; D593-R595 VanDerWaalsContact OD1-CG 3.28Å; D593-R595 WeakPolarHBondContact OD1-CG 3.28Å; D593-R595 IonicContact OD1-CZ 3.32Å; D593-R595 PolarHBondContact OD1-N 2.87Å; D593-R595 IonicContact OD1-NE 2.72Å; D593-R595 PolarHBondContact OD1-NE 3.38Å; D593-R595 IonicContact OD1-NH2 3.92Å; D593-R595 IonicContact OD2-CZ 3.33Å; D593-R595 IonicContact OD2-NE 2.66Å; D593-R595 PolarHBondContact OD2-NE 2.95Å; D593-R595 IonicContact OD2-NH2 2.74Å; D593-R595 PolarHBondContact OD2-NH2 2.98Å; D593-L596 HydrophobicContact CB-CD1 4.2Å; D593-L596 HydrophobicContact CB-CG 4.31Å; D593-L596 WeakPolarHBondContact O-CB 3.2Å; D593-L596 PolarHBondContact O-N 3.38Å
594	S	94.9	Very high	92.2	Very high	109 Å²	109	76.6 Å²	76.6	76%	0.762	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-58.3	-18.9	-178.1	57.8	0	0	0	0	113.7	I592 L596 D597	I592-S594 PolarHBondContact O-N 3.23Å; S594-L596 PolarHBondContact O-N 3.16Å; S594-D597 PolarHBondContact O-N 3.07Å
595	R	94.6	Very high	92.3	Very high	109 Å²	109	70.3 Å²	70.3	41%	0.411	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-67.1	-16.5	174.2	-56.3	176.7	-66.4	178.1	0.2	113.5	L445 V452 D593 D597	L445-R595 PolarHBondContact O-NH1 3.13Å; L445-R595 VanDerWaalsContact O-NH1 3.14Å; V452-R595 HydrophobicContact CG1-CB 3.88Å; V452-R595 HydrophobicContact CG2-CB 3.75Å; D593-R595 PolarHBondContact O-N 3.42Å; D593-R595 VanDerWaalsContact OD1-CB 3.25Å; D593-R595 WeakPolarHBondContact OD1-CB 3.44Å; D593-R595 VanDerWaalsContact OD1-CG 3.28Å; D593-R595 WeakPolarHBondContact OD1-CG 3.28Å; D593-R595 IonicContact OD1-CZ 3.32Å; D593-R595 PolarHBondContact OD1-N 2.87Å; D593-R595 IonicContact OD1-NE 2.72Å; D593-R595 PolarHBondContact OD1-NE 3.38Å; D593-R595 IonicContact OD1-NH2 3.92Å; D593-R595 IonicContact OD2-CZ 3.33Å; D593-R595 IonicContact OD2-NE 2.66Å; D593-R595 PolarHBondContact OD2-NE 2.95Å; D593-R595 IonicContact OD2-NH2 2.74Å; D593-R595 PolarHBondContact OD2-NH2 2.98Å; R595-D597 VanDerWaalsContact C-N 3.29Å
596	L	95.1	Very high	92.4	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.026	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-73.3	-18.2	176.2	-72.4	170.7	0	0	0	113.2	V452 W455 I592 D593 S594 K598 N599 F600 M605	V452-L596 HydrophobicContact CG1-CD2 4.19Å; W455-L596 HydrophobicContact CB-CD2 4.37Å; W455-L596 HydrophobicContact CE3-CD1 4.18Å; I592-L596 HydrophobicContact CG2-CD1 4.22Å; D593-L596 HydrophobicContact CB-CD1 4.2Å; D593-L596 HydrophobicContact CB-CG 4.31Å; D593-L596 WeakPolarHBondContact O-CB 3.2Å; D593-L596 PolarHBondContact O-N 3.38Å; S594-L596 PolarHBondContact O-N 3.16Å; L596-K598 VanDerWaalsContact C-N 3.28Å; L596-K598 PolarHBondContact O-N 2.8Å; L596-K598 VanDerWaalsContact O-N 3.16Å; L596-N599 VanDerWaalsContact O-CB 3.27Å; L596-N599 WeakPolarHBondContact O-CB 3.35Å; L596-N599 PolarHBondContact O-N 3.42Å; L596-N599 PolarHBondContact O-ND2 3.25Å; L596-F600 HydrophobicContact CB-CD1 4.19Å; L596-F600 HydrophobicContact CD1-CD1 4.27Å; L596-M605 HydrophobicContact CD1-CE 4.19Å
597	D	90.6	Very high	92.7	Very high	130 Å²	130	67.9 Å²	67.9	70%	0.695	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.6	48.8	179.5	-161.9	24.9	0	0	0	114.4	S594 R595 N599	S594-D597 PolarHBondContact O-N 3.07Å; R595-D597 VanDerWaalsContact C-N 3.29Å; D597-N599 PolarHBondContact O-N 3.21Å; D597-N599 VanDerWaalsContact O-N 3.16Å; D597-N599 PolarHBondContact O-ND2 3.31Å; D597-N599 VanDerWaalsContact O-ND2 3.12Å
598	K	89.5	Confident	92.9	Very high	179 Å²	179	64.5 Å²	64.5	78%	0.778	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	9.2	-176.8	-53.4	-173.6	-179.6	-173.5	0	116.6	L596 F600	L596-K598 VanDerWaalsContact C-N 3.28Å; L596-K598 PolarHBondContact O-N 2.8Å; L596-K598 VanDerWaalsContact O-N 3.16Å; K598-F600 PolarHBondContact O-N 3.29Å
599	N	93.2	Very high	93.2	Very high	106 Å²	106	63 Å²	63	57%	0.567	33%	0.33	S	S	*	.			trans	-79.1	58.8	173.9	-57.5	-73.5	0	0	0	111.6	W455 L596 D597	W455-N599 VanDerWaalsContact CB-O 3.23Å; W455-N599 WeakPolarHBondContact CB-O 3.31Å; L596-N599 VanDerWaalsContact O-CB 3.27Å; L596-N599 WeakPolarHBondContact O-CB 3.35Å; L596-N599 PolarHBondContact O-N 3.42Å; L596-N599 PolarHBondContact O-ND2 3.25Å; D597-N599 PolarHBondContact O-N 3.21Å; D597-N599 VanDerWaalsContact O-N 3.16Å; D597-N599 PolarHBondContact O-ND2 3.31Å; D597-N599 VanDerWaalsContact O-ND2 3.12Å
600	F	93.6	Very high	93.5	Very high	41 Å²	41	63.4 Å²	63.4	18%	0.18	32%	0.318	C	S	.	.	S	Bend	trans	-143.3	158.3	175.2	58.2	-97.8	0	0	0	110.8	W455 I592 L596 K598 E602 M605	W455-F600 HydrophobicContact CB-CB 3.82Å; W455-F600 HydrophobicContact CD2-CB 3.6Å; W455-F600 HydrophobicContact CE3-CB 4.13Å; W455-F600 HydrophobicContact CG-CB 3.4Å; W455-F600 VanDerWaalsContact CG-CB 3.4Å; I592-F600 HydrophobicContact CD1-CE1 4.04Å; I592-F600 HydrophobicContact CD1-CE2 3.83Å; I592-F600 HydrophobicContact CD1-CZ 3.48Å; I592-F600 VanDerWaalsContact CD1-CZ 3.48Å; I592-F600 HydrophobicContact CG2-CD1 4.25Å; I592-F600 HydrophobicContact CG2-CE1 3.8Å; I592-F600 HydrophobicContact CG2-CZ 4.33Å; L596-F600 HydrophobicContact CB-CD1 4.19Å; L596-F600 HydrophobicContact CD1-CD1 4.27Å; K598-F600 PolarHBondContact O-N 3.29Å; F600-E602 HydrophobicContact CE2-CG 4.08Å; F600-M605 HydrophobicContact CB-CE 4.02Å; F600-M605 HydrophobicContact CD1-CE 4.07Å; F600-M605 HydrophobicContact CD2-CB 3.94Å; F600-M605 HydrophobicContact CD2-CE 3.92Å; F600-M605 HydrophobicContact CD2-CG 4.22Å; F600-M605 HydrophobicContact CE2-CB 4.35Å; F600-M605 HydrophobicContact CE2-CE 4.42Å; F600-M605 HydrophobicContact CE2-CG 4.31Å; F600-M605 HydrophobicContact CG-CE 3.74Å
601	N	92.6	Very high	93.8	Very high	69 Å²	69	57 Å²	57	37%	0.369	29%	0.288	S	S	.	.			trans	-86.1	118.5	171.9	179.5	-48.1	0	0	0	109	A603 E604 M605	N601-A603 VanDerWaalsContact C-N 3.27Å; N601-A603 PolarHBondContact O-N 2.81Å; N601-A603 WeakPolarHBondContact OD1-CB 3.32Å; N601-A603 PolarHBondContact OD1-N 3Å; N601-E604 HydrophobicContact CB-CB 4Å; N601-E604 HydrophobicContact CB-CG 3.88Å; N601-E604 WeakPolarHBondContact CB-OE2 3.43Å; N601-E604 PolarHBondContact O-N 2.93Å; N601-E604 PolarHBondContact OD1-N 3.24Å; N601-E604 VanDerWaalsContact OD1-N 3.16Å; N601-M605 WeakPolarHBondContact O-CB 3.17Å; N601-M605 PolarHBondContact O-N 3.37Å
602	E	92	Very high	94	Very high	159 Å²	159	56.9 Å²	56.9	74%	0.743	29%	0.287	S	S	*	.	H	α-helix	trans	-57.8	-37.2	-175.5	-62.6	-177.1	158.1	0	0	112.9	F600 M605 F606	F600-E602 HydrophobicContact CE2-CG 4.08Å; E602-M605 PolarHBondContact O-N 3.22Å; E602-F606 WeakPolarHBondContact O-CB 3.32Å; E602-F606 PolarHBondContact O-N 2.88Å
603	A	91.6	Very high	94.1	Very high	50 Å²	50	56.7 Å²	56.7	41%	0.413	29%	0.289	S	S	.	.	H	α-helix	trans	-75.7	-33.7	179.6	0	0	0	0	0	112.7	N601 R607	N601-A603 VanDerWaalsContact C-N 3.27Å; N601-A603 PolarHBondContact O-N 2.81Å; N601-A603 WeakPolarHBondContact OD1-CB 3.32Å; N601-A603 PolarHBondContact OD1-N 3Å; A603-R607 PolarHBondContact O-N 2.88Å; A603-R607 VanDerWaalsContact O-N 3.12Å; A603-R607 PolarHBondContact O-NH1 3.32Å; A603-R607 VanDerWaalsContact O-NH1 3.09Å
604	E	93.1	Very high	94.1	Very high	53 Å²	53	56.5 Å²	56.5	25%	0.248	29%	0.289	C	S	.	.	H	α-helix	trans	-68.5	-40.4	170.6	-67	170	-172.9	0	0	111.5	W455 V459 N601 R607 M608	W455-E604 HydrophobicContact CZ2-CB 3.85Å; W455-E604 PolarHBondContact NE1-OE2 2.97Å; V459-E604 HydrophobicContact CG2-CB 4.44Å; N601-E604 HydrophobicContact CB-CB 4Å; N601-E604 HydrophobicContact CB-CG 3.88Å; N601-E604 WeakPolarHBondContact CB-OE2 3.43Å; N601-E604 PolarHBondContact O-N 2.93Å; N601-E604 PolarHBondContact OD1-N 3.24Å; N601-E604 VanDerWaalsContact OD1-N 3.16Å; E604-R607 VanDerWaalsContact CG-NH2 3.34Å; E604-R607 PolarHBondContact O-N 3.5Å; E604-M608 PolarHBondContact O-N 2.9Å
605	M	94.2	Very high	94.3	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-47.2	175.7	-178.9	64	75.1	0	0	110.6	W455 I554 I592 L596 F600 N601 E602 M608 I609	W455-M605 HydrophobicContact CD2-CE 4.26Å; W455-M605 HydrophobicContact CE3-CE 3.57Å; W455-M605 HydrophobicContact CH2-CB 4.22Å; W455-M605 HydrophobicContact CH2-CE 3.69Å; W455-M605 HydrophobicContact CH2-SD 3.68Å; W455-M605 HydrophobicContact CZ2-CB 4.15Å; W455-M605 HydrophobicContact CZ2-CE 4.35Å; W455-M605 HydrophobicContact CZ3-CE 3.25Å; W455-M605 HydrophobicContact CZ3-SD 3.74Å; I554-M605 HydrophobicContact CG1-SD 4.4Å; I554-M605 HydrophobicContact CG2-SD 3.98Å; I592-M605 HydrophobicContact CD1-CE 4.01Å; I592-M605 HydrophobicContact CD1-CG 3.66Å; I592-M605 HydrophobicContact CD1-SD 4.05Å; I592-M605 HydrophobicContact CG1-CE 3.97Å; I592-M605 HydrophobicContact CG1-CG 4.1Å; I592-M605 HydrophobicContact CG1-SD 3.86Å; I592-M605 HydrophobicContact CG2-CE 3.89Å; L596-M605 HydrophobicContact CD1-CE 4.19Å; F600-M605 HydrophobicContact CB-CE 4.02Å; F600-M605 HydrophobicContact CD1-CE 4.07Å; F600-M605 HydrophobicContact CD2-CB 3.94Å; F600-M605 HydrophobicContact CD2-CE 3.92Å; F600-M605 HydrophobicContact CD2-CG 4.22Å; F600-M605 HydrophobicContact CE2-CB 4.35Å; F600-M605 HydrophobicContact CE2-CE 4.42Å; F600-M605 HydrophobicContact CE2-CG 4.31Å; F600-M605 HydrophobicContact CG-CE 3.74Å; N601-M605 WeakPolarHBondContact O-CB 3.17Å; N601-M605 PolarHBondContact O-N 3.37Å; E602-M605 PolarHBondContact O-N 3.22Å; M605-M608 PolarHBondContact O-N 3.09Å; M605-I609 HydrophobicContact CG-CD1 3.95Å; M605-I609 WeakPolarHBondContact O-CB 3.36Å; M605-I609 VanDerWaalsContact O-CG1 3.31Å; M605-I609 WeakPolarHBondContact O-CG1 3.47Å; M605-I609 PolarHBondContact O-N 3.04Å; M605-I609 HydrophobicContact SD-CD1 4.29Å
606	F	93.7	Very high	94.4	Very high	60 Å²	60	46.3 Å²	46.3	26%	0.263	23%	0.234	S	C	.	.	H	α-helix	trans	-60.9	-47.1	177	-163.6	-92	0	0	0	112.3	A582 V588 E602 M608 I609 E610	A582-F606 WeakPolarHBondContact O-CE2 3.32Å; V588-F606 HydrophobicContact CG1-CD2 4.48Å; E602-F606 WeakPolarHBondContact O-CB 3.32Å; E602-F606 PolarHBondContact O-N 2.88Å; F606-M608 VanDerWaalsContact C-N 3.31Å; F606-M608 PolarHBondContact O-N 3.33Å; F606-I609 WeakPolarHBondContact O-CA 3.48Å; F606-I609 WeakPolarHBondContact O-CB 3.37Å; F606-I609 PolarHBondContact O-N 2.97Å; F606-I609 VanDerWaalsContact O-N 3.09Å; F606-E610 HydrophobicContact CD1-CG 3.98Å; F606-E610 HydrophobicContact CE1-CG 3.77Å; F606-E610 WeakPolarHBondContact O-CG 3.34Å; F606-E610 PolarHBondContact O-N 2.99Å
607	R	93.1	Very high	94.5	Very high	27 Å²	27	47.5 Å²	47.5	10%	0.102	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-36.2	175.1	-78.2	-168.6	-56.4	-72	-10	113.1	A603 E604 A611 V632 S635	A603-R607 PolarHBondContact O-N 2.88Å; A603-R607 VanDerWaalsContact O-N 3.12Å; A603-R607 PolarHBondContact O-NH1 3.32Å; A603-R607 VanDerWaalsContact O-NH1 3.09Å; E604-R607 VanDerWaalsContact CG-NH2 3.34Å; E604-R607 PolarHBondContact O-N 3.5Å; R607-A611 WeakPolarHBondContact O-CB 3.48Å; R607-A611 PolarHBondContact O-N 3.1Å; R607-V632 HydrophobicContact CB-CG1 3.81Å; R607-V632 HydrophobicContact CG-CG1 4.26Å; R607-V632 WeakPolarHBondContact O-CG1 3.49Å; R607-S635 PolarHBondContact NE-O 2.98Å
608	M	95.9	Very high	94.5	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-68.7	-36.7	174.5	-162.8	-179.4	-66.7	0	0	111.8	W455 V459 A462 L550 L553 I554 E604 M605 F606 A611 A612 L633	W455-M608 HydrophobicContact CH2-CB 4.2Å; W455-M608 HydrophobicContact CH2-CE 3.52Å; W455-M608 HydrophobicContact CH2-SD 3.77Å; W455-M608 HydrophobicContact CZ2-CE 4.02Å; W455-M608 HydrophobicContact CZ3-CE 4.15Å; W455-M608 HydrophobicContact CZ3-SD 4.19Å; V459-M608 HydrophobicContact CB-CE 4.32Å; V459-M608 HydrophobicContact CG2-CE 3.81Å; A462-M608 HydrophobicContact CB-CE 4Å; L550-M608 HydrophobicContact CD2-CG 4.1Å; L550-M608 HydrophobicContact CD2-SD 4.41Å; L553-M608 HydrophobicContact CB-SD 4.22Å; I554-M608 HydrophobicContact CD1-CB 4.45Å; I554-M608 HydrophobicContact CD1-CG 4.06Å; I554-M608 HydrophobicContact CG1-CB 4.39Å; I554-M608 HydrophobicContact CG1-CG 3.97Å; I554-M608 HydrophobicContact CG1-SD 3.84Å; E604-M608 PolarHBondContact O-N 2.9Å; M605-M608 PolarHBondContact O-N 3.09Å; F606-M608 VanDerWaalsContact C-N 3.31Å; F606-M608 PolarHBondContact O-N 3.33Å; M608-A611 PolarHBondContact O-N 3.43Å; M608-A612 WeakPolarHBondContact O-CB 3.34Å; M608-A612 PolarHBondContact O-N 3.21Å; M608-L633 HydrophobicContact CG-CD2 4.19Å
609	I	96	Very high	94.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-46.8	173.8	-76.4	168.2	0	0	0	111.2	I554 L579 A582 I583 V588 L591 M605 F606 A611 A612 A613	I554-I609 HydrophobicContact CD1-CG1 3.87Å; I554-I609 HydrophobicContact CG1-CG1 4.41Å; I554-I609 HydrophobicContact CG2-CG1 4.19Å; L579-I609 HydrophobicContact CD2-CG2 3.96Å; A582-I609 HydrophobicContact CB-CG2 4.19Å; I583-I609 HydrophobicContact CG1-CG2 4.45Å; V588-I609 HydrophobicContact CB-CD1 4.02Å; V588-I609 HydrophobicContact CG1-CD1 3.53Å; L591-I609 HydrophobicContact CD2-CD1 3.83Å; L591-I609 HydrophobicContact CD2-CG1 3.76Å; L591-I609 HydrophobicContact CD2-CG2 4.4Å; M605-I609 HydrophobicContact CG-CD1 3.95Å; M605-I609 WeakPolarHBondContact O-CB 3.36Å; M605-I609 VanDerWaalsContact O-CG1 3.31Å; M605-I609 WeakPolarHBondContact O-CG1 3.47Å; M605-I609 PolarHBondContact O-N 3.04Å; M605-I609 HydrophobicContact SD-CD1 4.29Å; F606-I609 WeakPolarHBondContact O-CA 3.48Å; F606-I609 WeakPolarHBondContact O-CB 3.37Å; F606-I609 PolarHBondContact O-N 2.97Å; F606-I609 VanDerWaalsContact O-N 3.09Å; I609-A611 PolarHBondContact O-N 2.95Å; I609-A612 PolarHBondContact O-N 3.23Å; I609-A613 VanDerWaalsContact O-CB 3.31Å; I609-A613 WeakPolarHBondContact O-CB 3.25Å; I609-A613 PolarHBondContact O-N 3.35Å
610	E	94.9	Very high	94.8	Very high	64 Å²	64	33 Å²	33	30%	0.299	17%	0.173	S	C	.	.	H	α-helix	trans	-60.9	-44.1	174.3	-69.3	-177.1	115.6	0	0	111.9	I583 F606 A613 A614	I583-E610 HydrophobicContact CG1-CG 4.45Å; F606-E610 HydrophobicContact CD1-CG 3.98Å; F606-E610 HydrophobicContact CE1-CG 3.77Å; F606-E610 WeakPolarHBondContact O-CG 3.34Å; F606-E610 PolarHBondContact O-N 2.99Å; E610-A613 PolarHBondContact O-N 3.03Å; E610-A614 VanDerWaalsContact O-CB 3.25Å; E610-A614 WeakPolarHBondContact O-CB 3.49Å; E610-A614 PolarHBondContact O-N 3.37Å
611	A	96.6	Very high	94.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-45.7	175.5	0	0	0	0	0	111.9	L550 R607 M608 I609 A614 C615 V629 V632 L641	L550-A611 HydrophobicContact CD1-CB 3.86Å; R607-A611 WeakPolarHBondContact O-CB 3.48Å; R607-A611 PolarHBondContact O-N 3.1Å; M608-A611 PolarHBondContact O-N 3.43Å; I609-A611 PolarHBondContact O-N 2.95Å; A611-A614 PolarHBondContact O-N 2.82Å; A611-C615 WeakPolarHBondContact O-CB 3.46Å; A611-C615 PolarHBondContact O-N 3.32Å; A611-C615 PolarHBondContact O-SG 3.22Å; A611-V629 HydrophobicContact CB-CG1 4.46Å; A611-V632 HydrophobicContact CB-CG1 4.28Å; A611-L641 HydrophobicContact CB-CD1 4.12Å
612	A	98	Very high	94.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-50.6	176	0	0	0	0	0	111.4	L550 L551 I554 M608 I609 A614 C615 I616	L550-A612 HydrophobicContact CB-CB 3.78Å; L550-A612 HydrophobicContact CD1-CB 4.31Å; L551-A612 HydrophobicContact CD2-CB 3.82Å; L551-A612 HydrophobicContact CG-CB 4.39Å; I554-A612 HydrophobicContact CD1-CB 3.86Å; M608-A612 WeakPolarHBondContact O-CB 3.34Å; M608-A612 PolarHBondContact O-N 3.21Å; I609-A612 PolarHBondContact O-N 3.23Å; A612-A614 VanDerWaalsContact C-N 3.33Å; A612-A614 PolarHBondContact O-N 3.39Å; A612-C615 PolarHBondContact O-N 3.36Å; A612-C615 VanDerWaalsContact O-N 3.13Å; A612-I616 WeakPolarHBondContact O-CG1 3.29Å; A612-I616 PolarHBondContact O-N 2.78Å
613	A	97.1	Very high	95.1	Very high	20 Å²	20	28.4 Å²	28.4	17%	0.165	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-40.8	179.1	0	0	0	0	0	112.6	L579 I583 I609 E610 R617	L579-A613 HydrophobicContact CB-CB 4.24Å; L579-A613 HydrophobicContact CD2-CB 4.37Å; I583-A613 HydrophobicContact CD1-CB 3.64Å; I609-A613 VanDerWaalsContact O-CB 3.31Å; I609-A613 WeakPolarHBondContact O-CB 3.25Å; I609-A613 PolarHBondContact O-N 3.35Å; E610-A613 PolarHBondContact O-N 3.03Å; A613-R617 WeakPolarHBondContact O-CG 3.47Å
614	A	96.9	Very high	95.4	Very high	3 Å²	3	26 Å²	26	3%	0.025	14%	0.138	C	C	.	.	H	α-helix	trans	-67.9	-38.1	175.6	0	0	0	0	0	112.3	E610 A611 A612 R617 P624 L641	E610-A614 VanDerWaalsContact O-CB 3.25Å; E610-A614 WeakPolarHBondContact O-CB 3.49Å; E610-A614 PolarHBondContact O-N 3.37Å; A611-A614 PolarHBondContact O-N 2.82Å; A612-A614 VanDerWaalsContact C-N 3.33Å; A612-A614 PolarHBondContact O-N 3.39Å; A614-R617 VanDerWaalsContact O-CD 3.31Å; A614-R617 WeakPolarHBondContact O-CD 3.43Å; A614-R617 VanDerWaalsContact O-CG 3.29Å; A614-R617 WeakPolarHBondContact O-CG 3.27Å; A614-P624 HydrophobicContact CB-CG 4.26Å; A614-P624 VanDerWaalsContact O-CD 3.28Å; A614-P624 WeakPolarHBondContact O-CD 3.43Å; A614-L641 HydrophobicContact CB-CB 3.96Å; A614-L641 HydrophobicContact CB-CD1 4.2Å
615	C	98.3	Very high	95.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70.7	-42.1	179.1	-71.3	0	0	0	0	113.2	V543 G547 A611 A612 R617 R623	V543-C615 HydrophobicContact CG1-CB 4.07Å; V543-C615 WeakPolarHBondContact O-CB 3.4Å; G547-C615 VanDerWaalsContact CA-CB 3.44Å; A611-C615 WeakPolarHBondContact O-CB 3.46Å; A611-C615 PolarHBondContact O-N 3.32Å; A611-C615 PolarHBondContact O-SG 3.22Å; A612-C615 PolarHBondContact O-N 3.36Å; A612-C615 VanDerWaalsContact O-N 3.13Å; C615-R617 PolarHBondContact O-N 2.72Å; C615-R623 WeakPolarHBondContact O-CD 3.39Å; C615-R623 WeakPolarHBondContact O-CG 3.33Å; C615-R623 PolarHBondContact O-NE 2.99Å
616	I	97.5	Very high	95.8	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	7.2	-177.5	73	177.8	0	0	0	114.5	F544 L551 V572 R576 L579 A612 H618	F544-I616 HydrophobicContact CD2-CB 4.38Å; F544-I616 HydrophobicContact CE2-CB 4.19Å; F544-I616 WeakPolarHBondContact CE2-O 3.42Å; L551-I616 HydrophobicContact CD1-CD1 4.03Å; L551-I616 HydrophobicContact CD1-CG2 4.32Å; V572-I616 HydrophobicContact CG1-CB 4.47Å; V572-I616 HydrophobicContact CG1-CD1 4.34Å; R576-I616 PolarHBondContact NH1-O 3.2Å; L579-I616 HydrophobicContact CD1-CD1 3.31Å; L579-I616 HydrophobicContact CD1-CG1 4.44Å; A612-I616 WeakPolarHBondContact O-CG1 3.29Å; A612-I616 PolarHBondContact O-N 2.78Å; I616-H618 PolarHBondContact O-N 3Å
617	R	95.3	Very high	96	Very high	30 Å²	30	29.4 Å²	29.4	11%	0.113	15%	0.153	C	C	.	.			trans	-51.8	130	177.6	-74.6	174.4	169.7	-166	-11.1	110.4	A613 A614 C615 S619 R622 R623 S642 I645	A613-R617 WeakPolarHBondContact O-CG 3.47Å; A614-R617 VanDerWaalsContact O-CD 3.31Å; A614-R617 WeakPolarHBondContact O-CD 3.43Å; A614-R617 VanDerWaalsContact O-CG 3.29Å; A614-R617 WeakPolarHBondContact O-CG 3.27Å; C615-R617 PolarHBondContact O-N 2.72Å; R617-S619 VanDerWaalsContact C-N 3.29Å; R617-S619 PolarHBondContact O-N 3.03Å; R617-R622 WeakPolarHBondContact CD-O 3.43Å; R617-R622 PolarHBondContact NH1-O 2.7Å; R617-R623 HydrophobicContact CB-CG 4.11Å; R617-R623 PolarHBondContact O-NE 3.23Å; R617-R623 PolarHBondContact O-NH2 3.18Å; R617-S642 PolarHBondContact NH1-O 2.82Å; R617-S642 PolarHBondContact NH2-O 3.44Å; R617-I645 PolarHBondContact NH2-O 2.92Å
618	H	91.5	Very high	96.1	Very high	46 Å²	46	29.6 Å²	29.6	21%	0.213	16%	0.155	C	C	.	.	S	Bend	trans	-58.8	-40	-176.6	-173.8	-42	0	0	0	111.8	I616 A620 R623 N657	I616-H618 PolarHBondContact O-N 3Å; H618-A620 PolarHBondContact O-N 3.46Å; H618-R623 PolarHBondContact O-NH2 2.93Å; H618-R623 VanDerWaalsContact O-NH2 3.16Å; H618-N657 PolarHBondContact CE1-ND2 2.75Å; H618-N657 PolarHBondContact NE2-ND2 3.43Å
619	S	93.5	Very high	96.2	Very high	46 Å²	46	29.5 Å²	29.5	32%	0.322	15%	0.154	S	C	.	.	S	Bend	trans	-82	116.2	176	-175.3	0	0	0	0	111.3	R617 S621 R622	R617-S619 VanDerWaalsContact C-N 3.29Å; R617-S619 PolarHBondContact O-N 3.03Å; S619-S621 VanDerWaalsContact C-N 3.25Å; S619-S621 PolarHBondContact O-N 3.06Å; S619-S621 PolarHBondContact OG-OG 3.24Å; S619-R622 PolarHBondContact O-N 2.83Å
620	A	95	Very high	96.2	Very high	18 Å²	18	30.4 Å²	30.4	15%	0.149	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-55.8	-34.6	-178.6	0	0	0	0	0	114.1	E530 R540 H618 R622 R623	E530-A620 HydrophobicContact CG-CB 3.94Å; R540-A620 HydrophobicContact CB-CB 3.94Å; R540-A620 WeakPolarHBondContact CG-O 3.4Å; R540-A620 PolarHBondContact NH1-O 3.28Å; H618-A620 PolarHBondContact O-N 3.46Å; A620-R622 VanDerWaalsContact C-N 3.3Å; A620-R622 PolarHBondContact O-N 2.93Å; A620-R623 WeakPolarHBondContact O-CB 3.5Å; A620-R623 PolarHBondContact O-N 3.32Å
621	S	94	Very high	96.2	Very high	95 Å²	95	33.5 Å²	33.5	66%	0.664	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-70.1	-24.9	177.6	56.8	0	0	0	0	113.4	R540 S619	R540-S621 PolarHBondContact NH1-O 2.75Å; S619-S621 VanDerWaalsContact C-N 3.25Å; S619-S621 PolarHBondContact O-N 3.06Å; S619-S621 PolarHBondContact OG-OG 3.24Å
622	R	94.5	Very high	96	Very high	77 Å²	77	33.7 Å²	33.7	29%	0.291	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-83.9	-10.3	178.6	-62.8	-172.8	165.2	-169.4	-5.2	114.2	R617 S619 A620 I645 K649 S650	R617-R622 WeakPolarHBondContact CD-O 3.43Å; R617-R622 PolarHBondContact NH1-O 2.7Å; S619-R622 PolarHBondContact O-N 2.83Å; A620-R622 VanDerWaalsContact C-N 3.3Å; A620-R622 PolarHBondContact O-N 2.93Å; R622-I645 HydrophobicContact CB-CD1 4.14Å; R622-I645 HydrophobicContact CG-CD1 3.7Å; R622-K649 PolarHBondContact NH1-O 2.92Å; R622-S650 PolarHBondContact NH1-OG 2.81Å
623	R	97.5	Very high	95.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-67.3	155.6	172.1	-60.9	178.3	-167	140.3	12.9	110.5	E530 R540 V543 C615 R617 H618 A620	E530-R623 VanDerWaalsContact CD-NH1 3.29Å; E530-R623 IonicContact OE1-CZ 3.95Å; E530-R623 IonicContact OE1-NH1 2.97Å; E530-R623 PolarHBondContact OE1-NH1 3.2Å; E530-R623 IonicContact OE1-NH2 2.99Å; E530-R623 IonicContact OE2-CZ 3.39Å; E530-R623 IonicContact OE2-NH1 3.17Å; E530-R623 PolarHBondContact OE2-NH1 3.41Å; E530-R623 VanDerWaalsContact OE2-NH1 3.17Å; E530-R623 IonicContact OE2-NH2 2.84Å; E530-R623 PolarHBondContact OE2-NH2 3.38Å; R540-R623 PolarHBondContact NH1-O 3.12Å; R540-R623 PolarHBondContact NH2-O 2.61Å; R540-R623 WeakPolarHBondContact O-CD 3.18Å; R540-R623 PolarHBondContact O-NH1 3.08Å; V543-R623 HydrophobicContact CG1-CB 4.01Å; C615-R623 WeakPolarHBondContact O-CD 3.39Å; C615-R623 WeakPolarHBondContact O-CG 3.33Å; C615-R623 PolarHBondContact O-NE 2.99Å; R617-R623 HydrophobicContact CB-CG 4.11Å; R617-R623 PolarHBondContact O-NE 3.23Å; R617-R623 PolarHBondContact O-NH2 3.18Å; H618-R623 PolarHBondContact O-NH2 2.93Å; H618-R623 VanDerWaalsContact O-NH2 3.16Å; A620-R623 WeakPolarHBondContact O-CB 3.5Å; A620-R623 PolarHBondContact O-N 3.32Å
624	P	97.6	Very high	95.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-70.3	171.7	170.4	30.6	-35.7	0	0	0	112	V543 A614 Q628 V629 L641	V543-P624 HydrophobicContact CG1-CG 4.2Å; A614-P624 HydrophobicContact CB-CG 4.26Å; A614-P624 VanDerWaalsContact O-CD 3.28Å; A614-P624 WeakPolarHBondContact O-CD 3.43Å; P624-Q628 HydrophobicContact CB-CB 4.07Å; P624-V629 HydrophobicContact CB-CG2 3.94Å; P624-V629 HydrophobicContact CG-CG2 3.42Å; P624-V629 VanDerWaalsContact CG-CG2 3.42Å; P624-L641 HydrophobicContact CB-CD2 4.2Å
625	R	97.5	Very high	93.7	Very high	142 Å²	142	39.4 Å²	39.4	54%	0.536	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-80.4	157.2	155.3	-60.7	-171.7	176.7	-153.6	-0.7	110.3	E474 S627 Q628 V629	E474-R625 VanDerWaalsContact OE2-CD 3.29Å; E474-R625 WeakPolarHBondContact OE2-CD 3.17Å; E474-R625 IonicContact OE2-NH1 3.69Å; E474-R625 PolarHBondContact OE2-NH1 2.89Å; R625-S627 VanDerWaalsContact C-N 3.31Å; R625-S627 PolarHBondContact O-N 3.16Å; R625-Q628 HydrophobicContact CB-CG 4.29Å; R625-Q628 WeakPolarHBondContact O-CB 3.36Å; R625-Q628 PolarHBondContact O-N 3.01Å; R625-V629 PolarHBondContact O-N 3.28Å
626	M	98.1	Very high	91.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-33.8	179.2	-75.1	-52.4	-55.7	0	0	112.7	A466 I469 A470 H473 E474 V543 F546 Q628 V629 V630	A466-M626 HydrophobicContact CB-CE 3.73Å; I469-M626 HydrophobicContact CB-CE 4.22Å; I469-M626 HydrophobicContact CB-CG 4.26Å; I469-M626 HydrophobicContact CD1-CE 4.42Å; I469-M626 HydrophobicContact CG2-CG 3.79Å; I469-M626 HydrophobicContact CG2-SD 4.44Å; A470-M626 HydrophobicContact CB-CB 3.78Å; H473-M626 WeakPolarHBondContact ND1-CG 3.45Å; E474-M626 PolarHBondContact OE1-N 2.97Å; V543-M626 HydrophobicContact CB-SD 4.34Å; V543-M626 HydrophobicContact CG1-SD 4.37Å; V543-M626 HydrophobicContact CG2-CG 3.91Å; V543-M626 HydrophobicContact CG2-SD 3.84Å; F546-M626 HydrophobicContact CD1-CE 3.55Å; F546-M626 HydrophobicContact CD1-SD 4.17Å; F546-M626 HydrophobicContact CE1-CE 3.89Å; F546-M626 HydrophobicContact CG-CE 4.01Å; M626-Q628 VanDerWaalsContact C-N 3.26Å; M626-Q628 PolarHBondContact O-N 3.32Å; M626-V629 HydrophobicContact CE-CB 4.2Å; M626-V629 HydrophobicContact CE-CG1 4.26Å; M626-V629 WeakPolarHBondContact O-CB 3.35Å; M626-V629 PolarHBondContact O-N 3.33Å; M626-V629 VanDerWaalsContact O-N 3.09Å; M626-V629 HydrophobicContact SD-CG2 4.33Å; M626-V630 WeakPolarHBondContact O-CG2 3.39Å; M626-V630 PolarHBondContact O-N 3.22Å
627	S	96.5	Very high	89	Confident	43 Å²	43	48.3 Å²	48.3	30%	0.301	25%	0.254	S	S	.	.	H	α-helix	trans	-58.4	-32.9	170	59.8	0	0	0	0	113.7	E474 R625 R631	E474-S627 VanDerWaalsContact OE1-CB 3.27Å; E474-S627 WeakPolarHBondContact OE1-CB 3.13Å; E474-S627 PolarHBondContact OE1-N 2.92Å; E474-S627 PolarHBondContact OE1-OG 3.01Å; E474-S627 WeakPolarHBondContact OE2-CB 3.23Å; E474-S627 PolarHBondContact OE2-OG 2.87Å; R625-S627 VanDerWaalsContact C-N 3.31Å; R625-S627 PolarHBondContact O-N 3.16Å; S627-R631 WeakPolarHBondContact O-CG 3.43Å; S627-R631 PolarHBondContact O-N 3.26Å
628	Q	96.4	Very high	87.1	Confident	31 Å²	31	54.3 Å²	54.3	15%	0.145	29%	0.289	C	S	.	.	H	α-helix	trans	-71.1	-40.4	173.6	-61.8	176.7	-89.5	0	0	111.3	P624 R625 M626 R631 V632 L641	P624-Q628 HydrophobicContact CB-CB 4.07Å; R625-Q628 HydrophobicContact CB-CG 4.29Å; R625-Q628 WeakPolarHBondContact O-CB 3.36Å; R625-Q628 PolarHBondContact O-N 3.01Å; M626-Q628 VanDerWaalsContact C-N 3.26Å; M626-Q628 PolarHBondContact O-N 3.32Å; Q628-R631 PolarHBondContact O-N 2.72Å; Q628-V632 PolarHBondContact O-N 3.46Å; Q628-L641 HydrophobicContact CB-CD2 3.98Å
629	V	97.2	Very high	85.7	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-44.1	177.5	-179.4	0	0	0	0	111.1	A466 F546 A611 P624 R625 M626 R631 V632 L633	A466-V629 HydrophobicContact CB-CG1 4.46Å; F546-V629 HydrophobicContact CD1-CG1 4.27Å; F546-V629 HydrophobicContact CE1-CG1 3.81Å; A611-V629 HydrophobicContact CB-CG1 4.46Å; P624-V629 HydrophobicContact CB-CG2 3.94Å; P624-V629 HydrophobicContact CG-CG2 3.42Å; P624-V629 VanDerWaalsContact CG-CG2 3.42Å; R625-V629 PolarHBondContact O-N 3.28Å; M626-V629 HydrophobicContact CE-CB 4.2Å; M626-V629 HydrophobicContact CE-CG1 4.26Å; M626-V629 WeakPolarHBondContact O-CB 3.35Å; M626-V629 PolarHBondContact O-N 3.33Å; M626-V629 VanDerWaalsContact O-N 3.09Å; M626-V629 HydrophobicContact SD-CG2 4.33Å; V629-R631 VanDerWaalsContact C-N 3.3Å; V629-R631 PolarHBondContact O-N 2.85Å; V629-V632 PolarHBondContact O-N 3.17Å; V629-V632 VanDerWaalsContact O-N 3.14Å; V629-L633 HydrophobicContact CG1-CD1 3.82Å; V629-L633 HydrophobicContact CG1-CG 4.38Å; V629-L633 WeakPolarHBondContact O-CG 3.43Å; V629-L633 PolarHBondContact O-N 2.66Å; V629-L633 VanDerWaalsContact O-N 3.1Å
630	V	96.1	Very high	84.4	Confident	20 Å²	20	56.5 Å²	56.5	12%	0.121	30%	0.3	C	S	.	.	H	α-helix	trans	-52.6	-47.4	174	169	0	0	0	0	110.9	A466 R467 A470 M626 V632 L633 D634	A466-V630 HydrophobicContact CB-CG2 3.65Å; A466-V630 WeakPolarHBondContact O-CG2 3.49Å; R467-V630 HydrophobicContact CG-CG1 3.79Å; R467-V630 HydrophobicContact CG-CG2 4Å; A470-V630 HydrophobicContact CB-CG2 4.06Å; M626-V630 WeakPolarHBondContact O-CG2 3.39Å; M626-V630 PolarHBondContact O-N 3.22Å; V630-V632 VanDerWaalsContact C-N 3.32Å; V630-V632 PolarHBondContact O-N 3.03Å; V630-L633 PolarHBondContact O-N 2.82Å; V630-D634 VanDerWaalsContact CG1-OD2 3.31Å; V630-D634 WeakPolarHBondContact CG1-OD2 3.37Å; V630-D634 WeakPolarHBondContact O-CB 3.37Å; V630-D634 PolarHBondContact O-N 3.24Å
631	R	94.3	Very high	83.3	Confident	129 Å²	129	56.2 Å²	56.2	49%	0.487	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-33.9	-179.7	-66.8	-176.6	-48.3	-162.6	10.6	113.7	S627 Q628 V629 S635 V639	S627-R631 WeakPolarHBondContact O-CG 3.43Å; S627-R631 PolarHBondContact O-N 3.26Å; Q628-R631 PolarHBondContact O-N 2.72Å; V629-R631 VanDerWaalsContact C-N 3.3Å; V629-R631 PolarHBondContact O-N 2.85Å; R631-S635 VanDerWaalsContact O-CB 3.26Å; R631-S635 WeakPolarHBondContact O-CB 3.34Å; R631-S635 PolarHBondContact O-N 3.39Å; R631-S635 PolarHBondContact O-OG 3.26Å; R631-V639 HydrophobicContact CB-CG2 4.4Å
632	V	92.9	Very high	81.9	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-75.7	-29.5	177.4	170.6	0	0	0	0	112.4	R607 A611 Q628 V629 V630 V639 L641	R607-V632 HydrophobicContact CB-CG1 3.81Å; R607-V632 HydrophobicContact CG-CG1 4.26Å; R607-V632 WeakPolarHBondContact O-CG1 3.49Å; A611-V632 HydrophobicContact CB-CG1 4.28Å; Q628-V632 PolarHBondContact O-N 3.46Å; V629-V632 PolarHBondContact O-N 3.17Å; V629-V632 VanDerWaalsContact O-N 3.14Å; V630-V632 VanDerWaalsContact C-N 3.32Å; V630-V632 PolarHBondContact O-N 3.03Å; V632-V639 HydrophobicContact CG2-CB 3.85Å; V632-V639 HydrophobicContact CG2-CG1 4.38Å; V632-L641 HydrophobicContact CB-CD1 4.16Å; V632-L641 HydrophobicContact CG1-CD1 4.11Å; V632-L641 HydrophobicContact CG2-CD1 3.76Å; V632-L641 HydrophobicContact CG2-CD2 3.86Å; V632-L641 HydrophobicContact CG2-CG 3.72Å
633	L	93.3	Very high	80.3	Confident	18 Å²	18	53.6 Å²	53.6	9%	0.094	28%	0.283	C	S	.	.	H	α-helix	trans	-82.4	-31.4	176.5	-63	172.6	0	0	0	112.9	A462 A463 A466 F546 L550 M608 V629 V630	A462-L633 HydrophobicContact CB-CD1 4Å; A462-L633 HydrophobicContact CB-CD2 4.19Å; A463-L633 HydrophobicContact CB-CB 4.01Å; A466-L633 HydrophobicContact CB-CD1 3.84Å; F546-L633 HydrophobicContact CE1-CD1 4.19Å; F546-L633 HydrophobicContact CZ-CD1 4.26Å; L550-L633 HydrophobicContact CD2-CD1 4.38Å; L550-L633 HydrophobicContact CD2-CD2 4.48Å; M608-L633 HydrophobicContact CG-CD2 4.19Å; V629-L633 HydrophobicContact CG1-CD1 3.82Å; V629-L633 HydrophobicContact CG1-CG 4.38Å; V629-L633 WeakPolarHBondContact O-CG 3.43Å; V629-L633 PolarHBondContact O-N 2.66Å; V629-L633 VanDerWaalsContact O-N 3.1Å; V630-L633 PolarHBondContact O-N 2.82Å
634	D	85.6	Confident	78.2	Confident	87 Å²	87	57 Å²	57	47%	0.465	32%	0.318	S	S	.	.	H	α-helix	trans	-90.7	-30.3	179.4	-81.1	-32.6	0	0	0	114.3	A463 R467 V630	A463-D634 WeakPolarHBondContact CB-OD1 3.36Å; R467-D634 IonicContact CZ-OD1 2.82Å; R467-D634 IonicContact CZ-OD2 3.79Å; R467-D634 IonicContact NH1-OD1 2.81Å; R467-D634 PolarHBondContact NH1-OD1 2.96Å; R467-D634 IonicContact NH1-OD2 3.93Å; R467-D634 PolarHBondContact NH1-OD2 3.44Å; V630-D634 VanDerWaalsContact CG1-OD2 3.31Å; V630-D634 WeakPolarHBondContact CG1-OD2 3.37Å; V630-D634 WeakPolarHBondContact O-CB 3.37Å; V630-D634 PolarHBondContact O-N 3.24Å
635	S	64.5	Low	76.4	Confident	38 Å²	38	58.7 Å²	58.7	27%	0.266	33%	0.327	S	S	.	.			trans	-103.2	137.8	-176.2	78.8	0	0	0	0	113.2	R607 R631 A637	R607-S635 PolarHBondContact NE-O 2.98Å; R631-S635 VanDerWaalsContact O-CB 3.26Å; R631-S635 WeakPolarHBondContact O-CB 3.34Å; R631-S635 PolarHBondContact O-N 3.39Å; R631-S635 PolarHBondContact O-OG 3.26Å; S635-A637 PolarHBondContact O-N 3.31Å; S635-A637 VanDerWaalsContact O-N 3.08Å
636	L	54.1	Low	74.3	Confident	139 Å²	139	57.5 Å²	57.5	73%	0.728	33%	0.328	S	S	*	.	S	Bend	trans	-75.9	25.5	169.5	-72.6	155.1	0	0	0	112.1
637	A	44.4	Very low	72.1	Confident	52 Å²	52	59.4 Å²	59.4	43%	0.43	34%	0.34	S	S	.	.	S	Bend	trans	-127.6	144.5	-170.5	0	0	0	0	0	111.5	S635 V639	S635-A637 PolarHBondContact O-N 3.31Å; S635-A637 VanDerWaalsContact O-N 3.08Å; A637-V639 PolarHBondContact O-N 3.48Å
638	D	54	Low	70.1	Confident	156 Å²	156	59.1 Å²	59.1	83%	0.834	34%	0.344	S	S	*	.			trans	-66.1	117.3	178.5	-67	-26.2	0	0	0	111
639	V	62.5	Low	68	Low	39 Å²	39	64.4 Å²	64.4	24%	0.236	37%	0.367	C	S	.	.			trans	-122.3	109	171.2	176.5	0	0	0	0	107.2	R631 V632 A637 L641	R631-V639 HydrophobicContact CB-CG2 4.4Å; V632-V639 HydrophobicContact CG2-CB 3.85Å; V632-V639 HydrophobicContact CG2-CG1 4.38Å; A637-V639 PolarHBondContact O-N 3.48Å; V639-L641 PolarHBondContact O-N 2.87Å
640	D	66.9	Low	66.1	Low	99 Å²	99	66.4 Å²	66.4	53%	0.529	38%	0.381	S	S	.	.			trans	-56.9	104.9	-177.2	177.9	34.4	0	0	0	112.3	S642 N643	D640-S642 VanDerWaalsContact CG-OG 3.27Å; D640-S642 WeakPolarHBondContact OD1-CA 3.4Å; D640-S642 WeakPolarHBondContact OD1-CB 3.38Å; D640-S642 PolarHBondContact OD1-N 3.22Å; D640-S642 PolarHBondContact OD1-OG 3.42Å; D640-S642 PolarHBondContact OD2-OG 2.9Å; D640-N643 PolarHBondContact OD2-N 3.45Å
641	L	72.4	Confident	64	Low	12 Å²	12	71.2 Å²	71.2	6%	0.063	40%	0.402	C	S	.	.			trans	-86.3	-9.8	169.4	-64	-178.8	0	0	0	112.7	A611 A614 P624 Q628 V632 V639 N643	A611-L641 HydrophobicContact CB-CD1 4.12Å; A614-L641 HydrophobicContact CB-CB 3.96Å; A614-L641 HydrophobicContact CB-CD1 4.2Å; P624-L641 HydrophobicContact CB-CD2 4.2Å; Q628-L641 HydrophobicContact CB-CD2 3.98Å; V632-L641 HydrophobicContact CB-CD1 4.16Å; V632-L641 HydrophobicContact CG1-CD1 4.11Å; V632-L641 HydrophobicContact CG2-CD1 3.76Å; V632-L641 HydrophobicContact CG2-CD2 3.86Å; V632-L641 HydrophobicContact CG2-CG 3.72Å; V639-L641 PolarHBondContact O-N 2.87Å; L641-N643 PolarHBondContact O-N 2.99Å
642	S	64.5	Low	61.8	Low	39 Å²	39	73.8 Å²	73.8	27%	0.273	42%	0.421	S	S	.	.	S	Bend	trans	-63.8	-33.1	-178.8	83.8	0	0	0	0	110.9	R617 D640 G644 I645	R617-S642 PolarHBondContact NH1-O 2.82Å; R617-S642 PolarHBondContact NH2-O 3.44Å; D640-S642 VanDerWaalsContact CG-OG 3.27Å; D640-S642 WeakPolarHBondContact OD1-CA 3.4Å; D640-S642 WeakPolarHBondContact OD1-CB 3.38Å; D640-S642 PolarHBondContact OD1-N 3.22Å; D640-S642 PolarHBondContact OD1-OG 3.42Å; D640-S642 PolarHBondContact OD2-OG 2.9Å; S642-G644 PolarHBondContact O-N 3.42Å; S642-G644 PolarHBondContact OG-N 3.32Å; S642-I645 WeakPolarHBondContact CB-O 3.31Å; S642-I645 VanDerWaalsContact O-CB 3.31Å; S642-I645 WeakPolarHBondContact O-CB 3.26Å; S642-I645 PolarHBondContact O-N 2.74Å; S642-I645 VanDerWaalsContact O-N 3.08Å
643	N	60	Low	59.6	Low	78 Å²	78	81.9 Å²	81.9	42%	0.417	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	36.2	-166.5	-63.1	-52.7	0	0	0	111.4	D640 L641	D640-N643 PolarHBondContact OD2-N 3.45Å; L641-N643 PolarHBondContact O-N 2.99Å
644	G	54.4	Low	57.8	Low	72 Å²	72	83.2 Å²	83.2	74%	0.742	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	16.8	-174	0	0	0	0	0	115.2	S642	S642-G644 PolarHBondContact O-N 3.42Å; S642-G644 PolarHBondContact OG-N 3.32Å
645	I	59.1	Low	56	Low	36 Å²	36	85 Å²	85	19%	0.185	48%	0.478	C	S	.	.			trans	-119	112.4	-174.8	-49.6	172.7	0	0	0	110.1	R617 R622 S642	R617-I645 PolarHBondContact NH2-O 2.92Å; R622-I645 HydrophobicContact CB-CD1 4.14Å; R622-I645 HydrophobicContact CG-CD1 3.7Å; S642-I645 WeakPolarHBondContact CB-O 3.31Å; S642-I645 VanDerWaalsContact O-CB 3.31Å; S642-I645 WeakPolarHBondContact O-CB 3.26Å; S642-I645 PolarHBondContact O-N 2.74Å; S642-I645 VanDerWaalsContact O-N 3.08Å
646	Q	53.4	Low	55.2	Low	117 Å²	117	85.9 Å²	85.9	55%	0.547	49%	0.487	S	S	.	.			trans	-61.4	153.7	174.6	-71.4	178.6	-45.5	0	0	112.7	K649	Q646-K649 HydrophobicContact CB-CD 4.32Å; Q646-K649 VanDerWaalsContact OE1-CE 3.31Å
647	P	52.3	Low	55.3	Low	39 Å²	39	81 Å²	81	25%	0.253	46%	0.462	S	S	.	.	S	Bend	trans	-49.7	163.2	160.6	-25.5	35.7	0	0	0	113.1	T580 I583 K649	T580-P647 HydrophobicContact CG2-CB 3.95Å; I583-P647 HydrophobicContact CB-CG 4.13Å; I583-P647 HydrophobicContact CD1-CG 4.28Å; I583-P647 HydrophobicContact CG2-CG 3.67Å; P647-K649 PolarHBondContact O-N 3.17Å
648	G	53.5	Low	56	Low	38 Å²	38	80 Å²	80	39%	0.392	45%	0.45	S	S	.	.	S	Bend	trans	67.2	-37.7	-178.4	0	0	0	0	0	116.4	S650	G648-S650 PolarHBondContact O-N 3.33Å
649	K	53.7	Low	56.4	Low	142 Å²	142	75.4 Å²	75.4	62%	0.617	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	30.4	-169.7	-67.1	-173	176.8	171.4	0	115.6	R622 Q646 P647	R622-K649 PolarHBondContact NH1-O 2.92Å; Q646-K649 HydrophobicContact CB-CD 4.32Å; Q646-K649 VanDerWaalsContact OE1-CE 3.31Å; P647-K649 PolarHBondContact O-N 3.17Å
650	S	55.6	Low	56.2	Low	42 Å²	42	78.6 Å²	78.6	29%	0.294	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	0.4	176.6	-58.7	0	0	0	0	114.4	R622 G648 M652	R622-S650 PolarHBondContact NH1-OG 2.81Å; G648-S650 PolarHBondContact O-N 3.33Å; S650-M652 PolarHBondContact O-N 2.93Å
651	E	53.3	Low	55.9	Low	121 Å²	121	76.8 Å²	76.8	57%	0.565	44%	0.436	S	S	*	.			trans	-85.1	6.5	-164.4	-70.1	-159.1	112	0	0	117.9	F653 N654	E651-F653 PolarHBondContact O-N 2.83Å; E651-N654 HydrophobicContact CB-CB 4.47Å; E651-N654 WeakPolarHBondContact O-CB 3.31Å; E651-N654 PolarHBondContact O-N 3.19Å; E651-N654 PolarHBondContact OE1-ND2 3.46Å
652	M	47.3	Very low	55.6	Low	182 Å²	182	83.3 Å²	83.3	90%	0.897	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	11.6	-169.6	-72	-178.2	68.7	0	0	117.2	S650	S650-M652 PolarHBondContact O-N 2.93Å
653	F	47.3	Very low	55.6	Low	174 Å²	174	86.2 Å²	86.2	76%	0.763	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.5	15.7	176.1	-90.3	-84.8	0	0	0	114.7	E651 V655	E651-F653 PolarHBondContact O-N 2.83Å; F653-V655 VanDerWaalsContact C-N 3.3Å; F653-V655 PolarHBondContact O-N 3.13Å
654	N	54.1	Low	55.6	Low	46 Å²	46	86.5 Å²	86.5	25%	0.246	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	14.1	-156.5	-139	13.2	0	0	0	118.8	E651 T658	E651-N654 HydrophobicContact CB-CB 4.47Å; E651-N654 WeakPolarHBondContact O-CB 3.31Å; E651-N654 PolarHBondContact O-N 3.19Å; E651-N654 PolarHBondContact OE1-ND2 3.46Å; N654-T658 PolarHBondContact O-OG1 2.87Å; N654-T658 VanDerWaalsContact O-OG1 3.06Å
655	V	48.9	Very low	55.9	Low	124 Å²	124	85.2 Å²	85.2	75%	0.752	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-46.7	-175.9	-178.4	0	0	0	0	113.5	F653 A659	F653-V655 VanDerWaalsContact C-N 3.3Å; F653-V655 PolarHBondContact O-N 3.13Å; V655-A659 PolarHBondContact O-N 3.26Å
656	A	47.9	Very low	55.9	Low	57 Å²	57	92.2 Å²	92.2	47%	0.471	47%	0.468	S	S	.	.	H	α-helix	trans	-68.1	-49.5	-172.9	0	0	0	0	0	112.3	T658 A659 E660	A656-T658 PolarHBondContact O-N 2.75Å; A656-A659 WeakPolarHBondContact O-CA 3.12Å; A656-A659 WeakPolarHBondContact O-CB 3.29Å; A656-A659 PolarHBondContact O-N 2.85Å; A656-E660 PolarHBondContact O-N 3.4Å
657	N	55.1	Low	56.6	Low	35 Å²	35	93 Å²	93	19%	0.187	47%	0.474	C	S	.	.	H	α-helix	trans	-60.6	-35.9	-177.1	-57.6	-11.6	0	0	0	111.7	H618 A659 E660 I661	H618-N657 PolarHBondContact CE1-ND2 2.75Å; H618-N657 PolarHBondContact NE2-ND2 3.43Å; N657-A659 VanDerWaalsContact C-N 3.32Å; N657-A659 PolarHBondContact O-N 3.08Å; N657-E660 PolarHBondContact O-N 2.89Å; N657-I661 WeakPolarHBondContact O-CB 3.28Å; N657-I661 VanDerWaalsContact O-CG1 3.25Å; N657-I661 WeakPolarHBondContact O-CG1 3.48Å; N657-I661 PolarHBondContact O-N 3.43Å
658	T	61	Low	56.8	Low	32 Å²	32	93.6 Å²	93.6	20%	0.196	48%	0.482	C	S	.	.	H	α-helix	trans	-65.4	-35.3	176.9	-45.6	0	0	0	0	111.7	N654 A656 R662	N654-T658 PolarHBondContact O-OG1 2.87Å; N654-T658 VanDerWaalsContact O-OG1 3.06Å; A656-T658 PolarHBondContact O-N 2.75Å; T658-R662 WeakPolarHBondContact O-CB 3.41Å; T658-R662 WeakPolarHBondContact O-CD 3.18Å; T658-R662 WeakPolarHBondContact O-CG 3.49Å; T658-R662 PolarHBondContact O-N 2.58Å; T658-R662 VanDerWaalsContact O-N 3.08Å
659	A	61.1	Low	56.7	Low	60 Å²	60	99 Å²	99	50%	0.496	50%	0.495	S	S	.	.	H	α-helix	trans	-71.3	-38.9	172.3	0	0	0	0	0	112.2	V655 A656 N657 R662 L663	V655-A659 PolarHBondContact O-N 3.26Å; A656-A659 WeakPolarHBondContact O-CA 3.12Å; A656-A659 WeakPolarHBondContact O-CB 3.29Å; A656-A659 PolarHBondContact O-N 2.85Å; N657-A659 VanDerWaalsContact C-N 3.32Å; N657-A659 PolarHBondContact O-N 3.08Å; A659-R662 PolarHBondContact O-N 2.98Å; A659-L663 WeakPolarHBondContact O-CB 3.19Å; A659-L663 PolarHBondContact O-N 3.17Å
660	E	58.1	Low	56	Low	106 Å²	106	94.9 Å²	94.9	50%	0.495	49%	0.493	S	S	.	.	H	α-helix	trans	-66.2	-39.8	175.1	-67.9	-174.8	173.2	0	0	112.5	A656 N657 L663 F664	A656-E660 PolarHBondContact O-N 3.4Å; N657-E660 PolarHBondContact O-N 2.89Å; E660-L663 WeakPolarHBondContact O-CB 3.46Å; E660-L663 PolarHBondContact O-N 3.42Å; E660-F664 WeakPolarHBondContact O-CB 3.43Å; E660-F664 PolarHBondContact O-N 3.07Å
661	I	62	Low	55	Low	60 Å²	60	97.9 Å²	97.9	31%	0.308	51%	0.514	S	S	.	.	H	α-helix	trans	-64.9	-43.1	174.4	-69.4	163.8	0	0	0	110.4	F524 N657 L663 F664 Q665	F524-I661 HydrophobicContact CE2-CG2 4.4Å; F524-I661 HydrophobicContact CZ-CG2 4.4Å; N657-I661 WeakPolarHBondContact O-CB 3.28Å; N657-I661 VanDerWaalsContact O-CG1 3.25Å; N657-I661 WeakPolarHBondContact O-CG1 3.48Å; N657-I661 PolarHBondContact O-N 3.43Å; I661-L663 VanDerWaalsContact C-N 3.32Å; I661-L663 PolarHBondContact O-N 3.42Å; I661-F664 PolarHBondContact O-N 2.73Å; I661-F664 VanDerWaalsContact O-N 3.16Å; I661-Q665 WeakPolarHBondContact O-CG 3.47Å; I661-Q665 PolarHBondContact O-N 3.39Å
662	R	64.5	Low	54.3	Low	150 Å²	150	100.4 Å²	100.4	57%	0.566	53%	0.526	S	S	*	.	H	α-helix	trans	-63.1	-35.6	173	-73.4	169.1	-178.2	172.8	2	112.8	T658 A659 R666	T658-R662 WeakPolarHBondContact O-CB 3.41Å; T658-R662 WeakPolarHBondContact O-CD 3.18Å; T658-R662 WeakPolarHBondContact O-CG 3.49Å; T658-R662 PolarHBondContact O-N 2.58Å; T658-R662 VanDerWaalsContact O-N 3.08Å; A659-R662 PolarHBondContact O-N 2.98Å; R662-R666 WeakPolarHBondContact O-CG 3.49Å; R662-R666 PolarHBondContact O-N 3.03Å; R662-R666 VanDerWaalsContact O-N 3.07Å
663	L	64.7	Low	53.7	Low	99 Å²	99	99 Å²	99	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-68	-40.3	172.3	-175.3	62.1	0	0	0	111.1	A659 E660 I661 R666 M667	A659-L663 WeakPolarHBondContact O-CB 3.19Å; A659-L663 PolarHBondContact O-N 3.17Å; E660-L663 WeakPolarHBondContact O-CB 3.46Å; E660-L663 PolarHBondContact O-N 3.42Å; I661-L663 VanDerWaalsContact C-N 3.32Å; I661-L663 PolarHBondContact O-N 3.42Å; L663-R666 PolarHBondContact O-N 3.24Å; L663-M667 HydrophobicContact CG-CE 4.08Å; L663-M667 HydrophobicContact CG-SD 4.44Å; L663-M667 WeakPolarHBondContact O-CB 3.31Å; L663-M667 VanDerWaalsContact O-CG 3.31Å; L663-M667 WeakPolarHBondContact O-CG 3.37Å; L663-M667 PolarHBondContact O-N 3.16Å
664	F	61.6	Low	53.1	Low	85 Å²	85	99.8 Å²	99.8	37%	0.373	53%	0.525	S	S	.	.	H	α-helix	trans	-65.1	-41.8	175.2	-168.7	-91.6	0	0	0	112.2	F524 E660 I661 R666 M667 A668	F524-F664 AromaticContact CD2-CD1 3.81Å; F524-F664 HydrophobicContact CD2-CD1 3.81Å; F524-F664 AromaticContact CD2-CE1 3.92Å; F524-F664 HydrophobicContact CD2-CE1 3.92Å; F524-F664 HydrophobicContact CE2-CD1 4.06Å; E660-F664 WeakPolarHBondContact O-CB 3.43Å; E660-F664 PolarHBondContact O-N 3.07Å; I661-F664 PolarHBondContact O-N 2.73Å; I661-F664 VanDerWaalsContact O-N 3.16Å; F664-R666 PolarHBondContact O-N 3.23Å; F664-M667 HydrophobicContact CD2-CE 4.39Å; F664-M667 PolarHBondContact O-N 2.9Å; F664-A668 HydrophobicContact CE1-CB 4.45Å; F664-A668 VanDerWaalsContact O-CB 3.26Å; F664-A668 WeakPolarHBondContact O-CB 3.03Å; F664-A668 PolarHBondContact O-N 3.45Å
665	Q	58.9	Low	52.2	Low	44 Å²	44	103.7 Å²	103.7	21%	0.206	55%	0.551	C	S	.	*	H	α-helix	trans	-54.6	-51.3	170.5	-75.5	171.6	-51	0	0	111	F524 I661 M667 A668 F669	F524-Q665 HydrophobicContact CE1-CG 3.67Å; F524-Q665 HydrophobicContact CE2-CG 3.99Å; F524-Q665 HydrophobicContact CZ-CG 3.24Å; I661-Q665 WeakPolarHBondContact O-CG 3.47Å; I661-Q665 PolarHBondContact O-N 3.39Å; Q665-M667 VanDerWaalsContact C-N 3.34Å; Q665-M667 PolarHBondContact O-N 3.25Å; Q665-A668 PolarHBondContact O-N 2.72Å; Q665-F669 PolarHBondContact O-N 3.13Å
666	R	59.6	Low	51.5	Low	183 Å²	183	103.6 Å²	103.6	69%	0.691	55%	0.551	S	S	*	*	H	α-helix	trans	-61.9	-36.5	176.5	-76.2	179.5	169.9	177.7	-3.6	113	R662 L663 F664 G670	R662-R666 WeakPolarHBondContact O-CG 3.49Å; R662-R666 PolarHBondContact O-N 3.03Å; R662-R666 VanDerWaalsContact O-N 3.07Å; L663-R666 PolarHBondContact O-N 3.24Å; F664-R666 PolarHBondContact O-N 3.23Å; R666-G670 WeakPolarHBondContact O-CA 3.48Å; R666-G670 PolarHBondContact O-N 3.48Å
667	M	68.1	Low	50.8	Low	135 Å²	135	108 Å²	108	67%	0.665	57%	0.567	S	S	*	*	H	α-helix	trans	-75	-27.4	176.4	-72	-172.4	-59.3	0	0	113.9	L663 F664 Q665	L663-M667 HydrophobicContact CG-CE 4.08Å; L663-M667 HydrophobicContact CG-SD 4.44Å; L663-M667 WeakPolarHBondContact O-CB 3.31Å; L663-M667 VanDerWaalsContact O-CG 3.31Å; L663-M667 WeakPolarHBondContact O-CG 3.37Å; L663-M667 PolarHBondContact O-N 3.16Å; F664-M667 HydrophobicContact CD2-CE 4.39Å; F664-M667 PolarHBondContact O-N 2.9Å; Q665-M667 VanDerWaalsContact C-N 3.34Å; Q665-M667 PolarHBondContact O-N 3.25Å
668	A	56.6	Low	49.7	Very low	51 Å²	51	115.8 Å²	115.8	42%	0.421	60%	0.599	S	S	.	*	H	α-helix	trans	-86.1	-35.7	-179.1	0	0	0	0	0	113	F664 Q665	F664-A668 HydrophobicContact CE1-CB 4.45Å; F664-A668 VanDerWaalsContact O-CB 3.26Å; F664-A668 WeakPolarHBondContact O-CB 3.03Å; F664-A668 PolarHBondContact O-N 3.45Å; Q665-A668 PolarHBondContact O-N 2.72Å
669	F	50.8	Low	48.6	Very low	150 Å²	150	120.6 Å²	120.6	66%	0.658	63%	0.628	S	S	*	*	H	α-helix	trans	-130.4	-11.5	-172	-60.1	-75.5	0	0	0	115.1	F524 Q665 S671	F524-F669 HydrophobicContact CB-CE2 4.45Å; F524-F669 HydrophobicContact CD1-CE2 4.17Å; F524-F669 HydrophobicContact CG-CE2 4.43Å; Q665-F669 PolarHBondContact O-N 3.13Å; F669-S671 VanDerWaalsContact C-N 3.34Å; F669-S671 PolarHBondContact O-N 3.49Å
670	G	38.7	Very low	47.3	Very low	57 Å²	57	126.4 Å²	126.4	59%	0.588	65%	0.646	S	S	*	*			trans	-74.5	76.1	-179.2	0	0	0	0	0	113.6	R666	R666-G670 WeakPolarHBondContact O-CA 3.48Å; R666-G670 PolarHBondContact O-N 3.48Å
671	S	35.8	Very low	46.2	Very low	104 Å²	104	126.6 Å²	126.6	73%	0.727	66%	0.659	S	S	*	*			trans	-137.8	40.9	173.3	64	0	0	0	0	114.4	F669	F669-S671 VanDerWaalsContact C-N 3.34Å; F669-S671 PolarHBondContact O-N 3.49Å
672	Q	37.3	Very low	44.9	Very low	174 Å²	174	129.2 Å²	129.2	81%	0.813	68%	0.682	S	S	*	*	S	Bend	trans	-144.1	155.2	151	-105.4	140	64.8	0	0	108.2
673	D	36.1	Very low	43.2	Very low	153 Å²	153	133.5 Å²	133.5	82%	0.818	70%	0.699	S	S	*	*			trans	54.3	77.2	172.1	-52.1	-23.4	0	0	0	117.5
674	F	34.4	Very low	41.9	Very low	190 Å²	190	136.3 Å²	136.3	83%	0.833	71%	0.714	S	S	*	*			trans	-136.7	85.5	151.4	-144.7	-85.1	0	0	0	110.9
675	T	34.7	Very low	40.5	Very low	129 Å²	129	136.8 Å²	136.8	79%	0.791	73%	0.728	S	S	*	*			trans	-66.1	144.7	169.4	-66.4	0	0	0	0	110
676	T	33.7	Very low	39.3	Very low	121 Å²	121	146.2 Å²	146.2	74%	0.742	76%	0.762	S	S	*	*			trans	-71.6	132.5	-176.6	48.7	0	0	0	0	113
677	D	34.8	Very low	38.1	Very low	151 Å²	151	142.4 Å²	142.4	81%	0.807	76%	0.763	S	S	*	*			trans	-148.4	105.1	142.2	-103.2	-35.7	0	0	0	110.4
678	F	32.4	Very low	36.6	Very low	197 Å²	197	146.3 Å²	146.3	86%	0.864	77%	0.77	S	S	*	*			trans	-158	76.8	166.5	-157.4	-85.8	0	0	0	109.7
679	T	37.5	Very low	35.8	Very low	133 Å²	133	150.2 Å²	150.2	82%	0.816	78%	0.784	S	S	*	*			trans	-73.5	131	177.6	31.5	0	0	0	0	111.5
680	Q	32.2	Very low	35.4	Very low	183 Å²	183	148.9 Å²	148.9	86%	0.855	79%	0.788	S	S	*	*			trans	-85.5	131	175.6	-63.9	175.3	-38.2	0	0	111.4
681	S	35.8	Very low	35.4	Very low	110 Å²	110	153.5 Å²	153.5	77%	0.769	80%	0.799	S	S	*	*			trans	-159.7	100	142	55	0	0	0	0	107.4
682	S	34.3	Very low	35.6	Very low	115 Å²	115	152.7 Å²	152.7	80%	0.804	80%	0.799	S	S	*	*				76.2	115.2	80.5	-171	0	0	0	0	111.3
683	W	29.6	Very low	35.7	Very low	240 Å²	240	150.3 Å²	150.3	91%	0.909	80%	0.801	S	S	*	*			trans	-101.4	123.5	-179.3	43.3	-80.4	0	0	0	107.9
684	D	36.5	Very low	35.8	Very low	157 Å²	157	146.4 Å²	146.4	84%	0.84	80%	0.797	S	S	*	*			trans	-147.9	159.2	161.7	-151.8	-12.5	0	0	0	110.1
685	S	31.9	Very low	36.2	Very low	95 Å²	95	143.6 Å²	143.6	66%	0.664	80%	0.801	S	S	*	*			trans	-123.4	131.9	-163.3	-59.4	0	0	0	0	112.3
686	R	34.9	Very low	36.1	Very low	243 Å²	243	148.8 Å²	148.8	92%	0.917	81%	0.806	S	S	*	*			trans	-177.8	112.8	136.4	-101.1	148.4	-179.5	-170.7	-1.3	114.5
687	S	34	Very low	36.4	Very low	102 Å²	102	147.9 Å²	147.9	71%	0.713	80%	0.802	S	S	*	*				53.2	138.7	114.2	-168	0	0	0	0	120.9
688	R	36.9	Very low	36.8	Very low	218 Å²	218	152.4 Å²	152.4	82%	0.823	83%	0.825	S	S	*	*			trans	90.2	141	166.1	-49.7	-168.6	171.1	149.8	-3.3	117.1
689	D	38.8	Very low	37.1	Very low	133 Å²	133	150.2 Å²	150.2	71%	0.711	82%	0.823	S	S	*	*			cis	-170.6	179	-28.1	-96.7	-34.4	0	0	0	107.6
690	V	42.3	Very low	37	Very low	121 Å²	121	151.1 Å²	151.1	73%	0.733	82%	0.823	S	S	*	*			trans	85.2	86.3	158.4	-163.5	0	0	0	0	119.6
691	D	39.1	Very low	37.3	Very low	155 Å²	155	149.3 Å²	149.3	83%	0.829	82%	0.822	S	S	*	*				79.1	153	121.5	-61	-11.2	0	0	0	127.5
692	A	39.9	Very low	37.4	Very low	87 Å²	87	151.6 Å²	151.6	72%	0.719	83%	0.825	S	S	*	*			trans	72.2	92.5	155.1	0	0	0	0	0	119.2
693	S	40.2	Very low	37.6	Very low	124 Å²	124	153.9 Å²	153.9	87%	0.867	83%	0.826	S	S	*	*				87.5	137.9	80.9	70.4	0	0	0	0	114.1
694	G	38.4	Very low	38.1	Very low	71 Å²	71	148.1 Å²	148.1	73%	0.732	82%	0.82	S	S	*	*			cis	-149.3	-156.6	-5.1	0	0	0	0	0	108.9
695	S	42.2	Very low	38.2	Very low	130 Å²	130	147.5 Å²	147.5	91%	0.909	82%	0.819	S	S	*	*			cis	-153.4	165.2	1.5	-74.3	0	0	0	0	110.3
696	R	32.7	Very low	38.7	Very low	238 Å²	238	151.5 Å²	151.5	90%	0.898	83%	0.831	S	S	*	*			trans	-112.4	-178.1	-179.9	-110.2	-170.8	167.1	-161.4	-2.4	110.1
697	P	39.9	Very low	39.1	Very low	103 Å²	103	143.9 Å²	143.9	67%	0.669	82%	0.824	S	S	*	*			cis	-133.6	175.7	-34.7	38	-22.8	0	0	0	113.1
698	L	44.4	Very low	39.5	Very low	245 Å²	245	147.7 Å²	147.7	100%	1.283	83%	0.834	S	S	*	*				-139	0	126.8	-108.8	173.1	0	0	0	108.5

Retrieved 698 of 698 residues in 1749.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).