A0A087Y972_POEFO Loading...

Establishment of sister chromatid cohesion N-acetyltransferase 2

AlphaFold DB , UniProt , Accession A0A087Y972, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 649 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	40.3	Very low	227 Å²	227	163.6 Å²	163.6	100%	1.118	82%	0.817	S	S	*	*				0	110.9	0	-65.1	163.1	-175.2	0	0	105.9
2	I	36.5	Very low	39.7	Very low	157 Å²	157	157.8 Å²	157.8	81%	0.805	80%	0.804	S	S	*	*				74.2	118.4	77.3	-67.3	165.4	0	0	0	109
3	T	43.5	Very low	39.4	Very low	137 Å²	137	157.9 Å²	157.9	84%	0.84	80%	0.802	S	S	*	*			cis	-142.6	176.7	15.2	-17.7	0	0	0	0	113.3
4	S	52.5	Low	38.8	Very low	98 Å²	98	155.7 Å²	155.7	69%	0.685	79%	0.794	S	S	*	*			trans	-128.9	167.2	178.7	67.2	0	0	0	0	112.6
5	T	47.3	Very low	38.5	Very low	149 Å²	149	151.1 Å²	151.1	91%	0.914	78%	0.781	S	S	*	*			trans	-143	165.9	147.4	44.1	0	0	0	0	111.3
6	R	48.7	Very low	38.2	Very low	209 Å²	209	152.3 Å²	152.3	79%	0.789	78%	0.782	S	S	*	*			trans	-123.6	153.3	-162.9	-73.7	168.1	153.8	173	-5.2	114.1
7	K	40.2	Very low	37.9	Very low	196 Å²	196	150.2 Å²	150.2	85%	0.852	78%	0.784	S	S	*	*				-176.1	123.8	118.6	-93.6	153.1	-176	179.7	0	108.6
8	R	39.9	Very low	37.7	Very low	208 Å²	208	152.1 Å²	152.1	79%	0.785	79%	0.788	S	S	*	*				58	128.2	79.6	-79.6	-174.2	171.5	174.7	-2.5	112.6
9	K	32.9	Very low	38.5	Very low	174 Å²	174	149.8 Å²	149.8	76%	0.757	78%	0.783	S	S	*	*			cis	-145.5	146.3	2.9	-98.9	-171.4	172.8	-172.1	0	107.4
10	L	37.7	Very low	38.2	Very low	153 Å²	153	148.1 Å²	148.1	80%	0.801	78%	0.78	S	S	*	*				55.6	137.7	76.2	-62.6	177.8	0	0	0	114.9
11	S	33.1	Very low	38.1	Very low	92 Å²	92	149.9 Å²	149.9	64%	0.643	78%	0.781	S	S	*	*			cis	177.4	158.1	-8	49.2	0	0	0	0	113
12	S	32.8	Very low	38.1	Very low	94 Å²	94	149 Å²	149	66%	0.657	77%	0.771	S	S	*	*			trans	64.3	124.3	137.6	-89	0	0	0	0	121.7
13	M	36.1	Very low	37.7	Very low	159 Å²	159	144.6 Å²	144.6	78%	0.783	76%	0.764	S	S	*	*				82	148.2	86.5	-73.7	-179.8	102.5	0	0	114.2
14	D	30.1	Very low	37.1	Very low	127 Å²	127	144.5 Å²	144.5	68%	0.679	76%	0.763	S	S	*	*			cis	-162.4	-178.1	-19.5	-130.5	-40.1	0	0	0	111.9
15	S	35.5	Very low	36.1	Very low	86 Å²	86	149 Å²	149	60%	0.601	77%	0.771	S	S	*	*			trans	66.7	119.9	150	-81.8	0	0	0	0	123.9
16	E	32.3	Very low	35.4	Very low	171 Å²	171	148.3 Å²	148.3	80%	0.799	76%	0.761	S	S	*	*				81.4	147.8	124.2	-71.5	-179.6	88.4	0	0	126.2
17	S	33.2	Very low	34.6	Very low	117 Å²	117	146.6 Å²	146.6	82%	0.818	76%	0.76	S	S	*	*			trans	88.8	138.9	156.7	75.7	0	0	0	0	121.2
18	H	34.8	Very low	34.2	Very low	184 Å²	184	145.1 Å²	145.1	85%	0.852	76%	0.758	S	S	*	*			trans	-101	-169.7	168.7	-51.3	-79.9	0	0	0	109
19	P	52.8	Low	33.8	Very low	108 Å²	108	139.8 Å²	139.8	70%	0.701	75%	0.752	S	S	*	*			cis	-142.5	-171.7	-2.2	27.2	0.1	0	0	0	116.6
20	T	33.2	Very low	34.5	Very low	116 Å²	116	137.4 Å²	137.4	71%	0.712	75%	0.754	S	S	*	*			trans	98.4	128.1	148.6	76.3	0	0	0	0	124.1
21	K	34.9	Very low	34.3	Very low	185 Å²	185	135.2 Å²	135.2	80%	0.804	75%	0.747	S	S	*	*			trans	60	127	130.5	-69.5	173.1	179.6	168	0	124.6
22	K	32.2	Very low	34.1	Very low	210 Å²	210	139.1 Å²	139.1	91%	0.913	75%	0.753	S	S	*	*			trans	79.1	137.6	136.9	-81.5	-172.9	171	-174.4	0	122
23	G	29	Very low	33.9	Very low	64 Å²	64	144 Å²	144	66%	0.66	76%	0.757	S	S	*	*			trans	115.4	80.6	147.3	0	0	0	0	0	116.2
24	T	30.7	Very low	33.5	Very low	134 Å²	134	145.9 Å²	145.9	82%	0.822	76%	0.755	S	S	*	*				61.4	133.1	79.8	67.5	0	0	0	0	117.8
25	K	31.2	Very low	33.4	Very low	193 Å²	193	144 Å²	144	84%	0.839	75%	0.752	S	S	*	*			trans	97.4	143.5	169.8	-68.7	-176.8	175.5	178.3	0	116.9
26	D	31.9	Very low	33.1	Very low	135 Å²	135	147.6 Å²	147.6	72%	0.722	76%	0.763	S	S	*	*			cis	-168.6	169.9	-27.6	-146.2	-30.6	0	0	0	110.6
27	K	32.4	Very low	32.9	Very low	173 Å²	173	150.6 Å²	150.6	75%	0.752	77%	0.768	S	S	*	*			trans	69.7	153.2	168.8	-59.8	174.5	-179.5	-177.2	0	116.1
28	M	32.1	Very low	32.6	Very low	165 Å²	165	153 Å²	153	81%	0.813	77%	0.766	S	S	*	*			cis	-143.5	151.6	2	-155.1	98.1	74.9	0	0	111.4
29	S	31.3	Very low	32.1	Very low	95 Å²	95	156.1 Å²	156.1	66%	0.664	77%	0.77	S	S	*	*			trans	-94.8	166.8	168.1	-42.9	0	0	0	0	112
30	P	48.3	Very low	30.8	Very low	124 Å²	124	158.7 Å²	158.7	81%	0.805	77%	0.773	S	S	*	*				-130.3	152.4	83.7	8.7	14.8	0	0	0	113.5
31	V	33	Very low	30.6	Very low	108 Å²	108	159.9 Å²	159.9	66%	0.655	77%	0.774	S	S	*	*			cis	76.5	124.6	42.7	178.7	0	0	0	0	111.5
32	K	28.1	Very low	30.3	Very low	174 Å²	174	155.8 Å²	155.8	76%	0.757	77%	0.768	S	S	*	*			cis	-147	146.9	43.9	-112	131.3	-173.5	178.2	0	110.5
33	R	29	Very low	30.8	Very low	195 Å²	195	151 Å²	151	74%	0.736	76%	0.759	S	S	*	*				60.8	149.3	87.5	-68.9	-174.3	175.1	179.1	-0.3	115.4
34	R	27.1	Very low	30.6	Very low	199 Å²	199	154.8 Å²	154.8	75%	0.751	77%	0.77	S	S	*	*			cis	-165.4	135.9	7.9	-120.4	179.6	177.9	172.6	-5.5	107.9
35	S	28.5	Very low	30.4	Very low	87 Å²	87	151.6 Å²	151.6	61%	0.608	76%	0.763	S	S	*	*				83	132.5	83	78.4	0	0	0	0	119.3
36	L	29.4	Very low	30.2	Very low	162 Å²	162	148 Å²	148	85%	0.848	76%	0.762	S	S	*	*			trans	66.3	156.1	167.2	-88.9	69.3	0	0	0	116.6
37	R	27	Very low	30	Very low	235 Å²	235	150.4 Å²	150.4	89%	0.887	77%	0.769	S	S	*	*			cis	-151.3	172.4	27.1	-159.5	172	-176.2	168.1	2.5	113.6
38	E	28	Very low	29.8	Very low	166 Å²	166	151.3 Å²	151.3	78%	0.776	78%	0.775	S	S	*	*			trans	-83.7	155.3	-179.3	164.1	-168.3	-131.8	0	0	115.8
39	R	23.1	Very low	29.5	Very low	250 Å²	250	155.6 Å²	155.6	94%	0.943	78%	0.783	S	S	*	*			trans	-164.2	173.8	148	-115	178.5	-175.5	-152	-1.6	113.8
40	Q	26.2	Very low	29.3	Very low	162 Å²	162	154.7 Å²	154.7	76%	0.757	79%	0.788	S	S	*	*			trans	-135.6	177.6	-156.6	-98.8	-83.9	20.3	0	0	114.1
41	L	29.9	Very low	28.3	Very low	142 Å²	142	156.5 Å²	156.5	74%	0.743	79%	0.786	S	S	*	*			trans	90.5	104.8	162.4	-58.5	176.4	0	0	0	121.2
42	S	27.7	Very low	28.1	Very low	98 Å²	98	159.1 Å²	159.1	69%	0.685	79%	0.791	S	S	*	*				40.9	163.6	108.8	72.1	0	0	0	0	121.9
43	P	42.8	Very low	28.1	Very low	110 Å²	110	155.4 Å²	155.4	71%	0.714	79%	0.787	S	S	*	*			cis	-149.2	-172.3	23.8	42.5	-20.3	0	0	0	119.8
44	T	25.7	Very low	28.1	Very low	144 Å²	144	152.9 Å²	152.9	88%	0.883	79%	0.787	S	S	*	*			trans	114	131.1	159.1	63.7	0	0	0	0	116.6
45	G	26.1	Very low	28.3	Very low	66 Å²	66	154.2 Å²	154.2	68%	0.68	79%	0.792	S	S	*	*			cis	168.2	138.3	-17	0	0	0	0	0	116.1
46	S	27.5	Very low	28.4	Very low	118 Å²	118	161.3 Å²	161.3	83%	0.825	81%	0.806	S	S	*	*			trans	70.8	153.7	162.8	89.4	0	0	0	0	117.5
47	Q	27.2	Very low	28.8	Very low	185 Å²	185	160 Å²	160	86%	0.864	81%	0.807	S	S	*	*			cis	-137.8	171.2	-2.8	-74.3	-169.1	-3.4	0	0	111.5
48	H	28	Very low	29	Very low	192 Å²	192	154 Å²	154	89%	0.889	81%	0.807	S	S	*	*			trans	-140.7	126.9	175.8	-123.9	-73.3	0	0	0	111.5
49	R	26.5	Very low	28.9	Very low	256 Å²	256	149.9 Å²	149.9	97%	0.966	81%	0.81	S	S	*	*			trans	175.2	154.2	155.8	-103.2	173.4	-179.6	-137.8	-2.6	108.9
50	G	25.5	Very low	29.3	Very low	75 Å²	75	143.4 Å²	143.4	77%	0.773	80%	0.803	S	S	*	*			cis	-153.6	-165.8	2.4	0	0	0	0	0	113
51	Q	28.9	Very low	30.4	Very low	162 Å²	162	140.9 Å²	140.9	76%	0.757	80%	0.8	S	S	*	*			trans	-95.4	163.4	-165.5	-90.1	163.8	-92.7	0	0	116
52	E	27.5	Very low	30.4	Very low	163 Å²	163	139.5 Å²	139.5	76%	0.762	80%	0.802	S	S	*	*			trans	67	157.1	140.9	-76.7	162.6	-161.4	0	0	120.5
53	S	27.7	Very low	30.4	Very low	97 Å²	97	146.9 Å²	146.9	68%	0.678	81%	0.814	S	S	*	*			cis	-167.9	175.6	-24.8	-162.2	0	0	0	0	111.6
54	L	30.8	Very low	30	Very low	141 Å²	141	147 Å²	147	74%	0.738	82%	0.817	S	S	*	*			trans	78.8	139.6	148.8	-84.2	163.7	0	0	0	124.1
55	R	29.5	Very low	30.8	Very low	227 Å²	227	145.8 Å²	145.8	86%	0.857	81%	0.812	S	S	*	*			trans	85.7	127.7	151	-72	172.1	-168.4	-100.4	1	122.4
56	R	30.9	Very low	31.1	Very low	237 Å²	237	154.1 Å²	154.1	89%	0.894	82%	0.823	S	S	*	*			trans	-81.5	167.4	151.7	-63.8	176.2	169	173.7	-4.6	109.8
57	P	38	Very low	31.4	Very low	135 Å²	135	156.2 Å²	156.2	88%	0.877	83%	0.825	S	S	*	*				-135.8	-168	93.1	37.5	-24.7	0	0	0	113.5
58	A	31.2	Very low	31.7	Very low	107 Å²	107	152.7 Å²	152.7	88%	0.884	82%	0.821	S	S	*	*			trans	-114.6	167	-170.9	0	0	0	0	0	113.7
59	G	27.1	Very low	32.7	Very low	81 Å²	81	150 Å²	150	84%	0.835	82%	0.82	S	S	*	*			trans	-173.9	145	172.9	0	0	0	0	0	113.6
60	S	29.9	Very low	33.1	Very low	114 Å²	114	142.5 Å²	142.5	80%	0.797	81%	0.813	S	S	*	*			trans	-153	177.4	179.1	70.8	0	0	0	0	108.6
61	P	50.2	Low	33.7	Very low	108 Å²	108	148.4 Å²	148.4	70%	0.701	82%	0.817	S	S	*	*			cis	-128.4	-160.9	-23.8	31.6	-10.3	0	0	0	111.8
62	C	28.9	Very low	34.2	Very low	114 Å²	114	146.7 Å²	146.7	77%	0.77	82%	0.821	S	S	*	*			trans	69.3	120.3	154.9	-65	0	0	0	0	121.2
63	R	27.8	Very low	34.4	Very low	253 Å²	253	144 Å²	144	96%	0.955	82%	0.819	S	S	*	*				-174.8	146.5	115.4	-102.9	172	-173.1	-134	0.9	113.4
64	S	35.5	Very low	35.1	Very low	111 Å²	111	145.7 Å²	145.7	78%	0.776	83%	0.825	S	S	*	*			trans	-106.3	149	165.3	55.7	0	0	0	0	110.8
65	P	42.6	Very low	35.1	Very low	119 Å²	119	144.7 Å²	144.7	77%	0.773	83%	0.825	S	S	*	*				-133.2	141.6	126.9	11.9	9.7	0	0	0	111
66	R	31	Very low	35.7	Very low	241 Å²	241	140.5 Å²	140.5	91%	0.909	83%	0.825	S	S	*	*				99.4	123.3	51.4	-163.7	-177	-156.1	-145.4	6.8	110.7
67	N	34.8	Very low	36.3	Very low	162 Å²	162	134.3 Å²	134.3	87%	0.866	82%	0.818	S	S	*	*			trans	-77.1	151.9	-170.9	-60.4	-24.4	0	0	0	114.2
68	S	33.4	Very low	36.5	Very low	111 Å²	111	132.2 Å²	132.2	78%	0.776	81%	0.807	S	S	*	*			trans	-149.6	154.4	151.3	65.1	0	0	0	0	110.2
69	P	48.3	Very low	37.3	Very low	135 Å²	135	135.9 Å²	135.9	88%	0.877	80%	0.803	S	S	*	*			trans	-93.2	137.6	-165.9	34.4	-34	0	0	0	114.1
70	A	36.2	Very low	38.3	Very low	99 Å²	99	141.3 Å²	141.3	82%	0.818	80%	0.799	S	S	*	*			trans	-117.8	147.8	169.9	0	0	0	0	0	111.2
71	K	38	Very low	38.7	Very low	199 Å²	199	138.8 Å²	138.8	87%	0.865	79%	0.792	S	S	*	*			trans	-68.1	144.8	-173.6	-58.7	170.4	-175.2	175.1	0	111.2	S73	K71-S73 PolarHBondContact O-N 2.71Å; K71-S73 VanDerWaalsContact O-N 3.08Å
72	P	38	Very low	38.7	Very low	127 Å²	127	144 Å²	144	83%	0.825	80%	0.803	S	S	*	*			trans	-66.6	110.5	174.3	27.7	-33.5	0	0	0	110.3
73	S	33.3	Very low	39.8	Very low	105 Å²	105	147.5 Å²	147.5	73%	0.734	81%	0.808	S	S	*	*			trans	-68.9	127.8	166.9	-173.8	0	0	0	0	109.1	K71 V75	K71-S73 PolarHBondContact O-N 2.71Å; K71-S73 VanDerWaalsContact O-N 3.08Å; S73-V75 PolarHBondContact O-N 3.39Å
74	V	41.6	Very low	40.8	Very low	133 Å²	133	145.1 Å²	145.1	81%	0.806	81%	0.805	S	S	*	*			trans	-74.9	92.9	176.9	-178.8	0	0	0	0	108.4	T76	V74-T76 PolarHBondContact O-N 3.26Å; V74-T76 VanDerWaalsContact O-N 3.17Å
75	V	31.9	Very low	41.5	Very low	121 Å²	121	145.5 Å²	145.5	73%	0.733	81%	0.807	S	S	*	*			trans	-71.6	107.6	175.4	178.9	0	0	0	0	109.1	S73 S77	S73-V75 PolarHBondContact O-N 3.39Å; V75-S77 PolarHBondContact O-N 2.86Å
76	T	40.7	Very low	42.5	Very low	138 Å²	138	145.6 Å²	145.6	85%	0.847	81%	0.806	S	S	*	*			trans	-66.5	92.6	170	-9.2	0	0	0	0	109.3	V74 S78	V74-T76 PolarHBondContact O-N 3.26Å; V74-T76 VanDerWaalsContact O-N 3.17Å; T76-S78 PolarHBondContact O-N 3.46Å
77	S	43.5	Very low	44	Very low	107 Å²	107	140.9 Å²	140.9	75%	0.748	79%	0.789	S	S	*	*			trans	-65.6	117.8	178.4	49.4	0	0	0	0	110.4	V75 F79	V75-S77 PolarHBondContact O-N 2.86Å; S77-F79 PolarHBondContact O-N 3.23Å
78	S	43.7	Very low	45.7	Very low	92 Å²	92	136.8 Å²	136.8	64%	0.643	77%	0.766	S	S	*	*			trans	-60.3	129.2	174.8	176.4	0	0	0	0	110.5	T76 Y80 G81	T76-S78 PolarHBondContact O-N 3.46Å; S78-Y80 PolarHBondContact O-N 3.2Å; S78-Y80 PolarHBondContact OG-N 2.97Å; S78-G81 PolarHBondContact O-N 3.2Å
79	F	47.4	Very low	47.9	Very low	183 Å²	183	134.2 Å²	134.2	80%	0.803	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-9.9	179.3	-166	-98	0	0	0	113.8	S77	S77-F79 PolarHBondContact O-N 3.23Å
80	Y	48.1	Very low	49	Very low	195 Å²	195	131.9 Å²	131.9	77%	0.765	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	44.4	179.5	-65.9	-73.9	0	0	0	113.2	S78 K82	S78-Y80 PolarHBondContact O-N 3.2Å; S78-Y80 PolarHBondContact OG-N 2.97Å; Y80-K82 PolarHBondContact O-N 3.33Å
81	G	38	Very low	50.4	Low	62 Å²	62	133.8 Å²	133.8	64%	0.639	73%	0.727	S	S	*	*			trans	-71.5	117.1	171.2	0	0	0	0	0	113	S78 Q83	S78-G81 PolarHBondContact O-N 3.2Å; G81-Q83 VanDerWaalsContact C-N 3.35Å; G81-Q83 PolarHBondContact O-N 3.22Å
82	K	50.9	Low	52.3	Low	217 Å²	217	128.5 Å²	128.5	94%	0.943	71%	0.705	S	S	*	*			trans	-77.3	73.6	178.8	-68.6	-178.6	-179.8	174.8	0	113	Y80	Y80-K82 PolarHBondContact O-N 3.33Å
83	Q	50.2	Low	54.3	Low	187 Å²	187	128 Å²	128	87%	0.874	69%	0.687	S	S	*	*			trans	-90.7	144.2	158	-73.4	-171.5	-13.6	0	0	110.3	G81 S85	G81-Q83 VanDerWaalsContact C-N 3.35Å; G81-Q83 PolarHBondContact O-N 3.22Å; Q83-S85 PolarHBondContact O-N 2.84Å
84	K	49.4	Very low	56.6	Low	204 Å²	204	128.6 Å²	128.6	89%	0.887	68%	0.676	S	S	*	*			trans	-80.6	105	172.8	-66.4	176.9	-177.4	174	0	108	V86	K84-V86 PolarHBondContact O-N 3.13Å
85	S	50.9	Low	58.1	Low	118 Å²	118	125 Å²	125	83%	0.825	66%	0.66	S	S	*	*			trans	-62.6	115	168.3	36.7	0	0	0	0	109.4	Q83	Q83-S85 PolarHBondContact O-N 2.84Å
86	V	63.9	Low	60.2	Low	121 Å²	121	122.9 Å²	122.9	73%	0.733	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-68.2	134.6	163.7	178.2	0	0	0	0	107.1	K84 L88	K84-V86 PolarHBondContact O-N 3.13Å; V86-L88 PolarHBondContact O-N 3.47Å
87	Y	61.7	Low	61.8	Low	143 Å²	143	124.7 Å²	124.7	56%	0.561	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-71.7	119.3	-179.5	179.7	-86.8	0	0	0	109.7	R93	Y87-R93 PolarHBondContact OH-NH2 2.82Å
88	L	70.1	Confident	63	Low	75 Å²	75	126 Å²	126	39%	0.393	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-85	131.3	166.9	-67.1	171.7	0	0	0	109	V86 E92 R93	V86-L88 PolarHBondContact O-N 3.47Å; L88-E92 HydrophobicContact CB-CB 4.1Å; L88-E92 HydrophobicContact CD2-CB 4.07Å; L88-R93 HydrophobicContact CB-CG 4.14Å; L88-R93 VanDerWaalsContact O-CZ 3.26Å; L88-R93 PolarHBondContact O-NE 2.72Å; L88-R93 PolarHBondContact O-NH2 3.33Å
89	T	80.6	Confident	63.5	Low	57 Å²	57	125.7 Å²	125.7	35%	0.35	64%	0.636	S	S	.	*	P	Polyproline II helix	trans	-59.1	163.3	174.6	62.5	0	0	0	0	111.9	L91 E92 R93	T89-L91 PolarHBondContact O-N 3.25Å; T89-E92 VanDerWaalsContact CB-OE2 3.25Å; T89-E92 WeakPolarHBondContact CB-OE2 3.37Å; T89-E92 VanDerWaalsContact CG2-OE2 3.28Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.42Å; T89-E92 PolarHBondContact N-OE2 2.83Å; T89-E92 PolarHBondContact O-N 2.8Å; T89-E92 WeakPolarHBondContact OG1-CG 3.26Å; T89-E92 PolarHBondContact OG1-N 3.02Å; T89-E92 PolarHBondContact OG1-OE2 3.42Å; T89-R93 WeakPolarHBondContact O-CB 3.4Å; T89-R93 PolarHBondContact O-N 3.5Å
90	P	72	Confident	64.2	Low	87 Å²	87	122.8 Å²	122.8	57%	0.565	63%	0.628	S	S	*	*	H	α-helix	trans	-56.7	-31.6	174	-27	36.5	0	0	0	113.7	K94	P90-K94 PolarHBondContact O-N 2.81Å; P90-K94 VanDerWaalsContact O-N 3.1Å
91	L	64.6	Low	63.7	Low	139 Å²	139	119 Å²	119	73%	0.728	63%	0.627	S	S	*	*	H	α-helix	trans	-73.1	-45.6	177.5	-63.7	177.8	0	0	0	111.9	T89 R93 K94 A95	T89-L91 PolarHBondContact O-N 3.25Å; L91-R93 VanDerWaalsContact C-N 3.33Å; L91-R93 PolarHBondContact O-N 3.18Å; L91-K94 WeakPolarHBondContact O-CB 3.45Å; L91-K94 PolarHBondContact O-N 3.23Å; L91-K94 VanDerWaalsContact O-N 3.1Å; L91-A95 PolarHBondContact O-N 2.86Å
92	E	77.1	Confident	63.7	Low	87 Å²	87	121.7 Å²	121.7	41%	0.407	64%	0.636	S	S	.	*	H	α-helix	trans	-63.7	-39.3	174.9	-68.7	161.2	122.2	0	0	111.6	L88 T89 K94 A95 V96	L88-E92 HydrophobicContact CB-CB 4.1Å; L88-E92 HydrophobicContact CD2-CB 4.07Å; T89-E92 VanDerWaalsContact CB-OE2 3.25Å; T89-E92 WeakPolarHBondContact CB-OE2 3.37Å; T89-E92 VanDerWaalsContact CG2-OE2 3.28Å; T89-E92 WeakPolarHBondContact CG2-OE2 3.42Å; T89-E92 PolarHBondContact N-OE2 2.83Å; T89-E92 PolarHBondContact O-N 2.8Å; T89-E92 WeakPolarHBondContact OG1-CG 3.26Å; T89-E92 PolarHBondContact OG1-N 3.02Å; T89-E92 PolarHBondContact OG1-OE2 3.42Å; E92-K94 VanDerWaalsContact C-N 3.26Å; E92-K94 PolarHBondContact O-N 2.87Å; E92-A95 PolarHBondContact O-N 3.49Å; E92-V96 WeakPolarHBondContact O-CB 3.48Å; E92-V96 VanDerWaalsContact O-CG2 3.32Å; E92-V96 WeakPolarHBondContact O-CG2 3.5Å; E92-V96 PolarHBondContact O-N 2.83Å
93	R	81.4	Confident	62.8	Low	117 Å²	117	123.3 Å²	123.3	44%	0.442	64%	0.636	S	S	.	*	H	α-helix	trans	-61	-33.7	172.1	-89.9	178.2	-85.2	158	-5.7	112.7	Y87 L88 T89 L91 K97	Y87-R93 PolarHBondContact OH-NH2 2.82Å; L88-R93 HydrophobicContact CB-CG 4.14Å; L88-R93 VanDerWaalsContact O-CZ 3.26Å; L88-R93 PolarHBondContact O-NE 2.72Å; L88-R93 PolarHBondContact O-NH2 3.33Å; T89-R93 WeakPolarHBondContact O-CB 3.4Å; T89-R93 PolarHBondContact O-N 3.5Å; L91-R93 VanDerWaalsContact C-N 3.33Å; L91-R93 PolarHBondContact O-N 3.18Å; R93-K97 WeakPolarHBondContact O-CB 3.31Å; R93-K97 PolarHBondContact O-N 3.47Å
94	K	80.4	Confident	62.1	Low	118 Å²	118	122.5 Å²	122.5	51%	0.513	64%	0.637	S	S	.	*	H	α-helix	trans	-70.2	-50.3	173.4	-175.4	173.6	173.1	178	0	111.2	P90 L91 E92 V96 K97 E98	P90-K94 PolarHBondContact O-N 2.81Å; P90-K94 VanDerWaalsContact O-N 3.1Å; L91-K94 WeakPolarHBondContact O-CB 3.45Å; L91-K94 PolarHBondContact O-N 3.23Å; L91-K94 VanDerWaalsContact O-N 3.1Å; E92-K94 VanDerWaalsContact C-N 3.26Å; E92-K94 PolarHBondContact O-N 2.87Å; K94-V96 PolarHBondContact O-N 2.81Å; K94-K97 WeakPolarHBondContact O-CB 3.28Å; K94-K97 PolarHBondContact O-N 3.43Å; K94-E98 WeakPolarHBondContact CE-OE1 3.45Å; K94-E98 HydrophobicContact CG-CG 4.48Å; K94-E98 IonicContact NZ-OE1 3.83Å; K94-E98 WeakPolarHBondContact O-CG 3.27Å; K94-E98 PolarHBondContact O-N 2.8Å
95	A	73.4	Confident	61.4	Low	57 Å²	57	118.6 Å²	118.6	47%	0.471	64%	0.636	S	S	.	*	H	α-helix	trans	-59.1	-43.3	178.6	0	0	0	0	0	112.9	L91 E92 K97 E98 S99	L91-A95 PolarHBondContact O-N 2.86Å; E92-A95 PolarHBondContact O-N 3.49Å; A95-K97 VanDerWaalsContact C-N 3.33Å; A95-K97 PolarHBondContact O-N 2.74Å; A95-E98 PolarHBondContact O-N 3.2Å; A95-S99 WeakPolarHBondContact O-CB 3.16Å; A95-S99 PolarHBondContact O-N 2.78Å
96	V	77.1	Confident	60.4	Low	76 Å²	76	117.2 Å²	117.2	46%	0.461	63%	0.631	S	S	.	*	H	α-helix	trans	-61.7	-41.8	174.4	170.7	0	0	0	0	110.9	E92 K94 E98 S99	E92-V96 WeakPolarHBondContact O-CB 3.48Å; E92-V96 VanDerWaalsContact O-CG2 3.32Å; E92-V96 WeakPolarHBondContact O-CG2 3.5Å; E92-V96 PolarHBondContact O-N 2.83Å; K94-V96 PolarHBondContact O-N 2.81Å; V96-E98 PolarHBondContact O-N 3.23Å; V96-S99 PolarHBondContact O-N 2.91Å; V96-S99 PolarHBondContact O-OG 2.66Å
97	K	73.5	Confident	58.9	Low	177 Å²	177	119.1 Å²	119.1	77%	0.77	64%	0.636	S	S	*	*	H	α-helix	trans	-67.8	-32.6	178	-167.2	179.5	-178.8	-171.7	0	113	R93 K94 A95	R93-K97 WeakPolarHBondContact O-CB 3.31Å; R93-K97 PolarHBondContact O-N 3.47Å; K94-K97 WeakPolarHBondContact O-CB 3.28Å; K94-K97 PolarHBondContact O-N 3.43Å; A95-K97 VanDerWaalsContact C-N 3.33Å; A95-K97 PolarHBondContact O-N 2.74Å
98	E	68.4	Low	57.4	Low	135 Å²	135	116.7 Å²	116.7	63%	0.631	65%	0.646	S	S	*	*	H	α-helix	trans	-78.7	-21.5	176	-71.8	172	167.7	0	0	112.9	K94 A95 V96	K94-E98 WeakPolarHBondContact CE-OE1 3.45Å; K94-E98 HydrophobicContact CG-CG 4.48Å; K94-E98 IonicContact NZ-OE1 3.83Å; K94-E98 WeakPolarHBondContact O-CG 3.27Å; K94-E98 PolarHBondContact O-N 2.8Å; A95-E98 PolarHBondContact O-N 3.2Å; V96-E98 PolarHBondContact O-N 3.23Å
99	S	55.3	Low	55.6	Low	85 Å²	85	118.8 Å²	118.8	59%	0.594	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-9.9	177.4	73.1	0	0	0	0	115.6	A95 V96	A95-S99 WeakPolarHBondContact O-CB 3.16Å; A95-S99 PolarHBondContact O-N 2.78Å; V96-S99 PolarHBondContact O-N 2.91Å; V96-S99 PolarHBondContact O-OG 2.66Å
100	L	60.4	Low	53.5	Low	122 Å²	122	121.9 Å²	121.9	64%	0.639	69%	0.688	S	S	*	*	S	Bend	trans	-78.1	127.7	177.7	-101	75.7	0	0	0	110.9	S102	L100-S102 PolarHBondContact O-N 2.82Å
101	P	38	Very low	51.8	Low	116 Å²	116	124.1 Å²	124.1	75%	0.753	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-69.8	116.1	-177.6	26.7	-33.9	0	0	0	112.1	R103	P101-R103 PolarHBondContact O-N 2.76Å
102	S	38.3	Very low	50.3	Low	117 Å²	117	126.3 Å²	126.3	82%	0.818	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-58.5	122.5	176.9	-57.4	0	0	0	0	112.5	L100	L100-S102 PolarHBondContact O-N 2.82Å
103	R	32.5	Very low	48	Very low	251 Å²	251	128.3 Å²	128.3	95%	0.947	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-94.4	121.4	165.2	-68.8	-169.3	-179.9	-144.9	1.2	109.9	P101	P101-R103 PolarHBondContact O-N 2.76Å
104	L	35.5	Very low	45.6	Very low	170 Å²	170	127.1 Å²	127.1	89%	0.89	75%	0.747	S	S	*	*			trans	-107.7	143.9	172.1	-77.8	175.5	0	0	0	112.6
105	S	34.2	Very low	43.2	Very low	123 Å²	123	131.8 Å²	131.8	86%	0.86	77%	0.768	S	S	*	*			trans	-27.5	134.6	178.9	-165	0	0	0	0	120.7
106	A	30	Very low	41.1	Very low	88 Å²	88	138.5 Å²	138.5	73%	0.727	79%	0.786	S	S	*	*			trans	-163	144.6	143.9	0	0	0	0	0	107.6
107	L	31.7	Very low	38.7	Very low	162 Å²	162	141 Å²	141	85%	0.848	80%	0.802	S	S	*	*			cis	-156	157.5	-2.8	-155.7	79.5	0	0	0	109.8
108	A	30.8	Very low	36.8	Very low	92 Å²	92	138.8 Å²	138.8	76%	0.76	80%	0.799	S	S	*	*			trans	55.4	138.1	153.5	0	0	0	0	0	122.5
109	S	33.5	Very low	35	Very low	118 Å²	118	140.3 Å²	140.3	83%	0.825	80%	0.803	S	S	*	*			trans	-104.7	158.2	170.1	-43.9	0	0	0	0	112
110	P	34.8	Very low	33.8	Very low	123 Å²	123	144.7 Å²	144.7	80%	0.799	81%	0.812	S	S	*	*			trans	-116	159.4	149.6	-0.6	22.3	0	0	0	113.4
111	P	37.1	Very low	32.4	Very low	133 Å²	133	144.7 Å²	144.7	86%	0.864	81%	0.81	S	S	*	*			trans	-102.7	-177.4	-168.2	40.6	-37.5	0	0	0	115.6
112	Q	32	Very low	32.1	Very low	186 Å²	186	146.8 Å²	146.8	87%	0.869	81%	0.807	S	S	*	*			trans	-78.2	151.4	177.1	-55.5	175.7	0.4	0	0	113.7
113	S	29.1	Very low	31.8	Very low	129 Å²	129	149.6 Å²	149.6	90%	0.902	80%	0.804	S	S	*	*				167.1	169.6	123.9	52.6	0	0	0	0	111.7
114	A	32.6	Very low	31.7	Very low	91 Å²	91	143.5 Å²	143.5	75%	0.752	80%	0.795	S	S	*	*			trans	-113.2	154.5	-171.9	0	0	0	0	0	113.7
115	K	28.4	Very low	31.7	Very low	216 Å²	216	139 Å²	139	94%	0.939	78%	0.782	S	S	*	*			trans	-158.1	166.3	155.7	-108.8	153.5	-171.5	176.1	0	112
116	K	29.5	Very low	31.5	Very low	198 Å²	198	142.7 Å²	142.7	86%	0.861	78%	0.783	S	S	*	*			trans	-102.3	-167.8	-169.9	-63.3	180	176	177.3	0	112.3
117	T	28.1	Very low	31.4	Very low	129 Å²	129	150.2 Å²	150.2	79%	0.791	79%	0.793	S	S	*	*			trans	90.4	135.8	164.6	71.8	0	0	0	0	115.6
118	D	32.1	Very low	31.4	Very low	131 Å²	131	145.6 Å²	145.6	70%	0.701	78%	0.784	S	S	*	*			cis	-163.3	-179.8	-18.4	-137.5	-72.5	0	0	0	112.6
119	K	31.3	Very low	31.5	Very low	166 Å²	166	149.3 Å²	149.3	72%	0.722	79%	0.791	S	S	*	*			trans	62.8	113	153.4	-80.7	165.3	-171.3	168.4	0	118.2
120	K	29	Very low	31.6	Very low	178 Å²	178	153.1 Å²	153.1	77%	0.774	79%	0.793	S	S	*	*				106.3	152.8	80.9	-106.8	-170.2	177.2	-173.1	0	110.7
121	M	32.1	Very low	32.3	Very low	122 Å²	122	152.5 Å²	152.5	60%	0.601	79%	0.788	S	S	*	*			cis	-162.3	149.1	-1	-163.2	160.5	68.8	0	0	112.4
122	K	32.1	Very low	32	Very low	160 Å²	160	157.1 Å²	157.1	70%	0.696	79%	0.789	S	S	*	*			trans	63.3	122.8	152.6	-87.4	179.9	-171.1	179.1	0	119.7
123	K	32.4	Very low	32	Very low	175 Å²	175	157.4 Å²	157.4	76%	0.761	79%	0.787	S	S	*	*				82.2	150.8	86	-80.3	-161.7	174.7	-169.6	0	113.8
124	T	30	Very low	32	Very low	123 Å²	123	157 Å²	157	76%	0.755	78%	0.784	S	S	*	*			cis	-167.5	173.6	2.2	11.7	0	0	0	0	109.3
125	A	34.3	Very low	31.7	Very low	75 Å²	75	157.3 Å²	157.3	62%	0.62	78%	0.781	S	S	*	*			cis	-169	174.3	-8.7	0	0	0	0	0	110.8
126	K	30.4	Very low	31.7	Very low	201 Å²	201	153.8 Å²	153.8	87%	0.874	78%	0.777	S	S	*	*			trans	74.7	155.6	161	-63.2	169.6	178.9	175.9	0	115.8
127	R	28.3	Very low	31.7	Very low	247 Å²	247	147.4 Å²	147.4	93%	0.932	77%	0.768	S	S	*	*			cis	-141.5	169.3	8.5	-153.4	174.9	177.3	-173.7	-1.7	111.6
128	G	31	Very low	32.3	Very low	64 Å²	64	146.7 Å²	146.7	66%	0.66	77%	0.768	S	S	*	*			trans	-75.4	-163.7	-175.5	0	0	0	0	0	116.5
129	N	33.1	Very low	32.3	Very low	170 Å²	170	145.9 Å²	145.9	91%	0.909	76%	0.763	S	S	*	*			cis	-151.7	178.6	22.8	-102.4	-4.8	0	0	0	114.1
130	K	35.6	Very low	32.7	Very low	199 Å²	199	146.4 Å²	146.4	87%	0.865	77%	0.766	S	S	*	*			trans	-97.6	-169.5	168.3	-55.2	179.6	179.4	175.4	0	109.7
131	P	48.9	Very low	33	Very low	109 Å²	109	149.3 Å²	149.3	71%	0.708	77%	0.772	S	S	*	*			cis	-147.7	178.3	1.9	45.5	-25.2	0	0	0	119.6
132	R	32.4	Very low	33	Very low	231 Å²	231	147.5 Å²	147.5	87%	0.872	78%	0.776	S	S	*	*			trans	45.1	122.9	140.3	-74.9	179.8	172.8	-175.4	-1.1	125.2
133	K	30.8	Very low	33	Very low	191 Å²	191	149.2 Å²	149.2	83%	0.83	78%	0.784	S	S	*	*				58.8	131.5	127.2	-77.7	-166.9	170.7	-170	0	124.3
134	S	29	Very low	32.8	Very low	120 Å²	120	148 Å²	148	84%	0.839	78%	0.778	S	S	*	*			trans	72.8	158.8	145.3	73.7	0	0	0	0	117.9
135	S	27.1	Very low	32.9	Very low	98 Å²	98	149.5 Å²	149.5	69%	0.685	78%	0.777	S	S	*	*			cis	-158.9	175.3	14.8	65.1	0	0	0	0	113.3
136	V	28.7	Very low	32.8	Very low	143 Å²	143	151.7 Å²	151.7	87%	0.867	78%	0.783	S	S	*	*			trans	65.7	148.8	164	-176.9	0	0	0	0	117.7
137	G	29.3	Very low	32.8	Very low	64 Å²	64	153.3 Å²	153.3	66%	0.66	78%	0.783	S	S	*	*			cis	155.5	118.2	-17.7	0	0	0	0	0	116.7
138	S	39.8	Very low	32.9	Very low	113 Å²	113	147.3 Å²	147.3	79%	0.79	78%	0.779	S	S	*	*			trans	67.5	154.3	169.3	-121.9	0	0	0	0	117.7
139	N	32.8	Very low	32.8	Very low	114 Å²	114	149.3 Å²	149.3	61%	0.61	78%	0.783	S	S	*	*			cis	-148.5	141.4	27.3	-115.2	-54	0	0	0	113.4
140	K	39.3	Very low	33.2	Very low	177 Å²	177	147 Å²	147	77%	0.77	78%	0.777	S	S	*	*			trans	52	141.5	144.7	-67.3	161.7	-171.4	164	0	119.1
141	R	36.3	Very low	32.9	Very low	240 Å²	240	142.3 Å²	142.3	91%	0.906	77%	0.77	S	S	*	*			cis	-163.1	168.1	14	-116.5	172.3	175.8	178.2	-1.2	106.7
142	A	32	Very low	32.8	Very low	84 Å²	84	142.2 Å²	142.2	69%	0.694	77%	0.769	S	S	*	*			cis	-175.4	160.6	-40.9	0	0	0	0	0	109
143	K	31.8	Very low	32.6	Very low	196 Å²	196	136.7 Å²	136.7	85%	0.852	76%	0.761	S	S	*	*			trans	71.8	139.6	166.9	-78.7	-176.1	177.9	-178.8	0	118.3
144	K	28.3	Very low	32.5	Very low	149 Å²	149	136.7 Å²	136.7	65%	0.648	76%	0.761	S	S	*	*			cis	-156.6	114.6	-10.2	-160.9	172.2	-169.9	-76.7	0	113.9
145	E	31	Very low	32.4	Very low	154 Å²	154	136.4 Å²	136.4	72%	0.72	75%	0.754	S	S	*	*			trans	60.1	156.1	144.5	-66.8	157.3	-163.1	0	0	122.9
146	T	33.3	Very low	32.5	Very low	122 Å²	122	138.9 Å²	138.9	75%	0.748	76%	0.758	S	S	*	*			trans	-159.7	136.7	-152.8	-52.4	0	0	0	0	111.9
147	R	30.4	Very low	32.4	Very low	234 Å²	234	139.4 Å²	139.4	88%	0.883	75%	0.751	S	S	*	*			trans	49.6	141.5	156.4	-71.7	176.1	170.4	-173	-3	121.6
148	S	29.8	Very low	32.3	Very low	121 Å²	121	142.1 Å²	142.1	85%	0.846	75%	0.75	S	S	*	*				138.4	157.5	115.1	65.5	0	0	0	0	117.3
149	S	29.2	Very low	31.6	Very low	107 Å²	107	142.4 Å²	142.4	75%	0.748	75%	0.747	S	S	*	*			trans	-76.5	174.3	-178.5	50.9	0	0	0	0	113.5
150	P	40.7	Very low	31.2	Very low	120 Å²	120	146 Å²	146	78%	0.779	75%	0.752	S	S	*	*			cis	-141.7	-156.1	22.4	42.5	-20.3	0	0	0	116.3
151	S	31.3	Very low	30.6	Very low	101 Å²	101	143.5 Å²	143.5	71%	0.706	76%	0.756	S	S	*	*			trans	-70.1	177.8	172.5	60.1	0	0	0	0	112.8
152	P	45.5	Very low	30.2	Very low	108 Å²	108	137 Å²	137	70%	0.701	74%	0.738	S	S	*	*			cis	-149.7	-176	17.6	41.7	-19.2	0	0	0	119.2
153	V	28.2	Very low	29.9	Very low	114 Å²	114	140 Å²	140	69%	0.691	75%	0.748	S	S	*	*			trans	74.1	131.1	137.6	146.7	0	0	0	0	122.8
154	K	29.6	Very low	29.9	Very low	192 Å²	192	136 Å²	136	84%	0.835	75%	0.745	S	S	*	*			trans	64.4	162.2	160.6	-72	166.3	-172.9	177.7	0	117.5
155	T	26.1	Very low	30	Very low	113 Å²	113	134.4 Å²	134.4	69%	0.693	75%	0.753	S	S	*	*			cis	-165.2	177.9	-29.7	-75.3	0	0	0	0	106.2
156	I	29.8	Very low	30	Very low	150 Å²	150	131.9 Å²	131.9	77%	0.769	76%	0.758	S	S	*	*			trans	78.4	143.4	167.6	-49.4	-178.1	0	0	0	113.8
157	Q	25.3	Very low	29.8	Very low	155 Å²	155	130.2 Å²	130.2	72%	0.724	76%	0.757	S	S	*	*			cis	-175.3	-179.2	-43.7	-120.3	-147.4	90.6	0	0	107.3
158	L	27.1	Very low	30	Very low	121 Å²	121	123.8 Å²	123.8	63%	0.634	75%	0.748	S	S	*	*			trans	64.6	105.7	146.6	-76.9	162.2	0	0	0	120.7
159	T	25.4	Very low	30	Very low	119 Å²	119	125.5 Å²	125.5	73%	0.73	75%	0.748	S	S	*	*				73.4	156	121.8	53.1	0	0	0	0	121.4
160	R	25.7	Very low	29.9	Very low	189 Å²	189	128.7 Å²	128.7	71%	0.713	76%	0.756	S	S	*	*			cis	-174.5	145.5	-11.6	160.7	-178.9	-173.3	-172.1	-0.3	109.9	N162	R160-N162 VanDerWaalsContact CG-OD1 3.23Å; R160-N162 WeakPolarHBondContact CG-OD1 3.23Å; R160-N162 PolarHBondContact NE-OD1 3.38Å
161	C	25.8	Very low	29.5	Very low	125 Å²	125	128.7 Å²	128.7	85%	0.845	75%	0.753	S	S	*	*			trans	-176.4	113.1	137.6	-99.6	0	0	0	0	107.5
162	N	27.3	Very low	29.6	Very low	102 Å²	102	129.5 Å²	129.5	55%	0.545	76%	0.759	S	S	.	*				63.5	101.6	63.4	-79.6	73	0	0	0	114.4	R160	R160-N162 VanDerWaalsContact CG-OD1 3.23Å; R160-N162 WeakPolarHBondContact CG-OD1 3.23Å; R160-N162 PolarHBondContact NE-OD1 3.38Å
163	T	27.4	Very low	29.1	Very low	147 Å²	147	129.2 Å²	129.2	90%	0.902	76%	0.76	S	S	*	*			trans	-123.1	161.9	137.6	45.5	0	0	0	0	108.1
164	S	30.9	Very low	29.2	Very low	112 Å²	112	128.8 Å²	128.8	78%	0.783	76%	0.761	S	S	*	*			trans	-152.7	140.5	-150.9	54	0	0	0	0	116.5
165	S	31.2	Very low	29.3	Very low	116 Å²	116	125.1 Å²	125.1	81%	0.811	76%	0.76	S	S	*	*			trans	-158	122.7	152.2	37.1	0	0	0	0	106.9
166	A	29.3	Very low	29.5	Very low	101 Å²	101	124.5 Å²	124.5	84%	0.835	76%	0.761	S	S	*	*				88.2	132	54.6	0	0	0	0	0	112.3
167	A	30.6	Very low	29.9	Very low	87 Å²	87	124.2 Å²	124.2	72%	0.719	77%	0.765	S	S	*	*			cis	-162.4	163.3	-12.4	0	0	0	0	0	112.3
168	S	33.9	Very low	31.5	Very low	100 Å²	100	122.1 Å²	122.1	70%	0.699	77%	0.765	S	S	*	*			trans	28	124.1	150.7	53.4	0	0	0	0	121.2
169	N	29.7	Very low	32.5	Very low	156 Å²	156	121.7 Å²	121.7	83%	0.834	77%	0.77	S	S	*	*				80.8	132.8	57.2	-72.2	4	0	0	0	116
170	L	27.6	Very low	32.7	Very low	175 Å²	175	123.6 Å²	123.6	92%	0.916	78%	0.776	S	S	*	*			trans	-144.7	163.3	152.9	-96.2	171.8	0	0	0	109.2
171	T	31.6	Very low	33.1	Very low	119 Å²	119	119.7 Å²	119.7	73%	0.73	78%	0.777	S	S	*	*			trans	-147.5	166	-159.9	34.8	0	0	0	0	115.3
172	S	33.9	Very low	33.5	Very low	118 Å²	118	123.2 Å²	123.2	83%	0.825	78%	0.778	S	S	*	*			trans	79	153.5	168.3	87.5	0	0	0	0	116.3
173	S	33.8	Very low	34.4	Very low	103 Å²	103	124.5 Å²	124.5	72%	0.72	79%	0.792	S	S	*	*			cis	-162.3	-178.2	-2.9	43.2	0	0	0	0	112.4
174	S	31.3	Very low	34.8	Very low	104 Å²	104	122 Å²	122	73%	0.727	79%	0.786	S	S	*	*			trans	63.6	130.7	175.3	44.5	0	0	0	0	117.2
175	S	32.3	Very low	35	Very low	116 Å²	116	124.3 Å²	124.3	81%	0.811	78%	0.784	S	S	*	*			cis	75.8	133	49.5	77.9	0	0	0	0	113.6
176	S	30.2	Very low	35.4	Very low	100 Å²	100	121.8 Å²	121.8	70%	0.699	77%	0.771	S	S	*	*			cis	-167.4	140.7	27.1	58.2	0	0	0	0	117
177	V	37.1	Very low	36.2	Very low	143 Å²	143	124.8 Å²	124.8	87%	0.867	77%	0.765	S	S	*	*			trans	52.2	160.6	154.3	-75.4	0	0	0	0	124.3
178	P	59.9	Low	36.5	Very low	112 Å²	112	130.4 Å²	130.4	73%	0.727	77%	0.773	S	S	*	*			trans	-122.5	-158.6	-162.6	41	-21.3	0	0	0	114.2
179	P	48.2	Very low	36.5	Very low	111 Å²	111	130.2 Å²	130.2	72%	0.721	78%	0.778	S	S	*	*				-155	168.1	82.7	41.7	-22	0	0	0	119
180	N	29.1	Very low	36.9	Very low	160 Å²	160	129.9 Å²	129.9	86%	0.856	77%	0.774	S	S	*	*			trans	62.5	148.3	157.4	-89.4	-14.8	0	0	0	121
181	S	34.5	Very low	37.1	Very low	107 Å²	107	127.6 Å²	127.6	75%	0.748	77%	0.768	S	S	*	*			cis	-143.2	155.3	-2.7	52.2	0	0	0	0	113
182	K	33.7	Very low	37.3	Very low	198 Å²	198	128.2 Å²	128.2	86%	0.861	77%	0.765	S	S	*	*			trans	-80.7	162.8	175.6	-75.5	177.2	-178.2	175.8	0	110.4
183	P	46.3	Very low	37.3	Very low	129 Å²	129	127.6 Å²	127.6	84%	0.838	76%	0.761	S	S	*	*			cis	-120.7	-139.9	32.1	27.2	-1.6	0	0	0	112
184	A	35	Very low	37.3	Very low	94 Å²	94	132.1 Å²	132.1	78%	0.777	77%	0.768	S	S	*	*			cis	-156	-146.2	9.4	0	0	0	0	0	113.9
185	E	36.2	Very low	37.2	Very low	161 Å²	161	130.1 Å²	130.1	75%	0.752	76%	0.764	S	S	*	*			trans	-139.7	160.6	-163.3	-90.7	-148.5	93.3	0	0	111.2	K187	E185-K187 WeakPolarHBondContact OE1-CE 3.48Å; E185-K187 IonicContact OE1-NZ 3.82Å; E185-K187 PolarHBondContact OE1-NZ 3.39Å
186	A	39.8	Very low	37.3	Very low	64 Å²	64	130 Å²	130	53%	0.529	76%	0.763	S	S	.	*			cis	-170	171.6	-13.2	0	0	0	0	0	113.9
187	K	44.8	Very low	37.6	Very low	164 Å²	164	132 Å²	132	71%	0.713	77%	0.765	S	S	*	*			trans	59.7	78.7	154	-63.6	137.3	-157	159.1	0	115.4	E185	E185-K187 WeakPolarHBondContact OE1-CE 3.48Å; E185-K187 IonicContact OE1-NZ 3.82Å; E185-K187 PolarHBondContact OE1-NZ 3.39Å
188	K	38.2	Very low	37.6	Very low	205 Å²	205	133.8 Å²	133.8	89%	0.891	76%	0.761	S	S	*	*				78.2	102.7	81.5	-74.6	-177.2	175.1	-176.3	0	115
189	A	34	Very low	36.8	Very low	95 Å²	95	134.7 Å²	134.7	79%	0.785	77%	0.767	S	S	*	*			trans	-83.4	161.7	154.7	0	0	0	0	0	111
190	I	37.9	Very low	36.1	Very low	149 Å²	149	138.8 Å²	138.8	76%	0.764	77%	0.773	S	S	*	*			trans	-135.2	114	163.5	-63.4	-178.2	0	0	0	108.7	I192	I190-I192 HydrophobicContact CG2-CD1 4.21Å; I190-I192 HydrophobicContact CG2-CG1 3.97Å
191	T	31	Very low	36.7	Very low	128 Å²	128	137.4 Å²	137.4	79%	0.785	77%	0.773	S	S	*	*			trans	-97	127.2	169.6	-59.9	0	0	0	0	108.9
192	I	35.4	Very low	36.7	Very low	131 Å²	131	142.1 Å²	142.1	67%	0.672	78%	0.78	S	S	*	*			trans	-140.1	119.9	162.1	-48.3	177.9	0	0	0	109.3	I190 F194	I190-I192 HydrophobicContact CG2-CD1 4.21Å; I190-I192 HydrophobicContact CG2-CG1 3.97Å; I192-F194 HydrophobicContact CG2-CD2 3.81Å; I192-F194 HydrophobicContact CG2-CE2 3.67Å
193	S	33.8	Very low	37.1	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	78%	0.777	S	S	*	*			trans	-86.5	139.6	171.6	-55	0	0	0	0	110.5
194	F	33.7	Very low	36.5	Very low	198 Å²	198	144 Å²	144	87%	0.868	78%	0.781	S	S	*	*			trans	-138.7	139.5	164.1	-93.8	-76.4	0	0	0	111.9	I192	I192-F194 HydrophobicContact CG2-CD2 3.81Å; I192-F194 HydrophobicContact CG2-CE2 3.67Å
195	G	29.8	Very low	36.8	Very low	62 Å²	62	146.1 Å²	146.1	64%	0.639	78%	0.784	S	S	*	*			trans	-134	176.8	171.5	0	0	0	0	0	111.4
196	S	34.4	Very low	36.6	Very low	113 Å²	113	141.9 Å²	141.9	79%	0.79	78%	0.784	S	S	*	*			trans	82.3	104.1	176.3	78	0	0	0	0	119.1
197	L	36.2	Very low	36.7	Very low	141 Å²	141	143.6 Å²	143.6	74%	0.738	80%	0.798	S	S	*	*				64.7	102.7	124.8	-59.8	172.7	0	0	0	122
198	K	38.3	Very low	36.5	Very low	182 Å²	182	139.6 Å²	139.6	79%	0.791	80%	0.795	S	S	*	*				62.5	120	129.2	-61.4	173	-178.9	168.1	0	120.3
199	P	42.4	Very low	36.4	Very low	130 Å²	130	138 Å²	138	84%	0.844	79%	0.789	S	S	*	*			trans	-95	146.2	145.3	34.5	-29.4	0	0	0	112.5
200	K	33.7	Very low	36.8	Very low	197 Å²	197	142.8 Å²	142.8	86%	0.857	79%	0.792	S	S	*	*			trans	-129.3	141.8	156.1	-86.2	-171.7	175	-172.7	0	107.5
201	P	42.3	Very low	36.9	Very low	131 Å²	131	139 Å²	139	85%	0.851	79%	0.79	S	S	*	*			trans	-68.5	147.2	-176.7	28.7	-35	0	0	0	111.9
202	K	34.3	Very low	37.3	Very low	206 Å²	206	140 Å²	140	90%	0.896	80%	0.796	S	S	*	*			trans	-113.2	142.3	165.9	-77.8	-175.6	176	178.9	0	109.5
203	I	40.5	Very low	37.2	Very low	156 Å²	156	137.2 Å²	137.2	80%	0.8	80%	0.8	S	S	*	*			trans	-90.7	140.6	-174.8	-53.7	161.2	0	0	0	108.8	V205	I203-V205 HydrophobicContact CG2-CG2 4.07Å
204	F	35.3	Very low	37.6	Very low	211 Å²	211	142.4 Å²	142.4	93%	0.925	81%	0.809	S	S	*	*			trans	-88.6	133.5	168.7	-108.7	-95.7	0	0	0	110.5
205	V	40.7	Very low	38.1	Very low	138 Å²	138	142.6 Å²	142.6	84%	0.836	81%	0.81	S	S	*	*			trans	-142.9	135.8	178.9	179.5	0	0	0	0	110.5	I203	I203-V205 HydrophobicContact CG2-CG2 4.07Å
206	G	32.8	Very low	39.2	Very low	72 Å²	72	145.1 Å²	145.1	74%	0.742	82%	0.815	S	S	*	*			trans	146.5	146.6	173.3	0	0	0	0	0	111.1
207	A	40.9	Very low	39.2	Very low	101 Å²	101	147.6 Å²	147.6	84%	0.835	82%	0.816	S	S	*	*			cis	-166.1	154.9	-1.2	0	0	0	0	0	108.4
208	A	40.7	Very low	39.7	Very low	79 Å²	79	145.2 Å²	145.2	65%	0.653	81%	0.811	S	S	*	*			cis	-164.7	-139.8	-12.7	0	0	0	0	0	107.9
209	F	36.1	Very low	39.7	Very low	173 Å²	173	144 Å²	144	76%	0.759	81%	0.81	S	S	*	*			trans	76	139.1	170.5	-51.8	-78.3	0	0	0	117.1
210	F	43.4	Very low	39.4	Very low	194 Å²	194	146.9 Å²	146.9	85%	0.851	81%	0.806	S	S	*	*			cis	-127.1	166.8	3.7	-76.3	-83.6	0	0	0	113.2
211	G	38.2	Very low	39.5	Very low	69 Å²	69	143.9 Å²	143.9	71%	0.711	79%	0.792	S	S	*	*			trans	-82.1	176.1	170.9	0	0	0	0	0	113.5
212	T	40.3	Very low	39.2	Very low	149 Å²	149	148.6 Å²	148.6	91%	0.914	79%	0.793	S	S	*	*				-147.9	148.1	54.8	51.4	0	0	0	0	111.4
213	G	34.4	Very low	39.1	Very low	74 Å²	74	144.4 Å²	144.4	76%	0.763	79%	0.79	S	S	*	*				93.5	134.6	91	0	0	0	0	0	112
214	K	41.9	Very low	38.9	Very low	214 Å²	214	141.3 Å²	141.3	93%	0.93	79%	0.788	S	S	*	*			cis	-144.3	178.3	2.3	-66.9	178.9	-179.5	174.6	0	110.7
215	K	43.9	Very low	39.6	Very low	202 Å²	202	136.6 Å²	136.6	88%	0.878	78%	0.778	S	S	*	*			trans	-102.2	-166.7	-174.5	-55.8	-177.9	-177.9	176.5	0	112
216	P	51.7	Low	39.2	Very low	116 Å²	116	141.1 Å²	141.1	75%	0.753	78%	0.78	S	S	*	*			cis	-127.4	-156.7	-1.7	36.9	-12.5	0	0	0	113.1
217	M	36	Very low	39.1	Very low	165 Å²	165	142.7 Å²	142.7	81%	0.813	78%	0.78	S	S	*	*			cis	-133.6	-177.5	7.6	-77.7	-155.9	175.7	0	0	110.4
218	S	45.7	Very low	38.7	Very low	91 Å²	91	143 Å²	143	64%	0.636	78%	0.776	S	S	*	*			cis	80.7	137.9	19.5	167.5	0	0	0	0	116.5
219	M	37.6	Very low	38.2	Very low	155 Å²	155	145.6 Å²	145.6	76%	0.764	78%	0.784	S	S	*	*			cis	-164.2	154.9	-16	-105.6	-154.7	-54.8	0	0	111.9
220	Y	37.1	Very low	38.1	Very low	192 Å²	192	146.4 Å²	146.4	75%	0.753	79%	0.787	S	S	*	*			trans	60.1	166.9	153.4	-95.6	-136.9	0	0	0	120.6
221	K	36.7	Very low	37.9	Very low	133 Å²	133	143.3 Å²	143.3	58%	0.578	79%	0.787	S	S	*	*			cis	-178.4	122.6	-41.3	174.5	-176.7	-176.2	-175.6	0	112.4
222	R	34.8	Very low	37.5	Very low	230 Å²	230	144.3 Å²	144.3	87%	0.868	79%	0.788	S	S	*	*			trans	61.9	165.7	172.9	-68.3	-179	172.4	-179.3	-4	114.5
223	S	31.7	Very low	37.9	Very low	118 Å²	118	142.5 Å²	142.5	83%	0.825	78%	0.779	S	S	*	*			cis	-150.6	173.8	3.6	5.3	0	0	0	0	111.2
224	A	37.3	Very low	37.7	Very low	91 Å²	91	144.7 Å²	144.7	75%	0.752	78%	0.777	S	S	*	*			trans	-95.5	-178.4	171.3	0	0	0	0	0	111.3
225	P	50.8	Low	37	Very low	112 Å²	112	144 Å²	144	73%	0.727	77%	0.774	S	S	*	*			cis	-143.7	-171.3	5.7	44.5	-25.3	0	0	0	117.9
226	R	30.9	Very low	36.2	Very low	233 Å²	233	139.9 Å²	139.9	88%	0.879	77%	0.766	S	S	*	*			trans	96	145.3	148.7	-82	-176.3	173.5	-167.4	-1.7	123.3
227	S	31.4	Very low	35.2	Very low	106 Å²	106	144 Å²	144	74%	0.741	77%	0.772	S	S	*	*			trans	76.1	126.4	153.2	26.7	0	0	0	0	122.9
228	S	31.9	Very low	34.9	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	77%	0.769	S	S	*	*			trans	20	150.9	139.5	59.9	0	0	0	0	121.6
229	T	31.2	Very low	33.9	Very low	132 Å²	132	142.6 Å²	142.6	81%	0.81	78%	0.777	S	S	*	*			cis	-156.4	166.7	37.6	-42.7	0	0	0	0	112.6
230	K	34.1	Very low	33.3	Very low	191 Å²	191	141.5 Å²	141.5	83%	0.83	78%	0.779	S	S	*	*			trans	-71.7	163.3	162.7	-64.9	-177.6	173.9	178.8	0	111.1
231	P	39.1	Very low	32.8	Very low	129 Å²	129	140.2 Å²	140.2	84%	0.838	78%	0.78	S	S	*	*				-138.8	-176.8	91.2	38.8	-25.6	0	0	0	114.7
232	A	29.3	Very low	33.1	Very low	89 Å²	89	138.9 Å²	138.9	74%	0.736	79%	0.785	S	S	*	*			trans	-121.5	-150.9	167.8	0	0	0	0	0	106.5
233	P	48.2	Very low	33.1	Very low	112 Å²	112	134.7 Å²	134.7	73%	0.727	78%	0.775	S	S	*	*			cis	-147.1	-175.1	-0.7	39.6	-15.5	0	0	0	117.5
234	V	30.7	Very low	33.2	Very low	119 Å²	119	136.1 Å²	136.1	72%	0.721	77%	0.769	S	S	*	*			trans	43.2	127.5	159.3	-129.8	0	0	0	0	122.4
235	K	26.2	Very low	32.8	Very low	201 Å²	201	138 Å²	138	87%	0.874	77%	0.767	S	S	*	*				-177	177.5	109.2	-98.2	170.2	-174.3	-179.5	0	113.8
236	T	26.9	Very low	31.9	Very low	114 Å²	114	140 Å²	140	70%	0.699	76%	0.763	S	S	*	*			trans	-137.2	152.5	-153.4	51.5	0	0	0	0	114.2
237	K	31.3	Very low	32	Very low	203 Å²	203	135.3 Å²	135.3	88%	0.883	75%	0.752	S	S	*	*			trans	67.5	150.3	162.8	-70.7	177.5	178.9	-175.8	0	114.5
238	S	29.1	Very low	31.6	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	75%	0.754	S	S	*	*			cis	-170.3	166.3	4.5	35.9	0	0	0	0	112.7
239	C	25.5	Very low	32.3	Very low	118 Å²	118	136.3 Å²	136.3	80%	0.797	75%	0.751	S	S	*	*			trans	89.5	153.2	142.7	-141.6	0	0	0	0	121.9
240	T	24.1	Very low	32	Very low	133 Å²	133	138.8 Å²	138.8	82%	0.816	75%	0.751	S	S	*	*			trans	105.7	140.5	148.1	-14.3	0	0	0	0	120.1
241	E	28.4	Very low	31.7	Very low	165 Å²	165	137.4 Å²	137.4	77%	0.771	75%	0.747	S	S	*	*			trans	-87.5	-155.4	179.8	-135.5	-167.1	-120.7	0	0	110.1
242	P	41.6	Very low	31.1	Very low	105 Å²	105	138.1 Å²	138.1	68%	0.682	74%	0.739	S	S	*	*			cis	-127.3	-165.4	18.4	45.6	-26.3	0	0	0	113.2
243	Q	35.3	Very low	31	Very low	141 Å²	141	139.3 Å²	139.3	66%	0.659	73%	0.733	S	S	*	*			cis	-160.4	178.4	7	-151.7	-178.4	52.1	0	0	111
244	Q	33.7	Very low	30.1	Very low	148 Å²	148	141 Å²	141	69%	0.692	73%	0.731	S	S	*	*			trans	79.1	157.8	155.3	-71.2	173.6	35.1	0	0	117.7
245	N	29.7	Very low	30	Very low	132 Å²	132	143.3 Å²	143.3	71%	0.706	73%	0.732	S	S	*	*			cis	-137.4	-161.4	7.3	-143.2	-42	0	0	0	113.8
246	K	31.8	Very low	30.1	Very low	152 Å²	152	139.6 Å²	139.6	66%	0.661	73%	0.726	S	S	*	*			trans	-124.9	163	-164.6	-78.3	-175.9	164.1	-70.5	0	113
247	E	32.9	Very low	30.3	Very low	135 Å²	135	140.1 Å²	140.1	63%	0.631	73%	0.728	S	S	*	*			cis	-174.5	122.9	-25.2	-113.1	167.4	-175.1	0	0	111.4
248	T	23.1	Very low	30.3	Very low	129 Å²	129	139.2 Å²	139.2	79%	0.791	72%	0.724	S	S	*	*			trans	55	-179.6	143.7	55	0	0	0	0	121.7
249	P	46.5	Very low	30.4	Very low	106 Å²	106	139.4 Å²	139.4	69%	0.688	72%	0.716	S	S	*	*			cis	-134.3	163.3	-13.2	17.7	8	0	0	0	118.9
250	K	24.7	Very low	30.8	Very low	185 Å²	185	140.9 Å²	140.9	80%	0.804	71%	0.712	S	S	*	*			trans	77.6	142.3	139.1	-80.9	176.6	178.5	-178.2	0	125.2
251	Q	27.9	Very low	31.1	Very low	161 Å²	161	142.9 Å²	142.9	75%	0.752	71%	0.712	S	S	*	*			trans	69	158.5	149.8	-73.1	-177.5	-68	0	0	120.4
252	Q	26.7	Very low	30.9	Very low	145 Å²	145	142.1 Å²	142.1	68%	0.678	71%	0.708	S	S	*	*			cis	-166.9	145.9	-37.6	-153.1	-179.9	-50	0	0	111.8
253	D	26.1	Very low	31	Very low	114 Å²	114	141.9 Å²	141.9	61%	0.61	71%	0.706	S	S	*	*			trans	69.8	143	151.3	-96.6	-56.6	0	0	0	126
254	Q	29.2	Very low	30.6	Very low	147 Å²	147	141.3 Å²	141.3	69%	0.687	70%	0.704	S	S	*	*			trans	62.9	152	152.4	-68.5	-174.8	81.8	0	0	120.2
255	K	29.1	Very low	30.3	Very low	168 Å²	168	139.9 Å²	139.9	73%	0.73	70%	0.695	S	S	*	*			cis	172	166.5	-7	-108	-173.7	-177.7	162.7	0	105.6
256	V	29.1	Very low	30.3	Very low	123 Å²	123	141 Å²	141	75%	0.745	70%	0.696	S	S	*	*			cis	-166.3	-172.8	-15.8	79.2	0	0	0	0	108.7
257	V	30.5	Very low	30.1	Very low	124 Å²	124	141 Å²	141	75%	0.752	70%	0.702	S	S	*	*			trans	80.7	131.5	178.8	-178.6	0	0	0	0	113.9
258	K	30.6	Very low	29.7	Very low	184 Å²	184	141 Å²	141	80%	0.8	71%	0.706	S	S	*	*			cis	-167.5	174.4	-12.6	-105.6	-167.7	175.1	-172.9	0	106.6
259	L	32.8	Very low	30	Very low	112 Å²	112	140 Å²	140	59%	0.586	70%	0.699	S	S	*	*			cis	177	141	-30.6	172	65.4	0	0	0	110
260	Q	33.2	Very low	29.2	Very low	150 Å²	150	143.2 Å²	143.2	70%	0.701	71%	0.705	S	S	*	*			trans	68.6	150.4	166.1	-76.8	156.8	-11.1	0	0	118
261	Q	29.3	Very low	29.6	Very low	175 Å²	175	141.5 Å²	141.5	82%	0.818	70%	0.7	S	S	*	*			cis	-149.1	159.2	7.6	-141.9	153.1	0.5	0	0	113.8
262	E	25.9	Very low	29.6	Very low	148 Å²	148	140 Å²	140	69%	0.692	70%	0.697	S	S	*	*			trans	-84.9	-177.9	167.9	-113.4	-166.2	129.7	0	0	111.3	K265	E262-K265 IonicContact OE1-NZ 2.81Å; E262-K265 PolarHBondContact OE1-NZ 3.21Å
263	P	42.5	Very low	29.8	Very low	100 Å²	100	141.8 Å²	141.8	65%	0.649	71%	0.706	S	S	*	*			cis	-120.8	-152	-0.4	37.6	-17.2	0	0	0	111.8
264	E	26.3	Very low	30	Very low	130 Å²	130	142.5 Å²	142.5	61%	0.607	71%	0.71	S	S	*	*			cis	-155.3	141.8	-0.1	-152.8	55.3	-69.7	0	0	106.6
265	K	29	Very low	30	Very low	117 Å²	117	145.9 Å²	145.9	51%	0.509	72%	0.716	S	S	.	*				50.6	144.4	72.8	-42.1	-174.8	-159.3	83.1	0	115.6	E262	E262-K265 IonicContact OE1-NZ 2.81Å; E262-K265 PolarHBondContact OE1-NZ 3.21Å
266	Q	29.5	Very low	29.9	Very low	155 Å²	155	143.3 Å²	143.3	72%	0.724	71%	0.714	S	S	*	*			cis	-149.7	152.2	6.1	-120.4	135.4	-8.4	0	0	108.3
267	I	26.7	Very low	30	Very low	152 Å²	152	146.1 Å²	146.1	78%	0.779	72%	0.717	S	S	*	*			cis	75.1	135.1	42.5	-67.2	167.6	0	0	0	112.2
268	N	25.8	Very low	30	Very low	135 Å²	135	148.3 Å²	148.3	72%	0.722	72%	0.719	S	S	*	*			cis	-177.3	-170.7	-9.9	-178.8	36	0	0	0	109.6
269	V	29.3	Very low	29.8	Very low	108 Å²	108	150.4 Å²	150.4	66%	0.655	72%	0.722	S	S	*	*			trans	83.4	123.3	161.7	-165.2	0	0	0	0	114.3
270	E	29.9	Very low	29.7	Very low	174 Å²	174	151.4 Å²	151.4	81%	0.813	73%	0.733	S	S	*	*				68.1	149	64.3	-82.2	179	131.4	0	0	114
271	E	31.8	Very low	29.6	Very low	149 Å²	149	153.8 Å²	153.8	70%	0.696	74%	0.741	S	S	*	*			cis	-157.3	158.6	22.9	-156.5	-159.8	116.8	0	0	111.9
272	N	28.9	Very low	29.5	Very low	129 Å²	129	155.5 Å²	155.5	69%	0.69	75%	0.746	S	S	*	*			trans	39.6	154.3	152.5	-83.3	-41.4	0	0	0	122.8
273	Q	31	Very low	29.7	Very low	184 Å²	184	155.3 Å²	155.3	86%	0.86	75%	0.75	S	S	*	*			cis	-159.6	-157.8	32.2	-145.4	168	59.9	0	0	114
274	D	28.9	Very low	29.8	Very low	129 Å²	129	156.1 Å²	156.1	69%	0.69	76%	0.755	S	S	*	*			trans	-127.2	141.9	-152	167.5	37.8	0	0	0	114.8
275	R	29.8	Very low	30	Very low	218 Å²	218	156.1 Å²	156.1	82%	0.823	76%	0.764	S	S	*	*			trans	161.1	119.6	133.6	-91.3	176	171.8	-161.4	-2.1	121.1
276	T	27.2	Very low	30.1	Very low	113 Å²	113	157.2 Å²	157.2	69%	0.693	78%	0.775	S	S	*	*			trans	39.7	132	133.6	58.1	0	0	0	0	126.6
277	K	31.4	Very low	30.3	Very low	182 Å²	182	161.1 Å²	161.1	79%	0.791	78%	0.783	S	S	*	*			trans	112.4	112.9	130.7	-85.6	168.8	-179.6	-179.9	0	122.9
278	Q	30.4	Very low	30.4	Very low	171 Å²	171	161.2 Å²	161.2	80%	0.799	79%	0.785	S	S	*	*			trans	74.2	111.1	130.6	-74.2	-171	-15.2	0	0	124.9
279	R	26.1	Very low	30.5	Very low	228 Å²	228	161.5 Å²	161.5	86%	0.86	79%	0.786	S	S	*	*				81.8	104.5	114.9	-167.8	-161	-168.3	-174	4.2	122
280	T	30.5	Very low	30.7	Very low	133 Å²	133	162.1 Å²	162.1	82%	0.816	79%	0.79	S	S	*	*				-159.7	130.3	126.9	20.9	0	0	0	0	107.3
281	K	31.4	Very low	30.7	Very low	199 Å²	199	157.9 Å²	157.9	87%	0.865	79%	0.785	S	S	*	*				62.2	100	76.6	-131.9	-154.9	-174.4	-151.5	0	114.2
282	F	28	Very low	30.6	Very low	211 Å²	211	158 Å²	158	93%	0.925	79%	0.79	S	S	*	*			trans	-150.7	159.4	146.3	-133.5	-94	0	0	0	109
283	D	30	Very low	30.8	Very low	145 Å²	145	159.9 Å²	159.9	78%	0.775	80%	0.795	S	S	*	*			trans	-135.6	150.9	-173.1	-148.8	32.5	0	0	0	108.7
284	P	43.9	Very low	30.7	Very low	116 Å²	116	160 Å²	160	75%	0.753	80%	0.795	S	S	*	*			trans	-101	117.6	-159	35.5	-31.7	0	0	0	115.4
285	T	30.4	Very low	30.7	Very low	131 Å²	131	162.8 Å²	162.8	80%	0.804	80%	0.804	S	S	*	*			trans	-147.4	109.2	151.4	-60.7	0	0	0	0	109.1
286	D	30.9	Very low	30.4	Very low	139 Å²	139	161.3 Å²	161.3	74%	0.743	81%	0.807	S	S	*	*			trans	170.3	129.4	158.8	-88.7	-23.4	0	0	0	103.9
287	W	32.8	Very low	30.5	Very low	237 Å²	237	161.8 Å²	161.8	90%	0.898	81%	0.809	S	S	*	*			cis	-131.7	140.8	25.9	-69.1	67.7	0	0	0	112.7
288	L	30.3	Very low	30.5	Very low	154 Å²	154	158.8 Å²	158.8	81%	0.806	81%	0.809	S	S	*	*			trans	-94	167.7	143.5	-64.1	159.5	0	0	0	106.1
289	D	28.5	Very low	30.3	Very low	141 Å²	141	162.1 Å²	162.1	75%	0.754	81%	0.814	S	S	*	*			cis	-158.3	-164.3	13.8	-157	-14.2	0	0	0	108.5
290	V	32.8	Very low	30.5	Very low	122 Å²	122	157 Å²	157	74%	0.739	81%	0.81	S	S	*	*			trans	77.3	110.3	166.2	-171.8	0	0	0	0	113
291	A	29.7	Very low	30.3	Very low	84 Å²	84	156.2 Å²	156.2	69%	0.694	81%	0.81	S	S	*	*			cis	67.8	143.9	47.5	0	0	0	0	0	112.8
292	D	29.6	Very low	30.2	Very low	151 Å²	151	152.6 Å²	152.6	81%	0.807	81%	0.81	S	S	*	*			cis	-145.5	-145	-9.1	-144.2	-43.6	0	0	0	107
293	E	33.2	Very low	30.4	Very low	169 Å²	169	146.2 Å²	146.2	79%	0.79	79%	0.792	S	S	*	*			trans	102	152.7	165.3	-60.3	-66.8	151.1	0	0	118
294	E	29.7	Very low	30.8	Very low	187 Å²	187	145.5 Å²	145.5	87%	0.874	80%	0.795	S	S	*	*			trans	-102.4	-160	-144.6	-56.2	-166	123.3	0	0	117
295	E	27.6	Very low	30.5	Very low	187 Å²	187	147 Å²	147	87%	0.874	79%	0.792	S	S	*	*			trans	-65.9	145.3	-169.2	-51.9	-172.1	132.7	0	0	115.1
296	E	24	Very low	31	Very low	187 Å²	187	148.5 Å²	148.5	87%	0.874	79%	0.794	S	S	*	*			trans	-145.9	139	132.2	-153.1	177.7	-163.5	0	0	111.9
297	T	30.2	Very low	31.4	Very low	123 Å²	123	148.6 Å²	148.6	76%	0.755	79%	0.794	S	S	*	*			trans	-87.8	142.7	177.9	61.8	0	0	0	0	112.6
298	P	30.3	Very low	32	Very low	119 Å²	119	142.8 Å²	142.8	77%	0.773	78%	0.784	S	S	*	*			trans	-124	124.1	148.8	34.1	-23.9	0	0	0	112.7
299	R	27.4	Very low	32.7	Very low	242 Å²	242	144.4 Å²	144.4	91%	0.913	79%	0.787	S	S	*	*			trans	-76.3	149.8	149.2	-70.6	-177	175.6	-178.5	-0.1	108
300	P	29.5	Very low	33.7	Very low	121 Å²	121	142.4 Å²	142.4	79%	0.786	78%	0.78	S	S	*	*				-140.2	171.6	105.8	37.2	-25.2	0	0	0	115
301	S	25.5	Very low	34.5	Very low	115 Å²	115	143.1 Å²	143.1	80%	0.804	78%	0.776	S	S	*	*			trans	-69.5	152.8	179.5	51.5	0	0	0	0	115.6
302	S	29.6	Very low	35.4	Very low	123 Å²	123	142.9 Å²	142.9	86%	0.86	78%	0.781	S	S	*	*			trans	-151.6	151.5	132.6	49.7	0	0	0	0	111.6
303	S	32.8	Very low	36.4	Very low	78 Å²	78	142.5 Å²	142.5	55%	0.545	78%	0.778	S	S	.	*			trans	-85.4	160.2	-174.7	41.9	0	0	0	0	112.9	E305	S303-E305 PolarHBondContact O-N 2.82Å; S303-E305 PolarHBondContact OG-OE2 3.34Å
304	P	38.7	Very low	37	Very low	130 Å²	130	141.2 Å²	141.2	84%	0.844	78%	0.782	S	S	*	*	S	Bend	trans	-77.5	58.4	178.7	34.1	-37.5	0	0	0	112.7
305	E	36.9	Very low	38.1	Very low	147 Å²	147	141 Å²	141	69%	0.687	78%	0.778	S	S	*	*			trans	-112.7	14.9	-167.3	-154.1	153.8	-159.8	0	0	114.2	S303	S303-E305 PolarHBondContact O-N 2.82Å; S303-E305 PolarHBondContact OG-OE2 3.34Å
306	L	40.1	Very low	38.8	Very low	162 Å²	162	141.4 Å²	141.4	85%	0.848	78%	0.78	S	S	*	*	S	Bend	trans	-117.3	26	176	-71.3	177.2	0	0	0	114.3
307	L	39.8	Very low	39.5	Very low	142 Å²	142	140.2 Å²	140.2	74%	0.743	78%	0.778	S	S	*	*	S	Bend	trans	-127.3	-3.4	172.8	-73.7	176.4	0	0	0	115
308	V	46.8	Very low	40	Very low	114 Å²	114	142.7 Å²	142.7	69%	0.691	78%	0.779	S	S	*	*	S	Bend	trans	-83.1	-33.6	-179.2	-178.2	0	0	0	0	112.2	T310	V308-T310 VanDerWaalsContact C-N 3.34Å; V308-T310 PolarHBondContact O-N 3.01Å
309	E	44.9	Very low	40.4	Very low	188 Å²	188	144.2 Å²	144.2	88%	0.879	78%	0.779	S	S	*	*	S	Bend	trans	-77.3	-12.5	-168.3	-159.8	171.3	-152.6	0	0	114.9
310	T	49.3	Very low	40.9	Very low	99 Å²	99	138.4 Å²	138.4	61%	0.607	77%	0.765	S	S	*	*	S	Bend	trans	-102.4	-21.5	-176.5	54.5	0	0	0	0	114.9	V308	V308-T310 VanDerWaalsContact C-N 3.34Å; V308-T310 PolarHBondContact O-N 3.01Å
311	H	49.7	Very low	41.1	Very low	138 Å²	138	140.6 Å²	140.6	64%	0.639	77%	0.769	S	S	*	*			trans	-141.8	84.5	-171.3	-65.6	86.9	0	0	0	111.4	I313	H311-I313 PolarHBondContact O-N 3.37Å
312	G	47.9	Very low	41.4	Very low	79 Å²	79	139.8 Å²	139.8	81%	0.814	76%	0.763	S	S	*	*			trans	-67.2	82.1	-178.1	0	0	0	0	0	114.4
313	I	49.6	Very low	41.5	Very low	142 Å²	142	145.8 Å²	145.8	73%	0.728	77%	0.767	S	S	*	*			trans	-113.1	80.4	179.6	-54.5	176.1	0	0	0	109.6	H311 K315	H311-I313 PolarHBondContact O-N 3.37Å; I313-K315 PolarHBondContact O-N 2.71Å
314	T	47.5	Very low	41.5	Very low	143 Å²	143	148.1 Å²	148.1	88%	0.877	78%	0.778	S	S	*	*			trans	-81.8	46.5	-173.6	47	0	0	0	0	114.4
315	K	52.7	Low	41.3	Very low	182 Å²	182	147.9 Å²	147.9	79%	0.791	78%	0.777	S	S	*	*			trans	-143.8	104	172.6	-66.9	-170.3	179.4	-178.2	0	112.1	I313	I313-K315 PolarHBondContact O-N 2.71Å
316	Q	41.7	Very low	41	Very low	196 Å²	196	146 Å²	146	92%	0.916	78%	0.78	S	S	*	*			trans	-75.3	125.9	168.8	-68.8	-172.7	1.2	0	0	110.7
317	L	39.2	Very low	40.7	Very low	161 Å²	161	144.4 Å²	144.4	84%	0.843	78%	0.779	S	S	*	*			trans	-93.1	96.1	170.5	-72.7	173.2	0	0	0	109.9	I319	L317-I319 PolarHBondContact O-N 3.32Å
318	K	40	Very low	40.4	Very low	175 Å²	175	146.9 Å²	146.9	76%	0.761	78%	0.784	S	S	*	*			trans	-79.5	95.2	175.4	-171.8	179.4	-180	176.8	0	110.3	I320	K318-I320 HydrophobicContact CD-CD1 4.13Å; K318-I320 HydrophobicContact CD-CG1 4.24Å; K318-I320 HydrophobicContact CG-CD1 4.38Å; K318-I320 HydrophobicContact CG-CG1 3.98Å; K318-I320 PolarHBondContact O-N 3.27Å
319	I	38.9	Very low	39.9	Very low	152 Å²	152	147.6 Å²	147.6	78%	0.779	79%	0.791	S	S	*	*			trans	-72	110.1	172.5	-59.5	177.2	0	0	0	108.6	L317	L317-I319 PolarHBondContact O-N 3.32Å
320	I	38.7	Very low	39.1	Very low	119 Å²	119	143.4 Å²	143.4	61%	0.61	79%	0.789	S	S	*	*			trans	-104.2	112.6	172.4	-56.6	179.9	0	0	0	107.8	K318 S322	K318-I320 HydrophobicContact CD-CD1 4.13Å; K318-I320 HydrophobicContact CD-CG1 4.24Å; K318-I320 HydrophobicContact CG-CD1 4.38Å; K318-I320 HydrophobicContact CG-CG1 3.98Å; K318-I320 PolarHBondContact O-N 3.27Å; I320-S322 PolarHBondContact O-N 3Å
321	L	32.8	Very low	38.2	Very low	167 Å²	167	145.3 Å²	145.3	87%	0.874	80%	0.8	S	S	*	*			trans	-82.1	88.4	173	-77.7	167.4	0	0	0	110.2	R323	L321-R323 PolarHBondContact O-N 3.2Å
322	S	31.8	Very low	37.3	Very low	99 Å²	99	144.3 Å²	144.3	69%	0.692	81%	0.809	S	S	*	*			trans	-74.6	117.2	168.9	42.2	0	0	0	0	110.8	I320 T324	I320-S322 PolarHBondContact O-N 3Å; S322-T324 PolarHBondContact O-N 3.32Å
323	R	30.9	Very low	36.5	Very low	248 Å²	248	146.4 Å²	146.4	94%	0.936	81%	0.811	S	S	*	*			trans	-70	111.3	167.7	-91.6	-179	165.1	173.3	-4.2	109.5	L321	L321-R323 PolarHBondContact O-N 3.2Å
324	T	32.8	Very low	35.7	Very low	127 Å²	127	144.7 Å²	144.7	78%	0.779	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-84.1	125.2	162.3	43.3	0	0	0	0	109.7	S322	S322-T324 PolarHBondContact O-N 3.32Å
325	P	35	Very low	35	Very low	125 Å²	125	142.6 Å²	142.6	81%	0.812	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-75.5	138.3	173.4	30.4	-32.9	0	0	0	110.3
326	S	30.8	Very low	34	Very low	109 Å²	109	139.3 Å²	139.3	76%	0.762	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-84.8	143.2	173.1	52	0	0	0	0	111.4
327	P	35	Very low	33.6	Very low	128 Å²	128	136.7 Å²	136.7	83%	0.831	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-74.5	138.4	180	30.1	-34.4	0	0	0	111.7
328	K	32.3	Very low	33.3	Very low	194 Å²	194	135.6 Å²	135.6	84%	0.843	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-100.9	152	161	-81.4	-176.8	177.2	179.4	0	109.5
329	P	37.4	Very low	33	Very low	128 Å²	128	134.9 Å²	134.9	83%	0.831	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67.6	150.4	-177.8	29	-35.8	0	0	0	111.8
330	A	27.9	Very low	32.8	Very low	101 Å²	101	135 Å²	135	84%	0.835	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-82.3	143.8	179.9	0	0	0	0	0	112.5
331	T	29.7	Very low	32.5	Very low	138 Å²	138	137.8 Å²	137.8	85%	0.847	80%	0.802	S	S	*	*			trans	-123.4	143.1	151.9	-59.2	0	0	0	0	106.9
332	S	31.7	Very low	32.6	Very low	117 Å²	117	134.7 Å²	134.7	82%	0.818	80%	0.801	S	S	*	*			trans	-71.3	138.6	-168.1	52.3	0	0	0	0	115
333	S	31.2	Very low	32.5	Very low	124 Å²	124	137.6 Å²	137.6	87%	0.867	81%	0.809	S	S	*	*			trans	-129.9	158.3	147.6	58.9	0	0	0	0	109
334	S	31.7	Very low	32.5	Very low	106 Å²	106	129 Å²	129	74%	0.741	80%	0.798	S	S	*	*			trans	-129.4	157.1	-174.3	57.3	0	0	0	0	112.3
335	S	32.5	Very low	32.4	Very low	99 Å²	99	126 Å²	126	69%	0.692	79%	0.792	S	S	*	*			trans	65	130.9	159.1	51.1	0	0	0	0	120.2
336	S	31.9	Very low	32.3	Very low	112 Å²	112	125.8 Å²	125.8	78%	0.783	79%	0.793	S	S	*	*			trans	63.5	150.8	148.2	48.4	0	0	0	0	120
337	L	34.1	Very low	32.3	Very low	142 Å²	142	127.8 Å²	127.8	74%	0.743	79%	0.791	S	S	*	*			cis	-169.2	159.7	-27.5	-160.6	74.5	0	0	0	106.1
338	D	32.6	Very low	32.8	Very low	137 Å²	137	127.2 Å²	127.2	73%	0.733	79%	0.787	S	S	*	*			trans	59.6	178.1	166.1	-57.5	-22.2	0	0	0	116.8
339	E	33.3	Very low	32.7	Very low	160 Å²	160	122 Å²	122	75%	0.748	77%	0.772	S	S	*	*				-149.5	174.4	-66.2	-154.6	-170.2	107.8	0	0	108.2
340	L	35.1	Very low	32.2	Very low	154 Å²	154	124.8 Å²	124.8	81%	0.806	77%	0.771	S	S	*	*			trans	79.2	163.2	166.5	-58.1	175.6	0	0	0	119.3
341	M	32.9	Very low	32.3	Very low	178 Å²	178	126.3 Å²	126.3	88%	0.877	77%	0.765	S	S	*	*			trans	-105.2	178.5	-160.1	-63.3	-86.1	-163.7	0	0	112.7
342	A	35	Very low	32.5	Very low	102 Å²	102	128.3 Å²	128.3	84%	0.843	77%	0.765	S	S	*	*			trans	71.6	157	158.5	0	0	0	0	0	116.5
343	D	29.8	Very low	32.3	Very low	160 Å²	160	126.4 Å²	126.4	86%	0.856	76%	0.764	S	S	*	*			cis	-162.9	158.5	-22.4	172.7	43.5	0	0	0	108.4
344	G	30.9	Very low	32.4	Very low	69 Å²	69	128.1 Å²	128.1	71%	0.711	76%	0.763	S	S	*	*			trans	70.6	164.2	174	0	0	0	0	0	116.5
345	G	30.6	Very low	32.4	Very low	64 Å²	64	131.3 Å²	131.3	66%	0.66	77%	0.77	S	S	*	*			cis	158.1	128.1	-9.4	0	0	0	0	0	112.5
346	S	33.2	Very low	32.5	Very low	119 Å²	119	133.7 Å²	133.7	83%	0.832	78%	0.775	S	S	*	*			trans	62.8	146.7	178.5	37.8	0	0	0	0	115.6
347	E	30.1	Very low	33.2	Very low	151 Å²	151	133.2 Å²	133.2	71%	0.706	77%	0.769	S	S	*	*			cis	60.9	149.5	49.5	-74.2	-72.5	137.8	0	0	113.2	T349	E347-T349 PolarHBondContact OE2-OG1 2.64Å
348	P	45.7	Very low	32.9	Very low	116 Å²	116	131.1 Å²	131.1	75%	0.753	77%	0.767	S	S	*	*			cis	-104.1	175.2	-5	9.7	15.4	0	0	0	112
349	T	28.9	Very low	32.9	Very low	85 Å²	85	133.8 Å²	133.8	52%	0.521	77%	0.772	S	S	.	*			cis	98.8	125.5	23.6	-57.3	0	0	0	0	114.4	E347	E347-T349 PolarHBondContact OE2-OG1 2.64Å
350	F	28.3	Very low	32.8	Very low	186 Å²	186	130.8 Å²	130.8	82%	0.816	77%	0.774	S	S	*	*			trans	66.1	155.1	178.2	-72.8	-56.8	0	0	0	117.8
351	D	28.9	Very low	32.6	Very low	133 Å²	133	129.3 Å²	129.3	71%	0.711	78%	0.777	S	S	*	*			cis	-148.8	-178.8	-4.5	-140.9	-25.8	0	0	0	114.2
352	Q	33.5	Very low	32.5	Very low	180 Å²	180	124.6 Å²	124.6	84%	0.841	77%	0.774	S	S	*	*			trans	-45.1	143.3	173.6	-144.8	83.4	-44.4	0	0	116.8
353	G	28.5	Very low	32.4	Very low	77 Å²	77	124 Å²	124	79%	0.794	77%	0.769	S	S	*	*			trans	-173.4	107.6	167.2	0	0	0	0	0	115.4
354	N	34.1	Very low	32.5	Very low	161 Å²	161	123.1 Å²	123.1	86%	0.861	77%	0.769	S	S	*	*			trans	-78.6	144.3	167.1	-89.2	-56.1	0	0	0	110.9
355	I	30.5	Very low	32.4	Very low	173 Å²	173	130.2 Å²	130.2	89%	0.887	78%	0.776	S	S	*	*			trans	-174.6	144.6	133.1	-95.2	149.5	0	0	0	110.1
356	N	35.1	Very low	33.7	Very low	149 Å²	149	131.9 Å²	131.9	80%	0.797	78%	0.775	S	S	*	*			trans	-133.4	137.2	173.9	-169.7	27.4	0	0	0	104.4
357	P	46	Very low	33.8	Very low	101 Å²	101	133.4 Å²	133.4	66%	0.656	77%	0.772	S	S	*	*				-159.7	163.6	78.2	42.6	-22.2	0	0	0	119.1
358	S	28.8	Very low	34.1	Very low	99 Å²	99	135.4 Å²	135.4	69%	0.692	78%	0.779	S	S	*	*			trans	72.8	163.7	144.6	88.1	0	0	0	0	118
359	K	31.8	Very low	33.3	Very low	193 Å²	193	134.6 Å²	134.6	84%	0.839	77%	0.768	S	S	*	*			cis	-165.3	149.3	-8.9	-133.2	173.4	-175.7	179.4	0	110.2
360	A	30.7	Very low	33.6	Very low	97 Å²	97	135.9 Å²	135.9	80%	0.802	78%	0.781	S	S	*	*			trans	62	168.6	153.7	0	0	0	0	0	117.2
361	S	30.9	Very low	33.8	Very low	122 Å²	122	133.7 Å²	133.7	85%	0.853	78%	0.777	S	S	*	*			cis	-156.5	157.3	-23.4	-164.9	0	0	0	0	108.7
362	G	30.4	Very low	34.2	Very low	80 Å²	80	131.4 Å²	131.4	83%	0.825	77%	0.771	S	S	*	*			trans	175.3	98.6	171.6	0	0	0	0	0	112.3
363	A	32.8	Very low	34.2	Very low	88 Å²	88	131.7 Å²	131.7	73%	0.727	77%	0.77	S	S	*	*			trans	-124.9	138.1	-171.8	0	0	0	0	0	112.6
364	V	32.8	Very low	34.5	Very low	142 Å²	142	139.3 Å²	139.3	86%	0.861	78%	0.775	S	S	*	*			trans	-141.2	133.9	161	-174.9	0	0	0	0	109.2
365	Y	28.8	Very low	34.6	Very low	218 Å²	218	138.9 Å²	138.9	86%	0.855	77%	0.771	S	S	*	*			trans	-156.6	177	176.5	-87.8	-67.8	0	0	0	105.9
366	P	58.2	Low	34.8	Very low	99 Å²	99	135.6 Å²	135.6	64%	0.643	76%	0.764	S	S	*	*			cis	-117.5	-175.8	-2.1	26.9	-3.6	0	0	0	111.9
367	I	34.8	Very low	34.6	Very low	152 Å²	152	132.8 Å²	132.8	78%	0.779	76%	0.761	S	S	*	*				-178.2	134.2	88.2	-86.2	166.1	0	0	0	105.9
368	F	37	Very low	33.8	Very low	192 Å²	192	132.9 Å²	132.9	84%	0.842	77%	0.77	S	S	*	*			cis	-144.4	-173.9	-2.6	-155.5	-110.2	0	0	0	110.5
369	D	28.3	Very low	34.2	Very low	99 Å²	99	135.9 Å²	135.9	53%	0.529	78%	0.778	S	S	.	*			trans	-106.3	158.8	-178.3	178.1	57.8	0	0	0	114.3	L371	D369-L371 WeakPolarHBondContact OD2-CD1 3.36Å; D369-L371 WeakPolarHBondContact OD2-CG 3.35Å; D369-L371 PolarHBondContact OD2-N 2.74Å
370	S	36.3	Very low	34.1	Very low	112 Å²	112	138.5 Å²	138.5	78%	0.783	78%	0.782	S	S	*	*			trans	-148.2	121.4	141.6	-77.7	0	0	0	0	110.9
371	L	32.7	Very low	34.1	Very low	141 Å²	141	139.1 Å²	139.1	74%	0.738	78%	0.781	S	S	*	*			trans	-58.4	167.8	169.8	-33.3	85.1	0	0	0	111.2	D369	D369-L371 WeakPolarHBondContact OD2-CD1 3.36Å; D369-L371 WeakPolarHBondContact OD2-CG 3.35Å; D369-L371 PolarHBondContact OD2-N 2.74Å
372	S	35.8	Very low	34.7	Very low	84 Å²	84	138.7 Å²	138.7	59%	0.587	78%	0.775	S	S	*	*			cis	-170.7	173.4	26.5	-127.5	0	0	0	0	107.8
373	K	34.7	Very low	34.7	Very low	187 Å²	187	140.7 Å²	140.7	81%	0.813	77%	0.771	S	S	*	*			cis	-161.8	177.8	3.3	-137.8	153	-159.7	163	0	109.3
374	R	34.7	Very low	34.6	Very low	237 Å²	237	141.4 Å²	141.4	89%	0.894	77%	0.77	S	S	*	*			trans	-146.8	148.6	163.8	-127.4	-173.9	-170.9	-171	4.8	109.6
375	L	35.2	Very low	34.2	Very low	152 Å²	152	140 Å²	140	80%	0.796	77%	0.766	S	S	*	*			trans	-139.6	131.9	161.1	-64	172.9	0	0	0	105.5
376	S	34.3	Very low	34.3	Very low	104 Å²	104	134.5 Å²	134.5	73%	0.727	76%	0.759	S	S	*	*			cis	69.3	138.1	37.9	83.7	0	0	0	0	113.3
377	A	31	Very low	33.2	Very low	89 Å²	89	135.7 Å²	135.7	74%	0.736	77%	0.765	S	S	*	*			cis	-146.2	148.5	13.2	0	0	0	0	0	110.7
378	A	31	Very low	33.6	Very low	103 Å²	103	134.2 Å²	134.2	85%	0.851	77%	0.765	S	S	*	*				88.6	165.1	96.4	0	0	0	0	0	115.9
379	L	35.6	Very low	33.3	Very low	162 Å²	162	130.6 Å²	130.6	85%	0.848	76%	0.764	S	S	*	*			trans	-105.1	142.3	-161.1	-62.8	161.5	0	0	0	113.5
380	R	30.9	Very low	33.4	Very low	249 Å²	249	129.9 Å²	129.9	94%	0.94	77%	0.771	S	S	*	*				172.6	158.5	120.6	-92.5	157.9	-176.7	157.6	0.6	113.4
381	S	30	Very low	33.2	Very low	109 Å²	109	130.3 Å²	130.3	76%	0.762	77%	0.774	S	S	*	*			trans	-88.2	179.3	168.4	56.6	0	0	0	0	109.9
382	P	44.3	Very low	33.1	Very low	113 Å²	113	128.8 Å²	128.8	73%	0.734	78%	0.775	S	S	*	*			cis	-152	-165.6	28.3	40	-14.3	0	0	0	118.5
383	V	30	Very low	32.9	Very low	122 Å²	122	129.5 Å²	129.5	74%	0.739	79%	0.786	S	S	*	*			trans	77.3	100.6	160	-175	0	0	0	0	120.5
384	S	29.7	Very low	32.7	Very low	103 Å²	103	125.1 Å²	125.1	72%	0.72	79%	0.785	S	S	*	*				47.3	139.1	122.1	-45.1	0	0	0	0	125.9
385	C	26.1	Very low	32.5	Very low	114 Å²	114	118.9 Å²	118.9	77%	0.77	78%	0.778	S	S	*	*			trans	81.9	104.4	142	-69.2	0	0	0	0	123.2
386	S	29	Very low	32.4	Very low	102 Å²	102	119.3 Å²	119.3	71%	0.713	78%	0.78	S	S	*	*				69.4	107.7	118.1	-51.6	0	0	0	0	123.4
387	T	36.1	Very low	32.5	Very low	124 Å²	124	122.5 Å²	122.5	76%	0.761	78%	0.784	S	S	*	*			trans	43.7	129.4	130.6	59.5	0	0	0	0	121.8
388	P	42.8	Very low	32.8	Very low	121 Å²	121	124.1 Å²	124.1	79%	0.786	79%	0.787	S	S	*	*				-110.9	161.4	98.9	-12.8	32	0	0	0	112
389	S	30.7	Very low	33.1	Very low	116 Å²	116	125.1 Å²	125.1	81%	0.811	79%	0.785	S	S	*	*			cis	67.9	127.9	41.9	-63.1	0	0	0	0	114.3
390	A	31.1	Very low	33.1	Very low	83 Å²	83	122.7 Å²	122.7	69%	0.686	79%	0.788	S	S	*	*			cis	-164.2	174	-6	0	0	0	0	0	111.1
391	S	31.5	Very low	33.3	Very low	121 Å²	121	115.7 Å²	115.7	85%	0.846	78%	0.783	S	S	*	*			trans	66.9	151.9	167.7	20.1	0	0	0	0	117.8
392	S	31.4	Very low	33.5	Very low	109 Å²	109	115.1 Å²	115.1	76%	0.762	79%	0.785	S	S	*	*			cis	-165.5	149.9	-6.8	43.4	0	0	0	0	113.8
393	A	30.6	Very low	33.2	Very low	99 Å²	99	114.6 Å²	114.6	82%	0.818	79%	0.79	S	S	*	*			trans	73.4	150.1	148.1	0	0	0	0	0	122.9
394	A	32	Very low	33.6	Very low	96 Å²	96	118.5 Å²	118.5	79%	0.793	80%	0.797	S	S	*	*			trans	70.7	91.8	153.5	0	0	0	0	0	122
395	S	30.3	Very low	33.9	Very low	106 Å²	106	121 Å²	121	74%	0.741	80%	0.798	S	S	*	*				34.3	119.4	122.9	179.4	0	0	0	0	121.2
396	L	31.9	Very low	34.6	Very low	160 Å²	160	126.3 Å²	126.3	84%	0.838	80%	0.801	S	S	*	*				-172.3	-179.8	111.2	-99	170.3	0	0	0	112.4
397	Q	37	Very low	35.2	Very low	171 Å²	171	129 Å²	129	80%	0.799	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-64.9	152.9	-163.7	-62.8	167.9	-29.2	0	0	116.6
398	P	36.5	Very low	35.5	Very low	123 Å²	123	128.9 Å²	128.9	80%	0.799	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-87.4	137.3	169.4	34.4	-32.5	0	0	0	113.1
399	P	38.2	Very low	35.6	Very low	125 Å²	125	134.9 Å²	134.9	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-82.1	164.3	168.4	34.1	-34.2	0	0	0	112.4
400	A	34.7	Very low	36.4	Very low	110 Å²	110	140.9 Å²	140.9	91%	0.909	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-75.9	150.4	-175.8	0	0	0	0	0	114.2
401	A	34.8	Very low	37	Very low	102 Å²	102	146.4 Å²	146.4	84%	0.843	82%	0.822	S	S	*	*			trans	-125.3	138.1	167	0	0	0	0	0	110
402	A	35.7	Very low	37.7	Very low	97 Å²	97	150.1 Å²	150.1	80%	0.802	82%	0.823	S	S	*	*			trans	-76.6	140.6	-165.5	0	0	0	0	0	114.2	K404	A402-K404 PolarHBondContact O-N 3.2Å
403	A	36.9	Very low	38.8	Very low	102 Å²	102	152.6 Å²	152.6	84%	0.843	82%	0.823	S	S	*	*			trans	-68.7	127	168	0	0	0	0	0	110.8
404	K	39	Very low	39.7	Very low	204 Å²	204	157.5 Å²	157.5	89%	0.887	83%	0.826	S	S	*	*			trans	-111.7	94.3	161.7	-78.1	-170.9	174.5	-179	0	109.1	A402 R406	A402-K404 PolarHBondContact O-N 3.2Å; K404-R406 PolarHBondContact O-N 2.8Å
405	E	35.3	Very low	40.8	Very low	156 Å²	156	160.1 Å²	160.1	73%	0.729	83%	0.825	S	S	*	*			trans	-61.9	116.1	175.2	-173.2	-168.9	140.5	0	0	110.2	Q407	E405-Q407 HydrophobicContact CG-CG 4.29Å; E405-Q407 WeakPolarHBondContact OE1-CG 3.35Å; E405-Q407 PolarHBondContact OE1-NE2 2.89Å
406	R	40.3	Very low	41.9	Very low	225 Å²	225	162 Å²	162	85%	0.849	83%	0.827	S	S	*	*			trans	-103	93.8	173.8	-171.9	175.1	-177.6	173.3	0.9	109.7	K404 T408	K404-R406 PolarHBondContact O-N 2.8Å; R406-T408 PolarHBondContact O-N 2.98Å
407	Q	42.1	Very low	43.3	Very low	160 Å²	160	159.9 Å²	159.9	75%	0.748	83%	0.826	S	S	*	*			trans	-62.6	98	178.7	-68.1	-176.3	-5.2	0	0	112.1	E405 R409	E405-Q407 HydrophobicContact CG-CG 4.29Å; E405-Q407 WeakPolarHBondContact OE1-CG 3.35Å; E405-Q407 PolarHBondContact OE1-NE2 2.89Å; Q407-R409 PolarHBondContact O-N 3.04Å
408	T	43	Very low	44.7	Very low	121 Å²	121	157.8 Å²	157.8	74%	0.742	82%	0.82	S	S	*	*			trans	-79.8	112.6	165.8	43.9	0	0	0	0	109	R406 R410	R406-T408 PolarHBondContact O-N 2.98Å; T408-R410 PolarHBondContact O-N 3.09Å
409	R	44.6	Very low	46.4	Very low	246 Å²	246	158.7 Å²	158.7	93%	0.928	81%	0.814	S	S	*	*			trans	-52.5	112.5	-180	-74.8	177.8	168.9	175.2	-4.8	110.6	Q407 K411	Q407-R409 PolarHBondContact O-N 3.04Å; R409-K411 PolarHBondContact O-N 3.27Å; R409-K411 VanDerWaalsContact O-N 3.08Å
410	R	47.9	Very low	48.2	Very low	243 Å²	243	160.1 Å²	160.1	92%	0.917	81%	0.814	S	S	*	*			trans	-60.3	112.7	168.1	-73.1	-176	175.9	-177.8	-1.5	108.6	T408 K412	T408-R410 PolarHBondContact O-N 3.09Å; R410-K412 PolarHBondContact O-N 3.05Å; R410-K412 VanDerWaalsContact O-N 3.11Å
411	K	44.1	Very low	49.8	Very low	199 Å²	199	159.6 Å²	159.6	87%	0.865	80%	0.795	S	S	*	*			trans	-60.1	114.2	167.6	-175.9	-178.4	-179.6	-173.9	0	107	R409 E413	R409-K411 PolarHBondContact O-N 3.27Å; R409-K411 VanDerWaalsContact O-N 3.08Å; K411-E413 PolarHBondContact O-N 3.01Å
412	K	45.7	Very low	51.8	Low	198 Å²	198	160.5 Å²	160.5	86%	0.861	78%	0.784	S	S	*	*			trans	-73.5	78.4	179.2	-171.8	177.9	179.2	176.9	0	109.8	R410	R410-K412 PolarHBondContact O-N 3.05Å; R410-K412 VanDerWaalsContact O-N 3.11Å
413	E	54	Low	53.5	Low	162 Å²	162	160.2 Å²	160.2	76%	0.757	77%	0.769	S	S	*	*			trans	-53.8	138.5	156.9	-171.5	152.3	-136.7	0	0	108.4	K411 L415	K411-E413 PolarHBondContact O-N 3.01Å; E413-L415 VanDerWaalsContact C-N 3.29Å; E413-L415 PolarHBondContact O-N 3.46Å
414	K	50.8	Low	55.3	Low	202 Å²	202	159.5 Å²	159.5	88%	0.878	76%	0.763	S	S	*	*			trans	-72.6	92	174	-81.9	-170.1	174.1	-174.3	0	107.4	D416	K414-D416 PolarHBondContact O-N 3.22Å
415	L	53.6	Low	57	Low	150 Å²	150	153 Å²	153	79%	0.785	75%	0.754	S	S	*	*			trans	-51.5	129.1	160.5	-74	169.1	0	0	0	108	E413 S417	E413-L415 VanDerWaalsContact C-N 3.29Å; E413-L415 PolarHBondContact O-N 3.46Å; L415-S417 PolarHBondContact O-N 3.39Å
416	D	53.1	Low	59	Low	146 Å²	146	150.1 Å²	150.1	78%	0.781	74%	0.74	S	S	*	*			trans	-60.1	127.1	167.8	-158.3	3.5	0	0	0	107.4	K414 D418	K414-D416 PolarHBondContact O-N 3.22Å; D416-D418 PolarHBondContact O-N 2.76Å; D416-D418 VanDerWaalsContact O-N 3.1Å
417	S	61.5	Low	60.5	Low	116 Å²	116	149 Å²	149	81%	0.811	74%	0.742	S	S	*	*	S	Bend	trans	-69.8	-14.1	-162.1	-62.7	0	0	0	0	113.7	L415 Q419	L415-S417 PolarHBondContact O-N 3.39Å; S417-Q419 PolarHBondContact O-N 3.44Å
418	D	67.9	Low	61.6	Low	126 Å²	126	147.4 Å²	147.4	67%	0.674	73%	0.734	S	S	*	*			trans	-91.8	66.7	-178.2	-69.1	-3.1	0	0	0	111	D416 L420	D416-D418 PolarHBondContact O-N 2.76Å; D416-D418 VanDerWaalsContact O-N 3.1Å; D418-L420 HydrophobicContact CB-CD2 4.29Å; D418-L420 HydrophobicContact CB-CG 4.36Å; D418-L420 PolarHBondContact O-N 3.29Å
419	Q	71.4	Confident	63	Low	143 Å²	143	145.1 Å²	145.1	67%	0.668	71%	0.714	S	S	*	*			trans	-71.3	80.1	166	-170.8	-175	-24	0	0	109.8	S417 I421	S417-Q419 PolarHBondContact O-N 3.44Å; Q419-I421 WeakPolarHBondContact CG-O 3.42Å; Q419-I421 PolarHBondContact NE2-O 3.33Å; Q419-I421 PolarHBondContact O-N 2.72Å; Q419-I421 VanDerWaalsContact O-N 3.15Å
420	L	76.1	Confident	64.7	Low	154 Å²	154	134.4 Å²	134.4	81%	0.806	68%	0.681	S	S	*	*			trans	-67.7	-9.3	-177.6	-60.8	-179.9	0	0	0	114.5	D418	D418-L420 HydrophobicContact CB-CD2 4.29Å; D418-L420 HydrophobicContact CB-CG 4.36Å; D418-L420 PolarHBondContact O-N 3.29Å
421	I	69.1	Low	66.6	Low	100 Å²	100	126.6 Å²	126.6	51%	0.513	67%	0.668	S	S	.	*			trans	-129.8	121.1	-174.6	-36.8	-178.8	0	0	0	110.2	Q419 F429	Q419-I421 WeakPolarHBondContact CG-O 3.42Å; Q419-I421 PolarHBondContact NE2-O 3.33Å; Q419-I421 PolarHBondContact O-N 2.72Å; Q419-I421 VanDerWaalsContact O-N 3.15Å; I421-F429 HydrophobicContact CB-CZ 4.41Å; I421-F429 HydrophobicContact CG2-CE2 3.55Å; I421-F429 HydrophobicContact CG2-CZ 3.5Å
422	I	76.9	Confident	68.8	Low	121 Å²	121	118.9 Å²	118.9	62%	0.621	64%	0.638	S	S	*	*			trans	-108.7	118.8	179.9	-57.7	174.7	0	0	0	108.6	A424 Q426	I422-A424 PolarHBondContact O-N 3.28Å; I422-Q426 PolarHBondContact O-NE2 3.07Å; I422-Q426 VanDerWaalsContact O-NE2 3.1Å
423	D	69.4	Low	71	Confident	91 Å²	91	114.1 Å²	114.1	49%	0.487	63%	0.625	S	S	.	*			trans	-78.2	110.7	164.7	-168.8	-4.1	0	0	0	109.2	G425 Q426 F429	D423-G425 WeakPolarHBondContact OD1-CA 3.48Å; D423-G425 PolarHBondContact OD1-N 3.23Å; D423-Q426 PolarHBondContact OD1-N 3.08Å; D423-Q426 VanDerWaalsContact OD1-N 3.14Å; D423-F429 HydrophobicContact CB-CD1 3.85Å; D423-F429 HydrophobicContact CB-CD2 4.4Å; D423-F429 HydrophobicContact CB-CE1 3.64Å; D423-F429 HydrophobicContact CB-CE2 4.19Å; D423-F429 HydrophobicContact CB-CG 4.23Å; D423-F429 HydrophobicContact CB-CZ 3.81Å
424	A	76.8	Confident	72.8	Confident	86 Å²	86	107 Å²	107	71%	0.711	59%	0.593	S	S	*	*	S	Bend	trans	-102.8	25.9	176.2	0	0	0	0	0	111.9	I422	I422-A424 PolarHBondContact O-N 3.28Å
425	G	72.8	Confident	74.7	Confident	68 Å²	68	102.5 Å²	102.5	70%	0.701	59%	0.587	S	S	*	*	S	Bend	trans	81.7	36.7	-173.8	0	0	0	0	0	112.5	D423	D423-G425 WeakPolarHBondContact OD1-CA 3.48Å; D423-G425 PolarHBondContact OD1-N 3.23Å
426	Q	77.5	Confident	76.3	Confident	95 Å²	95	97.8 Å²	97.8	44%	0.444	57%	0.567	S	S	.	*			trans	-77.8	127.1	-174.7	-29.3	-171.3	27.7	0	0	110.5	I422 D423 Q428 F429	I422-Q426 PolarHBondContact O-NE2 3.07Å; I422-Q426 VanDerWaalsContact O-NE2 3.1Å; D423-Q426 PolarHBondContact OD1-N 3.08Å; D423-Q426 VanDerWaalsContact OD1-N 3.14Å; Q426-Q428 PolarHBondContact O-N 2.81Å; Q426-F429 HydrophobicContact CB-CB 4.15Å; Q426-F429 HydrophobicContact CB-CD2 4.37Å; Q426-F429 HydrophobicContact CG-CD2 4.01Å; Q426-F429 PolarHBondContact O-N 2.89Å
427	K	71.6	Confident	78	Confident	201 Å²	201	91 Å²	91	87%	0.874	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-8.2	-174.8	-67.3	-171.5	178.1	-176.5	0	115.6
428	Q	66.7	Low	79.3	Confident	127 Å²	127	86.4 Å²	86.4	59%	0.593	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.6	47.1	-178.5	-66.2	-71.6	-93.9	0	0	109.7	Q426	Q426-Q428 PolarHBondContact O-N 2.81Å
429	F	70.9	Confident	80.3	Confident	73 Å²	73	82.3 Å²	82.3	32%	0.32	48%	0.479	S	S	.	.			trans	-84.8	129.9	-179.8	-165.9	-107.3	0	0	0	111.9	I421 D423 Q426	I421-F429 HydrophobicContact CB-CZ 4.41Å; I421-F429 HydrophobicContact CG2-CE2 3.55Å; I421-F429 HydrophobicContact CG2-CZ 3.5Å; D423-F429 HydrophobicContact CB-CD1 3.85Å; D423-F429 HydrophobicContact CB-CD2 4.4Å; D423-F429 HydrophobicContact CB-CE1 3.64Å; D423-F429 HydrophobicContact CB-CE2 4.19Å; D423-F429 HydrophobicContact CB-CG 4.23Å; D423-F429 HydrophobicContact CB-CZ 3.81Å; Q426-F429 HydrophobicContact CB-CB 4.15Å; Q426-F429 HydrophobicContact CB-CD2 4.37Å; Q426-F429 HydrophobicContact CG-CD2 4.01Å; Q426-F429 PolarHBondContact O-N 2.89Å
430	G	80.8	Confident	81.3	Confident	22 Å²	22	79.8 Å²	79.8	23%	0.227	47%	0.473	C	S	.	.	S	Bend	trans	77.5	-162.5	172.6	0	0	0	0	0	116.3	T432	G430-T432 PolarHBondContact O-N 3.39Å; G430-T432 PolarHBondContact O-OG1 3.23Å
431	A	88.2	Confident	82.1	Confident	79 Å²	79	74.1 Å²	74.1	65%	0.653	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	118.1	-168.4	0	0	0	0	0	112.7	V440	A431-V440 HydrophobicContact CB-CG1 3.89Å
432	T	90.1	Very high	83.2	Confident	37 Å²	37	71.1 Å²	71.1	23%	0.227	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.5	-176.9	-62	0	0	0	0	110.4	G430 V440 Y441	G430-T432 PolarHBondContact O-N 3.39Å; G430-T432 PolarHBondContact O-OG1 3.23Å; T432-V440 WeakPolarHBondContact O-CA 3.19Å; T432-Y441 PolarHBondContact N-O 2.81Å; T432-Y441 WeakPolarHBondContact O-CD1 3.3Å; T432-Y441 PolarHBondContact O-N 3.2Å; T432-Y441 VanDerWaalsContact O-O 3.13Å
433	T	91.8	Very high	83.7	Confident	97 Å²	97	66.7 Å²	66.7	60%	0.595	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.8	173.5	47.7	0	0	0	0	111.5	S435 V440	T433-S435 PolarHBondContact O-N 3.28Å; T433-V440 HydrophobicContact CG2-CG2 3.85Å
434	C	92.1	Very high	84.5	Confident	12 Å²	12	65.9 Å²	65.9	8%	0.081	41%	0.406	C	S	.	.			trans	-68	121.4	171.5	-178.2	0	0	0	0	111.6	S436 C437 G438 M439 Y441 H452	C434-S436 PolarHBondContact O-N 3.44Å; C434-S436 PolarHBondContact SG-OG 3.36Å; C434-C437 VanDerWaalsContact CB-SG 3.58Å; C434-C437 PolarHBondContact SG-SG 2.81Å; C434-G438 VanDerWaalsContact O-CA 3.26Å; C434-G438 WeakPolarHBondContact O-CA 3.34Å; C434-G438 PolarHBondContact O-N 2.81Å; C434-M439 PolarHBondContact N-O 2.96Å; C434-Y441 HydrophobicContact CB-CE1 4.07Å; C434-H452 WeakPolarHBondContact CB-NE2 3.1Å; C434-H452 PolarHBondContact SG-NE2 2.96Å
435	S	89.8	Confident	85.1	Confident	109 Å²	109	65 Å²	65	76%	0.762	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	5.4	-177	58.3	0	0	0	0	115.7	T433 L591	T433-S435 PolarHBondContact O-N 3.28Å; S435-L591 VanDerWaalsContact O-CD1 3.26Å; S435-L591 WeakPolarHBondContact O-CD1 3.16Å
436	S	88.2	Confident	85.9	Confident	50 Å²	50	66.9 Å²	66.9	35%	0.35	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.5	-23.1	-175.7	43.6	0	0	0	0	115.1	C434 H456	C434-S436 PolarHBondContact O-N 3.44Å; C434-S436 PolarHBondContact SG-OG 3.36Å; S436-H456 PolarHBondContact OG-CE1 3.49Å; S436-H456 VanDerWaalsContact OG-CE1 3.31Å
437	C	88.9	Confident	86.5	Confident	4 Å²	4	67.1 Å²	67.1	3%	0.027	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-1.6	166.8	69.7	0	0	0	0	113.9	C434 M439 F455 H456 F459	C434-C437 VanDerWaalsContact CB-SG 3.58Å; C434-C437 PolarHBondContact SG-SG 2.81Å; C437-M439 PolarHBondContact O-N 2.78Å; C437-M439 VanDerWaalsContact O-N 3.08Å; C437-F455 HydrophobicContact CB-CD1 4.44Å; C437-F455 HydrophobicContact CB-CE1 4.13Å; C437-H456 HydrophobicContact CB-CB 4.39Å; C437-F459 HydrophobicContact CB-CD1 3.79Å; C437-F459 HydrophobicContact CB-CE1 4.37Å; C437-F459 HydrophobicContact CB-CG 4.33Å
438	G	87.9	Confident	87.6	Confident	19 Å²	19	59.2 Å²	59.2	20%	0.196	36%	0.357	C	S	.	.			trans	71	-4.2	176.9	0	0	0	0	0	115.9	C434	C434-G438 VanDerWaalsContact O-CA 3.26Å; C434-G438 WeakPolarHBondContact O-CA 3.34Å; C434-G438 PolarHBondContact O-N 2.81Å
439	M	90.5	Very high	88.8	Confident	41 Å²	41	56.2 Å²	56.2	20%	0.202	35%	0.345	C	S	.	.			trans	-67.5	135.3	-178.2	-156	-175.7	96.8	0	0	111.4	C434 C437 H452 F455	C434-M439 PolarHBondContact N-O 2.96Å; C437-M439 PolarHBondContact O-N 2.78Å; C437-M439 VanDerWaalsContact O-N 3.08Å; M439-H452 HydrophobicContact CE-CB 3.66Å; M439-F455 HydrophobicContact CB-CD1 3.9Å; M439-F455 HydrophobicContact CB-CE1 3.87Å; M439-F455 HydrophobicContact CG-CD1 4.02Å; M439-F455 HydrophobicContact CG-CE1 4.15Å; M439-F455 HydrophobicContact SD-CB 3.72Å; M439-F455 HydrophobicContact SD-CD1 3.45Å; M439-F455 WeakPolarHBondContact SD-CD1 3.46Å; M439-F455 HydrophobicContact SD-CD2 4.29Å; M439-F455 HydrophobicContact SD-CE1 4.14Å; M439-F455 HydrophobicContact SD-CG 3.54Å; M439-F455 VanDerWaalsContact SD-CG 3.54Å
440	V	92.1	Very high	89.8	Confident	90 Å²	90	58.6 Å²	58.6	55%	0.545	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.2	167.6	-178.1	0	0	0	0	108.5	A431 T432 T433	A431-V440 HydrophobicContact CB-CG1 3.89Å; T432-V440 WeakPolarHBondContact O-CA 3.19Å; T433-V440 HydrophobicContact CG2-CG2 3.85Å
441	Y	93.1	Very high	90.4	Very high	35 Å²	35	60.9 Å²	60.9	14%	0.137	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	158.4	175.7	73.3	-76.7	0	0	0	111.6	T432 C434 A443 N449 H452	T432-Y441 PolarHBondContact N-O 2.81Å; T432-Y441 WeakPolarHBondContact O-CD1 3.3Å; T432-Y441 PolarHBondContact O-N 3.2Å; T432-Y441 VanDerWaalsContact O-O 3.13Å; C434-Y441 HydrophobicContact CB-CE1 4.07Å; Y441-A443 HydrophobicContact CE2-CB 4.23Å; Y441-N449 HydrophobicContact CE2-CB 4.42Å; Y441-H452 HydrophobicContact CD1-CB 4.14Å; Y441-H452 AromaticContact CD1-CD2 3.88Å; Y441-H452 AromaticContact CD1-CG 3.71Å; Y441-H452 HydrophobicContact CD2-CB 3.95Å; Y441-H452 AromaticContact CE1-CD2 3.93Å; Y441-H452 AromaticContact CE1-CE1 3.64Å; Y441-H452 AromaticContact CE1-CG 3.77Å; Y441-H452 AromaticContact CE1-ND1 3.59Å; Y441-H452 AromaticContact CE1-NE2 3.87Å; Y441-H452 HydrophobicContact CE2-CB 4.4Å; Y441-H452 AromaticContact CE2-ND1 3.7Å; Y441-H452 HydrophobicContact CG-CB 3.81Å; Y441-H452 AromaticContact CG-CG 3.87Å; Y441-H452 AromaticContact CZ-CE1 3.68Å; Y441-H452 AromaticContact CZ-CG 3.98Å; Y441-H452 AromaticContact CZ-ND1 3.42Å
442	S	90.8	Very high	90.7	Very high	37 Å²	37	57.9 Å²	57.9	26%	0.259	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	109.2	179.9	-29.9	0	0	0	0	108.6	D444 N445 D448	S442-D444 VanDerWaalsContact C-OD1 3.31Å; S442-D444 WeakPolarHBondContact CB-OD1 3.31Å; S442-D444 PolarHBondContact O-N 3.19Å; S442-N445 PolarHBondContact O-N 2.9Å; S442-D448 WeakPolarHBondContact CB-OD2 3.33Å; S442-D448 PolarHBondContact N-OD2 3.39Å; S442-D448 PolarHBondContact OG-OD2 2.75Å
443	A	87.1	Confident	90.9	Very high	27 Å²	27	59 Å²	59	22%	0.223	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.8	-172	0	0	0	0	0	113.8	Y441	Y441-A443 HydrophobicContact CE2-CB 4.23Å
444	D	86.8	Confident	91	Very high	74 Å²	74	58 Å²	58	40%	0.396	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-25.9	173	57.1	-20.1	0	0	0	113.5	S442 P446	S442-D444 VanDerWaalsContact C-OD1 3.31Å; S442-D444 WeakPolarHBondContact CB-OD1 3.31Å; S442-D444 PolarHBondContact O-N 3.19Å; D444-P446 WeakPolarHBondContact O-CD 3.4Å
445	N	88.8	Confident	91	Very high	68 Å²	68	61.1 Å²	61.1	36%	0.364	34%	0.341	S	S	.	.			trans	-90.5	115.1	-178.8	-175.8	-4	0	0	0	111.8	S442 E447 D448 N449	S442-N445 PolarHBondContact O-N 2.9Å; N445-E447 VanDerWaalsContact C-N 3.3Å; N445-E447 PolarHBondContact O-N 3.45Å; N445-E447 WeakPolarHBondContact OD1-CB 3.43Å; N445-E447 PolarHBondContact OD1-N 3.18Å; N445-E447 VanDerWaalsContact OD1-N 3.07Å; N445-D448 HydrophobicContact CB-CB 3.87Å; N445-D448 PolarHBondContact O-N 2.82Å; N445-N449 WeakPolarHBondContact O-CB 3.26Å; N445-N449 PolarHBondContact O-N 3.37Å
446	P	89.4	Confident	91.2	Very high	107 Å²	107	58.2 Å²	58.2	70%	0.695	32%	0.315	S	S	*	.	H	α-helix	trans	-65.8	-28.9	-179.1	27	-35	0	0	0	113.6	D444 F450	D444-P446 WeakPolarHBondContact O-CD 3.4Å; P446-F450 WeakPolarHBondContact O-CB 3.44Å; P446-F450 PolarHBondContact O-N 2.71Å
447	E	92.1	Very high	91.4	Very high	101 Å²	101	61.5 Å²	61.5	47%	0.472	33%	0.325	S	S	.	.	H	α-helix	trans	-69.4	-43.4	176.1	177.8	58.4	-149.5	0	0	110.8	N445 F450 Q451	N445-E447 VanDerWaalsContact C-N 3.3Å; N445-E447 PolarHBondContact O-N 3.45Å; N445-E447 WeakPolarHBondContact OD1-CB 3.43Å; N445-E447 PolarHBondContact OD1-N 3.18Å; N445-E447 VanDerWaalsContact OD1-N 3.07Å; E447-F450 PolarHBondContact O-N 2.97Å; E447-Q451 WeakPolarHBondContact O-CG 3.38Å; E447-Q451 PolarHBondContact O-N 2.83Å; E447-Q451 PolarHBondContact OE1-NE2 3.2Å
448	D	93.8	Very high	91.5	Very high	34 Å²	34	68.6 Å²	68.6	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-69.3	-38.4	178.9	-155.3	0.6	0	0	0	110.9	S442 N445 F450 Q451 H452	S442-D448 WeakPolarHBondContact CB-OD2 3.33Å; S442-D448 PolarHBondContact N-OD2 3.39Å; S442-D448 PolarHBondContact OG-OD2 2.75Å; N445-D448 HydrophobicContact CB-CB 3.87Å; N445-D448 PolarHBondContact O-N 2.82Å; D448-F450 VanDerWaalsContact C-N 3.34Å; D448-F450 PolarHBondContact O-N 2.67Å; D448-Q451 PolarHBondContact O-N 3.16Å; D448-H452 VanDerWaalsContact O-CB 3.22Å; D448-H452 WeakPolarHBondContact O-CB 3.41Å; D448-H452 PolarHBondContact O-N 3.13Å
449	N	91.4	Very high	91.7	Very high	64 Å²	64	68.1 Å²	68.1	34%	0.342	34%	0.344	S	S	.	.	H	α-helix	trans	-66.4	-32.9	172.7	-165	12.8	0	0	0	112.9	Y441 N445 T453	Y441-N449 HydrophobicContact CE2-CB 4.42Å; N445-N449 WeakPolarHBondContact O-CB 3.26Å; N445-N449 PolarHBondContact O-N 3.37Å; N449-T453 WeakPolarHBondContact O-CB 3.48Å; N449-T453 PolarHBondContact O-N 3.46Å; N449-T453 PolarHBondContact O-OG1 2.81Å
450	F	93.1	Very high	91.8	Very high	123 Å²	123	68.3 Å²	68.3	54%	0.539	35%	0.346	S	S	.	.	H	α-helix	trans	-69.1	-44.8	171.6	177	-104.2	0	0	0	112	P446 E447 D448 T453 Q454	P446-F450 WeakPolarHBondContact O-CB 3.44Å; P446-F450 PolarHBondContact O-N 2.71Å; E447-F450 PolarHBondContact O-N 2.97Å; D448-F450 VanDerWaalsContact C-N 3.34Å; D448-F450 PolarHBondContact O-N 2.67Å; F450-T453 PolarHBondContact O-N 2.98Å; F450-Q454 PolarHBondContact O-N 2.55Å
451	Q	93.1	Very high	91.7	Very high	71 Å²	71	68.7 Å²	68.7	33%	0.332	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-43.8	174.5	-71.1	-177.2	31.5	0	0	111.4	E447 D448 T453 Q454 F455	E447-Q451 WeakPolarHBondContact O-CG 3.38Å; E447-Q451 PolarHBondContact O-N 2.83Å; E447-Q451 PolarHBondContact OE1-NE2 3.2Å; D448-Q451 PolarHBondContact O-N 3.16Å; Q451-T453 PolarHBondContact O-N 3.1Å; Q451-Q454 PolarHBondContact O-N 3.21Å; Q451-F455 WeakPolarHBondContact O-CB 3.37Å; Q451-F455 PolarHBondContact O-N 3.14Å
452	H	94	Very high	91.6	Very high	16 Å²	16	68.3 Å²	68.3	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-54.6	-50.8	170.5	166.6	-121.8	0	0	0	111.6	C434 M439 Y441 D448 Q454 F455 H456	C434-H452 WeakPolarHBondContact CB-NE2 3.1Å; C434-H452 PolarHBondContact SG-NE2 2.96Å; M439-H452 HydrophobicContact CE-CB 3.66Å; Y441-H452 HydrophobicContact CD1-CB 4.14Å; Y441-H452 AromaticContact CD1-CD2 3.88Å; Y441-H452 AromaticContact CD1-CG 3.71Å; Y441-H452 HydrophobicContact CD2-CB 3.95Å; Y441-H452 AromaticContact CE1-CD2 3.93Å; Y441-H452 AromaticContact CE1-CE1 3.64Å; Y441-H452 AromaticContact CE1-CG 3.77Å; Y441-H452 AromaticContact CE1-ND1 3.59Å; Y441-H452 AromaticContact CE1-NE2 3.87Å; Y441-H452 HydrophobicContact CE2-CB 4.4Å; Y441-H452 AromaticContact CE2-ND1 3.7Å; Y441-H452 HydrophobicContact CG-CB 3.81Å; Y441-H452 AromaticContact CG-CG 3.87Å; Y441-H452 AromaticContact CZ-CE1 3.68Å; Y441-H452 AromaticContact CZ-CG 3.98Å; Y441-H452 AromaticContact CZ-ND1 3.42Å; D448-H452 VanDerWaalsContact O-CB 3.22Å; D448-H452 WeakPolarHBondContact O-CB 3.41Å; D448-H452 PolarHBondContact O-N 3.13Å; H452-Q454 VanDerWaalsContact C-N 3.3Å; H452-Q454 PolarHBondContact O-N 3.21Å; H452-F455 PolarHBondContact O-N 3.26Å; H452-H456 WeakPolarHBondContact O-CB 3.35Å; H452-H456 PolarHBondContact O-N 2.77Å
453	T	94	Very high	91.7	Very high	60 Å²	60	66.5 Å²	66.5	37%	0.368	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-42	179.3	-60.5	0	0	0	0	111.6	N449 F450 Q451 Q457	N449-T453 WeakPolarHBondContact O-CB 3.48Å; N449-T453 PolarHBondContact O-N 3.46Å; N449-T453 PolarHBondContact O-OG1 2.81Å; F450-T453 PolarHBondContact O-N 2.98Å; Q451-T453 PolarHBondContact O-N 3.1Å; T453-Q457 WeakPolarHBondContact O-CG 3.09Å; T453-Q457 PolarHBondContact O-N 3.23Å
454	Q	93.8	Very high	92.1	Very high	75 Å²	75	70.2 Å²	70.2	35%	0.35	35%	0.345	S	S	.	.	H	α-helix	trans	-69.5	-40.6	177.9	-172.5	178.6	119.7	0	0	112.9	F450 Q451 H452 R458	F450-Q454 PolarHBondContact O-N 2.55Å; Q451-Q454 PolarHBondContact O-N 3.21Å; H452-Q454 VanDerWaalsContact C-N 3.3Å; H452-Q454 PolarHBondContact O-N 3.21Å; Q454-R458 VanDerWaalsContact CD-NH2 3.27Å; Q454-R458 WeakPolarHBondContact O-CG 3.25Å; Q454-R458 PolarHBondContact O-N 3.29Å
455	F	92.1	Very high	92.5	Very high	79 Å²	79	67.1 Å²	67.1	35%	0.346	33%	0.328	S	S	.	.	H	α-helix	trans	-65.3	-50.8	174.8	173.2	-93.5	0	0	0	110.8	C437 M439 Q451 H452 Q457 R458 F459	C437-F455 HydrophobicContact CB-CD1 4.44Å; C437-F455 HydrophobicContact CB-CE1 4.13Å; M439-F455 HydrophobicContact CB-CD1 3.9Å; M439-F455 HydrophobicContact CB-CE1 3.87Å; M439-F455 HydrophobicContact CG-CD1 4.02Å; M439-F455 HydrophobicContact CG-CE1 4.15Å; M439-F455 HydrophobicContact SD-CB 3.72Å; M439-F455 HydrophobicContact SD-CD1 3.45Å; M439-F455 WeakPolarHBondContact SD-CD1 3.46Å; M439-F455 HydrophobicContact SD-CD2 4.29Å; M439-F455 HydrophobicContact SD-CE1 4.14Å; M439-F455 HydrophobicContact SD-CG 3.54Å; M439-F455 VanDerWaalsContact SD-CG 3.54Å; Q451-F455 WeakPolarHBondContact O-CB 3.37Å; Q451-F455 PolarHBondContact O-N 3.14Å; H452-F455 PolarHBondContact O-N 3.26Å; F455-Q457 PolarHBondContact O-N 2.86Å; F455-R458 PolarHBondContact O-N 3.23Å; F455-F459 HydrophobicContact CD1-CB 4.27Å; F455-F459 HydrophobicContact CE1-CB 3.89Å; F455-F459 HydrophobicContact CE1-CD2 4.02Å; F455-F459 AromaticContact CE1-CG 3.98Å; F455-F459 HydrophobicContact CE1-CG 3.98Å; F455-F459 HydrophobicContact CE2-CB 4.5Å; F455-F459 HydrophobicContact CE2-CD2 4.31Å; F455-F459 HydrophobicContact CZ-CB 4.02Å; F455-F459 AromaticContact CZ-CD2 3.56Å; F455-F459 HydrophobicContact CZ-CD2 3.56Å; F455-F459 HydrophobicContact CZ-CE2 4.32Å; F455-F459 AromaticContact CZ-CG 3.97Å; F455-F459 HydrophobicContact CZ-CG 3.97Å; F455-F459 VanDerWaalsContact O-CB 3.24Å; F455-F459 WeakPolarHBondContact O-CB 3.45Å; F455-F459 PolarHBondContact O-N 3.5Å
456	H	93.5	Very high	92.6	Very high	47 Å²	47	69.5 Å²	69.5	22%	0.218	35%	0.345	C	S	.	.	H	α-helix	trans	-54.1	-48.4	-177.5	174.1	96	0	0	0	112.1	S436 C437 H452 L460	S436-H456 PolarHBondContact OG-CE1 3.49Å; S436-H456 VanDerWaalsContact OG-CE1 3.31Å; C437-H456 HydrophobicContact CB-CB 4.39Å; H452-H456 WeakPolarHBondContact O-CB 3.35Å; H452-H456 PolarHBondContact O-N 2.77Å; H456-L460 WeakPolarHBondContact NE2-CD1 3.33Å; H456-L460 WeakPolarHBondContact O-CB 3.18Å; H456-L460 WeakPolarHBondContact O-CG 3.4Å; H456-L460 PolarHBondContact O-N 2.85Å
457	Q	93.1	Very high	92.6	Very high	120 Å²	120	65.5 Å²	65.5	56%	0.561	32%	0.323	S	S	*	.	H	α-helix	trans	-60.5	-51.1	176.6	-70.9	174.3	9.3	0	0	111.8	T453 F455 F459 D461	T453-Q457 WeakPolarHBondContact O-CG 3.09Å; T453-Q457 PolarHBondContact O-N 3.23Å; F455-Q457 PolarHBondContact O-N 2.86Å; Q457-F459 PolarHBondContact O-N 3.24Å; Q457-D461 PolarHBondContact O-N 3.45Å; Q457-D461 VanDerWaalsContact O-N 3.08Å
458	R	91.8	Very high	92.6	Very high	153 Å²	153	62.7 Å²	62.7	58%	0.577	31%	0.309	S	S	*	.	H	α-helix	trans	-60.8	-46.1	179.1	-72.1	177.8	-179.3	148.5	8.6	112	Q454 F455 S462	Q454-R458 VanDerWaalsContact CD-NH2 3.27Å; Q454-R458 WeakPolarHBondContact O-CG 3.25Å; Q454-R458 PolarHBondContact O-N 3.29Å; F455-R458 PolarHBondContact O-N 3.23Å; R458-S462 WeakPolarHBondContact O-CB 3.45Å; R458-S462 PolarHBondContact O-N 3.19Å; R458-S462 PolarHBondContact O-OG 2.9Å; R458-S462 VanDerWaalsContact O-OG 3.1Å
459	F	92	Very high	92.4	Very high	9 Å²	9	71.1 Å²	71.1	4%	0.039	34%	0.343	C	S	.	.	H	α-helix	trans	-60.4	-52	-178.8	-178.9	-90.8	0	0	0	110.8	C437 F455 Q457 S462 I463 I503 F589	C437-F459 HydrophobicContact CB-CD1 3.79Å; C437-F459 HydrophobicContact CB-CE1 4.37Å; C437-F459 HydrophobicContact CB-CG 4.33Å; F455-F459 HydrophobicContact CD1-CB 4.27Å; F455-F459 HydrophobicContact CE1-CB 3.89Å; F455-F459 HydrophobicContact CE1-CD2 4.02Å; F455-F459 AromaticContact CE1-CG 3.98Å; F455-F459 HydrophobicContact CE1-CG 3.98Å; F455-F459 HydrophobicContact CE2-CB 4.5Å; F455-F459 HydrophobicContact CE2-CD2 4.31Å; F455-F459 HydrophobicContact CZ-CB 4.02Å; F455-F459 AromaticContact CZ-CD2 3.56Å; F455-F459 HydrophobicContact CZ-CD2 3.56Å; F455-F459 HydrophobicContact CZ-CE2 4.32Å; F455-F459 AromaticContact CZ-CG 3.97Å; F455-F459 HydrophobicContact CZ-CG 3.97Å; F455-F459 VanDerWaalsContact O-CB 3.24Å; F455-F459 WeakPolarHBondContact O-CB 3.45Å; F455-F459 PolarHBondContact O-N 3.5Å; Q457-F459 PolarHBondContact O-N 3.24Å; F459-S462 CarbonylContact O-C 3.58Å; F459-S462 PolarHBondContact O-N 2.85Å; F459-I463 HydrophobicContact CD1-CD1 4.32Å; F459-I463 HydrophobicContact CE1-CD1 3.74Å; F459-I463 HydrophobicContact CE1-CG1 4.31Å; F459-I463 HydrophobicContact CE1-CG2 4.26Å; F459-I463 HydrophobicContact CE2-CG2 4.48Å; F459-I463 HydrophobicContact CZ-CD1 4.43Å; F459-I463 HydrophobicContact CZ-CG2 4.12Å; F459-I463 WeakPolarHBondContact O-CG1 3.39Å; F459-I463 PolarHBondContact O-N 2.91Å; F459-I503 HydrophobicContact CD2-CG2 3.97Å; F459-I503 HydrophobicContact CE2-CG2 3.53Å; F459-F589 AromaticContact CE1-CD2 3.94Å; F459-F589 HydrophobicContact CE1-CD2 3.94Å; F459-F589 AromaticContact CE1-CE2 3.48Å; F459-F589 HydrophobicContact CE1-CE2 3.48Å; F459-F589 VanDerWaalsContact CE1-CE2 3.48Å; F459-F589 HydrophobicContact CE1-CZ 4.03Å; F459-F589 AromaticContact CZ-CD2 3.53Å; F459-F589 HydrophobicContact CZ-CD2 3.53Å; F459-F589 AromaticContact CZ-CE2 3.45Å; F459-F589 HydrophobicContact CZ-CE2 3.45Å; F459-F589 VanDerWaalsContact CZ-CE2 3.45Å; F459-F589 HydrophobicContact CZ-CZ 4.42Å
460	L	91.1	Very high	92.4	Very high	45 Å²	45	76.4 Å²	76.4	24%	0.236	36%	0.363	C	S	.	.	H	α-helix	trans	-61.9	-47.3	-180	-72.1	-174.9	0	0	0	112.2	H456 S462 I463 K464	H456-L460 WeakPolarHBondContact NE2-CD1 3.33Å; H456-L460 WeakPolarHBondContact O-CB 3.18Å; H456-L460 WeakPolarHBondContact O-CG 3.4Å; H456-L460 PolarHBondContact O-N 2.85Å; L460-S462 VanDerWaalsContact C-N 3.29Å; L460-S462 PolarHBondContact O-N 3.19Å; L460-I463 HydrophobicContact CD2-CD1 4.23Å; L460-I463 WeakPolarHBondContact O-CG1 3.2Å; L460-I463 PolarHBondContact O-N 2.77Å; L460-K464 WeakPolarHBondContact O-CB 3.28Å; L460-K464 PolarHBondContact O-N 3.1Å
461	D	91.6	Very high	92.4	Very high	98 Å²	98	73 Å²	73	52%	0.524	35%	0.349	S	S	.	.	H	α-helix	trans	-63.7	-34.6	176.7	-80.4	-31	0	0	0	112.3	Q457 K464 K496	Q457-D461 PolarHBondContact O-N 3.45Å; Q457-D461 VanDerWaalsContact O-N 3.08Å; D461-K464 PolarHBondContact O-N 3.21Å; D461-K464 IonicContact OD1-NZ 2.7Å; D461-K496 PolarHBondContact O-NZ 3.4Å; D461-K496 VanDerWaalsContact O-NZ 3.15Å
462	S	91.1	Very high	92.5	Very high	26 Å²	26	74.1 Å²	74.1	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-75.8	-25.2	177.2	-67.5	0	0	0	0	114.1	R458 F459 L460 K496 E499	R458-S462 WeakPolarHBondContact O-CB 3.45Å; R458-S462 PolarHBondContact O-N 3.19Å; R458-S462 PolarHBondContact O-OG 2.9Å; R458-S462 VanDerWaalsContact O-OG 3.1Å; F459-S462 CarbonylContact O-C 3.58Å; F459-S462 PolarHBondContact O-N 2.85Å; L460-S462 VanDerWaalsContact C-N 3.29Å; L460-S462 PolarHBondContact O-N 3.19Å; S462-K496 VanDerWaalsContact C-NZ 3.34Å; S462-K496 WeakPolarHBondContact O-CE 3.43Å; S462-K496 PolarHBondContact O-NZ 2.77Å; S462-E499 PolarHBondContact OG-OE1 2.68Å
463	I	93	Very high	92.6	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-88.9	-15.5	167.5	66.2	164.3	0	0	0	114.2	F459 L460 Y465 I503 L532 V533 W587	F459-I463 HydrophobicContact CD1-CD1 4.32Å; F459-I463 HydrophobicContact CE1-CD1 3.74Å; F459-I463 HydrophobicContact CE1-CG1 4.31Å; F459-I463 HydrophobicContact CE1-CG2 4.26Å; F459-I463 HydrophobicContact CE2-CG2 4.48Å; F459-I463 HydrophobicContact CZ-CD1 4.43Å; F459-I463 HydrophobicContact CZ-CG2 4.12Å; F459-I463 WeakPolarHBondContact O-CG1 3.39Å; F459-I463 PolarHBondContact O-N 2.91Å; L460-I463 HydrophobicContact CD2-CD1 4.23Å; L460-I463 WeakPolarHBondContact O-CG1 3.2Å; L460-I463 PolarHBondContact O-N 2.77Å; I463-Y465 PolarHBondContact O-N 3.45Å; I463-I503 HydrophobicContact CG2-CD1 3.58Å; I463-L532 HydrophobicContact CD1-CB 4.3Å; I463-L532 HydrophobicContact CD1-CD1 4.42Å; I463-L532 HydrophobicContact CD1-CD2 4.48Å; I463-L532 HydrophobicContact CG1-CD2 4.43Å; I463-V533 WeakPolarHBondContact O-CB 3.25Å; I463-V533 WeakPolarHBondContact O-CG2 3.44Å; I463-V533 PolarHBondContact O-N 2.91Å; I463-W587 HydrophobicContact CG2-CH2 4.36Å
464	K	94.3	Very high	92.6	Very high	105 Å²	105	74.9 Å²	74.9	46%	0.457	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-65.4	132	-176.6	-176.5	173.1	-177.9	175.6	0	113.2	L460 D461 K496 L532	L460-K464 WeakPolarHBondContact O-CB 3.28Å; L460-K464 PolarHBondContact O-N 3.1Å; D461-K464 PolarHBondContact O-N 3.21Å; D461-K464 IonicContact OD1-NZ 2.7Å; K464-K496 WeakPolarHBondContact O-CE 3.32Å; K464-K496 PolarHBondContact O-NZ 2.76Å; K464-K496 VanDerWaalsContact O-NZ 3.09Å; K464-L532 HydrophobicContact CB-CD2 4.45Å
465	Y	94.4	Very high	92.7	Very high	9 Å²	9	72.3 Å²	72.3	4%	0.035	35%	0.348	C	S	.	.			trans	-106.9	124.9	178.5	-166.4	-104.5	0	0	0	110.8	I463 G467 W468 E471 I483 I527 R531 V533	I463-Y465 PolarHBondContact O-N 3.45Å; Y465-G467 VanDerWaalsContact CE1-CA 3.49Å; Y465-W468 HydrophobicContact CD2-CZ2 4.42Å; Y465-W468 AromaticContact CE2-CD2 3.95Å; Y465-W468 HydrophobicContact CE2-CD2 3.95Å; Y465-W468 AromaticContact CE2-CE2 3.52Å; Y465-W468 HydrophobicContact CE2-CE3 4.35Å; Y465-W468 HydrophobicContact CE2-CH2 4Å; Y465-W468 AromaticContact CE2-CZ2 3.55Å; Y465-W468 HydrophobicContact CE2-CZ2 3.55Å; Y465-W468 HydrophobicContact CE2-CZ3 4.39Å; Y465-W468 AromaticContact CE2-NE1 3.89Å; Y465-W468 AromaticContact CZ-CD2 3.88Å; Y465-W468 AromaticContact CZ-CE2 3.93Å; Y465-W468 VanDerWaalsContact OH-CE3 3.27Å; Y465-E471 WeakPolarHBondContact CE1-OE1 3.41Å; Y465-E471 VanDerWaalsContact OH-CD 3.28Å; Y465-E471 WeakPolarHBondContact OH-CG 3.25Å; Y465-E471 PolarHBondContact OH-OE1 3.46Å; Y465-I483 HydrophobicContact CE2-CD1 3.86Å; Y465-I527 HydrophobicContact CD1-CD1 3.78Å; Y465-I527 HydrophobicContact CD1-CG1 4.38Å; Y465-I527 HydrophobicContact CD1-CG2 4.07Å; Y465-I527 HydrophobicContact CD2-CD1 3.83Å; Y465-I527 HydrophobicContact CD2-CG1 4.28Å; Y465-I527 HydrophobicContact CE1-CD1 3.62Å; Y465-I527 HydrophobicContact CE2-CD1 3.69Å; Y465-I527 HydrophobicContact CG-CD1 3.87Å; Y465-I527 HydrophobicContact CG-CG1 4.18Å; Y465-I527 HydrophobicContact CG-CG2 4.27Å; Y465-R531 WeakPolarHBondContact CA-O 2.77Å; Y465-R531 VanDerWaalsContact CB-O 3.26Å; Y465-R531 WeakPolarHBondContact CB-O 3.42Å; Y465-R531 PolarHBondContact N-O 3.48Å; Y465-R531 WeakPolarHBondContact O-CB 3.46Å; Y465-V533 HydrophobicContact CD2-CG2 4.27Å
466	V	91.1	Very high	92.9	Very high	117 Å²	117	75.1 Å²	75.1	71%	0.709	36%	0.362	S	S	*	.			trans	-92.6	-7.3	-176.4	-65.9	0	0	0	0	114.2
467	G	90.1	Very high	93	Very high	24 Å²	24	76.2 Å²	76.2	25%	0.247	37%	0.366	C	S	.	.			trans	79.8	142	-166	0	0	0	0	0	112.2	Y465 E471	Y465-G467 VanDerWaalsContact CE1-CA 3.49Å; G467-E471 WeakPolarHBondContact CA-OE1 3.4Å
468	W	92.8	Very high	93.1	Very high	42 Å²	42	81.5 Å²	81.5	16%	0.159	38%	0.381	C	S	.	.			trans	-119.1	155.4	176.9	-55.8	-27.4	0	0	0	111.3	Y465 K470 E471 I483 V485 Y492 A493 K496	Y465-W468 HydrophobicContact CD2-CZ2 4.42Å; Y465-W468 AromaticContact CE2-CD2 3.95Å; Y465-W468 HydrophobicContact CE2-CD2 3.95Å; Y465-W468 AromaticContact CE2-CE2 3.52Å; Y465-W468 HydrophobicContact CE2-CE3 4.35Å; Y465-W468 HydrophobicContact CE2-CH2 4Å; Y465-W468 AromaticContact CE2-CZ2 3.55Å; Y465-W468 HydrophobicContact CE2-CZ2 3.55Å; Y465-W468 HydrophobicContact CE2-CZ3 4.39Å; Y465-W468 AromaticContact CE2-NE1 3.89Å; Y465-W468 AromaticContact CZ-CD2 3.88Å; Y465-W468 AromaticContact CZ-CE2 3.93Å; Y465-W468 VanDerWaalsContact OH-CE3 3.27Å; W468-K470 PolarHBondContact O-N 3.3Å; W468-E471 HydrophobicContact CB-CG 3.84Å; W468-E471 HydrophobicContact CE3-CG 4.49Å; W468-E471 PolarHBondContact N-OE1 3.3Å; W468-I483 HydrophobicContact CE3-CD1 4.26Å; W468-I483 HydrophobicContact CH2-CD1 3.79Å; W468-I483 HydrophobicContact CZ3-CD1 3.55Å; W468-V485 HydrophobicContact CH2-CG2 3.94Å; W468-V485 HydrophobicContact CZ3-CG2 4.01Å; W468-Y492 HydrophobicContact CB-CE2 3.88Å; W468-Y492 AromaticContact CD1-CD2 3.89Å; W468-Y492 AromaticContact CD1-CE2 3.81Å; W468-Y492 HydrophobicContact CD2-CD2 4.05Å; W468-Y492 AromaticContact CD2-CE2 3.69Å; W468-Y492 HydrophobicContact CD2-CE2 3.69Å; W468-Y492 AromaticContact CE2-CD2 3.98Å; W468-Y492 HydrophobicContact CE3-CE2 4.2Å; W468-Y492 HydrophobicContact CG-CD2 4.03Å; W468-Y492 AromaticContact CG-CE2 3.52Å; W468-Y492 HydrophobicContact CG-CE2 3.52Å; W468-Y492 AromaticContact NE1-CD2 3.86Å; W468-A493 HydrophobicContact CE3-CB 4.05Å; W468-A493 HydrophobicContact CH2-CB 3.52Å; W468-A493 HydrophobicContact CZ2-CB 4.05Å; W468-A493 HydrophobicContact CZ3-CB 3.51Å; W468-K496 HydrophobicContact CZ2-CB 3.96Å; W468-K496 HydrophobicContact CZ2-CG 4.26Å
469	K	89.5	Confident	93.2	Very high	210 Å²	210	75.1 Å²	75.1	91%	0.913	36%	0.358	S	S	*	.	S	Bend	trans	-70.8	-19.5	178.1	-67.9	-172	178	-175.6	0	113.7
470	K	89.9	Confident	93.4	Very high	175 Å²	175	75.2 Å²	75.2	76%	0.761	36%	0.362	S	S	*	.	S	Bend	trans	-137.9	112.9	172.7	-68.2	-170.7	176.1	-171.8	0	106.7	W468	W468-K470 PolarHBondContact O-N 3.3Å
471	E	93.6	Very high	93.7	Very high	53 Å²	53	75.6 Å²	75.6	25%	0.248	36%	0.361	C	S	.	.			trans	-116.9	121.4	177.7	-65.3	179.3	-170.5	0	0	107.5	Y465 G467 W468 V473 K481 I483	Y465-E471 WeakPolarHBondContact CE1-OE1 3.41Å; Y465-E471 VanDerWaalsContact OH-CD 3.28Å; Y465-E471 WeakPolarHBondContact OH-CG 3.25Å; Y465-E471 PolarHBondContact OH-OE1 3.46Å; G467-E471 WeakPolarHBondContact CA-OE1 3.4Å; W468-E471 HydrophobicContact CB-CG 3.84Å; W468-E471 HydrophobicContact CE3-CG 4.49Å; W468-E471 PolarHBondContact N-OE1 3.3Å; E471-V473 HydrophobicContact CB-CG2 4.07Å; E471-V473 PolarHBondContact O-N 3.05Å; E471-K481 VanDerWaalsContact OE2-CE 3.29Å; E471-K481 WeakPolarHBondContact OE2-CE 3.22Å; E471-K481 IonicContact OE2-NZ 2.66Å; E471-K481 PolarHBondContact OE2-NZ 2.93Å; E471-I483 HydrophobicContact CB-CG2 4.44Å
472	R	94.9	Very high	93.9	Very high	94 Å²	94	70.9 Å²	70.9	36%	0.355	34%	0.337	S	S	.	.			trans	-82	74.8	171.4	-172.2	-168.7	-64.8	96.6	-0.7	108.2	V474 I483 L484 D489	R472-V474 HydrophobicContact CG-CG1 4.33Å; R472-I483 CarbonylContact O-C 3.55Å; R472-I483 VanDerWaalsContact O-CA 3.31Å; R472-I483 WeakPolarHBondContact O-CA 3.27Å; R472-L484 WeakPolarHBondContact CB-O 3.46Å; R472-L484 HydrophobicContact CG-CB 4.49Å; R472-L484 PolarHBondContact NH1-O 3.08Å; R472-L484 PolarHBondContact O-N 2.96Å; R472-D489 IonicContact CZ-OD1 2.92Å; R472-D489 IonicContact CZ-OD2 3.5Å; R472-D489 IonicContact NH1-OD1 3.45Å; R472-D489 PolarHBondContact NH1-OD1 3.1Å; R472-D489 IonicContact NH1-OD2 2.68Å; R472-D489 PolarHBondContact NH1-OD2 3.15Å; R472-D489 IonicContact NH2-OD1 2.69Å; R472-D489 PolarHBondContact NH2-OD1 2.68Å; R472-D489 IonicContact NH2-OD2 3.06Å
473	V	96.1	Very high	94.2	Very high	50 Å²	50	69.7 Å²	69.7	30%	0.303	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134	171.4	-172	0	0	0	0	108.4	E471 E476 K481 I483	E471-V473 HydrophobicContact CB-CG2 4.07Å; E471-V473 PolarHBondContact O-N 3.05Å; V473-E476 HydrophobicContact CG1-CG 3.52Å; V473-K481 HydrophobicContact CG1-CB 4.24Å; V473-K481 HydrophobicContact CG1-CD 4.22Å; V473-K481 HydrophobicContact CG2-CD 4.09Å; V473-I483 HydrophobicContact CG2-CG2 4.06Å
474	V	95.4	Very high	94.4	Very high	41 Å²	41	70.2 Å²	70.2	25%	0.248	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-20.2	-176.1	-70.4	0	0	0	0	112.9	R472 I482 L484 F524 T604 T608	R472-V474 HydrophobicContact CG-CG1 4.33Å; V474-I482 HydrophobicContact CG2-CB 4.14Å; V474-I482 HydrophobicContact CG2-CG2 3.72Å; V474-I482 VanDerWaalsContact CG2-O 3.27Å; V474-I482 WeakPolarHBondContact CG2-O 3.5Å; V474-I482 PolarHBondContact N-O 3.02Å; V474-L484 HydrophobicContact CG1-CB 3.69Å; V474-L484 HydrophobicContact CG1-CD2 4.31Å; V474-L484 HydrophobicContact CG2-CB 4.14Å; V474-F524 HydrophobicContact CG2-CD1 4.22Å; V474-F524 HydrophobicContact CG2-CE1 4.41Å; V474-T604 HydrophobicContact CB-CG2 3.97Å; V474-T604 HydrophobicContact CG2-CG2 3.5Å; V474-T604 VanDerWaalsContact CG2-CG2 3.5Å; V474-T608 HydrophobicContact CB-CG2 4.38Å; V474-T608 HydrophobicContact CG1-CG2 3.86Å
475	A	95.6	Very high	94.4	Very high	22 Å²	22	65.4 Å²	65.4	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	145.9	166.9	0	0	0	0	0	110.1	F477 K481 I482 T604	A475-F477 HydrophobicContact CB-CE2 3.64Å; A475-F477 HydrophobicContact CB-CZ 3.78Å; A475-K481 WeakPolarHBondContact O-CA 3.38Å; A475-K481 WeakPolarHBondContact O-CB 3.43Å; A475-I482 HydrophobicContact CB-CB 4.44Å; A475-I482 PolarHBondContact N-O 3.23Å; A475-I482 PolarHBondContact O-N 3.45Å; A475-T604 HydrophobicContact CB-CG2 4.02Å
476	E	96.3	Very high	94.4	Very high	138 Å²	138	67 Å²	67	65%	0.645	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.7	174.3	-61.5	-162.9	145	0	0	110.2	V473 K481	V473-E476 HydrophobicContact CG1-CG 3.52Å; E476-K481 HydrophobicContact CB-CB 4.46Å; E476-K481 HydrophobicContact CG-CB 4.03Å
477	F	95.4	Very high	94.4	Very high	70 Å²	70	63.8 Å²	63.8	31%	0.307	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	168.1	-176.5	-56.3	-80.6	0	0	0	110	A475 D479 G480 I482 F526 R600	A475-F477 HydrophobicContact CB-CE2 3.64Å; A475-F477 HydrophobicContact CB-CZ 3.78Å; F477-D479 VanDerWaalsContact CB-OD1 3.23Å; F477-D479 WeakPolarHBondContact CB-OD1 3.09Å; F477-D479 PolarHBondContact O-N 3.2Å; F477-G480 CarbonylContact C-O 3.47Å; F477-G480 WeakPolarHBondContact CA-O 3.5Å; F477-G480 WeakPolarHBondContact CB-O 3.34Å; F477-G480 PolarHBondContact N-O 3.34Å; F477-G480 PolarHBondContact O-N 3.31Å; F477-I482 HydrophobicContact CE2-CD1 3.73Å; F477-I482 HydrophobicContact CE2-CG1 4.02Å; F477-I482 HydrophobicContact CZ-CD1 4.39Å; F477-F526 AromaticContact CD2-CE2 3.86Å; F477-F526 HydrophobicContact CD2-CE2 3.86Å; F477-F526 HydrophobicContact CD2-CZ 4.44Å; F477-F526 HydrophobicContact CE2-CE2 4.28Å; F477-R600 HydrophobicContact CE1-CB 4.31Å; F477-R600 HydrophobicContact CE1-CG 3.97Å; F477-R600 HydrophobicContact CE2-CB 4.27Å; F477-R600 HydrophobicContact CZ-CB 3.83Å; F477-R600 HydrophobicContact CZ-CG 4.03Å
478	W	94.6	Very high	94.5	Very high	231 Å²	231	69.8 Å²	69.8	88%	0.875	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.3	179.9	57.2	-89.3	0	0	0	113.6
479	D	94.9	Very high	94.6	Very high	19 Å²	19	69.2 Å²	69.2	10%	0.102	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	6.2	-179.7	63	-28.4	0	0	0	113.4	F477 N528 R600	F477-D479 VanDerWaalsContact CB-OD1 3.23Å; F477-D479 WeakPolarHBondContact CB-OD1 3.09Å; F477-D479 PolarHBondContact O-N 3.2Å; D479-N528 PolarHBondContact O-OD1 3.2Å; D479-R600 VanDerWaalsContact CG-NH1 3.29Å; D479-R600 IonicContact OD1-CZ 3.61Å; D479-R600 IonicContact OD1-NH1 3.72Å; D479-R600 PolarHBondContact OD1-NH1 3.42Å; D479-R600 IonicContact OD1-NH2 3.62Å; D479-R600 IonicContact OD2-CZ 3.55Å; D479-R600 IonicContact OD2-NH1 3.69Å; D479-R600 PolarHBondContact OD2-NH1 2.7Å; D479-R600 IonicContact OD2-NH2 2.71Å; D479-R600 PolarHBondContact OD2-NH2 3.33Å
480	G	95.5	Very high	94.8	Very high	11 Å²	11	62.3 Å²	62.3	11%	0.113	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.5	-165.1	-179.8	0	0	0	0	0	114.3	F477 I527	F477-G480 CarbonylContact C-O 3.47Å; F477-G480 WeakPolarHBondContact CA-O 3.5Å; F477-G480 WeakPolarHBondContact CB-O 3.34Å; F477-G480 PolarHBondContact N-O 3.34Å; F477-G480 PolarHBondContact O-N 3.31Å; G480-I527 CarbonylContact C-O 3.49Å; G480-I527 WeakPolarHBondContact CA-O 3.43Å
481	K	96.6	Very high	95	Very high	52 Å²	52	63 Å²	63	23%	0.226	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.1	178.6	64.4	-175.9	-172.2	172.6	0	112.4	E471 V473 A475 E476 I527	E471-K481 VanDerWaalsContact OE2-CE 3.29Å; E471-K481 WeakPolarHBondContact OE2-CE 3.22Å; E471-K481 IonicContact OE2-NZ 2.66Å; E471-K481 PolarHBondContact OE2-NZ 2.93Å; V473-K481 HydrophobicContact CG1-CB 4.24Å; V473-K481 HydrophobicContact CG1-CD 4.22Å; V473-K481 HydrophobicContact CG2-CD 4.09Å; A475-K481 WeakPolarHBondContact O-CA 3.38Å; A475-K481 WeakPolarHBondContact O-CB 3.43Å; E476-K481 HydrophobicContact CB-CB 4.46Å; E476-K481 HydrophobicContact CG-CB 4.03Å; K481-I527 PolarHBondContact N-O 2.7Å; K481-I527 PolarHBondContact O-N 2.85Å
482	I	97.5	Very high	95	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.3	176	-59.7	173.1	0	0	0	108.7	V474 A475 F477 F524 L525 F526 R600 M601 T604	V474-I482 HydrophobicContact CG2-CB 4.14Å; V474-I482 HydrophobicContact CG2-CG2 3.72Å; V474-I482 VanDerWaalsContact CG2-O 3.27Å; V474-I482 WeakPolarHBondContact CG2-O 3.5Å; V474-I482 PolarHBondContact N-O 3.02Å; A475-I482 HydrophobicContact CB-CB 4.44Å; A475-I482 PolarHBondContact N-O 3.23Å; A475-I482 PolarHBondContact O-N 3.45Å; F477-I482 HydrophobicContact CE2-CD1 3.73Å; F477-I482 HydrophobicContact CE2-CG1 4.02Å; F477-I482 HydrophobicContact CZ-CD1 4.39Å; I482-F524 HydrophobicContact CG2-CB 4.14Å; I482-F524 HydrophobicContact CG2-CD1 4.16Å; I482-L525 WeakPolarHBondContact CA-O 3.18Å; I482-F526 HydrophobicContact CD1-CD2 3.94Å; I482-F526 HydrophobicContact CG1-CB 4.28Å; I482-F526 HydrophobicContact CG1-CD2 3.49Å; I482-F526 VanDerWaalsContact CG1-CD2 3.49Å; I482-F526 HydrophobicContact CG1-CE2 4.19Å; I482-F526 HydrophobicContact CG1-CG 4.2Å; I482-R600 HydrophobicContact CD1-CB 4.5Å; I482-M601 HydrophobicContact CD1-CB 4.43Å; I482-M601 HydrophobicContact CD1-CG 3.83Å; I482-M601 HydrophobicContact CG1-CG 4.44Å; I482-T604 HydrophobicContact CB-CG2 4.43Å; I482-T604 HydrophobicContact CD1-CG2 4.4Å; I482-T604 WeakPolarHBondContact CD1-OG1 3.48Å; I482-T604 HydrophobicContact CG2-CG2 4.11Å
483	I	96.8	Very high	95	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	146.9	169.1	61.8	165.7	0	0	0	110.4	Y465 W468 E471 R472 V473 V485 F524 L525 I527	Y465-I483 HydrophobicContact CE2-CD1 3.86Å; W468-I483 HydrophobicContact CE3-CD1 4.26Å; W468-I483 HydrophobicContact CH2-CD1 3.79Å; W468-I483 HydrophobicContact CZ3-CD1 3.55Å; E471-I483 HydrophobicContact CB-CG2 4.44Å; R472-I483 CarbonylContact O-C 3.55Å; R472-I483 VanDerWaalsContact O-CA 3.31Å; R472-I483 WeakPolarHBondContact O-CA 3.27Å; V473-I483 HydrophobicContact CG2-CG2 4.06Å; I483-V485 HydrophobicContact CD1-CG2 4.47Å; I483-F524 CarbonylContact O-C 3.59Å; I483-F524 WeakPolarHBondContact O-CA 3.47Å; I483-L525 HydrophobicContact CD1-CB 4.42Å; I483-L525 HydrophobicContact CD1-CD1 4.39Å; I483-L525 HydrophobicContact CG1-CB 3.91Å; I483-L525 PolarHBondContact N-O 2.96Å; I483-L525 PolarHBondContact O-N 3.11Å; I483-I527 HydrophobicContact CD1-CD1 3.64Å; I483-I527 HydrophobicContact CG1-CD1 3.77Å; I483-I527 HydrophobicContact CG2-CD1 4.08Å
484	L	96.3	Very high	94.9	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.052	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.4	173.5	166.2	58.5	0	0	0	109.9	R472 V474 L486 K522 F524 T608	R472-L484 WeakPolarHBondContact CB-O 3.46Å; R472-L484 HydrophobicContact CG-CB 4.49Å; R472-L484 PolarHBondContact NH1-O 3.08Å; R472-L484 PolarHBondContact O-N 2.96Å; V474-L484 HydrophobicContact CG1-CB 3.69Å; V474-L484 HydrophobicContact CG1-CD2 4.31Å; V474-L484 HydrophobicContact CG2-CB 4.14Å; L484-L486 HydrophobicContact CD1-CD2 4.02Å; L484-L486 HydrophobicContact CD2-CD2 4.36Å; L484-L486 HydrophobicContact CG-CD2 4.23Å; L484-L486 HydrophobicContact CG-CG 4.48Å; L484-K522 HydrophobicContact CD1-CB 3.83Å; L484-F524 HydrophobicContact CB-CD1 4.23Å; L484-F524 HydrophobicContact CB-CE1 4.19Å; L484-F524 HydrophobicContact CD1-CD1 4.29Å; L484-F524 HydrophobicContact CD1-CD2 4.22Å; L484-F524 HydrophobicContact CD1-CE1 4.03Å; L484-F524 HydrophobicContact CD1-CE2 3.94Å; L484-F524 HydrophobicContact CD1-CG 4.39Å; L484-F524 HydrophobicContact CD1-CZ 3.85Å; L484-F524 HydrophobicContact CD2-CE1 4.27Å; L484-F524 HydrophobicContact CD2-CZ 4.31Å; L484-F524 HydrophobicContact CG-CE1 4.39Å; L484-T608 HydrophobicContact CD2-CG2 3.78Å
485	V	95.6	Very high	94.8	Very high	4 Å²	4	66.2 Å²	66.2	2%	0.024	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.4	170.1	-174.4	0	0	0	0	109.6	W468 I483 D489 A493 V494 A497 T523 L525	W468-V485 HydrophobicContact CH2-CG2 3.94Å; W468-V485 HydrophobicContact CZ3-CG2 4.01Å; I483-V485 HydrophobicContact CD1-CG2 4.47Å; V485-D489 WeakPolarHBondContact CA-OD2 3.38Å; V485-D489 HydrophobicContact CG1-CB 4.31Å; V485-A493 HydrophobicContact CG1-CB 4.13Å; V485-V494 HydrophobicContact CG1-CG2 4.38Å; V485-A497 HydrophobicContact CB-CB 4.33Å; V485-A497 HydrophobicContact CG1-CB 4.13Å; V485-A497 HydrophobicContact CG2-CB 4.48Å; V485-T523 PolarHBondContact N-O 3.03Å; V485-T523 PolarHBondContact O-N 2.86Å; V485-L525 HydrophobicContact CG2-CD1 4.3Å
486	L	94.1	Very high	94.7	Very high	44 Å²	44	66.4 Å²	66.4	23%	0.23	31%	0.313	C	S	.	.			trans	-104.7	157.4	173.5	-64	-178	0	0	0	110.1	L484 D488 D489 K522	L484-L486 HydrophobicContact CD1-CD2 4.02Å; L484-L486 HydrophobicContact CD2-CD2 4.36Å; L484-L486 HydrophobicContact CG-CD2 4.23Å; L484-L486 HydrophobicContact CG-CG 4.48Å; L486-D488 PolarHBondContact O-N 3.18Å; L486-D489 PolarHBondContact N-OD2 3.09Å; L486-D489 VanDerWaalsContact O-CB 3.31Å; L486-D489 WeakPolarHBondContact O-CB 3.37Å; L486-D489 PolarHBondContact O-N 2.82Å; L486-D489 VanDerWaalsContact O-N 3.13Å; L486-K522 HydrophobicContact CD2-CB 4.43Å; L486-K522 HydrophobicContact CD2-CD 4.2Å; L486-K522 HydrophobicContact CD2-CG 3.79Å
487	P	91.9	Very high	94.6	Very high	49 Å²	49	60.1 Å²	60.1	32%	0.318	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.8	178.9	24.8	-33.5	0	0	0	113.3	D489 T519	P487-D489 VanDerWaalsContact C-N 3.31Å; P487-T519 WeakPolarHBondContact CG-O 3.22Å
488	D	92	Very high	94.4	Very high	149 Å²	149	60.4 Å²	60.4	80%	0.797	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-3.1	178	-48	-71.3	0	0	0	114	L486	L486-D488 PolarHBondContact O-N 3.18Å
489	D	93.8	Very high	94.4	Very high	30 Å²	30	52.4 Å²	52.4	16%	0.16	26%	0.259	C	S	.	.	S	Bend	trans	-68.2	157.3	178.6	-79.1	-28.6	0	0	0	112.3	R472 V485 L486 P487 K491 A493 V494	R472-D489 IonicContact CZ-OD1 2.92Å; R472-D489 IonicContact CZ-OD2 3.5Å; R472-D489 IonicContact NH1-OD1 3.45Å; R472-D489 PolarHBondContact NH1-OD1 3.1Å; R472-D489 IonicContact NH1-OD2 2.68Å; R472-D489 PolarHBondContact NH1-OD2 3.15Å; R472-D489 IonicContact NH2-OD1 2.69Å; R472-D489 PolarHBondContact NH2-OD1 2.68Å; R472-D489 IonicContact NH2-OD2 3.06Å; V485-D489 WeakPolarHBondContact CA-OD2 3.38Å; V485-D489 HydrophobicContact CG1-CB 4.31Å; L486-D489 PolarHBondContact N-OD2 3.09Å; L486-D489 VanDerWaalsContact O-CB 3.31Å; L486-D489 WeakPolarHBondContact O-CB 3.37Å; L486-D489 PolarHBondContact O-N 2.82Å; L486-D489 VanDerWaalsContact O-N 3.13Å; P487-D489 VanDerWaalsContact C-N 3.31Å; D489-K491 PolarHBondContact O-N 2.92Å; D489-A493 HydrophobicContact CB-CB 4.24Å; D489-V494 HydrophobicContact CB-CG2 4.22Å; D489-V494 WeakPolarHBondContact O-CG2 3.01Å
490	P	95	Very high	94.3	Very high	66 Å²	66	51.5 Å²	51.5	43%	0.429	26%	0.255	S	S	.	.			trans	-55.5	137.4	179.3	23.4	-36.2	0	0	0	112.1	Y492 A493	P490-Y492 HydrophobicContact CB-CD1 3.94Å; P490-Y492 HydrophobicContact CB-CE1 3.52Å; P490-Y492 HydrophobicContact CG-CD1 4.32Å; P490-Y492 HydrophobicContact CG-CE1 3.59Å; P490-Y492 HydrophobicContact CG-CE2 4.21Å; P490-Y492 PolarHBondContact O-N 3.45Å; P490-A493 WeakPolarHBondContact O-CB 3.32Å; P490-A493 PolarHBondContact O-N 3.3Å
491	K	93.4	Very high	94.1	Very high	188 Å²	188	53.6 Å²	53.6	82%	0.817	26%	0.259	S	S	*	.	H	α-helix	trans	-49.5	-23	-168	-62.3	-176.1	178.7	-177.4	0	116.4	D489 K495	D489-K491 PolarHBondContact O-N 2.92Å; K491-K495 WeakPolarHBondContact O-CB 3.48Å; K491-K495 PolarHBondContact O-N 2.9Å
492	Y	93.7	Very high	93.9	Very high	109 Å²	109	57.7 Å²	57.7	43%	0.427	27%	0.273	S	S	.	.	H	α-helix	trans	-68.6	-35.1	173.7	63	-102.6	0	0	0	113	W468 P490 K496	W468-Y492 HydrophobicContact CB-CE2 3.88Å; W468-Y492 AromaticContact CD1-CD2 3.89Å; W468-Y492 AromaticContact CD1-CE2 3.81Å; W468-Y492 HydrophobicContact CD2-CD2 4.05Å; W468-Y492 AromaticContact CD2-CE2 3.69Å; W468-Y492 HydrophobicContact CD2-CE2 3.69Å; W468-Y492 AromaticContact CE2-CD2 3.98Å; W468-Y492 HydrophobicContact CE3-CE2 4.2Å; W468-Y492 HydrophobicContact CG-CD2 4.03Å; W468-Y492 AromaticContact CG-CE2 3.52Å; W468-Y492 HydrophobicContact CG-CE2 3.52Å; W468-Y492 AromaticContact NE1-CD2 3.86Å; P490-Y492 HydrophobicContact CB-CD1 3.94Å; P490-Y492 HydrophobicContact CB-CE1 3.52Å; P490-Y492 HydrophobicContact CG-CD1 4.32Å; P490-Y492 HydrophobicContact CG-CE1 3.59Å; P490-Y492 HydrophobicContact CG-CE2 4.21Å; P490-Y492 PolarHBondContact O-N 3.45Å; Y492-K496 WeakPolarHBondContact O-CB 3.4Å; Y492-K496 PolarHBondContact O-N 3.03Å; Y492-K496 VanDerWaalsContact O-N 3.16Å
493	A	94.3	Very high	93.6	Very high	2 Å²	2	58.7 Å²	58.7	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-73.6	-50.4	178.9	0	0	0	0	0	110.6	W468 V485 D489 P490 K495 K496 A497	W468-A493 HydrophobicContact CE3-CB 4.05Å; W468-A493 HydrophobicContact CH2-CB 3.52Å; W468-A493 HydrophobicContact CZ2-CB 4.05Å; W468-A493 HydrophobicContact CZ3-CB 3.51Å; V485-A493 HydrophobicContact CG1-CB 4.13Å; D489-A493 HydrophobicContact CB-CB 4.24Å; P490-A493 WeakPolarHBondContact O-CB 3.32Å; P490-A493 PolarHBondContact O-N 3.3Å; A493-K495 VanDerWaalsContact C-N 3.34Å; A493-K495 PolarHBondContact O-N 3.04Å; A493-K496 PolarHBondContact O-N 3.4Å; A493-K496 VanDerWaalsContact O-N 3.11Å; A493-A497 PolarHBondContact O-N 3.31Å
494	V	93.4	Very high	93.3	Very high	37 Å²	37	58.7 Å²	58.7	22%	0.224	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-44.7	175.8	-177.5	0	0	0	0	111	V485 D489 K496 A497 E498	V485-V494 HydrophobicContact CG1-CG2 4.38Å; D489-V494 HydrophobicContact CB-CG2 4.22Å; D489-V494 WeakPolarHBondContact O-CG2 3.01Å; V494-K496 VanDerWaalsContact C-N 3.33Å; V494-K496 PolarHBondContact O-N 3.48Å; V494-A497 PolarHBondContact O-N 2.9Å; V494-E498 PolarHBondContact O-N 2.71Å
495	K	93.6	Very high	92.9	Very high	158 Å²	158	58.6 Å²	58.6	69%	0.687	28%	0.278	S	S	*	.	H	α-helix	trans	-62.2	-36.2	175.9	-175	179.5	177.4	-173.6	0	112.9	K491 A493 E499	K491-K495 WeakPolarHBondContact O-CB 3.48Å; K491-K495 PolarHBondContact O-N 2.9Å; A493-K495 VanDerWaalsContact C-N 3.34Å; A493-K495 PolarHBondContact O-N 3.04Å; K495-E499 WeakPolarHBondContact O-CB 3.45Å; K495-E499 PolarHBondContact O-N 2.77Å
496	K	94.4	Very high	92.6	Very high	26 Å²	26	63.6 Å²	63.6	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-72.3	-38.7	176.2	-167.5	73.5	-161.1	173.7	0	111.6	D461 S462 K464 W468 Y492 A493 V494 E499 V500	D461-K496 PolarHBondContact O-NZ 3.4Å; D461-K496 VanDerWaalsContact O-NZ 3.15Å; S462-K496 VanDerWaalsContact C-NZ 3.34Å; S462-K496 WeakPolarHBondContact O-CE 3.43Å; S462-K496 PolarHBondContact O-NZ 2.77Å; K464-K496 WeakPolarHBondContact O-CE 3.32Å; K464-K496 PolarHBondContact O-NZ 2.76Å; K464-K496 VanDerWaalsContact O-NZ 3.09Å; W468-K496 HydrophobicContact CZ2-CB 3.96Å; W468-K496 HydrophobicContact CZ2-CG 4.26Å; Y492-K496 WeakPolarHBondContact O-CB 3.4Å; Y492-K496 PolarHBondContact O-N 3.03Å; Y492-K496 VanDerWaalsContact O-N 3.16Å; A493-K496 PolarHBondContact O-N 3.4Å; A493-K496 VanDerWaalsContact O-N 3.11Å; V494-K496 VanDerWaalsContact C-N 3.33Å; V494-K496 PolarHBondContact O-N 3.48Å; K496-E499 WeakPolarHBondContact CD-OE2 3.46Å; K496-E499 WeakPolarHBondContact CE-OE2 3.23Å; K496-E499 IonicContact NZ-OE2 2.62Å; K496-E499 PolarHBondContact NZ-OE2 3.11Å; K496-E499 PolarHBondContact O-N 2.9Å; K496-V500 WeakPolarHBondContact O-CG2 3.06Å; K496-V500 PolarHBondContact O-N 3.14Å
497	A	93.6	Very high	92.2	Very high	6 Å²	6	65 Å²	65	5%	0.05	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-43	172.4	0	0	0	0	0	111.5	V485 A493 V494 R501 T523	V485-A497 HydrophobicContact CB-CB 4.33Å; V485-A497 HydrophobicContact CG1-CB 4.13Å; V485-A497 HydrophobicContact CG2-CB 4.48Å; A493-A497 PolarHBondContact O-N 3.31Å; V494-A497 PolarHBondContact O-N 2.9Å; A497-R501 VanDerWaalsContact O-CB 3.23Å; A497-R501 WeakPolarHBondContact O-CB 3.48Å; A497-R501 PolarHBondContact O-N 3.39Å; A497-T523 HydrophobicContact CB-CG2 3.91Å
498	E	92.4	Very high	91.8	Very high	76 Å²	76	64.9 Å²	64.9	36%	0.355	31%	0.306	S	S	.	.	H	α-helix	trans	-61.3	-41.8	171.1	-85.6	-168.8	-126.3	0	0	113.4	V494 R501 R502	V494-E498 PolarHBondContact O-N 2.71Å; E498-R501 PolarHBondContact O-N 2.92Å; E498-R502 WeakPolarHBondContact O-CD 3.46Å; E498-R502 WeakPolarHBondContact O-CG 3.17Å; E498-R502 PolarHBondContact O-N 3.31Å; E498-R502 IonicContact OE2-CZ 2.65Å; E498-R502 IonicContact OE2-NE 3.74Å; E498-R502 IonicContact OE2-NH2 2.72Å; E498-R502 PolarHBondContact OE2-NH2 3.01Å
499	E	93.4	Very high	91.1	Very high	64 Å²	64	60.8 Å²	60.8	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-51	178.4	178.9	171.8	-131.1	0	0	110.7	S462 K495 K496 R501 R502 I503	S462-E499 PolarHBondContact OG-OE1 2.68Å; K495-E499 WeakPolarHBondContact O-CB 3.45Å; K495-E499 PolarHBondContact O-N 2.77Å; K496-E499 WeakPolarHBondContact CD-OE2 3.46Å; K496-E499 WeakPolarHBondContact CE-OE2 3.23Å; K496-E499 IonicContact NZ-OE2 2.62Å; K496-E499 PolarHBondContact NZ-OE2 3.11Å; K496-E499 PolarHBondContact O-N 2.9Å; E499-R501 PolarHBondContact O-N 2.83Å; E499-R502 PolarHBondContact O-N 3.48Å; E499-I503 WeakPolarHBondContact O-CG1 3.42Å; E499-I503 PolarHBondContact O-N 3.46Å
500	V	93.9	Very high	90	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-37.1	177	178.8	0	0	0	0	111.5	K496 R502 I503 A504 L525 V533 C536 W587	K496-V500 WeakPolarHBondContact O-CG2 3.06Å; K496-V500 PolarHBondContact O-N 3.14Å; V500-R502 VanDerWaalsContact C-N 3.33Å; V500-R502 PolarHBondContact O-N 3.37Å; V500-I503 WeakPolarHBondContact O-CB 3.18Å; V500-I503 PolarHBondContact O-N 2.87Å; V500-I503 VanDerWaalsContact O-N 3.16Å; V500-A504 PolarHBondContact O-N 2.78Å; V500-L525 HydrophobicContact CB-CD2 4.47Å; V500-L525 HydrophobicContact CG1-CD2 4.26Å; V500-V533 HydrophobicContact CG1-CG1 3.88Å; V500-V533 HydrophobicContact CG2-CB 4.23Å; V500-V533 HydrophobicContact CG2-CG1 4.1Å; V500-V533 HydrophobicContact CG2-CG2 4.43Å; V500-C536 HydrophobicContact CG1-CB 3.72Å; V500-W587 HydrophobicContact CG1-CZ3 4.31Å
501	R	91.3	Very high	88.1	Confident	54 Å²	54	64.5 Å²	64.5	20%	0.204	31%	0.309	C	S	.	.	H	α-helix	trans	-59	-42.7	173.5	-174.3	-175.2	62	82.6	-10.9	111.5	A497 E498 E499 I503 A504 D505	A497-R501 VanDerWaalsContact O-CB 3.23Å; A497-R501 WeakPolarHBondContact O-CB 3.48Å; A497-R501 PolarHBondContact O-N 3.39Å; E498-R501 PolarHBondContact O-N 2.92Å; E499-R501 PolarHBondContact O-N 2.83Å; R501-I503 VanDerWaalsContact C-N 3.3Å; R501-I503 PolarHBondContact O-N 2.88Å; R501-A504 PolarHBondContact O-N 2.92Å; R501-D505 WeakPolarHBondContact CG-OD2 3.41Å; R501-D505 IonicContact CZ-OD2 3.69Å; R501-D505 IonicContact NH1-OD2 2.73Å; R501-D505 PolarHBondContact NH1-OD2 3.39Å; R501-D505 WeakPolarHBondContact O-CB 3.39Å; R501-D505 PolarHBondContact O-N 2.98Å
502	R	90.8	Very high	86.1	Confident	139 Å²	139	63.9 Å²	63.9	53%	0.525	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-33.8	176.4	-67.8	160.6	-164.2	-119.1	6.2	112.3	E498 E499 V500 N506	E498-R502 WeakPolarHBondContact O-CD 3.46Å; E498-R502 WeakPolarHBondContact O-CG 3.17Å; E498-R502 PolarHBondContact O-N 3.31Å; E498-R502 IonicContact OE2-CZ 2.65Å; E498-R502 IonicContact OE2-NE 3.74Å; E498-R502 IonicContact OE2-NH2 2.72Å; E498-R502 PolarHBondContact OE2-NH2 3.01Å; E499-R502 PolarHBondContact O-N 3.48Å; V500-R502 VanDerWaalsContact C-N 3.33Å; V500-R502 PolarHBondContact O-N 3.37Å; R502-N506 VanDerWaalsContact O-CB 3.31Å; R502-N506 WeakPolarHBondContact O-CB 3.46Å; R502-N506 PolarHBondContact O-N 2.66Å; R502-N506 PolarHBondContact O-ND2 2.96Å; R502-N506 PolarHBondContact O-OD1 3.33Å
503	I	91.2	Very high	84.3	Confident	20 Å²	20	61.9 Å²	61.9	10%	0.103	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-48.7	172.6	-56.4	167.6	0	0	0	110	F459 I463 E499 V500 R501 N506 E507 W587	F459-I503 HydrophobicContact CD2-CG2 3.97Å; F459-I503 HydrophobicContact CE2-CG2 3.53Å; I463-I503 HydrophobicContact CG2-CD1 3.58Å; E499-I503 WeakPolarHBondContact O-CG1 3.42Å; E499-I503 PolarHBondContact O-N 3.46Å; V500-I503 WeakPolarHBondContact O-CB 3.18Å; V500-I503 PolarHBondContact O-N 2.87Å; V500-I503 VanDerWaalsContact O-N 3.16Å; R501-I503 VanDerWaalsContact C-N 3.3Å; R501-I503 PolarHBondContact O-N 2.88Å; I503-N506 PolarHBondContact O-N 2.8Å; I503-E507 PolarHBondContact O-N 3.48Å; I503-W587 HydrophobicContact CG2-CZ2 4.28Å
504	A	90.7	Very high	82.8	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-46	178.5	0	0	0	0	0	112.3	V500 R501 N506 E507 L508 W587	V500-A504 PolarHBondContact O-N 2.78Å; R501-A504 PolarHBondContact O-N 2.92Å; A504-N506 VanDerWaalsContact C-N 3.34Å; A504-N506 PolarHBondContact O-N 3.24Å; A504-E507 PolarHBondContact O-N 2.83Å; A504-L508 VanDerWaalsContact O-CB 3.3Å; A504-L508 WeakPolarHBondContact O-CB 3.46Å; A504-L508 WeakPolarHBondContact O-CD1 3.35Å; A504-L508 WeakPolarHBondContact O-CG 3.26Å; A504-L508 PolarHBondContact O-N 3.4Å; A504-W587 HydrophobicContact CB-CB 3.57Å; A504-W587 HydrophobicContact CB-CD2 4.01Å; A504-W587 HydrophobicContact CB-CG 3.54Å
505	D	88.8	Confident	81.7	Confident	8 Å²	8	66.5 Å²	66.5	4%	0.043	34%	0.335	C	S	.	.	H	α-helix	trans	-59.6	-43.2	175	-74.1	-39.8	0	0	0	111.1	R501 L508 G509 F510 R585	R501-D505 WeakPolarHBondContact CG-OD2 3.41Å; R501-D505 IonicContact CZ-OD2 3.69Å; R501-D505 IonicContact NH1-OD2 2.73Å; R501-D505 PolarHBondContact NH1-OD2 3.39Å; R501-D505 WeakPolarHBondContact O-CB 3.39Å; R501-D505 PolarHBondContact O-N 2.98Å; D505-L508 PolarHBondContact O-N 2.88Å; D505-G509 CarbonylContact O-C 3.44Å; D505-G509 PolarHBondContact O-N 2.92Å; D505-F510 HydrophobicContact CB-CB 4.12Å; D505-F510 PolarHBondContact O-N 3.1Å; D505-R585 IonicContact OD1-CZ 3.71Å; D505-R585 IonicContact OD1-NE 2.78Å; D505-R585 PolarHBondContact OD1-NE 3.22Å; D505-R585 IonicContact OD1-NH2 3.76Å
506	N	88.4	Confident	80.4	Confident	110 Å²	110	61.9 Å²	61.9	59%	0.588	32%	0.323	S	S	*	.	H	α-helix	trans	-65.2	-42.5	176.3	-71.4	-16.6	0	0	0	112.9	R502 I503 A504 L508 G509	R502-N506 VanDerWaalsContact O-CB 3.31Å; R502-N506 WeakPolarHBondContact O-CB 3.46Å; R502-N506 PolarHBondContact O-N 2.66Å; R502-N506 PolarHBondContact O-ND2 2.96Å; R502-N506 PolarHBondContact O-OD1 3.33Å; I503-N506 PolarHBondContact O-N 2.8Å; A504-N506 VanDerWaalsContact C-N 3.34Å; A504-N506 PolarHBondContact O-N 3.24Å; N506-L508 VanDerWaalsContact C-N 3.3Å; N506-L508 PolarHBondContact O-N 3.32Å; N506-G509 PolarHBondContact O-N 3.07Å
507	E	87.3	Confident	79.3	Confident	72 Å²	72	65.3 Å²	65.3	34%	0.336	34%	0.335	S	S	.	.	H	α-helix	trans	-67.4	-29	176.3	-92.7	-167.8	-141	0	0	112.9	I503 A504 W587 R593	I503-E507 PolarHBondContact O-N 3.48Å; A504-E507 PolarHBondContact O-N 2.83Å; E507-W587 WeakPolarHBondContact OE1-CZ2 3.47Å; E507-W587 PolarHBondContact OE2-NE1 2.91Å; E507-R593 IonicContact OE2-NH2 2.76Å; E507-R593 PolarHBondContact OE2-NH2 3.11Å
508	L	82.8	Confident	78.6	Confident	48 Å²	48	68.7 Å²	68.7	25%	0.251	36%	0.357	S	S	.	.	H	α-helix	trans	-90.1	-7.7	178.5	-65.7	168.2	0	0	0	113.2	A504 D505 N506 F510 T626	A504-L508 VanDerWaalsContact O-CB 3.3Å; A504-L508 WeakPolarHBondContact O-CB 3.46Å; A504-L508 WeakPolarHBondContact O-CD1 3.35Å; A504-L508 WeakPolarHBondContact O-CG 3.26Å; A504-L508 PolarHBondContact O-N 3.4Å; D505-L508 PolarHBondContact O-N 2.88Å; N506-L508 VanDerWaalsContact C-N 3.3Å; N506-L508 PolarHBondContact O-N 3.32Å; L508-F510 HydrophobicContact CB-CD2 3.57Å; L508-F510 HydrophobicContact CB-CE2 3.75Å; L508-F510 HydrophobicContact CD1-CD2 4.19Å; L508-F510 HydrophobicContact CD1-CE2 4.04Å; L508-F510 HydrophobicContact CG-CE2 4.47Å; L508-T626 HydrophobicContact CD2-CG2 4.19Å
509	G	77.1	Confident	78.2	Confident	62 Å²	62	70.2 Å²	70.2	64%	0.639	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	5.4	-178.9	0	0	0	0	0	115.6	D505 N506 Q511	D505-G509 CarbonylContact O-C 3.44Å; D505-G509 PolarHBondContact O-N 2.92Å; N506-G509 PolarHBondContact O-N 3.07Å; G509-Q511 VanDerWaalsContact C-N 3.34Å; G509-Q511 PolarHBondContact O-N 3.37Å
510	F	70	Confident	77.8	Confident	35 Å²	35	71.5 Å²	71.5	15%	0.154	38%	0.378	C	S	.	.			trans	-75.9	76.9	-179.4	-66.9	-59.4	0	0	0	112.3	D505 L508 Q512 V513	D505-F510 HydrophobicContact CB-CB 4.12Å; D505-F510 PolarHBondContact O-N 3.1Å; L508-F510 HydrophobicContact CB-CD2 3.57Å; L508-F510 HydrophobicContact CB-CE2 3.75Å; L508-F510 HydrophobicContact CD1-CD2 4.19Å; L508-F510 HydrophobicContact CD1-CE2 4.04Å; L508-F510 HydrophobicContact CG-CE2 4.47Å; F510-Q512 PolarHBondContact O-N 3.22Å; F510-Q512 VanDerWaalsContact O-N 3.1Å; F510-V513 HydrophobicContact CD1-CG2 4.13Å
511	Q	56.2	Low	77.7	Confident	140 Å²	140	71.8 Å²	71.8	65%	0.654	38%	0.38	S	S	*	.	S	Bend	trans	-63.4	-20.3	-173.7	-172.6	55.7	97.6	0	0	114.8	G509	G509-Q511 VanDerWaalsContact C-N 3.34Å; G509-Q511 PolarHBondContact O-N 3.37Å
512	Q	50.9	Low	77.8	Confident	175 Å²	175	72 Å²	72	82%	0.818	38%	0.382	S	S	*	.	S	Bend	trans	-156.1	11	-175.8	-132.7	150.8	96.5	0	0	118.1	F510 T514	F510-Q512 PolarHBondContact O-N 3.22Å; F510-Q512 VanDerWaalsContact O-N 3.1Å; Q512-T514 PolarHBondContact O-N 3.46Å; Q512-T514 VanDerWaalsContact O-N 3.15Å
513	V	56.8	Low	78	Confident	66 Å²	66	66.1 Å²	66.1	40%	0.4	36%	0.362	S	S	.	.			trans	-75.9	106.8	-177.2	-179.3	0	0	0	0	111.1	F510 R585	F510-V513 HydrophobicContact CD1-CG2 4.13Å; V513-R585 PolarHBondContact O-NH2 2.83Å
514	T	62.5	Low	78.3	Confident	117 Å²	117	65.2 Å²	65.2	72%	0.718	36%	0.357	S	S	*	.			trans	-67.6	143.8	167.1	45.9	0	0	0	0	111	Q512	Q512-T514 PolarHBondContact O-N 3.46Å; Q512-T514 VanDerWaalsContact O-N 3.15Å
515	L	68.9	Low	78.6	Confident	19 Å²	19	65.1 Å²	65.1	10%	0.099	36%	0.357	C	S	.	.			trans	-57.4	142.1	169	-56	172.3	0	0	0	109.7	R517 P518 A521 V538 S584	L515-R517 PolarHBondContact O-N 2.93Å; L515-P518 HydrophobicContact CB-CB 4.3Å; L515-P518 HydrophobicContact CD1-CB 4.39Å; L515-P518 WeakPolarHBondContact O-CD 3.41Å; L515-A521 HydrophobicContact CD1-CB 3.82Å; L515-V538 HydrophobicContact CD1-CG1 3.81Å; L515-V538 HydrophobicContact CD2-CG1 3.85Å; L515-S584 WeakPolarHBondContact CD2-OG 3.38Å
516	S	68	Low	79.1	Confident	62 Å²	62	64.8 Å²	64.8	43%	0.434	36%	0.355	S	S	.	.	S	Bend	trans	-68.1	-35.9	-175.3	-59.1	0	0	0	0	112	E540 N646	S516-E540 PolarHBondContact N-OE2 3.1Å; S516-N646 PolarHBondContact OG-OD1 2.9Å
517	R	70.9	Confident	79.5	Confident	97 Å²	97	59.9 Å²	59.9	37%	0.366	33%	0.329	S	S	.	.			trans	-133.6	83.7	168	-85	171.2	-75.8	121.2	6.2	112.4	L515 T519 Q520 A521 E540 P541	L515-R517 PolarHBondContact O-N 2.93Å; R517-T519 PolarHBondContact O-N 3.3Å; R517-Q520 HydrophobicContact CB-CB 4.35Å; R517-Q520 PolarHBondContact O-N 3.23Å; R517-A521 PolarHBondContact O-N 3.36Å; R517-E540 PolarHBondContact N-OE2 2.79Å; R517-E540 VanDerWaalsContact N-OE2 3.16Å; R517-P541 PolarHBondContact NH1-O 2.78Å; R517-P541 PolarHBondContact NH2-O 2.63Å
518	P	78.8	Confident	79.8	Confident	78 Å²	78	58.4 Å²	58.4	51%	0.506	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-65.8	-25.8	-176.6	28	-34.3	0	0	0	113	L515 Q520 A521	L515-P518 HydrophobicContact CB-CB 4.3Å; L515-P518 HydrophobicContact CD1-CB 4.39Å; L515-P518 WeakPolarHBondContact O-CD 3.41Å; P518-Q520 PolarHBondContact O-N 2.74Å; P518-A521 PolarHBondContact O-N 3.25Å
519	T	82.7	Confident	80.3	Confident	108 Å²	108	60.4 Å²	60.4	66%	0.663	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-72.4	-8.6	175.2	49.6	0	0	0	0	114.1	P487 R517	P487-T519 WeakPolarHBondContact CG-O 3.22Å; R517-T519 PolarHBondContact O-N 3.3Å
520	Q	85.9	Confident	81	Confident	91 Å²	91	62.9 Å²	62.9	43%	0.425	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-121.8	3.1	177.2	-62.9	-179.8	-16.8	0	0	112.2	R517 P518 P541	R517-Q520 HydrophobicContact CB-CB 4.35Å; R517-Q520 PolarHBondContact O-N 3.23Å; P518-Q520 PolarHBondContact O-N 2.74Å; Q520-P541 HydrophobicContact CB-CG 3.8Å; Q520-P541 WeakPolarHBondContact O-CD 3.32Å
521	A	91.1	Very high	82.2	Confident	6 Å²	6	68.6 Å²	68.6	5%	0.05	36%	0.357	C	S	.	.			trans	-79.7	125	-176	0	0	0	0	0	111.9	L515 R517 P518 V538 A539	L515-A521 HydrophobicContact CD1-CB 3.82Å; R517-A521 PolarHBondContact O-N 3.36Å; P518-A521 PolarHBondContact O-N 3.25Å; A521-V538 HydrophobicContact CB-CG1 3.96Å; A521-A539 CarbonylContact C-O 3.24Å; A521-A539 WeakPolarHBondContact CA-O 3.33Å
522	K	94.3	Very high	84	Confident	57 Å²	57	64.2 Å²	64.2	25%	0.248	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	116.3	176.4	-63.3	-169.7	179.9	-178.8	0	108.8	L484 L486 F524 A539 F609	L484-K522 HydrophobicContact CD1-CB 3.83Å; L486-K522 HydrophobicContact CD2-CB 4.43Å; L486-K522 HydrophobicContact CD2-CD 4.2Å; L486-K522 HydrophobicContact CD2-CG 3.79Å; K522-F524 HydrophobicContact CB-CE2 3.81Å; K522-A539 PolarHBondContact N-O 2.91Å; K522-A539 PolarHBondContact O-N 2.9Å; K522-F609 HydrophobicContact CD-CD2 3.89Å; K522-F609 HydrophobicContact CD-CE2 4.02Å; K522-F609 HydrophobicContact CG-CE2 4.37Å; K522-F609 PolarHBondContact NZ-O 3.44Å
523	T	95.8	Very high	86.1	Confident	17 Å²	17	55.9 Å²	55.9	10%	0.104	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.9	-177.8	-57.1	0	0	0	0	110.7	V485 A497 L525 L537 V538	V485-T523 PolarHBondContact N-O 3.03Å; V485-T523 PolarHBondContact O-N 2.86Å; A497-T523 HydrophobicContact CB-CG2 3.91Å; T523-L525 HydrophobicContact CG2-CD2 3.87Å; T523-L525 HydrophobicContact CG2-CG 4.29Å; T523-L537 CarbonylContact C-O 3.59Å; T523-L537 WeakPolarHBondContact CA-O 3.48Å; T523-V538 HydrophobicContact CG2-CG2 4.15Å
524	F	97.2	Very high	88	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.7	175.7	-61.5	-102.4	0	0	0	109.1	V474 I482 I483 L484 K522 L537 A539 M601 T604 V605 T608	V474-F524 HydrophobicContact CG2-CD1 4.22Å; V474-F524 HydrophobicContact CG2-CE1 4.41Å; I482-F524 HydrophobicContact CG2-CB 4.14Å; I482-F524 HydrophobicContact CG2-CD1 4.16Å; I483-F524 CarbonylContact O-C 3.59Å; I483-F524 WeakPolarHBondContact O-CA 3.47Å; L484-F524 HydrophobicContact CB-CD1 4.23Å; L484-F524 HydrophobicContact CB-CE1 4.19Å; L484-F524 HydrophobicContact CD1-CD1 4.29Å; L484-F524 HydrophobicContact CD1-CD2 4.22Å; L484-F524 HydrophobicContact CD1-CE1 4.03Å; L484-F524 HydrophobicContact CD1-CE2 3.94Å; L484-F524 HydrophobicContact CD1-CG 4.39Å; L484-F524 HydrophobicContact CD1-CZ 3.85Å; L484-F524 HydrophobicContact CD2-CE1 4.27Å; L484-F524 HydrophobicContact CD2-CZ 4.31Å; L484-F524 HydrophobicContact CG-CE1 4.39Å; K522-F524 HydrophobicContact CB-CE2 3.81Å; F524-L537 HydrophobicContact CB-CB 4.39Å; F524-L537 PolarHBondContact N-O 2.89Å; F524-L537 PolarHBondContact O-N 2.95Å; F524-A539 HydrophobicContact CE2-CB 4.33Å; F524-M601 HydrophobicContact CB-CE 4.09Å; F524-M601 WeakPolarHBondContact O-CE 3.47Å; F524-T604 HydrophobicContact CD1-CG2 4.35Å; F524-T604 HydrophobicContact CE1-CG2 4.37Å; F524-V605 HydrophobicContact CD1-CG2 4.39Å; F524-V605 HydrophobicContact CD2-CG2 3.69Å; F524-V605 HydrophobicContact CE1-CG2 4.32Å; F524-V605 HydrophobicContact CE2-CB 4.47Å; F524-V605 HydrophobicContact CE2-CG2 3.64Å; F524-V605 HydrophobicContact CG-CG2 4.09Å; F524-V605 HydrophobicContact CZ-CB 4.45Å; F524-V605 HydrophobicContact CZ-CG2 3.96Å; F524-T608 HydrophobicContact CE1-CG2 4.48Å
525	L	97.3	Very high	89.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.1	178.1	-57.1	178.2	0	0	0	109.5	I482 I483 V485 V500 T523 V533 G535 C536	I482-L525 WeakPolarHBondContact CA-O 3.18Å; I483-L525 HydrophobicContact CD1-CB 4.42Å; I483-L525 HydrophobicContact CD1-CD1 4.39Å; I483-L525 HydrophobicContact CG1-CB 3.91Å; I483-L525 PolarHBondContact N-O 2.96Å; I483-L525 PolarHBondContact O-N 3.11Å; V485-L525 HydrophobicContact CG2-CD1 4.3Å; V500-L525 HydrophobicContact CB-CD2 4.47Å; V500-L525 HydrophobicContact CG1-CD2 4.26Å; T523-L525 HydrophobicContact CG2-CD2 3.87Å; T523-L525 HydrophobicContact CG2-CG 4.29Å; L525-V533 HydrophobicContact CB-CG1 4.07Å; L525-V533 HydrophobicContact CD2-CG1 4.14Å; L525-G535 WeakPolarHBondContact CA-O 3.44Å; L525-C536 HydrophobicContact CD2-CB 4.03Å
526	F	97.6	Very high	90.9	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.9	171.6	-168.9	-70.1	0	0	0	109.4	F477 I482 V533 V534 G535 I597 M601	F477-F526 AromaticContact CD2-CE2 3.86Å; F477-F526 HydrophobicContact CD2-CE2 3.86Å; F477-F526 HydrophobicContact CD2-CZ 4.44Å; F477-F526 HydrophobicContact CE2-CE2 4.28Å; I482-F526 HydrophobicContact CD1-CD2 3.94Å; I482-F526 HydrophobicContact CG1-CB 4.28Å; I482-F526 HydrophobicContact CG1-CD2 3.49Å; I482-F526 VanDerWaalsContact CG1-CD2 3.49Å; I482-F526 HydrophobicContact CG1-CE2 4.19Å; I482-F526 HydrophobicContact CG1-CG 4.2Å; F526-V533 CarbonylContact O-C 3.6Å; F526-V533 WeakPolarHBondContact O-CA 3.28Å; F526-V534 HydrophobicContact CD1-CG2 3.51Å; F526-V534 HydrophobicContact CE1-CG2 4.1Å; F526-V534 HydrophobicContact CG-CG2 4.44Å; F526-V534 PolarHBondContact O-N 2.86Å; F526-G535 PolarHBondContact N-O 2.9Å; F526-G535 PolarHBondContact O-N 2.87Å; F526-I597 HydrophobicContact CB-CG2 3.96Å; F526-I597 HydrophobicContact CD1-CG2 4.34Å; F526-I597 HydrophobicContact CD2-CG2 3.82Å; F526-I597 HydrophobicContact CE2-CG2 4.43Å; F526-I597 HydrophobicContact CG-CG2 3.79Å; F526-M601 HydrophobicContact CB-CE 4.25Å; F526-M601 HydrophobicContact CB-CG 4.35Å; F526-M601 HydrophobicContact CB-SD 3.91Å
527	I	96.8	Very high	92.2	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117.1	180	-61.5	157.1	0	0	0	108.6	Y465 G480 K481 I483 L532 V533	Y465-I527 HydrophobicContact CD1-CD1 3.78Å; Y465-I527 HydrophobicContact CD1-CG1 4.38Å; Y465-I527 HydrophobicContact CD1-CG2 4.07Å; Y465-I527 HydrophobicContact CD2-CD1 3.83Å; Y465-I527 HydrophobicContact CD2-CG1 4.28Å; Y465-I527 HydrophobicContact CE1-CD1 3.62Å; Y465-I527 HydrophobicContact CE2-CD1 3.69Å; Y465-I527 HydrophobicContact CG-CD1 3.87Å; Y465-I527 HydrophobicContact CG-CG1 4.18Å; Y465-I527 HydrophobicContact CG-CG2 4.27Å; G480-I527 CarbonylContact C-O 3.49Å; G480-I527 WeakPolarHBondContact CA-O 3.43Å; K481-I527 PolarHBondContact N-O 2.7Å; K481-I527 PolarHBondContact O-N 2.85Å; I483-I527 HydrophobicContact CD1-CD1 3.64Å; I483-I527 HydrophobicContact CG1-CD1 3.77Å; I483-I527 HydrophobicContact CG2-CD1 4.08Å; I527-L532 WeakPolarHBondContact CA-O 3.3Å; I527-V533 HydrophobicContact CG1-CG2 4.17Å
528	N	94.8	Very high	93.3	Very high	40 Å²	40	39.1 Å²	39.1	21%	0.214	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	161.8	173.5	-177.7	23.2	0	0	0	111.1	D479 D530 R531 L532 V534	D479-N528 PolarHBondContact O-OD1 3.2Å; N528-D530 PolarHBondContact ND2-OD2 3.42Å; N528-D530 PolarHBondContact O-N 3.42Å; N528-R531 WeakPolarHBondContact O-CA 3.3Å; N528-R531 PolarHBondContact O-N 2.9Å; N528-L532 PolarHBondContact N-O 3.31Å; N528-V534 HydrophobicContact CB-CG1 4.07Å; N528-V534 HydrophobicContact CB-CG2 4.02Å
529	T	93.3	Very high	94.1	Very high	91 Å²	91	35.4 Å²	35.4	56%	0.558	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-37.6	174.4	58.1	0	0	0	0	113	R531	T529-R531 PolarHBondContact O-N 3.21Å
530	D	91.9	Very high	94.6	Very high	114 Å²	114	30.3 Å²	30.3	61%	0.61	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-0.5	174.7	-59.8	-47.5	0	0	0	114.7	N528 L532	N528-D530 PolarHBondContact ND2-OD2 3.42Å; N528-D530 PolarHBondContact O-N 3.42Å; D530-L532 VanDerWaalsContact C-N 3.35Å; D530-L532 HydrophobicContact CB-CD1 4.47Å; D530-L532 HydrophobicContact CB-CG 4.27Å
531	R	93.6	Very high	95	Very high	155 Å²	155	27.7 Å²	27.7	59%	0.585	14%	0.141	S	C	*	.	S	Bend	trans	61.1	41.1	-175.7	-46.5	176.4	-177.5	-107.4	-6.8	112.6	Y465 N528 T529	Y465-R531 WeakPolarHBondContact CA-O 2.77Å; Y465-R531 VanDerWaalsContact CB-O 3.26Å; Y465-R531 WeakPolarHBondContact CB-O 3.42Å; Y465-R531 PolarHBondContact N-O 3.48Å; Y465-R531 WeakPolarHBondContact O-CB 3.46Å; N528-R531 WeakPolarHBondContact O-CA 3.3Å; N528-R531 PolarHBondContact O-N 2.9Å; T529-R531 PolarHBondContact O-N 3.21Å
532	L	94.4	Very high	95.1	Very high	47 Å²	47	28.3 Å²	28.3	25%	0.246	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-109.6	136.1	170.5	-59.1	-178.6	0	0	0	109.6	I463 K464 I527 N528 D530 V534	I463-L532 HydrophobicContact CD1-CB 4.3Å; I463-L532 HydrophobicContact CD1-CD1 4.42Å; I463-L532 HydrophobicContact CD1-CD2 4.48Å; I463-L532 HydrophobicContact CG1-CD2 4.43Å; K464-L532 HydrophobicContact CB-CD2 4.45Å; I527-L532 WeakPolarHBondContact CA-O 3.3Å; N528-L532 PolarHBondContact N-O 3.31Å; D530-L532 VanDerWaalsContact C-N 3.35Å; D530-L532 HydrophobicContact CB-CD1 4.47Å; D530-L532 HydrophobicContact CB-CG 4.27Å; L532-V534 HydrophobicContact CB-CG1 4.19Å; L532-V534 PolarHBondContact O-N 3.39Å
533	V	96.4	Very high	95	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	101.1	171.1	-176.7	0	0	0	0	108.4	I463 Y465 V500 L525 F526 I527 G535	I463-V533 WeakPolarHBondContact O-CB 3.25Å; I463-V533 WeakPolarHBondContact O-CG2 3.44Å; I463-V533 PolarHBondContact O-N 2.91Å; Y465-V533 HydrophobicContact CD2-CG2 4.27Å; V500-V533 HydrophobicContact CG1-CG1 3.88Å; V500-V533 HydrophobicContact CG2-CB 4.23Å; V500-V533 HydrophobicContact CG2-CG1 4.1Å; V500-V533 HydrophobicContact CG2-CG2 4.43Å; L525-V533 HydrophobicContact CB-CG1 4.07Å; L525-V533 HydrophobicContact CD2-CG1 4.14Å; F526-V533 CarbonylContact O-C 3.6Å; F526-V533 WeakPolarHBondContact O-CA 3.28Å; I527-V533 HydrophobicContact CG1-CG2 4.17Å; V533-G535 WeakPolarHBondContact CG1-O 3.47Å
534	V	95.7	Very high	94.8	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.048	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-6.7	-176.4	-64.4	0	0	0	0	113.3	F526 N528 L532 V588 F589 A592 I597	F526-V534 HydrophobicContact CD1-CG2 3.51Å; F526-V534 HydrophobicContact CE1-CG2 4.1Å; F526-V534 HydrophobicContact CG-CG2 4.44Å; F526-V534 PolarHBondContact O-N 2.86Å; N528-V534 HydrophobicContact CB-CG1 4.07Å; N528-V534 HydrophobicContact CB-CG2 4.02Å; L532-V534 HydrophobicContact CB-CG1 4.19Å; L532-V534 PolarHBondContact O-N 3.39Å; V534-V588 WeakPolarHBondContact O-CA 3.47Å; V534-F589 HydrophobicContact CB-CB 4.33Å; V534-F589 HydrophobicContact CG1-CD1 4.44Å; V534-F589 PolarHBondContact O-N 3.08Å; V534-A592 HydrophobicContact CB-CB 4.12Å; V534-I597 HydrophobicContact CG2-CD1 3.96Å
535	G	95.9	Very high	94.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	144.8	174.2	0	0	0	0	0	112.3	L525 F526 V533 W587	L525-G535 WeakPolarHBondContact CA-O 3.44Å; F526-G535 PolarHBondContact N-O 2.9Å; F526-G535 PolarHBondContact O-N 2.87Å; V533-G535 WeakPolarHBondContact CG1-O 3.47Å; G535-W587 CarbonylContact C-O 3.26Å; G535-W587 WeakPolarHBondContact CA-O 3.07Å
536	C	96.1	Very high	94.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	128.8	178.4	-175.2	0	0	0	0	109.4	V500 L525 W587	V500-C536 HydrophobicContact CG1-CB 3.72Å; L525-C536 HydrophobicContact CD2-CB 4.03Å; C536-W587 HydrophobicContact CB-CE3 3.85Å; C536-W587 PolarHBondContact N-O 3.25Å; C536-W587 PolarHBondContact O-N 3.02Å
537	L	96.1	Very high	94.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	124.2	177.5	-167.2	165.7	0	0	0	109	T523 F524 A539 I583 R585 I586 M601 L602 V605	T523-L537 CarbonylContact C-O 3.59Å; T523-L537 WeakPolarHBondContact CA-O 3.48Å; F524-L537 HydrophobicContact CB-CB 4.39Å; F524-L537 PolarHBondContact N-O 2.89Å; F524-L537 PolarHBondContact O-N 2.95Å; L537-A539 HydrophobicContact CD2-CB 4.08Å; L537-I583 HydrophobicContact CD2-CG2 4.15Å; L537-I583 HydrophobicContact CG-CG2 4.24Å; L537-R585 CarbonylContact C-O 3.48Å; L537-R585 VanDerWaalsContact CA-O 3.3Å; L537-R585 WeakPolarHBondContact CA-O 3.46Å; L537-I586 HydrophobicContact CD1-CD1 3.73Å; L537-I586 HydrophobicContact CD1-CG1 3.99Å; L537-I586 HydrophobicContact CG-CB 4.25Å; L537-I586 HydrophobicContact CG-CD1 4.36Å; L537-I586 HydrophobicContact CG-CG1 4.11Å; L537-M601 HydrophobicContact CB-CB 4.49Å; L537-M601 HydrophobicContact CB-CE 3.74Å; L537-M601 HydrophobicContact CB-SD 4.5Å; L537-M601 HydrophobicContact CD1-CB 3.79Å; L537-L602 HydrophobicContact CD1-CD2 3.73Å; L537-L602 HydrophobicContact CD1-CG 4.22Å; L537-V605 HydrophobicContact CD1-CG2 4.05Å; L537-V605 HydrophobicContact CD2-CG2 3.7Å; L537-V605 HydrophobicContact CG-CG2 4.49Å
538	V	94.7	Very high	93.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.6	177.2	-175.4	0	0	0	0	108.6	L515 A521 T523 S584 R585	L515-V538 HydrophobicContact CD1-CG1 3.81Å; L515-V538 HydrophobicContact CD2-CG1 3.85Å; A521-V538 HydrophobicContact CB-CG1 3.96Å; T523-V538 HydrophobicContact CG2-CG2 4.15Å; V538-S584 WeakPolarHBondContact O-CB 3.23Å; V538-S584 PolarHBondContact O-N 2.84Å; V538-R585 HydrophobicContact CB-CB 4.12Å; V538-R585 HydrophobicContact CG2-CB 4.17Å; V538-R585 PolarHBondContact N-O 2.94Å; V538-R585 PolarHBondContact O-N 3.4Å
539	A	95.1	Very high	93.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.6	178.5	0	0	0	0	0	110.8	A521 K522 F524 L537 G582 V605 F609	A521-A539 CarbonylContact C-O 3.24Å; A521-A539 WeakPolarHBondContact CA-O 3.33Å; K522-A539 PolarHBondContact N-O 2.91Å; K522-A539 PolarHBondContact O-N 2.9Å; F524-A539 HydrophobicContact CE2-CB 4.33Å; L537-A539 HydrophobicContact CD2-CB 4.08Å; A539-G582 CarbonylContact C-O 3.6Å; A539-G582 VanDerWaalsContact CA-O 3.27Å; A539-G582 WeakPolarHBondContact CA-O 3.41Å; A539-V605 HydrophobicContact CB-CG1 4.26Å; A539-F609 HydrophobicContact CB-CD2 3.87Å; A539-F609 HydrophobicContact CB-CE2 3.76Å
540	E	93.3	Very high	92.8	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.3	176.7	70.9	-167.3	135	0	0	110.9	S516 R517 I542 G582 S584 Y645	S516-E540 PolarHBondContact N-OE2 3.1Å; R517-E540 PolarHBondContact N-OE2 2.79Å; R517-E540 VanDerWaalsContact N-OE2 3.16Å; E540-I542 HydrophobicContact CG-CG2 4.41Å; E540-I542 PolarHBondContact O-N 2.76Å; E540-G582 PolarHBondContact N-O 2.86Å; E540-G582 WeakPolarHBondContact O-CA 3.21Å; E540-G582 PolarHBondContact O-N 3.46Å; E540-S584 WeakPolarHBondContact OE1-CB 3.49Å; E540-S584 PolarHBondContact OE1-OG 3.38Å; E540-Y645 HydrophobicContact CG-CE2 4.37Å; E540-Y645 WeakPolarHBondContact CG-OH 3.41Å; E540-Y645 PolarHBondContact OE1-OH 2.92Å
541	P	93.4	Very high	91.5	Very high	37 Å²	37	48.4 Å²	48.4	24%	0.24	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	126.9	-176.3	26.6	-31	0	0	0	110.6	R517 Q520 L580 F609	R517-P541 PolarHBondContact NH1-O 2.78Å; R517-P541 PolarHBondContact NH2-O 2.63Å; Q520-P541 HydrophobicContact CB-CG 3.8Å; Q520-P541 WeakPolarHBondContact O-CD 3.32Å; P541-L580 WeakPolarHBondContact CA-O 3.44Å; P541-F609 HydrophobicContact CB-CE1 4.23Å; P541-F609 HydrophobicContact CB-CZ 3.89Å
542	I	93.1	Very high	89.9	Confident	18 Å²	18	46 Å²	46	9%	0.092	22%	0.217	C	C	.	.			trans	-112.8	-175	178.6	61	175.6	0	0	0	110.6	E540 A545 A579 L580 A621 Y645	E540-I542 HydrophobicContact CG-CG2 4.41Å; E540-I542 PolarHBondContact O-N 2.76Å; I542-A545 HydrophobicContact CD1-CB 4.3Å; I542-A579 CarbonylContact C-O 3.56Å; I542-A579 VanDerWaalsContact C-O 3.26Å; I542-A579 HydrophobicContact CD1-CB 3.65Å; I542-A579 HydrophobicContact CG1-CB 4.07Å; I542-L580 PolarHBondContact N-O 2.7Å; I542-A621 HydrophobicContact CD1-CB 3.68Å; I542-Y645 HydrophobicContact CD1-CD1 4.23Å; I542-Y645 HydrophobicContact CD1-CG 4.21Å; I542-Y645 HydrophobicContact CG2-CD2 3.8Å; I542-Y645 HydrophobicContact CG2-CE2 3.71Å; I542-Y645 HydrophobicContact CG2-CG 4.41Å
543	R	91.9	Very high	87.8	Confident	217 Å²	217	51 Å²	51	82%	0.819	25%	0.245	S	C	*	.	S	Bend	trans	-134.8	-33.5	175.4	-72	-175.1	173.4	-175.8	-3.6	112.3	A579	R543-A579 CarbonylContact C-O 3.57Å; R543-A579 VanDerWaalsContact C-O 3.24Å; R543-A579 WeakPolarHBondContact CA-O 3.44Å; R543-A579 PolarHBondContact N-O 3.2Å; R543-A579 PolarHBondContact O-N 3.09Å
544	Q	92.8	Very high	85.5	Confident	115 Å²	115	57.1 Å²	57.1	54%	0.537	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.1	-176.8	-71.1	171	-42.8	0	0	109.2	P576 E577	Q544-P576 HydrophobicContact CB-CB 4.14Å; Q544-P576 HydrophobicContact CG-CB 4.15Å; Q544-E577 CarbonylContact C-O 3.52Å; Q544-E577 WeakPolarHBondContact CA-O 3.31Å
545	A	93.9	Very high	83.5	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	172.6	170.7	0	0	0	0	0	109	I542 P576 E577 A579 A621 L643 I644	I542-A545 HydrophobicContact CD1-CB 4.3Å; A545-P576 CarbonylContact O-C 3.4Å; A545-P576 WeakPolarHBondContact O-CA 3.23Å; A545-E577 PolarHBondContact N-O 2.69Å; A545-E577 PolarHBondContact O-N 3.1Å; A545-A579 HydrophobicContact CB-CB 3.8Å; A545-A621 HydrophobicContact CB-CB 3.38Å; A545-L643 HydrophobicContact CB-CB 3.95Å; A545-L643 HydrophobicContact CB-CD1 4.03Å; A545-I644 CarbonylContact C-O 3.55Å; A545-I644 WeakPolarHBondContact CA-O 3.34Å; A545-I644 WeakPolarHBondContact CB-O 3.14Å
546	Y	92.8	Very high	81.1	Confident	74 Å²	74	71.5 Å²	71.5	29%	0.29	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.8	-175.1	-58.4	-89.4	0	0	0	109.5	V548 S573 P576 I644 F647	Y546-V548 PolarHBondContact O-N 3.2Å; Y546-S573 VanDerWaalsContact CD1-O 3.26Å; Y546-S573 WeakPolarHBondContact CD1-O 3.31Å; Y546-P576 HydrophobicContact CD1-CB 4.36Å; Y546-P576 HydrophobicContact CE1-CB 3.83Å; Y546-I644 PolarHBondContact N-O 2.89Å; Y546-I644 WeakPolarHBondContact O-CG1 3.44Å; Y546-I644 PolarHBondContact O-N 3.26Å; Y546-F647 AromaticContact CD2-CE1 3.54Å; Y546-F647 HydrophobicContact CD2-CE1 3.54Å; Y546-F647 AromaticContact CD2-CZ 3.65Å; Y546-F647 HydrophobicContact CD2-CZ 3.65Å; Y546-F647 HydrophobicContact CE2-CE1 4.33Å; Y546-F647 HydrophobicContact CE2-CZ 4.21Å; Y546-F647 HydrophobicContact CG-CE1 4.03Å; Y546-F647 AromaticContact CG-CZ 3.94Å; Y546-F647 HydrophobicContact CG-CZ 3.94Å
547	R	92	Very high	78.8	Confident	56 Å²	56	78.4 Å²	78.4	21%	0.211	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	128.1	-179.4	-176.4	172	-66.4	-110.9	7.5	110.9	L549 C572 S573 E577 T641 L643	R547-L549 PolarHBondContact O-N 3.4Å; R547-C572 CarbonylContact O-C 3.56Å; R547-C572 WeakPolarHBondContact O-CA 3.49Å; R547-S573 PolarHBondContact O-N 3.08Å; R547-E577 VanDerWaalsContact CB-OE1 3.23Å; R547-E577 WeakPolarHBondContact CB-OE1 3.33Å; R547-E577 WeakPolarHBondContact CD-OE1 3.47Å; R547-E577 IonicContact CZ-OE1 3.67Å; R547-E577 IonicContact CZ-OE2 3.69Å; R547-E577 IonicContact NE-OE1 2.7Å; R547-E577 PolarHBondContact NE-OE1 3.36Å; R547-E577 IonicContact NE-OE2 3.31Å; R547-E577 PolarHBondContact NE-OE2 3.42Å; R547-E577 IonicContact NH2-OE1 3.44Å; R547-E577 IonicContact NH2-OE2 3.33Å; R547-E577 PolarHBondContact NH2-OE2 2.79Å; R547-T641 WeakPolarHBondContact CG-O 3.49Å; R547-T641 PolarHBondContact NH1-O 3.02Å; R547-T641 PolarHBondContact NH1-OG1 2.99Å; R547-L643 HydrophobicContact CB-CD2 3.73Å; R547-L643 HydrophobicContact CG-CD2 4.33Å
548	V	90.8	Very high	76.5	Confident	4 Å²	4	86.9 Å²	86.9	2%	0.024	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	131	169.5	176.3	0	0	0	0	108.2	Y546 T641 F642 I644	Y546-V548 PolarHBondContact O-N 3.2Å; V548-T641 VanDerWaalsContact O-CA 3.27Å; V548-T641 WeakPolarHBondContact O-CA 3.32Å; V548-T641 VanDerWaalsContact O-CB 3.28Å; V548-T641 WeakPolarHBondContact O-CB 3.46Å; V548-T641 VanDerWaalsContact O-CG2 3.31Å; V548-T641 WeakPolarHBondContact O-CG2 3.36Å; V548-F642 WeakPolarHBondContact CB-O 3.46Å; V548-F642 HydrophobicContact CG2-CD2 4.27Å; V548-F642 HydrophobicContact CG2-CE1 4.36Å; V548-F642 HydrophobicContact CG2-CE2 3.98Å; V548-F642 HydrophobicContact CG2-CZ 4.02Å; V548-F642 WeakPolarHBondContact CG2-O 3.08Å; V548-F642 PolarHBondContact N-O 2.99Å; V548-I644 HydrophobicContact CG2-CB 4.3Å; V548-I644 HydrophobicContact CG2-CD1 4.05Å; V548-I644 HydrophobicContact CG2-CG1 3.88Å; V548-I644 HydrophobicContact CG2-CG2 3.54Å
549	L	86.6	Confident	74.8	Confident	83 Å²	83	91.3 Å²	91.3	44%	0.435	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-86.5	131.1	174.1	-59.9	177.7	0	0	0	108.8	R547 Q551 C571	R547-L549 PolarHBondContact O-N 3.4Å; L549-Q551 PolarHBondContact O-N 3.22Å; L549-C571 HydrophobicContact CB-CB 4.1Å; L549-C571 HydrophobicContact CD1-CB 4.25Å; L549-C571 PolarHBondContact N-O 3.16Å
550	E	77.4	Confident	72.9	Confident	125 Å²	125	100.2 Å²	100.2	58%	0.584	49%	0.487	S	S	*	.			trans	-69.9	112	167.4	-175.9	156.7	-126.1	0	0	108.2	P552 P640 T641	E550-P552 WeakPolarHBondContact O-CD 3.49Å; E550-P640 HydrophobicContact CB-CB 4.38Å; E550-P640 HydrophobicContact CB-CG 4.47Å; E550-P640 HydrophobicContact CG-CB 4.31Å; E550-P640 HydrophobicContact CG-CG 4.44Å; E550-P640 WeakPolarHBondContact OE1-CB 3.36Å; E550-P640 WeakPolarHBondContact OE1-CG 3.4Å; E550-P640 WeakPolarHBondContact OE2-CG 3.35Å; E550-T641 HydrophobicContact CB-CG2 4.11Å
551	Q	66.4	Low	70.9	Confident	76 Å²	76	105.2 Å²	105.2	36%	0.355	51%	0.514	S	S	.	.			trans	-66.7	123.6	165	-72.3	-172.5	11.9	0	0	106.6	L549 D553 C571	L549-Q551 PolarHBondContact O-N 3.22Å; Q551-D553 PolarHBondContact O-N 3.21Å; Q551-C571 PolarHBondContact NE2-SG 3.47Å
552	P	58.2	Low	69	Low	103 Å²	103	108.2 Å²	108.2	67%	0.669	53%	0.528	S	S	*	.			trans	-66.2	133.1	179.9	26.6	-33.8	0	0	0	109.7	E550 Q554	E550-P552 WeakPolarHBondContact O-CD 3.49Å; P552-Q554 VanDerWaalsContact C-N 3.34Å; P552-Q554 PolarHBondContact O-N 3.42Å
553	D	51.2	Low	67.1	Low	153 Å²	153	116 Å²	116	82%	0.818	56%	0.562	S	S	*	*			trans	-59.7	94.6	172	-71.8	-30	0	0	0	109.3	Q551 N555	Q551-D553 PolarHBondContact O-N 3.21Å; D553-N555 PolarHBondContact O-N 3.23Å
554	Q	49.3	Very low	65.2	Low	129 Å²	129	111.5 Å²	111.5	60%	0.603	55%	0.551	S	S	*	*			trans	-73.2	99.2	172.3	-70.2	-161.9	-0.7	0	0	108.3	P552 K556	P552-Q554 VanDerWaalsContact C-N 3.34Å; P552-Q554 PolarHBondContact O-N 3.42Å; Q554-K556 HydrophobicContact CB-CD 4.17Å; Q554-K556 HydrophobicContact CB-CG 4.33Å; Q554-K556 WeakPolarHBondContact O-CB 3.41Å; Q554-K556 PolarHBondContact O-N 2.96Å
555	N	51.8	Low	63.3	Low	168 Å²	168	109.6 Å²	109.6	90%	0.898	55%	0.545	S	S	*	.			trans	-46.3	96.5	166.8	-90.5	-17	0	0	0	110.4	D553	D553-N555 PolarHBondContact O-N 3.23Å
556	K	46.7	Very low	61.3	Low	142 Å²	142	119.9 Å²	119.9	62%	0.617	58%	0.584	S	S	*	*			trans	-144.6	82.5	-176.6	-77.9	-176.7	169.1	169.4	0	110.5	Q554 M558	Q554-K556 HydrophobicContact CB-CD 4.17Å; Q554-K556 HydrophobicContact CB-CG 4.33Å; Q554-K556 WeakPolarHBondContact O-CB 3.41Å; Q554-K556 PolarHBondContact O-N 2.96Å; K556-M558 PolarHBondContact O-N 2.85Å
557	D	46.6	Very low	59.2	Low	145 Å²	145	123.9 Å²	123.9	78%	0.775	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	38.9	67.5	146.6	-55.9	-38.4	0	0	0	117.8	T559	D557-T559 VanDerWaalsContact C-N 3.31Å; D557-T559 VanDerWaalsContact O-CB 3.3Å; D557-T559 WeakPolarHBondContact O-CB 3.11Å; D557-T559 PolarHBondContact O-N 3.48Å; D557-T559 PolarHBondContact O-OG1 3.43Å
558	M	48	Very low	57.7	Low	178 Å²	178	127.2 Å²	127.2	88%	0.877	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	24	61.7	152.3	-76.5	-83.5	163	0	0	115.4	K556	K556-M558 PolarHBondContact O-N 2.85Å
559	T	60.4	Low	56.4	Low	93 Å²	93	131 Å²	131	57%	0.571	65%	0.649	S	S	*	*			trans	-130.2	159.6	-177.7	-63.6	0	0	0	0	108.4	D557 D561 D562	D557-T559 VanDerWaalsContact C-N 3.31Å; D557-T559 VanDerWaalsContact O-CB 3.3Å; D557-T559 WeakPolarHBondContact O-CB 3.11Å; D557-T559 PolarHBondContact O-N 3.48Å; D557-T559 PolarHBondContact O-OG1 3.43Å; T559-D561 PolarHBondContact O-N 2.85Å; T559-D562 PolarHBondContact O-N 3.13Å
560	K	55	Low	55.7	Low	187 Å²	187	132 Å²	132	81%	0.813	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-49.1	-15.5	-164.2	-73.4	179.7	172.7	179.1	0	118.2	D562 F563	K560-D562 VanDerWaalsContact C-N 3.25Å; K560-D562 PolarHBondContact O-N 3.25Å; K560-F563 WeakPolarHBondContact O-CB 3.38Å; K560-F563 PolarHBondContact O-N 2.8Å
561	D	51.5	Low	55.7	Low	107 Å²	107	128.8 Å²	128.8	57%	0.572	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-67.3	-20.7	-177.7	-63.9	-39.9	0	0	0	113.6	T559 F563 M564 D565	T559-D561 PolarHBondContact O-N 2.85Å; D561-F563 PolarHBondContact O-N 2.74Å; D561-M564 WeakPolarHBondContact O-CA 3.31Å; D561-M564 WeakPolarHBondContact O-CB 3.34Å; D561-M564 PolarHBondContact O-N 2.8Å; D561-D565 PolarHBondContact O-N 2.84Å
562	D	53.5	Low	56.6	Low	99 Å²	99	126.9 Å²	126.9	53%	0.529	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-52.1	-28.9	169.8	-67.5	-19	0	0	0	112.7	T559 K560 M564	T559-D562 PolarHBondContact O-N 3.13Å; K560-D562 VanDerWaalsContact C-N 3.25Å; K560-D562 PolarHBondContact O-N 3.25Å; D562-M564 VanDerWaalsContact C-N 3.32Å
563	F	52.2	Low	58	Low	182 Å²	182	123.2 Å²	123.2	80%	0.798	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-76.3	-20.3	178.3	-141.6	-87.1	0	0	0	112.9	K560 D561	K560-F563 WeakPolarHBondContact O-CB 3.38Å; K560-F563 PolarHBondContact O-N 2.8Å; D561-F563 PolarHBondContact O-N 2.74Å
564	M	52	Low	59.7	Low	122 Å²	122	122.4 Å²	122.4	60%	0.601	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-17.3	176.6	-71.1	-70.5	-179	0	0	113	D561 D562 R566 H567 R568	D561-M564 WeakPolarHBondContact O-CA 3.31Å; D561-M564 WeakPolarHBondContact O-CB 3.34Å; D561-M564 PolarHBondContact O-N 2.8Å; D562-M564 VanDerWaalsContact C-N 3.32Å; M564-R566 PolarHBondContact O-N 2.73Å; M564-H567 CarbonylContact O-C 3.58Å; M564-H567 WeakPolarHBondContact O-CA 3.27Å; M564-H567 WeakPolarHBondContact O-CB 3.44Å; M564-H567 PolarHBondContact O-N 3.33Å; M564-R568 PolarHBondContact O-N 3.37Å
565	D	53.7	Low	61.7	Low	75 Å²	75	120.5 Å²	120.5	40%	0.401	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-64.9	-24.1	-177.7	-82.5	22.3	0	0	0	113.7	D561 H567 R568	D561-D565 PolarHBondContact O-N 2.84Å; D565-H567 PolarHBondContact O-N 2.94Å; D565-R568 IonicContact OD1-CZ 3.06Å; D565-R568 IonicContact OD1-NE 2.74Å; D565-R568 PolarHBondContact OD1-NE 3.37Å; D565-R568 IonicContact OD1-NH2 2.72Å; D565-R568 PolarHBondContact OD1-NH2 3.18Å; D565-R568 IonicContact OD2-CZ 3.8Å; D565-R568 IonicContact OD2-NE 3.39Å; D565-R568 IonicContact OD2-NH2 3.47Å; D565-R568 PolarHBondContact OD2-NH2 2.98Å
566	R	51.9	Low	63.6	Low	217 Å²	217	115.2 Å²	115.2	82%	0.819	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-69.8	-11.2	168	-77.7	-175.5	169.1	-172.2	-2	114.6	M564	M564-R566 PolarHBondContact O-N 2.73Å
567	H	49.1	Very low	65.9	Low	158 Å²	158	111.2 Å²	111.2	73%	0.731	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-119.1	2	-177.3	-67.4	-72.7	0	0	0	113.4	M564 D565	M564-H567 CarbonylContact O-C 3.58Å; M564-H567 WeakPolarHBondContact O-CA 3.27Å; M564-H567 WeakPolarHBondContact O-CB 3.44Å; M564-H567 PolarHBondContact O-N 3.33Å; D565-H567 PolarHBondContact O-N 2.94Å
568	R	59.9	Low	68.1	Low	125 Å²	125	112.5 Å²	112.5	47%	0.472	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-65.8	135.8	172.6	-74	-171.7	-165	-166.8	12.4	110.8	M564 D565	M564-R568 PolarHBondContact O-N 3.37Å; D565-R568 IonicContact OD1-CZ 3.06Å; D565-R568 IonicContact OD1-NE 2.74Å; D565-R568 PolarHBondContact OD1-NE 3.37Å; D565-R568 IonicContact OD1-NH2 2.72Å; D565-R568 PolarHBondContact OD1-NH2 3.18Å; D565-R568 IonicContact OD2-CZ 3.8Å; D565-R568 IonicContact OD2-NE 3.39Å; D565-R568 IonicContact OD2-NH2 3.47Å; D565-R568 PolarHBondContact OD2-NH2 2.98Å
569	A	62.5	Low	70.3	Confident	84 Å²	84	104.1 Å²	104.1	69%	0.694	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-65.1	137.6	167.3	0	0	0	0	0	110.3
570	W	72	Confident	71.9	Confident	103 Å²	103	102.4 Å²	102.4	39%	0.39	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-72.4	134.1	179.4	-43.1	97.7	0	0	0	110.6	K630	W570-K630 HydrophobicContact CE3-CG 4.35Å; W570-K630 HydrophobicContact CH2-CB 3.66Å; W570-K630 HydrophobicContact CH2-CD 3.65Å; W570-K630 HydrophobicContact CH2-CG 3.64Å; W570-K630 HydrophobicContact CZ2-CB 4.09Å; W570-K630 HydrophobicContact CZ2-CG 4.41Å; W570-K630 HydrophobicContact CZ3-CB 4.17Å; W570-K630 HydrophobicContact CZ3-CD 3.48Å; W570-K630 VanDerWaalsContact CZ3-CD 3.48Å; W570-K630 HydrophobicContact CZ3-CG 3.6Å
571	C	78.7	Confident	73.8	Confident	58 Å²	58	93.5 Å²	93.5	39%	0.392	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-84	141.2	167.4	-60.1	0	0	0	0	109.5	L549 Q551	L549-C571 HydrophobicContact CB-CB 4.1Å; L549-C571 HydrophobicContact CD1-CB 4.25Å; L549-C571 PolarHBondContact N-O 3.16Å; Q551-C571 PolarHBondContact NE2-SG 3.47Å
572	C	85.6	Confident	75.8	Confident	36 Å²	36	88.4 Å²	88.4	24%	0.243	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.6	172	54.4	0	0	0	0	110.1	R547 I644 F647	R547-C572 CarbonylContact O-C 3.56Å; R547-C572 WeakPolarHBondContact O-CA 3.49Å; C572-I644 HydrophobicContact CB-CD1 4.06Å; C572-I644 HydrophobicContact CB-CG1 4.47Å; C572-F647 HydrophobicContact CB-CZ 4.48Å; C572-F647 WeakPolarHBondContact SG-CZ 3.23Å
573	S	86.6	Confident	77.8	Confident	27 Å²	27	83.9 Å²	83.9	19%	0.189	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	141	171.2	-174.9	0	0	0	0	109.9	Y546 R547 V575	Y546-S573 VanDerWaalsContact CD1-O 3.26Å; Y546-S573 WeakPolarHBondContact CD1-O 3.31Å; R547-S573 PolarHBondContact O-N 3.08Å; S573-V575 WeakPolarHBondContact OG-CB 3.44Å; S573-V575 PolarHBondContact OG-N 3.47Å; S573-V575 VanDerWaalsContact OG-N 3.13Å
574	T	87.1	Confident	79.7	Confident	135 Å²	135	75.3 Å²	75.3	83%	0.828	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	-11.7	168.7	49.8	0	0	0	0	112.5
575	V	91.6	Very high	81.5	Confident	89 Å²	89	70 Å²	70	54%	0.539	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.8	177.8	-175.7	0	0	0	0	109.7	S573 E577	S573-V575 WeakPolarHBondContact OG-CB 3.44Å; S573-V575 PolarHBondContact OG-N 3.47Å; S573-V575 VanDerWaalsContact OG-N 3.13Å; V575-E577 PolarHBondContact O-N 3.06Å
576	P	92.3	Very high	83.5	Confident	58 Å²	58	68.1 Å²	68.1	38%	0.377	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	118	174.8	30.1	-32.3	0	0	0	111.2	Q544 A545 Y546	Q544-P576 HydrophobicContact CB-CB 4.14Å; Q544-P576 HydrophobicContact CG-CB 4.15Å; A545-P576 CarbonylContact O-C 3.4Å; A545-P576 WeakPolarHBondContact O-CA 3.23Å; Y546-P576 HydrophobicContact CD1-CB 4.36Å; Y546-P576 HydrophobicContact CE1-CB 3.83Å
577	E	93.9	Very high	85.5	Confident	57 Å²	57	58 Å²	58	27%	0.266	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	148.6	167.9	-73.6	176.6	-132.7	0	0	110.2	Q544 A545 R547 V575 L643	Q544-E577 CarbonylContact C-O 3.52Å; Q544-E577 WeakPolarHBondContact CA-O 3.31Å; A545-E577 PolarHBondContact N-O 2.69Å; A545-E577 PolarHBondContact O-N 3.1Å; R547-E577 VanDerWaalsContact CB-OE1 3.23Å; R547-E577 WeakPolarHBondContact CB-OE1 3.33Å; R547-E577 WeakPolarHBondContact CD-OE1 3.47Å; R547-E577 IonicContact CZ-OE1 3.67Å; R547-E577 IonicContact CZ-OE2 3.69Å; R547-E577 IonicContact NE-OE1 2.7Å; R547-E577 PolarHBondContact NE-OE1 3.36Å; R547-E577 IonicContact NE-OE2 3.31Å; R547-E577 PolarHBondContact NE-OE2 3.42Å; R547-E577 IonicContact NH2-OE1 3.44Å; R547-E577 IonicContact NH2-OE2 3.33Å; R547-E577 PolarHBondContact NH2-OE2 2.79Å; V575-E577 PolarHBondContact O-N 3.06Å; E577-L643 HydrophobicContact CB-CD1 4.18Å; E577-L643 HydrophobicContact CB-CD2 4.2Å
578	Q	93.3	Very high	87.8	Confident	173 Å²	173	51.1 Å²	51.1	81%	0.808	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	131.6	177.7	-66.9	-169.5	11.8	0	0	110.5
579	A	93.9	Very high	89.4	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.008	26%	0.26	C	S	.	.			trans	-142.1	148.6	178	0	0	0	0	0	110.3	I542 R543 A545 L643	I542-A579 CarbonylContact C-O 3.56Å; I542-A579 VanDerWaalsContact C-O 3.26Å; I542-A579 HydrophobicContact CD1-CB 3.65Å; I542-A579 HydrophobicContact CG1-CB 4.07Å; R543-A579 CarbonylContact C-O 3.57Å; R543-A579 VanDerWaalsContact C-O 3.24Å; R543-A579 WeakPolarHBondContact CA-O 3.44Å; R543-A579 PolarHBondContact N-O 3.2Å; R543-A579 PolarHBondContact O-N 3.09Å; A545-A579 HydrophobicContact CB-CB 3.8Å; A579-L643 HydrophobicContact CB-CD1 4.05Å
580	L	93.3	Very high	90.7	Very high	58 Å²	58	44 Å²	44	30%	0.304	24%	0.242	S	C	.	.	S	Bend	trans	-108.1	-35.4	-173.1	-57.5	179.3	0	0	0	112.2	P541 I542 M610 L615 E619	P541-L580 WeakPolarHBondContact CA-O 3.44Å; I542-L580 PolarHBondContact N-O 2.7Å; L580-M610 HydrophobicContact CB-SD 4.13Å; L580-M610 HydrophobicContact CD1-CE 4.11Å; L580-M610 HydrophobicContact CD1-SD 3.85Å; L580-L615 HydrophobicContact CB-CD2 4.25Å; L580-L615 HydrophobicContact CD1-CD2 3.88Å; L580-E619 HydrophobicContact CB-CB 4.39Å; L580-E619 HydrophobicContact CD1-CB 4.32Å; L580-E619 HydrophobicContact CD1-CG 4.15Å; L580-E619 VanDerWaalsContact CD1-OE1 3.25Å; L580-E619 WeakPolarHBondContact CD1-OE1 3.29Å; L580-E619 HydrophobicContact CG-CB 4.24Å; L580-E619 HydrophobicContact CG-CG 4.35Å; L580-E619 PolarHBondContact N-O 3.28Å
581	C	94.6	Very high	91.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116	-174.7	-175.2	0	0	0	0	112	V605 F609 L615 E619 I620 A621	C581-V605 VanDerWaalsContact SG-CG1 3.57Å; C581-F609 HydrophobicContact CB-CD1 3.81Å; C581-F609 HydrophobicContact CB-CE1 3.89Å; C581-F609 HydrophobicContact CB-CG 4.22Å; C581-F609 HydrophobicContact CB-CZ 4.36Å; C581-L615 HydrophobicContact CB-CD1 3.6Å; C581-E619 PolarHBondContact N-O 3.25Å; C581-I620 WeakPolarHBondContact O-CA 3.15Å; C581-A621 PolarHBondContact O-N 3.27Å
582	G	94.3	Very high	92.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.8	172.5	0	0	0	0	0	111.2	A539 E540 S584 A621 Y645	A539-G582 CarbonylContact C-O 3.6Å; A539-G582 VanDerWaalsContact CA-O 3.27Å; A539-G582 WeakPolarHBondContact CA-O 3.41Å; E540-G582 PolarHBondContact N-O 2.86Å; E540-G582 WeakPolarHBondContact O-CA 3.21Å; E540-G582 PolarHBondContact O-N 3.46Å; G582-S584 PolarHBondContact O-N 2.9Å; G582-A621 CarbonylContact C-O 3.6Å; G582-A621 WeakPolarHBondContact CA-O 3.49Å; G582-Y645 PolarHBondContact O-OH 3.23Å
583	I	94.9	Very high	92.5	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	94	170.7	-53.4	154.2	0	0	0	107.5	L537 I586 L602 I620 A621 F622 S623	L537-I583 HydrophobicContact CD2-CG2 4.15Å; L537-I583 HydrophobicContact CG-CG2 4.24Å; I583-I586 HydrophobicContact CG2-CB 3.93Å; I583-I586 HydrophobicContact CG2-CG2 4.25Å; I583-L602 HydrophobicContact CD1-CD1 4.26Å; I583-L602 HydrophobicContact CD1-CD2 3.4Å; I583-L602 HydrophobicContact CD1-CG 4.5Å; I583-L602 HydrophobicContact CG1-CD2 3.81Å; I583-I620 HydrophobicContact CD1-CG2 3.44Å; I583-I620 VanDerWaalsContact CD1-CG2 3.44Å; I583-I620 HydrophobicContact CG1-CG2 3.8Å; I583-A621 PolarHBondContact N-O 3.5Å; I583-F622 HydrophobicContact CB-CD1 4.32Å; I583-F622 HydrophobicContact CD1-CD1 3.51Å; I583-F622 HydrophobicContact CD1-CD2 4.05Å; I583-F622 HydrophobicContact CD1-CE1 3.33Å; I583-F622 HydrophobicContact CD1-CE2 3.88Å; I583-F622 HydrophobicContact CD1-CG 3.87Å; I583-F622 HydrophobicContact CD1-CZ 3.52Å; I583-F622 HydrophobicContact CG2-CD1 4.48Å; I583-S623 PolarHBondContact O-N 2.77Å; I583-S623 PolarHBondContact O-OG 3.48Å
584	S	91.9	Very high	92.8	Very high	2 Å²	2	51 Å²	51	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-35.2	-178.4	-153	0	0	0	0	111.5	L515 V538 E540 G582 S623 Y645	L515-S584 WeakPolarHBondContact CD2-OG 3.38Å; V538-S584 WeakPolarHBondContact O-CB 3.23Å; V538-S584 PolarHBondContact O-N 2.84Å; E540-S584 WeakPolarHBondContact OE1-CB 3.49Å; E540-S584 PolarHBondContact OE1-OG 3.38Å; G582-S584 PolarHBondContact O-N 2.9Å; S584-S623 WeakPolarHBondContact CA-OG 3.5Å; S584-S623 PolarHBondContact O-OG 3.17Å; S584-Y645 VanDerWaalsContact CA-OH 3.22Å; S584-Y645 WeakPolarHBondContact CA-OH 3.35Å; S584-Y645 WeakPolarHBondContact CB-OH 3.37Å; S584-Y645 PolarHBondContact N-OH 2.62Å
585	R	91	Very high	93.1	Very high	11 Å²	11	50.1 Å²	50.1	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.1	170.6	-62.9	-65.3	-179.4	-90.7	-4.1	110	D505 V513 L537 V538	D505-R585 IonicContact OD1-CZ 3.71Å; D505-R585 IonicContact OD1-NE 2.78Å; D505-R585 PolarHBondContact OD1-NE 3.22Å; D505-R585 IonicContact OD1-NH2 3.76Å; V513-R585 PolarHBondContact O-NH2 2.83Å; L537-R585 CarbonylContact C-O 3.48Å; L537-R585 VanDerWaalsContact CA-O 3.3Å; L537-R585 WeakPolarHBondContact CA-O 3.46Å; V538-R585 HydrophobicContact CB-CB 4.12Å; V538-R585 HydrophobicContact CG2-CB 4.17Å; V538-R585 PolarHBondContact N-O 2.94Å; V538-R585 PolarHBondContact O-N 3.4Å
586	I	94.6	Very high	93.3	Very high	36 Å²	36	48.2 Å²	48.2	19%	0.185	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	126.7	163.5	-170.1	170	0	0	0	109.3	L537 I583 A598 L602 F632	L537-I586 HydrophobicContact CD1-CD1 3.73Å; L537-I586 HydrophobicContact CD1-CG1 3.99Å; L537-I586 HydrophobicContact CG-CB 4.25Å; L537-I586 HydrophobicContact CG-CD1 4.36Å; L537-I586 HydrophobicContact CG-CG1 4.11Å; I583-I586 HydrophobicContact CG2-CB 3.93Å; I583-I586 HydrophobicContact CG2-CG2 4.25Å; I586-A598 HydrophobicContact CD1-CB 3.92Å; I586-L602 HydrophobicContact CD1-CG 4.32Å; I586-F632 HydrophobicContact CD1-CD1 4.27Å; I586-F632 HydrophobicContact CD1-CE1 3.58Å; I586-F632 HydrophobicContact CD1-CZ 4.19Å
587	W	95.4	Very high	93.5	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.019	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	139.4	-176	174	86.1	0	0	0	110.2	I463 V500 I503 A504 E507 G535 C536 F589	I463-W587 HydrophobicContact CG2-CH2 4.36Å; V500-W587 HydrophobicContact CG1-CZ3 4.31Å; I503-W587 HydrophobicContact CG2-CZ2 4.28Å; A504-W587 HydrophobicContact CB-CB 3.57Å; A504-W587 HydrophobicContact CB-CD2 4.01Å; A504-W587 HydrophobicContact CB-CG 3.54Å; E507-W587 WeakPolarHBondContact OE1-CZ2 3.47Å; E507-W587 PolarHBondContact OE2-NE1 2.91Å; G535-W587 CarbonylContact C-O 3.26Å; G535-W587 WeakPolarHBondContact CA-O 3.07Å; C536-W587 HydrophobicContact CB-CE3 3.85Å; C536-W587 PolarHBondContact N-O 3.25Å; C536-W587 PolarHBondContact O-N 3.02Å; W587-F589 HydrophobicContact CH2-CB 3.78Å; W587-F589 HydrophobicContact CZ2-CB 4.02Å; W587-F589 HydrophobicContact CZ2-CD2 4.43Å; W587-F589 HydrophobicContact CZ3-CB 4.44Å
588	V	95.9	Very high	93.6	Very high	13 Å²	13	43.8 Å²	43.8	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.6	170.4	177	0	0	0	0	107.3	V534 S590 A592 R593 I597 A598	V534-V588 WeakPolarHBondContact O-CA 3.47Å; V588-S590 PolarHBondContact O-N 2.84Å; V588-A592 HydrophobicContact CG1-CB 4.23Å; V588-R593 HydrophobicContact CB-CG 4.23Å; V588-R593 HydrophobicContact CG1-CG 4.15Å; V588-R593 PolarHBondContact O-NE 3.25Å; V588-I597 HydrophobicContact CG1-CB 4.2Å; V588-I597 HydrophobicContact CG1-CD1 4.17Å; V588-I597 HydrophobicContact CG1-CG2 4.3Å; V588-I597 HydrophobicContact CG2-CB 4.2Å; V588-I597 HydrophobicContact CG2-CG2 3.94Å; V588-A598 HydrophobicContact CG2-CB 3.95Å
589	F	93.8	Very high	93.8	Very high	15 Å²	15	38 Å²	38	7%	0.066	19%	0.192	C	C	.	.			trans	-50.2	132.9	178.4	174.3	-133.6	0	0	0	110.5	F459 V534 W587 L591 A592 R593	F459-F589 AromaticContact CE1-CD2 3.94Å; F459-F589 HydrophobicContact CE1-CD2 3.94Å; F459-F589 AromaticContact CE1-CE2 3.48Å; F459-F589 HydrophobicContact CE1-CE2 3.48Å; F459-F589 VanDerWaalsContact CE1-CE2 3.48Å; F459-F589 HydrophobicContact CE1-CZ 4.03Å; F459-F589 AromaticContact CZ-CD2 3.53Å; F459-F589 HydrophobicContact CZ-CD2 3.53Å; F459-F589 AromaticContact CZ-CE2 3.45Å; F459-F589 HydrophobicContact CZ-CE2 3.45Å; F459-F589 VanDerWaalsContact CZ-CE2 3.45Å; F459-F589 HydrophobicContact CZ-CZ 4.42Å; V534-F589 HydrophobicContact CB-CB 4.33Å; V534-F589 HydrophobicContact CG1-CD1 4.44Å; V534-F589 PolarHBondContact O-N 3.08Å; W587-F589 HydrophobicContact CH2-CB 3.78Å; W587-F589 HydrophobicContact CZ2-CB 4.02Å; W587-F589 HydrophobicContact CZ2-CD2 4.43Å; W587-F589 HydrophobicContact CZ3-CB 4.44Å; F589-L591 VanDerWaalsContact C-N 3.27Å; F589-L591 HydrophobicContact CD1-CB 4.23Å; F589-L591 HydrophobicContact CE1-CB 3.77Å; F589-L591 HydrophobicContact CE1-CD1 3.95Å; F589-L591 HydrophobicContact CE1-CG 3.98Å; F589-L591 HydrophobicContact CE2-CG 4.48Å; F589-L591 HydrophobicContact CZ-CB 4.13Å; F589-L591 HydrophobicContact CZ-CD1 3.71Å; F589-L591 HydrophobicContact CZ-CG 3.81Å; F589-L591 PolarHBondContact O-N 2.98Å; F589-L591 VanDerWaalsContact O-N 3.09Å; F589-A592 HydrophobicContact CB-CB 4.47Å; F589-A592 HydrophobicContact CD1-CB 4.49Å; F589-A592 CarbonylContact O-C 3.56Å; F589-A592 WeakPolarHBondContact O-CA 3.43Å; F589-A592 PolarHBondContact O-N 3.27Å; F589-R593 WeakPolarHBondContact O-CG 3.44Å; F589-R593 PolarHBondContact O-N 2.74Å
590	S	90.1	Very high	93.9	Very high	44 Å²	44	39.4 Å²	39.4	31%	0.308	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-46.5	-45.1	-170.3	53.8	0	0	0	0	114.1	V588 A592 R593	V588-S590 PolarHBondContact O-N 2.84Å; S590-A592 VanDerWaalsContact C-N 3.33Å; S590-A592 PolarHBondContact O-N 3Å; S590-R593 PolarHBondContact O-N 2.9Å
591	L	89.2	Confident	94	Very high	87 Å²	87	36.6 Å²	36.6	46%	0.455	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-76.8	-15.4	-178.3	-53.1	-179.4	0	0	0	114.3	S435 F589	S435-L591 VanDerWaalsContact O-CD1 3.26Å; S435-L591 WeakPolarHBondContact O-CD1 3.16Å; F589-L591 VanDerWaalsContact C-N 3.27Å; F589-L591 HydrophobicContact CD1-CB 4.23Å; F589-L591 HydrophobicContact CE1-CB 3.77Å; F589-L591 HydrophobicContact CE1-CD1 3.95Å; F589-L591 HydrophobicContact CE1-CG 3.98Å; F589-L591 HydrophobicContact CE2-CG 4.48Å; F589-L591 HydrophobicContact CZ-CB 4.13Å; F589-L591 HydrophobicContact CZ-CD1 3.71Å; F589-L591 HydrophobicContact CZ-CG 3.81Å; F589-L591 PolarHBondContact O-N 2.98Å; F589-L591 VanDerWaalsContact O-N 3.09Å
592	A	91.1	Very high	94.1	Very high	9 Å²	9	36.6 Å²	36.6	7%	0.074	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-102.7	4.4	176.4	0	0	0	0	0	112.9	V534 V588 F589 S590 I597	V534-A592 HydrophobicContact CB-CB 4.12Å; V588-A592 HydrophobicContact CG1-CB 4.23Å; F589-A592 HydrophobicContact CB-CB 4.47Å; F589-A592 HydrophobicContact CD1-CB 4.49Å; F589-A592 CarbonylContact O-C 3.56Å; F589-A592 WeakPolarHBondContact O-CA 3.43Å; F589-A592 PolarHBondContact O-N 3.27Å; S590-A592 VanDerWaalsContact C-N 3.33Å; S590-A592 PolarHBondContact O-N 3Å; A592-I597 HydrophobicContact CB-CD1 3.84Å
593	R	93.2	Very high	94.2	Very high	88 Å²	88	39.2 Å²	39.2	33%	0.332	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	158.6	177.3	-67.3	-172.1	-172.2	178.5	15.3	111.2	E507 V588 F589 S590 Q595 D628	E507-R593 IonicContact OE2-NH2 2.76Å; E507-R593 PolarHBondContact OE2-NH2 3.11Å; V588-R593 HydrophobicContact CB-CG 4.23Å; V588-R593 HydrophobicContact CG1-CG 4.15Å; V588-R593 PolarHBondContact O-NE 3.25Å; F589-R593 WeakPolarHBondContact O-CG 3.44Å; F589-R593 PolarHBondContact O-N 2.74Å; S590-R593 PolarHBondContact O-N 2.9Å; R593-Q595 PolarHBondContact O-N 3.16Å; R593-D628 IonicContact NH1-OD2 3.2Å; R593-D628 PolarHBondContact NH1-OD2 3.22Å
594	R	93.5	Very high	94.2	Very high	186 Å²	186	39.3 Å²	39.3	70%	0.702	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	-6.6	-177.4	-46.7	-58.4	-179.9	-152.5	-9	116.4	A596 D628	R594-A596 PolarHBondContact O-N 3.42Å; R594-D628 IonicContact CZ-OD1 3.9Å; R594-D628 IonicContact NH1-OD1 2.74Å; R594-D628 PolarHBondContact NH1-OD1 3.1Å; R594-D628 IonicContact NH2-OD1 3.7Å; R594-D628 PolarHBondContact NH2-OD1 2.87Å
595	Q	93.6	Very high	94.4	Very high	117 Å²	117	39.2 Å²	39.2	55%	0.547	20%	0.197	S	C	.	.	S	Bend	trans	-75.5	31.7	172.2	-62.2	176.8	-26.1	0	0	114.1	R593 I597 R600	R593-Q595 PolarHBondContact O-N 3.16Å; Q595-I597 HydrophobicContact CB-CD1 4.46Å; Q595-I597 HydrophobicContact CB-CG1 4.32Å; Q595-I597 PolarHBondContact O-N 2.81Å; Q595-R600 PolarHBondContact O-NH2 2.78Å
596	A	95.2	Very high	94.7	Very high	49 Å²	49	39.8 Å²	39.8	41%	0.405	20%	0.199	S	C	.	.	S	Bend	trans	51.1	17.1	-177.1	0	0	0	0	0	116.6	R594 T599 R600	R594-A596 PolarHBondContact O-N 3.42Å; A596-T599 WeakPolarHBondContact O-CB 3.4Å; A596-T599 PolarHBondContact O-N 3Å; A596-R600 WeakPolarHBondContact O-CG 3.26Å; A596-R600 PolarHBondContact O-N 2.93Å; A596-R600 VanDerWaalsContact O-N 3.09Å; A596-R600 PolarHBondContact O-NE 2.81Å
597	I	96.4	Very high	94.7	Very high	5 Å²	5	41 Å²	41	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-52.3	179.9	-65.1	175.8	0	0	0	110.4	F526 V534 V588 A592 Q595 T599 R600 M601	F526-I597 HydrophobicContact CB-CG2 3.96Å; F526-I597 HydrophobicContact CD1-CG2 4.34Å; F526-I597 HydrophobicContact CD2-CG2 3.82Å; F526-I597 HydrophobicContact CE2-CG2 4.43Å; F526-I597 HydrophobicContact CG-CG2 3.79Å; V534-I597 HydrophobicContact CG2-CD1 3.96Å; V588-I597 HydrophobicContact CG1-CB 4.2Å; V588-I597 HydrophobicContact CG1-CD1 4.17Å; V588-I597 HydrophobicContact CG1-CG2 4.3Å; V588-I597 HydrophobicContact CG2-CB 4.2Å; V588-I597 HydrophobicContact CG2-CG2 3.94Å; A592-I597 HydrophobicContact CB-CD1 3.84Å; Q595-I597 HydrophobicContact CB-CD1 4.46Å; Q595-I597 HydrophobicContact CB-CG1 4.32Å; Q595-I597 PolarHBondContact O-N 2.81Å; I597-T599 VanDerWaalsContact C-N 3.3Å; I597-T599 PolarHBondContact O-N 3.17Å; I597-R600 PolarHBondContact O-N 2.97Å; I597-M601 HydrophobicContact CG2-CG 4.35Å; I597-M601 HydrophobicContact CG2-SD 4Å; I597-M601 WeakPolarHBondContact O-CG 3.37Å; I597-M601 PolarHBondContact O-N 3.35Å
598	A	96.4	Very high	94.6	Very high	18 Å²	18	42.6 Å²	42.6	15%	0.149	22%	0.221	C	C	.	.	H	α-helix	trans	-57.8	-39.5	179	0	0	0	0	0	113	I586 V588 M601 L602 F632	I586-A598 HydrophobicContact CD1-CB 3.92Å; V588-A598 HydrophobicContact CG2-CB 3.95Å; A598-M601 PolarHBondContact O-N 3.33Å; A598-L602 PolarHBondContact O-N 2.96Å; A598-F632 VanDerWaalsContact C-CZ 3.49Å; A598-F632 HydrophobicContact CB-CD2 4.17Å; A598-F632 HydrophobicContact CB-CE1 4.08Å; A598-F632 HydrophobicContact CB-CE2 3.57Å; A598-F632 HydrophobicContact CB-CZ 3.52Å
599	T	96.5	Very high	94.4	Very high	50 Å²	50	42.4 Å²	42.4	31%	0.307	22%	0.219	S	C	.	.	H	α-helix	trans	-58.3	-55.1	174.4	-51.8	0	0	0	0	110.6	A596 I597 M601 L602 D603 Y636	A596-T599 WeakPolarHBondContact O-CB 3.4Å; A596-T599 PolarHBondContact O-N 3Å; I597-T599 VanDerWaalsContact C-N 3.3Å; I597-T599 PolarHBondContact O-N 3.17Å; T599-M601 VanDerWaalsContact C-N 3.28Å; T599-M601 PolarHBondContact O-N 2.91Å; T599-L602 PolarHBondContact O-N 3Å; T599-D603 VanDerWaalsContact O-CG 3.31Å; T599-D603 PolarHBondContact O-N 2.65Å; T599-D603 VanDerWaalsContact O-OD2 3.1Å; T599-Y636 HydrophobicContact CG2-CD2 3.99Å; T599-Y636 HydrophobicContact CG2-CE2 3.89Å
600	R	96.5	Very high	94.2	Very high	31 Å²	31	45.2 Å²	45.2	12%	0.117	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-33.8	179.6	-70.9	177.9	-75.4	162.2	-10.4	113	F477 D479 I482 Q595 A596 I597 D603 T604	F477-R600 HydrophobicContact CE1-CB 4.31Å; F477-R600 HydrophobicContact CE1-CG 3.97Å; F477-R600 HydrophobicContact CE2-CB 4.27Å; F477-R600 HydrophobicContact CZ-CB 3.83Å; F477-R600 HydrophobicContact CZ-CG 4.03Å; D479-R600 VanDerWaalsContact CG-NH1 3.29Å; D479-R600 IonicContact OD1-CZ 3.61Å; D479-R600 IonicContact OD1-NH1 3.72Å; D479-R600 PolarHBondContact OD1-NH1 3.42Å; D479-R600 IonicContact OD1-NH2 3.62Å; D479-R600 IonicContact OD2-CZ 3.55Å; D479-R600 IonicContact OD2-NH1 3.69Å; D479-R600 PolarHBondContact OD2-NH1 2.7Å; D479-R600 IonicContact OD2-NH2 2.71Å; D479-R600 PolarHBondContact OD2-NH2 3.33Å; I482-R600 HydrophobicContact CD1-CB 4.5Å; Q595-R600 PolarHBondContact O-NH2 2.78Å; A596-R600 WeakPolarHBondContact O-CG 3.26Å; A596-R600 PolarHBondContact O-N 2.93Å; A596-R600 VanDerWaalsContact O-N 3.09Å; A596-R600 PolarHBondContact O-NE 2.81Å; I597-R600 PolarHBondContact O-N 2.97Å; R600-D603 PolarHBondContact O-N 3.15Å; R600-T604 WeakPolarHBondContact O-CB 3.44Å; R600-T604 PolarHBondContact O-N 2.83Å; R600-T604 PolarHBondContact O-OG1 2.91Å
601	M	96.9	Very high	94.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-42.8	172.4	-67.2	-175.5	85.2	0	0	111.6	I482 F524 F526 L537 I597 A598 T599 T604 V605	I482-M601 HydrophobicContact CD1-CB 4.43Å; I482-M601 HydrophobicContact CD1-CG 3.83Å; I482-M601 HydrophobicContact CG1-CG 4.44Å; F524-M601 HydrophobicContact CB-CE 4.09Å; F524-M601 WeakPolarHBondContact O-CE 3.47Å; F526-M601 HydrophobicContact CB-CE 4.25Å; F526-M601 HydrophobicContact CB-CG 4.35Å; F526-M601 HydrophobicContact CB-SD 3.91Å; L537-M601 HydrophobicContact CB-CB 4.49Å; L537-M601 HydrophobicContact CB-CE 3.74Å; L537-M601 HydrophobicContact CB-SD 4.5Å; L537-M601 HydrophobicContact CD1-CB 3.79Å; I597-M601 HydrophobicContact CG2-CG 4.35Å; I597-M601 HydrophobicContact CG2-SD 4Å; I597-M601 WeakPolarHBondContact O-CG 3.37Å; I597-M601 PolarHBondContact O-N 3.35Å; A598-M601 PolarHBondContact O-N 3.33Å; T599-M601 VanDerWaalsContact C-N 3.28Å; T599-M601 PolarHBondContact O-N 2.91Å; M601-T604 PolarHBondContact O-N 2.86Å; M601-V605 VanDerWaalsContact O-CG2 3.26Å; M601-V605 WeakPolarHBondContact O-CG2 3.44Å; M601-V605 PolarHBondContact O-N 2.9Å
602	L	96.1	Very high	94.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.2	-42.3	172.8	-74.6	-175.2	0	0	0	113.3	L537 I583 I586 A598 T599 T604 V605 R606 F622 F632 Y636	L537-L602 HydrophobicContact CD1-CD2 3.73Å; L537-L602 HydrophobicContact CD1-CG 4.22Å; I583-L602 HydrophobicContact CD1-CD1 4.26Å; I583-L602 HydrophobicContact CD1-CD2 3.4Å; I583-L602 HydrophobicContact CD1-CG 4.5Å; I583-L602 HydrophobicContact CG1-CD2 3.81Å; I586-L602 HydrophobicContact CD1-CG 4.32Å; A598-L602 PolarHBondContact O-N 2.96Å; T599-L602 PolarHBondContact O-N 3Å; L602-T604 PolarHBondContact O-N 2.84Å; L602-V605 WeakPolarHBondContact O-CB 3.44Å; L602-V605 PolarHBondContact O-N 2.93Å; L602-V605 VanDerWaalsContact O-N 3.14Å; L602-R606 VanDerWaalsContact O-CG 3.23Å; L602-R606 WeakPolarHBondContact O-CG 3.18Å; L602-R606 PolarHBondContact O-N 2.86Å; L602-F622 HydrophobicContact CD1-CE1 4.27Å; L602-F622 HydrophobicContact CD1-CZ 3.99Å; L602-F632 HydrophobicContact CD1-CE1 3.54Å; L602-F632 HydrophobicContact CD1-CZ 3.75Å; L602-F632 HydrophobicContact CG-CE1 4.31Å; L602-F632 HydrophobicContact CG-CZ 4.35Å; L602-Y636 HydrophobicContact CB-CD2 4.49Å; L602-Y636 HydrophobicContact CB-CE1 4.03Å; L602-Y636 HydrophobicContact CB-CE2 3.87Å; L602-Y636 HydrophobicContact CD1-CD1 3.56Å; L602-Y636 HydrophobicContact CD1-CD2 4.05Å; L602-Y636 HydrophobicContact CD1-CE1 3.71Å; L602-Y636 HydrophobicContact CD1-CE2 4.19Å; L602-Y636 HydrophobicContact CD1-CG 3.76Å
603	D	95.9	Very high	94.2	Very high	54 Å²	54	56 Å²	56	29%	0.289	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-33.5	177.5	-59.8	-39.4	0	0	0	111.7	T599 R600 R606 S607 Y636	T599-D603 VanDerWaalsContact O-CG 3.31Å; T599-D603 PolarHBondContact O-N 2.65Å; T599-D603 VanDerWaalsContact O-OD2 3.1Å; R600-D603 PolarHBondContact O-N 3.15Å; D603-R606 PolarHBondContact O-N 2.9Å; D603-R606 IonicContact OD1-NH1 3.2Å; D603-S607 PolarHBondContact O-N 3.49Å; D603-S607 PolarHBondContact O-OG 2.7Å; D603-Y636 WeakPolarHBondContact OD1-CE2 3.45Å; D603-Y636 PolarHBondContact OD1-OH 3.03Å
604	T	96.1	Very high	94.2	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-76	-35.5	174.8	-53.3	0	0	0	0	112.8	V474 A475 I482 F524 R600 M601 L602 R606 S607 T608	V474-T604 HydrophobicContact CB-CG2 3.97Å; V474-T604 HydrophobicContact CG2-CG2 3.5Å; V474-T604 VanDerWaalsContact CG2-CG2 3.5Å; A475-T604 HydrophobicContact CB-CG2 4.02Å; I482-T604 HydrophobicContact CB-CG2 4.43Å; I482-T604 HydrophobicContact CD1-CG2 4.4Å; I482-T604 WeakPolarHBondContact CD1-OG1 3.48Å; I482-T604 HydrophobicContact CG2-CG2 4.11Å; F524-T604 HydrophobicContact CD1-CG2 4.35Å; F524-T604 HydrophobicContact CE1-CG2 4.37Å; R600-T604 WeakPolarHBondContact O-CB 3.44Å; R600-T604 PolarHBondContact O-N 2.83Å; R600-T604 PolarHBondContact O-OG1 2.91Å; M601-T604 PolarHBondContact O-N 2.86Å; L602-T604 PolarHBondContact O-N 2.84Å; T604-R606 VanDerWaalsContact C-N 3.33Å; T604-S607 PolarHBondContact O-OG 2.76Å; T604-S607 VanDerWaalsContact O-OG 3.14Å; T604-T608 VanDerWaalsContact O-CB 3.22Å; T604-T608 WeakPolarHBondContact O-CB 3.33Å; T604-T608 PolarHBondContact O-N 3.33Å; T604-T608 VanDerWaalsContact O-N 3.11Å; T604-T608 PolarHBondContact O-OG1 3.19Å
605	V	96.1	Very high	94.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-48.4	168.3	169.7	0	0	0	0	109	F524 L537 A539 C581 M601 L602 S607 T608 F609	F524-V605 HydrophobicContact CD1-CG2 4.39Å; F524-V605 HydrophobicContact CD2-CG2 3.69Å; F524-V605 HydrophobicContact CE1-CG2 4.32Å; F524-V605 HydrophobicContact CE2-CB 4.47Å; F524-V605 HydrophobicContact CE2-CG2 3.64Å; F524-V605 HydrophobicContact CG-CG2 4.09Å; F524-V605 HydrophobicContact CZ-CB 4.45Å; F524-V605 HydrophobicContact CZ-CG2 3.96Å; L537-V605 HydrophobicContact CD1-CG2 4.05Å; L537-V605 HydrophobicContact CD2-CG2 3.7Å; L537-V605 HydrophobicContact CG-CG2 4.49Å; A539-V605 HydrophobicContact CB-CG1 4.26Å; C581-V605 VanDerWaalsContact SG-CG1 3.57Å; M601-V605 VanDerWaalsContact O-CG2 3.26Å; M601-V605 WeakPolarHBondContact O-CG2 3.44Å; M601-V605 PolarHBondContact O-N 2.9Å; L602-V605 WeakPolarHBondContact O-CB 3.44Å; L602-V605 PolarHBondContact O-N 2.93Å; L602-V605 VanDerWaalsContact O-N 3.14Å; V605-S607 VanDerWaalsContact C-N 3.28Å; V605-S607 PolarHBondContact O-N 3.09Å; V605-T608 PolarHBondContact O-N 3.32Å; V605-T608 VanDerWaalsContact O-N 3.1Å; V605-F609 HydrophobicContact CG1-CB 4.03Å; V605-F609 HydrophobicContact CG1-CD2 4.35Å; V605-F609 HydrophobicContact CG1-CG 4.43Å; V605-F609 WeakPolarHBondContact O-CA 3.44Å; V605-F609 WeakPolarHBondContact O-CB 3.39Å; V605-F609 PolarHBondContact O-N 3.38Å
606	R	95.7	Very high	94.3	Very high	22 Å²	22	46.9 Å²	46.9	8%	0.083	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-32.5	-176.5	-69.7	169.3	71.1	-144.5	-12.9	114	L602 D603 T604 Y614 L615 T616 I620 Y636	L602-R606 VanDerWaalsContact O-CG 3.23Å; L602-R606 WeakPolarHBondContact O-CG 3.18Å; L602-R606 PolarHBondContact O-N 2.86Å; D603-R606 PolarHBondContact O-N 2.9Å; D603-R606 IonicContact OD1-NH1 3.2Å; T604-R606 VanDerWaalsContact C-N 3.33Å; R606-Y614 HydrophobicContact CB-CD2 4.13Å; R606-Y614 HydrophobicContact CB-CE2 3.68Å; R606-Y614 VanDerWaalsContact CZ-OH 3.32Å; R606-Y614 PolarHBondContact NH1-OH 2.99Å; R606-Y614 VanDerWaalsContact NH1-OH 3.1Å; R606-Y614 WeakPolarHBondContact O-CA 3.26Å; R606-L615 HydrophobicContact CB-CB 4.18Å; R606-L615 HydrophobicContact CG-CB 4.11Å; R606-L615 VanDerWaalsContact CZ-O 3.24Å; R606-L615 PolarHBondContact NE-O 3.27Å; R606-L615 PolarHBondContact NH2-O 2.8Å; R606-L615 PolarHBondContact O-N 3.07Å; R606-T616 PolarHBondContact NE-O 2.76Å; R606-I620 VanDerWaalsContact CD-CD1 3.49Å; R606-I620 HydrophobicContact CG-CD1 3.45Å; R606-I620 VanDerWaalsContact CG-CD1 3.45Å; R606-Y636 WeakPolarHBondContact CD-OH 3.4Å; R606-Y636 PolarHBondContact NH1-OH 3.1Å
607	S	94.9	Very high	94.2	Very high	62 Å²	62	47.6 Å²	47.6	43%	0.434	26%	0.256	S	S	.	.	H	α-helix	trans	-87.2	-18.2	175.5	60.7	0	0	0	0	115.3	D603 T604 V605	D603-S607 PolarHBondContact O-N 3.49Å; D603-S607 PolarHBondContact O-OG 2.7Å; T604-S607 PolarHBondContact O-OG 2.76Å; T604-S607 VanDerWaalsContact O-OG 3.14Å; V605-S607 VanDerWaalsContact C-N 3.28Å; V605-S607 PolarHBondContact O-N 3.09Å
608	T	93.8	Very high	94.1	Very high	39 Å²	39	52.9 Å²	52.9	24%	0.239	28%	0.281	C	S	.	.	H	α-helix	trans	-119.5	-14.5	-170.4	-40.4	0	0	0	0	113.7	V474 L484 F524 T604 V605	V474-T608 HydrophobicContact CB-CG2 4.38Å; V474-T608 HydrophobicContact CG1-CG2 3.86Å; L484-T608 HydrophobicContact CD2-CG2 3.78Å; F524-T608 HydrophobicContact CE1-CG2 4.48Å; T604-T608 VanDerWaalsContact O-CB 3.22Å; T604-T608 WeakPolarHBondContact O-CB 3.33Å; T604-T608 PolarHBondContact O-N 3.33Å; T604-T608 VanDerWaalsContact O-N 3.11Å; T604-T608 PolarHBondContact O-OG1 3.19Å; V605-T608 PolarHBondContact O-N 3.32Å; V605-T608 VanDerWaalsContact O-N 3.1Å
609	F	92.3	Very high	93.9	Very high	8 Å²	8	54.7 Å²	54.7	4%	0.035	29%	0.287	C	S	.	.	S	Bend	trans	-69.8	-38.8	-174.3	-171.6	-96.3	0	0	0	112.4	K522 A539 P541 C581 V605 L615	K522-F609 HydrophobicContact CD-CD2 3.89Å; K522-F609 HydrophobicContact CD-CE2 4.02Å; K522-F609 HydrophobicContact CG-CE2 4.37Å; K522-F609 PolarHBondContact NZ-O 3.44Å; A539-F609 HydrophobicContact CB-CD2 3.87Å; A539-F609 HydrophobicContact CB-CE2 3.76Å; P541-F609 HydrophobicContact CB-CE1 4.23Å; P541-F609 HydrophobicContact CB-CZ 3.89Å; C581-F609 HydrophobicContact CB-CD1 3.81Å; C581-F609 HydrophobicContact CB-CE1 3.89Å; C581-F609 HydrophobicContact CB-CG 4.22Å; C581-F609 HydrophobicContact CB-CZ 4.36Å; V605-F609 HydrophobicContact CG1-CB 4.03Å; V605-F609 HydrophobicContact CG1-CD2 4.35Å; V605-F609 HydrophobicContact CG1-CG 4.43Å; V605-F609 WeakPolarHBondContact O-CA 3.44Å; V605-F609 WeakPolarHBondContact O-CB 3.39Å; V605-F609 PolarHBondContact O-N 3.38Å; F609-L615 HydrophobicContact CB-CD1 4.05Å; F609-L615 HydrophobicContact CD1-CD1 4.07Å; F609-L615 HydrophobicContact CG-CD1 4.37Å
610	M	89.7	Confident	93.9	Very high	74 Å²	74	52.5 Å²	52.5	37%	0.365	27%	0.273	S	S	.	.	S	Bend	trans	-122.5	129.3	170.3	-78.3	169.5	53	0	0	109.2	L580 G612 S613 L615	L580-M610 HydrophobicContact CB-SD 4.13Å; L580-M610 HydrophobicContact CD1-CE 4.11Å; L580-M610 HydrophobicContact CD1-SD 3.85Å; M610-G612 PolarHBondContact O-N 2.81Å; M610-S613 WeakPolarHBondContact CB-OG 3.11Å; M610-S613 PolarHBondContact O-N 3.3Å; M610-S613 PolarHBondContact O-OG 3.36Å; M610-L615 HydrophobicContact SD-CD2 4.13Å
611	Y	89.3	Confident	93.8	Very high	240 Å²	240	51 Å²	51	94%	0.941	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	126.7	-173.1	-179.2	-91.9	0	0	0	111.2
612	G	88.9	Confident	93.6	Very high	81 Å²	81	51.4 Å²	51.4	84%	0.835	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	7.5	178.8	0	0	0	0	0	115.4	M610	M610-G612 PolarHBondContact O-N 2.81Å
613	S	90.8	Very high	93.4	Very high	46 Å²	46	52 Å²	52	32%	0.322	27%	0.273	S	S	.	.			trans	-136	141.9	-178.4	56.3	0	0	0	0	111	M610	M610-S613 WeakPolarHBondContact CB-OG 3.11Å; M610-S613 PolarHBondContact O-N 3.3Å; M610-S613 PolarHBondContact O-OG 3.36Å
614	Y	94.2	Very high	92.9	Very high	132 Å²	132	53.4 Å²	53.4	52%	0.518	28%	0.281	S	S	.	.			trans	-108	112.3	176.4	-176.6	-106.4	0	0	0	109.9	R606	R606-Y614 HydrophobicContact CB-CD2 4.13Å; R606-Y614 HydrophobicContact CB-CE2 3.68Å; R606-Y614 VanDerWaalsContact CZ-OH 3.32Å; R606-Y614 PolarHBondContact NH1-OH 2.99Å; R606-Y614 VanDerWaalsContact NH1-OH 3.1Å; R606-Y614 WeakPolarHBondContact O-CA 3.26Å
615	L	94.5	Very high	92.5	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.016	28%	0.282	C	S	.	.			trans	-63.4	139.6	-177.2	-62.5	175.9	0	0	0	111.3	L580 C581 R606 F609 M610 E619	L580-L615 HydrophobicContact CB-CD2 4.25Å; L580-L615 HydrophobicContact CD1-CD2 3.88Å; C581-L615 HydrophobicContact CB-CD1 3.6Å; R606-L615 HydrophobicContact CB-CB 4.18Å; R606-L615 HydrophobicContact CG-CB 4.11Å; R606-L615 VanDerWaalsContact CZ-O 3.24Å; R606-L615 PolarHBondContact NE-O 3.27Å; R606-L615 PolarHBondContact NH2-O 2.8Å; R606-L615 PolarHBondContact O-N 3.07Å; F609-L615 HydrophobicContact CB-CD1 4.05Å; F609-L615 HydrophobicContact CD1-CD1 4.07Å; F609-L615 HydrophobicContact CG-CD1 4.37Å; M610-L615 HydrophobicContact SD-CD2 4.13Å; L615-E619 HydrophobicContact CD2-CB 4.33Å
616	T	94.6	Very high	92.2	Very high	65 Å²	65	55.8 Å²	55.8	40%	0.399	30%	0.295	S	S	.	.			trans	-64.6	-179.3	166	65.3	0	0	0	0	111.1	R606 E618 E619 I620	R606-T616 PolarHBondContact NE-O 2.76Å; T616-E618 VanDerWaalsContact C-N 3.32Å; T616-E618 PolarHBondContact OG1-N 3.46Å; T616-E619 VanDerWaalsContact CB-OE2 3.26Å; T616-E619 WeakPolarHBondContact CB-OE2 3.49Å; T616-E619 VanDerWaalsContact CG2-OE2 3.31Å; T616-E619 WeakPolarHBondContact CG2-OE2 3.45Å; T616-E619 PolarHBondContact N-OE2 2.83Å; T616-E619 WeakPolarHBondContact OG1-CG 3.44Å; T616-E619 PolarHBondContact OG1-N 2.9Å; T616-E619 PolarHBondContact OG1-OE2 3.34Å; T616-I620 VanDerWaalsContact O-CD1 3.25Å; T616-I620 WeakPolarHBondContact O-CD1 3.22Å; T616-I620 WeakPolarHBondContact O-CG1 3.34Å
617	K	93.7	Very high	91.8	Very high	63 Å²	63	58.3 Å²	58.3	27%	0.274	31%	0.314	S	S	.	.	S	Bend	trans	-83.2	-10.3	172.3	-67.3	175.7	170.6	-163.4	0	113	Y636 N638	K617-Y636 WeakPolarHBondContact CE-O 3.39Å; K617-Y636 HydrophobicContact CG-CE1 4.35Å; K617-Y636 PolarHBondContact NZ-O 3.34Å; K617-N638 PolarHBondContact NZ-ND2 3.48Å; K617-N638 PolarHBondContact NZ-OD1 3.44Å
618	E	92.5	Very high	91.5	Very high	116 Å²	116	57.8 Å²	57.8	54%	0.542	31%	0.307	S	S	.	.	S	Bend	trans	-99.7	-30	-173.1	-58.2	-171.8	134.3	0	0	111.5	T616 I620 L643	T616-E618 VanDerWaalsContact C-N 3.32Å; T616-E618 PolarHBondContact OG1-N 3.46Å; E618-I620 PolarHBondContact O-N 2.77Å; E618-L643 WeakPolarHBondContact O-CD1 3.38Å
619	E	93.7	Very high	91.4	Very high	57 Å²	57	56.5 Å²	56.5	27%	0.266	30%	0.301	S	S	.	.	S	Bend	trans	-70	6.2	171.7	-66	158.3	115.2	0	0	114.1	L580 C581 L615 T616	L580-E619 HydrophobicContact CB-CB 4.39Å; L580-E619 HydrophobicContact CD1-CB 4.32Å; L580-E619 HydrophobicContact CD1-CG 4.15Å; L580-E619 VanDerWaalsContact CD1-OE1 3.25Å; L580-E619 WeakPolarHBondContact CD1-OE1 3.29Å; L580-E619 HydrophobicContact CG-CB 4.24Å; L580-E619 HydrophobicContact CG-CG 4.35Å; L580-E619 PolarHBondContact N-O 3.28Å; C581-E619 PolarHBondContact N-O 3.25Å; L615-E619 HydrophobicContact CD2-CB 4.33Å; T616-E619 VanDerWaalsContact CB-OE2 3.26Å; T616-E619 WeakPolarHBondContact CB-OE2 3.49Å; T616-E619 VanDerWaalsContact CG2-OE2 3.31Å; T616-E619 WeakPolarHBondContact CG2-OE2 3.45Å; T616-E619 PolarHBondContact N-OE2 2.83Å; T616-E619 WeakPolarHBondContact OG1-CG 3.44Å; T616-E619 PolarHBondContact OG1-N 2.9Å; T616-E619 PolarHBondContact OG1-OE2 3.34Å
620	I	95.1	Very high	91.2	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.5	-175	-46.2	172.2	0	0	0	109.9	C581 I583 R606 T616 E618	C581-I620 WeakPolarHBondContact O-CA 3.15Å; I583-I620 HydrophobicContact CD1-CG2 3.44Å; I583-I620 VanDerWaalsContact CD1-CG2 3.44Å; I583-I620 HydrophobicContact CG1-CG2 3.8Å; R606-I620 VanDerWaalsContact CD-CD1 3.49Å; R606-I620 HydrophobicContact CG-CD1 3.45Å; R606-I620 VanDerWaalsContact CG-CD1 3.45Å; T616-I620 VanDerWaalsContact O-CD1 3.25Å; T616-I620 WeakPolarHBondContact O-CD1 3.22Å; T616-I620 WeakPolarHBondContact O-CG1 3.34Å; E618-I620 PolarHBondContact O-N 2.77Å
621	A	94.8	Very high	91.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	154.2	173.9	0	0	0	0	0	112.3	I542 A545 C581 G582 I583 L643 Y645	I542-A621 HydrophobicContact CD1-CB 3.68Å; A545-A621 HydrophobicContact CB-CB 3.38Å; C581-A621 PolarHBondContact O-N 3.27Å; G582-A621 CarbonylContact C-O 3.6Å; G582-A621 WeakPolarHBondContact CA-O 3.49Å; I583-A621 PolarHBondContact N-O 3.5Å; A621-L643 VanDerWaalsContact CA-O 3.28Å; A621-L643 WeakPolarHBondContact CA-O 3.41Å; A621-L643 HydrophobicContact CB-CB 3.72Å; A621-Y645 HydrophobicContact CB-CD1 3.75Å; A621-Y645 HydrophobicContact CB-CG 4.42Å
622	F	93.5	Very high	91.5	Very high	7 Å²	7	51.3 Å²	51.3	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	135.3	177.4	-62.9	-105.1	0	0	0	110.3	I583 L602 F632 A633 F642 L643 I644 Y645	I583-F622 HydrophobicContact CB-CD1 4.32Å; I583-F622 HydrophobicContact CD1-CD1 3.51Å; I583-F622 HydrophobicContact CD1-CD2 4.05Å; I583-F622 HydrophobicContact CD1-CE1 3.33Å; I583-F622 HydrophobicContact CD1-CE2 3.88Å; I583-F622 HydrophobicContact CD1-CG 3.87Å; I583-F622 HydrophobicContact CD1-CZ 3.52Å; I583-F622 HydrophobicContact CG2-CD1 4.48Å; L602-F622 HydrophobicContact CD1-CE1 4.27Å; L602-F622 HydrophobicContact CD1-CZ 3.99Å; F622-F632 HydrophobicContact CE1-CD1 4.28Å; F622-F632 HydrophobicContact CE1-CE1 4.28Å; F622-A633 HydrophobicContact CD1-CB 4.3Å; F622-A633 HydrophobicContact CD2-CB 4.02Å; F622-A633 HydrophobicContact CE1-CB 3.95Å; F622-A633 HydrophobicContact CE2-CB 3.67Å; F622-A633 HydrophobicContact CG-CB 4.34Å; F622-A633 HydrophobicContact CZ-CB 3.63Å; F622-F642 AromaticContact CD2-CD2 3.8Å; F622-F642 HydrophobicContact CD2-CD2 3.8Å; F622-F642 HydrophobicContact CD2-CE2 4.27Å; F622-F642 HydrophobicContact CE2-CD2 4.3Å; F622-L643 PolarHBondContact N-O 2.99Å; F622-I644 CarbonylContact O-C 3.59Å; F622-I644 WeakPolarHBondContact O-CA 3.43Å; F622-I644 WeakPolarHBondContact O-CB 3.38Å; F622-Y645 PolarHBondContact O-N 3.25Å
623	S	90.5	Very high	91.8	Very high	12 Å²	12	47.4 Å²	47.4	8%	0.084	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129	171	71.7	0	0	0	0	110.7	I583 S584 Y645	I583-S623 PolarHBondContact O-N 2.77Å; I583-S623 PolarHBondContact O-OG 3.48Å; S584-S623 WeakPolarHBondContact CA-OG 3.5Å; S584-S623 PolarHBondContact O-OG 3.17Å; S623-Y645 WeakPolarHBondContact CA-O 3.5Å; S623-Y645 VanDerWaalsContact N-CE1 3.32Å
624	D	86.3	Confident	91.8	Very high	85 Å²	85	47.1 Å²	47.1	46%	0.455	24%	0.243	S	C	.	.	S	Bend	trans	38.8	69.1	172.5	-168.1	24	0	0	0	114.2	T626	D624-T626 PolarHBondContact O-N 3.4Å
625	P	88.4	Confident	91.8	Very high	11 Å²	11	49.2 Å²	49.2	7%	0.071	25%	0.254	C	S	.	.			trans	-69.2	116.6	-170.5	28.8	-36.1	0	0	0	112	F642 I644	P625-F642 HydrophobicContact CB-CE2 4.35Å; P625-F642 HydrophobicContact CB-CZ 4.46Å; P625-F642 HydrophobicContact CG-CE2 4.15Å; P625-F642 HydrophobicContact CG-CZ 4.28Å; P625-I644 HydrophobicContact CG-CG2 3.74Å
626	T	88.4	Confident	91.8	Very high	45 Å²	45	49.8 Å²	49.8	28%	0.276	26%	0.256	S	S	.	.			trans	-57.9	161.8	167.8	67.6	0	0	0	0	111.2	L508 D624 D628 G629 K630	L508-T626 HydrophobicContact CD2-CG2 4.19Å; D624-T626 PolarHBondContact O-N 3.4Å; T626-D628 VanDerWaalsContact C-N 3.26Å; T626-D628 PolarHBondContact O-N 3.35Å; T626-G629 CarbonylContact O-C 3.59Å; T626-G629 WeakPolarHBondContact O-CA 3.19Å; T626-G629 PolarHBondContact O-N 2.92Å; T626-G629 PolarHBondContact OG1-N 3.08Å; T626-K630 PolarHBondContact O-N 2.72Å
627	P	87.6	Confident	91.7	Very high	74 Å²	74	47.3 Å²	47.3	48%	0.481	24%	0.242	S	C	.	.	H	α-helix	trans	-56.9	-37	179.2	-28	36.2	0	0	0	114.1	G629 K630 L631	P627-G629 VanDerWaalsContact C-N 3.31Å; P627-K630 PolarHBondContact O-N 3.15Å; P627-L631 WeakPolarHBondContact O-CG 3.43Å; P627-L631 PolarHBondContact O-N 3.48Å
628	D	89.6	Confident	91.6	Very high	52 Å²	52	50.3 Å²	50.3	28%	0.278	26%	0.261	S	S	.	.	H	α-helix	trans	-68.1	-34.4	173.8	-141.3	9.5	0	0	0	110.8	R593 R594 T626 F632	R593-D628 IonicContact NH1-OD2 3.2Å; R593-D628 PolarHBondContact NH1-OD2 3.22Å; R594-D628 IonicContact CZ-OD1 3.9Å; R594-D628 IonicContact NH1-OD1 2.74Å; R594-D628 PolarHBondContact NH1-OD1 3.1Å; R594-D628 IonicContact NH2-OD1 3.7Å; R594-D628 PolarHBondContact NH2-OD1 2.87Å; T626-D628 VanDerWaalsContact C-N 3.26Å; T626-D628 PolarHBondContact O-N 3.35Å; D628-F632 WeakPolarHBondContact O-CB 3.26Å; D628-F632 PolarHBondContact O-N 2.9Å; D628-F632 VanDerWaalsContact O-N 3.13Å
629	G	90.9	Very high	91.4	Very high	11 Å²	11	47 Å²	47	11%	0.113	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-44.9	170.8	0	0	0	0	0	113.9	T626 P627 F632 A633	T626-G629 CarbonylContact O-C 3.59Å; T626-G629 WeakPolarHBondContact O-CA 3.19Å; T626-G629 PolarHBondContact O-N 2.92Å; T626-G629 PolarHBondContact OG1-N 3.08Å; P627-G629 VanDerWaalsContact C-N 3.31Å; G629-F632 PolarHBondContact O-N 2.98Å; G629-A633 WeakPolarHBondContact O-CB 3.37Å; G629-A633 PolarHBondContact O-N 3.33Å
630	K	89.4	Confident	91.1	Very high	71 Å²	71	46.1 Å²	46.1	31%	0.309	25%	0.248	S	C	.	.	H	α-helix	trans	-60.4	-48.8	175.5	-171.7	-115.5	-172.5	165.3	0	111.4	W570 T626 P627 F632 A633 T634 F642	W570-K630 HydrophobicContact CE3-CG 4.35Å; W570-K630 HydrophobicContact CH2-CB 3.66Å; W570-K630 HydrophobicContact CH2-CD 3.65Å; W570-K630 HydrophobicContact CH2-CG 3.64Å; W570-K630 HydrophobicContact CZ2-CB 4.09Å; W570-K630 HydrophobicContact CZ2-CG 4.41Å; W570-K630 HydrophobicContact CZ3-CB 4.17Å; W570-K630 HydrophobicContact CZ3-CD 3.48Å; W570-K630 VanDerWaalsContact CZ3-CD 3.48Å; W570-K630 HydrophobicContact CZ3-CG 3.6Å; T626-K630 PolarHBondContact O-N 2.72Å; P627-K630 PolarHBondContact O-N 3.15Å; K630-F632 PolarHBondContact O-N 2.75Å; K630-A633 PolarHBondContact O-N 3.45Å; K630-T634 WeakPolarHBondContact O-CB 3.37Å; K630-T634 PolarHBondContact O-N 2.85Å; K630-T634 PolarHBondContact O-OG1 2.99Å; K630-F642 HydrophobicContact CB-CZ 4.38Å; K630-F642 HydrophobicContact CG-CE1 3.87Å; K630-F642 HydrophobicContact CG-CZ 3.96Å
631	L	90.9	Very high	90.8	Very high	110 Å²	110	47.7 Å²	47.7	58%	0.576	26%	0.258	S	S	*	.	H	α-helix	trans	-60.3	-33.3	177.8	-68.1	173.2	0	0	0	112.4	P627 K635	P627-L631 WeakPolarHBondContact O-CG 3.43Å; P627-L631 PolarHBondContact O-N 3.48Å; L631-K635 WeakPolarHBondContact O-CB 3.48Å
632	F	94.3	Very high	90.7	Very high	32 Å²	32	48 Å²	48	14%	0.14	26%	0.259	C	S	.	.	H	α-helix	trans	-74.3	-48.2	172.7	173.9	-107.6	0	0	0	112.7	I586 A598 L602 F622 D628 G629 K630 K635 Y636	I586-F632 HydrophobicContact CD1-CD1 4.27Å; I586-F632 HydrophobicContact CD1-CE1 3.58Å; I586-F632 HydrophobicContact CD1-CZ 4.19Å; A598-F632 VanDerWaalsContact C-CZ 3.49Å; A598-F632 HydrophobicContact CB-CD2 4.17Å; A598-F632 HydrophobicContact CB-CE1 4.08Å; A598-F632 HydrophobicContact CB-CE2 3.57Å; A598-F632 HydrophobicContact CB-CZ 3.52Å; L602-F632 HydrophobicContact CD1-CE1 3.54Å; L602-F632 HydrophobicContact CD1-CZ 3.75Å; L602-F632 HydrophobicContact CG-CE1 4.31Å; L602-F632 HydrophobicContact CG-CZ 4.35Å; F622-F632 HydrophobicContact CE1-CD1 4.28Å; F622-F632 HydrophobicContact CE1-CE1 4.28Å; D628-F632 WeakPolarHBondContact O-CB 3.26Å; D628-F632 PolarHBondContact O-N 2.9Å; D628-F632 VanDerWaalsContact O-N 3.13Å; G629-F632 PolarHBondContact O-N 2.98Å; K630-F632 PolarHBondContact O-N 2.75Å; F632-K635 CarbonylContact O-C 3.58Å; F632-K635 PolarHBondContact O-N 3.35Å; F632-Y636 HydrophobicContact CZ-CD2 4.27Å; F632-Y636 HydrophobicContact CZ-CG 4.41Å; F632-Y636 VanDerWaalsContact O-CB 3.32Å; F632-Y636 WeakPolarHBondContact O-CB 3.21Å; F632-Y636 PolarHBondContact O-N 3.34Å
633	A	93.4	Very high	90.7	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-49.2	-178.1	0	0	0	0	0	111.8	F622 G629 K630 K635 Y636 C637 F642	F622-A633 HydrophobicContact CD1-CB 4.3Å; F622-A633 HydrophobicContact CD2-CB 4.02Å; F622-A633 HydrophobicContact CE1-CB 3.95Å; F622-A633 HydrophobicContact CE2-CB 3.67Å; F622-A633 HydrophobicContact CG-CB 4.34Å; F622-A633 HydrophobicContact CZ-CB 3.63Å; G629-A633 WeakPolarHBondContact O-CB 3.37Å; G629-A633 PolarHBondContact O-N 3.33Å; K630-A633 PolarHBondContact O-N 3.45Å; A633-K635 VanDerWaalsContact C-N 3.31Å; A633-K635 PolarHBondContact O-N 3.18Å; A633-Y636 PolarHBondContact O-N 3.23Å; A633-Y636 VanDerWaalsContact O-N 3.07Å; A633-C637 WeakPolarHBondContact O-CB 3.47Å; A633-C637 PolarHBondContact O-N 3.14Å; A633-F642 HydrophobicContact CB-CD1 3.95Å; A633-F642 HydrophobicContact CB-CD2 3.73Å; A633-F642 HydrophobicContact CB-CE1 3.93Å; A633-F642 HydrophobicContact CB-CE2 3.68Å; A633-F642 HydrophobicContact CB-CG 3.87Å; A633-F642 HydrophobicContact CB-CZ 3.8Å
634	T	92.1	Very high	90.8	Very high	40 Å²	40	47.9 Å²	47.9	25%	0.245	26%	0.257	C	S	.	.	H	α-helix	trans	-56.2	-44.4	174.9	-63.3	0	0	0	0	111.9	K630 N638 T639 P640	K630-T634 WeakPolarHBondContact O-CB 3.37Å; K630-T634 PolarHBondContact O-N 2.85Å; K630-T634 PolarHBondContact O-OG1 2.99Å; T634-N638 WeakPolarHBondContact O-CA 3.24Å; T634-N638 PolarHBondContact O-N 3.35Å; T634-N638 VanDerWaalsContact O-N 3.08Å; T634-T639 WeakPolarHBondContact CA-O 3.38Å; T634-T639 PolarHBondContact O-N 3.32Å; T634-P640 HydrophobicContact CG2-CB 4.48Å
635	K	94.2	Very high	91	Very high	175 Å²	175	44.5 Å²	44.5	76%	0.761	24%	0.238	S	C	*	.	H	α-helix	trans	-72.1	-26.4	177.6	-177.8	165.6	177.1	167.3	0	113.5	L631 F632 A633 N638	L631-K635 WeakPolarHBondContact O-CB 3.48Å; F632-K635 CarbonylContact O-C 3.58Å; F632-K635 PolarHBondContact O-N 3.35Å; A633-K635 VanDerWaalsContact C-N 3.31Å; A633-K635 PolarHBondContact O-N 3.18Å; K635-N638 PolarHBondContact O-OD1 3.31Å
636	Y	94.8	Very high	90.7	Very high	15 Å²	15	48 Å²	48	6%	0.059	26%	0.256	C	S	.	.	H	α-helix	trans	-81.7	-45.7	178.1	-176.1	-94.8	0	0	0	111.8	T599 L602 D603 R606 K617 F632 A633 N638	T599-Y636 HydrophobicContact CG2-CD2 3.99Å; T599-Y636 HydrophobicContact CG2-CE2 3.89Å; L602-Y636 HydrophobicContact CB-CD2 4.49Å; L602-Y636 HydrophobicContact CB-CE1 4.03Å; L602-Y636 HydrophobicContact CB-CE2 3.87Å; L602-Y636 HydrophobicContact CD1-CD1 3.56Å; L602-Y636 HydrophobicContact CD1-CD2 4.05Å; L602-Y636 HydrophobicContact CD1-CE1 3.71Å; L602-Y636 HydrophobicContact CD1-CE2 4.19Å; L602-Y636 HydrophobicContact CD1-CG 3.76Å; D603-Y636 WeakPolarHBondContact OD1-CE2 3.45Å; D603-Y636 PolarHBondContact OD1-OH 3.03Å; R606-Y636 WeakPolarHBondContact CD-OH 3.4Å; R606-Y636 PolarHBondContact NH1-OH 3.1Å; K617-Y636 WeakPolarHBondContact CE-O 3.39Å; K617-Y636 HydrophobicContact CG-CE1 4.35Å; K617-Y636 PolarHBondContact NZ-O 3.34Å; F632-Y636 HydrophobicContact CZ-CD2 4.27Å; F632-Y636 HydrophobicContact CZ-CG 4.41Å; F632-Y636 VanDerWaalsContact O-CB 3.32Å; F632-Y636 WeakPolarHBondContact O-CB 3.21Å; F632-Y636 PolarHBondContact O-N 3.34Å; A633-Y636 PolarHBondContact O-N 3.23Å; A633-Y636 VanDerWaalsContact O-N 3.07Å; Y636-N638 PolarHBondContact O-N 3.23Å
637	C	92.4	Very high	90	Very high	14 Å²	14	48.8 Å²	48.8	10%	0.095	26%	0.256	C	S	.	.	H	α-helix	trans	-68.7	-24.3	177.5	-66.7	0	0	0	0	112.2	A633 T639 F642	A633-C637 WeakPolarHBondContact O-CB 3.47Å; A633-C637 PolarHBondContact O-N 3.14Å; C637-T639 WeakPolarHBondContact CB-OG1 3.22Å; C637-F642 HydrophobicContact CB-CB 4.18Å
638	N	91.6	Very high	88.7	Confident	126 Å²	126	53.3 Å²	53.3	67%	0.674	27%	0.274	S	S	*	.	S	Bend	trans	66	13.9	-165.3	-53.9	-14.3	0	0	0	113.1	K617 T634 K635 Y636	K617-N638 PolarHBondContact NZ-ND2 3.48Å; K617-N638 PolarHBondContact NZ-OD1 3.44Å; T634-N638 WeakPolarHBondContact O-CA 3.24Å; T634-N638 PolarHBondContact O-N 3.35Å; T634-N638 VanDerWaalsContact O-N 3.08Å; K635-N638 PolarHBondContact O-OD1 3.31Å; Y636-N638 PolarHBondContact O-N 3.23Å
639	T	88.7	Confident	86.4	Confident	47 Å²	47	58 Å²	58	29%	0.288	32%	0.321	S	S	.	.	S	Bend	trans	-133.9	140.7	-178.1	54.8	0	0	0	0	110.1	T634 C637	T634-T639 WeakPolarHBondContact CA-O 3.38Å; T634-T639 PolarHBondContact O-N 3.32Å; C637-T639 WeakPolarHBondContact CB-OG1 3.22Å
640	P	85.9	Confident	86.2	Confident	38 Å²	38	60.4 Å²	60.4	25%	0.247	33%	0.331	C	S	.	.	S	Bend	trans	-68.1	-30.3	172	26.2	-30.4	0	0	0	111.4	E550 T634 F642	E550-P640 HydrophobicContact CB-CB 4.38Å; E550-P640 HydrophobicContact CB-CG 4.47Å; E550-P640 HydrophobicContact CG-CB 4.31Å; E550-P640 HydrophobicContact CG-CG 4.44Å; E550-P640 WeakPolarHBondContact OE1-CB 3.36Å; E550-P640 WeakPolarHBondContact OE1-CG 3.4Å; E550-P640 WeakPolarHBondContact OE2-CG 3.35Å; T634-P640 HydrophobicContact CG2-CB 4.48Å; P640-F642 WeakPolarHBondContact O-CD1 3.38Å; P640-F642 PolarHBondContact O-N 2.97Å
641	T	89.6	Confident	86	Confident	37 Å²	37	59.8 Å²	59.8	23%	0.227	33%	0.332	C	S	.	.	S	Bend	trans	-92.9	63.3	-176.8	58	0	0	0	0	112.5	R547 V548 E550	R547-T641 WeakPolarHBondContact CG-O 3.49Å; R547-T641 PolarHBondContact NH1-O 3.02Å; R547-T641 PolarHBondContact NH1-OG1 2.99Å; V548-T641 VanDerWaalsContact O-CA 3.27Å; V548-T641 WeakPolarHBondContact O-CA 3.32Å; V548-T641 VanDerWaalsContact O-CB 3.28Å; V548-T641 WeakPolarHBondContact O-CB 3.46Å; V548-T641 VanDerWaalsContact O-CG2 3.31Å; V548-T641 WeakPolarHBondContact O-CG2 3.36Å; E550-T641 HydrophobicContact CB-CG2 4.11Å
642	F	92.9	Very high	85.7	Confident	6 Å²	6	57 Å²	57	3%	0.026	32%	0.319	C	S	.	.			trans	-80.7	165.2	173.3	63.3	-86.7	0	0	0	112	V548 F622 P625 K630 A633 C637 P640 I644	V548-F642 WeakPolarHBondContact CB-O 3.46Å; V548-F642 HydrophobicContact CG2-CD2 4.27Å; V548-F642 HydrophobicContact CG2-CE1 4.36Å; V548-F642 HydrophobicContact CG2-CE2 3.98Å; V548-F642 HydrophobicContact CG2-CZ 4.02Å; V548-F642 WeakPolarHBondContact CG2-O 3.08Å; V548-F642 PolarHBondContact N-O 2.99Å; F622-F642 AromaticContact CD2-CD2 3.8Å; F622-F642 HydrophobicContact CD2-CD2 3.8Å; F622-F642 HydrophobicContact CD2-CE2 4.27Å; F622-F642 HydrophobicContact CE2-CD2 4.3Å; P625-F642 HydrophobicContact CB-CE2 4.35Å; P625-F642 HydrophobicContact CB-CZ 4.46Å; P625-F642 HydrophobicContact CG-CE2 4.15Å; P625-F642 HydrophobicContact CG-CZ 4.28Å; K630-F642 HydrophobicContact CB-CZ 4.38Å; K630-F642 HydrophobicContact CG-CE1 3.87Å; K630-F642 HydrophobicContact CG-CZ 3.96Å; A633-F642 HydrophobicContact CB-CD1 3.95Å; A633-F642 HydrophobicContact CB-CD2 3.73Å; A633-F642 HydrophobicContact CB-CE1 3.93Å; A633-F642 HydrophobicContact CB-CE2 3.68Å; A633-F642 HydrophobicContact CB-CG 3.87Å; A633-F642 HydrophobicContact CB-CZ 3.8Å; C637-F642 HydrophobicContact CB-CB 4.18Å; P640-F642 WeakPolarHBondContact O-CD1 3.38Å; P640-F642 PolarHBondContact O-N 2.97Å; F642-I644 HydrophobicContact CD2-CG2 4.09Å; F642-I644 HydrophobicContact CE2-CG2 3.62Å
643	L	93.9	Very high	85.2	Confident	7 Å²	7	58.5 Å²	58.5	4%	0.037	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	142.2	179.5	-58.5	-166.7	0	0	0	113	A545 R547 E577 A579 E618 A621 F622	A545-L643 HydrophobicContact CB-CB 3.95Å; A545-L643 HydrophobicContact CB-CD1 4.03Å; R547-L643 HydrophobicContact CB-CD2 3.73Å; R547-L643 HydrophobicContact CG-CD2 4.33Å; E577-L643 HydrophobicContact CB-CD1 4.18Å; E577-L643 HydrophobicContact CB-CD2 4.2Å; A579-L643 HydrophobicContact CB-CD1 4.05Å; E618-L643 WeakPolarHBondContact O-CD1 3.38Å; A621-L643 VanDerWaalsContact CA-O 3.28Å; A621-L643 WeakPolarHBondContact CA-O 3.41Å; A621-L643 HydrophobicContact CB-CB 3.72Å; F622-L643 PolarHBondContact N-O 2.99Å
644	I	92.5	Very high	84.7	Confident	9 Å²	9	62.1 Å²	62.1	5%	0.046	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155.6	170.9	58.9	164.5	0	0	0	112.2	A545 Y546 V548 C572 F622 P625 F642 F647	A545-I644 CarbonylContact C-O 3.55Å; A545-I644 WeakPolarHBondContact CA-O 3.34Å; A545-I644 WeakPolarHBondContact CB-O 3.14Å; Y546-I644 PolarHBondContact N-O 2.89Å; Y546-I644 WeakPolarHBondContact O-CG1 3.44Å; Y546-I644 PolarHBondContact O-N 3.26Å; V548-I644 HydrophobicContact CG2-CB 4.3Å; V548-I644 HydrophobicContact CG2-CD1 4.05Å; V548-I644 HydrophobicContact CG2-CG1 3.88Å; V548-I644 HydrophobicContact CG2-CG2 3.54Å; C572-I644 HydrophobicContact CB-CD1 4.06Å; C572-I644 HydrophobicContact CB-CG1 4.47Å; F622-I644 CarbonylContact O-C 3.59Å; F622-I644 WeakPolarHBondContact O-CA 3.43Å; F622-I644 WeakPolarHBondContact O-CB 3.38Å; P625-I644 HydrophobicContact CG-CG2 3.74Å; F642-I644 HydrophobicContact CD2-CG2 4.09Å; F642-I644 HydrophobicContact CE2-CG2 3.62Å; I644-F647 HydrophobicContact CD1-CD1 3.65Å; I644-F647 HydrophobicContact CD1-CE1 3.88Å; I644-F647 HydrophobicContact CD1-CG 4.39Å; I644-F647 HydrophobicContact CG1-CD1 4Å; I644-F647 HydrophobicContact CG1-CE1 3.98Å
645	Y	90.3	Very high	84.2	Confident	15 Å²	15	63.6 Å²	63.6	6%	0.059	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	171.1	175.6	79.1	-72.2	0	0	0	110.8	E540 I542 G582 S584 A621 F622 S623 F647	E540-Y645 HydrophobicContact CG-CE2 4.37Å; E540-Y645 WeakPolarHBondContact CG-OH 3.41Å; E540-Y645 PolarHBondContact OE1-OH 2.92Å; I542-Y645 HydrophobicContact CD1-CD1 4.23Å; I542-Y645 HydrophobicContact CD1-CG 4.21Å; I542-Y645 HydrophobicContact CG2-CD2 3.8Å; I542-Y645 HydrophobicContact CG2-CE2 3.71Å; I542-Y645 HydrophobicContact CG2-CG 4.41Å; G582-Y645 PolarHBondContact O-OH 3.23Å; S584-Y645 VanDerWaalsContact CA-OH 3.22Å; S584-Y645 WeakPolarHBondContact CA-OH 3.35Å; S584-Y645 WeakPolarHBondContact CB-OH 3.37Å; S584-Y645 PolarHBondContact N-OH 2.62Å; A621-Y645 HydrophobicContact CB-CD1 3.75Å; A621-Y645 HydrophobicContact CB-CG 4.42Å; F622-Y645 PolarHBondContact O-N 3.25Å; S623-Y645 WeakPolarHBondContact CA-O 3.5Å; S623-Y645 VanDerWaalsContact N-CE1 3.32Å; Y645-F647 PolarHBondContact O-N 2.79Å; Y645-F647 VanDerWaalsContact O-N 3.09Å
646	N	82.1	Confident	83.5	Confident	84 Å²	84	55.6 Å²	55.6	45%	0.449	33%	0.328	S	S	.	.	S	Bend	trans	54.5	32.1	173.5	-159.2	66.5	0	0	0	114.6	S516	S516-N646 PolarHBondContact OG-OD1 2.9Å
647	F	73.5	Confident	82.7	Confident	61 Å²	61	58.8 Å²	58.8	27%	0.268	35%	0.348	S	S	.	.			trans	-85	158.1	163.3	58.3	-91.2	0	0	0	109.8	Y546 C572 I644 Y645 A649	Y546-F647 AromaticContact CD2-CE1 3.54Å; Y546-F647 HydrophobicContact CD2-CE1 3.54Å; Y546-F647 AromaticContact CD2-CZ 3.65Å; Y546-F647 HydrophobicContact CD2-CZ 3.65Å; Y546-F647 HydrophobicContact CE2-CE1 4.33Å; Y546-F647 HydrophobicContact CE2-CZ 4.21Å; Y546-F647 HydrophobicContact CG-CE1 4.03Å; Y546-F647 AromaticContact CG-CZ 3.94Å; Y546-F647 HydrophobicContact CG-CZ 3.94Å; C572-F647 HydrophobicContact CB-CZ 4.48Å; C572-F647 WeakPolarHBondContact SG-CZ 3.23Å; I644-F647 HydrophobicContact CD1-CD1 3.65Å; I644-F647 HydrophobicContact CD1-CE1 3.88Å; I644-F647 HydrophobicContact CD1-CG 4.39Å; I644-F647 HydrophobicContact CG1-CD1 4Å; I644-F647 HydrophobicContact CG1-CE1 3.98Å; Y645-F647 PolarHBondContact O-N 2.79Å; Y645-F647 VanDerWaalsContact O-N 3.09Å; F647-A649 HydrophobicContact CD2-CB 4.48Å; F647-A649 HydrophobicContact CE2-CB 4.23Å
648	I	60.6	Low	81.8	Confident	169 Å²	169	62.5 Å²	62.5	87%	0.867	37%	0.37	S	S	*	.			trans	-88.1	130.3	169.6	-57.3	174.7	0	0	0	107.2
649	A	40.6	Very low	81	Confident	151 Å²	151	56.7 Å²	56.7	100%	1.248	34%	0.342	S	S	*	.			trans	-102.3	0	174.7	0	0	0	0	0	110.6	F647	F647-A649 HydrophobicContact CD2-CB 4.48Å; F647-A649 HydrophobicContact CE2-CB 4.23Å

Retrieved 649 of 649 residues in 223.8 ms (Link to these results)

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