A0A5K4F4E3_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4F4E3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,200 aa.

						>A0A5K4F4E3_SCHMA|A0A5K4F4E3
MFSNIRRKFTHPRSKPNSPTGQCLTKKEEGTTKKDRVEFVKRESNSNEPLSLRNTFTESDYTKTTTISSVHNEVTLNGCDTKNFDNSNSQKYPSTLNHHHLNETASETMNSSLHNNTNNSQCQNNKTDDTCKTTVSNKSNFHKDSIVYSSQLDINNNNNTSSPGSESFLGSFDGCGSGGGDGGRGGSSTSYLSPASSSAKDSKTEEDLEEEKYFNNNSNIDNCNNKSIMKNHNSCDHQQLSSSPKILTTHLIQNKLNPDSLSTISQSLNITTNNKTHHSSDNNNNNTCIHKNETCNVCDQNSNHLNNTCNINCQINSTPSIDESPVYDNYIPDIISSLTAMTTTINHNSVKLLTTTNSSKHSQHQLLMSNNNSSSNNNNNFMQTNNDHIHQSPHITSSTTNHSPVFTMNGINKPWSSVDGYNTSRIVVGTTIKEEEIESEEFNSLTTFQSCNTEKNLKNSTSTKSLSSNQQKLMNSYNHVKDPLNLPIQLGPHLAAAVVQASDETGTTTADLVAGLAEVRRRPIDARNRLRRLGLMQTPDNGNFYEELSFDNKVGNSISNRLSLPASINLPPHLWHRATQFLEEPMSRRERRCSLSEIGFGKLESYAKLDLLGQGTYATVYKGKSLLTETLVALKEIRLEHDEGAPCTAIREVSLLRNLRHANIVTLHDIIHTEKSLTLVFEYVERDLKQYLHDCHGIMHSDNVQLFLYQLLRGLAYCHERRILHRDLKPQNLLINSRGDLKLADFGLARAKSIPIKTYSNEVVTLWYRPPDILLGSTEYSTHIDMWGVGCIFYEMATGWPLFPGSTVEEQLTLIFKRLGTPNERSWPGVTSHPDYSKSLKYGPYPGEPGGLSHLTPRLSRRAHRLMAELLVFPGIQRISAMKALKHEYFTDSSRFPFHTFNSLSADSSVFDVPGVRLACDPGRSASLPTNRMSTSSYFSSTNGYNNNNIVRCTNSQLKVNPHHRHSQIEMNNLMKHRNNHDYYRNQMSGLSNCNNVKMKASQFQSYTKNINTTTTTNNNNSNSNNNNTDTNNNNSNNNNNHFFPKYHCEISNLPPAPPPHQSISSNSMCALQVYFNNTTGNTNNNNNNNNAYCRPYSTAFESNYPLPAISNSRSFINSDFVLGPTKFNDQHQIKPIIGSTIIGLDVTNCTTSISNNINETSNNATTVVYKPQTINRSNWLNIGRQSSGRFEDRRRSLFS
					

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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	38.2	Very low	34.5	Very low	195 Å²	195	166.6 Å²	166.6	96%	0.961	80%	0.795	S	S	*	*				0	8.3	0	-77.9	166.6	151.5	0	0	112.3
2	F	29.8	Very low	34.9	Very low	191 Å²	191	160.5 Å²	160.5	84%	0.838	78%	0.779	S	S	*	*			trans	-123.2	162.1	151.6	-72	-86.7	0	0	0	106.8
3	S	32.7	Very low	34.5	Very low	82 Å²	82	163.3 Å²	163.3	57%	0.573	78%	0.776	S	S	*	*	S	Bend	trans	61.5	62.1	-178.8	-46.7	0	0	0	0	116
4	N	38.4	Very low	34.5	Very low	156 Å²	156	160.1 Å²	160.1	83%	0.834	78%	0.78	S	S	*	*	S	Bend	trans	-169.9	15.5	158.4	-115	-81.3	0	0	0	116
5	I	41.5	Very low	34.6	Very low	170 Å²	170	162.7 Å²	162.7	87%	0.872	79%	0.786	S	S	*	*	S	Bend	trans	-134.1	69.3	174.8	-50	179.3	0	0	0	109.2
6	R	31.3	Very low	34.9	Very low	102 Å²	102	159.7 Å²	159.7	39%	0.385	78%	0.783	S	S	.	*			trans	-140.7	162.9	159.4	-83.2	-171.4	157.6	152.7	-3.6	107.5	E436 E438	R6-E436 HydrophobicContact CB-CG 4.22Å; R6-E436 PolarHBondContact NH1-O 2.94Å; R6-E438 HydrophobicContact CG-CG 4.41Å; R6-E438 IonicContact CZ-OE2 2.86Å; R6-E438 IonicContact NE-OE1 3.12Å; R6-E438 IonicContact NE-OE2 2.92Å; R6-E438 PolarHBondContact NE-OE2 3.01Å; R6-E438 PolarHBondContact NH2-O 3.49Å; R6-E438 IonicContact NH2-OE2 3.37Å; R6-E438 PolarHBondContact NH2-OE2 3.04Å
7	R	33	Very low	35.1	Very low	187 Å²	187	158.7 Å²	158.7	71%	0.706	78%	0.782	S	S	*	*			trans	62	96.7	-176.6	-51.7	175.3	180	150.3	2.7	116	E436	R7-E436 WeakPolarHBondContact CD-OE1 3.45Å; R7-E436 IonicContact CZ-OE1 2.64Å; R7-E436 IonicContact NE-OE1 3.88Å; R7-E436 PolarHBondContact NE-OE1 3.09Å; R7-E436 VanDerWaalsContact NE-OE1 3.12Å; R7-E436 IonicContact NH1-OE1 2.76Å; R7-E436 PolarHBondContact NH1-OE1 2.96Å; R7-E436 IonicContact NH2-OE1 3.53Å; R7-E436 PolarHBondContact NH2-OE1 3.01Å
8	K	33.9	Very low	35	Very low	200 Å²	200	155.7 Å²	155.7	87%	0.87	78%	0.779	S	S	*	*				179	75.2	127.2	-100.1	173.3	-178.2	-179.6	0	112.9
9	F	30.1	Very low	35.4	Very low	215 Å²	215	152.9 Å²	152.9	94%	0.943	77%	0.774	S	S	*	*			trans	-148.2	87.1	162.2	-97.2	-71	0	0	0	111.7
10	T	35.4	Very low	35.3	Very low	143 Å²	143	152.6 Å²	152.6	88%	0.877	78%	0.78	S	S	*	*			trans	-145.9	132.1	164.6	48.4	0	0	0	0	109.6
11	H	34.7	Very low	35.3	Very low	192 Å²	192	149 Å²	149	89%	0.889	78%	0.78	S	S	*	*			trans	-95.3	-167.3	-179.5	-114.4	-4.1	0	0	0	110.2
12	P	39.3	Very low	35.2	Very low	93 Å²	93	149.2 Å²	149.2	60%	0.604	78%	0.779	S	S	*	*			cis	-143.8	-174.2	12.1	46.6	-28.6	0	0	0	117.6
13	R	29.9	Very low	35	Very low	197 Å²	197	145.9 Å²	145.9	74%	0.743	78%	0.778	S	S	*	*			trans	69	148.8	158.4	-68.2	165.8	-164.6	-168.4	6.2	117.1
14	S	34.3	Very low	35.1	Very low	119 Å²	119	150 Å²	150	83%	0.832	79%	0.793	S	S	*	*			cis	-154.8	160.6	-0.1	39.2	0	0	0	0	113
15	K	36.9	Very low	34.7	Very low	198 Å²	198	148.3 Å²	148.3	86%	0.861	79%	0.789	S	S	*	*			trans	-98.9	172	175.5	-66	-173.4	176.1	-178	0	113.2
16	P	38.7	Very low	34.4	Very low	115 Å²	115	149.8 Å²	149.8	75%	0.747	79%	0.789	S	S	*	*				-147.3	151.6	98.8	37.8	-21.5	0	0	0	118.4
17	N	38	Very low	34.3	Very low	143 Å²	143	152.8 Å²	152.8	77%	0.765	80%	0.804	S	S	*	*			trans	31.7	125.4	139.6	-56.7	-8.4	0	0	0	121.3
18	S	34.6	Very low	34.3	Very low	104 Å²	104	150.6 Å²	150.6	73%	0.727	80%	0.802	S	S	*	*				82.6	164.3	56.8	82.9	0	0	0	0	114.8
19	P	41.5	Very low	34.1	Very low	104 Å²	104	149.8 Å²	149.8	68%	0.675	80%	0.801	S	S	*	*			cis	-145.7	169	5.5	44	-24.3	0	0	0	119.9
20	T	33.9	Very low	34.2	Very low	145 Å²	145	142.3 Å²	142.3	89%	0.89	79%	0.785	S	S	*	*			trans	54.3	128.3	142.8	52.8	0	0	0	0	126.3
21	G	35.5	Very low	34.2	Very low	77 Å²	77	141.9 Å²	141.9	79%	0.794	78%	0.782	S	S	*	*			trans	171	154.4	149.1	0	0	0	0	0	110.7
22	Q	35.5	Very low	34.2	Very low	201 Å²	201	138.6 Å²	138.6	94%	0.939	78%	0.776	S	S	*	*			cis	-158.2	-168.8	-18.1	-133.9	-178.8	20.4	0	0	109.4
23	C	26.8	Very low	34.1	Very low	121 Å²	121	144.3 Å²	144.3	82%	0.818	79%	0.791	S	S	*	*			trans	-124.7	157.5	-174.9	-57.9	0	0	0	0	114.4
24	L	34.6	Very low	34.4	Very low	167 Å²	167	142.5 Å²	142.5	87%	0.874	79%	0.789	S	S	*	*			trans	-164.1	166	145.4	-110.7	170.6	0	0	0	112.3
25	T	28.7	Very low	34.5	Very low	122 Å²	122	145.1 Å²	145.1	75%	0.748	79%	0.794	S	S	*	*			trans	-141	150.5	-165	51.2	0	0	0	0	115.3
26	K	35.3	Very low	34.2	Very low	201 Å²	201	144.2 Å²	144.2	87%	0.874	79%	0.785	S	S	*	*			trans	174.3	129.6	157.6	-95	155.6	-176.3	-174.4	0	106.5
27	K	29.2	Very low	34	Very low	164 Å²	164	145.2 Å²	145.2	71%	0.713	79%	0.789	S	S	*	*			cis	96.9	139.2	24.6	-161.8	177.1	-179.4	-85.4	0	113.3
28	E	33.1	Very low	33.6	Very low	142 Å²	142	143.7 Å²	143.7	66%	0.664	78%	0.777	S	S	*	*			trans	72.2	145.8	-179.8	-73.7	133	-128.1	0	0	117
29	E	30	Very low	33.3	Very low	182 Å²	182	147.6 Å²	147.6	85%	0.85	78%	0.781	S	S	*	*			cis	-166	170.6	-31.7	-130	167.5	-131.8	0	0	111.2
30	G	33.6	Very low	32.8	Very low	59 Å²	59	149.2 Å²	149.2	61%	0.608	79%	0.789	S	S	*	*			trans	104.7	105.3	172.5	0	0	0	0	0	116.1
31	T	35.5	Very low	32.5	Very low	133 Å²	133	150.6 Å²	150.6	82%	0.816	78%	0.783	S	S	*	*				70.5	133.9	80.5	60.1	0	0	0	0	116.1
32	T	34.6	Very low	32.1	Very low	124 Å²	124	157.6 Å²	157.6	76%	0.761	79%	0.785	S	S	*	*			cis	-172.2	140	-14.8	22.7	0	0	0	0	110
33	K	35.2	Very low	31.9	Very low	212 Å²	212	156.2 Å²	156.2	92%	0.922	78%	0.778	S	S	*	*				-173.1	147.7	124.9	-104.6	173.3	-177.9	-177.4	0	111.2
34	K	36.5	Very low	32	Very low	160 Å²	160	155.1 Å²	155.1	70%	0.696	77%	0.772	S	S	*	*			trans	-119.5	165	176.6	-75	-177.7	174.6	-178.8	0	108.9
35	D	36.2	Very low	31.8	Very low	174 Å²	174	154.8 Å²	154.8	93%	0.93	77%	0.771	S	S	*	*				-132.6	128.5	123.2	-101.4	-44.2	0	0	0	110
36	R	31.5	Very low	31.7	Very low	178 Å²	178	152.6 Å²	152.6	67%	0.672	76%	0.761	S	S	*	*			trans	-172.6	126.8	177.6	-169.7	-156.6	-156.3	-156.4	12.6	110.8	E38	R36-E38 IonicContact CZ-OE1 2.69Å; R36-E38 IonicContact NE-OE1 3.71Å; R36-E38 IonicContact NH1-OE1 2.84Å; R36-E38 PolarHBondContact NH1-OE1 3.36Å
37	V	34.6	Very low	31.4	Very low	137 Å²	137	150.3 Å²	150.3	83%	0.83	76%	0.758	S	S	*	*			trans	-147	124.6	164.5	-177	0	0	0	0	106.4
38	E	29	Very low	31.3	Very low	110 Å²	110	150.8 Å²	150.8	51%	0.514	76%	0.763	S	S	.	*			cis	93.7	89.6	17.7	-147.6	158.5	-88.5	0	0	113.3	R36	R36-E38 IonicContact CZ-OE1 2.69Å; R36-E38 IonicContact NE-OE1 3.71Å; R36-E38 IonicContact NH1-OE1 2.84Å; R36-E38 PolarHBondContact NH1-OE1 3.36Å
39	F	27.8	Very low	31.6	Very low	187 Å²	187	149.3 Å²	149.3	82%	0.82	77%	0.766	S	S	*	*				66.8	108.1	82.4	-133.5	-53.9	0	0	0	115.3
40	V	32.3	Very low	31.4	Very low	138 Å²	138	148.2 Å²	148.2	84%	0.836	77%	0.765	S	S	*	*			trans	-142.3	153.9	167.6	-177.2	0	0	0	0	110.5
41	K	28	Very low	31	Very low	174 Å²	174	149.5 Å²	149.5	76%	0.757	76%	0.764	S	S	*	*			trans	-119.7	166.9	-178.3	-63.6	177.2	175.7	-179	0	112.2
42	R	26.1	Very low	30.6	Very low	224 Å²	224	149.7 Å²	149.7	85%	0.845	76%	0.76	S	S	*	*			trans	129.3	152.5	159	-75.1	159.8	-178.9	163.9	1.4	110.5
43	E	31.1	Very low	30.1	Very low	171 Å²	171	153.3 Å²	153.3	80%	0.799	76%	0.76	S	S	*	*			cis	-140.9	173.5	10.1	-146	132.8	-109.6	0	0	112
44	S	28.7	Very low	29.8	Very low	98 Å²	98	149.3 Å²	149.3	69%	0.685	75%	0.748	S	S	*	*			trans	-116	138.4	-173.8	55.5	0	0	0	0	112.9
45	N	31.3	Very low	29.3	Very low	160 Å²	160	146.5 Å²	146.5	86%	0.856	75%	0.745	S	S	*	*			trans	179.9	156.1	154.8	-91.9	-19.1	0	0	0	108.6
46	S	26.8	Very low	28.9	Very low	76 Å²	76	146 Å²	146	53%	0.531	74%	0.735	S	S	.	*			cis	172.5	130.6	-32.5	49.6	0	0	0	0	106.7
47	N	28.5	Very low	28.8	Very low	153 Å²	153	142.6 Å²	142.6	82%	0.818	73%	0.733	S	S	*	*			trans	66.5	154.8	168.2	-43.7	-14.2	0	0	0	115.1
48	E	27	Very low	28.5	Very low	175 Å²	175	143.4 Å²	143.4	82%	0.818	73%	0.728	S	S	*	*			cis	-150.6	159.2	-24.6	-116.8	-162.5	136.7	0	0	107.8
49	P	39.7	Very low	28.6	Very low	110 Å²	110	143 Å²	143	71%	0.714	74%	0.738	S	S	*	*			trans	-88.9	156.7	176.4	36.8	-32.9	0	0	0	111.9
50	L	26	Very low	28.8	Very low	160 Å²	160	140.3 Å²	140.3	84%	0.838	73%	0.732	S	S	*	*			trans	-166.9	127.2	146.8	-94.7	167.9	0	0	0	105
51	S	24.7	Very low	28.8	Very low	85 Å²	85	143.4 Å²	143.4	59%	0.594	73%	0.73	S	S	*	*				62.4	131.3	92.3	109.4	0	0	0	0	113
52	L	26.3	Very low	29	Very low	138 Å²	138	140.1 Å²	140.1	72%	0.723	73%	0.725	S	S	*	*			cis	-160.2	147.9	38.1	-108.2	156.7	0	0	0	112.6
53	R	25.6	Very low	29.4	Very low	200 Å²	200	139.7 Å²	139.7	76%	0.755	73%	0.729	S	S	*	*			trans	37.5	138.4	137.2	-90.2	-171.4	173.6	158.2	-4.8	122.8
54	N	27.2	Very low	29.4	Very low	127 Å²	127	136.1 Å²	136.1	68%	0.679	72%	0.719	S	S	*	*			trans	67.9	156.2	133.3	-64.4	16	0	0	0	117.3
55	T	27.4	Very low	29.5	Very low	101 Å²	101	138.5 Å²	138.5	62%	0.62	73%	0.729	S	S	*	*			cis	-162.9	-176.2	-1.8	11.4	0	0	0	0	107.6
56	F	28.3	Very low	29.4	Very low	165 Å²	165	136.1 Å²	136.1	72%	0.724	72%	0.721	S	S	*	*			cis	-157.1	136.9	6.6	-125	-54.2	0	0	0	108.7
57	T	28	Very low	29.5	Very low	105 Å²	105	140 Å²	140	64%	0.644	73%	0.734	S	S	*	*			trans	50.1	174.6	149.1	43.8	0	0	0	0	119.8
58	E	29.4	Very low	29.4	Very low	154 Å²	154	137.5 Å²	137.5	72%	0.72	73%	0.728	S	S	*	*			cis	-151.5	153.8	0.1	-141.9	134.7	-132.9	0	0	112.1
59	S	30.5	Very low	29.5	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	73%	0.727	S	S	*	*			trans	63.8	148.5	144.3	73.3	0	0	0	0	122
60	D	31.1	Very low	28.9	Very low	130 Å²	130	135 Å²	135	70%	0.695	73%	0.728	S	S	*	*			cis	-168.8	-178.3	-26.9	-113.4	-44.7	0	0	0	112.4
61	Y	33.6	Very low	29.2	Very low	203 Å²	203	135.8 Å²	135.8	80%	0.796	73%	0.727	S	S	*	*			trans	77.7	62	160.9	-69.7	-65	0	0	0	119.6
62	T	32.3	Very low	29.3	Very low	106 Å²	106	138.6 Å²	138.6	65%	0.65	74%	0.735	S	S	*	*				-13.8	152.9	127.7	54.4	0	0	0	0	118.8
63	K	33.7	Very low	29.3	Very low	214 Å²	214	140.7 Å²	140.7	93%	0.93	74%	0.741	S	S	*	*				-146.7	134.7	118.6	-119.5	172.4	-174.2	175.4	0	111.6
64	T	30.7	Very low	29.3	Very low	96 Å²	96	136.6 Å²	136.6	59%	0.589	74%	0.738	S	S	*	*			trans	-153.9	149.4	-160.7	-34.2	0	0	0	0	109.5
65	T	31.9	Very low	29.2	Very low	148 Å²	148	135.9 Å²	135.9	91%	0.908	74%	0.738	S	S	*	*			trans	-141.5	71.1	155.5	-43.9	0	0	0	0	111.6
66	T	28.7	Very low	29.2	Very low	110 Å²	110	137.8 Å²	137.8	68%	0.675	74%	0.744	S	S	*	*			trans	-96.1	162.3	140.1	39.4	0	0	0	0	108.2
67	I	29.6	Very low	29.1	Very low	157 Å²	157	137 Å²	137	81%	0.805	75%	0.748	S	S	*	*			trans	156.1	123.1	155.4	-85.3	153.8	0	0	0	106.2
68	S	26.8	Very low	29.1	Very low	101 Å²	101	135 Å²	135	71%	0.706	75%	0.748	S	S	*	*			cis	105.4	144.1	12.1	81.8	0	0	0	0	115.8
69	S	27.9	Very low	29.1	Very low	114 Å²	114	133.7 Å²	133.7	80%	0.797	75%	0.754	S	S	*	*			trans	89.1	135.6	164.6	-151.6	0	0	0	0	118.7
70	V	27.3	Very low	29.1	Very low	120 Å²	120	134.5 Å²	134.5	73%	0.727	75%	0.751	S	S	*	*			trans	-75.4	142.5	159.3	175.1	0	0	0	0	108.6
71	H	31.9	Very low	28.8	Very low	176 Å²	176	134.4 Å²	134.4	82%	0.815	76%	0.755	S	S	*	*			trans	-160.9	156.6	138.4	-116.7	-82.4	0	0	0	109.9
72	N	26.7	Very low	28.7	Very low	143 Å²	143	132.1 Å²	132.1	77%	0.765	75%	0.749	S	S	*	*			trans	-70.5	144.8	179.9	-57	-32.4	0	0	0	111.3
73	E	26.6	Very low	28.6	Very low	182 Å²	182	132.3 Å²	132.3	85%	0.85	75%	0.746	S	S	*	*				-174.1	147.9	106.4	-99.8	-171.6	164.6	0	0	114.5
74	V	26.5	Very low	28.5	Very low	115 Å²	115	130.8 Å²	130.8	70%	0.697	74%	0.74	S	S	*	*			trans	53.1	81.6	141.7	-172.9	0	0	0	0	119.2
75	T	25.3	Very low	28.5	Very low	111 Å²	111	131.9 Å²	131.9	68%	0.681	74%	0.742	S	S	*	*				63.7	123.7	127.7	58.5	0	0	0	0	124.2
76	L	25.8	Very low	28.4	Very low	141 Å²	141	131.7 Å²	131.7	74%	0.738	74%	0.735	S	S	*	*				82.5	119.4	125.6	-68.7	169.7	0	0	0	122
77	N	26.8	Very low	28.4	Very low	150 Å²	150	131 Å²	131	80%	0.802	74%	0.735	S	S	*	*			trans	73	135.6	143.1	-56.9	-16.4	0	0	0	119.5
78	G	29.1	Very low	28.5	Very low	63 Å²	63	130 Å²	130	65%	0.649	73%	0.731	S	S	*	*			cis	162.4	147	-9.5	0	0	0	0	0	114.8
79	C	27.5	Very low	28.5	Very low	125 Å²	125	129.3 Å²	129.3	85%	0.845	73%	0.726	S	S	*	*			trans	38.8	130	153.7	-56.8	0	0	0	0	121
80	D	30.9	Very low	28.5	Very low	120 Å²	120	130.4 Å²	130.4	64%	0.642	72%	0.719	S	S	*	*			trans	-146.8	72.2	139.1	-154.2	5.3	0	0	0	111.9	K82	D80-K82 WeakPolarHBondContact OD1-CD 3.38Å; D80-K82 WeakPolarHBondContact OD1-CE 3.46Å; D80-K82 IonicContact OD1-NZ 2.86Å; D80-K82 PolarHBondContact OD1-NZ 2.67Å; D80-K82 IonicContact OD2-NZ 4Å; D80-K82 PolarHBondContact OD2-NZ 2.73Å
81	T	25	Very low	28.6	Very low	128 Å²	128	132.5 Å²	132.5	79%	0.785	72%	0.718	S	S	*	*			trans	-101.7	117.9	166.7	49.5	0	0	0	0	109.4
82	K	32.6	Very low	28.4	Very low	155 Å²	155	134.7 Å²	134.7	67%	0.674	72%	0.721	S	S	*	*			trans	-116.7	148.4	-175.5	-81.8	164.9	174.6	138.7	0	110.7	D80	D80-K82 WeakPolarHBondContact OD1-CD 3.38Å; D80-K82 WeakPolarHBondContact OD1-CE 3.46Å; D80-K82 IonicContact OD1-NZ 2.86Å; D80-K82 PolarHBondContact OD1-NZ 2.67Å; D80-K82 IonicContact OD2-NZ 4Å; D80-K82 PolarHBondContact OD2-NZ 2.73Å
83	N	29.3	Very low	28.7	Very low	110 Å²	110	132.6 Å²	132.6	59%	0.588	72%	0.715	S	S	*	*			cis	-167.6	-177.2	-20.4	-126.8	20.4	0	0	0	108.4
84	F	31.2	Very low	28.6	Very low	181 Å²	181	128 Å²	128	79%	0.794	70%	0.703	S	S	*	*			trans	72.5	133.9	167.9	-55.3	-71.7	0	0	0	116.9
85	D	30.2	Very low	28.5	Very low	119 Å²	119	128.1 Å²	128.1	64%	0.636	70%	0.704	S	S	*	*			cis	160.8	127.1	-26.4	-95.4	-45.5	0	0	0	102.8
86	N	30.3	Very low	28.5	Very low	144 Å²	144	130 Å²	130	77%	0.77	71%	0.709	S	S	*	*			cis	84.7	161.6	42.8	-161.6	16.2	0	0	0	113.2
87	S	29.7	Very low	28.5	Very low	95 Å²	95	128.4 Å²	128.4	66%	0.664	70%	0.702	S	S	*	*			trans	74.5	143.5	-165.3	86.6	0	0	0	0	114.1
88	N	30.2	Very low	28.5	Very low	137 Å²	137	127.9 Å²	127.9	73%	0.733	69%	0.694	S	S	*	*			cis	-148.7	135.1	-3.3	-115.8	-33.5	0	0	0	107.6
89	S	27.9	Very low	28.4	Very low	86 Å²	86	131.9 Å²	131.9	60%	0.601	70%	0.695	S	S	*	*				62.2	151.4	89.8	91.4	0	0	0	0	114.9
90	Q	28.2	Very low	28.4	Very low	137 Å²	137	132.7 Å²	132.7	64%	0.64	69%	0.687	S	S	*	*			cis	-167.2	171.5	20.9	-147.1	174.7	47.2	0	0	111.3
91	K	29.8	Very low	28.1	Very low	164 Å²	164	132.8 Å²	132.8	71%	0.713	69%	0.686	S	S	*	*			trans	71	128.4	162	-65.5	147	174.3	145.5	0	116.4
92	Y	26.2	Very low	28	Very low	223 Å²	223	132.3 Å²	132.3	88%	0.875	68%	0.679	S	S	*	*			cis	63.4	148	44.7	-75	-66.1	0	0	0	115.1
93	P	33.4	Very low	27.7	Very low	99 Å²	99	132.4 Å²	132.4	64%	0.643	68%	0.682	S	S	*	*			cis	-135.2	-160.8	-11.1	31.8	-8	0	0	0	113.2
94	S	25.2	Very low	27.5	Very low	86 Å²	86	132.9 Å²	132.9	60%	0.601	69%	0.689	S	S	*	*			trans	64.5	110.8	136.2	69.7	0	0	0	0	119.5
95	T	24.6	Very low	27.4	Very low	117 Å²	117	128.7 Å²	128.7	72%	0.718	69%	0.688	S	S	*	*				104.4	156.8	79.2	51.1	0	0	0	0	110.7
96	L	24.4	Very low	27.4	Very low	149 Å²	149	127.3 Å²	127.3	78%	0.78	69%	0.688	S	S	*	*			trans	66.8	155.7	165.1	-91	78.6	0	0	0	115.2
97	N	25.2	Very low	27.5	Very low	109 Å²	109	127.7 Å²	127.7	58%	0.583	69%	0.685	S	S	*	*			cis	-160.7	162.3	-30	-141.9	-6.6	0	0	0	110.4
98	H	27.1	Very low	27.5	Very low	138 Å²	138	128.4 Å²	128.4	64%	0.639	69%	0.685	S	S	*	*			trans	58.7	168	153	-65.6	-50.5	0	0	0	120.5
99	H	27.5	Very low	27.7	Very low	147 Å²	147	129 Å²	129	68%	0.681	69%	0.685	S	S	*	*			trans	66.2	133.8	157.7	-56.1	-53	0	0	0	117.9
100	H	26.7	Very low	27.9	Very low	143 Å²	143	130.8 Å²	130.8	66%	0.662	69%	0.688	S	S	*	*			cis	-164.7	163	-13.9	-122.9	-19.6	0	0	0	109.7
101	L	25.4	Very low	27.9	Very low	121 Å²	121	128.9 Å²	128.9	63%	0.634	69%	0.69	S	S	*	*			trans	53.7	117.3	142.6	-64.3	167.4	0	0	0	118.1
102	N	23.9	Very low	28	Very low	119 Å²	119	125.5 Å²	125.5	64%	0.636	69%	0.687	S	S	*	*				68.4	135	78.1	-93.9	31.3	0	0	0	113.9
103	E	25.4	Very low	28	Very low	156 Å²	156	122 Å²	122	73%	0.729	68%	0.683	S	S	*	*			trans	66.1	155.4	143.1	-63.1	169.6	118.3	0	0	116.7
104	T	25.5	Very low	28	Very low	121 Å²	121	124.8 Å²	124.8	74%	0.742	69%	0.687	S	S	*	*			cis	-158	-166.2	-18	25.1	0	0	0	0	105.8
105	A	29.2	Very low	28.2	Very low	92 Å²	92	126.6 Å²	126.6	76%	0.76	69%	0.69	S	S	*	*			trans	70.4	148.6	169.6	0	0	0	0	0	114.7
106	S	29.5	Very low	28.5	Very low	91 Å²	91	127.5 Å²	127.5	64%	0.636	69%	0.69	S	S	*	*			cis	-171.4	162.4	-15.1	-102.4	0	0	0	0	105.8
107	E	32.9	Very low	28.6	Very low	152 Å²	152	125.7 Å²	125.7	71%	0.71	69%	0.686	S	S	*	*			cis	-159.8	153.2	4.9	-132.3	144.1	-115.4	0	0	108.7
108	T	30.5	Very low	28.9	Very low	110 Å²	110	127.1 Å²	127.1	68%	0.675	69%	0.693	S	S	*	*			trans	40.8	148	143.9	53.8	0	0	0	0	122.7
109	M	32.6	Very low	28.9	Very low	148 Å²	148	127.8 Å²	127.8	73%	0.729	70%	0.701	S	S	*	*			cis	-160.9	155.5	15.5	-128.9	169	-160.5	0	0	111.7
110	N	32	Very low	29.1	Very low	125 Å²	125	126.6 Å²	126.6	67%	0.668	71%	0.71	S	S	*	*			trans	54.7	116	148.6	-60.8	-10	0	0	0	118.9
111	S	29.9	Very low	29	Very low	97 Å²	97	128.6 Å²	128.6	68%	0.678	72%	0.719	S	S	*	*				67.7	147.9	69.9	88.2	0	0	0	0	113.2
112	S	30.9	Very low	29.2	Very low	92 Å²	92	128.7 Å²	128.7	64%	0.643	73%	0.728	S	S	*	*			cis	-154.3	138	26.1	-33.9	0	0	0	0	110.3
113	L	26.8	Very low	29.3	Very low	151 Å²	151	130.8 Å²	130.8	79%	0.791	73%	0.734	S	S	*	*				84.6	140.9	98.4	-78.5	178.3	0	0	0	117.7
114	H	33.5	Very low	29.5	Very low	157 Å²	157	128.8 Å²	128.8	73%	0.727	73%	0.729	S	S	*	*			trans	72.4	157.5	161.9	-73.8	41.7	0	0	0	118.7
115	N	28.6	Very low	29.8	Very low	124 Å²	124	129.3 Å²	129.3	66%	0.663	73%	0.727	S	S	*	*			cis	172.6	160.8	-42.8	-105.4	-11.1	0	0	0	107.9
116	N	30.7	Very low	30	Very low	135 Å²	135	134.1 Å²	134.1	72%	0.722	73%	0.731	S	S	*	*			trans	66.1	112.6	161.6	-62.9	-10.4	0	0	0	116.7
117	T	27.8	Very low	30.3	Very low	112 Å²	112	134.7 Å²	134.7	69%	0.687	73%	0.731	S	S	*	*				92.3	153.3	55.2	60.3	0	0	0	0	114.8
118	N	31.4	Very low	30.4	Very low	139 Å²	139	134.6 Å²	134.6	74%	0.743	74%	0.735	S	S	*	*			trans	88.3	110.1	166.9	-54.3	-28.2	0	0	0	119.5
119	N	26.3	Very low	30.6	Very low	151 Å²	151	135.7 Å²	135.7	81%	0.807	74%	0.737	S	S	*	*				24.5	129.5	126.4	-56	-10.4	0	0	0	119.9
120	S	31	Very low	30.7	Very low	123 Å²	123	134.3 Å²	134.3	86%	0.86	74%	0.737	S	S	*	*				-177.2	169.6	104.6	41.2	0	0	0	0	112.6
121	Q	25.7	Very low	30.7	Very low	185 Å²	185	132.5 Å²	132.5	86%	0.864	73%	0.733	S	S	*	*			trans	-96.7	145.9	179.2	-59.2	146.4	-91.5	0	0	111.5
122	C	28.4	Very low	30.8	Very low	122 Å²	122	136 Å²	136	82%	0.824	74%	0.736	S	S	*	*			trans	-172.1	119.3	140.1	-93.6	0	0	0	0	107.2
123	Q	27.1	Very low	30.9	Very low	163 Å²	163	137.1 Å²	137.1	76%	0.762	74%	0.739	S	S	*	*				68.1	118.6	68	-86.4	-155.4	1.8	0	0	116.7
124	N	29.5	Very low	31.2	Very low	115 Å²	115	135.4 Å²	135.4	62%	0.615	74%	0.735	S	S	*	*			trans	92.8	119.2	136.5	-60.3	-5.2	0	0	0	122.7
125	N	30.9	Very low	31.2	Very low	132 Å²	132	134.2 Å²	134.2	71%	0.706	74%	0.739	S	S	*	*			trans	83.3	110.9	131.5	-60.2	-0.8	0	0	0	122.9
126	K	34.9	Very low	31.4	Very low	192 Å²	192	132.6 Å²	132.6	84%	0.835	74%	0.737	S	S	*	*				-175.9	129.2	115.8	-91.7	153.9	-176.1	-178.8	0	107.4
127	T	33.9	Very low	31.3	Very low	103 Å²	103	133.3 Å²	133.3	63%	0.632	74%	0.741	S	S	*	*			cis	69.2	134.9	42.9	87.7	0	0	0	0	111.8
128	D	36	Very low	31.4	Very low	151 Å²	151	137.4 Å²	137.4	81%	0.807	75%	0.749	S	S	*	*			cis	-151.7	161.8	11	-61	-91.8	0	0	0	109
129	D	35.4	Very low	31.3	Very low	132 Å²	132	135.5 Å²	135.5	71%	0.706	75%	0.747	S	S	*	*			cis	-133.3	-115.3	-10.9	-174.9	20.6	0	0	0	109
130	T	34.2	Very low	31.3	Very low	119 Å²	119	135.6 Å²	135.6	73%	0.73	75%	0.747	S	S	*	*			cis	-150.9	148.2	-5.8	-27.2	0	0	0	0	114.1
131	C	30.9	Very low	31.2	Very low	87 Å²	87	140 Å²	140	59%	0.588	75%	0.751	S	S	*	*			trans	-15.5	153.7	164	-73	0	0	0	0	122.4
132	K	32.9	Very low	31.3	Very low	170 Å²	170	139 Å²	139	74%	0.739	75%	0.746	S	S	*	*			cis	-174.6	149.1	-13.8	-117.6	175	-168.5	163.9	0	112
133	T	33	Very low	31.3	Very low	117 Å²	117	140.6 Å²	140.6	72%	0.718	74%	0.739	S	S	*	*			trans	59.2	143.8	149.9	50.8	0	0	0	0	120.8
134	T	32.7	Very low	31.3	Very low	115 Å²	115	139.4 Å²	139.4	71%	0.706	74%	0.738	S	S	*	*			cis	-162.5	147.9	1.2	9.9	0	0	0	0	112
135	V	33.5	Very low	31.4	Very low	132 Å²	132	139.7 Å²	139.7	80%	0.8	75%	0.749	S	S	*	*			trans	64.4	128.8	141.3	172.6	0	0	0	0	118.1
136	S	32.4	Very low	31.2	Very low	89 Å²	89	141.2 Å²	141.2	62%	0.622	76%	0.755	S	S	*	*			cis	-160.5	140.5	2.4	49	0	0	0	0	116.3
137	N	29.7	Very low	30.9	Very low	151 Å²	151	138.4 Å²	138.4	81%	0.807	75%	0.754	S	S	*	*			trans	72	133.8	135.1	-68.3	-14.1	0	0	0	123.6
138	K	30.6	Very low	30.5	Very low	198 Å²	198	143.9 Å²	143.9	86%	0.861	77%	0.765	S	S	*	*			trans	69.8	130.9	161.2	-66.8	-178.6	179.7	-178.8	0	118.3
139	S	28.9	Very low	30.2	Very low	99 Å²	99	142.3 Å²	142.3	69%	0.692	77%	0.765	S	S	*	*			cis	175.4	128.2	-40.3	41.1	0	0	0	0	107.8
140	N	26.5	Very low	29.8	Very low	153 Å²	153	141.2 Å²	141.2	82%	0.818	77%	0.768	S	S	*	*			trans	14	125.5	157.6	-54.1	-10.4	0	0	0	119.2
141	F	28.7	Very low	29.5	Very low	215 Å²	215	145 Å²	145	94%	0.943	78%	0.777	S	S	*	*				-143.7	144.2	122.4	-114.4	-76	0	0	0	111.1
142	H	27.8	Very low	29.3	Very low	164 Å²	164	148.3 Å²	148.3	76%	0.759	79%	0.789	S	S	*	*			trans	-153	144.4	-176.4	-163.7	21.4	0	0	0	107.7
143	K	29.1	Very low	29.1	Very low	156 Å²	156	148 Å²	148	68%	0.678	80%	0.795	S	S	*	*			trans	76.8	115.2	172.2	-62	-170.4	177.2	-175.5	0	119.3
144	D	27.1	Very low	28.9	Very low	137 Å²	137	148.8 Å²	148.8	73%	0.733	79%	0.794	S	S	*	*				67	163.3	120.6	-46.4	-24.6	0	0	0	121.4
145	S	30.5	Very low	28.8	Very low	121 Å²	121	151.1 Å²	151.1	85%	0.846	80%	0.801	S	S	*	*			trans	93.1	100	163.9	-41.6	0	0	0	0	118.3
146	I	26.7	Very low	28.6	Very low	164 Å²	164	150.5 Å²	150.5	84%	0.841	79%	0.794	S	S	*	*			trans	-45.7	142.4	149.4	-55.8	155.8	0	0	0	110.9
147	V	29.3	Very low	28.7	Very low	133 Å²	133	153 Å²	153	81%	0.806	80%	0.8	S	S	*	*				176.7	140.9	129.3	147.2	0	0	0	0	111.7
148	Y	25.4	Very low	28.8	Very low	219 Å²	219	151.4 Å²	151.4	86%	0.859	79%	0.792	S	S	*	*			trans	-68	136.9	167.9	-104	-108.3	0	0	0	111.3
149	S	28.5	Very low	28.8	Very low	117 Å²	117	148.8 Å²	148.8	82%	0.818	79%	0.787	S	S	*	*				-177.2	146.8	120.7	-82.4	0	0	0	0	112.6
150	S	27.1	Very low	29	Very low	109 Å²	109	150 Å²	150	76%	0.762	79%	0.791	S	S	*	*			trans	-85.7	129.2	167.6	52.9	0	0	0	0	111.1
151	Q	28.7	Very low	29.3	Very low	198 Å²	198	147.3 Å²	147.3	93%	0.925	78%	0.783	S	S	*	*			trans	-159.8	150.1	141.2	-115.5	155.7	-2.1	0	0	111.4
152	L	26.9	Very low	29.6	Very low	158 Å²	158	142.4 Å²	142.4	83%	0.827	78%	0.776	S	S	*	*			trans	-71.9	152.2	164	-64	126.3	0	0	0	108.2
153	D	28.9	Very low	30.1	Very low	164 Å²	164	141 Å²	141	88%	0.877	78%	0.782	S	S	*	*				-154.1	157.8	122.3	-122.1	-33.4	0	0	0	113.2
154	I	27.3	Very low	30.4	Very low	133 Å²	133	136.5 Å²	136.5	68%	0.682	78%	0.779	S	S	*	*			trans	-91.8	144.2	-178	-65.5	164.3	0	0	0	109.2
155	N	31.9	Very low	30.8	Very low	163 Å²	163	135.3 Å²	135.3	87%	0.872	78%	0.782	S	S	*	*			trans	-143	122.8	155.8	-123.6	-35.5	0	0	0	112.3
156	N	29.7	Very low	31	Very low	120 Å²	120	137.7 Å²	137.7	64%	0.642	78%	0.78	S	S	*	*			trans	-78.7	152.7	174.8	-77.8	-39.8	0	0	0	110.5
157	N	34	Very low	31.2	Very low	140 Å²	140	133.9 Å²	133.9	75%	0.749	77%	0.767	S	S	*	*				-167.9	112.7	117.2	-97.6	-40	0	0	0	112.6
158	N	30.5	Very low	31.3	Very low	119 Å²	119	136.3 Å²	136.3	64%	0.636	77%	0.767	S	S	*	*			trans	38.4	112.9	130	-50.7	-15.8	0	0	0	118.6
159	N	32	Very low	31.5	Very low	142 Å²	142	133 Å²	133	76%	0.759	76%	0.764	S	S	*	*				-178.1	144.5	91.7	-92	-38.3	0	0	0	113.6
160	T	31.7	Very low	31.6	Very low	126 Å²	126	130.8 Å²	130.8	77%	0.773	76%	0.759	S	S	*	*			trans	51.6	138.8	147.8	56.7	0	0	0	0	121.4
161	S	33.9	Very low	31.9	Very low	95 Å²	95	131.2 Å²	131.2	66%	0.664	76%	0.762	S	S	*	*			cis	-173.6	122.3	-9.7	46.9	0	0	0	0	113
162	S	33.5	Very low	31.8	Very low	113 Å²	113	131.1 Å²	131.1	79%	0.79	76%	0.759	S	S	*	*			trans	70	173.2	136.1	-37.8	0	0	0	0	118.2
163	P	39.6	Very low	32.1	Very low	135 Å²	135	131.2 Å²	131.2	88%	0.877	76%	0.761	S	S	*	*				-144.1	-172.8	-106	38.2	-13.8	0	0	0	117.2
164	G	34.8	Very low	32.1	Very low	61 Å²	61	126.6 Å²	126.6	63%	0.629	75%	0.752	S	S	*	*			trans	178.1	114.6	160.5	0	0	0	0	0	109.7
165	S	36	Very low	32.1	Very low	112 Å²	112	127 Å²	127	78%	0.783	77%	0.765	S	S	*	*				87.8	129.9	70.3	63.6	0	0	0	0	112.2
166	E	34.4	Very low	32	Very low	171 Å²	171	122.5 Å²	122.5	80%	0.799	76%	0.757	S	S	*	*			cis	-153.7	146.2	-4.5	-97.7	160	-174	0	0	106.4
167	S	31.1	Very low	32	Very low	84 Å²	84	123 Å²	123	59%	0.587	77%	0.77	S	S	*	*			cis	88.9	133	48.5	107.3	0	0	0	0	114.8
168	F	32	Very low	31.8	Very low	183 Å²	183	120.4 Å²	120.4	80%	0.803	78%	0.776	S	S	*	*			trans	165.9	111.9	147.4	-103.5	-80.5	0	0	0	106.5
169	L	29.1	Very low	31.6	Very low	149 Å²	149	118.5 Å²	118.5	78%	0.78	79%	0.785	S	S	*	*				67.6	134.6	55.5	-59.4	166.5	0	0	0	112.6
170	G	30.9	Very low	31.5	Very low	71 Å²	71	115.5 Å²	115.5	73%	0.732	79%	0.788	S	S	*	*			cis	-152.9	-168.7	-7.1	0	0	0	0	0	108.4
171	S	32.2	Very low	31.3	Very low	118 Å²	118	117.6 Å²	117.6	83%	0.825	79%	0.794	S	S	*	*			cis	-150.2	161.2	0.8	-74.6	0	0	0	0	107.2
172	F	28.2	Very low	31	Very low	196 Å²	196	116.6 Å²	116.6	86%	0.86	80%	0.798	S	S	*	*				65.2	143.6	65.5	-101	-81.8	0	0	0	117.3
173	D	32.4	Very low	30.8	Very low	161 Å²	161	114.7 Å²	114.7	86%	0.861	80%	0.796	S	S	*	*			trans	81.7	146.8	-176.5	-56.2	-20.5	0	0	0	117.9
174	G	28.1	Very low	30.2	Very low	66 Å²	66	120.6 Å²	120.6	68%	0.68	80%	0.801	S	S	*	*			cis	157.9	135.5	-11.5	0	0	0	0	0	115.5
175	C	28.4	Very low	29.9	Very low	142 Å²	142	121.3 Å²	121.3	96%	0.959	81%	0.809	S	S	*	*			trans	71.7	153.1	161.7	-61.9	0	0	0	0	121.6
176	G	30.5	Very low	29.5	Very low	69 Å²	69	119.9 Å²	119.9	71%	0.711	81%	0.812	S	S	*	*			trans	87.6	108.5	167.8	0	0	0	0	0	115.3
177	S	28.4	Very low	29.2	Very low	130 Å²	130	116.9 Å²	116.9	91%	0.909	81%	0.81	S	S	*	*			cis	79.9	112.7	22.3	-55	0	0	0	0	116.8
178	G	29.6	Very low	29	Very low	86 Å²	86	117.9 Å²	117.9	89%	0.887	82%	0.817	S	S	*	*			trans	104.6	139.9	171.7	0	0	0	0	0	114.4
179	G	27.7	Very low	29	Very low	79 Å²	79	114.9 Å²	114.9	81%	0.814	81%	0.813	S	S	*	*			cis	160.5	122.6	-11.1	0	0	0	0	0	114
180	G	28.7	Very low	28.9	Very low	79 Å²	79	111.3 Å²	111.3	81%	0.814	80%	0.801	S	S	*	*			trans	73.9	174.1	170	0	0	0	0	0	116.6
181	D	27.5	Very low	28.9	Very low	170 Å²	170	117.3 Å²	117.3	91%	0.909	80%	0.803	S	S	*	*			cis	-161.3	152.1	-26.8	-160.6	-0.8	0	0	0	110.1
182	G	28.5	Very low	28.8	Very low	73 Å²	73	119 Å²	119	75%	0.753	80%	0.802	S	S	*	*			trans	70.9	156.5	171.7	0	0	0	0	0	117.9
183	G	28.5	Very low	29.2	Very low	73 Å²	73	114.6 Å²	114.6	75%	0.753	80%	0.795	S	S	*	*			cis	160.5	148.2	-14.6	0	0	0	0	0	115.7
184	R	27.5	Very low	29.4	Very low	260 Å²	260	112.9 Å²	112.9	98%	0.981	79%	0.793	S	S	*	*			trans	68.2	152.3	160	-65.5	178.9	163.8	-167.7	-5	119.8
185	G	27.5	Very low	29.6	Very low	76 Å²	76	113.9 Å²	113.9	78%	0.784	80%	0.795	S	S	*	*			trans	89.9	120.9	178.6	0	0	0	0	0	112.3
186	G	27.8	Very low	29.9	Very low	82 Å²	82	112.7 Å²	112.7	85%	0.845	79%	0.788	S	S	*	*			cis	86.4	139.3	11.9	0	0	0	0	0	111.7
187	S	28.1	Very low	30.1	Very low	108 Å²	108	114 Å²	114	76%	0.755	79%	0.786	S	S	*	*			cis	-165.4	161.7	-0.8	178.3	0	0	0	0	109.2
188	S	28.2	Very low	30.3	Very low	105 Å²	105	113.7 Å²	113.7	73%	0.734	78%	0.784	S	S	*	*			trans	70.8	164.2	163.5	-32.5	0	0	0	0	114.8
189	T	30.8	Very low	30.6	Very low	119 Å²	119	113.6 Å²	113.6	73%	0.73	78%	0.775	S	S	*	*			cis	-132.3	157.6	1.4	38.3	0	0	0	0	112.7
190	S	28.1	Very low	30.9	Very low	74 Å²	74	118.5 Å²	118.5	52%	0.517	77%	0.774	S	S	.	*			trans	-25.7	160.1	142.8	49.8	0	0	0	0	116.3
191	Y	29.8	Very low	31.1	Very low	197 Å²	197	120.6 Å²	120.6	77%	0.773	77%	0.767	S	S	*	*				-159.2	149.8	54.8	-80.6	-85.2	0	0	0	117.2
192	L	30	Very low	31.3	Very low	154 Å²	154	117.5 Å²	117.5	81%	0.806	76%	0.758	S	S	*	*			trans	61.5	111	140.3	-70.5	163.7	0	0	0	122
193	S	36.7	Very low	31.4	Very low	104 Å²	104	121.9 Å²	121.9	73%	0.727	76%	0.757	S	S	*	*			trans	-63.1	170.1	139.6	-38.2	0	0	0	0	111.3
194	P	36	Very low	31.4	Very low	124 Å²	124	125.2 Å²	125.2	81%	0.805	76%	0.763	S	S	*	*				-152.3	136.8	90.8	37.1	-18.2	0	0	0	118.3
195	A	32.7	Very low	31.4	Very low	88 Å²	88	119.6 Å²	119.6	73%	0.727	75%	0.748	S	S	*	*				62.1	158.5	126.2	0	0	0	0	0	124.4
196	S	35.1	Very low	31.5	Very low	116 Å²	116	125.3 Å²	125.3	81%	0.811	75%	0.754	S	S	*	*			trans	76.1	140.7	163.3	74.9	0	0	0	0	119
197	S	34.3	Very low	31.5	Very low	97 Å²	97	128.7 Å²	128.7	68%	0.678	75%	0.752	S	S	*	*			cis	-173	138.2	-21.1	47.2	0	0	0	0	111.5
198	S	32.7	Very low	31.5	Very low	124 Å²	124	131 Å²	131	87%	0.867	76%	0.756	S	S	*	*			trans	58.8	155.3	165.2	62.3	0	0	0	0	117.1
199	A	36.9	Very low	31.4	Very low	84 Å²	84	134.7 Å²	134.7	69%	0.694	76%	0.761	S	S	*	*			cis	-133.1	152.6	-0.2	0	0	0	0	0	107.3
200	K	33.5	Very low	31.3	Very low	181 Å²	181	137.8 Å²	137.8	79%	0.787	77%	0.767	S	S	*	*				58	124.5	62	-79.4	-157.6	165.1	-155.3	0	112.9
201	D	33.2	Very low	31.2	Very low	124 Å²	124	140.9 Å²	140.9	66%	0.663	77%	0.773	S	S	*	*			cis	-143.8	162.7	11.4	-80.6	-54.5	0	0	0	114.5
202	S	31.3	Very low	31	Very low	105 Å²	105	138.1 Å²	138.1	73%	0.734	77%	0.765	S	S	*	*			trans	34	116.7	154.2	57.7	0	0	0	0	119.2
203	K	29.8	Very low	30.8	Very low	165 Å²	165	140 Å²	140	72%	0.717	76%	0.763	S	S	*	*			cis	51.5	116.2	39.7	-78.9	-154.2	-176.7	-164.4	0	116.4	E205	K203-E205 WeakPolarHBondContact CE-OE2 3.41Å; K203-E205 IonicContact NZ-OE2 3.35Å; K203-E205 PolarHBondContact NZ-OE2 3.32Å
204	T	29.2	Very low	30.5	Very low	143 Å²	143	144.9 Å²	144.9	88%	0.877	77%	0.772	S	S	*	*			trans	-126.7	94.2	132.7	47.6	0	0	0	0	107.5
205	E	27.1	Very low	30.1	Very low	142 Å²	142	144.6 Å²	144.6	66%	0.664	76%	0.764	S	S	*	*			trans	-105.4	120.1	158.8	-73.5	172.9	151.5	0	0	105.3	K203	K203-E205 WeakPolarHBondContact CE-OE2 3.41Å; K203-E205 IonicContact NZ-OE2 3.35Å; K203-E205 PolarHBondContact NZ-OE2 3.32Å
206	E	30	Very low	30.1	Very low	196 Å²	196	146.5 Å²	146.5	92%	0.916	76%	0.762	S	S	*	*			trans	-135.8	80.9	169.9	-73.8	-170	157.6	0	0	108.3
207	D	27.4	Very low	30	Very low	152 Å²	152	147.7 Å²	147.7	81%	0.813	76%	0.759	S	S	*	*			trans	-118.8	129.9	163.3	-114.9	-35.5	0	0	0	106.8
208	L	28.1	Very low	29.8	Very low	158 Å²	158	147.2 Å²	147.2	83%	0.827	76%	0.755	S	S	*	*	S	Bend	trans	76.8	142.9	176.2	-49.8	173.9	0	0	0	118.4
209	E	26.9	Very low	29.8	Very low	181 Å²	181	147.9 Å²	147.9	85%	0.846	75%	0.749	S	S	*	*			trans	68.4	145.7	170.3	-67.3	169.5	-175.7	0	0	116.1
210	E	28.8	Very low	29.4	Very low	184 Å²	184	150.4 Å²	150.4	86%	0.86	75%	0.75	S	S	*	*			cis	-146.6	177.9	7.8	-141.9	-179.1	176.2	0	0	113.3
211	E	25.3	Very low	29.4	Very low	139 Å²	139	148.1 Å²	148.1	65%	0.65	75%	0.746	S	S	*	*			trans	-76.6	157.7	174.2	-66.7	-173	99.8	0	0	113.7
212	K	26	Very low	29.1	Very low	139 Å²	139	149.1 Å²	149.1	60%	0.604	75%	0.752	S	S	*	*			trans	54.6	116	155.5	-58.1	142.9	-172	157.8	0	115.6
213	Y	26.1	Very low	28.9	Very low	193 Å²	193	148.4 Å²	148.4	76%	0.757	75%	0.745	S	S	*	*				-177.7	151.6	73.5	-98.6	-78.4	0	0	0	109.8
214	F	30.5	Very low	28.7	Very low	208 Å²	208	147.2 Å²	147.2	91%	0.912	75%	0.747	S	S	*	*			trans	-132.2	110.7	134.2	-121.3	-81	0	0	0	109
215	N	27.9	Very low	28.6	Very low	118 Å²	118	146.1 Å²	146.1	63%	0.631	74%	0.736	S	S	*	*			trans	-85.9	153	174.7	-162.4	6.4	0	0	0	108.8
216	N	31.6	Very low	28.5	Very low	128 Å²	128	147.9 Å²	147.9	68%	0.684	74%	0.741	S	S	*	*			trans	177.9	137.1	135.2	-93.4	-18.8	0	0	0	113.3
217	N	33.4	Very low	28.3	Very low	140 Å²	140	142.9 Å²	142.9	75%	0.749	73%	0.728	S	S	*	*			trans	66.2	131.6	155.4	-58	-2.4	0	0	0	118.6
218	S	30.9	Very low	28.1	Very low	87 Å²	87	142 Å²	142	61%	0.608	72%	0.722	S	S	*	*			cis	171.6	162.1	-23.9	39.3	0	0	0	0	107.2
219	N	32.5	Very low	28	Very low	139 Å²	139	141.7 Å²	141.7	74%	0.743	72%	0.718	S	S	*	*			trans	74.8	144	164.8	-58.5	-6	0	0	0	117.3
220	I	27.8	Very low	28	Very low	137 Å²	137	140.6 Å²	140.6	70%	0.703	71%	0.71	S	S	*	*			cis	-160.5	164.1	-32.5	-131.5	162.8	0	0	0	109.4
221	D	33.2	Very low	27.9	Very low	133 Å²	133	137.4 Å²	137.4	71%	0.711	70%	0.699	S	S	*	*			trans	52.3	93.4	164.6	-65.4	-19.6	0	0	0	123
222	N	28.3	Very low	28.1	Very low	145 Å²	145	137.8 Å²	137.8	78%	0.775	70%	0.701	S	S	*	*				66.1	154.2	99	-150.1	9.1	0	0	0	122.3
223	C	25.8	Very low	28.2	Very low	89 Å²	89	138 Å²	138	60%	0.601	71%	0.708	S	S	*	*			trans	68.1	85.6	158.7	-81.6	0	0	0	0	121.5
224	N	26.3	Very low	28.2	Very low	141 Å²	141	133.1 Å²	133.1	75%	0.754	70%	0.703	S	S	*	*				75.1	149.3	115	-85.3	-41.3	0	0	0	123
225	N	26.3	Very low	28.1	Very low	120 Å²	120	127.6 Å²	127.6	64%	0.642	69%	0.689	S	S	*	*			trans	73.3	106.8	156.2	-76.5	-54.5	0	0	0	120.2
226	K	25.9	Very low	28.1	Very low	178 Å²	178	127.9 Å²	127.9	77%	0.774	69%	0.69	S	S	*	*				76.6	120.8	123.5	-71.8	176.8	-178	175.7	0	119.7
227	S	24.7	Very low	27.9	Very low	92 Å²	92	130 Å²	130	64%	0.643	70%	0.696	S	S	*	*				102.1	119	120.4	-77.4	0	0	0	0	120.5
228	I	24.6	Very low	27.7	Very low	133 Å²	133	132 Å²	132	68%	0.682	70%	0.701	S	S	*	*				79.6	118.2	124.9	-65.2	172.5	0	0	0	117.6
229	M	25.8	Very low	27.5	Very low	152 Å²	152	135.5 Å²	135.5	75%	0.749	71%	0.707	S	S	*	*			trans	68	156.4	157.5	-70.4	-171.2	-149.5	0	0	117.8
230	K	25.6	Very low	27.2	Very low	158 Å²	158	134.1 Å²	134.1	69%	0.687	70%	0.699	S	S	*	*			cis	-170.7	151.8	-30.6	-114	176.2	-169.7	169.6	0	107.1
231	N	26.5	Very low	27.1	Very low	117 Å²	117	131 Å²	131	63%	0.626	69%	0.69	S	S	*	*			trans	70.8	145	144.4	-75.6	27.2	0	0	0	122.9
232	H	30.8	Very low	26.9	Very low	147 Å²	147	129.7 Å²	129.7	68%	0.681	69%	0.691	S	S	*	*			trans	77.3	104.5	151.7	-60.9	-42.3	0	0	0	120.3
233	N	27.1	Very low	27	Very low	142 Å²	142	128.5 Å²	128.5	76%	0.759	69%	0.694	S	S	*	*				32	134.5	111.3	-45.6	-7.4	0	0	0	116.4
234	S	27.1	Very low	27.5	Very low	92 Å²	92	129.9 Å²	129.9	64%	0.643	70%	0.702	S	S	*	*				-177	161.9	52.3	55.1	0	0	0	0	114.1
235	C	28	Very low	27.7	Very low	91 Å²	91	132.7 Å²	132.7	62%	0.615	71%	0.707	S	S	*	*			trans	67.9	154.4	156.2	-60.7	0	0	0	0	117.3
236	D	27.1	Very low	27.9	Very low	125 Å²	125	134.7 Å²	134.7	67%	0.668	72%	0.716	S	S	*	*			cis	-159.8	162.6	-31.7	-103.6	-32.6	0	0	0	109
237	H	27.9	Very low	28.1	Very low	171 Å²	171	133.5 Å²	133.5	79%	0.792	72%	0.717	S	S	*	*			trans	45.1	113.7	166.5	-68.1	-73	0	0	0	120.2
238	Q	29.9	Very low	28.3	Very low	183 Å²	183	134.5 Å²	134.5	86%	0.855	72%	0.72	S	S	*	*				-173.1	131.8	106.4	-100.8	170.6	20.1	0	0	113.8
239	Q	25.6	Very low	28.6	Very low	160 Å²	160	134.1 Å²	134.1	75%	0.748	72%	0.724	S	S	*	*			trans	40.9	156.7	144.1	-79.3	-170.3	-18.9	0	0	125.4
240	L	28	Very low	28.7	Very low	110 Å²	110	135.2 Å²	135.2	58%	0.576	73%	0.727	S	S	*	*			trans	86.4	131.2	155.5	-77.9	157.9	0	0	0	119.5	F442	L240-F442 HydrophobicContact CD2-CE2 3.99Å
241	S	24.5	Very low	28.9	Very low	72 Å²	72	135.8 Å²	135.8	50%	0.503	74%	0.737	S	S	.	*			trans	-109.8	-168.6	179.3	74.9	0	0	0	0	111.9	E440	S241-E440 VanDerWaalsContact CB-OE2 3.23Å; S241-E440 WeakPolarHBondContact CB-OE2 3.39Å; S241-E440 PolarHBondContact OG-OE2 2.91Å
242	S	28.6	Very low	29.1	Very low	105 Å²	105	138.2 Å²	138.2	73%	0.734	75%	0.748	S	S	*	*			trans	80.2	123.7	163	82.7	0	0	0	0	118.7
243	S	30.7	Very low	29	Very low	120 Å²	120	139 Å²	139	84%	0.839	75%	0.752	S	S	*	*			trans	-174.7	153.8	141.4	-84	0	0	0	0	109.7
244	P	37.2	Very low	29.1	Very low	118 Å²	118	138.2 Å²	138.2	77%	0.766	75%	0.748	S	S	*	*			cis	-120.7	161.4	-15.7	36.5	-22.2	0	0	0	113.3
245	K	29.7	Very low	29.4	Very low	201 Å²	201	143.2 Å²	143.2	87%	0.874	76%	0.758	S	S	*	*			trans	-108.2	139.6	154.5	-73.3	175.2	-180	167.9	0	107.6	L247	K245-L247 PolarHBondContact O-N 3.03Å
246	I	30.7	Very low	29.4	Very low	162 Å²	162	146.1 Å²	146.1	83%	0.831	77%	0.767	S	S	*	*			trans	-80.1	116.3	173.2	-60.9	177.1	0	0	0	109.1
247	L	29.8	Very low	29.5	Very low	152 Å²	152	147.7 Å²	147.7	80%	0.796	78%	0.775	S	S	*	*			trans	-149	109.5	166.7	-151.4	167.6	0	0	0	108.4	K245 T249	K245-L247 PolarHBondContact O-N 3.03Å; L247-T249 PolarHBondContact O-N 2.99Å
248	T	28.3	Very low	29.7	Very low	113 Å²	113	144.3 Å²	144.3	69%	0.693	77%	0.768	S	S	*	*			trans	-80.7	102.5	-166	-48.1	0	0	0	0	112.9
249	T	31.1	Very low	29.6	Very low	126 Å²	126	142.5 Å²	142.5	77%	0.773	76%	0.764	S	S	*	*			trans	-135.1	106.2	156.9	41.2	0	0	0	0	109.4	L247 L251	L247-T249 PolarHBondContact O-N 2.99Å; T249-L251 PolarHBondContact O-N 3.45Å
250	H	29.6	Very low	29.8	Very low	174 Å²	174	140.4 Å²	140.4	81%	0.806	77%	0.767	S	S	*	*			trans	-72.6	119.4	172.2	-91.1	-90.6	0	0	0	110.6
251	L	28.8	Very low	29.9	Very low	171 Å²	171	142.6 Å²	142.6	90%	0.895	78%	0.779	S	S	*	*			trans	-128.8	132.8	152.5	-86.3	169.6	0	0	0	108.4	T249	T249-L251 PolarHBondContact O-N 3.45Å
252	I	31.3	Very low	30.1	Very low	167 Å²	167	144.1 Å²	144.1	86%	0.856	79%	0.79	S	S	*	*			trans	-82.7	140.2	178.2	-63.9	169.5	0	0	0	108.3
253	Q	28.1	Very low	30.2	Very low	163 Å²	163	144.3 Å²	144.3	76%	0.762	79%	0.786	S	S	*	*			trans	-137.5	162.3	-175.8	-146.7	-178.2	16.8	0	0	111.7
254	N	30	Very low	30.1	Very low	126 Å²	126	145 Å²	145	67%	0.674	78%	0.779	S	S	*	*			trans	83.7	97.6	163.6	-52.8	-35.1	0	0	0	119.3
255	K	32	Very low	29.7	Very low	198 Å²	198	144.3 Å²	144.3	86%	0.861	78%	0.777	S	S	*	*				-168.2	117.4	109.4	-94.9	165.5	-177.4	-178.7	0	107.6
256	L	28.2	Very low	29.8	Very low	152 Å²	152	143.3 Å²	143.3	80%	0.796	78%	0.776	S	S	*	*				64.6	92.6	74.5	-73.9	171.2	0	0	0	114.6
257	N	29.4	Very low	29.7	Very low	157 Å²	157	139.9 Å²	139.9	84%	0.84	77%	0.766	S	S	*	*				-171	155.4	112.2	-106.7	8.6	0	0	0	112.8
258	P	31.7	Very low	29.6	Very low	101 Å²	101	139.5 Å²	139.5	66%	0.656	76%	0.764	S	S	*	*			trans	-103.5	-168.1	175.7	41.5	-35.5	0	0	0	113.9
259	D	27.7	Very low	29.4	Very low	145 Å²	145	139.7 Å²	139.7	78%	0.775	76%	0.761	S	S	*	*			trans	77.4	96.5	161.5	-59	-20.2	0	0	0	121
260	S	31.4	Very low	29.2	Very low	116 Å²	116	139.9 Å²	139.9	81%	0.811	76%	0.756	S	S	*	*			trans	176.2	102.7	132.8	30.4	0	0	0	0	109.7
261	L	29.5	Very low	29.1	Very low	156 Å²	156	136.8 Å²	136.8	82%	0.817	75%	0.749	S	S	*	*				76.6	96.2	76.5	-79.4	172.7	0	0	0	116.4
262	S	28.8	Very low	29	Very low	104 Å²	104	133.5 Å²	133.5	73%	0.727	74%	0.736	S	S	*	*			trans	62.4	151.5	143.7	53.2	0	0	0	0	118.7
263	T	29.7	Very low	28.7	Very low	108 Å²	108	131.8 Å²	131.8	66%	0.663	73%	0.729	S	S	*	*				-176.7	136.7	63.2	-60.6	0	0	0	0	111.2
264	I	30	Very low	28.7	Very low	136 Å²	136	129.7 Å²	129.7	70%	0.697	72%	0.723	S	S	*	*			trans	46.5	117.3	154.8	-63.1	167.9	0	0	0	117.9
265	S	27.9	Very low	28.5	Very low	103 Å²	103	132 Å²	132	72%	0.72	73%	0.727	S	S	*	*			cis	79.6	152.6	48	-60.1	0	0	0	0	115.9
266	Q	31.9	Very low	28.2	Very low	180 Å²	180	127.3 Å²	127.3	84%	0.841	72%	0.715	S	S	*	*			trans	76.2	147.2	175.1	-52.4	-178.8	11.1	0	0	116.6
267	S	29	Very low	28.1	Very low	89 Å²	89	127.3 Å²	127.3	62%	0.622	71%	0.711	S	S	*	*			cis	-165.4	162.4	-26.7	56.7	0	0	0	0	110.6
268	L	26.7	Very low	28.1	Very low	144 Å²	144	126.8 Å²	126.8	75%	0.754	70%	0.703	S	S	*	*			trans	38.7	117.4	139.9	-64.2	169.7	0	0	0	117.4
269	N	25.6	Very low	27.9	Very low	118 Å²	118	126.3 Å²	126.3	63%	0.631	70%	0.702	S	S	*	*				-179.8	160.4	59.7	-100.7	-24.6	0	0	0	113.5
270	I	26.7	Very low	27.8	Very low	130 Å²	130	123.5 Å²	123.5	67%	0.667	69%	0.694	S	S	*	*				26.2	131.1	123.4	-29.7	160.7	0	0	0	115.4
271	T	26.6	Very low	27.9	Very low	109 Å²	109	124.2 Å²	124.2	67%	0.669	69%	0.688	S	S	*	*				-169.4	141.8	50.2	-25.1	0	0	0	0	113.5
272	T	26.3	Very low	27.9	Very low	102 Å²	102	122.2 Å²	122.2	63%	0.626	68%	0.678	S	S	*	*			trans	50.3	128.5	140	57	0	0	0	0	124.4
273	N	26.2	Very low	28.1	Very low	131 Å²	131	123 Å²	123	70%	0.701	67%	0.674	S	S	*	*				92	146.6	117.8	-75.1	-7.9	0	0	0	122.4
274	N	26.6	Very low	28.2	Very low	118 Å²	118	123.2 Å²	123.2	63%	0.631	67%	0.672	S	S	*	*			trans	74.8	120.3	152.2	-71.8	-23.9	0	0	0	115.1
275	K	26.6	Very low	28.3	Very low	175 Å²	175	122.6 Å²	122.6	76%	0.761	67%	0.67	S	S	*	*				62.4	130.2	73.1	-68.2	-173.2	-171.7	176	0	109.5
276	T	25.7	Very low	28.6	Very low	100 Å²	100	123.5 Å²	123.5	61%	0.613	67%	0.667	S	S	*	*			cis	-171.7	170.9	18.7	0.8	0	0	0	0	109.6
277	H	27.1	Very low	28.5	Very low	152 Å²	152	120.3 Å²	120.3	70%	0.704	66%	0.659	S	S	*	*			trans	66.8	164.3	150.8	-71.6	-52.6	0	0	0	115
278	H	28.9	Very low	28.4	Very low	145 Å²	145	121.7 Å²	121.7	67%	0.671	67%	0.668	S	S	*	*			cis	-147.2	163.2	-7.6	-130.3	-55.8	0	0	0	108.8
279	S	26.6	Very low	28.6	Very low	92 Å²	92	122 Å²	122	64%	0.643	67%	0.669	S	S	*	*			trans	36.4	143.1	137.4	72.3	0	0	0	0	120.9
280	S	26.9	Very low	28.8	Very low	86 Å²	86	123.9 Å²	123.9	60%	0.601	67%	0.674	S	S	*	*			cis	177.8	-170	-0.1	39.5	0	0	0	0	107.3
281	D	32.6	Very low	29.1	Very low	130 Å²	130	126.8 Å²	126.8	70%	0.695	68%	0.681	S	S	*	*			trans	72.7	144	150.7	-64.9	-52.8	0	0	0	119.5
282	N	30.1	Very low	29.2	Very low	114 Å²	114	128.2 Å²	128.2	61%	0.61	69%	0.685	S	S	*	*			cis	-168.5	161.8	-32.3	-138.1	-33.4	0	0	0	108.9
283	N	31.5	Very low	29.5	Very low	120 Å²	120	132.5 Å²	132.5	64%	0.642	70%	0.698	S	S	*	*			trans	64.4	157.4	150.7	-67.1	-30.1	0	0	0	117.5
284	N	32.6	Very low	29.6	Very low	114 Å²	114	132.8 Å²	132.8	61%	0.61	70%	0.704	S	S	*	*			cis	-164.6	165.8	-12.9	-116.8	-19.5	0	0	0	111.3
285	N	33.1	Very low	29.7	Very low	123 Å²	123	133 Å²	133	66%	0.658	71%	0.713	S	S	*	*			trans	68	149.8	148.1	-64	-8.8	0	0	0	119.2
286	N	32.8	Very low	29.7	Very low	122 Å²	122	131.4 Å²	131.4	65%	0.652	71%	0.713	S	S	*	*			cis	-164.4	158.8	-12.5	-111.8	-17.6	0	0	0	113.2
287	T	30.8	Very low	29.9	Very low	112 Å²	112	133.3 Å²	133.3	69%	0.687	73%	0.725	S	S	*	*			trans	58.2	122.4	150.4	52.4	0	0	0	0	120.2
288	C	26.6	Very low	29.8	Very low	119 Å²	119	130.9 Å²	130.9	80%	0.804	72%	0.724	S	S	*	*				73.2	147.2	71.5	-57.4	0	0	0	0	113.4
289	I	31.2	Very low	29.8	Very low	150 Å²	150	130.4 Å²	130.4	77%	0.769	73%	0.726	S	S	*	*			cis	-156.7	157.2	49.7	-78.3	175.4	0	0	0	112.7
290	H	30.4	Very low	30	Very low	158 Å²	158	132.7 Å²	132.7	73%	0.731	73%	0.727	S	S	*	*			trans	-20.6	159.6	163.4	-59.4	-92.4	0	0	0	119.7
291	K	32.8	Very low	30	Very low	190 Å²	190	134.9 Å²	134.9	83%	0.826	73%	0.732	S	S	*	*			cis	-153.3	141.9	45.4	-61.9	171	-178.9	-179.9	0	110.8
292	N	27	Very low	29.9	Very low	140 Å²	140	133 Å²	133	75%	0.749	73%	0.729	S	S	*	*				53.7	111.1	71	-86.1	26.9	0	0	0	116
293	E	33.1	Very low	29.8	Very low	192 Å²	192	133.7 Å²	133.7	90%	0.897	73%	0.732	S	S	*	*				-167.4	156.5	118.2	-109.4	164.4	-141.4	0	0	112.8
294	T	27.9	Very low	29.8	Very low	136 Å²	136	135.2 Å²	135.2	83%	0.834	74%	0.735	S	S	*	*			trans	-139.9	146.2	-171.8	52.5	0	0	0	0	110.7
295	C	28.7	Very low	29.7	Very low	122 Å²	122	135.5 Å²	135.5	82%	0.824	74%	0.736	S	S	*	*			trans	-166.2	168.4	132.8	-138.1	0	0	0	0	114
296	N	26.6	Very low	29.5	Very low	142 Å²	142	136.1 Å²	136.1	76%	0.759	74%	0.74	S	S	*	*			trans	-81.4	172.2	171.6	-45.8	-66	0	0	0	111.3
297	V	30.6	Very low	29.4	Very low	140 Å²	140	136.3 Å²	136.3	85%	0.848	74%	0.741	S	S	*	*				-163.7	145.8	114.2	141.1	0	0	0	0	108.5
298	C	24.6	Very low	29.3	Very low	102 Å²	102	136.7 Å²	136.7	69%	0.689	74%	0.743	S	S	*	*			trans	-99.9	-152.7	179.3	-56.3	0	0	0	0	110.4
299	D	28.7	Very low	29.5	Very low	135 Å²	135	136.1 Å²	136.1	72%	0.722	74%	0.739	S	S	*	*			trans	75.7	141.8	169	-66	8.3	0	0	0	116.4
300	Q	31.5	Very low	29.3	Very low	140 Å²	140	135.1 Å²	135.1	65%	0.654	74%	0.736	S	S	*	*			cis	-158.5	171.1	-6.4	-121.4	179	65.9	0	0	110.9
301	N	27.7	Very low	29.4	Very low	131 Å²	131	134 Å²	134	70%	0.701	73%	0.734	S	S	*	*			trans	21.3	141.8	138.3	-62	-27	0	0	0	120.1
302	S	29.3	Very low	29.3	Very low	92 Å²	92	131.3 Å²	131.3	64%	0.643	73%	0.728	S	S	*	*			cis	-178.5	173.6	3.2	46.5	0	0	0	0	110.7
303	N	27.9	Very low	29.5	Very low	127 Å²	127	128.6 Å²	128.6	68%	0.679	72%	0.719	S	S	*	*			trans	19.2	136.5	140.7	-45.4	-15	0	0	0	118.9
304	H	32.2	Very low	29.4	Very low	152 Å²	152	127.2 Å²	127.2	70%	0.704	71%	0.713	S	S	*	*				-174.2	156.7	56.6	-105.9	-51.6	0	0	0	113.4
305	L	30.4	Very low	29.4	Very low	121 Å²	121	127.2 Å²	127.2	63%	0.634	71%	0.706	S	S	*	*			trans	51.3	112.4	137	-60.9	165.8	0	0	0	119.2
306	N	28.2	Very low	29.5	Very low	135 Å²	135	128.7 Å²	128.7	72%	0.722	71%	0.706	S	S	*	*				79.6	143.9	96.3	-68.3	16.9	0	0	0	113.7
307	N	31.3	Very low	29.8	Very low	126 Å²	126	126.1 Å²	126.1	67%	0.674	70%	0.699	S	S	*	*			cis	-167.8	153.4	46.6	-127.1	-12.3	0	0	0	111.5
308	T	29.2	Very low	29.8	Very low	120 Å²	120	126 Å²	126	74%	0.736	70%	0.699	S	S	*	*			trans	44.9	138.3	146.8	56.9	0	0	0	0	121.4
309	C	29.7	Very low	30.2	Very low	107 Å²	107	127.3 Å²	127.3	72%	0.723	71%	0.706	S	S	*	*			cis	-137.6	148	16.2	-92.5	0	0	0	0	109.6
310	N	27.9	Very low	30.4	Very low	130 Å²	130	126.7 Å²	126.7	70%	0.695	71%	0.712	S	S	*	*				65	118.4	61.6	-148.1	14.4	0	0	0	110.7
311	I	32.4	Very low	30.2	Very low	135 Å²	135	127.2 Å²	127.2	69%	0.692	72%	0.718	S	S	*	*				-165.6	135.7	70.4	-88.1	171.1	0	0	0	111.6
312	N	30.3	Very low	30.3	Very low	132 Å²	132	128.8 Å²	128.8	71%	0.706	73%	0.726	S	S	*	*			trans	42.9	152.3	144.8	-57.6	-6.3	0	0	0	122
313	C	30.6	Very low	30.1	Very low	84 Å²	84	132.9 Å²	132.9	57%	0.568	74%	0.735	S	S	*	*			cis	-167.5	-177.3	-7.6	-105.9	0	0	0	0	106.9
314	Q	31.5	Very low	30.2	Very low	163 Å²	163	132.5 Å²	132.5	76%	0.762	74%	0.742	S	S	*	*			cis	-151.9	125.5	-0.4	-124.1	145	-16.5	0	0	105.4
315	I	28.5	Very low	30.2	Very low	136 Å²	136	130.6 Å²	130.6	70%	0.697	74%	0.743	S	S	*	*				68.5	98.5	80.2	-59.5	168.7	0	0	0	114.6
316	N	30.5	Very low	30.1	Very low	153 Å²	153	130 Å²	130	82%	0.818	74%	0.744	S	S	*	*			trans	167.9	140	134.6	-87.7	-23	0	0	0	110
317	S	33.3	Very low	30.1	Very low	87 Å²	87	134.4 Å²	134.4	61%	0.608	75%	0.753	S	S	*	*			cis	-165.7	119.2	-11	48.4	0	0	0	0	112.6
318	T	29.6	Very low	30	Very low	139 Å²	139	134.8 Å²	134.8	85%	0.853	76%	0.755	S	S	*	*			trans	61.4	152.5	146.3	49.8	0	0	0	0	122.7
319	P	34.5	Very low	29.9	Very low	128 Å²	128	135 Å²	135	83%	0.831	75%	0.751	S	S	*	*			trans	-111.3	173.4	-176.5	43	-34.5	0	0	0	114.7
320	S	31.1	Very low	29.9	Very low	122 Å²	122	140.1 Å²	140.1	85%	0.853	76%	0.757	S	S	*	*			trans	-150	147.7	157.2	58.3	0	0	0	0	112
321	I	27.6	Very low	30	Very low	152 Å²	152	139.9 Å²	139.9	78%	0.779	75%	0.754	S	S	*	*			trans	-81	144.2	172.8	-65.4	157.5	0	0	0	108.9
322	D	29.3	Very low	29.9	Very low	164 Å²	164	139 Å²	139	88%	0.877	76%	0.757	S	S	*	*			trans	-150	109.9	147.7	-120.5	-21.7	0	0	0	109.4
323	E	26.4	Very low	29.9	Very low	178 Å²	178	138.4 Å²	138.4	83%	0.832	75%	0.754	S	S	*	*			trans	-87.3	121.5	166.8	-68.6	-172.5	140.8	0	0	108.6
324	S	30.2	Very low	29.7	Very low	118 Å²	118	142.4 Å²	142.4	83%	0.825	77%	0.768	S	S	*	*			trans	-153.6	147.8	159.4	-84.8	0	0	0	0	112.3
325	P	32	Very low	29.5	Very low	112 Å²	112	142.7 Å²	142.7	73%	0.727	77%	0.773	S	S	*	*			trans	-125.6	173.1	-152.7	43.2	-28.6	0	0	0	114.2
326	V	27.1	Very low	29.5	Very low	108 Å²	108	140 Å²	140	66%	0.655	77%	0.767	S	S	*	*			trans	60.5	124.7	160.6	175.4	0	0	0	0	116.9
327	Y	29.4	Very low	29.4	Very low	229 Å²	229	138.6 Å²	138.6	90%	0.898	77%	0.769	S	S	*	*				-170.8	129.1	116.7	-104.3	-65.8	0	0	0	112.5
328	D	28.3	Very low	29.1	Very low	134 Å²	134	142.3 Å²	142.3	72%	0.717	78%	0.781	S	S	*	*			trans	-76.6	167.7	170	-71.8	-70.6	0	0	0	112.9
329	N	27.9	Very low	29	Very low	123 Å²	123	142.3 Å²	142.3	66%	0.658	78%	0.781	S	S	*	*			trans	84.6	120.4	165.9	-49.1	-80.2	0	0	0	117.8	I331	N329-I331 HydrophobicContact CB-CD1 4.27Å
330	Y	29.9	Very low	28.7	Very low	216 Å²	216	139.4 Å²	139.4	85%	0.847	77%	0.768	S	S	*	*			trans	-175.3	88.2	135.6	-98.1	-69	0	0	0	105.2
331	I	30.3	Very low	28.5	Very low	124 Å²	124	137.4 Å²	137.4	64%	0.636	75%	0.746	S	S	*	*				56.8	128	64	-58.6	-174.1	0	0	0	111.5	N329	N329-I331 HydrophobicContact CB-CD1 4.27Å
332	P	29.4	Very low	28.6	Very low	116 Å²	116	134.6 Å²	134.6	75%	0.753	74%	0.736	S	S	*	*			trans	-101.3	122.1	-149.1	36.5	-32.6	0	0	0	115.6
333	D	29.5	Very low	28.6	Very low	121 Å²	121	131.7 Å²	131.7	65%	0.647	72%	0.724	S	S	*	*			trans	-105.5	96.9	178.9	-83.8	-46.1	0	0	0	114.4
334	I	27.7	Very low	28.6	Very low	168 Å²	168	128.7 Å²	128.7	86%	0.862	72%	0.718	S	S	*	*	S	Bend		-143.8	50.1	122	-41.6	-178.7	0	0	0	109.8
335	I	28	Very low	28.5	Very low	168 Å²	168	130.1 Å²	130.1	86%	0.862	72%	0.715	S	S	*	*	S	Bend	trans	-133	46.2	163.8	-41.6	-178.6	0	0	0	111
336	S	27.6	Very low	28.4	Very low	81 Å²	81	130.8 Å²	130.8	57%	0.566	71%	0.713	S	S	*	*			trans	-155.2	93.6	158.4	-162	0	0	0	0	112.8
337	S	28.3	Very low	28.6	Very low	123 Å²	123	132.7 Å²	132.7	86%	0.86	71%	0.714	S	S	*	*			trans	-147.9	31	162.9	-65	0	0	0	0	110.4
338	L	27.3	Very low	28.7	Very low	165 Å²	165	128 Å²	128	86%	0.864	71%	0.705	S	S	*	*			trans	-127.5	23.1	-164.6	-111.6	170.7	0	0	0	114.2
339	T	27.2	Very low	28.8	Very low	138 Å²	138	126.5 Å²	126.5	85%	0.847	70%	0.704	S	S	*	*			trans	-149.5	64.3	172.4	18.2	0	0	0	0	112.5
340	A	27.9	Very low	28.9	Very low	67 Å²	67	126.4 Å²	126.4	55%	0.554	71%	0.708	S	S	*	*	S	Bend	trans	-138.6	129.7	157	0	0	0	0	0	108.4
341	M	26.9	Very low	28.9	Very low	80 Å²	80	123.6 Å²	123.6	39%	0.394	70%	0.7	S	S	.	*			trans	67.5	97.1	-176.4	-41.5	149.2	-118.1	0	0	114.3	V428 G429 T431	M341-V428 HydrophobicContact CE-CG1 4.46Å; M341-V428 HydrophobicContact CG-CG1 4.1Å; M341-G429 WeakPolarHBondContact SD-CA 3.36Å; M341-G429 PolarHBondContact SD-N 2.99Å; M341-T431 HydrophobicContact CB-CG2 4.17Å; M341-T431 WeakPolarHBondContact O-CG2 3.39Å
342	T	30.7	Very low	28.8	Very low	93 Å²	93	122.4 Å²	122.4	57%	0.571	69%	0.694	S	S	*	*				-146.3	131.2	123	-55.1	0	0	0	0	107.4	T431	T342-T431 HydrophobicContact CG2-CG2 4.29Å; T342-T431 WeakPolarHBondContact OG1-CG2 3.45Å
343	T	29	Very low	28.8	Very low	104 Å²	104	118.2 Å²	118.2	64%	0.638	67%	0.666	S	S	*	*			trans	-57.9	134.9	-178.5	17.3	0	0	0	0	113.7
344	T	26.1	Very low	28.8	Very low	114 Å²	114	114.9 Å²	114.9	70%	0.699	65%	0.65	S	S	*	*			trans	22.5	128.1	135.1	58.2	0	0	0	0	118.7
345	I	29	Very low	28.8	Very low	149 Å²	149	112.2 Å²	112.2	76%	0.764	64%	0.641	S	S	*	*				-173.3	136.6	110.6	-98.8	154.2	0	0	0	111.4
346	N	28.8	Very low	28.8	Very low	126 Å²	126	109.4 Å²	109.4	67%	0.674	63%	0.632	S	S	*	*			trans	62.8	132.8	158.5	-72.7	3.2	0	0	0	123.3
347	H	31.5	Very low	28.9	Very low	148 Å²	148	112.8 Å²	112.8	69%	0.685	64%	0.644	S	S	*	*			trans	54.1	131.8	135.5	-59.8	-49.4	0	0	0	120.3
348	N	31.3	Very low	28.9	Very low	131 Å²	131	111.4 Å²	111.4	70%	0.701	63%	0.634	S	S	*	*			cis	-159.3	168.7	7.8	-107.6	-19.6	0	0	0	112.1
349	S	30.5	Very low	28.9	Very low	102 Å²	102	108 Å²	108	71%	0.713	62%	0.624	S	S	*	*			trans	19.9	135.5	140.5	-45.1	0	0	0	0	118.9
350	V	31.2	Very low	29.2	Very low	121 Å²	121	110.1 Å²	110.1	73%	0.733	62%	0.622	S	S	*	*			cis	-158.4	169.6	31.9	-161.4	0	0	0	0	104.2
351	K	29.1	Very low	29.3	Very low	156 Å²	156	115.3 Å²	115.3	68%	0.678	63%	0.634	S	S	*	*			cis	63.9	151.9	39.8	-68.8	153.6	-170.8	161.5	0	111.6	L353	K351-L353 HydrophobicContact CG-CD1 4.35Å
352	L	28.9	Very low	29.6	Very low	99 Å²	99	115.8 Å²	115.8	52%	0.518	65%	0.646	S	S	.	*			cis	-157.1	72	20.9	-159.1	95	0	0	0	117.8	K455	L352-K455 PolarHBondContact O-NZ 3.32Å
353	L	28.9	Very low	29.5	Very low	28 Å²	28	118.8 Å²	118.8	15%	0.147	65%	0.653	C	S	.	*				75.4	0	116.7	-65.8	163.8	0	0	0	118.5	K351 T453 E454 K455	K351-L353 HydrophobicContact CG-CD1 4.35Å; L353-T453 VanDerWaalsContact C-CB 3.49Å; L353-T453 VanDerWaalsContact C-OG1 3.32Å; L353-E454 VanDerWaalsContact CA-OE2 3.29Å; L353-E454 WeakPolarHBondContact CA-OE2 3.45Å; L353-E454 HydrophobicContact CB-CB 4.41Å; L353-E454 HydrophobicContact CD2-CB 4.06Å; L353-E454 HydrophobicContact CD2-CG 3.53Å; L353-E454 WeakPolarHBondContact CD2-O 3.31Å; L353-E454 WeakPolarHBondContact CD2-OE1 3.44Å; L353-E454 HydrophobicContact CG-CB 4.45Å; L353-E454 HydrophobicContact CG-CG 4.12Å; L353-E454 WeakPolarHBondContact CG-OE1 3.42Å; L353-E454 VanDerWaalsContact CG-OE2 3.3Å; L353-E454 WeakPolarHBondContact CG-OE2 3.4Å; L353-E454 PolarHBondContact N-OE2 3.35Å; L353-K455 HydrophobicContact CB-CB 3.47Å; L353-K455 VanDerWaalsContact CB-CB 3.47Å; L353-K455 HydrophobicContact CB-CD 4.5Å; L353-K455 HydrophobicContact CB-CG 3.17Å; L353-K455 HydrophobicContact CD1-CG 4.5Å; L353-K455 HydrophobicContact CG-CG 4.41Å; L353-K455 WeakPolarHBondContact O-CG 3.17Å; L353-K455 PolarHBondContact O-NZ 3.22Å
354	T	28.9	Very low	29.7	Very low	52 Å²	52	120.8 Å²	120.8	32%	0.319	66%	0.655	S	S	.	*				0	-167	0	20.4	0	0	0	0	111.2	T453 E454 K455	T354-T453 VanDerWaalsContact CA-OG1 3.23Å; T354-T453 WeakPolarHBondContact CA-OG1 3.41Å; T354-T453 PolarHBondContact N-OG1 2.59Å; T354-T453 PolarHBondContact O-OG1 2.9Å; T354-E454 VanDerWaalsContact CA-N 3.26Å; T354-K455 WeakPolarHBondContact CG2-O 3.48Å; T354-K455 VanDerWaalsContact N-CB 3.29Å; T354-K455 WeakPolarHBondContact OG1-CA 3.5Å; T354-K455 WeakPolarHBondContact OG1-CB 3.27Å; T354-K455 PolarHBondContact OG1-N 2.95Å; T354-K455 PolarHBondContact OG1-O 2.77Å
355	T	28.9	Very low	29.9	Very low	111 Å²	111	122.5 Å²	122.5	68%	0.681	66%	0.655	S	S	*	*				-174.7	177.7	57.9	-17.8	0	0	0	0	120.8
356	T	27.4	Very low	30	Very low	109 Å²	109	121.6 Å²	121.6	67%	0.669	65%	0.651	S	S	*	*			trans	-62	169.1	-175.8	50.6	0	0	0	0	117.6
357	N	28.6	Very low	30.1	Very low	152 Å²	152	122.3 Å²	122.3	81%	0.813	65%	0.654	S	S	*	*			trans	96.3	150.5	163.9	-58	-26.9	0	0	0	116.7
358	S	28.3	Very low	30.1	Very low	94 Å²	94	122.7 Å²	122.7	66%	0.657	66%	0.658	S	S	*	*			cis	-176.4	144.9	-21	54.5	0	0	0	0	114.4
359	S	28.3	Very low	30.1	Very low	94 Å²	94	120.6 Å²	120.6	66%	0.657	65%	0.654	S	S	*	*			trans	75.9	160.5	141.7	79.5	0	0	0	0	123.5
360	K	32.4	Very low	30.1	Very low	183 Å²	183	122.1 Å²	122.1	80%	0.796	65%	0.654	S	S	*	*			trans	87.9	111.2	162.8	-63.3	166.9	-173.1	-179.1	0	116.2
361	H	30.8	Very low	30.2	Very low	175 Å²	175	122.1 Å²	122.1	81%	0.81	65%	0.65	S	S	*	*				81	146	84	-86.7	-68.3	0	0	0	112.8
362	S	32.9	Very low	30.4	Very low	91 Å²	91	120.9 Å²	120.9	64%	0.636	65%	0.65	S	S	*	*			cis	-152	151.8	21.2	51.6	0	0	0	0	112.8
363	Q	29.9	Very low	30.5	Very low	156 Å²	156	121.6 Å²	121.6	73%	0.729	66%	0.664	S	S	*	*				45.5	140.7	110.4	-52.9	171.2	-45.9	0	0	116.8
364	H	32	Very low	30.6	Very low	146 Å²	146	125.5 Å²	125.5	68%	0.676	69%	0.693	S	S	*	*			cis	-128.5	155.1	29.7	-93.3	-106.7	0	0	0	112.3
365	Q	30.4	Very low	30.6	Very low	150 Å²	150	126.9 Å²	126.9	70%	0.701	71%	0.705	S	S	*	*				59.9	147.3	70.6	-94.8	-176.2	10.9	0	0	113.7
366	L	30.8	Very low	30.7	Very low	130 Å²	130	127.7 Å²	127.7	68%	0.681	71%	0.705	S	S	*	*			cis	-155.2	176.1	21.9	-138.1	163.9	0	0	0	109.8
367	L	31	Very low	31	Very low	140 Å²	140	127.8 Å²	127.8	73%	0.733	70%	0.702	S	S	*	*			trans	74.6	152.1	174.5	-49.6	176.5	0	0	0	114.6
368	M	32.7	Very low	31.2	Very low	157 Å²	157	126.1 Å²	126.1	77%	0.773	69%	0.693	S	S	*	*			cis	-153.6	174.5	-12.6	-118.6	-67	165.5	0	0	112.9
369	S	30.4	Very low	31.6	Very low	87 Å²	87	128 Å²	128	61%	0.608	70%	0.696	S	S	*	*			trans	-80.9	179.1	178.9	-36.4	0	0	0	0	114.1
370	N	30.8	Very low	31.7	Very low	133 Å²	133	129.8 Å²	129.8	71%	0.711	70%	0.698	S	S	*	*			cis	-165.9	173.4	15.2	-138.3	0.7	0	0	0	112.6
371	N	33.2	Very low	31.6	Very low	121 Å²	121	128.6 Å²	128.6	65%	0.647	69%	0.693	S	S	*	*			trans	70.3	150.4	158.6	-58.6	-11	0	0	0	117.9
372	N	32.4	Very low	31.6	Very low	130 Å²	130	126.4 Å²	126.4	70%	0.695	69%	0.685	S	S	*	*			cis	-164.5	152.6	-11.2	-114	-12.4	0	0	0	111.8
373	S	32.3	Very low	31.5	Very low	114 Å²	114	128.8 Å²	128.8	80%	0.797	69%	0.686	S	S	*	*			trans	58.3	160	151.1	55.6	0	0	0	0	120.2
374	S	31	Very low	31.4	Very low	110 Å²	110	126.3 Å²	126.3	77%	0.769	68%	0.681	S	S	*	*			cis	-157.4	160.3	-26.6	179.9	0	0	0	0	109.4
375	S	28.4	Very low	31.4	Very low	82 Å²	82	125.4 Å²	125.4	57%	0.573	68%	0.682	S	S	*	*			trans	-59.6	-177.9	176	60.6	0	0	0	0	117.2
376	N	31.9	Very low	31.3	Very low	127 Å²	127	124.7 Å²	124.7	68%	0.679	68%	0.683	S	S	*	*			trans	79.4	149.2	153.1	-64.7	-7.7	0	0	0	116.7
377	N	33.5	Very low	31.5	Very low	112 Å²	112	125.2 Å²	125.2	60%	0.599	69%	0.686	S	S	*	*			cis	-162	165.7	-9.8	-115.9	-12.6	0	0	0	112.9
378	N	32.3	Very low	31.5	Very low	117 Å²	117	126.6 Å²	126.6	63%	0.626	69%	0.688	S	S	*	*			trans	39.9	122.7	143.6	-53.6	-17.6	0	0	0	120.6
379	N	35.8	Very low	31.4	Very low	133 Å²	133	125.1 Å²	125.1	71%	0.711	68%	0.682	S	S	*	*				172.9	137.5	102.4	-88.7	-54.8	0	0	0	108.9
380	N	31.9	Very low	31.5	Very low	131 Å²	131	127.9 Å²	127.9	70%	0.701	69%	0.685	S	S	*	*				56.8	134.5	76.2	-61.8	-45.9	0	0	0	112.5
381	F	30.6	Very low	31.6	Very low	159 Å²	159	129.4 Å²	129.4	70%	0.697	69%	0.688	S	S	*	*			cis	-149.1	-170.8	24	-159.4	-118.3	0	0	0	114.2
382	M	28.9	Very low	31.2	Very low	129 Å²	129	128.9 Å²	128.9	64%	0.635	69%	0.694	S	S	*	*			trans	-79.9	-171	-164.8	-52.7	167.8	60.6	0	0	115.4
383	Q	32.3	Very low	31.4	Very low	141 Å²	141	128.1 Å²	128.1	66%	0.659	70%	0.696	S	S	*	*			trans	84.5	143.1	147	-74.7	156.7	-19.2	0	0	118.6
384	T	28.1	Very low	31.3	Very low	103 Å²	103	130.9 Å²	130.9	63%	0.632	70%	0.696	S	S	*	*			cis	-178.5	176.4	-31.2	23.1	0	0	0	0	106.7
385	N	31.3	Very low	31.4	Very low	128 Å²	128	132.7 Å²	132.7	68%	0.684	70%	0.696	S	S	*	*			trans	80.3	119.3	165.1	-51.2	-32.5	0	0	0	113.4
386	N	28.5	Very low	31.6	Very low	135 Å²	135	135 Å²	135	72%	0.722	71%	0.707	S	S	*	*				69.5	103.4	66.9	-60.5	-5.5	0	0	0	111.4
387	D	33.8	Very low	31.6	Very low	140 Å²	140	133.6 Å²	133.6	75%	0.749	71%	0.707	S	S	*	*				-167.5	156.2	96.1	-81.6	-30.6	0	0	0	107.3
388	H	31.3	Very low	31.7	Very low	170 Å²	170	132.9 Å²	132.9	79%	0.787	71%	0.71	S	S	*	*				58.9	135.7	53.4	-78.5	-18.2	0	0	0	110.7
389	I	30.8	Very low	31.8	Very low	126 Å²	126	133 Å²	133	65%	0.646	72%	0.715	S	S	*	*			cis	-163.1	161	11.2	-150.4	164.9	0	0	0	111.4
390	H	32.7	Very low	31.7	Very low	144 Å²	144	132 Å²	132	67%	0.667	71%	0.714	S	S	*	*			trans	67.6	141.7	153.1	-80.9	-47	0	0	0	125.8
391	Q	32.6	Very low	31.8	Very low	165 Å²	165	131.6 Å²	131.6	77%	0.771	71%	0.712	S	S	*	*			trans	92.5	114.5	130.7	-78.4	162.1	44.8	0	0	122.8
392	S	25.3	Very low	32	Very low	110 Å²	110	131.3 Å²	131.3	77%	0.769	71%	0.713	S	S	*	*			trans	-67.7	-179.5	150.6	-17.9	0	0	0	0	111.3
393	P	37.1	Very low	32.1	Very low	114 Å²	114	130.2 Å²	130.2	74%	0.74	72%	0.717	S	S	*	*			cis	-148.6	-164.4	36.5	43	-19.8	0	0	0	117.7
394	H	30	Very low	32.3	Very low	172 Å²	172	128.9 Å²	128.9	80%	0.796	72%	0.721	S	S	*	*			trans	-36.2	162	171.7	-48	-84.3	0	0	0	118.5
395	I	32.9	Very low	32.5	Very low	149 Å²	149	129.9 Å²	129.9	76%	0.764	73%	0.727	S	S	*	*				179.3	122.6	113.1	-94.3	159.3	0	0	0	113.8
396	T	31.6	Very low	32.4	Very low	131 Å²	131	132 Å²	132	80%	0.804	73%	0.73	S	S	*	*			trans	56	158.2	155.7	55.9	0	0	0	0	121.6
397	S	33.3	Very low	32.3	Very low	97 Å²	97	130.4 Å²	130.4	68%	0.678	73%	0.725	S	S	*	*			cis	-159.5	164	-5.1	38.3	0	0	0	0	112
398	S	33.9	Very low	32	Very low	97 Å²	97	130.9 Å²	130.9	68%	0.678	73%	0.725	S	S	*	*			trans	62.6	135.8	146.8	55.1	0	0	0	0	120.6
399	T	34.4	Very low	31.9	Very low	118 Å²	118	129.9 Å²	129.9	72%	0.724	73%	0.725	S	S	*	*			cis	-167.3	149.1	-6.4	12.9	0	0	0	0	110.6
400	T	34.8	Very low	31.9	Very low	114 Å²	114	127.3 Å²	127.3	70%	0.699	73%	0.73	S	S	*	*			trans	61	142.5	151.5	57.4	0	0	0	0	119.8
401	N	33.9	Very low	31.9	Very low	122 Å²	122	128.8 Å²	128.8	65%	0.652	74%	0.741	S	S	*	*			cis	-162.6	150.5	-3.3	-115.9	-4.3	0	0	0	112.3
402	H	35.5	Very low	31.8	Very low	153 Å²	153	128 Å²	128	71%	0.708	74%	0.743	S	S	*	*			trans	58.5	120.7	163.1	-48.2	-49.7	0	0	0	117.7
403	S	30.4	Very low	32	Very low	105 Å²	105	132.4 Å²	132.4	73%	0.734	75%	0.748	S	S	*	*			cis	69.6	154.1	14.2	-25	0	0	0	0	115.8
404	P	35.7	Very low	31.9	Very low	114 Å²	114	132 Å²	132	74%	0.74	75%	0.745	S	S	*	*			cis	-139	-155.6	-3.6	28.2	-1.7	0	0	0	114.4
405	V	32.2	Very low	31.7	Very low	124 Å²	124	135.8 Å²	135.8	75%	0.752	75%	0.753	S	S	*	*			trans	85	138.2	159.7	-176.7	0	0	0	0	117
406	F	29.8	Very low	31.5	Very low	172 Å²	172	133.5 Å²	133.5	75%	0.754	75%	0.75	S	S	*	*			cis	-153.4	159.6	-29.4	-123.1	-108.6	0	0	0	104.4
407	T	26.6	Very low	31.5	Very low	101 Å²	101	130.9 Å²	130.9	62%	0.62	74%	0.737	S	S	*	*			cis	71.2	151.8	26.1	56.5	0	0	0	0	114.9
408	M	27.3	Very low	31.3	Very low	151 Å²	151	131.8 Å²	131.8	74%	0.744	74%	0.738	S	S	*	*			cis	-157.5	156.7	-15	-124.9	-175.2	-177	0	0	110.7
409	N	29	Very low	31.2	Very low	148 Å²	148	134.9 Å²	134.9	79%	0.791	75%	0.747	S	S	*	*			trans	49.7	139.1	147.7	-56.5	-12	0	0	0	122.8
410	G	31.6	Very low	30.9	Very low	73 Å²	73	132.4 Å²	132.4	75%	0.753	75%	0.745	S	S	*	*			trans	-173	36.7	177.6	0	0	0	0	0	123.4
411	I	31.6	Very low	30.7	Very low	175 Å²	175	137.5 Å²	137.5	90%	0.897	75%	0.753	S	S	*	*			trans	66.7	137.9	155.6	-57.6	174.4	0	0	0	120.3
412	N	30.4	Very low	30.4	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	76%	0.763	S	S	*	*			trans	-73.3	142.4	-176.8	-50.7	-73	0	0	0	116.6
413	K	31.1	Very low	30.1	Very low	202 Å²	202	136.9 Å²	136.9	88%	0.878	76%	0.759	S	S	*	*				-177.8	163.8	109.7	-96.9	174.8	-178.3	-178.1	0	112.1
414	P	34.3	Very low	29.9	Very low	106 Å²	106	137.6 Å²	137.6	69%	0.688	76%	0.764	S	S	*	*			trans	-112	174.3	-150.4	42.8	-38	0	0	0	117.3
415	W	26.5	Very low	29.4	Very low	250 Å²	250	142.7 Å²	142.7	95%	0.947	77%	0.768	S	S	*	*			trans	70.4	123.7	-174.8	-66.6	43.9	0	0	0	112.3
416	S	28.6	Very low	29	Very low	101 Å²	101	144.6 Å²	144.6	71%	0.706	77%	0.773	S	S	*	*			cis	-168.4	171.8	34.1	54.7	0	0	0	0	112.4
417	S	30.3	Very low	29	Very low	77 Å²	77	141.7 Å²	141.7	54%	0.538	77%	0.769	S	S	.	*			trans	67.2	151.5	171.3	-44.3	0	0	0	0	115.9	H493	S417-H493 PolarHBondContact OG-NE2 3.43Å
418	V	29.4	Very low	29	Very low	115 Å²	115	142.2 Å²	142.2	70%	0.697	77%	0.771	S	S	*	*			cis	-133	157.9	7.4	173.8	0	0	0	0	109.9
419	D	31.1	Very low	28.9	Very low	163 Å²	163	136.7 Å²	136.7	87%	0.872	75%	0.753	S	S	*	*			trans	54.8	107.8	165.2	-71.2	-12.9	0	0	0	121.1
420	G	29.1	Very low	29	Very low	66 Å²	66	136 Å²	136	68%	0.68	75%	0.754	S	S	*	*			trans	-160	140.1	153.6	0	0	0	0	0	111.3
421	Y	30.6	Very low	28.7	Very low	221 Å²	221	135 Å²	135	87%	0.867	73%	0.734	S	S	*	*			trans	-138.1	93.4	162.3	-94.4	-70.7	0	0	0	110.6
422	N	26.9	Very low	28.6	Very low	160 Å²	160	134.8 Å²	134.8	86%	0.856	73%	0.733	S	S	*	*			trans	-126.8	94.2	162.2	-171.2	12.9	0	0	0	107.3
423	T	29.9	Very low	28.4	Very low	102 Å²	102	134 Å²	134	63%	0.626	72%	0.722	S	S	*	*			trans	-137.8	102	-177.4	55.2	0	0	0	0	111.8	R425	T423-R425 PolarHBondContact O-N 3.31Å
424	S	25.7	Very low	28.4	Very low	119 Å²	119	132.6 Å²	132.6	83%	0.832	72%	0.719	S	S	*	*			trans	-54.7	129.4	158.8	-44.6	0	0	0	0	109.9
425	R	26.2	Very low	28.1	Very low	221 Å²	221	134 Å²	134	83%	0.834	72%	0.716	S	S	*	*			trans	-141.8	110.4	164.5	-105.4	-177	179.4	170.8	0.7	111.3	T423	T423-R425 PolarHBondContact O-N 3.31Å
426	I	23.5	Very low	28.3	Very low	165 Å²	165	125.3 Å²	125.3	85%	0.846	69%	0.686	S	S	*	*			trans	-65.7	132.9	160.1	-61.8	164.9	0	0	0	107.1	V428	I426-V428 HydrophobicContact CG2-CG2 4.48Å
427	V	28.7	Very low	28.2	Very low	111 Å²	111	127.4 Å²	127.4	67%	0.673	69%	0.688	S	S	*	*			trans	-134.6	132.5	171.1	-179.7	0	0	0	0	109
428	V	26.5	Very low	28.2	Very low	111 Å²	111	129 Å²	129	67%	0.673	69%	0.687	S	S	*	*			trans	-122.5	142.3	175.6	179.1	0	0	0	0	107.8	M341 I426	M341-V428 HydrophobicContact CE-CG1 4.46Å; M341-V428 HydrophobicContact CG-CG1 4.1Å; I426-V428 HydrophobicContact CG2-CG2 4.48Å
429	G	25.6	Very low	28.1	Very low	35 Å²	35	128.2 Å²	128.2	36%	0.361	69%	0.686	S	S	.	*			trans	98.5	138.3	-172.3	0	0	0	0	0	112.5	M341	M341-G429 WeakPolarHBondContact SD-CA 3.36Å; M341-G429 PolarHBondContact SD-N 2.99Å
430	T	30.8	Very low	28.1	Very low	134 Å²	134	126.5 Å²	126.5	82%	0.822	67%	0.673	S	S	*	*			cis	-154.8	164.9	-3	43.6	0	0	0	0	111.1
431	T	26.4	Very low	28.1	Very low	52 Å²	52	129.5 Å²	129.5	32%	0.319	67%	0.669	S	S	.	*			trans	-87.8	155.7	-175.3	46.3	0	0	0	0	116.4	M341 T342	M341-T431 HydrophobicContact CB-CG2 4.17Å; M341-T431 WeakPolarHBondContact O-CG2 3.39Å; T342-T431 HydrophobicContact CG2-CG2 4.29Å; T342-T431 WeakPolarHBondContact OG1-CG2 3.45Å
432	I	29.6	Very low	28.1	Very low	170 Å²	170	127.7 Å²	127.7	87%	0.872	67%	0.666	S	S	*	*			trans	-127.4	137.7	146.8	-62.5	-179.8	0	0	0	107.6
433	K	26.2	Very low	28	Very low	132 Å²	132	125.7 Å²	125.7	57%	0.574	66%	0.655	S	S	*	*			trans	-92.6	142.9	-179.4	-66.1	-177.3	166.5	-154	0	111.8	E435	K433-E435 IonicContact NZ-OE1 2.81Å; K433-E435 PolarHBondContact NZ-OE1 2.88Å
434	E	30.9	Very low	28	Very low	174 Å²	174	125.8 Å²	125.8	81%	0.813	66%	0.66	S	S	*	*			trans	-138.2	121.2	144.6	-71.2	-169.2	149.5	0	0	108.2
435	E	28.2	Very low	28.1	Very low	135 Å²	135	127.6 Å²	127.6	63%	0.631	66%	0.66	S	S	*	*			trans	-104.5	135.1	-177.4	-66.9	163.5	172.8	0	0	109.6	K433	K433-E435 IonicContact NZ-OE1 2.81Å; K433-E435 PolarHBondContact NZ-OE1 2.88Å
436	E	30.2	Very low	28	Very low	68 Å²	68	123.8 Å²	123.8	32%	0.318	66%	0.662	S	S	.	*			trans	-147.8	99.4	159.2	-143.8	163.2	-136.4	0	0	113.4	R6 R7	R6-E436 HydrophobicContact CB-CG 4.22Å; R6-E436 PolarHBondContact NH1-O 2.94Å; R7-E436 WeakPolarHBondContact CD-OE1 3.45Å; R7-E436 IonicContact CZ-OE1 2.64Å; R7-E436 IonicContact NE-OE1 3.88Å; R7-E436 PolarHBondContact NE-OE1 3.09Å; R7-E436 VanDerWaalsContact NE-OE1 3.12Å; R7-E436 IonicContact NH1-OE1 2.76Å; R7-E436 PolarHBondContact NH1-OE1 2.96Å; R7-E436 IonicContact NH2-OE1 3.53Å; R7-E436 PolarHBondContact NH2-OE1 3.01Å
437	I	27.1	Very low	28.2	Very low	144 Å²	144	121 Å²	121	74%	0.738	65%	0.652	S	S	*	*			trans	-79.3	133.9	-178.8	-58.5	156.4	0	0	0	110.4
438	E	29.8	Very low	28.1	Very low	112 Å²	112	124.1 Å²	124.1	52%	0.523	66%	0.657	S	S	.	*			trans	-139.7	130.3	133.8	-56	153.4	166.6	0	0	105.8	R6	R6-E438 HydrophobicContact CG-CG 4.41Å; R6-E438 IonicContact CZ-OE2 2.86Å; R6-E438 IonicContact NE-OE1 3.12Å; R6-E438 IonicContact NE-OE2 2.92Å; R6-E438 PolarHBondContact NE-OE2 3.01Å; R6-E438 PolarHBondContact NH2-O 3.49Å; R6-E438 IonicContact NH2-OE2 3.37Å; R6-E438 PolarHBondContact NH2-OE2 3.04Å
439	S	26.2	Very low	28.1	Very low	98 Å²	98	126.3 Å²	126.3	69%	0.685	66%	0.66	S	S	*	*			trans	-92.4	155.9	169	49	0	0	0	0	110.2
440	E	31.3	Very low	28.2	Very low	127 Å²	127	129 Å²	129	59%	0.593	67%	0.673	S	S	*	*			trans	-145.3	143.2	138.9	-121.7	173	-156.8	0	0	109	S241	S241-E440 VanDerWaalsContact CB-OE2 3.23Å; S241-E440 WeakPolarHBondContact CB-OE2 3.39Å; S241-E440 PolarHBondContact OG-OE2 2.91Å
441	E	29.7	Very low	28	Very low	129 Å²	129	127.7 Å²	127.7	60%	0.603	67%	0.668	S	S	*	*			trans	-93.8	157.7	-168.5	-61.1	176	100.2	0	0	112	N443	E441-N443 PolarHBondContact OE1-ND2 3.19Å
442	F	30.1	Very low	28.1	Very low	183 Å²	183	132.4 Å²	132.4	80%	0.803	69%	0.691	S	S	*	*			trans	-139.9	89.8	144.5	-126.3	-83.7	0	0	0	109.9	L240	L240-F442 HydrophobicContact CD2-CE2 3.99Å
443	N	26.4	Very low	28.2	Very low	117 Å²	117	127.8 Å²	127.8	63%	0.626	67%	0.671	S	S	*	*			trans	-76.5	138.3	173.2	-69.1	-55.4	0	0	0	110.5	E441	E441-N443 PolarHBondContact OE1-ND2 3.19Å
444	S	28.8	Very low	28.4	Very low	104 Å²	104	126.7 Å²	126.7	73%	0.727	67%	0.668	S	S	*	*			trans	-178.6	157.6	134.4	39.8	0	0	0	0	111.9
445	L	28.1	Very low	28.5	Very low	158 Å²	158	122.8 Å²	122.8	83%	0.827	65%	0.649	S	S	*	*			trans	67.2	51.3	168.8	-57.3	175.6	0	0	0	117.9
446	T	24.8	Very low	28.7	Very low	141 Å²	141	120.4 Å²	120.4	87%	0.865	64%	0.64	S	S	*	*			trans	-114.3	110.6	141.4	52.7	0	0	0	0	109.4
447	T	27.3	Very low	28.8	Very low	107 Å²	107	123.7 Å²	123.7	66%	0.656	66%	0.659	S	S	*	*			trans	-119	96.5	-172.7	-57.1	0	0	0	0	112.1
448	F	25.9	Very low	29	Very low	176 Å²	176	124.2 Å²	124.2	77%	0.772	66%	0.656	S	S	*	*			trans	69.5	160.8	148.4	-69.8	-151.1	0	0	0	116.5
449	Q	27.3	Very low	29.1	Very low	157 Å²	157	125.6 Å²	125.6	73%	0.734	67%	0.667	S	S	*	*			cis	-170.3	167.5	-20.2	-101.3	-171.7	21.4	0	0	106.6
450	S	26.4	Very low	29.2	Very low	91 Å²	91	125.6 Å²	125.6	64%	0.636	67%	0.667	S	S	*	*			cis	-171.9	177.9	-21.9	-167.3	0	0	0	0	109.3
451	C	26.9	Very low	29.2	Very low	106 Å²	106	125.2 Å²	125.2	72%	0.716	67%	0.673	S	S	*	*			trans	70.6	132.2	167.1	-56.5	0	0	0	0	117.5
452	N	29.1	Very low	29.1	Very low	151 Å²	151	123.5 Å²	123.5	81%	0.807	68%	0.676	S	S	*	*			cis	100.6	132.6	31.3	-71.4	-22.9	0	0	0	112.3
453	T	31	Very low	29	Very low	73 Å²	73	121 Å²	121	45%	0.448	68%	0.676	S	S	.	*			cis	-158.3	-178.5	23.7	50.1	0	0	0	0	110.7	L353 T354	L353-T453 VanDerWaalsContact C-CB 3.49Å; L353-T453 VanDerWaalsContact C-OG1 3.32Å; T354-T453 VanDerWaalsContact CA-OG1 3.23Å; T354-T453 WeakPolarHBondContact CA-OG1 3.41Å; T354-T453 PolarHBondContact N-OG1 2.59Å; T354-T453 PolarHBondContact O-OG1 2.9Å
454	E	31.5	Very low	29	Very low	110 Å²	110	124.4 Å²	124.4	51%	0.514	69%	0.685	S	S	.	*			cis	146.7	-39.8	-21.6	-164.5	-119.7	159.9	0	0	119.2	L353 T354	L353-E454 VanDerWaalsContact CA-OE2 3.29Å; L353-E454 WeakPolarHBondContact CA-OE2 3.45Å; L353-E454 HydrophobicContact CB-CB 4.41Å; L353-E454 HydrophobicContact CD2-CB 4.06Å; L353-E454 HydrophobicContact CD2-CG 3.53Å; L353-E454 WeakPolarHBondContact CD2-O 3.31Å; L353-E454 WeakPolarHBondContact CD2-OE1 3.44Å; L353-E454 HydrophobicContact CG-CB 4.45Å; L353-E454 HydrophobicContact CG-CG 4.12Å; L353-E454 WeakPolarHBondContact CG-OE1 3.42Å; L353-E454 VanDerWaalsContact CG-OE2 3.3Å; L353-E454 WeakPolarHBondContact CG-OE2 3.4Å; L353-E454 PolarHBondContact N-OE2 3.35Å; T354-E454 VanDerWaalsContact CA-N 3.26Å
455	K	33.9	Very low	28.9	Very low	92 Å²	92	124.2 Å²	124.2	40%	0.4	68%	0.684	S	S	.	*			trans	-64.1	168.9	-175.1	-94.2	177	-164.5	66.3	0	117.8	L352 L353 T354	L352-K455 PolarHBondContact O-NZ 3.32Å; L353-K455 HydrophobicContact CB-CB 3.47Å; L353-K455 VanDerWaalsContact CB-CB 3.47Å; L353-K455 HydrophobicContact CB-CD 4.5Å; L353-K455 HydrophobicContact CB-CG 3.17Å; L353-K455 HydrophobicContact CD1-CG 4.5Å; L353-K455 HydrophobicContact CG-CG 4.41Å; L353-K455 WeakPolarHBondContact O-CG 3.17Å; L353-K455 PolarHBondContact O-NZ 3.22Å; T354-K455 WeakPolarHBondContact CG2-O 3.48Å; T354-K455 VanDerWaalsContact N-CB 3.29Å; T354-K455 WeakPolarHBondContact OG1-CA 3.5Å; T354-K455 WeakPolarHBondContact OG1-CB 3.27Å; T354-K455 PolarHBondContact OG1-N 2.95Å; T354-K455 PolarHBondContact OG1-O 2.77Å
456	N	32.1	Very low	29	Very low	84 Å²	84	124.2 Å²	124.2	45%	0.449	68%	0.684	S	S	.	*			cis	-155.5	165.1	-31.9	-132	-12.1	0	0	0	103.2
457	L	30.9	Very low	29.4	Very low	137 Å²	137	122.2 Å²	122.2	72%	0.717	68%	0.676	S	S	*	*			cis	-166.9	161.4	46.5	-167.6	63.3	0	0	0	109.5
458	K	32.4	Very low	29.4	Very low	156 Å²	156	122.1 Å²	122.1	68%	0.678	68%	0.679	S	S	*	*			trans	-68.3	158.9	175.4	-43.1	145.9	-176.1	172.3	0	112.5
459	N	30.9	Very low	29.6	Very low	141 Å²	141	121 Å²	121	75%	0.754	68%	0.681	S	S	*	*				175.7	125.6	120.7	-88.3	-5.9	0	0	0	109.7
460	S	29.4	Very low	29.9	Very low	98 Å²	98	122.4 Å²	122.4	69%	0.685	69%	0.688	S	S	*	*				71	142.2	96.3	90.7	0	0	0	0	113.6
461	T	30.2	Very low	30.1	Very low	118 Å²	118	125.3 Å²	125.3	72%	0.724	69%	0.691	S	S	*	*			cis	-166.4	-177.6	7.9	-5.6	0	0	0	0	110.4
462	S	28.5	Very low	30.2	Very low	94 Å²	94	128.6 Å²	128.6	66%	0.657	69%	0.693	S	S	*	*			trans	52.3	105.9	150.1	54.6	0	0	0	0	119.8
463	T	26.7	Very low	30.3	Very low	130 Å²	130	129.2 Å²	129.2	80%	0.798	70%	0.696	S	S	*	*				75.2	138.9	69.6	65.9	0	0	0	0	118
464	K	28.3	Very low	30.3	Very low	189 Å²	189	134.2 Å²	134.2	82%	0.822	72%	0.716	S	S	*	*			trans	88.4	116.2	154.9	-72	179.5	176.8	178.4	0	121.6
465	S	25.9	Very low	30.4	Very low	100 Å²	100	136.1 Å²	136.1	70%	0.699	73%	0.73	S	S	*	*				83.6	169.9	124.1	76.5	0	0	0	0	121.1
466	L	31.1	Very low	30.2	Very low	158 Å²	158	135.9 Å²	135.9	83%	0.827	74%	0.74	S	S	*	*			trans	75.7	145.9	175	-58.6	147.2	0	0	0	115.9
467	S	32	Very low	30.2	Very low	99 Å²	99	141.7 Å²	141.7	69%	0.692	76%	0.757	S	S	*	*			cis	-172.7	149.1	-40.9	42.3	0	0	0	0	109.1
468	S	26.6	Very low	30.2	Very low	104 Å²	104	140.6 Å²	140.6	73%	0.727	75%	0.752	S	S	*	*			trans	-48.7	140.6	172.4	52	0	0	0	0	116
469	N	31.6	Very low	30.2	Very low	154 Å²	154	141 Å²	141	82%	0.824	76%	0.756	S	S	*	*			trans	-168.7	165.1	140.6	-102.3	-35.1	0	0	0	112.5
470	Q	33.9	Very low	30.2	Very low	185 Å²	185	139.9 Å²	139.9	86%	0.864	75%	0.754	S	S	*	*			trans	60	96.7	-179.7	-54.9	175.7	-0.7	0	0	114.2
471	Q	29.3	Very low	30.3	Very low	153 Å²	153	144.9 Å²	144.9	72%	0.715	76%	0.763	S	S	*	*			cis	70.7	114.4	14.3	-113.1	-162.6	51.5	0	0	118
472	K	29.7	Very low	30.6	Very low	174 Å²	174	146.5 Å²	146.5	76%	0.757	77%	0.767	S	S	*	*			trans	67.3	106.9	156.8	-62.9	171.4	-178.9	167.8	0	119.2
473	L	30.7	Very low	31	Very low	164 Å²	164	146.5 Å²	146.5	86%	0.859	77%	0.765	S	S	*	*			trans	155.2	132.1	146.3	-87.1	157.3	0	0	0	107
474	M	31.6	Very low	31.4	Very low	178 Å²	178	146.3 Å²	146.3	88%	0.877	76%	0.759	S	S	*	*			cis	-121.6	166.1	4.9	-71.5	166.5	58.8	0	0	112.4
475	N	32.6	Very low	31.7	Very low	151 Å²	151	144.1 Å²	144.1	81%	0.807	76%	0.756	S	S	*	*			trans	-94.2	162.8	-166.4	-56.8	-38.5	0	0	0	115.1
476	S	30.8	Very low	32	Very low	86 Å²	86	141.9 Å²	141.9	60%	0.601	74%	0.736	S	S	*	*			trans	62.9	119.7	147.9	-160.5	0	0	0	0	117.5
477	Y	30.4	Very low	32.3	Very low	206 Å²	206	140.1 Å²	140.1	81%	0.808	73%	0.734	S	S	*	*				-152.6	130	62.8	-98.3	-106.2	0	0	0	108.6
478	N	32.1	Very low	32.9	Very low	115 Å²	115	138 Å²	138	62%	0.615	72%	0.715	S	S	*	*				55.5	126.8	94.6	-61.4	-36.3	0	0	0	114
479	H	32.9	Very low	34	Very low	164 Å²	164	142.5 Å²	142.5	76%	0.759	72%	0.724	S	S	*	*			cis	-169.5	155.5	4.8	-145.7	-76.8	0	0	0	108.7
480	V	30.5	Very low	35.2	Very low	118 Å²	118	136.5 Å²	136.5	72%	0.715	69%	0.691	S	S	*	*			trans	68.7	129.5	167.7	-174.1	0	0	0	0	115.1
481	K	32	Very low	36.6	Very low	203 Å²	203	129.6 Å²	129.6	88%	0.883	67%	0.67	S	S	*	*			cis	-149.8	160.4	0.6	-122.5	164.7	-169	-179.3	0	110.8
482	D	36.5	Very low	38.1	Very low	151 Å²	151	127.8 Å²	127.8	81%	0.807	67%	0.672	S	S	*	*			trans	-94.1	-178.5	178.6	-101.3	-34.7	0	0	0	112.1
483	P	36.9	Very low	39.5	Very low	94 Å²	94	126.5 Å²	126.5	61%	0.61	67%	0.668	S	S	*	*			cis	-151.6	-163.5	-31.4	41.9	-22	0	0	0	116.4
484	L	34.3	Very low	41	Very low	127 Å²	127	122.6 Å²	122.6	67%	0.665	65%	0.648	S	S	*	*			trans	90.2	117.9	140.1	-82	174.1	0	0	0	123.9
485	N	34.2	Very low	42.8	Very low	142 Å²	142	115.9 Å²	115.9	76%	0.759	62%	0.62	S	S	*	*			trans	21.8	124.8	136.6	-73.6	-31.5	0	0	0	121.3
486	L	33.1	Very low	44.7	Very low	53 Å²	53	111.3 Å²	111.3	28%	0.277	60%	0.604	S	S	.	*			trans	-138.9	139.8	170.5	-79.4	172.2	0	0	0	113.5	I488 L490 V498 T509 A510 V513	L486-I488 PolarHBondContact O-N 3.26Å; L486-I488 VanDerWaalsContact O-N 3.14Å; L486-L490 HydrophobicContact CD1-CD1 4.29Å; L486-V498 HydrophobicContact CD1-CG1 4.14Å; L486-T509 WeakPolarHBondContact CD2-O 3.48Å; L486-A510 HydrophobicContact CD2-CB 4.45Å; L486-V513 HydrophobicContact CB-CG2 4.38Å; L486-V513 HydrophobicContact CD1-CG2 3.55Å; L486-V513 HydrophobicContact CD2-CB 3.74Å; L486-V513 HydrophobicContact CD2-CG1 4.32Å; L486-V513 HydrophobicContact CD2-CG2 3.54Å; L486-V513 HydrophobicContact CG-CG2 4Å
487	P	37.7	Very low	46.7	Very low	122 Å²	122	109.6 Å²	109.6	79%	0.792	60%	0.595	S	S	*	*	S	Bend	trans	-74.8	2.4	-175.1	-18	32.9	0	0	0	116.4
488	I	44.4	Very low	48.8	Very low	55 Å²	55	100 Å²	100	28%	0.282	56%	0.558	S	S	.	*	S	Bend	trans	-128.3	129.3	-179.8	-63.4	-174.2	0	0	0	108.7	L486 L490 V513 A517	L486-I488 PolarHBondContact O-N 3.26Å; L486-I488 VanDerWaalsContact O-N 3.14Å; I488-L490 VanDerWaalsContact C-N 3.27Å; I488-L490 HydrophobicContact CB-CD2 4.32Å; I488-L490 HydrophobicContact CG2-CD2 3.82Å; I488-L490 PolarHBondContact O-N 3.14Å; I488-V513 HydrophobicContact CB-CG1 3.86Å; I488-V513 HydrophobicContact CD1-CG1 3.95Å; I488-V513 HydrophobicContact CG1-CG1 3.87Å; I488-A517 HydrophobicContact CD1-CB 3.67Å
489	Q	48.1	Very low	50.9	Low	198 Å²	198	98 Å²	98	93%	0.925	55%	0.55	S	S	*	.			trans	-76.3	80.8	174.7	-164.4	167.5	43	0	0	109.8
490	L	57.7	Low	53	Low	27 Å²	27	95.7 Å²	95.7	14%	0.141	54%	0.539	C	S	.	.			trans	-63.4	137.4	172.8	-51.8	173.6	0	0	0	109.3	L486 I488 L494 A495 V498 V513	L486-L490 HydrophobicContact CD1-CD1 4.29Å; I488-L490 VanDerWaalsContact C-N 3.27Å; I488-L490 HydrophobicContact CB-CD2 4.32Å; I488-L490 HydrophobicContact CG2-CD2 3.82Å; I488-L490 PolarHBondContact O-N 3.14Å; L490-L494 HydrophobicContact CB-CB 4.24Å; L490-L494 HydrophobicContact CB-CD2 4.41Å; L490-L494 HydrophobicContact CB-CG 4.29Å; L490-L494 HydrophobicContact CD2-CD2 3.71Å; L490-L494 HydrophobicContact CD2-CG 4Å; L490-A495 HydrophobicContact CB-CB 4.04Å; L490-A495 HydrophobicContact CD1-CB 4.45Å; L490-V498 HydrophobicContact CD1-CB 3.89Å; L490-V498 HydrophobicContact CD1-CG1 4.12Å; L490-V498 HydrophobicContact CD1-CG2 3.72Å; L490-V513 HydrophobicContact CD1-CG2 3.9Å
491	G	63.5	Low	55.1	Low	41 Å²	41	91.4 Å²	91.4	42%	0.423	52%	0.516	S	S	.	.			trans	-63.9	155.6	167.9	0	0	0	0	0	110.7	H493 L494 A495	G491-H493 VanDerWaalsContact C-N 3.32Å; G491-H493 PolarHBondContact O-N 3.5Å; G491-H493 VanDerWaalsContact O-N 3.13Å; G491-L494 CarbonylContact O-C 3.46Å; G491-L494 WeakPolarHBondContact O-CA 3.35Å; G491-L494 PolarHBondContact O-N 2.8Å; G491-A495 PolarHBondContact O-N 3.3Å
492	P	61.2	Low	57.3	Low	115 Å²	115	82.7 Å²	82.7	75%	0.747	48%	0.48	S	S	*	.	H	α-helix	trans	-54.7	-40.2	-167.3	17.5	-31.1	0	0	0	114.5	A495 A496	P492-A495 PolarHBondContact O-N 2.8Å; P492-A496 WeakPolarHBondContact O-CB 3.29Å; P492-A496 PolarHBondContact O-N 3.44Å
493	H	57.5	Low	59.2	Low	146 Å²	146	81.9 Å²	81.9	68%	0.676	48%	0.476	S	S	*	.	H	α-helix	trans	-63.2	-39.3	173.5	-73.5	-65.8	0	0	0	113.6	S417 G491 A497	S417-H493 PolarHBondContact OG-NE2 3.43Å; G491-H493 VanDerWaalsContact C-N 3.32Å; G491-H493 PolarHBondContact O-N 3.5Å; G491-H493 VanDerWaalsContact O-N 3.13Å; H493-A497 WeakPolarHBondContact O-CB 3.47Å; H493-A497 PolarHBondContact O-N 3.38Å
494	L	62.1	Low	61.1	Low	82 Å²	82	84 Å²	84	43%	0.429	48%	0.478	S	S	.	.	H	α-helix	trans	-76.8	-30.6	179.4	-173.1	64.2	0	0	0	111.7	L490 G491 V498 L516	L490-L494 HydrophobicContact CB-CB 4.24Å; L490-L494 HydrophobicContact CB-CD2 4.41Å; L490-L494 HydrophobicContact CB-CG 4.29Å; L490-L494 HydrophobicContact CD2-CD2 3.71Å; L490-L494 HydrophobicContact CD2-CG 4Å; G491-L494 CarbonylContact O-C 3.46Å; G491-L494 WeakPolarHBondContact O-CA 3.35Å; G491-L494 PolarHBondContact O-N 2.8Å; L494-V498 WeakPolarHBondContact O-CB 3.34Å; L494-V498 VanDerWaalsContact O-CG2 3.31Å; L494-V498 WeakPolarHBondContact O-CG2 3.39Å; L494-V498 PolarHBondContact O-N 3.07Å; L494-L516 HydrophobicContact CD1-CD1 4.4Å
495	A	69.9	Low	62.9	Low	37 Å²	37	81.8 Å²	81.8	31%	0.306	47%	0.47	S	S	.	.	H	α-helix	trans	-64.3	-48.1	169.9	0	0	0	0	0	111	L490 G491 P492 A497 V498 V499	L490-A495 HydrophobicContact CB-CB 4.04Å; L490-A495 HydrophobicContact CD1-CB 4.45Å; G491-A495 PolarHBondContact O-N 3.3Å; P492-A495 PolarHBondContact O-N 2.8Å; A495-A497 PolarHBondContact O-N 2.72Å; A495-V498 PolarHBondContact O-N 2.72Å; A495-V499 WeakPolarHBondContact O-CG2 3.46Å; A495-V499 PolarHBondContact O-N 3.06Å
496	A	73.1	Confident	64.9	Low	55 Å²	55	78.4 Å²	78.4	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-59.5	-45.6	175.3	0	0	0	0	0	112	P492 V498 V499 Q500	P492-A496 WeakPolarHBondContact O-CB 3.29Å; P492-A496 PolarHBondContact O-N 3.44Å; A496-V498 VanDerWaalsContact C-N 3.32Å; A496-V498 PolarHBondContact O-N 3.17Å; A496-V499 PolarHBondContact O-N 2.76Å; A496-Q500 WeakPolarHBondContact O-CB 3.19Å; A496-Q500 PolarHBondContact O-N 2.93Å
497	A	72	Confident	66.8	Low	51 Å²	51	78.8 Å²	78.8	42%	0.421	47%	0.473	S	S	.	.	H	α-helix	trans	-63.2	-34.1	176.8	0	0	0	0	0	113.4	H493 A495 A501	H493-A497 WeakPolarHBondContact O-CB 3.47Å; H493-A497 PolarHBondContact O-N 3.38Å; A495-A497 PolarHBondContact O-N 2.72Å; A497-A501 WeakPolarHBondContact O-CB 3.31Å; A497-A501 PolarHBondContact O-N 3.37Å
498	V	74.8	Confident	68.8	Low	5 Å²	5	76.3 Å²	76.3	3%	0.03	46%	0.456	C	S	.	.	H	α-helix	trans	-71.8	-38.3	175.2	161.6	0	0	0	0	112.3	L486 L490 L494 A495 A496 S502 L512 V513 L516	L486-V498 HydrophobicContact CD1-CG1 4.14Å; L490-V498 HydrophobicContact CD1-CB 3.89Å; L490-V498 HydrophobicContact CD1-CG1 4.12Å; L490-V498 HydrophobicContact CD1-CG2 3.72Å; L494-V498 WeakPolarHBondContact O-CB 3.34Å; L494-V498 VanDerWaalsContact O-CG2 3.31Å; L494-V498 WeakPolarHBondContact O-CG2 3.39Å; L494-V498 PolarHBondContact O-N 3.07Å; A495-V498 PolarHBondContact O-N 2.72Å; A496-V498 VanDerWaalsContact C-N 3.32Å; A496-V498 PolarHBondContact O-N 3.17Å; V498-S502 WeakPolarHBondContact O-CB 3.42Å; V498-S502 PolarHBondContact O-N 3.01Å; V498-L512 HydrophobicContact CG1-CB 4.36Å; V498-V513 HydrophobicContact CG1-CG2 3.81Å; V498-V513 HydrophobicContact CG2-CG2 4.45Å; V498-L516 HydrophobicContact CG2-CD1 3.31Å
499	V	76.3	Confident	70.1	Confident	73 Å²	73	75.3 Å²	75.3	44%	0.442	45%	0.453	S	S	.	.	H	α-helix	trans	-67.3	-49.1	174.8	174	0	0	0	0	110.1	A495 A496 A501 S502 D503	A495-V499 WeakPolarHBondContact O-CG2 3.46Å; A495-V499 PolarHBondContact O-N 3.06Å; A496-V499 PolarHBondContact O-N 2.76Å; V499-A501 VanDerWaalsContact C-N 3.33Å; V499-A501 PolarHBondContact O-N 2.89Å; V499-S502 WeakPolarHBondContact O-CA 3.42Å; V499-S502 VanDerWaalsContact O-CB 3.31Å; V499-S502 WeakPolarHBondContact O-CB 3.21Å; V499-S502 PolarHBondContact O-N 3.4Å; V499-D503 PolarHBondContact O-N 3.24Å
500	Q	76.9	Confident	71.4	Confident	115 Å²	115	68.3 Å²	68.3	54%	0.537	43%	0.428	S	S	.	.	H	α-helix	trans	-57.2	-44.9	175.9	-178.8	178.5	-13.1	0	0	111.8	A496 S502 D503 E504	A496-Q500 WeakPolarHBondContact O-CB 3.19Å; A496-Q500 PolarHBondContact O-N 2.93Å; Q500-S502 VanDerWaalsContact C-N 3.27Å; Q500-S502 PolarHBondContact O-N 3.37Å; Q500-D503 PolarHBondContact O-N 3Å; Q500-E504 HydrophobicContact CG-CG 4.4Å; Q500-E504 VanDerWaalsContact CG-OE1 3.29Å; Q500-E504 WeakPolarHBondContact CG-OE1 3.24Å; Q500-E504 PolarHBondContact NE2-OE1 2.9Å; Q500-E504 WeakPolarHBondContact O-CB 3.27Å; Q500-E504 WeakPolarHBondContact O-CG 3.41Å; Q500-E504 PolarHBondContact O-N 2.89Å
501	A	74.1	Confident	72.2	Confident	27 Å²	27	71.1 Å²	71.1	22%	0.223	44%	0.443	C	S	.	.	H	α-helix	trans	-62.6	-33.4	174.6	0	0	0	0	0	112.6	A497 V499 E504 T505 L512	A497-A501 WeakPolarHBondContact O-CB 3.31Å; A497-A501 PolarHBondContact O-N 3.37Å; V499-A501 VanDerWaalsContact C-N 3.33Å; V499-A501 PolarHBondContact O-N 2.89Å; A501-E504 PolarHBondContact O-N 3.38Å; A501-T505 WeakPolarHBondContact O-CB 3.32Å; A501-T505 WeakPolarHBondContact O-CG2 3.45Å; A501-T505 PolarHBondContact O-N 3.24Å; A501-T505 PolarHBondContact O-OG1 3.28Å; A501-L512 HydrophobicContact CB-CD1 3.95Å; A501-L512 HydrophobicContact CB-CD2 4.46Å
502	S	78.2	Confident	72.6	Confident	20 Å²	20	71 Å²	71	14%	0.14	43%	0.433	C	S	.	.	H	α-helix	trans	-68	-41.4	176.9	-162.3	0	0	0	0	111.9	V498 V499 Q500 G506 T507 T509 L512	V498-S502 WeakPolarHBondContact O-CB 3.42Å; V498-S502 PolarHBondContact O-N 3.01Å; V499-S502 WeakPolarHBondContact O-CA 3.42Å; V499-S502 VanDerWaalsContact O-CB 3.31Å; V499-S502 WeakPolarHBondContact O-CB 3.21Å; V499-S502 PolarHBondContact O-N 3.4Å; Q500-S502 VanDerWaalsContact C-N 3.27Å; Q500-S502 PolarHBondContact O-N 3.37Å; S502-G506 WeakPolarHBondContact O-CA 3.37Å; S502-G506 PolarHBondContact O-N 3.44Å; S502-T507 WeakPolarHBondContact CA-O 3.38Å; S502-T507 PolarHBondContact OG-O 3.18Å; S502-T509 PolarHBondContact OG-N 3.48Å; S502-T509 VanDerWaalsContact OG-N 3.09Å; S502-L512 VanDerWaalsContact N-CD1 3.27Å
503	D	78	Confident	73.2	Confident	135 Å²	135	65.7 Å²	65.7	72%	0.722	40%	0.399	S	S	*	.	H	α-helix	trans	-67.5	-37	173.9	-68.2	-36.9	0	0	0	111.9	V499 Q500	V499-D503 PolarHBondContact O-N 3.24Å; Q500-D503 PolarHBondContact O-N 3Å
504	E	75.4	Confident	73.8	Confident	138 Å²	138	61.3 Å²	61.3	65%	0.645	39%	0.388	S	S	*	.	H	α-helix	trans	-76.6	-36.5	179.9	-75.2	176.1	-170.1	0	0	114	Q500 A501	Q500-E504 HydrophobicContact CG-CG 4.4Å; Q500-E504 VanDerWaalsContact CG-OE1 3.29Å; Q500-E504 WeakPolarHBondContact CG-OE1 3.24Å; Q500-E504 PolarHBondContact NE2-OE1 2.9Å; Q500-E504 WeakPolarHBondContact O-CB 3.27Å; Q500-E504 WeakPolarHBondContact O-CG 3.41Å; Q500-E504 PolarHBondContact O-N 2.89Å; A501-E504 PolarHBondContact O-N 3.38Å
505	T	71.8	Confident	74	Confident	81 Å²	81	59 Å²	59	50%	0.497	38%	0.384	S	S	.	.	H	α-helix	trans	-102.7	-9.8	-175.9	71.9	0	0	0	0	114.5	A501 T507	A501-T505 WeakPolarHBondContact O-CB 3.32Å; A501-T505 WeakPolarHBondContact O-CG2 3.45Å; A501-T505 PolarHBondContact O-N 3.24Å; A501-T505 PolarHBondContact O-OG1 3.28Å; T505-T507 WeakPolarHBondContact CB-OG1 3.45Å; T505-T507 PolarHBondContact O-N 2.77Å; T505-T507 PolarHBondContact O-OG1 3.41Å; T505-T507 WeakPolarHBondContact OG1-CB 3.45Å; T505-T507 PolarHBondContact OG1-N 3.33Å; T505-T507 PolarHBondContact OG1-OG1 3.03Å
506	G	76.9	Confident	73.5	Confident	71 Å²	71	60.6 Å²	60.6	73%	0.732	39%	0.386	S	S	*	.			trans	63.1	6.5	-173	0	0	0	0	0	114.4	S502	S502-G506 WeakPolarHBondContact O-CA 3.37Å; S502-G506 PolarHBondContact O-N 3.44Å
507	T	73.5	Confident	72.3	Confident	60 Å²	60	59.6 Å²	59.6	37%	0.368	38%	0.379	S	S	.	.			trans	-82.8	141.1	174.2	-28.3	0	0	0	0	108.1	S502 T505 D511	S502-T507 WeakPolarHBondContact CA-O 3.38Å; S502-T507 PolarHBondContact OG-O 3.18Å; T505-T507 WeakPolarHBondContact CB-OG1 3.45Å; T505-T507 PolarHBondContact O-N 2.77Å; T505-T507 PolarHBondContact O-OG1 3.41Å; T505-T507 WeakPolarHBondContact OG1-CB 3.45Å; T505-T507 PolarHBondContact OG1-N 3.33Å; T505-T507 PolarHBondContact OG1-OG1 3.03Å; T507-D511 HydrophobicContact CG2-CB 3.68Å
508	T	79.7	Confident	71.2	Confident	70 Å²	70	61 Å²	61	43%	0.429	38%	0.376	S	S	.	.			trans	-64.5	151.8	-173.8	76	0	0	0	0	111.1	A510 D511 L512	T508-A510 PolarHBondContact O-N 2.91Å; T508-A510 PolarHBondContact OG1-N 3.49Å; T508-D511 WeakPolarHBondContact CB-OD2 3.44Å; T508-D511 WeakPolarHBondContact CG2-OD2 3.4Å; T508-D511 PolarHBondContact N-OD2 2.84Å; T508-D511 PolarHBondContact O-N 3.26Å; T508-D511 PolarHBondContact OG1-N 3.11Å; T508-D511 PolarHBondContact OG1-OD2 3.31Å; T508-L512 PolarHBondContact O-N 3.01Å
509	T	72.2	Confident	69.8	Low	35 Å²	35	66.7 Å²	66.7	22%	0.215	41%	0.411	C	S	.	.	H	α-helix	trans	-52.1	-39.5	171.4	48.7	0	0	0	0	110.7	L486 S502 L512 V513	L486-T509 WeakPolarHBondContact CD2-O 3.48Å; S502-T509 PolarHBondContact OG-N 3.48Å; S502-T509 VanDerWaalsContact OG-N 3.09Å; T509-L512 PolarHBondContact O-N 3.41Å; T509-V513 WeakPolarHBondContact O-CG2 3Å; T509-V513 PolarHBondContact O-N 3.18Å
510	A	74.1	Confident	68.1	Low	50 Å²	50	73.4 Å²	73.4	41%	0.413	43%	0.428	S	S	.	.	H	α-helix	trans	-61.1	-42.2	175.9	0	0	0	0	0	112.7	L486 T508 A514	L486-A510 HydrophobicContact CD2-CB 4.45Å; T508-A510 PolarHBondContact O-N 2.91Å; T508-A510 PolarHBondContact OG1-N 3.49Å; A510-A514 VanDerWaalsContact O-CB 3.27Å; A510-A514 WeakPolarHBondContact O-CB 2.77Å; A510-A514 PolarHBondContact O-N 3.34Å
511	D	73.9	Confident	66.1	Low	86 Å²	86	77.9 Å²	77.9	46%	0.46	44%	0.44	S	S	.	.	H	α-helix	trans	-69.4	-37.9	176	-63	-52.9	0	0	0	112.3	T507 T508 A514 G515	T507-D511 HydrophobicContact CG2-CB 3.68Å; T508-D511 WeakPolarHBondContact CB-OD2 3.44Å; T508-D511 WeakPolarHBondContact CG2-OD2 3.4Å; T508-D511 PolarHBondContact N-OD2 2.84Å; T508-D511 PolarHBondContact O-N 3.26Å; T508-D511 PolarHBondContact OG1-N 3.11Å; T508-D511 PolarHBondContact OG1-OD2 3.31Å; D511-A514 CarbonylContact O-C 3.58Å; D511-A514 WeakPolarHBondContact O-CB 2.88Å; D511-A514 PolarHBondContact O-N 3.46Å; D511-G515 PolarHBondContact O-N 3.18Å
512	L	73.7	Confident	64.1	Low	40 Å²	40	84.9 Å²	84.9	21%	0.209	46%	0.461	C	S	.	.	H	α-helix	trans	-69.1	-36.5	176.7	-74.6	164.6	0	0	0	111.9	V498 A501 S502 T508 T509 G515 L516	V498-L512 HydrophobicContact CG1-CB 4.36Å; A501-L512 HydrophobicContact CB-CD1 3.95Å; A501-L512 HydrophobicContact CB-CD2 4.46Å; S502-L512 VanDerWaalsContact N-CD1 3.27Å; T508-L512 PolarHBondContact O-N 3.01Å; T509-L512 PolarHBondContact O-N 3.41Å; L512-G515 PolarHBondContact O-N 3.15Å; L512-L516 WeakPolarHBondContact O-CG 3.12Å; L512-L516 PolarHBondContact O-N 2.88Å
513	V	73.3	Confident	62.2	Low	3 Å²	3	88.3 Å²	88.3	2%	0.018	48%	0.483	C	S	.	.	H	α-helix	trans	-74.1	-33.3	170.4	174.6	0	0	0	0	112.2	L486 I488 L490 V498 T509 G515 L516 A517	L486-V513 HydrophobicContact CB-CG2 4.38Å; L486-V513 HydrophobicContact CD1-CG2 3.55Å; L486-V513 HydrophobicContact CD2-CB 3.74Å; L486-V513 HydrophobicContact CD2-CG1 4.32Å; L486-V513 HydrophobicContact CD2-CG2 3.54Å; L486-V513 HydrophobicContact CG-CG2 4Å; I488-V513 HydrophobicContact CB-CG1 3.86Å; I488-V513 HydrophobicContact CD1-CG1 3.95Å; I488-V513 HydrophobicContact CG1-CG1 3.87Å; L490-V513 HydrophobicContact CD1-CG2 3.9Å; V498-V513 HydrophobicContact CG1-CG2 3.81Å; V498-V513 HydrophobicContact CG2-CG2 4.45Å; T509-V513 WeakPolarHBondContact O-CG2 3Å; T509-V513 PolarHBondContact O-N 3.18Å; V513-G515 VanDerWaalsContact C-N 3.28Å; V513-G515 PolarHBondContact O-N 3.42Å; V513-L516 PolarHBondContact O-N 3.43Å; V513-A517 WeakPolarHBondContact O-CB 3.23Å; V513-A517 PolarHBondContact O-N 2.91Å
514	A	70.5	Confident	60.7	Low	54 Å²	54	84.7 Å²	84.7	45%	0.446	46%	0.463	S	S	.	.	H	α-helix	trans	-61.5	-40.4	168.6	0	0	0	0	0	110.4	A510 D511 A517 E518	A510-A514 VanDerWaalsContact O-CB 3.27Å; A510-A514 WeakPolarHBondContact O-CB 2.77Å; A510-A514 PolarHBondContact O-N 3.34Å; D511-A514 CarbonylContact O-C 3.58Å; D511-A514 WeakPolarHBondContact O-CB 2.88Å; D511-A514 PolarHBondContact O-N 3.46Å; A514-A517 WeakPolarHBondContact O-CB 3.3Å; A514-A517 PolarHBondContact O-N 3.12Å; A514-E518 WeakPolarHBondContact O-CB 3.29Å; A514-E518 PolarHBondContact O-N 3.31Å
515	G	65.1	Low	59.2	Low	34 Å²	34	83 Å²	83	35%	0.351	46%	0.459	S	S	.	.	H	α-helix	trans	-59.8	-49.4	171.3	0	0	0	0	0	112.7	D511 L512 V513 A517 E518 V519	D511-G515 PolarHBondContact O-N 3.18Å; L512-G515 PolarHBondContact O-N 3.15Å; V513-G515 VanDerWaalsContact C-N 3.28Å; V513-G515 PolarHBondContact O-N 3.42Å; G515-A517 VanDerWaalsContact C-N 3.3Å; G515-A517 PolarHBondContact O-N 2.97Å; G515-E518 PolarHBondContact O-N 3.42Å; G515-V519 WeakPolarHBondContact O-CB 3.48Å; G515-V519 VanDerWaalsContact O-CG2 3.27Å; G515-V519 WeakPolarHBondContact O-CG2 3.1Å; G515-V519 PolarHBondContact O-N 2.87Å
516	L	60.9	Low	57.9	Low	69 Å²	69	81 Å²	81	36%	0.361	45%	0.45	S	S	.	.	H	α-helix	trans	-67.1	-27.9	176	-71.5	168.4	0	0	0	113.3	L494 V498 L512 V513 R520	L494-L516 HydrophobicContact CD1-CD1 4.4Å; V498-L516 HydrophobicContact CG2-CD1 3.31Å; L512-L516 WeakPolarHBondContact O-CG 3.12Å; L512-L516 PolarHBondContact O-N 2.88Å; V513-L516 PolarHBondContact O-N 3.43Å; L516-R520 PolarHBondContact O-N 2.62Å
517	A	47.9	Very low	56.4	Low	35 Å²	35	86.8 Å²	86.8	29%	0.289	45%	0.45	S	S	.	.	H	α-helix	trans	-72.4	-41	171.6	0	0	0	0	0	111.5	I488 V513 A514 G515 R520 R521	I488-A517 HydrophobicContact CD1-CB 3.67Å; V513-A517 WeakPolarHBondContact O-CB 3.23Å; V513-A517 PolarHBondContact O-N 2.91Å; A514-A517 WeakPolarHBondContact O-CB 3.3Å; A514-A517 PolarHBondContact O-N 3.12Å; G515-A517 VanDerWaalsContact C-N 3.3Å; G515-A517 PolarHBondContact O-N 2.97Å; A517-R520 CarbonylContact O-C 3.38Å; A517-R520 VanDerWaalsContact O-CA 3.32Å; A517-R520 WeakPolarHBondContact O-CA 3.38Å; A517-R520 VanDerWaalsContact O-CB 3.24Å; A517-R520 WeakPolarHBondContact O-CB 3.49Å; A517-R520 PolarHBondContact O-N 2.84Å; A517-R521 WeakPolarHBondContact O-CB 3.05Å; A517-R521 PolarHBondContact O-N 2.96Å
518	E	47.5	Very low	55.4	Low	79 Å²	79	86.9 Å²	86.9	37%	0.369	45%	0.448	S	S	.	.	H	α-helix	trans	-72.5	-37.5	-179.4	-175.4	67.9	175.7	0	0	111.8	A514 G515 R520 R521 R522	A514-E518 WeakPolarHBondContact O-CB 3.29Å; A514-E518 PolarHBondContact O-N 3.31Å; G515-E518 PolarHBondContact O-N 3.42Å; E518-R520 PolarHBondContact O-N 3.13Å; E518-R521 PolarHBondContact O-N 2.81Å; E518-R522 HydrophobicContact CG-CG 4.45Å; E518-R522 PolarHBondContact O-N 2.62Å; E518-R522 IonicContact OE1-CZ 3.15Å; E518-R522 IonicContact OE1-NE 2.72Å; E518-R522 PolarHBondContact OE1-NE 2.91Å; E518-R522 IonicContact OE1-NH2 2.72Å; E518-R522 PolarHBondContact OE1-NH2 3.06Å
519	V	45	Very low	53.8	Low	126 Å²	126	92.4 Å²	92.4	76%	0.764	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.8	165.7	167.2	0	0	0	0	111.4	G515	G515-V519 WeakPolarHBondContact O-CB 3.48Å; G515-V519 VanDerWaalsContact O-CG2 3.27Å; G515-V519 WeakPolarHBondContact O-CG2 3.1Å; G515-V519 PolarHBondContact O-N 2.87Å
520	R	42	Very low	52.6	Low	213 Å²	213	94.9 Å²	94.9	80%	0.804	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	5	174.1	-145.5	173.5	-169	152.9	3.5	113.9	L516 A517 E518	L516-R520 PolarHBondContact O-N 2.62Å; A517-R520 CarbonylContact O-C 3.38Å; A517-R520 VanDerWaalsContact O-CA 3.32Å; A517-R520 WeakPolarHBondContact O-CA 3.38Å; A517-R520 VanDerWaalsContact O-CB 3.24Å; A517-R520 WeakPolarHBondContact O-CB 3.49Å; A517-R520 PolarHBondContact O-N 2.84Å; E518-R520 PolarHBondContact O-N 3.13Å
521	R	34	Very low	51.4	Low	209 Å²	209	102 Å²	102	79%	0.789	49%	0.489	S	S	*	.	S	Bend	trans	-142.3	18.2	-168.4	-141.4	176.5	-165	157	5.1	117.4	A517 E518 P523	A517-R521 WeakPolarHBondContact O-CB 3.05Å; A517-R521 PolarHBondContact O-N 2.96Å; E518-R521 PolarHBondContact O-N 2.81Å; R521-P523 WeakPolarHBondContact O-CD 3.03Å
522	R	31.9	Very low	50.3	Low	174 Å²	174	107.4 Å²	107.4	66%	0.657	50%	0.503	S	S	*	.			trans	-102	113.8	174.5	-72	-170.1	172.5	-175.9	1.8	113.6	E518	E518-R522 HydrophobicContact CG-CG 4.45Å; E518-R522 PolarHBondContact O-N 2.62Å; E518-R522 IonicContact OE1-CZ 3.15Å; E518-R522 IonicContact OE1-NE 2.72Å; E518-R522 PolarHBondContact OE1-NE 2.91Å; E518-R522 IonicContact OE1-NH2 2.72Å; E518-R522 PolarHBondContact OE1-NH2 3.06Å
523	P	39.7	Very low	49.3	Very low	93 Å²	93	110.9 Å²	110.9	60%	0.604	52%	0.521	S	S	*	.			trans	-68.7	168.9	172.1	-19.6	33.4	0	0	0	113.7	R521 D525 A526	R521-P523 WeakPolarHBondContact O-CD 3.03Å; P523-D525 PolarHBondContact O-N 2.76Å; P523-D525 VanDerWaalsContact O-N 3.12Å; P523-A526 PolarHBondContact O-N 2.89Å
524	I	45.6	Very low	47.7	Very low	58 Å²	58	113.5 Å²	113.5	30%	0.297	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.6	177.7	-162.2	69.3	0	0	0	113.2	A526 R527 E583 E584	I524-A526 PolarHBondContact O-N 3.5Å; I524-A526 VanDerWaalsContact O-N 3.15Å; I524-R527 PolarHBondContact O-N 3.41Å; I524-E583 HydrophobicContact CD1-CB 4.47Å; I524-E584 HydrophobicContact CG2-CG 4.29Å
525	D	45.1	Very low	46.2	Very low	104 Å²	104	117.2 Å²	117.2	56%	0.556	56%	0.561	S	S	*	*	H	α-helix	trans	-53.5	-32.2	177.3	-108.3	-39.6	0	0	0	114.5	P523 R527 N528 R529	P523-D525 PolarHBondContact O-N 2.76Å; P523-D525 VanDerWaalsContact O-N 3.12Å; D525-R527 VanDerWaalsContact C-N 3.32Å; D525-R527 PolarHBondContact O-N 3.37Å; D525-N528 PolarHBondContact O-N 3.31Å; D525-R529 PolarHBondContact O-N 2.74Å
526	A	44.4	Very low	44.7	Very low	39 Å²	39	123.1 Å²	123.1	32%	0.322	58%	0.581	S	S	.	*	H	α-helix	trans	-62.7	-37.5	-177	0	0	0	0	0	112.5	P523 I524 R529 L530	P523-A526 PolarHBondContact O-N 2.89Å; I524-A526 PolarHBondContact O-N 3.5Å; I524-A526 VanDerWaalsContact O-N 3.15Å; A526-R529 PolarHBondContact O-N 3.43Å; A526-L530 PolarHBondContact O-N 3.07Å; A526-L530 VanDerWaalsContact O-N 3.11Å
527	R	45.2	Very low	43.7	Very low	191 Å²	191	128.8 Å²	128.8	72%	0.721	61%	0.605	S	S	*	*	H	α-helix	trans	-70.1	-39.3	175.1	-80.7	-177.7	168	137.9	-2.2	111.9	I524 D525 R529 L530 R531	I524-R527 PolarHBondContact O-N 3.41Å; D525-R527 VanDerWaalsContact C-N 3.32Å; D525-R527 PolarHBondContact O-N 3.37Å; R527-R529 VanDerWaalsContact C-N 3.27Å; R527-R529 PolarHBondContact O-N 3.12Å; R527-L530 PolarHBondContact O-N 2.89Å; R527-R531 PolarHBondContact O-N 2.79Å
528	N	51.2	Low	43	Very low	63 Å²	63	132.7 Å²	132.7	34%	0.337	63%	0.626	S	S	.	*	H	α-helix	trans	-72	-20.9	177.8	-70.4	-24.2	0	0	0	112.9	D525 R532	D525-N528 PolarHBondContact O-N 3.31Å; N528-R532 PolarHBondContact O-N 2.92Å
529	R	46.1	Very low	42.5	Very low	185 Å²	185	135.1 Å²	135.1	70%	0.698	65%	0.648	S	S	*	*	H	α-helix	trans	-76.7	-44	167.4	-121.6	178.4	178.2	-163.5	-1.9	112.5	D525 A526 R527 R531 R532 L533	D525-R529 PolarHBondContact O-N 2.74Å; A526-R529 PolarHBondContact O-N 3.43Å; R527-R529 VanDerWaalsContact C-N 3.27Å; R527-R529 PolarHBondContact O-N 3.12Å; R529-R531 PolarHBondContact O-N 3.01Å; R529-R532 CarbonylContact O-C 3.53Å; R529-R532 WeakPolarHBondContact O-CA 3.4Å; R529-R532 PolarHBondContact O-N 3.45Å; R529-L533 WeakPolarHBondContact O-CG 3.42Å; R529-L533 PolarHBondContact O-N 3.39Å
530	L	47.2	Very low	41.9	Very low	87 Å²	87	135.3 Å²	135.3	46%	0.455	65%	0.645	S	S	.	*	H	α-helix	trans	-64.5	-38.7	177.7	-74.3	169.1	0	0	0	112.7	A526 R527 R532 L533	A526-L530 PolarHBondContact O-N 3.07Å; A526-L530 VanDerWaalsContact O-N 3.11Å; R527-L530 PolarHBondContact O-N 2.89Å; L530-R532 VanDerWaalsContact C-N 3.31Å; L530-R532 PolarHBondContact O-N 3.23Å; L530-L533 PolarHBondContact O-N 3.38Å
531	R	49.7	Very low	41.6	Very low	200 Å²	200	132.9 Å²	132.9	76%	0.755	65%	0.648	S	S	*	*	H	α-helix	trans	-58.1	-41	168.3	-77.1	179.5	173.9	156.2	-6	112.4	R527 R529 L533	R527-R531 PolarHBondContact O-N 2.79Å; R529-R531 PolarHBondContact O-N 3.01Å; R531-L533 VanDerWaalsContact C-N 3.26Å; R531-L533 PolarHBondContact O-N 3.32Å
532	R	50.1	Low	41.4	Very low	199 Å²	199	126.1 Å²	126.1	75%	0.751	64%	0.643	S	S	*	*	H	α-helix	trans	-73.2	-11	177.4	-107	-176	-72.5	-165.8	-2.5	114.9	N528 R529 L530	N528-R532 PolarHBondContact O-N 2.92Å; R529-R532 CarbonylContact O-C 3.53Å; R529-R532 WeakPolarHBondContact O-CA 3.4Å; R529-R532 PolarHBondContact O-N 3.45Å; L530-R532 VanDerWaalsContact C-N 3.31Å; L530-R532 PolarHBondContact O-N 3.23Å
533	L	54.1	Low	41.3	Very low	113 Å²	113	125.5 Å²	125.5	59%	0.592	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	0.3	179.5	-71	168.1	0	0	0	113.3	R529 L530 R531 L535	R529-L533 WeakPolarHBondContact O-CG 3.42Å; R529-L533 PolarHBondContact O-N 3.39Å; L530-L533 PolarHBondContact O-N 3.38Å; R531-L533 VanDerWaalsContact C-N 3.26Å; R531-L533 PolarHBondContact O-N 3.32Å; L533-L535 HydrophobicContact CB-CD1 4.39Å; L533-L535 HydrophobicContact CB-CG 4.4Å; L533-L535 PolarHBondContact O-N 2.74Å
534	G	38	Very low	40.8	Very low	59 Å²	59	129.1 Å²	129.1	61%	0.608	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.9	8.7	175.7	0	0	0	0	0	115.5	M536	G534-M536 VanDerWaalsContact C-N 3.26Å; G534-M536 PolarHBondContact O-N 2.57Å
535	L	39.2	Very low	40	Very low	132 Å²	132	137 Å²	137	69%	0.691	69%	0.687	S	S	*	*			trans	-85.9	17.8	-173.5	-64.8	175.4	0	0	0	114.5	L533	L533-L535 HydrophobicContact CB-CD1 4.39Å; L533-L535 HydrophobicContact CB-CG 4.4Å; L533-L535 PolarHBondContact O-N 2.74Å
536	M	34.8	Very low	39.2	Very low	157 Å²	157	141.4 Å²	141.4	77%	0.773	70%	0.704	S	S	*	*	S	Bend	trans	-141.5	122.7	166.4	-72.9	-173.5	70.2	0	0	108.9	G534	G534-M536 VanDerWaalsContact C-N 3.26Å; G534-M536 PolarHBondContact O-N 2.57Å
537	Q	38.6	Very low	38.4	Very low	189 Å²	189	146.7 Å²	146.7	88%	0.883	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-93	146	174.5	-67.1	176.6	-7.3	0	0	110.4
538	T	32.9	Very low	37.7	Very low	117 Å²	117	145.7 Å²	145.7	72%	0.718	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-96.3	132.2	175.1	43.6	0	0	0	0	110.9
539	P	37.5	Very low	36.7	Very low	129 Å²	129	147.9 Å²	147.9	84%	0.838	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-74	132.3	151.4	-8.1	26.1	0	0	0	108.9
540	D	33.8	Very low	36.2	Very low	131 Å²	131	146.8 Å²	146.8	70%	0.701	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-80.3	166.1	174.7	-74.4	-56.4	0	0	0	112.8
541	N	33.7	Very low	35.7	Very low	162 Å²	162	147.3 Å²	147.3	87%	0.866	76%	0.755	S	S	*	*			trans	82.7	118.3	161.6	-49.5	-65.4	0	0	0	119
542	G	30.1	Very low	35.5	Very low	66 Å²	66	142.6 Å²	142.6	68%	0.68	74%	0.744	S	S	*	*			trans	92.8	127.7	133.6	0	0	0	0	0	117.9
543	N	29.9	Very low	35.2	Very low	162 Å²	162	140.4 Å²	140.4	87%	0.866	74%	0.74	S	S	*	*			trans	53.2	74.5	154.5	-56.6	-2.6	0	0	0	116.9
544	F	29.4	Very low	34.7	Very low	168 Å²	168	139.2 Å²	139.2	74%	0.737	74%	0.738	S	S	*	*			trans	-130	51.6	164.6	-140.3	-85.3	0	0	0	112.8
545	Y	28.6	Very low	35.2	Very low	223 Å²	223	137.1 Å²	137.1	88%	0.875	72%	0.716	S	S	*	*	S	Bend	trans	-127.9	23.4	-179.4	-81.8	-66.8	0	0	0	114
546	E	29.1	Very low	35.6	Very low	197 Å²	197	134 Å²	134	92%	0.921	70%	0.699	S	S	*	*	S	Bend	trans	-140.9	18.3	-178.2	-147	157.5	-144.5	0	0	115.4
547	E	28.3	Very low	36.2	Very low	150 Å²	150	129.7 Å²	129.7	70%	0.701	69%	0.685	S	S	*	*			trans	-138.7	62.8	177.4	-154.4	166.2	-141	0	0	114.1
548	L	29.3	Very low	36.7	Very low	170 Å²	170	121.6 Å²	121.6	89%	0.89	65%	0.648	S	S	*	*			trans	-124.5	70.9	161	-78.1	178	0	0	0	110.3	F550	L548-F550 PolarHBondContact O-N 3.47Å
549	S	30.3	Very low	37.7	Very low	109 Å²	109	116.1 Å²	116.1	76%	0.762	61%	0.614	S	S	*	*			trans	-72.7	67.7	-179.4	43.1	0	0	0	0	113.7	D551	S549-D551 PolarHBondContact O-N 3.21Å
550	F	36	Very low	38.3	Very low	162 Å²	162	115 Å²	115	71%	0.711	60%	0.601	S	S	*	*			trans	58.1	43.6	144.1	-115.5	-87.7	0	0	0	118.8	L548 N552	L548-F550 PolarHBondContact O-N 3.47Å; F550-N552 PolarHBondContact O-N 3.28Å
551	D	35.7	Very low	39.1	Very low	99 Å²	99	116.9 Å²	116.9	53%	0.529	60%	0.598	S	S	.	*			trans	-73.3	100.7	169.6	-162.7	-11.9	0	0	0	111.4	S549 K553 V554	S549-D551 PolarHBondContact O-N 3.21Å; D551-K553 PolarHBondContact O-N 2.86Å; D551-V554 PolarHBondContact O-N 3.16Å
552	N	46.5	Very low	40	Very low	101 Å²	101	109.2 Å²	109.2	54%	0.54	56%	0.557	S	S	.	*	H	α-helix	trans	-52.5	-17.9	-176.6	-82.8	-48.1	0	0	0	114.7	F550 V554 N556	F550-N552 PolarHBondContact O-N 3.28Å; N552-V554 VanDerWaalsContact C-N 3.35Å; N552-N556 PolarHBondContact O-N 3.17Å; N552-N556 PolarHBondContact O-ND2 3.06Å
553	K	44.2	Very low	41.1	Very low	152 Å²	152	108.9 Å²	108.9	66%	0.661	54%	0.544	S	S	*	.	H	α-helix	trans	-65.1	-34.7	174.9	-68.2	170.4	-177	164.1	0	113	D551 S557	D551-K553 PolarHBondContact O-N 2.86Å; K553-S557 WeakPolarHBondContact O-CB 3.37Å; K553-S557 PolarHBondContact O-N 2.73Å; K553-S557 PolarHBondContact O-OG 2.95Å
554	V	43.8	Very low	42	Very low	89 Å²	89	101.6 Å²	101.6	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-73.7	-48.1	-175.5	-176.9	0	0	0	0	110.8	D551 N552 N556 S557 I558	D551-V554 PolarHBondContact O-N 3.16Å; N552-V554 VanDerWaalsContact C-N 3.35Å; V554-N556 PolarHBondContact O-N 3.46Å; V554-S557 WeakPolarHBondContact O-CB 3.39Å; V554-S557 PolarHBondContact O-N 3.11Å; V554-S557 VanDerWaalsContact O-N 3.11Å; V554-I558 HydrophobicContact CG1-CD1 4.16Å; V554-I558 PolarHBondContact O-N 3.05Å
555	G	46.9	Very low	42.8	Very low	14 Å²	14	94.5 Å²	94.5	14%	0.144	48%	0.476	C	S	.	.	H	α-helix	trans	-57.8	-48.3	176.2	0	0	0	0	0	112.2	S557 I558 S559	G555-S557 VanDerWaalsContact C-N 3.31Å; G555-S557 PolarHBondContact O-N 3.46Å; G555-I558 PolarHBondContact O-N 2.97Å; G555-S559 PolarHBondContact O-N 2.73Å; G555-S559 PolarHBondContact O-OG 3.09Å
556	N	47.4	Very low	43.5	Very low	66 Å²	66	85.1 Å²	85.1	35%	0.353	45%	0.445	S	S	.	.	H	α-helix	trans	-58.1	-40.3	174.2	-83.4	-67.2	0	0	0	112.8	N552 V554 I558 N560	N552-N556 PolarHBondContact O-N 3.17Å; N552-N556 PolarHBondContact O-ND2 3.06Å; V554-N556 PolarHBondContact O-N 3.46Å; N556-I558 VanDerWaalsContact C-N 3.33Å; N556-I558 PolarHBondContact O-N 3.44Å; N556-N560 VanDerWaalsContact O-CB 3.26Å; N556-N560 WeakPolarHBondContact O-CB 3.39Å; N556-N560 PolarHBondContact O-N 3.09Å; N556-N560 PolarHBondContact O-ND2 3.49Å
557	S	47.8	Very low	44.4	Very low	67 Å²	67	79.3 Å²	79.3	47%	0.469	43%	0.426	S	S	.	.	H	α-helix	trans	-64.4	-37.2	178.1	-63	0	0	0	0	112.5	K553 V554 G555 R561	K553-S557 WeakPolarHBondContact O-CB 3.37Å; K553-S557 PolarHBondContact O-N 2.73Å; K553-S557 PolarHBondContact O-OG 2.95Å; V554-S557 WeakPolarHBondContact O-CB 3.39Å; V554-S557 PolarHBondContact O-N 3.11Å; V554-S557 VanDerWaalsContact O-N 3.11Å; G555-S557 VanDerWaalsContact C-N 3.31Å; G555-S557 PolarHBondContact O-N 3.46Å; S557-R561 WeakPolarHBondContact O-CG 3.39Å; S557-R561 PolarHBondContact O-N 3.15Å; S557-R561 VanDerWaalsContact O-N 3.15Å
558	I	49.7	Very low	45.6	Very low	20 Å²	20	72.6 Å²	72.6	10%	0.103	40%	0.395	C	S	.	.	H	α-helix	trans	-73.3	-48.6	176.8	-68.1	167.2	0	0	0	111.1	V554 G555 N556 N560 R561 L562 W575 A578 T579 L582	V554-I558 HydrophobicContact CG1-CD1 4.16Å; V554-I558 PolarHBondContact O-N 3.05Å; G555-I558 PolarHBondContact O-N 2.97Å; N556-I558 VanDerWaalsContact C-N 3.33Å; N556-I558 PolarHBondContact O-N 3.44Å; I558-N560 VanDerWaalsContact C-N 3.28Å; I558-N560 PolarHBondContact O-N 3.32Å; I558-R561 PolarHBondContact O-N 2.94Å; I558-L562 HydrophobicContact CG2-CD1 3.88Å; I558-L562 HydrophobicContact CG2-CG 4.42Å; I558-L562 PolarHBondContact O-N 3.49Å; I558-W575 HydrophobicContact CB-CE3 4.04Å; I558-W575 HydrophobicContact CB-CZ3 3.67Å; I558-W575 HydrophobicContact CD1-CE3 3.81Å; I558-W575 HydrophobicContact CD1-CZ3 4.21Å; I558-W575 HydrophobicContact CG2-CE3 3.67Å; I558-W575 HydrophobicContact CG2-CZ3 3.51Å; I558-A578 HydrophobicContact CG2-CB 4.49Å; I558-T579 HydrophobicContact CD1-CG2 3.96Å; I558-L582 HydrophobicContact CB-CD1 4.27Å; I558-L582 HydrophobicContact CG1-CD1 3.98Å; I558-L582 HydrophobicContact CG2-CD1 3.69Å
559	S	53.2	Low	46.8	Very low	1 Å²	1	68.6 Å²	68.6	1%	0.007	37%	0.374	C	S	.	.	H	α-helix	trans	-59.5	-39	178.2	-66.8	0	0	0	0	111.9	G555 L562 S563 L564 I568	G555-S559 PolarHBondContact O-N 2.73Å; G555-S559 PolarHBondContact O-OG 3.09Å; S559-L562 PolarHBondContact O-N 2.9Å; S559-S563 PolarHBondContact O-N 3.11Å; S559-L564 PolarHBondContact O-N 3.3Å; S559-I568 PolarHBondContact OG-O 3.41Å; S559-I568 VanDerWaalsContact OG-O 3.14Å
560	N	51.6	Low	47.9	Very low	106 Å²	106	63.6 Å²	63.6	57%	0.567	34%	0.339	S	S	*	.	H	α-helix	trans	-62.1	-44.9	171.6	-76.6	-34	0	0	0	112.7	N556 I558 L562 S563	N556-N560 VanDerWaalsContact O-CB 3.26Å; N556-N560 WeakPolarHBondContact O-CB 3.39Å; N556-N560 PolarHBondContact O-N 3.09Å; N556-N560 PolarHBondContact O-ND2 3.49Å; I558-N560 VanDerWaalsContact C-N 3.28Å; I558-N560 PolarHBondContact O-N 3.32Å; N560-L562 PolarHBondContact O-N 3.28Å; N560-S563 PolarHBondContact O-N 3.05Å
561	R	49.8	Very low	48.7	Very low	171 Å²	171	57.2 Å²	57.2	65%	0.645	31%	0.314	S	S	*	.	H	α-helix	trans	-65.7	-35.5	178.8	-81.2	-175.6	173.1	-142.7	-0.3	113.5	S557 I558 S563 L582	S557-R561 WeakPolarHBondContact O-CG 3.39Å; S557-R561 PolarHBondContact O-N 3.15Å; S557-R561 VanDerWaalsContact O-N 3.15Å; I558-R561 PolarHBondContact O-N 2.94Å; R561-S563 VanDerWaalsContact C-N 3.3Å; R561-L582 HydrophobicContact CB-CD2 3.88Å
562	L	52.3	Low	49.5	Very low	1 Å²	1	57.2 Å²	57.2	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-80.9	-8.6	175.6	-66.1	175.2	0	0	0	113	I558 S559 N560 L564 L570 A578 L582 M586 L595 I598	I558-L562 HydrophobicContact CG2-CD1 3.88Å; I558-L562 HydrophobicContact CG2-CG 4.42Å; I558-L562 PolarHBondContact O-N 3.49Å; S559-L562 PolarHBondContact O-N 2.9Å; N560-L562 PolarHBondContact O-N 3.28Å; L562-L564 HydrophobicContact CB-CD1 4.09Å; L562-L564 HydrophobicContact CB-CG 3.86Å; L562-L564 HydrophobicContact CD1-CD1 3.94Å; L562-L564 PolarHBondContact O-N 3.46Å; L562-L570 HydrophobicContact CD1-CD1 4.21Å; L562-A578 HydrophobicContact CD1-CB 3.93Å; L562-L582 HydrophobicContact CD2-CD2 4.23Å; L562-M586 HydrophobicContact CD2-CE 4.27Å; L562-L595 HydrophobicContact CB-CD2 4.48Å; L562-L595 WeakPolarHBondContact O-CD1 3.42Å; L562-L595 WeakPolarHBondContact O-CD2 3.09Å; L562-I598 HydrophobicContact CD1-CD1 4.03Å
563	S	52.7	Low	50.2	Low	58 Å²	58	58.8 Å²	58.8	41%	0.406	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	31.9	-171.3	70.6	0	0	0	0	114.2	S559 N560 R561 R657	S559-S563 PolarHBondContact O-N 3.11Å; N560-S563 PolarHBondContact O-N 3.05Å; R561-S563 VanDerWaalsContact C-N 3.3Å; S563-R657 PolarHBondContact O-NH1 2.96Å; S563-R657 PolarHBondContact O-NH2 3.15Å
564	L	49.5	Very low	51	Low	10 Å²	10	52.5 Å²	52.5	5%	0.052	30%	0.297	C	S	.	.			trans	-68.9	152.2	166.8	-66	173.5	0	0	0	109.6	S559 L562 A566 I568 L570 L595 F600	S559-L564 PolarHBondContact O-N 3.3Å; L562-L564 HydrophobicContact CB-CD1 4.09Å; L562-L564 HydrophobicContact CB-CG 3.86Å; L562-L564 HydrophobicContact CD1-CD1 3.94Å; L562-L564 PolarHBondContact O-N 3.46Å; L564-A566 PolarHBondContact O-N 3.01Å; L564-I568 HydrophobicContact CD1-CG2 4.45Å; L564-L570 HydrophobicContact CD1-CD1 3.92Å; L564-L570 HydrophobicContact CD1-CD2 4.22Å; L564-L570 HydrophobicContact CD1-CG 3.96Å; L564-L595 HydrophobicContact CD2-CD2 3.51Å; L564-L595 HydrophobicContact CG-CD2 4.18Å; L564-F600 HydrophobicContact CD2-CD1 4.25Å; L564-F600 HydrophobicContact CD2-CD2 3.55Å; L564-F600 HydrophobicContact CD2-CE1 4.12Å; L564-F600 HydrophobicContact CD2-CE2 3.39Å; L564-F600 HydrophobicContact CD2-CG 4Å; L564-F600 HydrophobicContact CD2-CZ 3.71Å
565	P	47.2	Very low	51.8	Low	18 Å²	18	50.8 Å²	50.8	12%	0.117	28%	0.28	C	S	.	.			trans	-56.4	135.6	164.9	-18.5	31	0	0	0	109.5	S567 I568 H668	P565-S567 PolarHBondContact O-N 2.78Å; P565-I568 HydrophobicContact CB-CG1 4.22Å; P565-I568 HydrophobicContact CG-CD1 3.95Å; P565-I568 HydrophobicContact CG-CG1 4.18Å; P565-I568 WeakPolarHBondContact O-CA 3.32Å; P565-I568 WeakPolarHBondContact O-CB 3.49Å; P565-I568 PolarHBondContact O-N 2.72Å; P565-H668 HydrophobicContact CG-CB 4.18Å; P565-H668 WeakPolarHBondContact CG-O 3.47Å
566	A	42	Very low	52	Low	27 Å²	27	55.9 Å²	55.9	22%	0.223	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.1	-178.9	0	0	0	0	0	114	L564	L564-A566 PolarHBondContact O-N 3.01Å
567	S	49	Very low	52.5	Low	74 Å²	74	57.8 Å²	57.8	52%	0.517	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-12.4	169.1	46.1	0	0	0	0	113.8	P565 N569 H668	P565-S567 PolarHBondContact O-N 2.78Å; S567-N569 PolarHBondContact O-N 2.99Å; S567-H668 PolarHBondContact OG-CE1 2.8Å
568	I	53.1	Low	52.8	Low	9 Å²	9	54.6 Å²	54.6	5%	0.046	28%	0.28	C	S	.	.			trans	-89.3	92.7	171.4	-67.1	-168.6	0	0	0	108.2	S559 L564 P565 F600 T628 H668	S559-I568 PolarHBondContact OG-O 3.41Å; S559-I568 VanDerWaalsContact OG-O 3.14Å; L564-I568 HydrophobicContact CD1-CG2 4.45Å; P565-I568 HydrophobicContact CB-CG1 4.22Å; P565-I568 HydrophobicContact CG-CD1 3.95Å; P565-I568 HydrophobicContact CG-CG1 4.18Å; P565-I568 WeakPolarHBondContact O-CA 3.32Å; P565-I568 WeakPolarHBondContact O-CB 3.49Å; P565-I568 PolarHBondContact O-N 2.72Å; I568-F600 HydrophobicContact CD1-CE1 3.64Å; I568-F600 HydrophobicContact CD1-CZ 4.1Å; I568-F600 HydrophobicContact CG2-CE1 4.42Å; I568-F600 HydrophobicContact CG2-CZ 3.85Å; I568-T628 HydrophobicContact CG2-CG2 3.81Å; I568-H668 HydrophobicContact CD1-CB 4.17Å
569	N	53.6	Low	52.9	Low	87 Å²	87	56.1 Å²	56.1	47%	0.465	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-76.4	122.5	155.3	-76	-42.2	0	0	0	107.8	S567	S567-N569 PolarHBondContact O-N 2.99Å
570	L	55.1	Low	52.9	Low	4 Å²	4	62.9 Å²	62.9	2%	0.021	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-65.5	143	166.8	-68.3	170.5	0	0	0	108.8	L562 L564 L574 W575 A578 I598 F600	L562-L570 HydrophobicContact CD1-CD1 4.21Å; L564-L570 HydrophobicContact CD1-CD1 3.92Å; L564-L570 HydrophobicContact CD1-CD2 4.22Å; L564-L570 HydrophobicContact CD1-CG 3.96Å; L570-L574 HydrophobicContact CB-CB 4.14Å; L570-L574 HydrophobicContact CD2-CB 4.26Å; L570-L574 HydrophobicContact CD2-CD1 4.07Å; L570-W575 HydrophobicContact CB-CD2 3.98Å; L570-W575 HydrophobicContact CB-CE3 4.1Å; L570-W575 HydrophobicContact CB-CH2 4.14Å; L570-W575 HydrophobicContact CB-CZ2 4.01Å; L570-W575 HydrophobicContact CB-CZ3 4.16Å; L570-W575 HydrophobicContact CD1-CE3 4.01Å; L570-W575 HydrophobicContact CD1-CZ3 4.09Å; L570-W575 HydrophobicContact CG-CZ3 4.43Å; L570-W575 VanDerWaalsContact O-CZ2 3.27Å; L570-W575 WeakPolarHBondContact O-CZ2 3.29Å; L570-W575 PolarHBondContact O-NE1 2.89Å; L570-A578 HydrophobicContact CD1-CB 3.6Å; L570-I598 HydrophobicContact CD2-CG2 4.14Å; L570-F600 HydrophobicContact CD2-CE2 4.28Å
571	P	51.8	Low	52.9	Low	27 Å²	27	59.8 Å²	59.8	18%	0.175	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-61	154.6	170.8	-26.2	36	0	0	0	112.1	H573 L574 W575 L627	P571-H573 PolarHBondContact O-N 2.8Å; P571-L574 PolarHBondContact O-N 3.03Å; P571-W575 PolarHBondContact O-N 3.37Å; P571-L627 WeakPolarHBondContact CD-O 3.44Å; P571-L627 WeakPolarHBondContact CG-O 3.45Å
572	P	53.2	Low	52.9	Low	99 Å²	99	53 Å²	53	64%	0.643	28%	0.28	S	S	*	.	H	α-helix	trans	-37.5	-47.9	174.6	-36.5	38.7	0	0	0	115.1	L574 W575	P572-L574 PolarHBondContact O-N 3Å; P572-W575 PolarHBondContact O-N 2.73Å
573	H	61.1	Low	52.7	Low	135 Å²	135	59.8 Å²	59.8	63%	0.625	31%	0.311	S	S	*	.	H	α-helix	trans	-72.3	-26.1	-177.6	68.1	-98	0	0	0	114.5	P571	P571-H573 PolarHBondContact O-N 2.8Å
574	L	61.1	Low	52.7	Low	20 Å²	20	63.2 Å²	63.2	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-81.4	-19.7	176.6	-69.8	-167.6	0	0	0	112.9	L570 P571 P572 H576 R577 A578 L627	L570-L574 HydrophobicContact CB-CB 4.14Å; L570-L574 HydrophobicContact CD2-CB 4.26Å; L570-L574 HydrophobicContact CD2-CD1 4.07Å; P571-L574 PolarHBondContact O-N 3.03Å; P572-L574 PolarHBondContact O-N 3Å; L574-H576 VanDerWaalsContact C-N 3.33Å; L574-H576 PolarHBondContact O-N 3.07Å; L574-R577 PolarHBondContact O-N 2.86Å; L574-A578 WeakPolarHBondContact O-CB 3.43Å; L574-A578 PolarHBondContact O-N 3.35Å; L574-L627 HydrophobicContact CD1-CB 4.15Å; L574-L627 HydrophobicContact CD1-CD2 4.34Å; L574-L627 WeakPolarHBondContact CD1-O 3.11Å
575	W	59	Low	52.8	Low	52 Å²	52	69 Å²	69	20%	0.197	36%	0.359	C	S	.	.	H	α-helix	trans	-61.4	-40.4	176.5	-60.5	107.3	0	0	0	111.8	I558 L570 P571 P572 R577 A578 T579	I558-W575 HydrophobicContact CB-CE3 4.04Å; I558-W575 HydrophobicContact CB-CZ3 3.67Å; I558-W575 HydrophobicContact CD1-CE3 3.81Å; I558-W575 HydrophobicContact CD1-CZ3 4.21Å; I558-W575 HydrophobicContact CG2-CE3 3.67Å; I558-W575 HydrophobicContact CG2-CZ3 3.51Å; L570-W575 HydrophobicContact CB-CD2 3.98Å; L570-W575 HydrophobicContact CB-CE3 4.1Å; L570-W575 HydrophobicContact CB-CH2 4.14Å; L570-W575 HydrophobicContact CB-CZ2 4.01Å; L570-W575 HydrophobicContact CB-CZ3 4.16Å; L570-W575 HydrophobicContact CD1-CE3 4.01Å; L570-W575 HydrophobicContact CD1-CZ3 4.09Å; L570-W575 HydrophobicContact CG-CZ3 4.43Å; L570-W575 VanDerWaalsContact O-CZ2 3.27Å; L570-W575 WeakPolarHBondContact O-CZ2 3.29Å; L570-W575 PolarHBondContact O-NE1 2.89Å; P571-W575 PolarHBondContact O-N 3.37Å; P572-W575 PolarHBondContact O-N 2.73Å; W575-R577 VanDerWaalsContact C-N 3.31Å; W575-R577 PolarHBondContact O-N 2.74Å; W575-A578 CarbonylContact O-C 3.57Å; W575-A578 WeakPolarHBondContact O-CA 3.34Å; W575-A578 WeakPolarHBondContact O-CB 3.37Å; W575-A578 PolarHBondContact O-N 3.27Å; W575-A578 VanDerWaalsContact O-N 3.09Å; W575-T579 WeakPolarHBondContact O-CB 3.31Å; W575-T579 WeakPolarHBondContact O-CG2 3.45Å; W575-T579 PolarHBondContact O-N 3.06Å; W575-T579 PolarHBondContact O-OG1 3.04Å
576	H	52.7	Low	53.1	Low	122 Å²	122	69.4 Å²	69.4	57%	0.565	36%	0.36	S	S	*	.	H	α-helix	trans	-56.9	-43.9	177.5	-80.2	-62.7	0	0	0	112.5	L574 T579 Q580	L574-H576 VanDerWaalsContact C-N 3.33Å; L574-H576 PolarHBondContact O-N 3.07Å; H576-T579 WeakPolarHBondContact CA-OG1 3.48Å; H576-T579 PolarHBondContact O-N 2.84Å; H576-T579 PolarHBondContact O-OG1 2.98Å; H576-Q580 VanDerWaalsContact O-CG 3.32Å; H576-Q580 WeakPolarHBondContact O-CG 3.05Å; H576-Q580 PolarHBondContact O-N 2.99Å; H576-Q580 VanDerWaalsContact O-N 3.09Å
577	R	57.5	Low	54	Low	106 Å²	106	70.4 Å²	70.4	40%	0.4	37%	0.365	S	S	.	.	H	α-helix	trans	-67.4	-41	175.5	-164.5	177	-174.6	-176	-0.2	111.5	L574 W575 F581 E597	L574-R577 PolarHBondContact O-N 2.86Å; W575-R577 VanDerWaalsContact C-N 3.31Å; W575-R577 PolarHBondContact O-N 2.74Å; R577-F581 HydrophobicContact CG-CE2 4.11Å; R577-F581 WeakPolarHBondContact O-CD2 3.39Å; R577-F581 VanDerWaalsContact O-CE2 3.29Å; R577-F581 WeakPolarHBondContact O-CE2 3.47Å; R577-E597 VanDerWaalsContact CZ-O 3.22Å; R577-E597 PolarHBondContact NH1-O 3.07Å; R577-E597 PolarHBondContact NH2-O 3.21Å; R577-E597 VanDerWaalsContact NH2-O 3.13Å
578	A	53.5	Low	54.3	Low	0 Å²	0	76.8 Å²	76.8	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-64.1	-37.2	175	0	0	0	0	0	113.4	I558 L562 L570 L574 W575 F581 L582 I598	I558-A578 HydrophobicContact CG2-CB 4.49Å; L562-A578 HydrophobicContact CD1-CB 3.93Å; L570-A578 HydrophobicContact CD1-CB 3.6Å; L574-A578 WeakPolarHBondContact O-CB 3.43Å; L574-A578 PolarHBondContact O-N 3.35Å; W575-A578 CarbonylContact O-C 3.57Å; W575-A578 WeakPolarHBondContact O-CA 3.34Å; W575-A578 WeakPolarHBondContact O-CB 3.37Å; W575-A578 PolarHBondContact O-N 3.27Å; W575-A578 VanDerWaalsContact O-N 3.09Å; A578-F581 PolarHBondContact O-N 3.32Å; A578-L582 WeakPolarHBondContact O-CD1 3.47Å; A578-L582 WeakPolarHBondContact O-CG 3.5Å; A578-I598 HydrophobicContact CB-CD1 4.19Å
579	T	52.8	Low	54.6	Low	51 Å²	51	85.7 Å²	85.7	31%	0.313	41%	0.411	S	S	.	.	H	α-helix	trans	-76	-29.7	179.6	50.6	0	0	0	0	112.9	I558 W575 H576 F581 L582	I558-T579 HydrophobicContact CD1-CG2 3.96Å; W575-T579 WeakPolarHBondContact O-CB 3.31Å; W575-T579 WeakPolarHBondContact O-CG2 3.45Å; W575-T579 PolarHBondContact O-N 3.06Å; W575-T579 PolarHBondContact O-OG1 3.04Å; H576-T579 WeakPolarHBondContact CA-OG1 3.48Å; H576-T579 PolarHBondContact O-N 2.84Å; H576-T579 PolarHBondContact O-OG1 2.98Å; T579-F581 PolarHBondContact O-N 2.92Å; T579-L582 PolarHBondContact O-N 3.46Å
580	Q	53.4	Low	54.7	Low	144 Å²	144	86.2 Å²	86.2	67%	0.673	41%	0.411	S	S	*	.	H	α-helix	trans	-57.1	-30.9	170.4	-76.9	165.7	-8.2	0	0	112	H576 L582	H576-Q580 VanDerWaalsContact O-CG 3.32Å; H576-Q580 WeakPolarHBondContact O-CG 3.05Å; H576-Q580 PolarHBondContact O-N 2.99Å; H576-Q580 VanDerWaalsContact O-N 3.09Å; Q580-L582 VanDerWaalsContact C-N 3.35Å
581	F	51.2	Low	54.9	Low	40 Å²	40	91 Å²	91	18%	0.175	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.7	173.6	-56.7	-61.6	0	0	0	114.5	R577 A578 T579 M586 E597 I598	R577-F581 HydrophobicContact CG-CE2 4.11Å; R577-F581 WeakPolarHBondContact O-CD2 3.39Å; R577-F581 VanDerWaalsContact O-CE2 3.29Å; R577-F581 WeakPolarHBondContact O-CE2 3.47Å; A578-F581 PolarHBondContact O-N 3.32Å; T579-F581 PolarHBondContact O-N 2.92Å; F581-M586 HydrophobicContact CB-CE 4.23Å; F581-M586 HydrophobicContact CB-SD 4.08Å; F581-M586 WeakPolarHBondContact O-CE 3.26Å; F581-M586 VanDerWaalsContact O-SD 3.41Å; F581-E597 WeakPolarHBondContact CE1-OE2 3.27Å; F581-E597 HydrophobicContact CZ-CB 4.14Å; F581-E597 VanDerWaalsContact CZ-CD 3.48Å; F581-E597 HydrophobicContact CZ-CG 3.95Å; F581-I598 HydrophobicContact CD2-CD1 4.15Å; F581-I598 HydrophobicContact CD2-CG1 4.28Å; F581-I598 HydrophobicContact CE2-CD1 4.27Å; F581-I598 HydrophobicContact CE2-CG1 3.89Å
582	L	49.7	Very low	55.1	Low	28 Å²	28	96.9 Å²	96.9	15%	0.147	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-4.2	-168.8	-70.2	171.1	0	0	0	115.5	I558 R561 L562 A578 T579 Q580 E584 M586	I558-L582 HydrophobicContact CB-CD1 4.27Å; I558-L582 HydrophobicContact CG1-CD1 3.98Å; I558-L582 HydrophobicContact CG2-CD1 3.69Å; R561-L582 HydrophobicContact CB-CD2 3.88Å; L562-L582 HydrophobicContact CD2-CD2 4.23Å; A578-L582 WeakPolarHBondContact O-CD1 3.47Å; A578-L582 WeakPolarHBondContact O-CG 3.5Å; T579-L582 PolarHBondContact O-N 3.46Å; Q580-L582 VanDerWaalsContact C-N 3.35Å; L582-E584 VanDerWaalsContact C-N 3.28Å; L582-E584 PolarHBondContact O-N 3.14Å; L582-M586 HydrophobicContact CD2-CE 3.98Å
583	E	48.7	Very low	55.2	Low	144 Å²	144	95 Å²	95	67%	0.673	44%	0.436	S	S	*	.	S	Bend	trans	-73.4	-19.6	176.2	-57.8	-156.9	144.3	0	0	112.9	I524	I524-E583 HydrophobicContact CD1-CB 4.47Å
584	E	51.9	Low	54.9	Low	131 Å²	131	88.7 Å²	88.7	61%	0.612	41%	0.407	S	S	*	.	S	Bend	trans	-123.9	153.1	-179.7	-68.4	-152.7	174.3	0	0	114.2	I524 L582 M586	I524-E584 HydrophobicContact CG2-CG 4.29Å; L582-E584 VanDerWaalsContact C-N 3.28Å; L582-E584 PolarHBondContact O-N 3.14Å; E584-M586 PolarHBondContact O-N 2.92Å
585	P	51.2	Low	54.8	Low	131 Å²	131	89 Å²	89	85%	0.851	41%	0.408	S	S	*	.			trans	-76.8	75.7	-174.8	32.2	-36.9	0	0	0	113.4	S587	P585-S587 PolarHBondContact O-N 3.34Å
586	M	53.6	Low	54.8	Low	26 Å²	26	88.5 Å²	88.5	13%	0.128	41%	0.413	C	S	.	.			trans	-47.5	130.6	178	-73.1	-173	-75.5	0	0	114.7	L562 F581 L582 E584 E590 R591 S594	L562-M586 HydrophobicContact CD2-CE 4.27Å; F581-M586 HydrophobicContact CB-CE 4.23Å; F581-M586 HydrophobicContact CB-SD 4.08Å; F581-M586 WeakPolarHBondContact O-CE 3.26Å; F581-M586 VanDerWaalsContact O-SD 3.41Å; L582-M586 HydrophobicContact CD2-CE 3.98Å; E584-M586 PolarHBondContact O-N 2.92Å; M586-E590 HydrophobicContact CB-CB 3.9Å; M586-E590 HydrophobicContact CG-CB 3.85Å; M586-E590 HydrophobicContact SD-CB 4.23Å; M586-R591 HydrophobicContact CB-CG 3.86Å; M586-R591 HydrophobicContact CE-CG 3.58Å; M586-R591 PolarHBondContact O-NE 3.33Å; M586-R591 PolarHBondContact O-NH2 3.42Å; M586-R591 HydrophobicContact SD-CG 3.86Å; M586-S594 PolarHBondContact SD-OG 3.43Å
587	S	61.3	Low	55	Low	48 Å²	48	87 Å²	87	34%	0.336	41%	0.406	S	S	.	.			trans	-62.3	173.3	165.5	77.1	0	0	0	0	112.2	P585 R589 E590 R591	P585-S587 PolarHBondContact O-N 3.34Å; S587-R589 PolarHBondContact O-N 3.49Å; S587-R589 PolarHBondContact OG-N 2.88Å; S587-R589 VanDerWaalsContact OG-N 3.16Å; S587-E590 WeakPolarHBondContact CA-OE2 3.27Å; S587-E590 WeakPolarHBondContact CB-OE2 3.27Å; S587-E590 PolarHBondContact N-OE2 2.91Å; S587-E590 PolarHBondContact O-N 2.99Å; S587-E590 PolarHBondContact OG-N 3.36Å; S587-E590 PolarHBondContact OG-OE1 3.06Å; S587-E590 PolarHBondContact OG-OE2 3.43Å; S587-R591 PolarHBondContact O-N 3.38Å; S587-R591 PolarHBondContact O-NE 2.86Å
588	R	55.2	Low	55.1	Low	208 Å²	208	82.3 Å²	82.3	79%	0.785	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-16	174	-166.1	173.2	-175.6	170.6	2.9	112.8
589	R	58.6	Low	55.4	Low	197 Å²	197	82.5 Å²	82.5	74%	0.743	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-55.2	172.4	-174	177.9	-179.6	169.2	-0.6	110	S587 R591 R592 C593	S587-R589 PolarHBondContact O-N 3.49Å; S587-R589 PolarHBondContact OG-N 2.88Å; S587-R589 VanDerWaalsContact OG-N 3.16Å; R589-R591 VanDerWaalsContact C-N 3.31Å; R589-R591 PolarHBondContact O-N 2.86Å; R589-R592 PolarHBondContact O-N 3.36Å; R589-C593 PolarHBondContact O-N 3.03Å; R589-C593 PolarHBondContact O-SG 3.18Å
590	E	56.5	Low	55.9	Low	98 Å²	98	80.5 Å²	80.5	46%	0.458	38%	0.378	S	S	.	.	H	α-helix	trans	-56.9	-42.5	179.1	-73.3	99.4	-142	0	0	111.9	M586 S587 R592 C593 S594	M586-E590 HydrophobicContact CB-CB 3.9Å; M586-E590 HydrophobicContact CG-CB 3.85Å; M586-E590 HydrophobicContact SD-CB 4.23Å; S587-E590 WeakPolarHBondContact CA-OE2 3.27Å; S587-E590 WeakPolarHBondContact CB-OE2 3.27Å; S587-E590 PolarHBondContact N-OE2 2.91Å; S587-E590 PolarHBondContact O-N 2.99Å; S587-E590 PolarHBondContact OG-N 3.36Å; S587-E590 PolarHBondContact OG-OE1 3.06Å; S587-E590 PolarHBondContact OG-OE2 3.43Å; E590-R592 PolarHBondContact O-N 3.24Å; E590-R592 VanDerWaalsContact O-N 3.15Å; E590-C593 CarbonylContact O-C 3.55Å; E590-C593 WeakPolarHBondContact O-CA 3.37Å; E590-C593 WeakPolarHBondContact O-CB 3.23Å; E590-C593 PolarHBondContact O-N 2.87Å; E590-S594 PolarHBondContact O-N 3.1Å; E590-S594 PolarHBondContact O-OG 3.35Å; E590-S594 VanDerWaalsContact O-OG 3.11Å
591	R	58.5	Low	56.4	Low	103 Å²	103	75.1 Å²	75.1	39%	0.389	36%	0.361	S	S	.	.	H	α-helix	trans	-60.3	-23.5	175.8	-95.8	172.6	-72.8	143.7	-5.6	115.2	M586 S587 R589 L595	M586-R591 HydrophobicContact CB-CG 3.86Å; M586-R591 HydrophobicContact CE-CG 3.58Å; M586-R591 PolarHBondContact O-NE 3.33Å; M586-R591 PolarHBondContact O-NH2 3.42Å; M586-R591 HydrophobicContact SD-CG 3.86Å; S587-R591 PolarHBondContact O-N 3.38Å; S587-R591 PolarHBondContact O-NE 2.86Å; R589-R591 VanDerWaalsContact C-N 3.31Å; R589-R591 PolarHBondContact O-N 2.86Å; R591-L595 WeakPolarHBondContact O-CG 3.06Å
592	R	56.3	Low	57.3	Low	151 Å²	151	77.1 Å²	77.1	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-85.7	-37.1	172.5	-72.1	176.4	61.2	111	-2.9	111.1	R589 E590 S596	R589-R592 PolarHBondContact O-N 3.36Å; E590-R592 PolarHBondContact O-N 3.24Å; E590-R592 VanDerWaalsContact O-N 3.15Å; R592-S596 PolarHBondContact O-N 3.4Å; R592-S596 VanDerWaalsContact O-N 3.1Å; R592-S596 PolarHBondContact O-OG 3.19Å
593	C	55.4	Low	58.7	Low	60 Å²	60	78.7 Å²	78.7	41%	0.405	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-53.1	173.2	-65.1	0	0	0	0	110.9	R589 E590 L595 S596 E597	R589-C593 PolarHBondContact O-N 3.03Å; R589-C593 PolarHBondContact O-SG 3.18Å; E590-C593 CarbonylContact O-C 3.55Å; E590-C593 WeakPolarHBondContact O-CA 3.37Å; E590-C593 WeakPolarHBondContact O-CB 3.23Å; E590-C593 PolarHBondContact O-N 2.87Å; C593-L595 PolarHBondContact O-N 3.44Å; C593-S596 CarbonylContact O-C 3.5Å; C593-S596 WeakPolarHBondContact O-CA 3.49Å; C593-S596 PolarHBondContact O-N 3.13Å; C593-S596 PolarHBondContact O-OG 3.4Å; C593-E597 VanDerWaalsContact O-CB 3.31Å; C593-E597 WeakPolarHBondContact O-CB 2.99Å; C593-E597 PolarHBondContact O-N 3.32Å
594	S	54.9	Low	60.3	Low	2 Å²	2	79.2 Å²	79.2	1%	0.014	38%	0.38	C	S	.	.	H	α-helix	trans	-62.1	-37.3	-179.7	57.8	0	0	0	0	113.1	M586 E590 E597 I598	M586-S594 PolarHBondContact SD-OG 3.43Å; E590-S594 PolarHBondContact O-N 3.1Å; E590-S594 PolarHBondContact O-OG 3.35Å; E590-S594 VanDerWaalsContact O-OG 3.11Å; S594-E597 PolarHBondContact O-N 2.83Å; S594-I598 VanDerWaalsContact O-CG1 3.27Å; S594-I598 WeakPolarHBondContact O-CG1 3.11Å; S594-I598 PolarHBondContact O-N 2.55Å
595	L	58.2	Low	62	Low	26 Å²	26	73.6 Å²	73.6	14%	0.136	36%	0.355	C	S	.	.	H	α-helix	trans	-57.1	-50	168	-84.8	176.1	0	0	0	111.9	L562 L564 R591 C593 E597 I598 G599 F600	L562-L595 HydrophobicContact CB-CD2 4.48Å; L562-L595 WeakPolarHBondContact O-CD1 3.42Å; L562-L595 WeakPolarHBondContact O-CD2 3.09Å; L564-L595 HydrophobicContact CD2-CD2 3.51Å; L564-L595 HydrophobicContact CG-CD2 4.18Å; R591-L595 WeakPolarHBondContact O-CG 3.06Å; C593-L595 PolarHBondContact O-N 3.44Å; L595-E597 PolarHBondContact O-N 3.03Å; L595-I598 PolarHBondContact O-N 2.75Å; L595-G599 PolarHBondContact O-N 3.15Å; L595-F600 HydrophobicContact CB-CB 4.33Å; L595-F600 HydrophobicContact CD2-CB 4.22Å; L595-F600 HydrophobicContact CD2-CD2 4.09Å; L595-F600 HydrophobicContact CD2-CG 4.32Å; L595-F600 PolarHBondContact O-N 2.69Å
596	S	60.2	Low	64	Low	42 Å²	42	67.8 Å²	67.8	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-70.7	-15.6	177.8	72.1	0	0	0	0	114.8	R592 C593 F600 K602	R592-S596 PolarHBondContact O-N 3.4Å; R592-S596 VanDerWaalsContact O-N 3.1Å; R592-S596 PolarHBondContact O-OG 3.19Å; C593-S596 CarbonylContact O-C 3.5Å; C593-S596 WeakPolarHBondContact O-CA 3.49Å; C593-S596 PolarHBondContact O-N 3.13Å; C593-S596 PolarHBondContact O-OG 3.4Å; S596-F600 VanDerWaalsContact CA-O 3.27Å; S596-F600 WeakPolarHBondContact CA-O 3.48Å; S596-K602 WeakPolarHBondContact O-CD 3.49Å; S596-K602 WeakPolarHBondContact O-CE 3.22Å; S596-K602 PolarHBondContact O-NZ 2.84Å
597	E	55.9	Low	65.8	Low	91 Å²	91	68.2 Å²	68.2	43%	0.425	32%	0.324	S	S	.	.	H	α-helix	trans	-90.3	-32	178.1	-166.3	175.7	164.9	0	0	111.8	R577 F581 C593 S594 L595 G599	R577-E597 VanDerWaalsContact CZ-O 3.22Å; R577-E597 PolarHBondContact NH1-O 3.07Å; R577-E597 PolarHBondContact NH2-O 3.21Å; R577-E597 VanDerWaalsContact NH2-O 3.13Å; F581-E597 WeakPolarHBondContact CE1-OE2 3.27Å; F581-E597 HydrophobicContact CZ-CB 4.14Å; F581-E597 VanDerWaalsContact CZ-CD 3.48Å; F581-E597 HydrophobicContact CZ-CG 3.95Å; C593-E597 VanDerWaalsContact O-CB 3.31Å; C593-E597 WeakPolarHBondContact O-CB 2.99Å; C593-E597 PolarHBondContact O-N 3.32Å; S594-E597 PolarHBondContact O-N 2.83Å; L595-E597 PolarHBondContact O-N 3.03Å; E597-G599 VanDerWaalsContact C-N 3.33Å
598	I	59.7	Low	67.4	Low	7 Å²	7	69.7 Å²	69.7	4%	0.036	32%	0.324	C	S	.	.	H	α-helix	trans	-68.1	-35.8	161	-63.5	164.6	0	0	0	109.8	L562 L570 A578 F581 S594 L595 F600 L627	L562-I598 HydrophobicContact CD1-CD1 4.03Å; L570-I598 HydrophobicContact CD2-CG2 4.14Å; A578-I598 HydrophobicContact CB-CD1 4.19Å; F581-I598 HydrophobicContact CD2-CD1 4.15Å; F581-I598 HydrophobicContact CD2-CG1 4.28Å; F581-I598 HydrophobicContact CE2-CD1 4.27Å; F581-I598 HydrophobicContact CE2-CG1 3.89Å; S594-I598 VanDerWaalsContact O-CG1 3.27Å; S594-I598 WeakPolarHBondContact O-CG1 3.11Å; S594-I598 PolarHBondContact O-N 2.55Å; L595-I598 PolarHBondContact O-N 2.75Å; I598-F600 HydrophobicContact CB-CD2 4.45Å; I598-F600 HydrophobicContact CG2-CD2 4.05Å; I598-F600 HydrophobicContact CG2-CE2 3.84Å; I598-L627 WeakPolarHBondContact O-CD2 3.49Å
599	G	60.4	Low	69.2	Low	4 Å²	4	63.8 Å²	63.8	4%	0.041	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	136.4	-10.3	168.1	0	0	0	0	0	116	L595 E597 K602 S605	L595-G599 PolarHBondContact O-N 3.15Å; E597-G599 VanDerWaalsContact C-N 3.33Å; G599-K602 WeakPolarHBondContact O-CB 3.16Å; G599-K602 PolarHBondContact O-N 2.67Å; G599-K602 VanDerWaalsContact O-N 3.15Å; G599-S605 VanDerWaalsContact CA-OG 3.22Å; G599-S605 WeakPolarHBondContact CA-OG 3.38Å; G599-S605 WeakPolarHBondContact O-CB 3.44Å; G599-S605 PolarHBondContact O-OG 2.98Å
600	F	62.6	Low	70.9	Confident	10 Å²	10	58.6 Å²	58.6	4%	0.044	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	139.3	-178.4	-68.4	-79.9	0	0	0	112.7	L564 I568 L570 L595 S596 I598 K602 L627	L564-F600 HydrophobicContact CD2-CD1 4.25Å; L564-F600 HydrophobicContact CD2-CD2 3.55Å; L564-F600 HydrophobicContact CD2-CE1 4.12Å; L564-F600 HydrophobicContact CD2-CE2 3.39Å; L564-F600 HydrophobicContact CD2-CG 4Å; L564-F600 HydrophobicContact CD2-CZ 3.71Å; I568-F600 HydrophobicContact CD1-CE1 3.64Å; I568-F600 HydrophobicContact CD1-CZ 4.1Å; I568-F600 HydrophobicContact CG2-CE1 4.42Å; I568-F600 HydrophobicContact CG2-CZ 3.85Å; L570-F600 HydrophobicContact CD2-CE2 4.28Å; L595-F600 HydrophobicContact CB-CB 4.33Å; L595-F600 HydrophobicContact CD2-CB 4.22Å; L595-F600 HydrophobicContact CD2-CD2 4.09Å; L595-F600 HydrophobicContact CD2-CG 4.32Å; L595-F600 PolarHBondContact O-N 2.69Å; S596-F600 VanDerWaalsContact CA-O 3.27Å; S596-F600 WeakPolarHBondContact CA-O 3.48Å; I598-F600 HydrophobicContact CB-CD2 4.45Å; I598-F600 HydrophobicContact CG2-CD2 4.05Å; I598-F600 HydrophobicContact CG2-CE2 3.84Å; F600-K602 VanDerWaalsContact C-N 3.29Å; F600-L627 HydrophobicContact CD1-CD1 4.49Å; F600-L627 HydrophobicContact CD2-CD1 3.97Å; F600-L627 HydrophobicContact CE1-CD1 4.19Å; F600-L627 HydrophobicContact CE2-CD1 3.63Å; F600-L627 HydrophobicContact CG-CD1 4.38Å; F600-L627 HydrophobicContact CZ-CD1 3.74Å
601	G	63.8	Low	72.7	Confident	30 Å²	30	58.6 Å²	58.6	31%	0.309	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	0.8	-172.3	0	0	0	0	0	115	D669	G601-D669 PolarHBondContact N-OD2 3.14Å
602	K	71.2	Confident	74.1	Confident	83 Å²	83	57.7 Å²	57.7	36%	0.361	30%	0.3	S	S	.	.			trans	-104.1	135	173.1	-66.9	176.3	169.7	167.8	0	111.7	S596 G599 F600 E604 S605	S596-K602 WeakPolarHBondContact O-CD 3.49Å; S596-K602 WeakPolarHBondContact O-CE 3.22Å; S596-K602 PolarHBondContact O-NZ 2.84Å; G599-K602 WeakPolarHBondContact O-CB 3.16Å; G599-K602 PolarHBondContact O-N 2.67Å; G599-K602 VanDerWaalsContact O-N 3.15Å; F600-K602 VanDerWaalsContact C-N 3.29Å; K602-E604 HydrophobicContact CB-CB 4.49Å; K602-E604 PolarHBondContact O-N 3.07Å; K602-S605 PolarHBondContact O-N 3.04Å
603	L	77.6	Confident	75.5	Confident	61 Å²	61	51.9 Å²	51.9	32%	0.319	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-61.2	-32.8	174.3	-170.3	61.8	0	0	0	112.4	S605 Y606 I671	L603-S605 PolarHBondContact O-N 2.76Å; L603-S605 VanDerWaalsContact O-N 3.11Å; L603-Y606 PolarHBondContact O-N 3.03Å; L603-I671 HydrophobicContact CB-CG2 4.15Å; L603-I671 HydrophobicContact CD1-CD1 4.37Å
604	E	83.6	Confident	76.8	Confident	154 Å²	154	55.4 Å²	55.4	72%	0.72	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-56.5	-24.1	177.1	-59.8	168.7	155.5	0	0	113.9	K602 Y606	K602-E604 HydrophobicContact CB-CB 4.49Å; K602-E604 PolarHBondContact O-N 3.07Å; E604-Y606 VanDerWaalsContact C-N 3.26Å; E604-Y606 PolarHBondContact O-N 3.19Å
605	S	87	Confident	77.7	Confident	13 Å²	13	57.6 Å²	57.6	9%	0.091	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-84.9	4.9	178.6	-66.5	0	0	0	0	113.9	G599 K602 L603 S625 L626	G599-S605 VanDerWaalsContact CA-OG 3.22Å; G599-S605 WeakPolarHBondContact CA-OG 3.38Å; G599-S605 WeakPolarHBondContact O-CB 3.44Å; G599-S605 PolarHBondContact O-OG 2.98Å; K602-S605 PolarHBondContact O-N 3.04Å; L603-S605 PolarHBondContact O-N 2.76Å; L603-S605 VanDerWaalsContact O-N 3.11Å; S605-S625 WeakPolarHBondContact O-CA 3.17Å; S605-L626 PolarHBondContact O-N 3.27Å
606	Y	92.5	Very high	78.2	Confident	9 Å²	9	62.2 Å²	62.2	4%	0.035	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	111.5	-178.2	-61.1	-84.1	0	0	0	111.5	L603 E604 K608 K624 V632 L634 D669 I671 V680	L603-Y606 PolarHBondContact O-N 3.03Å; E604-Y606 VanDerWaalsContact C-N 3.26Å; E604-Y606 PolarHBondContact O-N 3.19Å; Y606-K608 PolarHBondContact O-N 2.74Å; Y606-K624 CarbonylContact C-O 3.58Å; Y606-K624 WeakPolarHBondContact CA-O 3.31Å; Y606-V632 HydrophobicContact CD1-CG2 3.93Å; Y606-V632 HydrophobicContact CE1-CG1 4.44Å; Y606-V632 HydrophobicContact CE1-CG2 4.45Å; Y606-L634 HydrophobicContact CD1-CD2 4.35Å; Y606-L634 HydrophobicContact CG-CD2 4.32Å; Y606-D669 PolarHBondContact OH-OD2 3.46Å; Y606-I671 HydrophobicContact CD2-CD1 3.54Å; Y606-I671 HydrophobicContact CE2-CD1 3.82Å; Y606-I671 HydrophobicContact CE2-CG1 4.42Å; Y606-I671 HydrophobicContact CG-CD1 4.36Å; Y606-V680 HydrophobicContact CD1-CG1 4.13Å; Y606-V680 HydrophobicContact CE1-CG1 3.59Å; Y606-V680 HydrophobicContact CE1-CG2 4.44Å; Y606-V680 HydrophobicContact CE2-CG2 4.27Å
607	A	92.3	Very high	78.8	Confident	35 Å²	35	69.1 Å²	69.1	29%	0.289	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	124.5	169.1	0	0	0	0	0	109.6	G623 K624 L626	A607-G623 CarbonylContact O-C 3.58Å; A607-G623 WeakPolarHBondContact O-CA 3.38Å; A607-K624 PolarHBondContact N-O 3.34Å; A607-K624 PolarHBondContact O-N 3.34Å; A607-L626 HydrophobicContact CB-CD2 4.16Å
608	K	94.2	Very high	80	Confident	79 Å²	79	65.3 Å²	65.3	34%	0.343	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.8	163.2	-66	-176	-175.7	178.9	0	108.2	Y606 Y621 L634 E636	Y606-K608 PolarHBondContact O-N 2.74Å; K608-Y621 HydrophobicContact CD-CD2 4.1Å; K608-Y621 HydrophobicContact CD-CE2 4.32Å; K608-Y621 HydrophobicContact CD-CG 4.24Å; K608-L634 HydrophobicContact CG-CD1 3.84Å; K608-E636 IonicContact NZ-OE1 3.29Å; K608-E636 PolarHBondContact NZ-OE1 3.44Å; K608-E636 VanDerWaalsContact NZ-OE1 3.1Å; K608-E636 IonicContact NZ-OE2 2.73Å; K608-E636 PolarHBondContact NZ-OE2 2.96Å
609	L	94.2	Very high	81.3	Confident	84 Å²	84	65.1 Å²	65.1	44%	0.44	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-117.5	178.4	-59.5	177.6	0	0	0	108.5	K622 K624 L631	L609-K622 WeakPolarHBondContact CA-O 3.42Å; L609-K622 HydrophobicContact CB-CB 4.49Å; L609-K622 HydrophobicContact CB-CG 4.42Å; L609-K622 WeakPolarHBondContact CB-O 3.33Å; L609-K622 HydrophobicContact CD1-CG 4.43Å; L609-K622 PolarHBondContact N-O 3.12Å; L609-K624 HydrophobicContact CD1-CB 4.12Å; L609-L631 HydrophobicContact CD1-CD2 3.92Å
610	D	93.7	Very high	82.7	Confident	88 Å²	88	66.7 Å²	66.7	47%	0.471	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	149.4	-177.8	-44.5	-66.7	0	0	0	112.3	Y621 K622	D610-Y621 CarbonylContact O-C 3.58Å; D610-Y621 WeakPolarHBondContact O-CA 3.2Å; D610-K622 HydrophobicContact CB-CB 4.23Å; D610-K622 HydrophobicContact CB-CD 4.48Å; D610-K622 PolarHBondContact O-N 2.96Å; D610-K622 VanDerWaalsContact OD2-CD 3.29Å; D610-K622 WeakPolarHBondContact OD2-CD 3.49Å; D610-K622 VanDerWaalsContact OD2-CE 3.32Å; D610-K622 WeakPolarHBondContact OD2-CE 3.38Å; D610-K622 IonicContact OD2-NZ 3.23Å; D610-K622 PolarHBondContact OD2-NZ 3.09Å
611	L	93.5	Very high	84.2	Confident	99 Å²	99	69 Å²	69	52%	0.518	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.9	165.3	177.3	64.6	0	0	0	109.1	T619 Y621	L611-T619 HydrophobicContact CD1-CG2 3.43Å; L611-T619 VanDerWaalsContact CD1-CG2 3.43Å; L611-Y621 HydrophobicContact CB-CD1 4.45Å; L611-Y621 HydrophobicContact CD1-CD1 4.09Å; L611-Y621 HydrophobicContact CD1-CE1 3.89Å
612	L	89.6	Confident	85.8	Confident	83 Å²	83	69.8 Å²	69.8	44%	0.435	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-32.1	176.7	-66.2	171.5	0	0	0	112.3	V620 K622 Y683	L612-V620 HydrophobicContact CB-CG1 4.3Å; L612-V620 WeakPolarHBondContact CB-O 3.49Å; L612-V620 HydrophobicContact CD1-CG1 4.26Å; L612-V620 PolarHBondContact N-O 3.12Å; L612-K622 HydrophobicContact CD1-CB 3.84Å; L612-K622 HydrophobicContact CD2-CB 4.05Å; L612-K622 HydrophobicContact CG-CB 3.82Å; L612-Y683 HydrophobicContact CD1-CD2 4.19Å; L612-Y683 HydrophobicContact CD1-CE2 3.86Å; L612-Y683 HydrophobicContact CD2-CE2 4.11Å
613	G	84.7	Confident	86.9	Confident	30 Å²	30	65.8 Å²	65.8	31%	0.309	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177.9	163.2	177	0	0	0	0	0	113.4	V620	G613-V620 PolarHBondContact N-O 3.42Å; G613-V620 PolarHBondContact O-N 3.23Å
614	Q	84	Confident	87.7	Confident	134 Å²	134	65.8 Å²	65.8	63%	0.626	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	124.4	177.2	-176.6	178.2	-24.3	0	0	109	T619	Q614-T619 HydrophobicContact CB-CG2 4.35Å; Q614-T619 HydrophobicContact CG-CG2 4.4Å
615	G	73.1	Confident	88.2	Confident	47 Å²	47	58.6 Å²	58.6	49%	0.485	31%	0.313	S	S	.	.			trans	-115.5	176.4	170.2	0	0	0	0	0	111.1	Y617 A618	G615-Y617 VanDerWaalsContact C-N 3.3Å; G615-Y617 PolarHBondContact O-N 3.37Å; G615-A618 PolarHBondContact N-O 2.86Å; G615-A618 PolarHBondContact O-N 3.3Å
616	T	69.3	Low	88.4	Confident	124 Å²	124	62.4 Å²	62.4	76%	0.761	33%	0.332	S	S	*	.	S	Bend	trans	-51.5	-43.6	-173.5	-40.1	0	0	0	0	113.8
617	Y	71	Confident	88.1	Confident	187 Å²	187	62.9 Å²	62.9	73%	0.733	34%	0.335	S	S	*	.	S	Bend	trans	-105.8	-12.6	-173.2	-54	-70.4	0	0	0	114.4	G615 R638	G615-Y617 VanDerWaalsContact C-N 3.3Å; G615-Y617 PolarHBondContact O-N 3.37Å; Y617-R638 PolarHBondContact O-N 3.2Å
618	A	81.3	Confident	87.8	Confident	10 Å²	10	62.3 Å²	62.3	8%	0.083	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	144.2	-169.3	0	0	0	0	0	113.1	G615 K635 E636 I637	G615-A618 PolarHBondContact N-O 2.86Å; G615-A618 PolarHBondContact O-N 3.3Å; A618-K635 HydrophobicContact CB-CD 4.49Å; A618-K635 HydrophobicContact CB-CG 4.04Å; A618-E636 CarbonylContact C-O 3.36Å; A618-E636 VanDerWaalsContact CA-O 3.24Å; A618-E636 WeakPolarHBondContact CA-O 3.29Å; A618-I637 HydrophobicContact CB-CG1 4.07Å
619	T	87	Confident	87.6	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.1	172.4	-46.9	0	0	0	0	108.8	L611 Q614 Y621 E636	L611-T619 HydrophobicContact CD1-CG2 3.43Å; L611-T619 VanDerWaalsContact CD1-CG2 3.43Å; Q614-T619 HydrophobicContact CB-CG2 4.35Å; Q614-T619 HydrophobicContact CG-CG2 4.4Å; T619-Y621 HydrophobicContact CG2-CD2 4.4Å; T619-Y621 HydrophobicContact CG2-CE1 4.26Å; T619-Y621 HydrophobicContact CG2-CE2 3.65Å; T619-E636 PolarHBondContact N-O 3.02Å; T619-E636 PolarHBondContact O-N 2.9Å
620	V	90.8	Very high	87.5	Confident	38 Å²	38	63.1 Å²	63.1	23%	0.23	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.3	-177.6	-172.1	0	0	0	0	109.2	L612 G613 L634 K635	L612-V620 HydrophobicContact CB-CG1 4.3Å; L612-V620 WeakPolarHBondContact CB-O 3.49Å; L612-V620 HydrophobicContact CD1-CG1 4.26Å; L612-V620 PolarHBondContact N-O 3.12Å; G613-V620 PolarHBondContact N-O 3.42Å; G613-V620 PolarHBondContact O-N 3.23Å; V620-L634 WeakPolarHBondContact CA-O 3.43Å; V620-K635 HydrophobicContact CG2-CB 4.17Å; V620-K635 HydrophobicContact CG2-CD 4.24Å; V620-K635 HydrophobicContact CG2-CG 4.01Å
621	Y	94.7	Very high	87.6	Confident	59 Å²	59	62.5 Å²	62.5	23%	0.231	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	144.4	173.9	-57.6	-88.3	0	0	0	110.3	K608 D610 L611 T619 L634 E636	K608-Y621 HydrophobicContact CD-CD2 4.1Å; K608-Y621 HydrophobicContact CD-CE2 4.32Å; K608-Y621 HydrophobicContact CD-CG 4.24Å; D610-Y621 CarbonylContact O-C 3.58Å; D610-Y621 WeakPolarHBondContact O-CA 3.2Å; L611-Y621 HydrophobicContact CB-CD1 4.45Å; L611-Y621 HydrophobicContact CD1-CD1 4.09Å; L611-Y621 HydrophobicContact CD1-CE1 3.89Å; T619-Y621 HydrophobicContact CG2-CD2 4.4Å; T619-Y621 HydrophobicContact CG2-CE1 4.26Å; T619-Y621 HydrophobicContact CG2-CE2 3.65Å; Y621-L634 PolarHBondContact N-O 3.24Å; Y621-L634 PolarHBondContact O-N 3.34Å; Y621-E636 HydrophobicContact CE2-CB 4.47Å; Y621-E636 WeakPolarHBondContact CE2-OE2 3.38Å
622	K	95.6	Very high	87.6	Confident	45 Å²	45	57.9 Å²	57.9	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	141.9	155	-178	169.8	149.9	-149.6	0	107	L609 D610 L612 Y683	L609-K622 WeakPolarHBondContact CA-O 3.42Å; L609-K622 HydrophobicContact CB-CB 4.49Å; L609-K622 HydrophobicContact CB-CG 4.42Å; L609-K622 WeakPolarHBondContact CB-O 3.33Å; L609-K622 HydrophobicContact CD1-CG 4.43Å; L609-K622 PolarHBondContact N-O 3.12Å; D610-K622 HydrophobicContact CB-CB 4.23Å; D610-K622 HydrophobicContact CB-CD 4.48Å; D610-K622 PolarHBondContact O-N 2.96Å; D610-K622 VanDerWaalsContact OD2-CD 3.29Å; D610-K622 WeakPolarHBondContact OD2-CD 3.49Å; D610-K622 VanDerWaalsContact OD2-CE 3.32Å; D610-K622 WeakPolarHBondContact OD2-CE 3.38Å; D610-K622 IonicContact OD2-NZ 3.23Å; D610-K622 PolarHBondContact OD2-NZ 3.09Å; L612-K622 HydrophobicContact CD1-CB 3.84Å; L612-K622 HydrophobicContact CD2-CB 4.05Å; L612-K622 HydrophobicContact CG-CB 3.82Å; K622-Y683 HydrophobicContact CB-CE2 4.32Å; K622-Y683 HydrophobicContact CD-CD2 4.46Å; K622-Y683 HydrophobicContact CD-CE2 3.79Å; K622-Y683 HydrophobicContact CG-CD2 4.1Å; K622-Y683 HydrophobicContact CG-CE2 3.88Å
623	G	95.4	Very high	87.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	178.3	176.7	0	0	0	0	0	111.8	A607 L631 V632	A607-G623 CarbonylContact O-C 3.58Å; A607-G623 WeakPolarHBondContact O-CA 3.38Å; G623-L631 CarbonylContact O-C 3.56Å; G623-L631 VanDerWaalsContact O-CA 3.32Å; G623-L631 WeakPolarHBondContact O-CA 3.33Å; G623-L631 WeakPolarHBondContact O-CD2 3.36Å; G623-V632 PolarHBondContact N-O 3.2Å; G623-V632 PolarHBondContact O-N 3.01Å
624	K	95.3	Very high	88.2	Confident	61 Å²	61	53.2 Å²	53.2	27%	0.265	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.3	173.2	-173.3	-172.6	-180	-155.6	0	108.7	Y606 A607 L609 E629 T630 L631	Y606-K624 CarbonylContact C-O 3.58Å; Y606-K624 WeakPolarHBondContact CA-O 3.31Å; A607-K624 PolarHBondContact N-O 3.34Å; A607-K624 PolarHBondContact O-N 3.34Å; L609-K624 HydrophobicContact CD1-CB 4.12Å; K624-E629 VanDerWaalsContact CE-CD 3.43Å; K624-E629 WeakPolarHBondContact CE-O 3.49Å; K624-E629 WeakPolarHBondContact CE-OE1 3.48Å; K624-E629 WeakPolarHBondContact CE-OE2 3.37Å; K624-E629 IonicContact NZ-OE1 3.87Å; K624-E629 PolarHBondContact NZ-OE1 3.04Å; K624-E629 IonicContact NZ-OE2 3.76Å; K624-E629 PolarHBondContact NZ-OE2 3.43Å; K624-T630 WeakPolarHBondContact CA-O 3.31Å; K624-L631 HydrophobicContact CB-CD2 4.38Å
625	S	93.2	Very high	88.5	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129	170.1	-175.1	0	0	0	0	109.5	S605 L627 T628 E629 T630	S605-S625 WeakPolarHBondContact O-CA 3.17Å; S625-L627 PolarHBondContact O-N 2.78Å; S625-L627 PolarHBondContact OG-N 3.47Å; S625-T628 WeakPolarHBondContact CB-OG1 3.4Å; S625-E629 WeakPolarHBondContact O-CA 3.45Å; S625-E629 PolarHBondContact O-N 3.3Å; S625-T630 PolarHBondContact N-O 3.3Å
626	L	90.3	Very high	89.2	Confident	94 Å²	94	47.5 Å²	47.5	49%	0.492	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.7	174.8	-54.2	-175.6	0	0	0	112.4	S605 A607	S605-L626 PolarHBondContact O-N 3.27Å; A607-L626 HydrophobicContact CB-CD2 4.16Å
627	L	86.4	Confident	89.8	Confident	19 Å²	19	43.8 Å²	43.8	10%	0.099	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-32	179.9	-53.8	-178.6	0	0	0	112.8	P571 L574 I598 F600 S625	P571-L627 WeakPolarHBondContact CD-O 3.44Å; P571-L627 WeakPolarHBondContact CG-O 3.45Å; L574-L627 HydrophobicContact CD1-CB 4.15Å; L574-L627 HydrophobicContact CD1-CD2 4.34Å; L574-L627 WeakPolarHBondContact CD1-O 3.11Å; I598-L627 WeakPolarHBondContact O-CD2 3.49Å; F600-L627 HydrophobicContact CD1-CD1 4.49Å; F600-L627 HydrophobicContact CD2-CD1 3.97Å; F600-L627 HydrophobicContact CE1-CD1 4.19Å; F600-L627 HydrophobicContact CE2-CD1 3.63Å; F600-L627 HydrophobicContact CG-CD1 4.38Å; F600-L627 HydrophobicContact CZ-CD1 3.74Å; S625-L627 PolarHBondContact O-N 2.78Å; S625-L627 PolarHBondContact OG-N 3.47Å
628	T	87.3	Confident	90.1	Very high	22 Å²	22	42.5 Å²	42.5	14%	0.135	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-6.2	-179.9	54.8	0	0	0	0	113.2	I568 S625 T630	I568-T628 HydrophobicContact CG2-CG2 3.81Å; S625-T628 WeakPolarHBondContact CB-OG1 3.4Å; T628-T630 PolarHBondContact O-N 3.37Å; T628-T630 PolarHBondContact OG1-OG1 2.87Å
629	E	89.3	Confident	89.6	Confident	110 Å²	110	42.9 Å²	42.9	51%	0.514	21%	0.208	S	C	.	.			trans	59.8	4.2	-170.9	-66.6	-77.1	82.7	0	0	115.2	K624 S625	K624-E629 VanDerWaalsContact CE-CD 3.43Å; K624-E629 WeakPolarHBondContact CE-O 3.49Å; K624-E629 WeakPolarHBondContact CE-OE1 3.48Å; K624-E629 WeakPolarHBondContact CE-OE2 3.37Å; K624-E629 IonicContact NZ-OE1 3.87Å; K624-E629 PolarHBondContact NZ-OE1 3.04Å; K624-E629 IonicContact NZ-OE2 3.76Å; K624-E629 PolarHBondContact NZ-OE2 3.43Å; S625-E629 WeakPolarHBondContact O-CA 3.45Å; S625-E629 PolarHBondContact O-N 3.3Å
630	T	92.1	Very high	88.7	Confident	71 Å²	71	50.6 Å²	50.6	44%	0.436	24%	0.244	S	C	.	.			trans	-81	147.6	-178.5	58.6	0	0	0	0	112.7	K624 S625 T628	K624-T630 WeakPolarHBondContact CA-O 3.31Å; S625-T630 PolarHBondContact N-O 3.3Å; T628-T630 PolarHBondContact O-N 3.37Å; T628-T630 PolarHBondContact OG1-OG1 2.87Å
631	L	95.1	Very high	87.1	Confident	74 Å²	74	56 Å²	56	39%	0.387	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	144.4	169.5	-64.4	177.7	0	0	0	111.3	L609 G623 K624 Y683	L609-L631 HydrophobicContact CD1-CD2 3.92Å; G623-L631 CarbonylContact O-C 3.56Å; G623-L631 VanDerWaalsContact O-CA 3.32Å; G623-L631 WeakPolarHBondContact O-CA 3.33Å; G623-L631 WeakPolarHBondContact O-CD2 3.36Å; K624-L631 HydrophobicContact CB-CD2 4.38Å; L631-Y683 HydrophobicContact CB-CD1 3.98Å; L631-Y683 HydrophobicContact CB-CG 4.03Å; L631-Y683 HydrophobicContact CD1-CD1 3.9Å; L631-Y683 HydrophobicContact CD1-CE1 4.15Å
632	V	95	Very high	85.5	Confident	3 Å²	3	61.2 Å²	61.2	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	159.9	178.9	-67.4	0	0	0	0	110.6	Y606 G623 L634 V680 F681	Y606-V632 HydrophobicContact CD1-CG2 3.93Å; Y606-V632 HydrophobicContact CE1-CG1 4.44Å; Y606-V632 HydrophobicContact CE1-CG2 4.45Å; G623-V632 PolarHBondContact N-O 3.2Å; G623-V632 PolarHBondContact O-N 3.01Å; V632-L634 HydrophobicContact CG2-CD2 3.88Å; V632-L634 HydrophobicContact CG2-CG 4.08Å; V632-V680 HydrophobicContact CB-CG1 3.9Å; V632-V680 HydrophobicContact CG1-CG1 3.9Å; V632-V680 HydrophobicContact CG2-CG1 4.19Å; V632-F681 CarbonylContact C-O 3.42Å; V632-F681 WeakPolarHBondContact CA-O 3.46Å; V632-F681 WeakPolarHBondContact CB-O 3.49Å
633	A	94.5	Very high	83.4	Confident	15 Å²	15	65.6 Å²	65.6	12%	0.124	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120	167.6	0	0	0	0	0	109.6	F681	A633-F681 HydrophobicContact CB-CB 4.28Å; A633-F681 PolarHBondContact N-O 2.89Å; A633-F681 PolarHBondContact O-N 3.37Å
634	L	92.7	Very high	81.5	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	94	-176.5	-59.4	173.5	0	0	0	108.8	Y606 K608 V620 Y621 V632 E636 T678 V680	Y606-L634 HydrophobicContact CD1-CD2 4.35Å; Y606-L634 HydrophobicContact CG-CD2 4.32Å; K608-L634 HydrophobicContact CG-CD1 3.84Å; V620-L634 WeakPolarHBondContact CA-O 3.43Å; Y621-L634 PolarHBondContact N-O 3.24Å; Y621-L634 PolarHBondContact O-N 3.34Å; V632-L634 HydrophobicContact CG2-CD2 3.88Å; V632-L634 HydrophobicContact CG2-CG 4.08Å; L634-E636 PolarHBondContact O-N 2.9Å; L634-T678 HydrophobicContact CB-CG2 4Å; L634-T678 HydrophobicContact CD2-CG2 4.21Å; L634-V680 HydrophobicContact CD2-CB 4.28Å; L634-V680 HydrophobicContact CD2-CG1 4Å; L634-V680 HydrophobicContact CD2-CG2 3.79Å
635	K	89	Confident	79.5	Confident	32 Å²	32	65.3 Å²	65.3	14%	0.139	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	95.5	175.7	179.7	163.4	-178.6	171.8	0	109.4	A618 V620 T678 L679 F681 D745	A618-K635 HydrophobicContact CB-CD 4.49Å; A618-K635 HydrophobicContact CB-CG 4.04Å; V620-K635 HydrophobicContact CG2-CB 4.17Å; V620-K635 HydrophobicContact CG2-CD 4.24Å; V620-K635 HydrophobicContact CG2-CG 4.01Å; K635-T678 WeakPolarHBondContact O-CA 3.36Å; K635-L679 HydrophobicContact CB-CB 4.41Å; K635-L679 PolarHBondContact N-O 2.81Å; K635-L679 PolarHBondContact O-N 2.68Å; K635-F681 HydrophobicContact CB-CD2 4.36Å; K635-F681 HydrophobicContact CB-CE2 4.19Å; K635-D745 IonicContact NZ-OD1 3.34Å; K635-D745 PolarHBondContact NZ-OD1 2.93Å; K635-D745 IonicContact NZ-OD2 3.83Å; K635-D745 PolarHBondContact NZ-OD2 2.96Å
636	E	88	Confident	77.7	Confident	29 Å²	29	67.8 Å²	67.8	14%	0.136	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	105	179.8	-175.8	163.6	-133	0	0	110.7	K608 A618 T619 Y621 L634 S676 T678	K608-E636 IonicContact NZ-OE1 3.29Å; K608-E636 PolarHBondContact NZ-OE1 3.44Å; K608-E636 VanDerWaalsContact NZ-OE1 3.1Å; K608-E636 IonicContact NZ-OE2 2.73Å; K608-E636 PolarHBondContact NZ-OE2 2.96Å; A618-E636 CarbonylContact C-O 3.36Å; A618-E636 VanDerWaalsContact CA-O 3.24Å; A618-E636 WeakPolarHBondContact CA-O 3.29Å; T619-E636 PolarHBondContact N-O 3.02Å; T619-E636 PolarHBondContact O-N 2.9Å; Y621-E636 HydrophobicContact CE2-CB 4.47Å; Y621-E636 WeakPolarHBondContact CE2-OE2 3.38Å; L634-E636 PolarHBondContact O-N 2.9Å; E636-S676 PolarHBondContact OE1-OG 3.11Å; E636-T678 WeakPolarHBondContact CG-OG1 3.02Å
637	I	82.4	Confident	76	Confident	45 Å²	45	68.1 Å²	68.1	23%	0.231	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.6	173.5	-54.3	171.5	0	0	0	107.7	A618 S676 L677 L679	A618-I637 HydrophobicContact CB-CG1 4.07Å; I637-S676 CarbonylContact O-C 3.49Å; I637-S676 WeakPolarHBondContact O-CA 3.39Å; I637-S676 WeakPolarHBondContact O-CB 3.42Å; I637-L677 HydrophobicContact CB-CB 4.44Å; I637-L677 WeakPolarHBondContact CB-O 3.22Å; I637-L677 PolarHBondContact N-O 3.35Å; I637-L677 PolarHBondContact O-N 3.39Å; I637-L679 HydrophobicContact CD1-CD1 4.06Å; I637-L679 HydrophobicContact CD1-CG 4.29Å
638	R	76.2	Confident	74.5	Confident	161 Å²	161	71.4 Å²	71.4	61%	0.608	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	145.1	176.9	-61.8	-177.1	-172.9	177.2	5.3	110	Y617	Y617-R638 PolarHBondContact O-N 3.2Å
639	L	72.3	Confident	73	Confident	18 Å²	18	72 Å²	72	9%	0.094	39%	0.387	C	S	.	.			trans	-115.5	135.9	177.1	-55.8	173.4	0	0	0	108.7	A645 K675 L677	L639-A645 HydrophobicContact CD1-CB 3.7Å; L639-A645 HydrophobicContact CD2-CB 3.9Å; L639-A645 HydrophobicContact CG-CB 4.45Å; L639-K675 PolarHBondContact N-O 3.3Å; L639-L677 HydrophobicContact CD2-CB 4.4Å
640	E	68	Low	71.7	Confident	165 Å²	165	69.3 Å²	69.3	77%	0.771	38%	0.375	S	S	*	.			trans	-79.6	136.1	170.3	-67.1	176.3	-162.8	0	0	108.1	D642 E643	E640-D642 PolarHBondContact O-N 2.87Å; E640-E643 CarbonylContact O-C 3.52Å; E640-E643 PolarHBondContact O-N 3.31Å
641	H	57.5	Low	69.9	Low	152 Å²	152	74.3 Å²	74.3	70%	0.704	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.8	-159.9	-78.4	29.7	0	0	0	114.9	K675	H641-K675 WeakPolarHBondContact CE1-CD 3.47Å; H641-K675 VanDerWaalsContact CE1-CG 3.47Å; H641-K675 WeakPolarHBondContact CE1-CG 3.28Å; H641-K675 WeakPolarHBondContact NE2-CE 3.37Å; H641-K675 PolarHBondContact NE2-NZ 3.25Å
642	D	59.5	Low	68.3	Low	168 Å²	168	73.4 Å²	73.4	90%	0.898	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-18	177.8	-56.2	-52.6	0	0	0	112.9	E640	E640-D642 PolarHBondContact O-N 2.87Å
643	E	53.1	Low	66.8	Low	136 Å²	136	74.1 Å²	74.1	64%	0.636	39%	0.385	S	S	*	.	S	Bend	trans	-110	66.9	173.5	-71.5	-151.7	177.5	0	0	111.6	E640 A645	E640-E643 CarbonylContact O-C 3.52Å; E640-E643 PolarHBondContact O-N 3.31Å; E643-A645 PolarHBondContact O-N 2.79Å
644	G	53.8	Low	65.3	Low	52 Å²	52	75.9 Å²	75.9	54%	0.536	40%	0.396	S	S	.	.			trans	-52.1	112.3	173	0	0	0	0	0	112.4
645	A	53.9	Low	63.9	Low	4 Å²	4	80.2 Å²	80.2	3%	0.033	42%	0.418	C	S	.	.	S	Bend	trans	15.9	86.5	179.3	0	0	0	0	0	114.7	L639 E643 C647 I650	L639-A645 HydrophobicContact CD1-CB 3.7Å; L639-A645 HydrophobicContact CD2-CB 3.9Å; L639-A645 HydrophobicContact CG-CB 4.45Å; E643-A645 PolarHBondContact O-N 2.79Å; A645-C647 PolarHBondContact O-N 2.89Å; A645-I650 HydrophobicContact CB-CD1 3.73Å; A645-I650 HydrophobicContact CB-CG1 4.07Å; A645-I650 WeakPolarHBondContact O-CD1 3.23Å
646	P	56.1	Low	63	Low	53 Å²	53	80 Å²	80	34%	0.344	42%	0.418	S	S	.	.			trans	-50.7	128.9	-167.3	12.5	-27.4	0	0	0	111.9	T648 A649 I650	P646-T648 CarbonylContact O-C 3.54Å; P646-T648 PolarHBondContact O-N 2.82Å; P646-A649 HydrophobicContact CG-CB 4.09Å; P646-A649 WeakPolarHBondContact O-CA 3.21Å; P646-A649 WeakPolarHBondContact O-CB 3.38Å; P646-A649 PolarHBondContact O-N 3.12Å; P646-I650 PolarHBondContact O-N 2.79Å; P646-I650 VanDerWaalsContact O-N 3.12Å
647	C	54.1	Low	62.2	Low	101 Å²	101	83.1 Å²	83.1	68%	0.682	43%	0.429	S	S	*	.	H	α-helix	trans	-59.9	-22.4	-170	-76.2	0	0	0	0	113.4	A645 R651	A645-C647 PolarHBondContact O-N 2.89Å; C647-R651 WeakPolarHBondContact O-CB 3.41Å; C647-R651 PolarHBondContact O-N 2.99Å; C647-R651 VanDerWaalsContact O-N 3.07Å
648	T	54.2	Low	61.9	Low	88 Å²	88	86.4 Å²	86.4	54%	0.54	45%	0.447	S	S	.	.	H	α-helix	trans	-64.3	-50	167.4	44.9	0	0	0	0	112	P646 R651 E652	P646-T648 CarbonylContact O-C 3.54Å; P646-T648 PolarHBondContact O-N 2.82Å; T648-R651 CarbonylContact O-C 3.55Å; T648-R651 WeakPolarHBondContact O-CB 3.22Å; T648-R651 PolarHBondContact O-N 3.23Å; T648-E652 WeakPolarHBondContact O-CB 3.47Å; T648-E652 WeakPolarHBondContact O-CG 3.46Å; T648-E652 PolarHBondContact O-N 2.88Å
649	A	56.7	Low	62.3	Low	36 Å²	36	79.3 Å²	79.3	30%	0.298	42%	0.421	S	S	.	.	H	α-helix	trans	-62.9	-44.2	177.4	0	0	0	0	0	112.2	P646 R651 E652 V653	P646-A649 HydrophobicContact CG-CB 4.09Å; P646-A649 WeakPolarHBondContact O-CA 3.21Å; P646-A649 WeakPolarHBondContact O-CB 3.38Å; P646-A649 PolarHBondContact O-N 3.12Å; A649-R651 VanDerWaalsContact C-N 3.3Å; A649-R651 PolarHBondContact O-N 3.24Å; A649-E652 PolarHBondContact O-N 3.18Å; A649-V653 WeakPolarHBondContact O-CB 3.45Å; A649-V653 VanDerWaalsContact O-CG2 3.29Å; A649-V653 WeakPolarHBondContact O-CG2 3.15Å; A649-V653 PolarHBondContact O-N 2.97Å
650	I	62.3	Low	63	Low	52 Å²	52	84.7 Å²	84.7	27%	0.267	44%	0.44	S	S	.	.	H	α-helix	trans	-60.3	-41.8	173.7	-63.3	-179.8	0	0	0	110.7	A645 P646 S654 L677	A645-I650 HydrophobicContact CB-CD1 3.73Å; A645-I650 HydrophobicContact CB-CG1 4.07Å; A645-I650 WeakPolarHBondContact O-CD1 3.23Å; P646-I650 PolarHBondContact O-N 2.79Å; P646-I650 VanDerWaalsContact O-N 3.12Å; I650-S654 VanDerWaalsContact O-CB 3.31Å; I650-S654 WeakPolarHBondContact O-CB 3.42Å; I650-S654 PolarHBondContact O-N 3.33Å; I650-S654 PolarHBondContact O-OG 3.01Å; I650-L677 HydrophobicContact CG1-CD2 4.29Å
651	R	54.7	Low	64.2	Low	176 Å²	176	77.5 Å²	77.5	66%	0.664	41%	0.407	S	S	*	.	H	α-helix	trans	-65.4	-43.6	177.2	175.6	179	-82.6	151.3	-8	111.9	C647 T648 A649 S654 L655	C647-R651 WeakPolarHBondContact O-CB 3.41Å; C647-R651 PolarHBondContact O-N 2.99Å; C647-R651 VanDerWaalsContact O-N 3.07Å; T648-R651 CarbonylContact O-C 3.55Å; T648-R651 WeakPolarHBondContact O-CB 3.22Å; T648-R651 PolarHBondContact O-N 3.23Å; A649-R651 VanDerWaalsContact C-N 3.3Å; A649-R651 PolarHBondContact O-N 3.24Å; R651-S654 WeakPolarHBondContact O-CB 3.11Å; R651-S654 PolarHBondContact O-N 3.5Å; R651-L655 PolarHBondContact O-N 3.26Å
652	E	59.5	Low	66.1	Low	56 Å²	56	70.8 Å²	70.8	26%	0.262	38%	0.378	S	S	.	.	H	α-helix	trans	-65.4	-46.2	178.2	-75.2	173.5	-164.3	0	0	111.2	T648 A649 S654 L655 L656 R750	T648-E652 WeakPolarHBondContact O-CB 3.47Å; T648-E652 WeakPolarHBondContact O-CG 3.46Å; T648-E652 PolarHBondContact O-N 2.88Å; A649-E652 PolarHBondContact O-N 3.18Å; E652-S654 VanDerWaalsContact C-N 3.26Å; E652-S654 PolarHBondContact O-N 3.06Å; E652-L655 VanDerWaalsContact O-CB 3.31Å; E652-L655 WeakPolarHBondContact O-CB 3.45Å; E652-L655 PolarHBondContact O-N 2.96Å; E652-L656 PolarHBondContact O-N 3.35Å; E652-R750 IonicContact OE1-NE 3.44Å; E652-R750 WeakPolarHBondContact OE2-CG 3.47Å; E652-R750 IonicContact OE2-NE 3.95Å; E652-R750 PolarHBondContact OE2-NE 2.68Å
653	V	65.2	Low	67.9	Low	18 Å²	18	62.9 Å²	62.9	11%	0.109	34%	0.335	C	S	.	.	H	α-helix	trans	-60.2	-36	171.5	171.3	0	0	0	0	111.6	A649 L655 L656 R657 L667 I670 L679	A649-V653 WeakPolarHBondContact O-CB 3.45Å; A649-V653 VanDerWaalsContact O-CG2 3.29Å; A649-V653 WeakPolarHBondContact O-CG2 3.15Å; A649-V653 PolarHBondContact O-N 2.97Å; V653-L655 PolarHBondContact O-N 3.07Å; V653-L656 WeakPolarHBondContact O-CB 3.32Å; V653-L656 PolarHBondContact O-N 2.99Å; V653-R657 PolarHBondContact O-N 3.32Å; V653-L667 HydrophobicContact CG1-CD2 3.98Å; V653-I670 HydrophobicContact CG1-CD1 3.77Å; V653-I670 HydrophobicContact CG1-CG1 4.27Å; V653-L679 HydrophobicContact CG1-CD1 4.07Å; V653-L679 HydrophobicContact CG1-CD2 3.6Å; V653-L679 HydrophobicContact CG1-CG 4.49Å; V653-L679 HydrophobicContact CG2-CD1 4.13Å
654	S	61.5	Low	69.9	Low	52 Å²	52	56.5 Å²	56.5	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-65.9	-22.2	175	-60.6	0	0	0	0	113.3	I650 R651 E652	I650-S654 VanDerWaalsContact O-CB 3.31Å; I650-S654 WeakPolarHBondContact O-CB 3.42Å; I650-S654 PolarHBondContact O-N 3.33Å; I650-S654 PolarHBondContact O-OG 3.01Å; R651-S654 WeakPolarHBondContact O-CB 3.11Å; R651-S654 PolarHBondContact O-N 3.5Å; E652-S654 VanDerWaalsContact C-N 3.26Å; E652-S654 PolarHBondContact O-N 3.06Å
655	L	64.5	Low	71.7	Confident	90 Å²	90	54.7 Å²	54.7	47%	0.471	28%	0.284	S	S	.	.	H	α-helix	trans	-72.2	-35.9	169.9	-59	175.3	0	0	0	111.2	R651 E652 V653 R657 N658	R651-L655 PolarHBondContact O-N 3.26Å; E652-L655 VanDerWaalsContact O-CB 3.31Å; E652-L655 WeakPolarHBondContact O-CB 3.45Å; E652-L655 PolarHBondContact O-N 2.96Å; V653-L655 PolarHBondContact O-N 3.07Å; L655-R657 PolarHBondContact O-N 3.19Å; L655-N658 WeakPolarHBondContact O-CB 3.31Å; L655-N658 PolarHBondContact O-N 2.72Å; L655-N658 VanDerWaalsContact O-N 3.09Å
656	L	69.1	Low	73.4	Confident	27 Å²	27	56.3 Å²	56.3	14%	0.141	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-30.8	175.8	-55.4	178.4	0	0	0	112.1	E652 V653 N658 L659 L667 F746	E652-L656 PolarHBondContact O-N 3.35Å; V653-L656 WeakPolarHBondContact O-CB 3.32Å; V653-L656 PolarHBondContact O-N 2.99Å; L656-N658 PolarHBondContact O-N 3.46Å; L656-N658 VanDerWaalsContact O-N 3.12Å; L656-L659 HydrophobicContact CD2-CD1 3.78Å; L656-L659 WeakPolarHBondContact O-CB 3.37Å; L656-L659 PolarHBondContact O-N 3Å; L656-L667 HydrophobicContact CB-CD2 4.39Å; L656-F746 HydrophobicContact CD1-CB 3.87Å; L656-F746 HydrophobicContact CD2-CB 3.79Å; L656-F746 HydrophobicContact CD2-CD1 4.37Å; L656-F746 HydrophobicContact CD2-CG 4.04Å
657	R	71.7	Confident	75	Confident	95 Å²	95	54.2 Å²	54.2	36%	0.358	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.6	174.6	-159.2	179.9	-169.9	-119.7	-1.2	113.4	S563 V653 L655 L667	S563-R657 PolarHBondContact O-NH1 2.96Å; S563-R657 PolarHBondContact O-NH2 3.15Å; V653-R657 PolarHBondContact O-N 3.32Å; L655-R657 PolarHBondContact O-N 3.19Å; R657-L667 HydrophobicContact CB-CD2 4.24Å
658	N	76.6	Confident	76.5	Confident	115 Å²	115	50.3 Å²	50.3	62%	0.615	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.7	176	-64.4	-28.9	0	0	0	113.5	L655 L656 R660	L655-N658 WeakPolarHBondContact O-CB 3.31Å; L655-N658 PolarHBondContact O-N 2.72Å; L655-N658 VanDerWaalsContact O-N 3.09Å; L656-N658 PolarHBondContact O-N 3.46Å; L656-N658 VanDerWaalsContact O-N 3.12Å; N658-R660 PolarHBondContact O-N 3.41Å
659	L	83.5	Confident	77.9	Confident	11 Å²	11	47 Å²	47	6%	0.058	23%	0.23	C	C	.	.			trans	-80.9	99.5	176.8	-58.3	-179.2	0	0	0	109.9	L656 I664 Y717 I723 F746	L656-L659 HydrophobicContact CD2-CD1 3.78Å; L656-L659 WeakPolarHBondContact O-CB 3.37Å; L656-L659 PolarHBondContact O-N 3Å; L659-I664 HydrophobicContact CB-CD1 4.41Å; L659-I664 HydrophobicContact CB-CG2 4.27Å; L659-Y717 HydrophobicContact CB-CE1 4.34Å; L659-Y717 HydrophobicContact CD2-CD1 4.48Å; L659-Y717 HydrophobicContact CD2-CE1 3.88Å; L659-I723 HydrophobicContact CD1-CD1 3.81Å; L659-I723 HydrophobicContact CD2-CD1 3.7Å; L659-I723 HydrophobicContact CG-CD1 4.21Å; L659-F746 HydrophobicContact CD1-CE1 4.46Å
660	R	87.1	Confident	79.2	Confident	131 Å²	131	47.1 Å²	47.1	49%	0.494	23%	0.226	S	C	.	.			trans	-117.8	93.6	-179.6	-65.2	-169.8	61.9	-150.1	-12.9	109.1	N658 Y717	N658-R660 PolarHBondContact O-N 3.41Å; R660-Y717 PolarHBondContact N-OH 2.81Å; R660-Y717 WeakPolarHBondContact O-CE2 3.47Å; R660-Y717 VanDerWaalsContact O-CZ 3.32Å; R660-Y717 PolarHBondContact O-OH 2.8Å
661	H	94.2	Very high	80.2	Confident	14 Å²	14	44.8 Å²	44.8	7%	0.065	21%	0.213	C	C	.	.			trans	-149.9	138.1	-179.3	-175.2	-95.3	0	0	0	109.7	N663 I664 Y717 A906	H661-N663 PolarHBondContact CE1-OD1 2.69Å; H661-N663 PolarHBondContact ND1-N 3.39Å; H661-N663 VanDerWaalsContact ND1-N 3.14Å; H661-N663 PolarHBondContact O-N 2.84Å; H661-N663 VanDerWaalsContact O-N 3.11Å; H661-I664 HydrophobicContact CB-CB 4.25Å; H661-I664 HydrophobicContact CB-CD1 3.82Å; H661-I664 HydrophobicContact CB-CG1 3.97Å; H661-I664 PolarHBondContact O-N 3.2Å; H661-Y717 HydrophobicContact CB-CD1 3.88Å; H661-Y717 HydrophobicContact CB-CD2 3.93Å; H661-Y717 HydrophobicContact CB-CE1 4Å; H661-Y717 HydrophobicContact CB-CE2 4.02Å; H661-Y717 HydrophobicContact CB-CG 3.84Å; H661-Y717 AromaticContact CD2-CD2 3.51Å; H661-Y717 AromaticContact CD2-CG 3.76Å; H661-Y717 AromaticContact CG-CD2 3.95Å; H661-Y717 AromaticContact CG-CG 3.87Å; H661-A906 CarbonylContact C-O 3.43Å; H661-A906 VanDerWaalsContact CA-O 3.23Å; H661-A906 WeakPolarHBondContact CA-O 3.13Å; H661-A906 PolarHBondContact CD2-O 2.97Å
662	A	96.1	Very high	81.5	Confident	12 Å²	12	41 Å²	41	10%	0.099	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.7	-174.6	0	0	0	0	0	113.5	K742 A906 S908	A662-K742 WeakPolarHBondContact O-CE 3.36Å; A662-A906 PolarHBondContact N-O 2.95Å; A662-S908 WeakPolarHBondContact CB-O 3.29Å
663	N	97.5	Very high	82.6	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	26.5	178.6	-50.7	106	0	0	0	113.5	H661 Q710 R713 L741 L743	H661-N663 PolarHBondContact CE1-OD1 2.69Å; H661-N663 PolarHBondContact ND1-N 3.39Å; H661-N663 VanDerWaalsContact ND1-N 3.14Å; H661-N663 PolarHBondContact O-N 2.84Å; H661-N663 VanDerWaalsContact O-N 3.11Å; N663-Q710 WeakPolarHBondContact CB-O 3.12Å; N663-Q710 WeakPolarHBondContact ND2-CB 3.02Å; N663-Q710 WeakPolarHBondContact ND2-CG 3.44Å; N663-Q710 PolarHBondContact ND2-OE1 2.71Å; N663-R713 PolarHBondContact OD1-NH1 3.47Å; N663-L741 VanDerWaalsContact CA-O 3.31Å; N663-L741 WeakPolarHBondContact CA-O 3.35Å; N663-L741 VanDerWaalsContact CB-O 3.3Å; N663-L741 WeakPolarHBondContact CB-O 3.31Å; N663-L741 PolarHBondContact ND2-O 2.6Å; N663-L743 PolarHBondContact O-N 2.94Å
664	I	94.7	Very high	83.1	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.015	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-129.7	139.7	171.9	-64.2	-179.1	0	0	0	107.6	L659 H661 T666 Y717 C718 L743 F746	L659-I664 HydrophobicContact CB-CD1 4.41Å; L659-I664 HydrophobicContact CB-CG2 4.27Å; H661-I664 HydrophobicContact CB-CB 4.25Å; H661-I664 HydrophobicContact CB-CD1 3.82Å; H661-I664 HydrophobicContact CB-CG1 3.97Å; H661-I664 PolarHBondContact O-N 3.2Å; I664-T666 PolarHBondContact O-N 3.01Å; I664-Y717 HydrophobicContact CD1-CD1 3.58Å; I664-Y717 HydrophobicContact CD1-CE1 4.1Å; I664-Y717 HydrophobicContact CD1-CG 4.42Å; I664-C718 VanDerWaalsContact CD1-SG 3.5Å; I664-L743 HydrophobicContact CG1-CB 4.42Å; I664-L743 HydrophobicContact CG1-CD1 4.31Å; I664-F746 HydrophobicContact CG2-CE2 3.79Å; I664-F746 HydrophobicContact CG2-CZ 3.98Å
665	V	92.8	Very high	84	Confident	13 Å²	13	50.3 Å²	50.3	8%	0.079	24%	0.241	C	C	.	.			trans	-69.5	120.9	175.9	174.7	0	0	0	0	110.2	L667 F681 E682 L734 K742 L743 A744	V665-L667 PolarHBondContact O-N 3.41Å; V665-F681 HydrophobicContact CG1-CB 3.8Å; V665-F681 HydrophobicContact CG1-CD1 3.83Å; V665-F681 HydrophobicContact CG1-CG 4.12Å; V665-E682 HydrophobicContact CG1-CG 3.77Å; V665-L734 HydrophobicContact CG2-CD1 3.99Å; V665-K742 HydrophobicContact CG2-CB 3.68Å; V665-K742 HydrophobicContact CG2-CD 4.48Å; V665-L743 WeakPolarHBondContact CG2-O 3.39Å; V665-L743 PolarHBondContact N-O 2.96Å; V665-A744 HydrophobicContact CG2-CB 3.79Å
666	T	90	Very high	84.8	Confident	39 Å²	39	46.4 Å²	46.4	24%	0.239	22%	0.221	C	C	.	.			trans	-68.2	123.6	-178.1	-51.2	0	0	0	0	111.5	I664 H668 F681 E682	I664-T666 PolarHBondContact O-N 3.01Å; T666-H668 PolarHBondContact O-N 2.78Å; T666-F681 CarbonylContact O-C 3.56Å; T666-F681 VanDerWaalsContact O-CA 3.31Å; T666-F681 WeakPolarHBondContact O-CA 3.45Å; T666-E682 VanDerWaalsContact CB-OE1 3.22Å; T666-E682 WeakPolarHBondContact CB-OE1 3.25Å; T666-E682 PolarHBondContact N-OE1 2.93Å; T666-E682 PolarHBondContact O-N 3.05Å; T666-E682 PolarHBondContact OG1-OE1 2.61Å
667	L	88.2	Confident	85.5	Confident	9 Å²	9	45.4 Å²	45.4	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	107.5	165.2	-179.6	64.2	0	0	0	109.2	V653 L656 R657 V665 I670 L679 F681	V653-L667 HydrophobicContact CG1-CD2 3.98Å; L656-L667 HydrophobicContact CB-CD2 4.39Å; R657-L667 HydrophobicContact CB-CD2 4.24Å; V665-L667 PolarHBondContact O-N 3.41Å; L667-I670 HydrophobicContact CD1-CG1 4.47Å; L667-I670 HydrophobicContact CD2-CD1 4.13Å; L667-I670 HydrophobicContact CD2-CG1 4.12Å; L667-I670 HydrophobicContact CG-CG1 4.49Å; L667-L679 HydrophobicContact CD1-CB 4Å; L667-F681 HydrophobicContact CB-CD1 4.05Å; L667-F681 HydrophobicContact CB-CE1 3.88Å; L667-F681 HydrophobicContact CD1-CD1 4.03Å; L667-F681 HydrophobicContact CD1-CE1 3.79Å; L667-F681 HydrophobicContact CD1-CE2 4.34Å; L667-F681 HydrophobicContact CD1-CG 4.41Å; L667-F681 HydrophobicContact CD1-CZ 3.96Å; L667-F681 HydrophobicContact CG-CE1 4.36Å
668	H	85.4	Confident	86.2	Confident	19 Å²	19	40.9 Å²	40.9	9%	0.088	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-52.5	178.7	-66.3	-63.2	0	0	0	112.1	P565 S567 I568 T666 V680 E682	P565-H668 HydrophobicContact CG-CB 4.18Å; P565-H668 WeakPolarHBondContact CG-O 3.47Å; S567-H668 PolarHBondContact OG-CE1 2.8Å; I568-H668 HydrophobicContact CD1-CB 4.17Å; T666-H668 PolarHBondContact O-N 2.78Å; H668-V680 WeakPolarHBondContact CA-O 3.43Å; H668-V680 HydrophobicContact CB-CG1 4.39Å; H668-V680 WeakPolarHBondContact CB-O 3.43Å; H668-V680 PolarHBondContact N-O 2.83Å; H668-E682 PolarHBondContact CD2-N 3.13Å; H668-E682 WeakPolarHBondContact NE2-CA 3.42Å; H668-E682 WeakPolarHBondContact NE2-CB 3.29Å
669	D	84.4	Confident	86.7	Confident	17 Å²	17	35.8 Å²	35.8	9%	0.091	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	163.1	-169.8	-160.5	12.9	0	0	0	112.7	G601 Y606 V680	G601-D669 PolarHBondContact N-OD2 3.14Å; Y606-D669 PolarHBondContact OH-OD2 3.46Å; D669-V680 HydrophobicContact CB-CB 3.94Å; D669-V680 HydrophobicContact CB-CG2 4.01Å; D669-V680 PolarHBondContact N-O 3.18Å; D669-V680 PolarHBondContact O-N 3.35Å
670	I	83.5	Confident	87	Confident	40 Å²	40	35.2 Å²	35.2	21%	0.205	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	108.7	-179.9	-56.1	170	0	0	0	108.1	V653 L667 L677 L679	V653-I670 HydrophobicContact CG1-CD1 3.77Å; V653-I670 HydrophobicContact CG1-CG1 4.27Å; L667-I670 HydrophobicContact CD1-CG1 4.47Å; L667-I670 HydrophobicContact CD2-CD1 4.13Å; L667-I670 HydrophobicContact CD2-CG1 4.12Å; L667-I670 HydrophobicContact CG-CG1 4.49Å; I670-L677 HydrophobicContact CG2-CD1 3.67Å; I670-L679 HydrophobicContact CG1-CD2 4.38Å; I670-L679 HydrophobicContact CG2-CD2 4.06Å
671	I	84.8	Confident	87.2	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.5	178.8	-56.8	159	0	0	0	107.7	L603 Y606 T678 V680	L603-I671 HydrophobicContact CB-CG2 4.15Å; L603-I671 HydrophobicContact CD1-CD1 4.37Å; Y606-I671 HydrophobicContact CD2-CD1 3.54Å; Y606-I671 HydrophobicContact CE2-CD1 3.82Å; Y606-I671 HydrophobicContact CE2-CG1 4.42Å; Y606-I671 HydrophobicContact CG-CD1 4.36Å; I671-T678 HydrophobicContact CD1-CG2 4.41Å; I671-T678 PolarHBondContact N-O 3.01Å; I671-T678 PolarHBondContact O-N 2.66Å; I671-V680 HydrophobicContact CD1-CG2 3.56Å; I671-V680 HydrophobicContact CG1-CG2 4.06Å
672	H	81.2	Confident	87.1	Confident	98 Å²	98	31.3 Å²	31.3	45%	0.454	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.2	176.5	174.2	38.6	0	0	0	109.8	L677	H672-L677 HydrophobicContact CB-CD1 4.05Å
673	T	81.8	Confident	87	Confident	47 Å²	47	33.3 Å²	33.3	29%	0.288	16%	0.161	S	C	.	.			trans	-114.8	166.6	166.3	77.1	0	0	0	0	109	K675 S676	T673-K675 PolarHBondContact O-N 2.83Å; T673-K675 PolarHBondContact OG1-N 3.13Å; T673-S676 PolarHBondContact N-O 3.38Å; T673-S676 PolarHBondContact O-N 3.15Å; T673-S676 VanDerWaalsContact O-O 3.12Å; T673-S676 PolarHBondContact OG1-N 3.44Å; T673-S676 PolarHBondContact OG1-O 2.99Å; T673-S676 PolarHBondContact OG1-OG 3.34Å
674	E	77	Confident	86.9	Confident	164 Å²	164	33.9 Å²	33.9	77%	0.766	17%	0.165	S	C	*	.	S	Bend	trans	-53.1	-28.3	175.1	-61.9	172	170.3	0	0	113.3
675	K	79.5	Confident	86.7	Confident	109 Å²	109	37.5 Å²	37.5	47%	0.474	18%	0.182	S	C	.	.	S	Bend	trans	-116.8	-11.5	-169.2	-53.7	-174.6	-179.3	-177.9	0	114	L639 H641 T673	L639-K675 PolarHBondContact N-O 3.3Å; H641-K675 WeakPolarHBondContact CE1-CD 3.47Å; H641-K675 VanDerWaalsContact CE1-CG 3.47Å; H641-K675 WeakPolarHBondContact CE1-CG 3.28Å; H641-K675 WeakPolarHBondContact NE2-CE 3.37Å; H641-K675 PolarHBondContact NE2-NZ 3.25Å; T673-K675 PolarHBondContact O-N 2.83Å; T673-K675 PolarHBondContact OG1-N 3.13Å
676	S	82.1	Confident	86.7	Confident	8 Å²	8	39.1 Å²	39.1	6%	0.056	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	148.2	179.1	73.2	0	0	0	0	113.9	E636 I637 T673	E636-S676 PolarHBondContact OE1-OG 3.11Å; I637-S676 CarbonylContact O-C 3.49Å; I637-S676 WeakPolarHBondContact O-CA 3.39Å; I637-S676 WeakPolarHBondContact O-CB 3.42Å; T673-S676 PolarHBondContact N-O 3.38Å; T673-S676 PolarHBondContact O-N 3.15Å; T673-S676 VanDerWaalsContact O-O 3.12Å; T673-S676 PolarHBondContact OG1-N 3.44Å; T673-S676 PolarHBondContact OG1-O 2.99Å; T673-S676 PolarHBondContact OG1-OG 3.34Å
677	L	82.8	Confident	87	Confident	6 Å²	6	39.1 Å²	39.1	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	105.5	167	-177.2	68.3	0	0	0	107.9	I637 L639 I650 I670 H672 L679	I637-L677 HydrophobicContact CB-CB 4.44Å; I637-L677 WeakPolarHBondContact CB-O 3.22Å; I637-L677 PolarHBondContact N-O 3.35Å; I637-L677 PolarHBondContact O-N 3.39Å; L639-L677 HydrophobicContact CD2-CB 4.4Å; I650-L677 HydrophobicContact CG1-CD2 4.29Å; I670-L677 HydrophobicContact CG2-CD1 3.67Å; H672-L677 HydrophobicContact CB-CD1 4.05Å; L677-L679 HydrophobicContact CD2-CD2 4.33Å; L677-L679 HydrophobicContact CG-CD2 4.08Å
678	T	87.4	Confident	87.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.7	179.7	-62.5	0	0	0	0	110.6	L634 K635 E636 I671	L634-T678 HydrophobicContact CB-CG2 4Å; L634-T678 HydrophobicContact CD2-CG2 4.21Å; K635-T678 WeakPolarHBondContact O-CA 3.36Å; E636-T678 WeakPolarHBondContact CG-OG1 3.02Å; I671-T678 HydrophobicContact CD1-CG2 4.41Å; I671-T678 PolarHBondContact N-O 3.01Å; I671-T678 PolarHBondContact O-N 2.66Å
679	L	86.7	Confident	87.7	Confident	8 Å²	8	41 Å²	41	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124	175.4	-50.5	-171.7	0	0	0	109.1	K635 I637 V653 L667 I670 L677 F681	K635-L679 HydrophobicContact CB-CB 4.41Å; K635-L679 PolarHBondContact N-O 2.81Å; K635-L679 PolarHBondContact O-N 2.68Å; I637-L679 HydrophobicContact CD1-CD1 4.06Å; I637-L679 HydrophobicContact CD1-CG 4.29Å; V653-L679 HydrophobicContact CG1-CD1 4.07Å; V653-L679 HydrophobicContact CG1-CD2 3.6Å; V653-L679 HydrophobicContact CG1-CG 4.49Å; V653-L679 HydrophobicContact CG2-CD1 4.13Å; L667-L679 HydrophobicContact CD1-CB 4Å; I670-L679 HydrophobicContact CG1-CD2 4.38Å; I670-L679 HydrophobicContact CG2-CD2 4.06Å; L677-L679 HydrophobicContact CD2-CD2 4.33Å; L677-L679 HydrophobicContact CG-CD2 4.08Å; L679-F681 HydrophobicContact CB-CD2 4.1Å; L679-F681 HydrophobicContact CB-CE2 3.5Å; L679-F681 VanDerWaalsContact CB-CE2 3.5Å; L679-F681 HydrophobicContact CB-CZ 4.11Å; L679-F681 HydrophobicContact CD1-CE2 4.06Å; L679-F681 HydrophobicContact CD1-CZ 4.11Å; L679-F681 HydrophobicContact CG-CE2 4.43Å
680	V	89.8	Confident	88.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	102.5	-178.2	-173.2	0	0	0	0	109	Y606 V632 L634 H668 D669 I671	Y606-V680 HydrophobicContact CD1-CG1 4.13Å; Y606-V680 HydrophobicContact CE1-CG1 3.59Å; Y606-V680 HydrophobicContact CE1-CG2 4.44Å; Y606-V680 HydrophobicContact CE2-CG2 4.27Å; V632-V680 HydrophobicContact CB-CG1 3.9Å; V632-V680 HydrophobicContact CG1-CG1 3.9Å; V632-V680 HydrophobicContact CG2-CG1 4.19Å; L634-V680 HydrophobicContact CD2-CB 4.28Å; L634-V680 HydrophobicContact CD2-CG1 4Å; L634-V680 HydrophobicContact CD2-CG2 3.79Å; H668-V680 WeakPolarHBondContact CA-O 3.43Å; H668-V680 HydrophobicContact CB-CG1 4.39Å; H668-V680 WeakPolarHBondContact CB-O 3.43Å; H668-V680 PolarHBondContact N-O 2.83Å; D669-V680 HydrophobicContact CB-CB 3.94Å; D669-V680 HydrophobicContact CB-CG2 4.01Å; D669-V680 PolarHBondContact N-O 3.18Å; D669-V680 PolarHBondContact O-N 3.35Å; I671-V680 HydrophobicContact CD1-CG2 3.56Å; I671-V680 HydrophobicContact CG1-CG2 4.06Å
681	F	91.1	Very high	88.7	Confident	30 Å²	30	42.4 Å²	42.4	13%	0.132	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	162.9	176.2	-66.5	-80.4	0	0	0	111.8	V632 A633 K635 V665 T666 L667 L679	V632-F681 CarbonylContact C-O 3.42Å; V632-F681 WeakPolarHBondContact CA-O 3.46Å; V632-F681 WeakPolarHBondContact CB-O 3.49Å; A633-F681 HydrophobicContact CB-CB 4.28Å; A633-F681 PolarHBondContact N-O 2.89Å; A633-F681 PolarHBondContact O-N 3.37Å; K635-F681 HydrophobicContact CB-CD2 4.36Å; K635-F681 HydrophobicContact CB-CE2 4.19Å; V665-F681 HydrophobicContact CG1-CB 3.8Å; V665-F681 HydrophobicContact CG1-CD1 3.83Å; V665-F681 HydrophobicContact CG1-CG 4.12Å; T666-F681 CarbonylContact O-C 3.56Å; T666-F681 VanDerWaalsContact O-CA 3.31Å; T666-F681 WeakPolarHBondContact O-CA 3.45Å; L667-F681 HydrophobicContact CB-CD1 4.05Å; L667-F681 HydrophobicContact CB-CE1 3.88Å; L667-F681 HydrophobicContact CD1-CD1 4.03Å; L667-F681 HydrophobicContact CD1-CE1 3.79Å; L667-F681 HydrophobicContact CD1-CE2 4.34Å; L667-F681 HydrophobicContact CD1-CG 4.41Å; L667-F681 HydrophobicContact CD1-CZ 3.96Å; L667-F681 HydrophobicContact CG-CE1 4.36Å; L679-F681 HydrophobicContact CB-CD2 4.1Å; L679-F681 HydrophobicContact CB-CE2 3.5Å; L679-F681 VanDerWaalsContact CB-CE2 3.5Å; L679-F681 HydrophobicContact CB-CZ 4.11Å; L679-F681 HydrophobicContact CD1-CE2 4.06Å; L679-F681 HydrophobicContact CD1-CZ 4.11Å; L679-F681 HydrophobicContact CG-CE2 4.43Å
682	E	92.6	Very high	89.2	Confident	32 Å²	32	42.6 Å²	42.6	15%	0.15	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	143.8	163.9	62.2	178.5	120.4	0	0	110.9	V665 T666 H668 V684 K742	V665-E682 HydrophobicContact CG1-CG 3.77Å; T666-E682 VanDerWaalsContact CB-OE1 3.22Å; T666-E682 WeakPolarHBondContact CB-OE1 3.25Å; T666-E682 PolarHBondContact N-OE1 2.93Å; T666-E682 PolarHBondContact O-N 3.05Å; T666-E682 PolarHBondContact OG1-OE1 2.61Å; H668-E682 PolarHBondContact CD2-N 3.13Å; H668-E682 WeakPolarHBondContact NE2-CA 3.42Å; H668-E682 WeakPolarHBondContact NE2-CB 3.29Å; E682-V684 HydrophobicContact CG-CG2 4.45Å; E682-K742 IonicContact OE1-NZ 3.37Å; E682-K742 PolarHBondContact OE1-NZ 3.49Å; E682-K742 IonicContact OE2-NZ 3.47Å; E682-K742 PolarHBondContact OE2-NZ 3.42Å
683	Y	94.6	Very high	89.7	Confident	55 Å²	55	44.1 Å²	44.1	22%	0.216	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-84.9	134.7	173	-179.9	-101.5	0	0	0	110.7	L612 K622 L631 E685	L612-Y683 HydrophobicContact CD1-CD2 4.19Å; L612-Y683 HydrophobicContact CD1-CE2 3.86Å; L612-Y683 HydrophobicContact CD2-CE2 4.11Å; K622-Y683 HydrophobicContact CB-CE2 4.32Å; K622-Y683 HydrophobicContact CD-CD2 4.46Å; K622-Y683 HydrophobicContact CD-CE2 3.79Å; K622-Y683 HydrophobicContact CG-CD2 4.1Å; K622-Y683 HydrophobicContact CG-CE2 3.88Å; L631-Y683 HydrophobicContact CB-CD1 3.98Å; L631-Y683 HydrophobicContact CB-CG 4.03Å; L631-Y683 HydrophobicContact CD1-CD1 3.9Å; L631-Y683 HydrophobicContact CD1-CE1 4.15Å; Y683-E685 HydrophobicContact CE1-CB 4.43Å; Y683-E685 HydrophobicContact CE1-CG 4.13Å
684	V	94.3	Very high	90.1	Very high	13 Å²	13	43.8 Å²	43.8	8%	0.079	20%	0.202	C	C	.	.			trans	-129.2	137.2	174.1	-177.5	0	0	0	0	108.1	E682 R686 L734 I735 N736 K742	E682-V684 HydrophobicContact CG-CG2 4.45Å; V684-R686 PolarHBondContact O-N 3.08Å; V684-L734 HydrophobicContact CB-CB 3.78Å; V684-L734 HydrophobicContact CB-CD1 4.03Å; V684-L734 HydrophobicContact CG1-CB 3.62Å; V684-L734 HydrophobicContact CG2-CB 4.29Å; V684-L734 HydrophobicContact CG2-CD1 4.39Å; V684-I735 VanDerWaalsContact CG1-C 3.47Å; V684-N736 HydrophobicContact CG1-CB 3.97Å; V684-K742 HydrophobicContact CG2-CD 4.45Å
685	E	91	Very high	90.8	Very high	79 Å²	79	36 Å²	36	37%	0.369	17%	0.165	S	C	.	.	S	Bend	trans	-75.9	-24.3	-158.5	-52.3	95.7	112.9	0	0	115.3	Y683 N736 S737	Y683-E685 HydrophobicContact CE1-CB 4.43Å; Y683-E685 HydrophobicContact CE1-CG 4.13Å; E685-N736 WeakPolarHBondContact OE2-CA 3.41Å; E685-N736 VanDerWaalsContact OE2-CB 3.25Å; E685-N736 WeakPolarHBondContact OE2-CB 3.33Å; E685-S737 WeakPolarHBondContact OE1-CB 3.42Å; E685-S737 PolarHBondContact OE1-N 3.33Å; E685-S737 PolarHBondContact OE1-OG 3.17Å
686	R	92.8	Very high	91.2	Very high	46 Å²	46	36.8 Å²	36.8	17%	0.174	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	160.4	-176	-66.8	179.8	-63.8	154.4	10.9	111	V684 Q690 Y691 D694 L734 I735	V684-R686 PolarHBondContact O-N 3.08Å; R686-Q690 HydrophobicContact CB-CB 4.38Å; R686-Q690 HydrophobicContact CB-CG 4.45Å; R686-Q690 HydrophobicContact CG-CG 4.16Å; R686-Y691 VanDerWaalsContact NH2-CD2 3.25Å; R686-Y691 VanDerWaalsContact NH2-CE2 3.33Å; R686-D694 VanDerWaalsContact CD-OD2 3.26Å; R686-D694 WeakPolarHBondContact CD-OD2 3.28Å; R686-D694 IonicContact CZ-OD2 3.1Å; R686-D694 IonicContact NE-OD2 3.4Å; R686-D694 IonicContact NH1-OD2 2.62Å; R686-D694 PolarHBondContact NH1-OD2 3.26Å; R686-L734 CarbonylContact O-C 3.41Å; R686-L734 WeakPolarHBondContact O-CA 3.14Å; R686-I735 PolarHBondContact O-N 3.18Å
687	D	95.4	Very high	91.2	Very high	40 Å²	40	37.1 Å²	37.1	21%	0.214	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	172.7	163.3	71.7	41	0	0	0	112	K689 Q690 Y691 L733 L734	D687-K689 VanDerWaalsContact C-N 3.28Å; D687-K689 PolarHBondContact O-N 2.94Å; D687-K689 VanDerWaalsContact OD1-CA 3.25Å; D687-K689 WeakPolarHBondContact OD1-CA 3.25Å; D687-K689 WeakPolarHBondContact OD1-CB 3.3Å; D687-K689 PolarHBondContact OD1-N 2.85Å; D687-Q690 PolarHBondContact O-N 3.44Å; D687-Q690 PolarHBondContact OD1-N 2.93Å; D687-Y691 PolarHBondContact O-N 3.01Å; D687-L733 CarbonylContact C-O 3.46Å; D687-L733 WeakPolarHBondContact CA-O 3.29Å; D687-L734 HydrophobicContact CB-CD2 3.81Å
688	L	96.2	Very high	91.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.1	-27.8	178.8	174.5	63.8	0	0	0	112.6	Y691 L692 M699 P730 L733 I735 I792 M796	L688-Y691 PolarHBondContact O-N 2.89Å; L688-L692 HydrophobicContact CD1-CD1 4.24Å; L688-L692 HydrophobicContact CD1-CG 4.15Å; L688-L692 HydrophobicContact CG-CD1 4.12Å; L688-L692 HydrophobicContact CG-CG 4.49Å; L688-L692 WeakPolarHBondContact O-CB 3.28Å; L688-L692 VanDerWaalsContact O-CG 3.31Å; L688-L692 WeakPolarHBondContact O-CG 3.35Å; L688-L692 PolarHBondContact O-N 2.96Å; L688-M699 HydrophobicContact CD1-CE 3.72Å; L688-P730 HydrophobicContact CB-CB 4.08Å; L688-P730 WeakPolarHBondContact CB-O 3.48Å; L688-P730 HydrophobicContact CD2-CB 4.19Å; L688-P730 HydrophobicContact CG-CB 4.14Å; L688-P730 PolarHBondContact N-O 2.88Å; L688-L733 HydrophobicContact CB-CB 4.03Å; L688-L733 HydrophobicContact CD2-CB 4.47Å; L688-L733 HydrophobicContact CD2-CD1 3.85Å; L688-L733 PolarHBondContact N-O 2.88Å; L688-I735 HydrophobicContact CB-CD1 3.99Å; L688-I735 HydrophobicContact CD1-CD1 3.75Å; L688-I735 HydrophobicContact CG-CD1 4.47Å; L688-I792 HydrophobicContact CD2-CG2 3.7Å; L688-M796 HydrophobicContact CD1-CG 4.02Å; L688-M796 HydrophobicContact CD1-SD 4.17Å; L688-M796 HydrophobicContact CD2-CG 3.85Å; L688-M796 HydrophobicContact CD2-SD 3.99Å; L688-M796 HydrophobicContact CG-CG 4.47Å
689	K	93.7	Very high	91.9	Very high	66 Å²	66	39.8 Å²	39.8	29%	0.287	19%	0.189	S	C	.	.	H	α-helix	trans	-69.4	-43.4	176.8	-163.5	56.6	169.7	174.3	0	110.6	D687 L692 H693 P730 Q731 E795	D687-K689 VanDerWaalsContact C-N 3.28Å; D687-K689 PolarHBondContact O-N 2.94Å; D687-K689 VanDerWaalsContact OD1-CA 3.25Å; D687-K689 WeakPolarHBondContact OD1-CA 3.25Å; D687-K689 WeakPolarHBondContact OD1-CB 3.3Å; D687-K689 PolarHBondContact OD1-N 2.85Å; K689-L692 PolarHBondContact O-N 2.88Å; K689-H693 PolarHBondContact O-N 2.91Å; K689-P730 HydrophobicContact CB-CB 4.01Å; K689-P730 HydrophobicContact CD-CB 4.42Å; K689-Q731 HydrophobicContact CB-CG 4.45Å; K689-E795 IonicContact NZ-OE1 2.6Å; K689-E795 PolarHBondContact NZ-OE1 2.86Å
690	Q	93.5	Very high	92.2	Very high	85 Å²	85	41.9 Å²	41.9	40%	0.397	20%	0.198	S	C	.	.	H	α-helix	trans	-65.2	-40.6	171.4	-171.9	61.1	51.1	0	0	111.3	R686 D687 L692 H693 D694	R686-Q690 HydrophobicContact CB-CB 4.38Å; R686-Q690 HydrophobicContact CB-CG 4.45Å; R686-Q690 HydrophobicContact CG-CG 4.16Å; D687-Q690 PolarHBondContact O-N 3.44Å; D687-Q690 PolarHBondContact OD1-N 2.93Å; Q690-L692 VanDerWaalsContact C-N 3.34Å; Q690-L692 PolarHBondContact O-N 2.94Å; Q690-H693 WeakPolarHBondContact O-CB 3.34Å; Q690-H693 PolarHBondContact O-N 3.31Å; Q690-D694 PolarHBondContact NE2-OD1 3.1Å; Q690-D694 WeakPolarHBondContact O-CB 3.3Å; Q690-D694 PolarHBondContact O-N 2.9Å
691	Y	95.2	Very high	92.4	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-59.3	-44.3	175.1	-163.9	-68	0	0	0	111.7	R686 D687 L688 D694 C695 M699 F707 I735 D921	R686-Y691 VanDerWaalsContact NH2-CD2 3.25Å; R686-Y691 VanDerWaalsContact NH2-CE2 3.33Å; D687-Y691 PolarHBondContact O-N 3.01Å; L688-Y691 PolarHBondContact O-N 2.89Å; Y691-D694 PolarHBondContact O-N 3.41Å; Y691-C695 WeakPolarHBondContact CE1-SG 3.31Å; Y691-C695 PolarHBondContact O-N 2.91Å; Y691-C695 VanDerWaalsContact O-N 3.09Å; Y691-C695 PolarHBondContact O-SG 3.4Å; Y691-M699 HydrophobicContact CD1-CE 3.65Å; Y691-M699 HydrophobicContact CE1-CE 3.95Å; Y691-F707 HydrophobicContact CD1-CE2 4.37Å; Y691-F707 HydrophobicContact CD2-CZ 4.29Å; Y691-F707 AromaticContact CE1-CE2 3.97Å; Y691-F707 HydrophobicContact CE1-CE2 3.97Å; Y691-F707 HydrophobicContact CE1-CZ 4.29Å; Y691-F707 HydrophobicContact CE2-CE2 4.25Å; Y691-F707 AromaticContact CE2-CZ 3.76Å; Y691-F707 HydrophobicContact CE2-CZ 3.76Å; Y691-F707 AromaticContact CZ-CE2 3.94Å; Y691-F707 AromaticContact CZ-CZ 3.8Å; Y691-I735 HydrophobicContact CD2-CB 4.21Å; Y691-I735 HydrophobicContact CD2-CD1 3.93Å; Y691-I735 HydrophobicContact CD2-CG2 3.79Å; Y691-I735 HydrophobicContact CE2-CG2 4.01Å; Y691-I735 HydrophobicContact CG-CD1 4.08Å; Y691-D921 WeakPolarHBondContact CE1-OD2 3.08Å; Y691-D921 PolarHBondContact OH-OD2 2.82Å
692	L	93.7	Very high	92.5	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-38.1	177.1	-75.4	167.2	0	0	0	112.2	L688 K689 Q690 C695 H696 G697 M699 E795	L688-L692 HydrophobicContact CD1-CD1 4.24Å; L688-L692 HydrophobicContact CD1-CG 4.15Å; L688-L692 HydrophobicContact CG-CD1 4.12Å; L688-L692 HydrophobicContact CG-CG 4.49Å; L688-L692 WeakPolarHBondContact O-CB 3.28Å; L688-L692 VanDerWaalsContact O-CG 3.31Å; L688-L692 WeakPolarHBondContact O-CG 3.35Å; L688-L692 PolarHBondContact O-N 2.96Å; K689-L692 PolarHBondContact O-N 2.88Å; Q690-L692 VanDerWaalsContact C-N 3.34Å; Q690-L692 PolarHBondContact O-N 2.94Å; L692-C695 CarbonylContact O-C 3.57Å; L692-C695 PolarHBondContact O-N 2.62Å; L692-H696 PolarHBondContact O-N 2.9Å; L692-G697 PolarHBondContact O-N 3.03Å; L692-M699 HydrophobicContact CD2-CB 4.36Å; L692-M699 HydrophobicContact CD2-CE 3.86Å; L692-M699 HydrophobicContact CG-CE 4.33Å; L692-E795 HydrophobicContact CD1-CG 3.92Å
693	H	92.1	Very high	92.6	Very high	130 Å²	130	42.4 Å²	42.4	60%	0.602	21%	0.207	S	C	*	.	H	α-helix	trans	-62.3	-48.7	172.2	-179.6	-85.6	0	0	0	111.9	K689 Q690 C695 H696	K689-H693 PolarHBondContact O-N 2.91Å; Q690-H693 WeakPolarHBondContact O-CB 3.34Å; Q690-H693 PolarHBondContact O-N 3.31Å; H693-C695 PolarHBondContact O-N 3.18Å; H693-C695 VanDerWaalsContact O-N 3.15Å; H693-H696 PolarHBondContact O-N 3.42Å
694	D	91.2	Very high	92.7	Very high	40 Å²	40	39.8 Å²	39.8	21%	0.214	20%	0.197	C	C	.	.	H	α-helix	trans	-59.4	-25.9	176.9	-67	-6.3	0	0	0	113.1	R686 Q690 Y691	R686-D694 VanDerWaalsContact CD-OD2 3.26Å; R686-D694 WeakPolarHBondContact CD-OD2 3.28Å; R686-D694 IonicContact CZ-OD2 3.1Å; R686-D694 IonicContact NE-OD2 3.4Å; R686-D694 IonicContact NH1-OD2 2.62Å; R686-D694 PolarHBondContact NH1-OD2 3.26Å; Q690-D694 PolarHBondContact NE2-OD1 3.1Å; Q690-D694 WeakPolarHBondContact O-CB 3.3Å; Q690-D694 PolarHBondContact O-N 2.9Å; Y691-D694 PolarHBondContact O-N 3.41Å
695	C	90.4	Very high	92.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	8.1	176.1	-60	0	0	0	0	113.3	Y691 L692 H693 G697 I698 D921 G923	Y691-C695 WeakPolarHBondContact CE1-SG 3.31Å; Y691-C695 PolarHBondContact O-N 2.91Å; Y691-C695 VanDerWaalsContact O-N 3.09Å; Y691-C695 PolarHBondContact O-SG 3.4Å; L692-C695 CarbonylContact O-C 3.57Å; L692-C695 PolarHBondContact O-N 2.62Å; H693-C695 PolarHBondContact O-N 3.18Å; H693-C695 VanDerWaalsContact O-N 3.15Å; C695-G697 PolarHBondContact O-N 3.42Å; C695-G697 VanDerWaalsContact O-N 3.16Å; C695-I698 PolarHBondContact O-N 3.42Å; C695-D921 HydrophobicContact CB-CB 4.2Å; C695-D921 VanDerWaalsContact SG-CB 3.54Å; C695-D921 VanDerWaalsContact SG-CG 3.56Å; C695-G923 WeakPolarHBondContact O-CA 3.35Å
696	H	88.7	Confident	93.1	Very high	127 Å²	127	36.6 Å²	36.6	59%	0.588	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	33.6	-176.4	-56.5	102.7	0	0	0	113.6	L692 H693 I698 G923	L692-H696 PolarHBondContact O-N 2.9Å; H693-H696 PolarHBondContact O-N 3.42Å; H696-I698 VanDerWaalsContact C-N 3.26Å; H696-I698 PolarHBondContact O-N 2.86Å; H696-G923 PolarHBondContact CE1-O 3.03Å; H696-G923 PolarHBondContact ND1-O 2.73Å
697	G	82.9	Confident	93.3	Very high	14 Å²	14	34.4 Å²	34.4	14%	0.144	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	-5.4	-174.4	0	0	0	0	0	115.6	L692 C695 G799	L692-G697 PolarHBondContact O-N 3.03Å; C695-G697 PolarHBondContact O-N 3.42Å; C695-G697 VanDerWaalsContact O-N 3.16Å; G697-G799 PolarHBondContact O-N 3.2Å
698	I	90.3	Very high	93.5	Very high	63 Å²	63	32.5 Å²	32.5	32%	0.323	16%	0.163	S	C	.	.			trans	-110.1	71	-173.6	-49.2	178.7	0	0	0	110.3	C695 H696 P922	C695-I698 PolarHBondContact O-N 3.42Å; H696-I698 VanDerWaalsContact C-N 3.26Å; H696-I698 PolarHBondContact O-N 2.86Å; I698-P922 HydrophobicContact CG2-CB 4.21Å; I698-P922 HydrophobicContact CG2-CG 4.44Å
699	M	93.8	Very high	93.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.			trans	-70	143.8	170.6	-176.1	-173.3	-74.6	0	0	111.3	L688 Y691 L692 N703 V704 F707 M796 R858 D921	L688-M699 HydrophobicContact CD1-CE 3.72Å; Y691-M699 HydrophobicContact CD1-CE 3.65Å; Y691-M699 HydrophobicContact CE1-CE 3.95Å; L692-M699 HydrophobicContact CD2-CB 4.36Å; L692-M699 HydrophobicContact CD2-CE 3.86Å; L692-M699 HydrophobicContact CG-CE 4.33Å; M699-N703 HydrophobicContact CG-CB 3.89Å; M699-N703 HydrophobicContact SD-CB 4.26Å; M699-V704 HydrophobicContact CB-CG2 4.23Å; M699-V704 HydrophobicContact CG-CG2 3.93Å; M699-V704 HydrophobicContact SD-CB 4.31Å; M699-V704 HydrophobicContact SD-CG2 3.53Å; M699-V704 VanDerWaalsContact SD-CG2 3.53Å; M699-F707 HydrophobicContact CE-CD2 3.64Å; M699-F707 HydrophobicContact CE-CE2 3.63Å; M699-F707 HydrophobicContact SD-CD2 3.54Å; M699-F707 VanDerWaalsContact SD-CD2 3.54Å; M699-F707 HydrophobicContact SD-CE2 3.81Å; M699-M796 HydrophobicContact CE-CG 4.49Å; M699-M796 HydrophobicContact SD-CB 4.35Å; M699-R858 VanDerWaalsContact O-CZ 3.25Å; M699-R858 PolarHBondContact O-NH1 3.23Å; M699-R858 PolarHBondContact O-NH2 2.62Å; M699-D921 WeakPolarHBondContact CA-OD1 3.4Å; M699-D921 WeakPolarHBondContact CG-OD1 3.36Å
700	H	93.9	Very high	93.8	Very high	51 Å²	51	29.5 Å²	29.5	24%	0.236	15%	0.15	C	C	.	.			trans	-65.7	142.2	176.7	-166.1	-92.7	0	0	0	112.1	D702 N703 V704 A919 D921	H700-D702 IonicContact CE1-OD1 2.67Å; H700-D702 PolarHBondContact CE1-OD1 3.21Å; H700-D702 IonicContact CE1-OD2 3.76Å; H700-D702 PolarHBondContact ND1-N 3.44Å; H700-D702 IonicContact ND1-OD1 3.66Å; H700-D702 PolarHBondContact O-N 3.43Å; H700-N703 HydrophobicContact CB-CB 4.28Å; H700-N703 WeakPolarHBondContact O-CB 3.42Å; H700-N703 PolarHBondContact O-N 2.85Å; H700-V704 PolarHBondContact O-N 3.17Å; H700-A919 HydrophobicContact CB-CB 4.08Å; H700-A919 VanDerWaalsContact ND1-CB 3.3Å; H700-A919 WeakPolarHBondContact ND1-CB 3.24Å; H700-D921 PolarHBondContact N-OD1 2.65Å
701	S	92.7	Very high	94.1	Very high	42 Å²	42	25.5 Å²	25.5	29%	0.294	13%	0.131	S	C	.	.	H	α-helix	trans	-54.2	-39.8	-177.3	47.7	0	0	0	0	113.4	N703 V704 Q705	S701-N703 VanDerWaalsContact C-N 3.34Å; S701-V704 WeakPolarHBondContact O-CB 3.43Å; S701-V704 PolarHBondContact O-N 3.3Å; S701-Q705 PolarHBondContact O-N 3.13Å
702	D	93.5	Very high	94.2	Very high	31 Å²	31	25.4 Å²	25.4	17%	0.166	13%	0.13	C	C	.	.	H	α-helix	trans	-76.8	-27.3	-175.7	-55.9	26.2	0	0	0	110.4	H700 Q705 L706 R895	H700-D702 IonicContact CE1-OD1 2.67Å; H700-D702 PolarHBondContact CE1-OD1 3.21Å; H700-D702 IonicContact CE1-OD2 3.76Å; H700-D702 PolarHBondContact ND1-N 3.44Å; H700-D702 IonicContact ND1-OD1 3.66Å; H700-D702 PolarHBondContact O-N 3.43Å; D702-Q705 PolarHBondContact O-N 2.96Å; D702-L706 WeakPolarHBondContact O-CB 3.47Å; D702-L706 VanDerWaalsContact O-CG 3.32Å; D702-L706 WeakPolarHBondContact O-CG 3.47Å; D702-L706 PolarHBondContact O-N 3.46Å; D702-R895 IonicContact OD1-CZ 2.68Å; D702-R895 IonicContact OD1-NH2 3.52Å; D702-R895 PolarHBondContact OD1-NH2 3.02Å; D702-R895 IonicContact OD2-CZ 2.69Å; D702-R895 VanDerWaalsContact OD2-CZ 3.22Å; D702-R895 IonicContact OD2-NE 2.66Å; D702-R895 PolarHBondContact OD2-NE 3.22Å; D702-R895 IonicContact OD2-NH2 2.64Å; D702-R895 PolarHBondContact OD2-NH2 3.08Å
703	N	95.5	Very high	94.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-71.1	-41.3	170.4	-67.1	-10.6	0	0	0	110.6	M699 H700 S701 Q705 L706 F707 L918 A919 D921	M699-N703 HydrophobicContact CG-CB 3.89Å; M699-N703 HydrophobicContact SD-CB 4.26Å; H700-N703 HydrophobicContact CB-CB 4.28Å; H700-N703 WeakPolarHBondContact O-CB 3.42Å; H700-N703 PolarHBondContact O-N 2.85Å; S701-N703 VanDerWaalsContact C-N 3.34Å; N703-Q705 VanDerWaalsContact C-N 3.28Å; N703-Q705 PolarHBondContact O-N 3.29Å; N703-L706 PolarHBondContact O-N 3.49Å; N703-F707 HydrophobicContact CB-CD2 4.32Å; N703-F707 HydrophobicContact CB-CE2 3.98Å; N703-F707 WeakPolarHBondContact O-CB 3.15Å; N703-F707 WeakPolarHBondContact O-CD2 3.3Å; N703-F707 WeakPolarHBondContact O-CG 3.33Å; N703-F707 PolarHBondContact O-N 3.24Å; N703-L918 HydrophobicContact CB-CD2 4.47Å; N703-A919 PolarHBondContact ND2-O 3.27Å; N703-A919 PolarHBondContact OD1-N 2.84Å; N703-D921 VanDerWaalsContact ND2-CG 3.27Å; N703-D921 PolarHBondContact ND2-OD1 3.01Å; N703-D921 PolarHBondContact ND2-OD2 3.37Å; N703-D921 VanDerWaalsContact ND2-OD2 3.14Å
704	V	96.2	Very high	94.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-57.1	-43.3	171.7	-179.6	0	0	0	0	110.7	M699 H700 S701 L708 F793 M796	M699-V704 HydrophobicContact CB-CG2 4.23Å; M699-V704 HydrophobicContact CG-CG2 3.93Å; M699-V704 HydrophobicContact SD-CB 4.31Å; M699-V704 HydrophobicContact SD-CG2 3.53Å; M699-V704 VanDerWaalsContact SD-CG2 3.53Å; H700-V704 PolarHBondContact O-N 3.17Å; S701-V704 WeakPolarHBondContact O-CB 3.43Å; S701-V704 PolarHBondContact O-N 3.3Å; V704-L708 VanDerWaalsContact O-CB 3.27Å; V704-L708 WeakPolarHBondContact O-CB 3.45Å; V704-L708 PolarHBondContact O-N 2.91Å; V704-F793 HydrophobicContact CG1-CD2 3.87Å; V704-F793 HydrophobicContact CG1-CE2 3.78Å; V704-M796 HydrophobicContact CG1-CB 3.91Å; V704-M796 HydrophobicContact CG1-CE 4.44Å; V704-M796 HydrophobicContact CG2-CB 4.21Å; V704-M796 WeakPolarHBondContact CG2-O 3.45Å
705	Q	96.5	Very high	94.9	Very high	11 Å²	11	17.9 Å²	17.9	5%	0.051	9%	0.094	C	C	.	.	H	α-helix	trans	-63.7	-46.3	177.2	-164.3	174.7	41.1	0	0	111.9	S701 D702 N703 Y709 Y889 F890 S893 F896	S701-Q705 PolarHBondContact O-N 3.13Å; D702-Q705 PolarHBondContact O-N 2.96Å; N703-Q705 VanDerWaalsContact C-N 3.28Å; N703-Q705 PolarHBondContact O-N 3.29Å; Q705-Y709 WeakPolarHBondContact O-CB 3.5Å; Q705-Y709 PolarHBondContact O-N 2.81Å; Q705-Y889 HydrophobicContact CB-CE1 4.38Å; Q705-Y889 WeakPolarHBondContact CB-OH 3.49Å; Q705-Y889 HydrophobicContact CG-CE1 3.9Å; Q705-Y889 HydrophobicContact CG-CE2 4.31Å; Q705-Y889 PolarHBondContact NE2-O 2.5Å; Q705-F890 HydrophobicContact CG-CD1 3.96Å; Q705-F890 HydrophobicContact CG-CE1 3.9Å; Q705-S893 PolarHBondContact NE2-OG 3.03Å; Q705-S893 VanDerWaalsContact NE2-OG 3.16Å; Q705-S893 PolarHBondContact OE1-OG 2.89Å; Q705-F896 HydrophobicContact CB-CE2 4.42Å; Q705-F896 HydrophobicContact CG-CD2 3.74Å; Q705-F896 HydrophobicContact CG-CE2 3.78Å; Q705-F896 HydrophobicContact CG-CG 4.44Å
706	L	96.8	Very high	95.2	Very high	13 Å²	13	18.3 Å²	18.3	7%	0.068	10%	0.097	C	C	.	.	H	α-helix	trans	-62.9	-46.6	176.9	-75.6	166.4	0	0	0	112.5	D702 N703 Y709 Q710 F896 F901 F911 V916	D702-L706 WeakPolarHBondContact O-CB 3.47Å; D702-L706 VanDerWaalsContact O-CG 3.32Å; D702-L706 WeakPolarHBondContact O-CG 3.47Å; D702-L706 PolarHBondContact O-N 3.46Å; N703-L706 PolarHBondContact O-N 3.49Å; L706-Y709 PolarHBondContact O-N 2.8Å; L706-Q710 WeakPolarHBondContact O-CB 3.39Å; L706-Q710 VanDerWaalsContact O-CG 3.29Å; L706-Q710 WeakPolarHBondContact O-CG 3.47Å; L706-Q710 PolarHBondContact O-N 3.42Å; L706-F896 HydrophobicContact CD2-CE2 3.91Å; L706-F896 HydrophobicContact CG-CE2 4.32Å; L706-F901 HydrophobicContact CD2-CE2 3.98Å; L706-F901 HydrophobicContact CD2-CZ 4.07Å; L706-F911 HydrophobicContact CD1-CE1 4.47Å; L706-V916 HydrophobicContact CD2-CG1 4.2Å
707	F	98.1	Very high	95.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.8	-40.1	179.7	-66.5	-42	0	0	0	112.3	Y691 M699 N703 Q710 L711 I735 G739 L741 M796 L918	Y691-F707 HydrophobicContact CD1-CE2 4.37Å; Y691-F707 HydrophobicContact CD2-CZ 4.29Å; Y691-F707 AromaticContact CE1-CE2 3.97Å; Y691-F707 HydrophobicContact CE1-CE2 3.97Å; Y691-F707 HydrophobicContact CE1-CZ 4.29Å; Y691-F707 HydrophobicContact CE2-CE2 4.25Å; Y691-F707 AromaticContact CE2-CZ 3.76Å; Y691-F707 HydrophobicContact CE2-CZ 3.76Å; Y691-F707 AromaticContact CZ-CE2 3.94Å; Y691-F707 AromaticContact CZ-CZ 3.8Å; M699-F707 HydrophobicContact CE-CD2 3.64Å; M699-F707 HydrophobicContact CE-CE2 3.63Å; M699-F707 HydrophobicContact SD-CD2 3.54Å; M699-F707 VanDerWaalsContact SD-CD2 3.54Å; M699-F707 HydrophobicContact SD-CE2 3.81Å; N703-F707 HydrophobicContact CB-CD2 4.32Å; N703-F707 HydrophobicContact CB-CE2 3.98Å; N703-F707 WeakPolarHBondContact O-CB 3.15Å; N703-F707 WeakPolarHBondContact O-CD2 3.3Å; N703-F707 WeakPolarHBondContact O-CG 3.33Å; N703-F707 PolarHBondContact O-N 3.24Å; F707-Q710 PolarHBondContact O-N 2.86Å; F707-L711 WeakPolarHBondContact O-CB 3.45Å; F707-L711 PolarHBondContact O-N 3.33Å; F707-I735 HydrophobicContact CD1-CD1 4.23Å; F707-I735 HydrophobicContact CE1-CD1 3.98Å; F707-I735 HydrophobicContact CE1-CG1 4.45Å; F707-I735 HydrophobicContact CE1-CG2 3.76Å; F707-I735 HydrophobicContact CE2-CD1 4.34Å; F707-I735 HydrophobicContact CZ-CD1 4.05Å; F707-I735 HydrophobicContact CZ-CG2 4.02Å; F707-G739 WeakPolarHBondContact CE1-O 3.32Å; F707-L741 HydrophobicContact CB-CD1 3.76Å; F707-L741 HydrophobicContact CD1-CB 3.96Å; F707-L741 HydrophobicContact CD1-CD1 3.96Å; F707-L741 HydrophobicContact CG-CD1 4.09Å; F707-M796 HydrophobicContact CB-SD 3.71Å; F707-L918 HydrophobicContact CE1-CD2 4.05Å; F707-L918 HydrophobicContact CE2-CD2 4.49Å; F707-L918 HydrophobicContact CZ-CD2 3.74Å
708	L	98.4	Very high	96	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.6	-43	174.6	-174.7	65.9	0	0	0	111.7	V704 L711 L712 V789 F793 M796 L866 Y889 F890	V704-L708 VanDerWaalsContact O-CB 3.27Å; V704-L708 WeakPolarHBondContact O-CB 3.45Å; V704-L708 PolarHBondContact O-N 2.91Å; L708-L711 PolarHBondContact O-N 3.01Å; L708-L712 HydrophobicContact CD1-CD1 4.49Å; L708-L712 HydrophobicContact CG-CD1 4.06Å; L708-L712 HydrophobicContact CG-CG 4.49Å; L708-L712 WeakPolarHBondContact O-CB 3.32Å; L708-L712 VanDerWaalsContact O-CG 3.27Å; L708-L712 WeakPolarHBondContact O-CG 3.42Å; L708-L712 PolarHBondContact O-N 3.01Å; L708-V789 HydrophobicContact CD1-CG1 3.6Å; L708-F793 HydrophobicContact CD1-CB 4.01Å; L708-F793 HydrophobicContact CD1-CD2 4.47Å; L708-F793 HydrophobicContact CD1-CG 4.14Å; L708-F793 HydrophobicContact CD2-CD1 3.79Å; L708-F793 HydrophobicContact CD2-CD2 3.78Å; L708-F793 HydrophobicContact CD2-CE1 3.73Å; L708-F793 HydrophobicContact CD2-CE2 3.73Å; L708-F793 HydrophobicContact CD2-CG 3.8Å; L708-F793 HydrophobicContact CD2-CZ 3.69Å; L708-M796 HydrophobicContact CB-CE 4.01Å; L708-M796 HydrophobicContact CD1-CE 4.23Å; L708-L866 HydrophobicContact CD2-CD2 3.77Å; L708-Y889 HydrophobicContact CD2-CD1 4.35Å; L708-Y889 HydrophobicContact CD2-CE1 4Å; L708-F890 HydrophobicContact CB-CZ 4.41Å; L708-F890 HydrophobicContact CD2-CZ 3.96Å; L708-F890 HydrophobicContact CG-CZ 4.09Å
709	Y	98.2	Very high	96.1	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.016	6%	0.058	C	C	.	.	H	α-helix	trans	-62.5	-45.4	177	-171.4	-91.7	0	0	0	111.7	Q705 L706 L711 L712 R713 L885 F890 F896 F898 F901 V910	Q705-Y709 WeakPolarHBondContact O-CB 3.5Å; Q705-Y709 PolarHBondContact O-N 2.81Å; L706-Y709 PolarHBondContact O-N 2.8Å; Y709-L711 PolarHBondContact O-N 2.87Å; Y709-L712 PolarHBondContact O-N 3.29Å; Y709-R713 VanDerWaalsContact O-CB 3.28Å; Y709-R713 WeakPolarHBondContact O-CB 3.45Å; Y709-R713 PolarHBondContact O-N 3.11Å; Y709-L885 HydrophobicContact CD1-CD2 4.42Å; Y709-L885 HydrophobicContact CD2-CD2 3.69Å; Y709-L885 HydrophobicContact CE1-CD2 4.27Å; Y709-L885 HydrophobicContact CE2-CD2 3.53Å; Y709-L885 HydrophobicContact CG-CD2 4.14Å; Y709-F890 HydrophobicContact CD2-CB 4.43Å; Y709-F890 AromaticContact CD2-CD1 3.77Å; Y709-F890 HydrophobicContact CD2-CD1 3.77Å; Y709-F890 HydrophobicContact CD2-CD2 4.14Å; Y709-F890 AromaticContact CD2-CE1 3.98Å; Y709-F890 HydrophobicContact CD2-CE1 3.98Å; Y709-F890 HydrophobicContact CD2-CE2 4.33Å; Y709-F890 AromaticContact CD2-CG 3.85Å; Y709-F890 HydrophobicContact CD2-CG 3.85Å; Y709-F890 HydrophobicContact CD2-CZ 4.25Å; Y709-F890 HydrophobicContact CE2-CG 4.43Å; Y709-F890 HydrophobicContact CG-CD1 4.47Å; Y709-F890 HydrophobicContact CG-CE1 4.38Å; Y709-F896 HydrophobicContact CD1-CZ 4.21Å; Y709-F896 AromaticContact CD2-CE1 3.74Å; Y709-F896 HydrophobicContact CD2-CE1 3.74Å; Y709-F896 AromaticContact CD2-CZ 3.75Å; Y709-F896 HydrophobicContact CD2-CZ 3.75Å; Y709-F896 HydrophobicContact CE2-CE1 4.08Å; Y709-F896 HydrophobicContact CE2-CZ 4.46Å; Y709-F896 HydrophobicContact CG-CE1 4.06Å; Y709-F896 AromaticContact CG-CZ 3.61Å; Y709-F896 HydrophobicContact CG-CZ 3.61Å; Y709-F898 HydrophobicContact CE2-CD2 4.43Å; Y709-F901 HydrophobicContact CD1-CD2 4.1Å; Y709-F901 HydrophobicContact CE1-CB 3.69Å; Y709-F901 AromaticContact CE1-CD2 3.92Å; Y709-F901 HydrophobicContact CE1-CD2 3.92Å; Y709-F901 HydrophobicContact CE1-CG 4.13Å; Y709-F901 WeakPolarHBondContact OH-CB 3.44Å; Y709-V910 HydrophobicContact CD1-CG1 4.31Å; Y709-V910 HydrophobicContact CE1-CG1 4.42Å
710	Q	98.4	Very high	96	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-42.9	177	-74.7	-174.4	91.6	0	0	112.8	N663 L706 F707 R713 G714 G739 L741 V910	N663-Q710 WeakPolarHBondContact CB-O 3.12Å; N663-Q710 WeakPolarHBondContact ND2-CB 3.02Å; N663-Q710 WeakPolarHBondContact ND2-CG 3.44Å; N663-Q710 PolarHBondContact ND2-OE1 2.71Å; L706-Q710 WeakPolarHBondContact O-CB 3.39Å; L706-Q710 VanDerWaalsContact O-CG 3.29Å; L706-Q710 WeakPolarHBondContact O-CG 3.47Å; L706-Q710 PolarHBondContact O-N 3.42Å; F707-Q710 PolarHBondContact O-N 2.86Å; Q710-R713 PolarHBondContact O-N 3.14Å; Q710-G714 PolarHBondContact O-N 3.39Å; Q710-G739 PolarHBondContact NE2-O 3.28Å; Q710-L741 HydrophobicContact CB-CB 4.03Å; Q710-L741 HydrophobicContact CB-CD2 4.49Å; Q710-V910 HydrophobicContact CG-CG1 4.19Å; Q710-V910 HydrophobicContact CG-CG2 3.8Å
711	L	98.5	Very high	95.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-59.3	-50.6	174.1	171.5	57	0	0	0	111.5	F707 L708 Y709 R713 G714 L715 L728 L733 L741 L743 V789 I792	F707-L711 WeakPolarHBondContact O-CB 3.45Å; F707-L711 PolarHBondContact O-N 3.33Å; L708-L711 PolarHBondContact O-N 3.01Å; Y709-L711 PolarHBondContact O-N 2.87Å; L711-R713 VanDerWaalsContact C-N 3.3Å; L711-R713 PolarHBondContact O-N 3.46Å; L711-G714 PolarHBondContact O-N 3.17Å; L711-L715 HydrophobicContact CD1-CD1 3.8Å; L711-L715 HydrophobicContact CD1-CG 4.24Å; L711-L715 HydrophobicContact CG-CD1 4.2Å; L711-L715 WeakPolarHBondContact O-CG 3.22Å; L711-L715 PolarHBondContact O-N 3.44Å; L711-L728 HydrophobicContact CD1-CD2 4.36Å; L711-L733 HydrophobicContact CD1-CD1 4.09Å; L711-L733 HydrophobicContact CD1-CD2 3.75Å; L711-L733 HydrophobicContact CD2-CD1 3.96Å; L711-L741 HydrophobicContact CB-CD2 4.11Å; L711-L743 HydrophobicContact CD1-CD2 3.7Å; L711-V789 HydrophobicContact CD2-CB 4.49Å; L711-V789 HydrophobicContact CD2-CG1 4.13Å; L711-V789 HydrophobicContact CD2-CG2 4.12Å; L711-V789 HydrophobicContact CG-CG2 4.19Å; L711-I792 HydrophobicContact CD2-CG2 4.21Å
712	L	98.5	Very high	95.5	Very high	0 Å²	0	26 Å²	26	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-37.4	177.2	-72.6	172	0	0	0	112.3	L708 Y709 L715 A716 M786 V789 A881 A884 L885 F890	L708-L712 HydrophobicContact CD1-CD1 4.49Å; L708-L712 HydrophobicContact CG-CD1 4.06Å; L708-L712 HydrophobicContact CG-CG 4.49Å; L708-L712 WeakPolarHBondContact O-CB 3.32Å; L708-L712 VanDerWaalsContact O-CG 3.27Å; L708-L712 WeakPolarHBondContact O-CG 3.42Å; L708-L712 PolarHBondContact O-N 3.01Å; Y709-L712 PolarHBondContact O-N 3.29Å; L712-L715 PolarHBondContact O-N 2.97Å; L712-A716 WeakPolarHBondContact O-CB 3.24Å; L712-A716 PolarHBondContact O-N 3.4Å; L712-M786 HydrophobicContact CD2-CE 3.67Å; L712-V789 HydrophobicContact CD2-CG1 3.92Å; L712-V789 HydrophobicContact CG-CG1 4.43Å; L712-A881 HydrophobicContact CD2-CB 4.38Å; L712-A884 HydrophobicContact CD1-CB 3.82Å; L712-A884 HydrophobicContact CD2-CB 3.76Å; L712-A884 HydrophobicContact CG-CB 4.42Å; L712-L885 HydrophobicContact CB-CD2 3.67Å; L712-L885 HydrophobicContact CB-CG 3.94Å; L712-F890 HydrophobicContact CD1-CE2 3.69Å; L712-F890 HydrophobicContact CD1-CZ 3.9Å
713	R	97.8	Very high	95.1	Very high	18 Å²	18	25.4 Å²	25.4	7%	0.068	11%	0.107	C	C	.	.	H	α-helix	trans	-66.2	-46.5	179	-162.6	-174	173.3	-122.7	2.3	111.4	N663 Y709 Q710 L711 A716 Y717 L885 L904 S905 S908	N663-R713 PolarHBondContact OD1-NH1 3.47Å; Y709-R713 VanDerWaalsContact O-CB 3.28Å; Y709-R713 WeakPolarHBondContact O-CB 3.45Å; Y709-R713 PolarHBondContact O-N 3.11Å; Q710-R713 PolarHBondContact O-N 3.14Å; L711-R713 VanDerWaalsContact C-N 3.3Å; L711-R713 PolarHBondContact O-N 3.46Å; R713-A716 PolarHBondContact O-N 2.93Å; R713-Y717 PolarHBondContact O-N 2.79Å; R713-L885 HydrophobicContact CB-CD2 4.21Å; R713-L904 PolarHBondContact NH2-O 3.04Å; R713-S905 PolarHBondContact NH2-O 3.36Å; R713-S908 PolarHBondContact NH1-O 2.89Å; R713-S908 PolarHBondContact NH2-O 2.87Å
714	G	97	Very high	94.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.3	-44.5	173	0	0	0	0	0	112.8	Q710 L711 Y717 C718 L743	Q710-G714 PolarHBondContact O-N 3.39Å; L711-G714 PolarHBondContact O-N 3.17Å; G714-Y717 PolarHBondContact O-N 2.94Å; G714-C718 PolarHBondContact O-N 3.17Å; G714-C718 VanDerWaalsContact O-N 3.13Å; G714-C718 PolarHBondContact O-SG 2.82Å; G714-L743 VanDerWaalsContact C-CD1 3.47Å
715	L	96.5	Very high	94.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.6	-40.5	179	-72.5	171.6	0	0	0	112.6	L711 L712 Y717 C718 H719 H725 L728 L743 D785 V789 A881	L711-L715 HydrophobicContact CD1-CD1 3.8Å; L711-L715 HydrophobicContact CD1-CG 4.24Å; L711-L715 HydrophobicContact CG-CD1 4.2Å; L711-L715 WeakPolarHBondContact O-CG 3.22Å; L711-L715 PolarHBondContact O-N 3.44Å; L712-L715 PolarHBondContact O-N 2.97Å; L715-Y717 VanDerWaalsContact C-N 3.28Å; L715-Y717 PolarHBondContact O-N 3.24Å; L715-C718 PolarHBondContact O-N 3.08Å; L715-C718 VanDerWaalsContact O-N 3.15Å; L715-H719 VanDerWaalsContact O-CB 3.3Å; L715-H719 WeakPolarHBondContact O-CB 3.42Å; L715-H719 PolarHBondContact O-CD2 3.45Å; L715-H719 PolarHBondContact O-N 3Å; L715-H725 HydrophobicContact CD2-CB 4.12Å; L715-L728 HydrophobicContact CD1-CD1 3.77Å; L715-L728 HydrophobicContact CD2-CD1 4.08Å; L715-L728 HydrophobicContact CD2-CD2 4.41Å; L715-L743 HydrophobicContact CD2-CD1 3.92Å; L715-L743 HydrophobicContact CD2-CD2 4.29Å; L715-L743 HydrophobicContact CG-CD1 4.06Å; L715-L743 HydrophobicContact CG-CD2 4.39Å; L715-D785 HydrophobicContact CD2-CB 4.31Å; L715-V789 HydrophobicContact CD1-CG2 3.26Å; L715-A881 HydrophobicContact CB-CB 4.2Å
716	A	96.9	Very high	93.7	Very high	9 Å²	9	27.3 Å²	27.3	7%	0.074	11%	0.114	C	C	.	.	H	α-helix	trans	-57.3	-42.2	175.4	0	0	0	0	0	111.8	L712 R713 H719 E720 A881 M882 L885	L712-A716 WeakPolarHBondContact O-CB 3.24Å; L712-A716 PolarHBondContact O-N 3.4Å; R713-A716 PolarHBondContact O-N 2.93Å; A716-H719 PolarHBondContact O-N 2.93Å; A716-E720 WeakPolarHBondContact O-CB 3.28Å; A716-E720 PolarHBondContact O-N 2.95Å; A716-A881 HydrophobicContact CB-CB 3.95Å; A716-M882 HydrophobicContact CB-CE 4.37Å; A716-L885 HydrophobicContact CB-CD1 3.85Å
717	Y	95.1	Very high	93.2	Very high	26 Å²	26	27.9 Å²	27.9	10%	0.102	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-41.5	175.3	-176.8	-82	0	0	0	112.7	L659 R660 H661 I664 R713 G714 L715 R721 A906	L659-Y717 HydrophobicContact CB-CE1 4.34Å; L659-Y717 HydrophobicContact CD2-CD1 4.48Å; L659-Y717 HydrophobicContact CD2-CE1 3.88Å; R660-Y717 PolarHBondContact N-OH 2.81Å; R660-Y717 WeakPolarHBondContact O-CE2 3.47Å; R660-Y717 VanDerWaalsContact O-CZ 3.32Å; R660-Y717 PolarHBondContact O-OH 2.8Å; H661-Y717 HydrophobicContact CB-CD1 3.88Å; H661-Y717 HydrophobicContact CB-CD2 3.93Å; H661-Y717 HydrophobicContact CB-CE1 4Å; H661-Y717 HydrophobicContact CB-CE2 4.02Å; H661-Y717 HydrophobicContact CB-CG 3.84Å; H661-Y717 AromaticContact CD2-CD2 3.51Å; H661-Y717 AromaticContact CD2-CG 3.76Å; H661-Y717 AromaticContact CG-CD2 3.95Å; H661-Y717 AromaticContact CG-CG 3.87Å; I664-Y717 HydrophobicContact CD1-CD1 3.58Å; I664-Y717 HydrophobicContact CD1-CE1 4.1Å; I664-Y717 HydrophobicContact CD1-CG 4.42Å; R713-Y717 PolarHBondContact O-N 2.79Å; G714-Y717 PolarHBondContact O-N 2.94Å; L715-Y717 VanDerWaalsContact C-N 3.28Å; L715-Y717 PolarHBondContact O-N 3.24Å; Y717-R721 VanDerWaalsContact CD2-NH1 3.34Å; Y717-R721 VanDerWaalsContact CE2-CZ 3.41Å; Y717-R721 VanDerWaalsContact CZ-NE 3.33Å; Y717-R721 PolarHBondContact O-N 2.89Å; Y717-R721 PolarHBondContact O-NH1 2.94Å; Y717-A906 HydrophobicContact CD2-CB 4.02Å; Y717-A906 HydrophobicContact CE2-CB 3.73Å
718	C	92.7	Very high	92.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	12%	0.119	C	C	.	.	H	α-helix	trans	-65.2	-44.3	174	-69.7	0	0	0	0	112.2	I664 G714 L715 R721 R722 I723	I664-C718 VanDerWaalsContact CD1-SG 3.5Å; G714-C718 PolarHBondContact O-N 3.17Å; G714-C718 VanDerWaalsContact O-N 3.13Å; G714-C718 PolarHBondContact O-SG 2.82Å; L715-C718 PolarHBondContact O-N 3.08Å; L715-C718 VanDerWaalsContact O-N 3.15Å; C718-R721 CarbonylContact O-C 3.57Å; C718-R721 WeakPolarHBondContact O-CA 3.25Å; C718-R721 PolarHBondContact O-N 2.9Å; C718-R721 VanDerWaalsContact O-N 3.12Å; C718-R722 PolarHBondContact O-N 3.33Å; C718-I723 HydrophobicContact CB-CB 4.31Å; C718-I723 PolarHBondContact O-N 2.8Å
719	H	92.8	Very high	92.6	Very high	25 Å²	25	30 Å²	30	12%	0.116	13%	0.127	C	C	.	.	H	α-helix	trans	-67.5	-39.6	-175.1	-70.5	-166.2	0	0	0	111.9	L715 A716 R721 R722 T782 D785	L715-H719 VanDerWaalsContact O-CB 3.3Å; L715-H719 WeakPolarHBondContact O-CB 3.42Å; L715-H719 PolarHBondContact O-CD2 3.45Å; L715-H719 PolarHBondContact O-N 3Å; A716-H719 PolarHBondContact O-N 2.93Å; H719-R721 VanDerWaalsContact C-N 3.27Å; H719-R721 PolarHBondContact O-N 2.69Å; H719-R722 PolarHBondContact O-N 3.26Å; H719-R722 VanDerWaalsContact O-N 3.08Å; H719-T782 HydrophobicContact CB-CG2 3.78Å; H719-T782 VanDerWaalsContact CD2-CG2 3.47Å; H719-T782 WeakPolarHBondContact CD2-CG2 3.48Å; H719-T782 PolarHBondContact CE1-O 3.07Å; H719-T782 VanDerWaalsContact CE1-O 3.24Å; H719-D785 IonicContact CD2-OD2 2.74Å; H719-D785 IonicContact CE1-OD2 3.51Å; H719-D785 IonicContact NE2-OD2 3.49Å; H719-D785 PolarHBondContact NE2-OD2 3.38Å
720	E	92.5	Very high	92.5	Very high	127 Å²	127	29.8 Å²	29.8	59%	0.593	13%	0.126	S	C	*	.	H	α-helix	trans	-55.1	-43.3	169.7	179.1	179.2	-128.9	0	0	111.3	A716 R722	A716-E720 WeakPolarHBondContact O-CB 3.28Å; A716-E720 PolarHBondContact O-N 2.95Å; E720-R722 PolarHBondContact O-N 2.91Å
721	R	88.6	Confident	92.1	Very high	101 Å²	101	33.6 Å²	33.6	38%	0.381	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	11.9	178.5	-73.8	158.1	-164.6	66.6	17.4	113.9	Y717 C718 H719 I723	Y717-R721 VanDerWaalsContact CD2-NH1 3.34Å; Y717-R721 VanDerWaalsContact CE2-CZ 3.41Å; Y717-R721 VanDerWaalsContact CZ-NE 3.33Å; Y717-R721 PolarHBondContact O-N 2.89Å; Y717-R721 PolarHBondContact O-NH1 2.94Å; C718-R721 CarbonylContact O-C 3.57Å; C718-R721 WeakPolarHBondContact O-CA 3.25Å; C718-R721 PolarHBondContact O-N 2.9Å; C718-R721 VanDerWaalsContact O-N 3.12Å; H719-R721 VanDerWaalsContact C-N 3.27Å; H719-R721 PolarHBondContact O-N 2.69Å; R721-I723 HydrophobicContact CB-CG1 4.46Å; R721-I723 PolarHBondContact O-N 3.07Å
722	R	86.8	Confident	91.9	Very high	179 Å²	179	34.2 Å²	34.2	68%	0.675	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	26.3	-179.4	-53	-179.7	178.9	-176	-1.3	114.2	C718 H719 E720 K752	C718-R722 PolarHBondContact O-N 3.33Å; H719-R722 PolarHBondContact O-N 3.26Å; H719-R722 VanDerWaalsContact O-N 3.08Å; E720-R722 PolarHBondContact O-N 2.91Å; R722-K752 HydrophobicContact CB-CD 4.37Å; R722-K752 PolarHBondContact O-N 2.79Å
723	I	84.8	Confident	91.8	Very high	17 Å²	17	34.2 Å²	34.2	9%	0.087	15%	0.147	C	C	.	.			trans	-96.2	141.3	175.3	-59.1	-177.9	0	0	0	109.6	L659 C718 R721 F746 A749	L659-I723 HydrophobicContact CD1-CD1 3.81Å; L659-I723 HydrophobicContact CD2-CD1 3.7Å; L659-I723 HydrophobicContact CG-CD1 4.21Å; C718-I723 HydrophobicContact CB-CB 4.31Å; C718-I723 PolarHBondContact O-N 2.8Å; R721-I723 HydrophobicContact CB-CG1 4.46Å; R721-I723 PolarHBondContact O-N 3.07Å; I723-F746 HydrophobicContact CG2-CD1 4.34Å; I723-A749 HydrophobicContact CG2-CB 4.06Å
724	L	86.1	Confident	91.8	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	15%	0.153	C	C	.	.			trans	-114.4	132.8	178.5	-63.1	170.4	0	0	0	108.6	R726 A749 K752 T782	L724-R726 HydrophobicContact CB-CG 3.87Å; L724-A749 WeakPolarHBondContact O-CA 3.49Å; L724-A749 WeakPolarHBondContact O-CB 3.38Å; L724-K752 HydrophobicContact CD1-CG 4.14Å; L724-K752 HydrophobicContact CG-CG 4.22Å; L724-T782 HydrophobicContact CD2-CG2 3.56Å
725	H	87.5	Confident	91.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	15%	0.153	C	C	.	.			trans	-79.1	-44.9	178.4	-160.7	-60.7	0	0	0	112	L715 D727 L728 A744 F746 D785	L715-H725 HydrophobicContact CD2-CB 4.12Å; H725-D727 PolarHBondContact CE1-O 2.88Å; H725-D727 PolarHBondContact ND1-O 3.31Å; H725-D727 PolarHBondContact O-N 2.77Å; H725-L728 HydrophobicContact CB-CD2 4.22Å; H725-L728 HydrophobicContact CB-CG 4.01Å; H725-A744 PolarHBondContact CE1-O 3.34Å; H725-A744 PolarHBondContact NE2-O 2.95Å; H725-F746 AromaticContact CD2-CE1 4Å; H725-D785 PolarHBondContact N-OD1 2.79Å; H725-D785 PolarHBondContact N-OD2 3.16Å
726	R	85.4	Confident	91.7	Very high	48 Å²	48	36.5 Å²	36.5	18%	0.181	16%	0.16	C	C	.	.			trans	64.2	-42.3	178.1	-44.3	-179.8	-164.3	171.4	1.4	116.3	L724 L748 R750 D785	L724-R726 HydrophobicContact CB-CG 3.87Å; R726-L748 PolarHBondContact NE-O 2.95Å; R726-L748 PolarHBondContact NH1-O 2.92Å; R726-R750 PolarHBondContact NH2-O 3.42Å; R726-D785 PolarHBondContact N-OD1 3.27Å
727	D	85.7	Confident	91.5	Very high	26 Å²	26	40.8 Å²	40.8	14%	0.139	19%	0.19	C	C	.	.			trans	-102.5	62.6	178.1	-174.8	35	0	0	0	110	H725 K729 N732 L748	H725-D727 PolarHBondContact CE1-O 2.88Å; H725-D727 PolarHBondContact ND1-O 3.31Å; H725-D727 PolarHBondContact O-N 2.77Å; D727-K729 IonicContact OD1-NZ 3.76Å; D727-K729 PolarHBondContact OD1-NZ 3.4Å; D727-K729 WeakPolarHBondContact OD2-CE 3.47Å; D727-K729 IonicContact OD2-NZ 2.78Å; D727-K729 PolarHBondContact OD2-NZ 3.26Å; D727-N732 PolarHBondContact O-ND2 2.81Å; D727-N732 PolarHBondContact OD2-ND2 2.81Å; D727-L748 HydrophobicContact CB-CD1 4.44Å
728	L	92.6	Very high	91.4	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.031	20%	0.204	C	C	.	.			trans	-84.9	119	172.9	-80.3	177.1	0	0	0	110.1	L711 L715 H725 L733 L743 Y768 D785 V789 I792	L711-L728 HydrophobicContact CD1-CD2 4.36Å; L715-L728 HydrophobicContact CD1-CD1 3.77Å; L715-L728 HydrophobicContact CD2-CD1 4.08Å; L715-L728 HydrophobicContact CD2-CD2 4.41Å; H725-L728 HydrophobicContact CB-CD2 4.22Å; H725-L728 HydrophobicContact CB-CG 4.01Å; L728-L733 HydrophobicContact CD2-CD2 4.27Å; L728-L743 HydrophobicContact CD2-CD2 3.86Å; L728-Y768 WeakPolarHBondContact O-CB 3.05Å; L728-Y768 WeakPolarHBondContact O-CD2 3.33Å; L728-D785 HydrophobicContact CD1-CB 3.74Å; L728-D785 VanDerWaalsContact CD1-O 3.31Å; L728-D785 WeakPolarHBondContact CD1-O 3.44Å; L728-V789 HydrophobicContact CD1-CG2 4.21Å; L728-I792 HydrophobicContact CB-CD1 4.19Å
729	K	92.9	Very high	91.5	Very high	37 Å²	37	44.6 Å²	44.6	16%	0.161	20%	0.204	C	C	.	.			trans	-155.4	157.5	176.5	60.8	-169.3	174.4	-138.5	0	109.4	D727 Q731 N732 Y768	D727-K729 IonicContact OD1-NZ 3.76Å; D727-K729 PolarHBondContact OD1-NZ 3.4Å; D727-K729 WeakPolarHBondContact OD2-CE 3.47Å; D727-K729 IonicContact OD2-NZ 2.78Å; D727-K729 PolarHBondContact OD2-NZ 3.26Å; K729-Q731 HydrophobicContact CG-CB 4.33Å; K729-Q731 PolarHBondContact O-N 3.37Å; K729-Q731 VanDerWaalsContact O-N 3.11Å; K729-N732 WeakPolarHBondContact CE-ND2 3.42Å; K729-N732 VanDerWaalsContact CE-OD1 3.24Å; K729-N732 WeakPolarHBondContact CE-OD1 3.48Å; K729-N732 HydrophobicContact CG-CB 4.16Å; K729-N732 PolarHBondContact O-N 3.43Å; K729-Y768 HydrophobicContact CB-CD2 3.63Å; K729-Y768 HydrophobicContact CB-CE2 3.45Å; K729-Y768 VanDerWaalsContact CB-CE2 3.45Å; K729-Y768 HydrophobicContact CB-CG 4.4Å
730	P	94.5	Very high	91.7	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-53.5	-32.6	-179.1	-29.5	37.1	0	0	0	114.9	L688 K689 N732 L733 Y768 I792	L688-P730 HydrophobicContact CB-CB 4.08Å; L688-P730 WeakPolarHBondContact CB-O 3.48Å; L688-P730 HydrophobicContact CD2-CB 4.19Å; L688-P730 HydrophobicContact CG-CB 4.14Å; L688-P730 PolarHBondContact N-O 2.88Å; K689-P730 HydrophobicContact CB-CB 4.01Å; K689-P730 HydrophobicContact CD-CB 4.42Å; P730-N732 VanDerWaalsContact C-N 3.26Å; P730-N732 PolarHBondContact O-N 3.36Å; P730-L733 PolarHBondContact O-N 2.89Å; P730-Y768 VanDerWaalsContact CD-CZ 3.4Å; P730-Y768 VanDerWaalsContact CD-OH 3.23Å; P730-Y768 WeakPolarHBondContact CD-OH 3.48Å; P730-Y768 HydrophobicContact CG-CE1 4.41Å; P730-I792 HydrophobicContact CG-CG1 4.5Å
731	Q	91.7	Very high	92	Very high	81 Å²	81	38 Å²	38	38%	0.379	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-66	-25.3	176.7	-60.6	87.7	-16.9	0	0	113.6	K689 K729 L733	K689-Q731 HydrophobicContact CB-CG 4.45Å; K729-Q731 HydrophobicContact CG-CB 4.33Å; K729-Q731 PolarHBondContact O-N 3.37Å; K729-Q731 VanDerWaalsContact O-N 3.11Å; Q731-L733 VanDerWaalsContact C-N 3.34Å
732	N	93.8	Very high	92.4	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.07	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-92.6	5.7	178	-69.2	4.5	0	0	0	112.3	D727 K729 P730 A744	D727-N732 PolarHBondContact O-ND2 2.81Å; D727-N732 PolarHBondContact OD2-ND2 2.81Å; K729-N732 WeakPolarHBondContact CE-ND2 3.42Å; K729-N732 VanDerWaalsContact CE-OD1 3.24Å; K729-N732 WeakPolarHBondContact CE-OD1 3.48Å; K729-N732 HydrophobicContact CG-CB 4.16Å; K729-N732 PolarHBondContact O-N 3.43Å; P730-N732 VanDerWaalsContact C-N 3.26Å; P730-N732 PolarHBondContact O-N 3.36Å; N732-A744 WeakPolarHBondContact O-CB 3.25Å; N732-A744 PolarHBondContact O-N 3.38Å
733	L	96.6	Very high	92.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	96	176	-58.1	-171.7	0	0	0	109.2	D687 L688 L711 L728 P730 Q731 L741 L743 I792	D687-L733 CarbonylContact C-O 3.46Å; D687-L733 WeakPolarHBondContact CA-O 3.29Å; L688-L733 HydrophobicContact CB-CB 4.03Å; L688-L733 HydrophobicContact CD2-CB 4.47Å; L688-L733 HydrophobicContact CD2-CD1 3.85Å; L688-L733 PolarHBondContact N-O 2.88Å; L711-L733 HydrophobicContact CD1-CD1 4.09Å; L711-L733 HydrophobicContact CD1-CD2 3.75Å; L711-L733 HydrophobicContact CD2-CD1 3.96Å; L728-L733 HydrophobicContact CD2-CD2 4.27Å; P730-L733 PolarHBondContact O-N 2.89Å; Q731-L733 VanDerWaalsContact C-N 3.34Å; L733-L741 HydrophobicContact CB-CD1 4.41Å; L733-L741 HydrophobicContact CB-CD2 4.47Å; L733-L741 HydrophobicContact CB-CG 4.44Å; L733-L741 HydrophobicContact CD2-CD2 4.4Å; L733-L743 HydrophobicContact CD2-CD2 3.6Å; L733-I792 HydrophobicContact CD1-CD1 3.99Å; L733-I792 HydrophobicContact CD1-CG2 3.85Å
734	L	97	Very high	93.1	Very high	37 Å²	37	25.6 Å²	25.6	19%	0.194	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	141.7	-177.1	-52.7	-174.5	0	0	0	110.9	V665 V684 R686 D687 L741 K742 A744	V665-L734 HydrophobicContact CG2-CD1 3.99Å; V684-L734 HydrophobicContact CB-CB 3.78Å; V684-L734 HydrophobicContact CB-CD1 4.03Å; V684-L734 HydrophobicContact CG1-CB 3.62Å; V684-L734 HydrophobicContact CG2-CB 4.29Å; V684-L734 HydrophobicContact CG2-CD1 4.39Å; R686-L734 CarbonylContact O-C 3.41Å; R686-L734 WeakPolarHBondContact O-CA 3.14Å; D687-L734 HydrophobicContact CB-CD2 3.81Å; L734-L741 CarbonylContact O-C 3.5Å; L734-L741 VanDerWaalsContact O-CA 3.31Å; L734-L741 WeakPolarHBondContact O-CA 3.42Å; L734-K742 PolarHBondContact N-O 2.86Å; L734-K742 PolarHBondContact O-N 3.34Å; L734-A744 HydrophobicContact CD1-CB 3.84Å; L734-A744 HydrophobicContact CG-CB 3.77Å
735	I	97.3	Very high	92.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	117.5	-176.8	-54.6	177.7	0	0	0	109.9	V684 R686 L688 Y691 F707 D740 L741	V684-I735 VanDerWaalsContact CG1-C 3.47Å; R686-I735 PolarHBondContact O-N 3.18Å; L688-I735 HydrophobicContact CB-CD1 3.99Å; L688-I735 HydrophobicContact CD1-CD1 3.75Å; L688-I735 HydrophobicContact CG-CD1 4.47Å; Y691-I735 HydrophobicContact CD2-CB 4.21Å; Y691-I735 HydrophobicContact CD2-CD1 3.93Å; Y691-I735 HydrophobicContact CD2-CG2 3.79Å; Y691-I735 HydrophobicContact CE2-CG2 4.01Å; Y691-I735 HydrophobicContact CG-CD1 4.08Å; F707-I735 HydrophobicContact CD1-CD1 4.23Å; F707-I735 HydrophobicContact CE1-CD1 3.98Å; F707-I735 HydrophobicContact CE1-CG1 4.45Å; F707-I735 HydrophobicContact CE1-CG2 3.76Å; F707-I735 HydrophobicContact CE2-CD1 4.34Å; F707-I735 HydrophobicContact CZ-CD1 4.05Å; F707-I735 HydrophobicContact CZ-CG2 4.02Å; I735-D740 WeakPolarHBondContact CA-O 3.34Å; I735-L741 HydrophobicContact CD1-CD1 4.18Å; I735-L741 HydrophobicContact CG1-CB 4.27Å; I735-L741 HydrophobicContact CG1-CD1 4.2Å; I735-L741 HydrophobicContact CG1-CG 4.19Å
736	N	94.8	Very high	91.9	Very high	29 Å²	29	29.3 Å²	29.3	16%	0.155	15%	0.148	C	C	.	.			trans	-78.2	175.9	179.8	76.7	3.4	0	0	0	113.1	V684 E685 R738 G739 D740	V684-N736 HydrophobicContact CG1-CB 3.97Å; E685-N736 WeakPolarHBondContact OE2-CA 3.41Å; E685-N736 VanDerWaalsContact OE2-CB 3.25Å; E685-N736 WeakPolarHBondContact OE2-CB 3.33Å; N736-R738 PolarHBondContact O-N 2.94Å; N736-R738 WeakPolarHBondContact OD1-CA 3.05Å; N736-R738 WeakPolarHBondContact OD1-CB 3.45Å; N736-R738 PolarHBondContact OD1-N 3.02Å; N736-G739 PolarHBondContact O-N 3.43Å; N736-G739 PolarHBondContact OD1-N 3.03Å; N736-D740 PolarHBondContact N-O 3.27Å; N736-D740 VanDerWaalsContact N-O 3.16Å; N736-D740 PolarHBondContact ND2-OD2 3.29Å; N736-D740 PolarHBondContact OD1-N 2.84Å; N736-D740 PolarHBondContact OD1-OD2 2.98Å
737	S	91.9	Very high	90.5	Very high	100 Å²	100	29.7 Å²	29.7	70%	0.699	17%	0.166	S	C	*	.	S	Bend	trans	-62	-22.2	175.2	43.8	0	0	0	0	115.4	E685	E685-S737 WeakPolarHBondContact OE1-CB 3.42Å; E685-S737 PolarHBondContact OE1-N 3.33Å; E685-S737 PolarHBondContact OE1-OG 3.17Å
738	R	93.7	Very high	88.8	Confident	107 Å²	107	31.2 Å²	31.2	40%	0.404	18%	0.175	S	C	.	.	S	Bend	trans	-79.4	-32.9	175.4	-169.4	-171.5	-169.9	-169.8	2.6	112.5	N736 D740 S909 F911 D912	N736-R738 PolarHBondContact O-N 2.94Å; N736-R738 WeakPolarHBondContact OD1-CA 3.05Å; N736-R738 WeakPolarHBondContact OD1-CB 3.45Å; N736-R738 PolarHBondContact OD1-N 3.02Å; R738-D740 VanDerWaalsContact CD-OD2 3.3Å; R738-D740 WeakPolarHBondContact CD-OD2 3.27Å; R738-S909 PolarHBondContact NH1-OG 3.29Å; R738-F911 HydrophobicContact CG-CB 4.23Å; R738-F911 HydrophobicContact CG-CG 4.35Å; R738-F911 VanDerWaalsContact NE-CB 3.35Å; R738-F911 PolarHBondContact NH2-O 3.15Å; R738-D912 IonicContact CZ-OD1 3.68Å; R738-D912 VanDerWaalsContact CZ-OD1 3.23Å; R738-D912 IonicContact NH1-OD1 3.86Å; R738-D912 PolarHBondContact NH1-OD1 3.42Å; R738-D912 IonicContact NH2-OD1 2.72Å; R738-D912 PolarHBondContact NH2-OD1 3.15Å
739	G	95.3	Very high	86.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.18	C	C	.	.			trans	112.9	5.9	-172.9	0	0	0	0	0	115.2	F707 Q710 N736 L741 F911	F707-G739 WeakPolarHBondContact CE1-O 3.32Å; Q710-G739 PolarHBondContact NE2-O 3.28Å; N736-G739 PolarHBondContact O-N 3.43Å; N736-G739 PolarHBondContact OD1-N 3.03Å; G739-L741 PolarHBondContact O-N 2.86Å; G739-F911 WeakPolarHBondContact O-CE2 3.31Å
740	D	97.3	Very high	84.7	Confident	12 Å²	12	34.5 Å²	34.5	6%	0.064	19%	0.189	C	C	.	.			trans	-65.6	119.8	172.9	-59.9	-67.3	0	0	0	109.7	I735 N736 R738 S909	I735-D740 WeakPolarHBondContact CA-O 3.34Å; N736-D740 PolarHBondContact N-O 3.27Å; N736-D740 VanDerWaalsContact N-O 3.16Å; N736-D740 PolarHBondContact ND2-OD2 3.29Å; N736-D740 PolarHBondContact OD1-N 2.84Å; N736-D740 PolarHBondContact OD1-OD2 2.98Å; R738-D740 VanDerWaalsContact CD-OD2 3.3Å; R738-D740 WeakPolarHBondContact CD-OD2 3.27Å; D740-S909 VanDerWaalsContact OD1-CB 3.25Å; D740-S909 WeakPolarHBondContact OD1-CB 3.45Å; D740-S909 PolarHBondContact OD1-OG 3.29Å
741	L	98.2	Very high	82.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.3	173.1	-177.9	154.7	0	0	0	109.9	N663 F707 Q710 L711 L733 L734 I735 G739	N663-L741 VanDerWaalsContact CA-O 3.31Å; N663-L741 WeakPolarHBondContact CA-O 3.35Å; N663-L741 VanDerWaalsContact CB-O 3.3Å; N663-L741 WeakPolarHBondContact CB-O 3.31Å; N663-L741 PolarHBondContact ND2-O 2.6Å; F707-L741 HydrophobicContact CB-CD1 3.76Å; F707-L741 HydrophobicContact CD1-CB 3.96Å; F707-L741 HydrophobicContact CD1-CD1 3.96Å; F707-L741 HydrophobicContact CG-CD1 4.09Å; Q710-L741 HydrophobicContact CB-CB 4.03Å; Q710-L741 HydrophobicContact CB-CD2 4.49Å; L711-L741 HydrophobicContact CB-CD2 4.11Å; L733-L741 HydrophobicContact CB-CD1 4.41Å; L733-L741 HydrophobicContact CB-CD2 4.47Å; L733-L741 HydrophobicContact CB-CG 4.44Å; L733-L741 HydrophobicContact CD2-CD2 4.4Å; L734-L741 CarbonylContact O-C 3.5Å; L734-L741 VanDerWaalsContact O-CA 3.31Å; L734-L741 WeakPolarHBondContact O-CA 3.42Å; I735-L741 HydrophobicContact CD1-CD1 4.18Å; I735-L741 HydrophobicContact CG1-CB 4.27Å; I735-L741 HydrophobicContact CG1-CD1 4.2Å; I735-L741 HydrophobicContact CG1-CG 4.19Å; G739-L741 PolarHBondContact O-N 2.86Å
742	K	97.5	Very high	79.9	Confident	26 Å²	26	36.7 Å²	36.7	11%	0.113	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.1	-176	-57	-163.7	174.5	-162.1	0	112.6	A662 V665 E682 V684 L734	A662-K742 WeakPolarHBondContact O-CE 3.36Å; V665-K742 HydrophobicContact CG2-CB 3.68Å; V665-K742 HydrophobicContact CG2-CD 4.48Å; E682-K742 IonicContact OE1-NZ 3.37Å; E682-K742 PolarHBondContact OE1-NZ 3.49Å; E682-K742 IonicContact OE2-NZ 3.47Å; E682-K742 PolarHBondContact OE2-NZ 3.42Å; V684-K742 HydrophobicContact CG2-CD 4.45Å; L734-K742 PolarHBondContact N-O 2.86Å; L734-K742 PolarHBondContact O-N 3.34Å
743	L	95.6	Very high	76.9	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.7	169.8	-68.6	173.8	0	0	0	110.8	N663 I664 V665 L711 G714 L715 L728 L733 F746	N663-L743 PolarHBondContact O-N 2.94Å; I664-L743 HydrophobicContact CG1-CB 4.42Å; I664-L743 HydrophobicContact CG1-CD1 4.31Å; V665-L743 WeakPolarHBondContact CG2-O 3.39Å; V665-L743 PolarHBondContact N-O 2.96Å; L711-L743 HydrophobicContact CD1-CD2 3.7Å; G714-L743 VanDerWaalsContact C-CD1 3.47Å; L715-L743 HydrophobicContact CD2-CD1 3.92Å; L715-L743 HydrophobicContact CD2-CD2 4.29Å; L715-L743 HydrophobicContact CG-CD1 4.06Å; L715-L743 HydrophobicContact CG-CD2 4.39Å; L728-L743 HydrophobicContact CD2-CD2 3.86Å; L733-L743 HydrophobicContact CD2-CD2 3.6Å; L743-F746 HydrophobicContact CB-CE2 4.19Å; L743-F746 HydrophobicContact CB-CZ 3.87Å; L743-F746 HydrophobicContact CD1-CZ 4.4Å
744	A	90.9	Very high	73.8	Confident	11 Å²	11	44.2 Å²	44.2	9%	0.091	25%	0.251	C	S	.	.			trans	-128.2	165.8	-180	0	0	0	0	0	112.4	V665 H725 N732 L734	V665-A744 HydrophobicContact CG2-CB 3.79Å; H725-A744 PolarHBondContact CE1-O 3.34Å; H725-A744 PolarHBondContact NE2-O 2.95Å; N732-A744 WeakPolarHBondContact O-CB 3.25Å; N732-A744 PolarHBondContact O-N 3.38Å; L734-A744 HydrophobicContact CD1-CB 3.84Å; L734-A744 HydrophobicContact CG-CB 3.77Å
745	D	78.2	Confident	70.5	Confident	61 Å²	61	48.3 Å²	48.3	33%	0.326	28%	0.28	S	S	.	.			trans	51.1	66.6	-179.7	-147.8	-15.2	0	0	0	116.3	K635 G747	K635-D745 IonicContact NZ-OD1 3.34Å; K635-D745 PolarHBondContact NZ-OD1 2.93Å; K635-D745 IonicContact NZ-OD2 3.83Å; K635-D745 PolarHBondContact NZ-OD2 2.96Å; D745-G747 PolarHBondContact O-N 3.16Å; D745-G747 WeakPolarHBondContact OD1-CA 3.17Å; D745-G747 PolarHBondContact OD1-N 3.31Å; D745-G747 VanDerWaalsContact OD1-N 3.07Å
746	F	69.8	Low	67.7	Low	21 Å²	21	49.9 Å²	49.9	9%	0.092	29%	0.288	C	S	.	.			trans	-66.5	22	164.7	-67	-88.2	0	0	0	113.7	L656 L659 I664 I723 H725 L743 L748 A749	L656-F746 HydrophobicContact CD1-CB 3.87Å; L656-F746 HydrophobicContact CD2-CB 3.79Å; L656-F746 HydrophobicContact CD2-CD1 4.37Å; L656-F746 HydrophobicContact CD2-CG 4.04Å; L659-F746 HydrophobicContact CD1-CE1 4.46Å; I664-F746 HydrophobicContact CG2-CE2 3.79Å; I664-F746 HydrophobicContact CG2-CZ 3.98Å; I723-F746 HydrophobicContact CG2-CD1 4.34Å; H725-F746 AromaticContact CD2-CE1 4Å; L743-F746 HydrophobicContact CB-CE2 4.19Å; L743-F746 HydrophobicContact CB-CZ 3.87Å; L743-F746 HydrophobicContact CD1-CZ 4.4Å; F746-L748 PolarHBondContact O-N 2.95Å; F746-A749 HydrophobicContact CB-CB 3.77Å; F746-A749 HydrophobicContact CD1-CB 3.82Å; F746-A749 HydrophobicContact CG-CB 4.31Å; F746-A749 VanDerWaalsContact O-CB 3.22Å; F746-A749 WeakPolarHBondContact O-CB 3.39Å; F746-A749 PolarHBondContact O-N 2.81Å
747	G	55.2	Low	64.7	Low	56 Å²	56	57.6 Å²	57.6	58%	0.577	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-16	-172.7	0	0	0	0	0	116	D745	D745-G747 PolarHBondContact O-N 3.16Å; D745-G747 WeakPolarHBondContact OD1-CA 3.17Å; D745-G747 PolarHBondContact OD1-N 3.31Å; D745-G747 VanDerWaalsContact OD1-N 3.07Å
748	L	50.3	Low	61.8	Low	59 Å²	59	59 Å²	59	31%	0.309	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	3.9	171.8	-62.3	178.6	0	0	0	113.2	R726 D727 F746 R750 Y759	R726-L748 PolarHBondContact NE-O 2.95Å; R726-L748 PolarHBondContact NH1-O 2.92Å; D727-L748 HydrophobicContact CB-CD1 4.44Å; F746-L748 PolarHBondContact O-N 2.95Å; L748-R750 PolarHBondContact O-N 2.82Å; L748-Y759 HydrophobicContact CD2-CE1 3.83Å
749	A	51.1	Low	59	Low	17 Å²	17	58.1 Å²	58.1	14%	0.14	32%	0.322	C	S	.	.			trans	-83.8	65.6	-166.5	0	0	0	0	0	114	I723 L724 F746	I723-A749 HydrophobicContact CG2-CB 4.06Å; L724-A749 WeakPolarHBondContact O-CA 3.49Å; L724-A749 WeakPolarHBondContact O-CB 3.38Å; F746-A749 HydrophobicContact CB-CB 3.77Å; F746-A749 HydrophobicContact CD1-CB 3.82Å; F746-A749 HydrophobicContact CG-CB 4.31Å; F746-A749 VanDerWaalsContact O-CB 3.22Å; F746-A749 WeakPolarHBondContact O-CB 3.39Å; F746-A749 PolarHBondContact O-N 2.81Å
750	R	48.6	Very low	56.1	Low	94 Å²	94	62.7 Å²	62.7	36%	0.355	35%	0.354	S	S	.	.			trans	-74.1	147.3	168.1	-46.9	-168.3	172.8	143.4	1.8	111.2	E652 R726 L748 I754	E652-R750 IonicContact OE1-NE 3.44Å; E652-R750 WeakPolarHBondContact OE2-CG 3.47Å; E652-R750 IonicContact OE2-NE 3.95Å; E652-R750 PolarHBondContact OE2-NE 2.68Å; R726-R750 PolarHBondContact NH2-O 3.42Å; L748-R750 PolarHBondContact O-N 2.82Å; R750-I754 HydrophobicContact CB-CD1 4.29Å
751	A	42.6	Very low	53.4	Low	34 Å²	34	66.6 Å²	66.6	28%	0.281	38%	0.375	S	S	.	.			trans	-60.2	156.3	175.6	0	0	0	0	0	112.4	S753	A751-S753 PolarHBondContact O-N 3.04Å
752	K	41.9	Very low	50.6	Low	93 Å²	93	74.9 Å²	74.9	40%	0.404	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-9.7	-178.3	-75.8	-177.6	174.9	-179.8	0	116.5	R722 L724 T782	R722-K752 HydrophobicContact CB-CD 4.37Å; R722-K752 PolarHBondContact O-N 2.79Å; L724-K752 HydrophobicContact CD1-CG 4.14Å; L724-K752 HydrophobicContact CG-CG 4.22Å; K752-T782 PolarHBondContact NZ-OG1 3.34Å
753	S	30.6	Very low	48	Very low	103 Å²	103	79.9 Å²	79.9	72%	0.72	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	13.5	-170.1	59.9	0	0	0	0	115.5	A751	A751-S753 PolarHBondContact O-N 3.04Å
754	I	32.7	Very low	46.3	Very low	68 Å²	68	82.9 Å²	82.9	35%	0.349	46%	0.464	S	S	.	.	S	Bend	trans	-118.3	117.6	179.7	-58	179.3	0	0	0	109	R750 I756	R750-I754 HydrophobicContact CB-CD1 4.29Å; I754-I756 HydrophobicContact CG2-CG1 4.5Å; I754-I756 VanDerWaalsContact O-CG1 3.28Å; I754-I756 WeakPolarHBondContact O-CG1 3.43Å; I754-I756 PolarHBondContact O-N 3.04Å
755	P	27.7	Very low	45.3	Very low	124 Å²	124	85.8 Å²	85.8	81%	0.805	48%	0.481	S	S	*	.			trans	-66.6	111.6	172.2	-19.7	32.8	0	0	0	110.5	K757	P755-K757 PolarHBondContact O-N 3.47Å
756	I	38.8	Very low	45.9	Very low	32 Å²	32	83.5 Å²	83.5	16%	0.164	47%	0.469	C	S	.	.			trans	-96.3	94	-175.8	-49	-169.3	0	0	0	109.7	I754 T758 Y759	I754-I756 HydrophobicContact CG2-CG1 4.5Å; I754-I756 VanDerWaalsContact O-CG1 3.28Å; I754-I756 WeakPolarHBondContact O-CG1 3.43Å; I754-I756 PolarHBondContact O-N 3.04Å; I756-T758 PolarHBondContact O-N 3.03Å; I756-Y759 HydrophobicContact CD1-CE2 4.19Å; I756-Y759 HydrophobicContact CG2-CD2 3.67Å; I756-Y759 HydrophobicContact CG2-CE2 3.63Å
757	K	30.4	Very low	47.1	Very low	192 Å²	192	86.2 Å²	86.2	84%	0.835	48%	0.478	S	S	*	.			trans	-70.9	118.5	161.7	-68	-173	177.7	-175.8	0	108.4	P755	P755-K757 PolarHBondContact O-N 3.47Å
758	T	30.5	Very low	48.9	Very low	130 Å²	130	84.5 Å²	84.5	80%	0.798	46%	0.455	S	S	*	.			trans	45.2	93.4	162.3	54.8	0	0	0	0	117	I756	I756-T758 PolarHBondContact O-N 3.03Å
759	Y	35	Very low	51	Low	88 Å²	88	83.5 Å²	83.5	35%	0.345	45%	0.447	S	S	.	.			trans	-70.3	144.3	141.8	-79.7	-82.1	0	0	0	108.5	L748 I756	L748-Y759 HydrophobicContact CD2-CE1 3.83Å; I756-Y759 HydrophobicContact CD1-CE2 4.19Å; I756-Y759 HydrophobicContact CG2-CD2 3.67Å; I756-Y759 HydrophobicContact CG2-CE2 3.63Å
760	S	35.3	Very low	53	Low	96 Å²	96	82.9 Å²	82.9	67%	0.671	44%	0.441	S	S	*	.			trans	-64.5	136.9	172.1	44.3	0	0	0	0	110.4	E762	S760-E762 PolarHBondContact O-N 3.47Å
761	N	40.5	Very low	55.2	Low	93 Å²	93	78.4 Å²	78.4	50%	0.497	42%	0.424	S	S	.	.	S	Bend	trans	-80.7	-16.7	-165.2	-93.2	-45.5	0	0	0	114.9	R769	N761-R769 PolarHBondContact O-NH2 3.21Å; N761-R769 VanDerWaalsContact O-NH2 3.11Å; N761-R769 PolarHBondContact OD1-NH1 3.18Å
762	E	38.8	Very low	57.6	Low	175 Å²	175	77.2 Å²	77.2	82%	0.818	41%	0.413	S	S	*	.	S	Bend	trans	-102.5	-9.7	-141.7	-64.3	168.9	152.4	0	0	115.2	S760	S760-E762 PolarHBondContact O-N 3.47Å
763	V	44.4	Very low	59.9	Low	131 Å²	131	73.9 Å²	73.9	79%	0.794	40%	0.4	S	S	*	.	S	Bend	trans	-123.3	30.3	-174	-153.6	0	0	0	0	112.6
764	V	58.3	Low	62.8	Low	63 Å²	63	69.4 Å²	69.4	38%	0.382	37%	0.368	S	S	.	.	S	Bend	trans	-135.9	129	-178.6	-176	0	0	0	0	111	L766	V764-L766 PolarHBondContact O-N 3.29Å; V764-L766 VanDerWaalsContact O-N 3.14Å
765	T	71.1	Confident	65.5	Low	72 Å²	72	66.1 Å²	66.1	44%	0.442	35%	0.351	S	S	.	.			trans	-48.2	115.2	-179.7	-50.1	0	0	0	0	112.5	W767 Y768	T765-W767 VanDerWaalsContact C-N 3.28Å; T765-W767 HydrophobicContact CG2-CB 4.12Å; T765-W767 HydrophobicContact CG2-CD2 3.85Å; T765-W767 HydrophobicContact CG2-CE3 4.38Å; T765-W767 HydrophobicContact CG2-CG 3.7Å; T765-W767 PolarHBondContact O-N 2.99Å; T765-Y768 HydrophobicContact CG2-CE2 4.21Å
766	L	89.9	Confident	68.2	Low	13 Å²	13	62.1 Å²	62.1	7%	0.068	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-75.4	-14.4	-173.1	-59.2	179.6	0	0	0	114.1	V764 Y768 R769 T807 V808 Q811	V764-L766 PolarHBondContact O-N 3.29Å; V764-L766 VanDerWaalsContact O-N 3.14Å; L766-Y768 PolarHBondContact O-N 3.12Å; L766-R769 VanDerWaalsContact CD2-CZ 3.42Å; L766-R769 VanDerWaalsContact CD2-NH2 3.3Å; L766-R769 VanDerWaalsContact O-CB 3.23Å; L766-R769 WeakPolarHBondContact O-CB 3.31Å; L766-R769 PolarHBondContact O-N 3.39Å; L766-T807 WeakPolarHBondContact CD1-O 3.38Å; L766-V808 HydrophobicContact CD1-CG2 4.15Å; L766-V808 HydrophobicContact CD2-CG2 4.46Å; L766-Q811 HydrophobicContact CB-CB 4.29Å; L766-Q811 HydrophobicContact CB-CG 4.05Å; L766-Q811 HydrophobicContact CD1-CB 4.43Å; L766-Q811 PolarHBondContact O-NE2 3.14Å; L766-Q811 VanDerWaalsContact O-NE2 3.13Å
767	W	94.7	Very high	70.3	Confident	77 Å²	77	61.5 Å²	61.5	29%	0.292	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-60.6	-28.6	-161.9	-57	-5.1	0	0	0	115.3	T765 P801 F803 P804 G805 Q811	T765-W767 VanDerWaalsContact C-N 3.28Å; T765-W767 HydrophobicContact CG2-CB 4.12Å; T765-W767 HydrophobicContact CG2-CD2 3.85Å; T765-W767 HydrophobicContact CG2-CE3 4.38Å; T765-W767 HydrophobicContact CG2-CG 3.7Å; T765-W767 PolarHBondContact O-N 2.99Å; W767-P801 HydrophobicContact CD2-CB 4.44Å; W767-P801 HydrophobicContact CE3-CB 3.61Å; W767-P801 HydrophobicContact CE3-CG 3.99Å; W767-P801 HydrophobicContact CH2-CG 4.31Å; W767-P801 HydrophobicContact CZ3-CB 3.84Å; W767-P801 HydrophobicContact CZ3-CG 3.71Å; W767-F803 WeakPolarHBondContact CA-O 3.32Å; W767-F803 VanDerWaalsContact CB-O 3.29Å; W767-F803 WeakPolarHBondContact CB-O 3.46Å; W767-P804 VanDerWaalsContact CD1-C 3.5Å; W767-P804 HydrophobicContact CD2-CB 4.23Å; W767-P804 HydrophobicContact CH2-CB 4.45Å; W767-P804 HydrophobicContact CZ2-CB 4.03Å; W767-P804 VanDerWaalsContact NE1-C 3.26Å; W767-G805 PolarHBondContact NE1-O 3Å; W767-Q811 PolarHBondContact O-NE2 2.77Å
768	Y	94.8	Very high	72.7	Confident	21 Å²	21	58.1 Å²	58.1	8%	0.082	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-106.9	6.4	-179.5	-40.2	-82	0	0	0	112	L728 K729 P730 T765 L766 C791 I792 E795	L728-Y768 WeakPolarHBondContact O-CB 3.05Å; L728-Y768 WeakPolarHBondContact O-CD2 3.33Å; K729-Y768 HydrophobicContact CB-CD2 3.63Å; K729-Y768 HydrophobicContact CB-CE2 3.45Å; K729-Y768 VanDerWaalsContact CB-CE2 3.45Å; K729-Y768 HydrophobicContact CB-CG 4.4Å; P730-Y768 VanDerWaalsContact CD-CZ 3.4Å; P730-Y768 VanDerWaalsContact CD-OH 3.23Å; P730-Y768 WeakPolarHBondContact CD-OH 3.48Å; P730-Y768 HydrophobicContact CG-CE1 4.41Å; T765-Y768 HydrophobicContact CG2-CE2 4.21Å; L766-Y768 PolarHBondContact O-N 3.12Å; Y768-C791 HydrophobicContact CD1-CB 3.84Å; Y768-I792 HydrophobicContact CD1-CG1 4.02Å; Y768-I792 HydrophobicContact CE1-CG1 4.14Å; Y768-E795 PolarHBondContact OH-OE2 3.42Å
769	R	93.1	Very high	74.9	Confident	38 Å²	38	57 Å²	57	14%	0.143	31%	0.311	C	S	.	.			trans	-78	133.9	-179.3	-159.7	-178.8	-64.6	-169.2	4.4	110.2	N761 L766 I773 L774 W787	N761-R769 PolarHBondContact O-NH2 3.21Å; N761-R769 VanDerWaalsContact O-NH2 3.11Å; N761-R769 PolarHBondContact OD1-NH1 3.18Å; L766-R769 VanDerWaalsContact CD2-CZ 3.42Å; L766-R769 VanDerWaalsContact CD2-NH2 3.3Å; L766-R769 VanDerWaalsContact O-CB 3.23Å; L766-R769 WeakPolarHBondContact O-CB 3.31Å; L766-R769 PolarHBondContact O-N 3.39Å; R769-I773 HydrophobicContact CG-CB 4.44Å; R769-I773 HydrophobicContact CG-CG2 4.27Å; R769-L774 HydrophobicContact CB-CD1 4.38Å; R769-L774 HydrophobicContact CB-CD2 4.37Å; R769-L774 HydrophobicContact CB-CG 4.27Å; R769-L774 HydrophobicContact CG-CD2 4.34Å; R769-L774 HydrophobicContact CG-CG 4.15Å; R769-W787 PolarHBondContact O-NE1 3.16Å; R769-W787 VanDerWaalsContact O-NE1 3.16Å
770	P	94.4	Very high	76.9	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.019	31%	0.312	C	S	.	.			trans	-68.4	150.9	179.1	-21.4	32.5	0	0	0	114.6	D772 I773 L774 I784 W787	P770-D772 WeakPolarHBondContact CB-OD1 3.29Å; P770-D772 PolarHBondContact O-N 3.24Å; P770-I773 HydrophobicContact CB-CB 4.42Å; P770-I773 HydrophobicContact CB-CG1 4.08Å; P770-I773 HydrophobicContact CG-CG1 4.07Å; P770-I773 PolarHBondContact O-N 3.34Å; P770-L774 WeakPolarHBondContact O-CD1 3.49Å; P770-L774 WeakPolarHBondContact O-CG 3.24Å; P770-L774 PolarHBondContact O-N 2.66Å; P770-I784 HydrophobicContact CG-CB 4.25Å; P770-I784 HydrophobicContact CG-CG1 4.37Å; P770-I784 HydrophobicContact CG-CG2 3.93Å; P770-W787 HydrophobicContact CB-CB 4.2Å; P770-W787 HydrophobicContact CB-CG 4.02Å; P770-W787 HydrophobicContact CG-CB 3.97Å; P770-W787 HydrophobicContact CG-CG 4.1Å
771	P	94.3	Very high	79.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.8	-33.4	179.6	26.5	-34.3	0	0	0	113.2	L774 L775 W787 L812 I815 F873	P771-L774 PolarHBondContact O-N 2.64Å; P771-L775 VanDerWaalsContact O-CB 3.3Å; P771-L775 WeakPolarHBondContact O-CB 3.46Å; P771-L775 VanDerWaalsContact O-CG 3.29Å; P771-L775 WeakPolarHBondContact O-CG 3.46Å; P771-L775 PolarHBondContact O-N 3.18Å; P771-W787 HydrophobicContact CG-CE3 4.35Å; P771-W787 HydrophobicContact CG-CH2 3.82Å; P771-W787 HydrophobicContact CG-CZ2 4.21Å; P771-W787 HydrophobicContact CG-CZ3 3.89Å; P771-L812 HydrophobicContact CB-CD2 4.27Å; P771-I815 HydrophobicContact CB-CD1 4.4Å; P771-I815 HydrophobicContact CB-CG2 4.45Å; P771-F873 HydrophobicContact CB-CD1 4.13Å; P771-F873 HydrophobicContact CB-CE1 4.36Å; P771-F873 HydrophobicContact CG-CD1 3.73Å; P771-F873 HydrophobicContact CG-CE1 4.24Å
772	D	91.9	Very high	81.8	Confident	10 Å²	10	50.2 Å²	50.2	5%	0.053	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-40	172.1	47.3	-15.8	0	0	0	112.2	P770 L775 G776 S777 W827 G875 R878	P770-D772 WeakPolarHBondContact CB-OD1 3.29Å; P770-D772 PolarHBondContact O-N 3.24Å; D772-L775 CarbonylContact O-C 3.59Å; D772-L775 PolarHBondContact O-N 2.99Å; D772-G776 PolarHBondContact O-N 2.98Å; D772-S777 WeakPolarHBondContact O-CA 3.47Å; D772-S777 WeakPolarHBondContact O-CB 3.32Å; D772-S777 PolarHBondContact O-N 2.8Å; D772-W827 HydrophobicContact CB-CH2 3.9Å; D772-W827 HydrophobicContact CB-CZ2 3.91Å; D772-G875 WeakPolarHBondContact OD2-CA 3.47Å; D772-G875 PolarHBondContact OD2-N 3.17Å; D772-G875 VanDerWaalsContact OD2-N 3.14Å; D772-R878 IonicContact OD1-CZ 2.86Å; D772-R878 IonicContact OD1-NH1 2.79Å; D772-R878 PolarHBondContact OD1-NH1 3.33Å; D772-R878 IonicContact OD1-NH2 2.65Å; D772-R878 PolarHBondContact OD1-NH2 3.46Å; D772-R878 IonicContact OD2-CZ 2.62Å; D772-R878 IonicContact OD2-NH1 3.6Å; D772-R878 PolarHBondContact OD2-NH1 3.25Å; D772-R878 IonicContact OD2-NH2 2.66Å; D772-R878 PolarHBondContact OD2-NH2 2.76Å
773	I	90.5	Very high	84.4	Confident	23 Å²	23	43.9 Å²	43.9	12%	0.118	24%	0.241	C	C	.	.	H	α-helix	trans	-74.1	-35.7	175.2	-54.7	-60.2	0	0	0	111.8	R769 P770 L775 G776 Y780 I784	R769-I773 HydrophobicContact CG-CB 4.44Å; R769-I773 HydrophobicContact CG-CG2 4.27Å; P770-I773 HydrophobicContact CB-CB 4.42Å; P770-I773 HydrophobicContact CB-CG1 4.08Å; P770-I773 HydrophobicContact CG-CG1 4.07Å; P770-I773 PolarHBondContact O-N 3.34Å; I773-L775 VanDerWaalsContact C-N 3.28Å; I773-L775 PolarHBondContact O-N 2.86Å; I773-G776 PolarHBondContact O-N 3.18Å; I773-Y780 HydrophobicContact CD1-CE1 4.44Å; I773-I784 HydrophobicContact CD1-CD1 3.67Å; I773-I784 HydrophobicContact CD1-CG1 4.03Å; I773-I784 HydrophobicContact CG1-CD1 3.96Å; I773-I784 HydrophobicContact CG1-CG1 3.96Å
774	L	91.3	Very high	86.7	Confident	8 Å²	8	38.4 Å²	38.4	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-67.3	-27.3	173.7	-71.7	160	0	0	0	112.8	R769 P770 P771 G776 V808 Q811 L812 I815	R769-L774 HydrophobicContact CB-CD1 4.38Å; R769-L774 HydrophobicContact CB-CD2 4.37Å; R769-L774 HydrophobicContact CB-CG 4.27Å; R769-L774 HydrophobicContact CG-CD2 4.34Å; R769-L774 HydrophobicContact CG-CG 4.15Å; P770-L774 WeakPolarHBondContact O-CD1 3.49Å; P770-L774 WeakPolarHBondContact O-CG 3.24Å; P770-L774 PolarHBondContact O-N 2.66Å; P771-L774 PolarHBondContact O-N 2.64Å; L774-G776 VanDerWaalsContact C-N 3.34Å; L774-V808 HydrophobicContact CB-CG1 4.39Å; L774-V808 HydrophobicContact CD2-CB 4.3Å; L774-V808 HydrophobicContact CD2-CG1 3.91Å; L774-V808 HydrophobicContact CD2-CG2 4.07Å; L774-Q811 HydrophobicContact CD1-CB 4.33Å; L774-Q811 HydrophobicContact CD1-CG 3.51Å; L774-Q811 HydrophobicContact CD2-CB 4.49Å; L774-Q811 HydrophobicContact CD2-CG 4.21Å; L774-L812 HydrophobicContact CB-CD1 4.26Å; L774-L812 HydrophobicContact CB-CD2 3.71Å; L774-L812 HydrophobicContact CB-CG 3.97Å; L774-L812 HydrophobicContact CD1-CD2 4.17Å; L774-L812 HydrophobicContact CD1-CG 4.42Å; L774-I815 HydrophobicContact CD1-CD1 3.85Å
775	L	90.7	Very high	88.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	19	173.9	-68.5	178.6	0	0	0	113.3	P771 D772 I773 L812 F816 W827 V830 H833 D835 Y836	P771-L775 VanDerWaalsContact O-CB 3.3Å; P771-L775 WeakPolarHBondContact O-CB 3.46Å; P771-L775 VanDerWaalsContact O-CG 3.29Å; P771-L775 WeakPolarHBondContact O-CG 3.46Å; P771-L775 PolarHBondContact O-N 3.18Å; D772-L775 CarbonylContact O-C 3.59Å; D772-L775 PolarHBondContact O-N 2.99Å; I773-L775 VanDerWaalsContact C-N 3.28Å; I773-L775 PolarHBondContact O-N 2.86Å; L775-L812 HydrophobicContact CD2-CD1 3.66Å; L775-L812 HydrophobicContact CD2-CD2 4.24Å; L775-L812 HydrophobicContact CG-CD1 4.26Å; L775-L812 HydrophobicContact CG-CD2 4.02Å; L775-F816 HydrophobicContact CD1-CZ 4.39Å; L775-W827 HydrophobicContact CD1-CH2 3.79Å; L775-W827 HydrophobicContact CD1-CZ3 3.84Å; L775-V830 HydrophobicContact CD1-CG2 4.5Å; L775-H833 HydrophobicContact CB-CB 4.03Å; L775-H833 PolarHBondContact O-ND1 3.02Å; L775-D835 HydrophobicContact CD2-CB 4.34Å; L775-Y836 HydrophobicContact CD1-CD2 4.22Å
776	G	83.9	Confident	89.7	Confident	39 Å²	39	32 Å²	32	40%	0.402	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	17.9	170.5	0	0	0	0	0	116.3	D772 I773 L774 T778	D772-G776 PolarHBondContact O-N 2.98Å; I773-G776 PolarHBondContact O-N 3.18Å; L774-G776 VanDerWaalsContact C-N 3.34Å; G776-T778 PolarHBondContact O-N 3.23Å
777	S	83.3	Confident	90	Very high	19 Å²	19	31.4 Å²	31.4	13%	0.133	17%	0.165	C	C	.	.			trans	-59.5	135.7	171.2	-175.5	0	0	0	0	111.6	D772 E779	D772-S777 WeakPolarHBondContact O-CA 3.47Å; D772-S777 WeakPolarHBondContact O-CB 3.32Å; D772-S777 PolarHBondContact O-N 2.8Å; S777-E779 PolarHBondContact OG-N 2.87Å
778	T	79.2	Confident	90.1	Very high	122 Å²	122	27.9 Å²	27.9	75%	0.748	15%	0.152	S	C	*	.			trans	-91.2	-2.8	174.8	53.8	0	0	0	0	113	G776 Y780	G776-T778 PolarHBondContact O-N 3.23Å; T778-Y780 VanDerWaalsContact O-CD2 3.28Å; T778-Y780 WeakPolarHBondContact O-CD2 3.46Å; T778-Y780 PolarHBondContact O-N 2.9Å
779	E	77.5	Confident	90.3	Very high	105 Å²	105	26.9 Å²	26.9	49%	0.491	15%	0.148	S	C	.	.			trans	-79.3	76.1	-175.5	-64.9	-161	154.3	0	0	113.4	S777 S781	S777-E779 PolarHBondContact OG-N 2.87Å; E779-S781 VanDerWaalsContact C-N 3.26Å; E779-S781 PolarHBondContact O-N 2.81Å
780	Y	77.9	Confident	90.5	Very high	92 Å²	92	25 Å²	25	36%	0.361	14%	0.141	S	C	.	.			trans	-69.5	77.5	176.1	-71.4	-79.8	0	0	0	113	I773 T778 I784	I773-Y780 HydrophobicContact CD1-CE1 4.44Å; T778-Y780 VanDerWaalsContact O-CD2 3.28Å; T778-Y780 WeakPolarHBondContact O-CD2 3.46Å; T778-Y780 PolarHBondContact O-N 2.9Å; Y780-I784 HydrophobicContact CD1-CD1 3.64Å; Y780-I784 HydrophobicContact CE1-CD1 4.31Å; Y780-I784 HydrophobicContact CG-CD1 4.39Å
781	S	86.3	Confident	90.7	Very high	26 Å²	26	25 Å²	25	18%	0.182	14%	0.141	C	C	.	.			trans	-111	169.5	-176.2	76.4	0	0	0	0	113.3	E779 H783 I784	E779-S781 VanDerWaalsContact C-N 3.26Å; E779-S781 PolarHBondContact O-N 2.81Å; S781-H783 PolarHBondContact O-N 3.48Å; S781-H783 VanDerWaalsContact O-N 3.08Å; S781-H783 PolarHBondContact OG-ND1 2.98Å; S781-I784 WeakPolarHBondContact O-CB 3.45Å; S781-I784 WeakPolarHBondContact O-CG1 3.32Å; S781-I784 PolarHBondContact O-N 3.19Å; S781-I784 VanDerWaalsContact O-N 3.17Å
782	T	91.2	Very high	90.9	Very high	18 Å²	18	25 Å²	25	11%	0.11	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-12.9	179.7	24.4	0	0	0	0	114.1	H719 L724 K752 I784	H719-T782 HydrophobicContact CB-CG2 3.78Å; H719-T782 VanDerWaalsContact CD2-CG2 3.47Å; H719-T782 WeakPolarHBondContact CD2-CG2 3.48Å; H719-T782 PolarHBondContact CE1-O 3.07Å; H719-T782 VanDerWaalsContact CE1-O 3.24Å; L724-T782 HydrophobicContact CD2-CG2 3.56Å; K752-T782 PolarHBondContact NZ-OG1 3.34Å; T782-I784 VanDerWaalsContact C-N 3.28Å; T782-I784 PolarHBondContact O-N 2.65Å
783	H	93.2	Very high	91.2	Very high	42 Å²	42	24.5 Å²	24.5	19%	0.194	14%	0.138	C	C	.	.	H	α-helix	trans	-78.6	-9.4	177.5	-44.6	104.2	0	0	0	113.6	S781 G875 R878	S781-H783 PolarHBondContact O-N 3.48Å; S781-H783 VanDerWaalsContact O-N 3.08Å; S781-H783 PolarHBondContact OG-ND1 2.98Å; H783-G875 WeakPolarHBondContact CB-O 3.28Å; H783-G875 PolarHBondContact CD2-O 2.72Å; H783-R878 HydrophobicContact CB-CB 4.48Å; H783-R878 WeakPolarHBondContact O-CD 3.48Å; H783-R878 PolarHBondContact O-NH1 2.83Å
784	I	92.7	Very high	91.5	Very high	15 Å²	15	24.3 Å²	24.3	8%	0.077	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-50.4	168.6	-68.2	175.7	0	0	0	109.6	P770 I773 Y780 S781 T782 M786 W787	P770-I784 HydrophobicContact CG-CB 4.25Å; P770-I784 HydrophobicContact CG-CG1 4.37Å; P770-I784 HydrophobicContact CG-CG2 3.93Å; I773-I784 HydrophobicContact CD1-CD1 3.67Å; I773-I784 HydrophobicContact CD1-CG1 4.03Å; I773-I784 HydrophobicContact CG1-CD1 3.96Å; I773-I784 HydrophobicContact CG1-CG1 3.96Å; Y780-I784 HydrophobicContact CD1-CD1 3.64Å; Y780-I784 HydrophobicContact CE1-CD1 4.31Å; Y780-I784 HydrophobicContact CG-CD1 4.39Å; S781-I784 WeakPolarHBondContact O-CB 3.45Å; S781-I784 WeakPolarHBondContact O-CG1 3.32Å; S781-I784 PolarHBondContact O-N 3.19Å; S781-I784 VanDerWaalsContact O-N 3.17Å; T782-I784 VanDerWaalsContact C-N 3.28Å; T782-I784 PolarHBondContact O-N 2.65Å; I784-M786 VanDerWaalsContact C-N 3.25Å; I784-M786 PolarHBondContact O-N 2.78Å; I784-W787 PolarHBondContact O-N 2.76Å
785	D	94.6	Very high	91.8	Very high	2 Å²	2	24 Å²	24	1%	0.011	13%	0.134	C	C	.	.	H	α-helix	trans	-60.3	-37	-179.3	-65.5	-16.5	0	0	0	111.3	L715 H719 H725 R726 L728 W787 G788 V789	L715-D785 HydrophobicContact CD2-CB 4.31Å; H719-D785 IonicContact CD2-OD2 2.74Å; H719-D785 IonicContact CE1-OD2 3.51Å; H719-D785 IonicContact NE2-OD2 3.49Å; H719-D785 PolarHBondContact NE2-OD2 3.38Å; H725-D785 PolarHBondContact N-OD1 2.79Å; H725-D785 PolarHBondContact N-OD2 3.16Å; R726-D785 PolarHBondContact N-OD1 3.27Å; L728-D785 HydrophobicContact CD1-CB 3.74Å; L728-D785 VanDerWaalsContact CD1-O 3.31Å; L728-D785 WeakPolarHBondContact CD1-O 3.44Å; D785-W787 PolarHBondContact O-N 2.69Å; D785-G788 WeakPolarHBondContact O-CA 3.11Å; D785-G788 PolarHBondContact O-N 2.82Å; D785-G788 VanDerWaalsContact O-N 3.12Å; D785-V789 WeakPolarHBondContact O-CG2 3.26Å; D785-V789 PolarHBondContact O-N 3.04Å
786	M	97.8	Very high	92.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.4	-32.5	-176.7	-55.8	-47.6	-51.8	0	0	113.7	L712 I784 V789 G790 L870 R878 I879 A881	L712-M786 HydrophobicContact CD2-CE 3.67Å; I784-M786 VanDerWaalsContact C-N 3.25Å; I784-M786 PolarHBondContact O-N 2.78Å; M786-V789 HydrophobicContact CE-CG2 4.44Å; M786-V789 WeakPolarHBondContact O-CB 3.43Å; M786-V789 PolarHBondContact O-N 2.84Å; M786-G790 PolarHBondContact O-N 2.64Å; M786-G790 VanDerWaalsContact O-N 3.14Å; M786-L870 HydrophobicContact CB-CD2 4.26Å; M786-L870 HydrophobicContact CE-CD2 3.57Å; M786-R878 HydrophobicContact CB-CB 4.39Å; M786-I879 WeakPolarHBondContact CE-O 3.25Å; M786-I879 WeakPolarHBondContact CG-O 3.45Å; M786-A881 HydrophobicContact CE-CB 4.04Å; M786-A881 HydrophobicContact SD-CB 3.84Å; M786-A881 PolarHBondContact SD-N 2.98Å
787	W	97.5	Very high	92.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.5	-43.5	171.3	174.8	-88.2	0	0	0	111.2	R769 P770 P771 I784 D785 V789 G790 C791 F803 I815 L819 L871	R769-W787 PolarHBondContact O-NE1 3.16Å; R769-W787 VanDerWaalsContact O-NE1 3.16Å; P770-W787 HydrophobicContact CB-CB 4.2Å; P770-W787 HydrophobicContact CB-CG 4.02Å; P770-W787 HydrophobicContact CG-CB 3.97Å; P770-W787 HydrophobicContact CG-CG 4.1Å; P771-W787 HydrophobicContact CG-CE3 4.35Å; P771-W787 HydrophobicContact CG-CH2 3.82Å; P771-W787 HydrophobicContact CG-CZ2 4.21Å; P771-W787 HydrophobicContact CG-CZ3 3.89Å; I784-W787 PolarHBondContact O-N 2.76Å; D785-W787 PolarHBondContact O-N 2.69Å; W787-V789 VanDerWaalsContact C-N 3.29Å; W787-V789 PolarHBondContact O-N 3.04Å; W787-G790 WeakPolarHBondContact O-CA 3.46Å; W787-G790 PolarHBondContact O-N 3.38Å; W787-C791 PolarHBondContact O-N 3.2Å; W787-F803 HydrophobicContact CH2-CE2 4.03Å; W787-F803 HydrophobicContact CH2-CZ 4.35Å; W787-F803 HydrophobicContact CZ2-CD2 4.02Å; W787-F803 AromaticContact CZ2-CE2 3.42Å; W787-F803 HydrophobicContact CZ2-CE2 3.42Å; W787-F803 VanDerWaalsContact CZ2-CE2 3.42Å; W787-F803 HydrophobicContact CZ2-CZ 4.14Å; W787-I815 HydrophobicContact CH2-CG2 3.88Å; W787-I815 HydrophobicContact CZ2-CD1 3.88Å; W787-I815 HydrophobicContact CZ2-CG1 4.05Å; W787-I815 HydrophobicContact CZ2-CG2 4.16Å; W787-L819 HydrophobicContact CH2-CD1 3.66Å; W787-L819 HydrophobicContact CZ3-CD1 4.11Å; W787-L871 HydrophobicContact CD2-CD2 3.97Å; W787-L871 HydrophobicContact CE3-CB 4.48Å; W787-L871 HydrophobicContact CE3-CD2 3.91Å; W787-L871 HydrophobicContact CH2-CD2 4.32Å; W787-L871 HydrophobicContact CZ2-CD2 4.37Å; W787-L871 HydrophobicContact CZ3-CB 4.18Å; W787-L871 HydrophobicContact CZ3-CD2 4.1Å
788	G	96.5	Very high	93.1	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-57.9	-40.1	173.9	0	0	0	0	0	112.6	D785 G790 C791 I792	D785-G788 WeakPolarHBondContact O-CA 3.11Å; D785-G788 PolarHBondContact O-N 2.82Å; D785-G788 VanDerWaalsContact O-N 3.12Å; G788-G790 VanDerWaalsContact C-N 3.34Å; G788-G790 PolarHBondContact O-N 2.85Å; G788-C791 PolarHBondContact O-N 2.97Å; G788-I792 WeakPolarHBondContact O-CB 3.44Å; G788-I792 VanDerWaalsContact O-CG1 3.26Å; G788-I792 WeakPolarHBondContact O-CG1 3.32Å; G788-I792 PolarHBondContact O-N 3.26Å
789	V	98.4	Very high	93.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.8	-41.6	171.7	178.1	0	0	0	0	111.7	L708 L711 L712 L715 L728 D785 M786 W787 I792 F793 L870	L708-V789 HydrophobicContact CD1-CG1 3.6Å; L711-V789 HydrophobicContact CD2-CB 4.49Å; L711-V789 HydrophobicContact CD2-CG1 4.13Å; L711-V789 HydrophobicContact CD2-CG2 4.12Å; L711-V789 HydrophobicContact CG-CG2 4.19Å; L712-V789 HydrophobicContact CD2-CG1 3.92Å; L712-V789 HydrophobicContact CG-CG1 4.43Å; L715-V789 HydrophobicContact CD1-CG2 3.26Å; L728-V789 HydrophobicContact CD1-CG2 4.21Å; D785-V789 WeakPolarHBondContact O-CG2 3.26Å; D785-V789 PolarHBondContact O-N 3.04Å; M786-V789 HydrophobicContact CE-CG2 4.44Å; M786-V789 WeakPolarHBondContact O-CB 3.43Å; M786-V789 PolarHBondContact O-N 2.84Å; W787-V789 VanDerWaalsContact C-N 3.29Å; W787-V789 PolarHBondContact O-N 3.04Å; V789-I792 PolarHBondContact O-N 3.45Å; V789-F793 VanDerWaalsContact O-CB 3.28Å; V789-F793 WeakPolarHBondContact O-CB 3.27Å; V789-F793 PolarHBondContact O-N 3.02Å; V789-L870 HydrophobicContact CB-CD2 4.37Å; V789-L870 HydrophobicContact CG1-CD1 4.06Å; V789-L870 HydrophobicContact CG1-CD2 4.27Å
790	G	98.1	Very high	94.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.5	-46.8	175.4	0	0	0	0	0	113.1	M786 W787 G788 F793 Y794	M786-G790 PolarHBondContact O-N 2.64Å; M786-G790 VanDerWaalsContact O-N 3.14Å; W787-G790 WeakPolarHBondContact O-CA 3.46Å; W787-G790 PolarHBondContact O-N 3.38Å; G788-G790 VanDerWaalsContact C-N 3.34Å; G788-G790 PolarHBondContact O-N 2.85Å; G790-F793 PolarHBondContact O-N 2.62Å; G790-Y794 PolarHBondContact O-N 2.96Å
791	C	98	Very high	95.3	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-62.1	-45.3	175.6	-68.5	0	0	0	0	112.3	Y768 W787 G788 F793 Y794 E795	Y768-C791 HydrophobicContact CD1-CB 3.84Å; W787-C791 PolarHBondContact O-N 3.2Å; G788-C791 PolarHBondContact O-N 2.97Å; C791-F793 VanDerWaalsContact C-N 3.35Å; C791-F793 PolarHBondContact O-N 3.44Å; C791-Y794 PolarHBondContact O-N 2.72Å; C791-E795 PolarHBondContact O-N 3.4Å
792	I	97.8	Very high	95.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.8	-35.1	179.9	-67.8	169.8	0	0	0	111.1	L688 L711 L728 P730 L733 Y768 G788 V789 Y794 E795 M796	L688-I792 HydrophobicContact CD2-CG2 3.7Å; L711-I792 HydrophobicContact CD2-CG2 4.21Å; L728-I792 HydrophobicContact CB-CD1 4.19Å; P730-I792 HydrophobicContact CG-CG1 4.5Å; L733-I792 HydrophobicContact CD1-CD1 3.99Å; L733-I792 HydrophobicContact CD1-CG2 3.85Å; Y768-I792 HydrophobicContact CD1-CG1 4.02Å; Y768-I792 HydrophobicContact CE1-CG1 4.14Å; G788-I792 WeakPolarHBondContact O-CB 3.44Å; G788-I792 VanDerWaalsContact O-CG1 3.26Å; G788-I792 WeakPolarHBondContact O-CG1 3.32Å; G788-I792 PolarHBondContact O-N 3.26Å; V789-I792 PolarHBondContact O-N 3.45Å; I792-Y794 PolarHBondContact O-N 3.06Å; I792-E795 PolarHBondContact O-N 3.44Å; I792-M796 HydrophobicContact CG2-CE 4.33Å; I792-M796 HydrophobicContact CG2-CG 4.39Å; I792-M796 WeakPolarHBondContact O-CG 3.41Å; I792-M796 PolarHBondContact O-N 2.85Å
793	F	98.2	Very high	96.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.3	-42.1	174.3	-176.9	-160.7	0	0	0	112	V704 L708 V789 G790 C791 M796 A797 L859 A863 L866 M867 L870 Y889	V704-F793 HydrophobicContact CG1-CD2 3.87Å; V704-F793 HydrophobicContact CG1-CE2 3.78Å; L708-F793 HydrophobicContact CD1-CB 4.01Å; L708-F793 HydrophobicContact CD1-CD2 4.47Å; L708-F793 HydrophobicContact CD1-CG 4.14Å; L708-F793 HydrophobicContact CD2-CD1 3.79Å; L708-F793 HydrophobicContact CD2-CD2 3.78Å; L708-F793 HydrophobicContact CD2-CE1 3.73Å; L708-F793 HydrophobicContact CD2-CE2 3.73Å; L708-F793 HydrophobicContact CD2-CG 3.8Å; L708-F793 HydrophobicContact CD2-CZ 3.69Å; V789-F793 VanDerWaalsContact O-CB 3.28Å; V789-F793 WeakPolarHBondContact O-CB 3.27Å; V789-F793 PolarHBondContact O-N 3.02Å; G790-F793 PolarHBondContact O-N 2.62Å; C791-F793 VanDerWaalsContact C-N 3.35Å; C791-F793 PolarHBondContact O-N 3.44Å; F793-M796 PolarHBondContact O-N 3.24Å; F793-A797 WeakPolarHBondContact O-CB 3.39Å; F793-A797 PolarHBondContact O-N 3.39Å; F793-A797 VanDerWaalsContact O-N 3.1Å; F793-L859 HydrophobicContact CE2-CD1 4.16Å; F793-L859 HydrophobicContact CE2-CD2 3.98Å; F793-L859 HydrophobicContact CZ-CD1 4.2Å; F793-L859 HydrophobicContact CZ-CD2 4.38Å; F793-A863 HydrophobicContact CE1-CB 4.36Å; F793-A863 WeakPolarHBondContact CE1-O 3.42Å; F793-A863 HydrophobicContact CZ-CB 3.64Å; F793-L866 HydrophobicContact CE1-CB 4.38Å; F793-L866 HydrophobicContact CE1-CD2 4.37Å; F793-L866 HydrophobicContact CE1-CG 4.4Å; F793-M867 HydrophobicContact CB-CE 4.26Å; F793-M867 HydrophobicContact CD1-CB 4.02Å; F793-M867 HydrophobicContact CD1-CE 3.7Å; F793-M867 HydrophobicContact CD1-CG 4.43Å; F793-M867 HydrophobicContact CD2-CE 4.31Å; F793-M867 HydrophobicContact CE1-CB 4.06Å; F793-M867 HydrophobicContact CE1-CE 4.13Å; F793-M867 HydrophobicContact CG-CE 3.82Å; F793-L870 HydrophobicContact CD1-CD1 4.36Å; F793-Y889 HydrophobicContact CE2-CE1 4.28Å; F793-Y889 HydrophobicContact CZ-CD1 4.41Å; F793-Y889 AromaticContact CZ-CE1 3.85Å; F793-Y889 HydrophobicContact CZ-CE1 3.85Å
794	Y	97.6	Very high	96.2	Very high	18 Å²	18	16.7 Å²	16.7	7%	0.071	8%	0.084	C	C	.	.	H	α-helix	trans	-63	-43.7	173.1	177.9	-82.7	0	0	0	111.9	G790 C791 I792 M796 A797 T798 W800 L802 L855 T856 M867	G790-Y794 PolarHBondContact O-N 2.96Å; C791-Y794 PolarHBondContact O-N 2.72Å; I792-Y794 PolarHBondContact O-N 3.06Å; Y794-M796 PolarHBondContact O-N 2.91Å; Y794-A797 PolarHBondContact O-N 3.41Å; Y794-A797 VanDerWaalsContact O-N 3.17Å; Y794-T798 HydrophobicContact CD1-CG2 4.29Å; Y794-T798 HydrophobicContact CD2-CG2 4.35Å; Y794-T798 HydrophobicContact CE1-CG2 3.93Å; Y794-T798 WeakPolarHBondContact CE1-OG1 3.2Å; Y794-T798 HydrophobicContact CE2-CG2 4.01Å; Y794-T798 HydrophobicContact CG-CG2 4.49Å; Y794-T798 WeakPolarHBondContact O-CG2 3.26Å; Y794-T798 PolarHBondContact O-N 2.83Å; Y794-T798 PolarHBondContact O-OG1 3.3Å; Y794-W800 WeakPolarHBondContact CD1-O 3.23Å; Y794-W800 WeakPolarHBondContact CE1-O 3.28Å; Y794-L802 HydrophobicContact CD1-CB 3.55Å; Y794-L802 HydrophobicContact CD1-CD1 3.93Å; Y794-L802 HydrophobicContact CD1-CG 4.2Å; Y794-L802 HydrophobicContact CD2-CD1 3.76Å; Y794-L802 HydrophobicContact CD2-CD2 4.43Å; Y794-L802 HydrophobicContact CD2-CG 4.49Å; Y794-L802 HydrophobicContact CE1-CB 4.07Å; Y794-L802 HydrophobicContact CE1-CD1 3.91Å; Y794-L802 HydrophobicContact CE2-CD1 3.73Å; Y794-L802 HydrophobicContact CG-CB 3.89Å; Y794-L802 HydrophobicContact CG-CD1 3.85Å; Y794-L802 HydrophobicContact CG-CD2 4.15Å; Y794-L802 HydrophobicContact CG-CG 4.16Å; Y794-L855 HydrophobicContact CE2-CB 3.88Å; Y794-L855 HydrophobicContact CE2-CD1 4.26Å; Y794-T856 HydrophobicContact CD2-CG2 3.49Å; Y794-T856 VanDerWaalsContact CD2-CG2 3.49Å; Y794-T856 HydrophobicContact CE2-CG2 3.63Å; Y794-T856 HydrophobicContact CG-CG2 4.47Å; Y794-M867 HydrophobicContact CD2-SD 4.23Å
795	E	96.8	Very high	96.2	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-67	-35.9	179.4	-174.8	166.1	-175.4	0	0	112.4	K689 L692 Y768 C791 I792 A797 G799 W800	K689-E795 IonicContact NZ-OE1 2.6Å; K689-E795 PolarHBondContact NZ-OE1 2.86Å; L692-E795 HydrophobicContact CD1-CG 3.92Å; Y768-E795 PolarHBondContact OH-OE2 3.42Å; C791-E795 PolarHBondContact O-N 3.4Å; I792-E795 PolarHBondContact O-N 3.44Å; E795-A797 VanDerWaalsContact C-N 3.33Å; E795-A797 PolarHBondContact O-N 3.42Å; E795-G799 VanDerWaalsContact O-CA 3.28Å; E795-G799 WeakPolarHBondContact O-CA 3.44Å; E795-G799 PolarHBondContact O-N 3.36Å; E795-W800 WeakPolarHBondContact CA-O 3.49Å
796	M	96.8	Very high	96	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-34.9	170.8	-72	-168.3	-63.4	0	0	113	L688 M699 V704 F707 L708 I792 F793 Y794	L688-M796 HydrophobicContact CD1-CG 4.02Å; L688-M796 HydrophobicContact CD1-SD 4.17Å; L688-M796 HydrophobicContact CD2-CG 3.85Å; L688-M796 HydrophobicContact CD2-SD 3.99Å; L688-M796 HydrophobicContact CG-CG 4.47Å; M699-M796 HydrophobicContact CE-CG 4.49Å; M699-M796 HydrophobicContact SD-CB 4.35Å; V704-M796 HydrophobicContact CG1-CB 3.91Å; V704-M796 HydrophobicContact CG1-CE 4.44Å; V704-M796 HydrophobicContact CG2-CB 4.21Å; V704-M796 WeakPolarHBondContact CG2-O 3.45Å; F707-M796 HydrophobicContact CB-SD 3.71Å; L708-M796 HydrophobicContact CB-CE 4.01Å; L708-M796 HydrophobicContact CD1-CE 4.23Å; I792-M796 HydrophobicContact CG2-CE 4.33Å; I792-M796 HydrophobicContact CG2-CG 4.39Å; I792-M796 WeakPolarHBondContact O-CG 3.41Å; I792-M796 PolarHBondContact O-N 2.85Å; F793-M796 PolarHBondContact O-N 3.24Å; Y794-M796 PolarHBondContact O-N 2.91Å
797	A	95.2	Very high	95.6	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.033	13%	0.134	C	C	.	.	H	α-helix	trans	-76	-33.4	-179.1	0	0	0	0	0	113.7	F793 Y794 E795 T856 R858 L859	F793-A797 WeakPolarHBondContact O-CB 3.39Å; F793-A797 PolarHBondContact O-N 3.39Å; F793-A797 VanDerWaalsContact O-N 3.1Å; Y794-A797 PolarHBondContact O-N 3.41Å; Y794-A797 VanDerWaalsContact O-N 3.17Å; E795-A797 VanDerWaalsContact C-N 3.33Å; E795-A797 PolarHBondContact O-N 3.42Å; A797-T856 HydrophobicContact CB-CG2 4.43Å; A797-R858 PolarHBondContact O-NH1 3.27Å; A797-R858 VanDerWaalsContact O-NH1 3.17Å; A797-L859 HydrophobicContact CB-CD1 3.77Å; A797-L859 HydrophobicContact CB-CD2 3.84Å; A797-L859 HydrophobicContact CB-CG 3.8Å
798	T	93.8	Very high	95.3	Very high	29 Å²	29	26.4 Å²	26.4	18%	0.178	15%	0.149	C	C	.	.	H	α-helix	trans	-112.6	-23.6	-169.5	63.1	0	0	0	0	115.1	Y794 W800 T856	Y794-T798 HydrophobicContact CD1-CG2 4.29Å; Y794-T798 HydrophobicContact CD2-CG2 4.35Å; Y794-T798 HydrophobicContact CE1-CG2 3.93Å; Y794-T798 WeakPolarHBondContact CE1-OG1 3.2Å; Y794-T798 HydrophobicContact CE2-CG2 4.01Å; Y794-T798 HydrophobicContact CG-CG2 4.49Å; Y794-T798 WeakPolarHBondContact O-CG2 3.26Å; Y794-T798 PolarHBondContact O-N 2.83Å; Y794-T798 PolarHBondContact O-OG1 3.3Å; T798-W800 VanDerWaalsContact C-N 3.34Å; T798-W800 PolarHBondContact OG1-N 3.32Å; T798-W800 PolarHBondContact OG1-O 3.14Å; T798-T856 HydrophobicContact CG2-CG2 3.85Å
799	G	93.3	Very high	95	Very high	11 Å²	11	29.3 Å²	29.3	11%	0.113	16%	0.162	C	C	.	.	S	Bend	trans	84.7	-2.4	-169.4	0	0	0	0	0	115.1	G697 E795	G697-G799 PolarHBondContact O-N 3.2Å; E795-G799 VanDerWaalsContact O-CA 3.28Å; E795-G799 WeakPolarHBondContact O-CA 3.44Å; E795-G799 PolarHBondContact O-N 3.36Å
800	W	93.5	Very high	94.6	Very high	173 Å²	173	33 Å²	33	66%	0.655	18%	0.179	S	C	*	.	S	Bend	trans	-128.4	144	-172.4	-58	93.3	0	0	0	112.5	Y794 E795 T798	Y794-W800 WeakPolarHBondContact CD1-O 3.23Å; Y794-W800 WeakPolarHBondContact CE1-O 3.28Å; E795-W800 WeakPolarHBondContact CA-O 3.49Å; T798-W800 VanDerWaalsContact C-N 3.34Å; T798-W800 PolarHBondContact OG1-N 3.32Å; T798-W800 PolarHBondContact OG1-O 3.14Å
801	P	95.3	Very high	94.4	Very high	24 Å²	24	33 Å²	33	16%	0.156	18%	0.179	C	C	.	.			trans	-64.1	140.5	176.8	28.5	-36.7	0	0	0	111.4	W767 P804	W767-P801 HydrophobicContact CD2-CB 4.44Å; W767-P801 HydrophobicContact CE3-CB 3.61Å; W767-P801 HydrophobicContact CE3-CG 3.99Å; W767-P801 HydrophobicContact CH2-CG 4.31Å; W767-P801 HydrophobicContact CZ3-CB 3.84Å; W767-P801 HydrophobicContact CZ3-CG 3.71Å; P801-P804 HydrophobicContact CB-CB 4.38Å; P801-P804 HydrophobicContact CG-CB 3.94Å; P801-P804 HydrophobicContact CG-CG 4.5Å
802	L	96.5	Very high	94.2	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.047	18%	0.18	C	C	.	.	S	Bend	trans	-72	-42.6	-176.4	179.7	53.5	0	0	0	113.2	Y794 L852 L871	Y794-L802 HydrophobicContact CD1-CB 3.55Å; Y794-L802 HydrophobicContact CD1-CD1 3.93Å; Y794-L802 HydrophobicContact CD1-CG 4.2Å; Y794-L802 HydrophobicContact CD2-CD1 3.76Å; Y794-L802 HydrophobicContact CD2-CD2 4.43Å; Y794-L802 HydrophobicContact CD2-CG 4.49Å; Y794-L802 HydrophobicContact CE1-CB 4.07Å; Y794-L802 HydrophobicContact CE1-CD1 3.91Å; Y794-L802 HydrophobicContact CE2-CD1 3.73Å; Y794-L802 HydrophobicContact CG-CB 3.89Å; Y794-L802 HydrophobicContact CG-CD1 3.85Å; Y794-L802 HydrophobicContact CG-CD2 4.15Å; Y794-L802 HydrophobicContact CG-CG 4.16Å; L802-L852 HydrophobicContact CD1-CD1 4.32Å; L802-L852 HydrophobicContact CD1-CD2 4.09Å; L802-L852 HydrophobicContact CD2-CD1 4.02Å; L802-L871 HydrophobicContact CD2-CD1 3.58Å
803	F	96.6	Very high	94	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.			trans	-130.9	80	-176.4	-51.7	-59.1	0	0	0	110.2	W767 W787 G805 Q811 L814 I815 R818 L819 L871	W767-F803 WeakPolarHBondContact CA-O 3.32Å; W767-F803 VanDerWaalsContact CB-O 3.29Å; W767-F803 WeakPolarHBondContact CB-O 3.46Å; W787-F803 HydrophobicContact CH2-CE2 4.03Å; W787-F803 HydrophobicContact CH2-CZ 4.35Å; W787-F803 HydrophobicContact CZ2-CD2 4.02Å; W787-F803 AromaticContact CZ2-CE2 3.42Å; W787-F803 HydrophobicContact CZ2-CE2 3.42Å; W787-F803 VanDerWaalsContact CZ2-CE2 3.42Å; W787-F803 HydrophobicContact CZ2-CZ 4.14Å; F803-G805 VanDerWaalsContact C-N 3.28Å; F803-G805 PolarHBondContact O-N 3.39Å; F803-G805 VanDerWaalsContact O-N 3.08Å; F803-Q811 VanDerWaalsContact CB-NE2 3.26Å; F803-Q811 PolarHBondContact O-NE2 3.29Å; F803-Q811 PolarHBondContact O-OE1 3.46Å; F803-L814 HydrophobicContact CD1-CB 4.49Å; F803-I815 HydrophobicContact CB-CG1 4.24Å; F803-I815 HydrophobicContact CD1-CB 4.37Å; F803-I815 HydrophobicContact CD1-CG1 3.73Å; F803-I815 HydrophobicContact CD2-CG1 3.82Å; F803-I815 HydrophobicContact CE1-CB 4.26Å; F803-I815 HydrophobicContact CE1-CG1 3.95Å; F803-I815 HydrophobicContact CE2-CG1 4.03Å; F803-I815 HydrophobicContact CG-CG1 3.67Å; F803-I815 HydrophobicContact CZ-CG1 4.08Å; F803-R818 HydrophobicContact CE1-CB 3.99Å; F803-R818 HydrophobicContact CE1-CG 4.1Å; F803-L819 HydrophobicContact CZ-CD1 4.09Å; F803-L819 HydrophobicContact CZ-CG 4.26Å; F803-L871 HydrophobicContact CE2-CD2 4.47Å
804	P	94.9	Very high	93.8	Very high	59 Å²	59	35.8 Å²	35.8	38%	0.383	19%	0.194	S	C	.	.			trans	-84.7	48.6	-173.8	34.3	-37.3	0	0	0	114.3	W767 P801 L814	W767-P804 VanDerWaalsContact CD1-C 3.5Å; W767-P804 HydrophobicContact CD2-CB 4.23Å; W767-P804 HydrophobicContact CH2-CB 4.45Å; W767-P804 HydrophobicContact CZ2-CB 4.03Å; W767-P804 VanDerWaalsContact NE1-C 3.26Å; P801-P804 HydrophobicContact CB-CB 4.38Å; P801-P804 HydrophobicContact CG-CB 3.94Å; P801-P804 HydrophobicContact CG-CG 4.5Å; P804-L814 HydrophobicContact CG-CD1 4.5Å
805	G	93.2	Very high	93.7	Very high	2 Å²	2	34.9 Å²	34.9	2%	0.021	19%	0.191	C	C	.	.			trans	-73.7	143.4	-177.5	0	0	0	0	0	114.2	W767 F803 Q811	W767-G805 PolarHBondContact NE1-O 3Å; F803-G805 VanDerWaalsContact C-N 3.28Å; F803-G805 PolarHBondContact O-N 3.39Å; F803-G805 VanDerWaalsContact O-N 3.08Å; G805-Q811 VanDerWaalsContact CA-OE1 3.25Å
806	S	90.4	Very high	93.6	Very high	95 Å²	95	35 Å²	35	66%	0.664	19%	0.191	S	C	*	.	S	Bend	trans	-88.4	-37.1	174.4	65.5	0	0	0	0	112.9	E810	S806-E810 VanDerWaalsContact CB-OE2 3.32Å; S806-E810 WeakPolarHBondContact CB-OE2 3.38Å; S806-E810 PolarHBondContact N-OE2 3.37Å; S806-E810 PolarHBondContact OG-OE2 3.36Å
807	T	90.2	Very high	93.4	Very high	72 Å²	72	39 Å²	39	44%	0.442	21%	0.208	S	C	.	.	S	Bend	trans	-115.3	163.8	177.8	71.8	0	0	0	0	111.7	L766 E809 E810 Q811	L766-T807 WeakPolarHBondContact CD1-O 3.38Å; T807-E809 PolarHBondContact O-N 3.03Å; T807-E810 PolarHBondContact O-N 3.35Å; T807-E810 WeakPolarHBondContact OG1-CB 3.25Å; T807-E810 PolarHBondContact OG1-N 2.94Å; T807-Q811 WeakPolarHBondContact O-CB 2.95Å; T807-Q811 PolarHBondContact O-N 2.92Å
808	V	89.9	Confident	93.3	Very high	53 Å²	53	42.8 Å²	42.8	32%	0.321	22%	0.222	S	C	.	.	H	α-helix	trans	-59.6	-38.9	175.4	171.8	0	0	0	0	111.2	L766 L774 Q811 L812	L766-V808 HydrophobicContact CD1-CG2 4.15Å; L766-V808 HydrophobicContact CD2-CG2 4.46Å; L774-V808 HydrophobicContact CB-CG1 4.39Å; L774-V808 HydrophobicContact CD2-CB 4.3Å; L774-V808 HydrophobicContact CD2-CG1 3.91Å; L774-V808 HydrophobicContact CD2-CG2 4.07Å; V808-Q811 PolarHBondContact O-N 3.11Å; V808-L812 HydrophobicContact CG1-CD1 4.12Å; V808-L812 WeakPolarHBondContact O-CB 3.14Å; V808-L812 WeakPolarHBondContact O-CG 3.47Å; V808-L812 PolarHBondContact O-N 3.49Å
809	E	90.4	Very high	93.3	Very high	63 Å²	63	43.8 Å²	43.8	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-69.5	-41.4	179.5	-176.5	158.7	-127.5	0	0	112.2	T807 T813 K841 Y842	T807-E809 PolarHBondContact O-N 3.03Å; E809-T813 VanDerWaalsContact O-CB 3.31Å; E809-T813 WeakPolarHBondContact O-CB 3.46Å; E809-T813 PolarHBondContact O-N 2.78Å; E809-T813 PolarHBondContact O-OG1 3.36Å; E809-K841 WeakPolarHBondContact OE1-CD 3.48Å; E809-K841 WeakPolarHBondContact OE1-CE 3.23Å; E809-K841 IonicContact OE1-NZ 2.69Å; E809-K841 PolarHBondContact OE1-NZ 3.47Å; E809-K841 IonicContact OE2-NZ 2.82Å; E809-Y842 HydrophobicContact CG-CE2 3.68Å
810	E	91.1	Very high	93.4	Very high	78 Å²	78	43.6 Å²	43.6	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-67.3	-43.6	172.1	-174.6	-178.2	-156.5	0	0	111.6	S806 T807 L812 T813 L814	S806-E810 VanDerWaalsContact CB-OE2 3.32Å; S806-E810 WeakPolarHBondContact CB-OE2 3.38Å; S806-E810 PolarHBondContact N-OE2 3.37Å; S806-E810 PolarHBondContact OG-OE2 3.36Å; T807-E810 PolarHBondContact O-N 3.35Å; T807-E810 WeakPolarHBondContact OG1-CB 3.25Å; T807-E810 PolarHBondContact OG1-N 2.94Å; E810-L812 PolarHBondContact O-N 2.74Å; E810-T813 CarbonylContact O-C 3.58Å; E810-T813 WeakPolarHBondContact O-CB 3.01Å; E810-T813 PolarHBondContact O-N 2.93Å; E810-T813 VanDerWaalsContact O-N 3.14Å; E810-L814 HydrophobicContact CG-CD1 3.99Å; E810-L814 HydrophobicContact CG-CG 4.3Å; E810-L814 WeakPolarHBondContact O-CG 3.48Å; E810-L814 PolarHBondContact O-N 3.22Å
811	Q	93.9	Very high	93.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-47.9	179.6	-176.1	66.6	17.3	0	0	111.2	L766 W767 L774 F803 G805 T807 V808 L814 I815	L766-Q811 HydrophobicContact CB-CB 4.29Å; L766-Q811 HydrophobicContact CB-CG 4.05Å; L766-Q811 HydrophobicContact CD1-CB 4.43Å; L766-Q811 PolarHBondContact O-NE2 3.14Å; L766-Q811 VanDerWaalsContact O-NE2 3.13Å; W767-Q811 PolarHBondContact O-NE2 2.77Å; L774-Q811 HydrophobicContact CD1-CB 4.33Å; L774-Q811 HydrophobicContact CD1-CG 3.51Å; L774-Q811 HydrophobicContact CD2-CB 4.49Å; L774-Q811 HydrophobicContact CD2-CG 4.21Å; F803-Q811 VanDerWaalsContact CB-NE2 3.26Å; F803-Q811 PolarHBondContact O-NE2 3.29Å; F803-Q811 PolarHBondContact O-OE1 3.46Å; G805-Q811 VanDerWaalsContact CA-OE1 3.25Å; T807-Q811 WeakPolarHBondContact O-CB 2.95Å; T807-Q811 PolarHBondContact O-N 2.92Å; V808-Q811 PolarHBondContact O-N 3.11Å; Q811-L814 PolarHBondContact O-N 3.38Å; Q811-I815 HydrophobicContact CG-CD1 4.18Å; Q811-I815 WeakPolarHBondContact O-CD1 3.32Å; Q811-I815 VanDerWaalsContact O-CG1 3.25Å; Q811-I815 WeakPolarHBondContact O-CG1 3.49Å; Q811-I815 PolarHBondContact O-N 3.46Å
812	L	93.9	Very high	93.3	Very high	4 Å²	4	35 Å²	35	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-42.6	173.8	-73.4	169.4	0	0	0	111.8	P771 L774 L775 V808 E810 L814 I815 F816	P771-L812 HydrophobicContact CB-CD2 4.27Å; L774-L812 HydrophobicContact CB-CD1 4.26Å; L774-L812 HydrophobicContact CB-CD2 3.71Å; L774-L812 HydrophobicContact CB-CG 3.97Å; L774-L812 HydrophobicContact CD1-CD2 4.17Å; L774-L812 HydrophobicContact CD1-CG 4.42Å; L775-L812 HydrophobicContact CD2-CD1 3.66Å; L775-L812 HydrophobicContact CD2-CD2 4.24Å; L775-L812 HydrophobicContact CG-CD1 4.26Å; L775-L812 HydrophobicContact CG-CD2 4.02Å; V808-L812 HydrophobicContact CG1-CD1 4.12Å; V808-L812 WeakPolarHBondContact O-CB 3.14Å; V808-L812 WeakPolarHBondContact O-CG 3.47Å; V808-L812 PolarHBondContact O-N 3.49Å; E810-L812 PolarHBondContact O-N 2.74Å; L812-L814 VanDerWaalsContact C-N 3.34Å; L812-L814 PolarHBondContact O-N 3.34Å; L812-I815 PolarHBondContact O-N 3.43Å; L812-F816 HydrophobicContact CB-CE2 4.09Å; L812-F816 HydrophobicContact CB-CZ 4.38Å; L812-F816 HydrophobicContact CD2-CE1 4.43Å; L812-F816 HydrophobicContact CD2-CE2 4.44Å; L812-F816 HydrophobicContact CD2-CZ 3.91Å; L812-F816 WeakPolarHBondContact O-CD2 3.37Å; L812-F816 VanDerWaalsContact O-CG 3.25Å; L812-F816 WeakPolarHBondContact O-CG 3.23Å; L812-F816 PolarHBondContact O-N 3.47Å
813	T	92.8	Very high	93	Very high	13 Å²	13	38.2 Å²	38.2	8%	0.08	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-40.7	176.9	-62.3	0	0	0	0	112.2	E809 E810 K817 Y845	E809-T813 VanDerWaalsContact O-CB 3.31Å; E809-T813 WeakPolarHBondContact O-CB 3.46Å; E809-T813 PolarHBondContact O-N 2.78Å; E809-T813 PolarHBondContact O-OG1 3.36Å; E810-T813 CarbonylContact O-C 3.58Å; E810-T813 WeakPolarHBondContact O-CB 3.01Å; E810-T813 PolarHBondContact O-N 2.93Å; E810-T813 VanDerWaalsContact O-N 3.14Å; T813-K817 HydrophobicContact CG2-CD 4.03Å; T813-K817 VanDerWaalsContact O-CB 3.29Å; T813-K817 WeakPolarHBondContact O-CB 3.3Å; T813-K817 VanDerWaalsContact O-CG 3.22Å; T813-K817 WeakPolarHBondContact O-CG 3.39Å; T813-K817 PolarHBondContact O-N 2.86Å; T813-Y845 HydrophobicContact CG2-CE2 4.32Å
814	L	94.2	Very high	92.8	Very high	42 Å²	42	42.2 Å²	42.2	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-67.8	-40.3	175.7	-71.8	168.7	0	0	0	112	F803 P804 E810 Q811 L812 R818	F803-L814 HydrophobicContact CD1-CB 4.49Å; P804-L814 HydrophobicContact CG-CD1 4.5Å; E810-L814 HydrophobicContact CG-CD1 3.99Å; E810-L814 HydrophobicContact CG-CG 4.3Å; E810-L814 WeakPolarHBondContact O-CG 3.48Å; E810-L814 PolarHBondContact O-N 3.22Å; Q811-L814 PolarHBondContact O-N 3.38Å; L812-L814 VanDerWaalsContact C-N 3.34Å; L812-L814 PolarHBondContact O-N 3.34Å; L814-R818 WeakPolarHBondContact O-CG 3.31Å; L814-R818 PolarHBondContact O-N 3.25Å
815	I	95.3	Very high	92.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.5	-51.1	175.2	-68.2	165.2	0	0	0	110.4	P771 L774 W787 F803 Q811 L812 R818 L819 F873	P771-I815 HydrophobicContact CB-CD1 4.4Å; P771-I815 HydrophobicContact CB-CG2 4.45Å; L774-I815 HydrophobicContact CD1-CD1 3.85Å; W787-I815 HydrophobicContact CH2-CG2 3.88Å; W787-I815 HydrophobicContact CZ2-CD1 3.88Å; W787-I815 HydrophobicContact CZ2-CG1 4.05Å; W787-I815 HydrophobicContact CZ2-CG2 4.16Å; F803-I815 HydrophobicContact CB-CG1 4.24Å; F803-I815 HydrophobicContact CD1-CB 4.37Å; F803-I815 HydrophobicContact CD1-CG1 3.73Å; F803-I815 HydrophobicContact CD2-CG1 3.82Å; F803-I815 HydrophobicContact CE1-CB 4.26Å; F803-I815 HydrophobicContact CE1-CG1 3.95Å; F803-I815 HydrophobicContact CE2-CG1 4.03Å; F803-I815 HydrophobicContact CG-CG1 3.67Å; F803-I815 HydrophobicContact CZ-CG1 4.08Å; Q811-I815 HydrophobicContact CG-CD1 4.18Å; Q811-I815 WeakPolarHBondContact O-CD1 3.32Å; Q811-I815 VanDerWaalsContact O-CG1 3.25Å; Q811-I815 WeakPolarHBondContact O-CG1 3.49Å; Q811-I815 PolarHBondContact O-N 3.46Å; L812-I815 PolarHBondContact O-N 3.43Å; I815-R818 PolarHBondContact O-N 2.86Å; I815-L819 HydrophobicContact CG2-CD1 4.21Å; I815-L819 PolarHBondContact O-N 3.47Å; I815-F873 HydrophobicContact CG2-CE1 3.81Å; I815-F873 HydrophobicContact CG2-CZ 4.33Å
816	F	94.4	Very high	92.4	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.013	27%	0.268	C	S	.	.	H	α-helix	trans	-69.4	-35.6	-177.8	-57.9	-26.1	0	0	0	112.9	L775 L812 R818 G820 P822 Y845 F873	L775-F816 HydrophobicContact CD1-CZ 4.39Å; L812-F816 HydrophobicContact CB-CE2 4.09Å; L812-F816 HydrophobicContact CB-CZ 4.38Å; L812-F816 HydrophobicContact CD2-CE1 4.43Å; L812-F816 HydrophobicContact CD2-CE2 4.44Å; L812-F816 HydrophobicContact CD2-CZ 3.91Å; L812-F816 WeakPolarHBondContact O-CD2 3.37Å; L812-F816 VanDerWaalsContact O-CG 3.25Å; L812-F816 WeakPolarHBondContact O-CG 3.23Å; L812-F816 PolarHBondContact O-N 3.47Å; F816-R818 PolarHBondContact O-N 2.67Å; F816-G820 WeakPolarHBondContact CA-O 3.37Å; F816-G820 CarbonylContact O-C 3.26Å; F816-G820 VanDerWaalsContact O-C 3.26Å; F816-G820 WeakPolarHBondContact O-CA 3.43Å; F816-G820 PolarHBondContact O-N 2.77Å; F816-P822 HydrophobicContact CD1-CG 4.32Å; F816-P822 HydrophobicContact CE1-CG 3.71Å; F816-P822 HydrophobicContact CZ-CG 4.08Å; F816-Y845 HydrophobicContact CB-CD2 3.84Å; F816-Y845 VanDerWaalsContact O-CB 3.22Å; F816-Y845 WeakPolarHBondContact O-CB 3.29Å; F816-F873 AromaticContact CD1-CE1 3.89Å; F816-F873 HydrophobicContact CD1-CE1 3.89Å; F816-F873 HydrophobicContact CD1-CZ 4.04Å; F816-F873 AromaticContact CE1-CE1 3.77Å; F816-F873 HydrophobicContact CE1-CE1 3.77Å; F816-F873 HydrophobicContact CE1-CZ 4.33Å
817	K	92.7	Very high	92.5	Very high	85 Å²	85	49.5 Å²	49.5	37%	0.37	24%	0.239	S	C	.	.	H	α-helix	trans	-55.1	-38.6	171	-83.2	172.5	-179.9	177.8	0	112.3	T813 Y845	T813-K817 HydrophobicContact CG2-CD 4.03Å; T813-K817 VanDerWaalsContact O-CB 3.29Å; T813-K817 WeakPolarHBondContact O-CB 3.3Å; T813-K817 VanDerWaalsContact O-CG 3.22Å; T813-K817 WeakPolarHBondContact O-CG 3.39Å; T813-K817 PolarHBondContact O-N 2.86Å; K817-Y845 HydrophobicContact CB-CD1 4.37Å; K817-Y845 HydrophobicContact CD-CE1 4.08Å; K817-Y845 WeakPolarHBondContact CE-OH 3.33Å; K817-Y845 HydrophobicContact CG-CD1 3.51Å; K817-Y845 HydrophobicContact CG-CD2 4.28Å; K817-Y845 HydrophobicContact CG-CE1 3.32Å; K817-Y845 HydrophobicContact CG-CE2 4.14Å; K817-Y845 HydrophobicContact CG-CG 3.99Å
818	R	93.3	Very high	92.6	Very high	84 Å²	84	50.4 Å²	50.4	32%	0.317	25%	0.246	S	C	.	.	H	α-helix	trans	-88	-42.5	-177.5	-62.8	-61.2	-163.8	-175.3	3.3	114.4	F803 L814 I815 F816 E848 L852	F803-R818 HydrophobicContact CE1-CB 3.99Å; F803-R818 HydrophobicContact CE1-CG 4.1Å; L814-R818 WeakPolarHBondContact O-CG 3.31Å; L814-R818 PolarHBondContact O-N 3.25Å; I815-R818 PolarHBondContact O-N 2.86Å; F816-R818 PolarHBondContact O-N 2.67Å; R818-E848 HydrophobicContact CB-CG 4.49Å; R818-E848 WeakPolarHBondContact CD-OE1 3.45Å; R818-E848 IonicContact CZ-OE1 2.65Å; R818-E848 IonicContact NE-OE1 3.12Å; R818-E848 IonicContact NH1-OE1 2.67Å; R818-E848 PolarHBondContact NH1-OE1 2.86Å; R818-E848 PolarHBondContact O-N 3.48Å; R818-L852 HydrophobicContact CB-CD2 4.18Å
819	L	94.6	Very high	92.6	Very high	50 Å²	50	49.2 Å²	49.2	26%	0.262	25%	0.245	S	C	.	.	H	α-helix	trans	-102.4	-6.7	-172.6	-58.2	-175.5	0	0	0	114.1	W787 F803 I815 L852 L871 F873	W787-L819 HydrophobicContact CH2-CD1 3.66Å; W787-L819 HydrophobicContact CZ3-CD1 4.11Å; F803-L819 HydrophobicContact CZ-CD1 4.09Å; F803-L819 HydrophobicContact CZ-CG 4.26Å; I815-L819 HydrophobicContact CG2-CD1 4.21Å; I815-L819 PolarHBondContact O-N 3.47Å; L819-L852 HydrophobicContact CD2-CD1 4.18Å; L819-L852 HydrophobicContact CD2-CD2 4.3Å; L819-L852 HydrophobicContact CD2-CG 4.21Å; L819-L871 HydrophobicContact CD1-CB 4.34Å; L819-F873 HydrophobicContact CB-CE2 4.02Å; L819-F873 HydrophobicContact CB-CZ 3.73Å; L819-F873 HydrophobicContact CD1-CZ 4.36Å
820	G	93.7	Very high	92.6	Very high	7 Å²	7	46.2 Å²	46.2	7%	0.072	23%	0.231	C	C	.	.			trans	92.3	153.3	-170.7	0	0	0	0	0	112.1	F816 Y845 F873	F816-G820 WeakPolarHBondContact CA-O 3.37Å; F816-G820 CarbonylContact O-C 3.26Å; F816-G820 VanDerWaalsContact O-C 3.26Å; F816-G820 WeakPolarHBondContact O-CA 3.43Å; F816-G820 PolarHBondContact O-N 2.77Å; G820-Y845 CarbonylContact C-O 3.58Å; G820-Y845 WeakPolarHBondContact CA-O 3.2Å; G820-F873 VanDerWaalsContact O-CZ 3.24Å; G820-F873 WeakPolarHBondContact O-CZ 3.41Å
821	T	93.8	Very high	92.5	Very high	16 Å²	16	47 Å²	47	10%	0.098	24%	0.241	C	C	.	.			trans	-72.2	125.1	168.8	-63	0	0	0	0	108.5	L840 Y845	T821-L840 HydrophobicContact CG2-CD2 3.56Å; T821-Y845 PolarHBondContact N-O 3.5Å; T821-Y845 PolarHBondContact OG1-N 3.19Å
822	P	93.1	Very high	92.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.273	C	S	.	.			trans	-64.2	158.6	176.7	28	-35.1	0	0	0	111	F816 S826 W827 V830 Y836 F873	F816-P822 HydrophobicContact CD1-CG 4.32Å; F816-P822 HydrophobicContact CE1-CG 3.71Å; F816-P822 HydrophobicContact CZ-CG 4.08Å; P822-S826 WeakPolarHBondContact CA-OG 3.44Å; P822-W827 HydrophobicContact CB-CB 4.15Å; P822-W827 HydrophobicContact CB-CE3 3.8Å; P822-W827 HydrophobicContact CG-CE3 3.95Å; P822-W827 HydrophobicContact CG-CZ3 4.31Å; P822-V830 HydrophobicContact CB-CG2 4.17Å; P822-V830 HydrophobicContact CG-CG2 3.96Å; P822-Y836 HydrophobicContact CG-CE2 4.17Å; P822-Y836 PolarHBondContact O-OH 2.94Å; P822-F873 HydrophobicContact CB-CD2 4.26Å; P822-F873 HydrophobicContact CB-CE2 4.4Å; P822-F873 HydrophobicContact CB-CG 4.34Å; P822-F873 HydrophobicContact CG-CD1 4.46Å; P822-F873 HydrophobicContact CG-CE1 4.37Å
823	N	90.8	Very high	91.7	Very high	76 Å²	76	52.8 Å²	52.8	41%	0.406	28%	0.279	S	S	.	.			trans	-151.7	171.6	176.2	57.4	72.1	0	0	0	108.7	R825 S826 W827	N823-R825 PolarHBondContact O-N 2.79Å; N823-R825 VanDerWaalsContact OD1-CB 3.25Å; N823-R825 WeakPolarHBondContact OD1-CB 3.45Å; N823-R825 PolarHBondContact OD1-N 3.48Å; N823-S826 PolarHBondContact N-OG 3.39Å; N823-S826 PolarHBondContact O-N 3.17Å; N823-S826 PolarHBondContact O-OG 3.11Å; N823-S826 PolarHBondContact OD1-N 3.28Å; N823-W827 CarbonylContact O-C 3.59Å; N823-W827 PolarHBondContact O-N 3.3Å
824	E	91.8	Very high	91.1	Very high	83 Å²	83	56.4 Å²	56.4	39%	0.388	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-16.7	-176.5	-65.1	-57.6	139.3	0	0	115.3	G829 V830 T831	E824-G829 PolarHBondContact OE2-N 3.12Å; E824-V830 PolarHBondContact OE1-N 3.46Å; E824-T831 HydrophobicContact CG-CG2 4.2Å; E824-T831 VanDerWaalsContact OE1-CB 3.25Å; E824-T831 WeakPolarHBondContact OE1-CB 3.36Å; E824-T831 VanDerWaalsContact OE1-CG2 3.24Å; E824-T831 WeakPolarHBondContact OE1-CG2 3.43Å; E824-T831 PolarHBondContact OE1-N 2.79Å; E824-T831 PolarHBondContact OE1-OG1 2.86Å
825	R	91	Very high	90.5	Very high	238 Å²	238	57 Å²	57	90%	0.898	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-34.3	174.1	-158.9	-175.4	-163.7	-178.2	7.4	113.7	N823	N823-R825 PolarHBondContact O-N 2.79Å; N823-R825 VanDerWaalsContact OD1-CB 3.25Å; N823-R825 WeakPolarHBondContact OD1-CB 3.45Å; N823-R825 PolarHBondContact OD1-N 3.48Å
826	S	90	Very high	90	Very high	56 Å²	56	57.9 Å²	57.9	39%	0.392	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-20.2	178.5	56.1	0	0	0	0	113.5	P822 N823	P822-S826 WeakPolarHBondContact CA-OG 3.44Å; N823-S826 PolarHBondContact N-OG 3.39Å; N823-S826 PolarHBondContact O-N 3.17Å; N823-S826 PolarHBondContact O-OG 3.11Å; N823-S826 PolarHBondContact OD1-N 3.28Å
827	W	92.4	Very high	89.3	Confident	16 Å²	16	61.8 Å²	61.8	6%	0.061	34%	0.337	C	S	.	.	S	Bend	trans	-152.1	92.1	173.6	-178.5	-6.6	0	0	0	108.6	D772 L775 P822 N823 G829 V830 H833 F873 P874	D772-W827 HydrophobicContact CB-CH2 3.9Å; D772-W827 HydrophobicContact CB-CZ2 3.91Å; L775-W827 HydrophobicContact CD1-CH2 3.79Å; L775-W827 HydrophobicContact CD1-CZ3 3.84Å; P822-W827 HydrophobicContact CB-CB 4.15Å; P822-W827 HydrophobicContact CB-CE3 3.8Å; P822-W827 HydrophobicContact CG-CE3 3.95Å; P822-W827 HydrophobicContact CG-CZ3 4.31Å; N823-W827 CarbonylContact O-C 3.59Å; N823-W827 PolarHBondContact O-N 3.3Å; W827-G829 PolarHBondContact O-N 3.48Å; W827-V830 HydrophobicContact CB-CB 4.05Å; W827-V830 HydrophobicContact CD2-CB 3.88Å; W827-V830 HydrophobicContact CD2-CG2 3.75Å; W827-V830 HydrophobicContact CE3-CB 4.2Å; W827-V830 HydrophobicContact CE3-CG2 3.57Å; W827-V830 HydrophobicContact CG-CB 3.82Å; W827-V830 HydrophobicContact CG-CG2 4.21Å; W827-V830 HydrophobicContact CH2-CG2 4.46Å; W827-V830 HydrophobicContact CZ3-CG2 3.96Å; W827-V830 WeakPolarHBondContact O-CB 3.46Å; W827-V830 WeakPolarHBondContact O-CG1 3.42Å; W827-V830 PolarHBondContact O-N 2.87Å; W827-H833 AromaticContact CZ2-CD2 3.94Å; W827-H833 AromaticContact CZ2-NE2 3.46Å; W827-H833 WeakPolarHBondContact CZ2-NE2 3.35Å; W827-F873 HydrophobicContact CD2-CB 4.18Å; W827-F873 HydrophobicContact CE3-CB 3.64Å; W827-F873 HydrophobicContact CE3-CD1 4.15Å; W827-F873 HydrophobicContact CE3-CG 4.11Å; W827-F873 HydrophobicContact CZ3-CB 4.2Å; W827-F873 HydrophobicContact CZ3-CD1 4.13Å; W827-P874 HydrophobicContact CB-CG 4.22Å; W827-P874 HydrophobicContact CD2-CG 4.36Å; W827-P874 HydrophobicContact CG-CG 3.82Å
828	P	91.4	Very high	88.7	Confident	90 Å²	90	63 Å²	63	58%	0.584	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	133.8	173.5	-24.3	34.5	0	0	0	111.4
829	G	89.7	Confident	88.1	Confident	29 Å²	29	59.3 Å²	59.3	30%	0.299	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-0.2	-176	0	0	0	0	0	115.2	E824 W827 T831 S832	E824-G829 PolarHBondContact OE2-N 3.12Å; W827-G829 PolarHBondContact O-N 3.48Å; G829-T831 VanDerWaalsContact C-N 3.25Å; G829-T831 PolarHBondContact O-N 3.42Å; G829-S832 WeakPolarHBondContact O-CB 3.48Å; G829-S832 PolarHBondContact O-N 2.84Å; G829-S832 PolarHBondContact O-OG 3.45Å
830	V	90.3	Very high	87.3	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-60.2	-32.5	-175.7	71.4	0	0	0	0	113.3	L775 P822 E824 W827 S832 H833 Y836	L775-V830 HydrophobicContact CD1-CG2 4.5Å; P822-V830 HydrophobicContact CB-CG2 4.17Å; P822-V830 HydrophobicContact CG-CG2 3.96Å; E824-V830 PolarHBondContact OE1-N 3.46Å; W827-V830 HydrophobicContact CB-CB 4.05Å; W827-V830 HydrophobicContact CD2-CB 3.88Å; W827-V830 HydrophobicContact CD2-CG2 3.75Å; W827-V830 HydrophobicContact CE3-CB 4.2Å; W827-V830 HydrophobicContact CE3-CG2 3.57Å; W827-V830 HydrophobicContact CG-CB 3.82Å; W827-V830 HydrophobicContact CG-CG2 4.21Å; W827-V830 HydrophobicContact CH2-CG2 4.46Å; W827-V830 HydrophobicContact CZ3-CG2 3.96Å; W827-V830 WeakPolarHBondContact O-CB 3.46Å; W827-V830 WeakPolarHBondContact O-CG1 3.42Å; W827-V830 PolarHBondContact O-N 2.87Å; V830-S832 PolarHBondContact O-N 3.17Å; V830-H833 PolarHBondContact O-N 3.03Å; V830-Y836 HydrophobicContact CG1-CE1 4.35Å; V830-Y836 HydrophobicContact CG1-CE2 4.47Å; V830-Y836 HydrophobicContact CG2-CD2 3.71Å; V830-Y836 HydrophobicContact CG2-CE2 3.82Å; V830-Y836 HydrophobicContact CG2-CG 4.1Å; V830-Y836 WeakPolarHBondContact O-CB 3.48Å; V830-Y836 WeakPolarHBondContact O-CD1 3.25Å
831	T	89.3	Confident	86.5	Confident	95 Å²	95	66.2 Å²	66.2	58%	0.583	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-64.4	-19.6	174.5	52.8	0	0	0	0	114	E824 G829 H833 Y836	E824-T831 HydrophobicContact CG-CG2 4.2Å; E824-T831 VanDerWaalsContact OE1-CB 3.25Å; E824-T831 WeakPolarHBondContact OE1-CB 3.36Å; E824-T831 VanDerWaalsContact OE1-CG2 3.24Å; E824-T831 WeakPolarHBondContact OE1-CG2 3.43Å; E824-T831 PolarHBondContact OE1-N 2.79Å; E824-T831 PolarHBondContact OE1-OG1 2.86Å; G829-T831 VanDerWaalsContact C-N 3.25Å; G829-T831 PolarHBondContact O-N 3.42Å; T831-H833 VanDerWaalsContact C-N 3.34Å; T831-Y836 HydrophobicContact CG2-CD1 4.45Å; T831-Y836 HydrophobicContact CG2-CE1 3.95Å
832	S	87.2	Confident	85.4	Confident	94 Å²	94	71.2 Å²	71.2	66%	0.657	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-79.9	-12.3	177.4	74.8	0	0	0	0	114.1	G829 V830	G829-S832 WeakPolarHBondContact O-CB 3.48Å; G829-S832 PolarHBondContact O-N 2.84Å; G829-S832 PolarHBondContact O-OG 3.45Å; V830-S832 PolarHBondContact O-N 3.17Å
833	H	83.7	Confident	84.4	Confident	31 Å²	31	72.5 Å²	72.5	14%	0.144	39%	0.389	C	S	.	.	S	Bend	trans	-70.5	129.3	-177.2	-87.6	-91.1	0	0	0	112.2	L775 W827 V830 T831 D835 Y836	L775-H833 HydrophobicContact CB-CB 4.03Å; L775-H833 PolarHBondContact O-ND1 3.02Å; W827-H833 AromaticContact CZ2-CD2 3.94Å; W827-H833 AromaticContact CZ2-NE2 3.46Å; W827-H833 WeakPolarHBondContact CZ2-NE2 3.35Å; V830-H833 PolarHBondContact O-N 3.03Å; T831-H833 VanDerWaalsContact C-N 3.34Å; H833-D835 PolarHBondContact O-N 3.34Å; H833-Y836 PolarHBondContact O-N 2.87Å
834	P	80.9	Confident	84.2	Confident	89 Å²	89	74.4 Å²	74.4	58%	0.578	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.4	-170.7	-30.3	35.5	0	0	0	116.4
835	D	81.1	Confident	84.1	Confident	54 Å²	54	73 Å²	73	29%	0.289	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-1.3	-176.9	-65.7	-62.5	0	0	0	113.8	L775 H833 S837 K838 S839	L775-D835 HydrophobicContact CD2-CB 4.34Å; H833-D835 PolarHBondContact O-N 3.34Å; D835-S837 PolarHBondContact O-N 3.11Å; D835-K838 WeakPolarHBondContact O-CB 3.35Å; D835-K838 PolarHBondContact O-N 3.32Å; D835-K838 VanDerWaalsContact O-N 3.14Å; D835-K838 WeakPolarHBondContact OD1-CD 3.46Å; D835-K838 VanDerWaalsContact OD1-CE 3.32Å; D835-K838 WeakPolarHBondContact OD1-CE 3.43Å; D835-K838 IonicContact OD1-NZ 3.91Å; D835-K838 PolarHBondContact OD1-NZ 3.14Å; D835-S839 PolarHBondContact O-N 3.46Å
836	Y	85.8	Confident	84	Confident	18 Å²	18	68 Å²	68	7%	0.071	40%	0.395	C	S	.	.	H	α-helix	trans	-64.3	-43.9	-177.1	172	-106.9	0	0	0	112	L775 P822 V830 T831 H833 K838 S839 L840	L775-Y836 HydrophobicContact CD1-CD2 4.22Å; P822-Y836 HydrophobicContact CG-CE2 4.17Å; P822-Y836 PolarHBondContact O-OH 2.94Å; V830-Y836 HydrophobicContact CG1-CE1 4.35Å; V830-Y836 HydrophobicContact CG1-CE2 4.47Å; V830-Y836 HydrophobicContact CG2-CD2 3.71Å; V830-Y836 HydrophobicContact CG2-CE2 3.82Å; V830-Y836 HydrophobicContact CG2-CG 4.1Å; V830-Y836 WeakPolarHBondContact O-CB 3.48Å; V830-Y836 WeakPolarHBondContact O-CD1 3.25Å; T831-Y836 HydrophobicContact CG2-CD1 4.45Å; T831-Y836 HydrophobicContact CG2-CE1 3.95Å; H833-Y836 PolarHBondContact O-N 2.87Å; Y836-K838 PolarHBondContact O-N 3.02Å; Y836-S839 PolarHBondContact O-N 3.41Å; Y836-S839 PolarHBondContact O-OG 2.94Å; Y836-L840 HydrophobicContact CD1-CD1 4.32Å; Y836-L840 HydrophobicContact CE1-CD1 3.71Å; Y836-L840 HydrophobicContact CE1-CG 4.27Å; Y836-L840 HydrophobicContact CE2-CD2 4.09Å; Y836-L840 HydrophobicContact CE2-CG 4.27Å; Y836-L840 PolarHBondContact O-N 2.76Å
837	S	79.7	Confident	83.9	Confident	85 Å²	85	65.9 Å²	65.9	59%	0.594	38%	0.382	S	S	*	.	H	α-helix	trans	-57.2	-34.2	174.2	58.2	0	0	0	0	113.1	D835	D835-S837 PolarHBondContact O-N 3.11Å
838	K	80	Confident	83.7	Confident	110 Å²	110	67.4 Å²	67.4	48%	0.478	39%	0.39	S	S	.	.	H	α-helix	trans	-72.8	-37.5	176.2	-53.2	175.7	-164.6	164.8	0	111.3	D835 Y836 L840 K841	D835-K838 WeakPolarHBondContact O-CB 3.35Å; D835-K838 PolarHBondContact O-N 3.32Å; D835-K838 VanDerWaalsContact O-N 3.14Å; D835-K838 WeakPolarHBondContact OD1-CD 3.46Å; D835-K838 VanDerWaalsContact OD1-CE 3.32Å; D835-K838 WeakPolarHBondContact OD1-CE 3.43Å; D835-K838 IonicContact OD1-NZ 3.91Å; D835-K838 PolarHBondContact OD1-NZ 3.14Å; Y836-K838 PolarHBondContact O-N 3.02Å; K838-L840 PolarHBondContact O-N 3.32Å; K838-K841 WeakPolarHBondContact O-CD 3.31Å; K838-K841 VanDerWaalsContact O-CG 3.24Å; K838-K841 WeakPolarHBondContact O-CG 3.43Å; K838-K841 PolarHBondContact O-N 3.09Å
839	S	79	Confident	83.2	Confident	8 Å²	8	68.3 Å²	68.3	6%	0.056	40%	0.396	C	S	.	.	H	α-helix	trans	-66.6	-22.2	178.7	77.4	0	0	0	0	113.9	D835 Y836 K841	D835-S839 PolarHBondContact O-N 3.46Å; Y836-S839 PolarHBondContact O-N 3.41Å; Y836-S839 PolarHBondContact O-OG 2.94Å; S839-K841 VanDerWaalsContact C-N 3.29Å; S839-K841 PolarHBondContact O-N 3.38Å
840	L	78.4	Confident	82.5	Confident	63 Å²	63	70.1 Å²	70.1	33%	0.33	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-74.8	-6.9	179.4	-70.7	178.2	0	0	0	115.2	T821 Y836 K838 Y842 G843	T821-L840 HydrophobicContact CG2-CD2 3.56Å; Y836-L840 HydrophobicContact CD1-CD1 4.32Å; Y836-L840 HydrophobicContact CE1-CD1 3.71Å; Y836-L840 HydrophobicContact CE1-CG 4.27Å; Y836-L840 HydrophobicContact CE2-CD2 4.09Å; Y836-L840 HydrophobicContact CE2-CG 4.27Å; Y836-L840 PolarHBondContact O-N 2.76Å; K838-L840 PolarHBondContact O-N 3.32Å; L840-Y842 PolarHBondContact O-N 3Å; L840-G843 PolarHBondContact O-N 3.19Å
841	K	77.8	Confident	82.3	Confident	138 Å²	138	71.5 Å²	71.5	60%	0.6	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-50	-32.7	179.8	-74.1	170.8	-162.4	166.3	0	114.1	E809 K838 S839	E809-K841 WeakPolarHBondContact OE1-CD 3.48Å; E809-K841 WeakPolarHBondContact OE1-CE 3.23Å; E809-K841 IonicContact OE1-NZ 2.69Å; E809-K841 PolarHBondContact OE1-NZ 3.47Å; E809-K841 IonicContact OE2-NZ 2.82Å; K838-K841 WeakPolarHBondContact O-CD 3.31Å; K838-K841 VanDerWaalsContact O-CG 3.24Å; K838-K841 WeakPolarHBondContact O-CG 3.43Å; K838-K841 PolarHBondContact O-N 3.09Å; S839-K841 VanDerWaalsContact C-N 3.29Å; S839-K841 PolarHBondContact O-N 3.38Å
842	Y	69.3	Low	82.3	Confident	122 Å²	122	67.8 Å²	67.8	48%	0.478	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-94.8	12.2	-176.3	-54.3	-78.1	0	0	0	113.8	E809 L840 Y845	E809-Y842 HydrophobicContact CG-CE2 3.68Å; L840-Y842 PolarHBondContact O-N 3Å; Y842-Y845 WeakPolarHBondContact CB-OH 3.24Å; Y842-Y845 PolarHBondContact O-OH 3.06Å
843	G	73.8	Confident	82.4	Confident	27 Å²	27	65.8 Å²	65.8	28%	0.278	39%	0.392	S	S	.	.			trans	86.8	167	174.1	0	0	0	0	0	115.2	L840 Y845	L840-G843 PolarHBondContact O-N 3.19Å; G843-Y845 WeakPolarHBondContact O-CD2 3.36Å; G843-Y845 PolarHBondContact O-N 3.32Å
844	P	85.2	Confident	82.7	Confident	117 Å²	117	69 Å²	69	76%	0.76	41%	0.406	S	S	*	.			trans	-76.8	119.9	174.5	30.8	-32.8	0	0	0	110.8
845	Y	90.2	Very high	83.1	Confident	53 Å²	53	66.6 Å²	66.6	21%	0.208	39%	0.388	C	S	.	.			trans	-88.9	137	174.8	-65	-77.5	0	0	0	110.7	T813 F816 K817 G820 T821 Y842 G843 G847	T813-Y845 HydrophobicContact CG2-CE2 4.32Å; F816-Y845 HydrophobicContact CB-CD2 3.84Å; F816-Y845 VanDerWaalsContact O-CB 3.22Å; F816-Y845 WeakPolarHBondContact O-CB 3.29Å; K817-Y845 HydrophobicContact CB-CD1 4.37Å; K817-Y845 HydrophobicContact CD-CE1 4.08Å; K817-Y845 WeakPolarHBondContact CE-OH 3.33Å; K817-Y845 HydrophobicContact CG-CD1 3.51Å; K817-Y845 HydrophobicContact CG-CD2 4.28Å; K817-Y845 HydrophobicContact CG-CE1 3.32Å; K817-Y845 HydrophobicContact CG-CE2 4.14Å; K817-Y845 HydrophobicContact CG-CG 3.99Å; G820-Y845 CarbonylContact C-O 3.58Å; G820-Y845 WeakPolarHBondContact CA-O 3.2Å; T821-Y845 PolarHBondContact N-O 3.5Å; T821-Y845 PolarHBondContact OG1-N 3.19Å; Y842-Y845 WeakPolarHBondContact CB-OH 3.24Å; Y842-Y845 PolarHBondContact O-OH 3.06Å; G843-Y845 WeakPolarHBondContact O-CD2 3.36Å; G843-Y845 PolarHBondContact O-N 3.32Å; Y845-G847 VanDerWaalsContact C-N 3.26Å; Y845-G847 PolarHBondContact O-N 3.41Å
846	P	88.5	Confident	83.6	Confident	132 Å²	132	64.1 Å²	64.1	86%	0.857	38%	0.375	S	S	*	.			trans	-76.3	-13.6	175	32	-35.7	0	0	0	113.3
847	G	88.7	Confident	83.8	Confident	12 Å²	12	67.8 Å²	67.8	12%	0.124	40%	0.402	C	S	.	.			trans	81.4	177.7	-169.2	0	0	0	0	0	112.7	Y845	Y845-G847 VanDerWaalsContact C-N 3.26Å; Y845-G847 PolarHBondContact O-N 3.41Å
848	E	87.7	Confident	84.2	Confident	48 Å²	48	68.6 Å²	68.6	22%	0.224	39%	0.391	C	S	.	.			trans	-69.2	133.1	178.7	-72.5	-57.2	167.3	0	0	112.5	R818 G850 G851 H854 L855	R818-E848 HydrophobicContact CB-CG 4.49Å; R818-E848 WeakPolarHBondContact CD-OE1 3.45Å; R818-E848 IonicContact CZ-OE1 2.65Å; R818-E848 IonicContact NE-OE1 3.12Å; R818-E848 IonicContact NH1-OE1 2.67Å; R818-E848 PolarHBondContact NH1-OE1 2.86Å; R818-E848 PolarHBondContact O-N 3.48Å; E848-G850 PolarHBondContact O-N 3.5Å; E848-G850 VanDerWaalsContact O-N 3.15Å; E848-G851 WeakPolarHBondContact O-CA 3.25Å; E848-G851 PolarHBondContact O-N 3.06Å; E848-H854 IonicContact OE2-CE1 3.36Å; E848-H854 PolarHBondContact OE2-CE1 2.79Å; E848-H854 IonicContact OE2-NE2 3.51Å; E848-L855 HydrophobicContact CG-CD1 4.46Å
849	P	80.3	Confident	84.8	Confident	109 Å²	109	64.2 Å²	64.2	71%	0.708	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	118.3	168.5	-25.3	35.5	0	0	0	111.7	G851	P849-G851 VanDerWaalsContact C-N 3.25Å; P849-G851 PolarHBondContact O-N 3.5Å
850	G	76.7	Confident	85.5	Confident	68 Å²	68	66.6 Å²	66.6	70%	0.701	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	10.4	-175.2	0	0	0	0	0	115	E848 S853	E848-G850 PolarHBondContact O-N 3.5Å; E848-G850 VanDerWaalsContact O-N 3.15Å; G850-S853 PolarHBondContact O-OG 3.26Å
851	G	85.1	Confident	86.2	Confident	28 Å²	28	73.9 Å²	73.9	29%	0.289	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	64.4	-162	-178.1	0	0	0	0	0	113.7	E848 P849 S853 H854	E848-G851 WeakPolarHBondContact O-CA 3.25Å; E848-G851 PolarHBondContact O-N 3.06Å; P849-G851 VanDerWaalsContact C-N 3.25Å; P849-G851 PolarHBondContact O-N 3.5Å; G851-S853 PolarHBondContact O-N 2.91Å; G851-H854 PolarHBondContact O-ND1 3.41Å
852	L	89.9	Confident	87	Confident	17 Å²	17	72.5 Å²	72.5	9%	0.089	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-65.1	-6.4	-177.5	-54.1	-178.4	0	0	0	114.4	L802 R818 L819 H854 L855 T856 M867 L871	L802-L852 HydrophobicContact CD1-CD1 4.32Å; L802-L852 HydrophobicContact CD1-CD2 4.09Å; L802-L852 HydrophobicContact CD2-CD1 4.02Å; R818-L852 HydrophobicContact CB-CD2 4.18Å; L819-L852 HydrophobicContact CD2-CD1 4.18Å; L819-L852 HydrophobicContact CD2-CD2 4.3Å; L819-L852 HydrophobicContact CD2-CG 4.21Å; L852-H854 VanDerWaalsContact C-N 3.28Å; L852-H854 PolarHBondContact O-N 3.4Å; L852-L855 HydrophobicContact CD2-CD1 3.99Å; L852-L855 PolarHBondContact O-N 3Å; L852-L855 VanDerWaalsContact O-N 3.15Å; L852-T856 PolarHBondContact O-N 2.75Å; L852-T856 VanDerWaalsContact O-N 3.17Å; L852-T856 PolarHBondContact O-OG1 2.78Å; L852-M867 HydrophobicContact CB-SD 4.33Å; L852-M867 HydrophobicContact CD1-CG 4.35Å; L852-M867 HydrophobicContact CD1-SD 3.97Å; L852-L871 HydrophobicContact CD1-CD1 3.54Å
853	S	90	Very high	88.3	Confident	53 Å²	53	66.7 Å²	66.7	37%	0.371	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-55.7	-41.2	-177.2	-37.3	0	0	0	0	112.5	G850 G851 T856	G850-S853 PolarHBondContact O-OG 3.26Å; G851-S853 PolarHBondContact O-N 2.91Å; S853-T856 CarbonylContact O-C 3.58Å; S853-T856 PolarHBondContact O-N 3.42Å
854	H	88.9	Confident	89.3	Confident	97 Å²	97	67.1 Å²	67.1	45%	0.449	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-75.7	-25.9	-177.8	81.7	-94.8	0	0	0	113.1	E848 G851 L852 T856	E848-H854 IonicContact OE2-CE1 3.36Å; E848-H854 PolarHBondContact OE2-CE1 2.79Å; E848-H854 IonicContact OE2-NE2 3.51Å; G851-H854 PolarHBondContact O-ND1 3.41Å; L852-H854 VanDerWaalsContact C-N 3.28Å; L852-H854 PolarHBondContact O-N 3.4Å; H854-T856 VanDerWaalsContact C-N 3.3Å
855	L	89.6	Confident	89.8	Confident	39 Å²	39	66.7 Å²	66.7	20%	0.204	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-19.7	173	-60.5	174.8	0	0	0	112.1	Y794 E848 L852 P857	Y794-L855 HydrophobicContact CE2-CB 3.88Å; Y794-L855 HydrophobicContact CE2-CD1 4.26Å; E848-L855 HydrophobicContact CG-CD1 4.46Å; L852-L855 HydrophobicContact CD2-CD1 3.99Å; L852-L855 PolarHBondContact O-N 3Å; L852-L855 VanDerWaalsContact O-N 3.15Å; L855-P857 WeakPolarHBondContact O-CD 3.29Å
856	T	91.4	Very high	90.1	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.012	35%	0.349	C	S	.	.			trans	-121.7	53.1	-175.7	53.8	0	0	0	0	112.7	Y794 A797 T798 L852 S853 H854 R858 L859 H864 M867	Y794-T856 HydrophobicContact CD2-CG2 3.49Å; Y794-T856 VanDerWaalsContact CD2-CG2 3.49Å; Y794-T856 HydrophobicContact CE2-CG2 3.63Å; Y794-T856 HydrophobicContact CG-CG2 4.47Å; A797-T856 HydrophobicContact CB-CG2 4.43Å; T798-T856 HydrophobicContact CG2-CG2 3.85Å; L852-T856 PolarHBondContact O-N 2.75Å; L852-T856 VanDerWaalsContact O-N 3.17Å; L852-T856 PolarHBondContact O-OG1 2.78Å; S853-T856 CarbonylContact O-C 3.58Å; S853-T856 PolarHBondContact O-N 3.42Å; H854-T856 VanDerWaalsContact C-N 3.3Å; T856-R858 PolarHBondContact O-N 2.84Å; T856-L859 HydrophobicContact CG2-CD1 4.14Å; T856-L859 WeakPolarHBondContact O-CB 3.3Å; T856-L859 PolarHBondContact O-N 3.39Å; T856-H864 PolarHBondContact O-NE2 2.82Å; T856-H864 VanDerWaalsContact O-NE2 3.08Å; T856-H864 PolarHBondContact OG1-CD2 2.73Å; T856-H864 PolarHBondContact OG1-NE2 3.2Å; T856-M867 HydrophobicContact CG2-CE 4.41Å; T856-M867 HydrophobicContact CG2-SD 4.44Å
857	P	90.4	Very high	90.6	Very high	96 Å²	96	58.1 Å²	58.1	62%	0.623	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-6.8	-173.7	31.1	-38.1	0	0	0	114.2	L855	L855-P857 WeakPolarHBondContact O-CD 3.29Å
858	R	88.7	Confident	90.9	Very high	101 Å²	101	60.6 Å²	60.6	38%	0.381	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.8	176.2	-54.8	178.8	69.3	-124.9	-2.7	113	M699 A797 T856	M699-R858 VanDerWaalsContact O-CZ 3.25Å; M699-R858 PolarHBondContact O-NH1 3.23Å; M699-R858 PolarHBondContact O-NH2 2.62Å; A797-R858 PolarHBondContact O-NH1 3.27Å; A797-R858 VanDerWaalsContact O-NH1 3.17Å; T856-R858 PolarHBondContact O-N 2.84Å
859	L	92.1	Very high	91.3	Very high	18 Å²	18	61.3 Å²	61.3	9%	0.094	33%	0.333	C	S	.	.	S	Bend	trans	-92.6	151.8	178.1	-67.4	-175.2	0	0	0	111	F793 A797 T856 A863 H864 M867	F793-L859 HydrophobicContact CE2-CD1 4.16Å; F793-L859 HydrophobicContact CE2-CD2 3.98Å; F793-L859 HydrophobicContact CZ-CD1 4.2Å; F793-L859 HydrophobicContact CZ-CD2 4.38Å; A797-L859 HydrophobicContact CB-CD1 3.77Å; A797-L859 HydrophobicContact CB-CD2 3.84Å; A797-L859 HydrophobicContact CB-CG 3.8Å; T856-L859 HydrophobicContact CG2-CD1 4.14Å; T856-L859 WeakPolarHBondContact O-CB 3.3Å; T856-L859 PolarHBondContact O-N 3.39Å; L859-A863 HydrophobicContact CB-CB 3.8Å; L859-A863 HydrophobicContact CD1-CB 4.22Å; L859-A863 HydrophobicContact CD2-CB 4.08Å; L859-A863 HydrophobicContact CG-CB 4.25Å; L859-H864 PolarHBondContact O-CE1 2.61Å; L859-M867 HydrophobicContact CD1-CE 3.56Å
860	S	93.1	Very high	92.2	Very high	59 Å²	59	56.1 Å²	56.1	41%	0.413	30%	0.299	S	S	.	.			trans	-82.2	159.9	173.5	70.9	0	0	0	0	111.4	R862 A863 H864	S860-R862 PolarHBondContact O-N 3.13Å; S860-A863 WeakPolarHBondContact O-CA 3.42Å; S860-A863 VanDerWaalsContact O-CB 3.31Å; S860-A863 WeakPolarHBondContact O-CB 3.45Å; S860-A863 PolarHBondContact O-N 2.89Å; S860-A863 PolarHBondContact OG-N 3.07Å; S860-H864 PolarHBondContact O-N 2.91Å; S860-H864 PolarHBondContact O-ND1 3.19Å
861	R	93.2	Very high	93.2	Very high	216 Å²	216	53.4 Å²	53.4	82%	0.815	27%	0.268	S	S	*	.	H	α-helix	trans	-52.7	-31.1	175.7	-171.1	178.8	179.6	-164.4	-0.6	113.4	H864 R865	R861-H864 PolarHBondContact O-N 2.79Å; R861-R865 PolarHBondContact O-N 3.29Å; R861-R865 VanDerWaalsContact O-N 3.12Å
862	R	94.4	Very high	93.6	Very high	109 Å²	109	53.7 Å²	53.7	41%	0.411	26%	0.264	S	S	.	.	H	α-helix	trans	-70.4	-38.5	174	-68.9	177.5	169.4	104.8	-6.4	112.3	S860 R865 L866 H887 E888 Y889 D892	S860-R862 PolarHBondContact O-N 3.13Å; R862-R865 PolarHBondContact O-N 3.32Å; R862-L866 PolarHBondContact O-N 3.16Å; R862-L866 VanDerWaalsContact O-N 3.17Å; R862-H887 PolarHBondContact O-CE1 3.35Å; R862-E888 WeakPolarHBondContact CD-O 3.25Å; R862-E888 HydrophobicContact CG-CB 4.09Å; R862-Y889 HydrophobicContact CB-CD2 4.3Å; R862-D892 VanDerWaalsContact CZ-CB 3.49Å; R862-D892 IonicContact CZ-OD2 3.22Å; R862-D892 IonicContact NE-OD2 2.79Å; R862-D892 PolarHBondContact NE-OD2 2.87Å; R862-D892 IonicContact NH2-OD2 3.85Å; R862-D892 PolarHBondContact NH2-OD2 3.32Å
863	A	95.8	Very high	93.9	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.6	-40.2	171.1	0	0	0	0	0	112.1	F793 L859 S860 R865 L866 M867 Y889	F793-A863 HydrophobicContact CE1-CB 4.36Å; F793-A863 WeakPolarHBondContact CE1-O 3.42Å; F793-A863 HydrophobicContact CZ-CB 3.64Å; L859-A863 HydrophobicContact CB-CB 3.8Å; L859-A863 HydrophobicContact CD1-CB 4.22Å; L859-A863 HydrophobicContact CD2-CB 4.08Å; L859-A863 HydrophobicContact CG-CB 4.25Å; S860-A863 WeakPolarHBondContact O-CA 3.42Å; S860-A863 VanDerWaalsContact O-CB 3.31Å; S860-A863 WeakPolarHBondContact O-CB 3.45Å; S860-A863 PolarHBondContact O-N 2.89Å; S860-A863 PolarHBondContact OG-N 3.07Å; A863-R865 VanDerWaalsContact C-N 3.35Å; A863-R865 PolarHBondContact O-N 2.89Å; A863-L866 PolarHBondContact O-N 3.24Å; A863-M867 WeakPolarHBondContact O-CB 3.34Å; A863-M867 PolarHBondContact O-N 3.23Å; A863-Y889 HydrophobicContact CB-CD2 3.81Å; A863-Y889 HydrophobicContact CB-CE1 4.43Å; A863-Y889 HydrophobicContact CB-CE2 3.62Å; A863-Y889 HydrophobicContact CB-CG 4.32Å
864	H	95.3	Very high	94	Very high	35 Å²	35	52.2 Å²	52.2	16%	0.162	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-40	175.4	-61.2	125.6	0	0	0	112.7	T856 L859 S860 R861 M867 A868	T856-H864 PolarHBondContact O-NE2 2.82Å; T856-H864 VanDerWaalsContact O-NE2 3.08Å; T856-H864 PolarHBondContact OG1-CD2 2.73Å; T856-H864 PolarHBondContact OG1-NE2 3.2Å; L859-H864 PolarHBondContact O-CE1 2.61Å; S860-H864 PolarHBondContact O-N 2.91Å; S860-H864 PolarHBondContact O-ND1 3.19Å; R861-H864 PolarHBondContact O-N 2.79Å; H864-M867 PolarHBondContact O-N 3.03Å; H864-A868 PolarHBondContact O-N 3.44Å
865	R	95.5	Very high	94.1	Very high	109 Å²	109	47.8 Å²	47.8	41%	0.411	23%	0.233	S	C	.	.	H	α-helix	trans	-60	-51.2	172.5	-73.8	-177.4	66	-178.9	-0.5	112.3	R861 R862 A863 M867 A868 E869 E888	R861-R865 PolarHBondContact O-N 3.29Å; R861-R865 VanDerWaalsContact O-N 3.12Å; R862-R865 PolarHBondContact O-N 3.32Å; A863-R865 VanDerWaalsContact C-N 3.35Å; A863-R865 PolarHBondContact O-N 2.89Å; R865-M867 VanDerWaalsContact C-N 3.28Å; R865-M867 PolarHBondContact O-N 3.35Å; R865-A868 PolarHBondContact O-N 3.14Å; R865-A868 VanDerWaalsContact O-N 3.11Å; R865-E869 WeakPolarHBondContact O-CG 3.32Å; R865-E869 PolarHBondContact O-N 3.23Å; R865-E888 IonicContact CZ-OE1 2.79Å; R865-E888 IonicContact CZ-OE2 3.48Å; R865-E888 IonicContact NH1-OE1 3.96Å; R865-E888 PolarHBondContact NH1-OE1 3.49Å; R865-E888 IonicContact NH1-OE2 3.69Å; R865-E888 PolarHBondContact NH1-OE2 2.84Å; R865-E888 IonicContact NH2-OE1 2.86Å
866	L	97.8	Very high	94.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-40.3	178.1	-178.1	57.5	0	0	0	112.1	L708 F793 R862 A863 E869 L870 I879 A884 H887 Y889 F890	L708-L866 HydrophobicContact CD2-CD2 3.77Å; F793-L866 HydrophobicContact CE1-CB 4.38Å; F793-L866 HydrophobicContact CE1-CD2 4.37Å; F793-L866 HydrophobicContact CE1-CG 4.4Å; R862-L866 PolarHBondContact O-N 3.16Å; R862-L866 VanDerWaalsContact O-N 3.17Å; A863-L866 PolarHBondContact O-N 3.24Å; L866-E869 PolarHBondContact O-N 2.95Å; L866-L870 HydrophobicContact CD1-CD1 4.29Å; L866-L870 HydrophobicContact CD1-CG 4.39Å; L866-L870 HydrophobicContact CG-CD1 4.05Å; L866-L870 WeakPolarHBondContact O-CD1 3.48Å; L866-L870 VanDerWaalsContact O-CG 3.23Å; L866-L870 WeakPolarHBondContact O-CG 3.49Å; L866-L870 PolarHBondContact O-N 3.02Å; L866-I879 HydrophobicContact CD1-CD1 4.38Å; L866-I879 HydrophobicContact CD1-CG2 4.24Å; L866-A884 HydrophobicContact CD1-CB 4.03Å; L866-H887 HydrophobicContact CD1-CB 4.11Å; L866-Y889 HydrophobicContact CD2-CD1 3.76Å; L866-Y889 HydrophobicContact CD2-CG 4.47Å; L866-F890 HydrophobicContact CD2-CE2 3.91Å; L866-F890 HydrophobicContact CD2-CZ 4.24Å
867	M	97.6	Very high	94.3	Very high	4 Å²	4	57 Å²	57	2%	0.02	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-40.2	176.7	-173.4	175.1	-71.3	0	0	112.2	F793 Y794 L852 T856 L859 A863 H864 R865 L870 L871	F793-M867 HydrophobicContact CB-CE 4.26Å; F793-M867 HydrophobicContact CD1-CB 4.02Å; F793-M867 HydrophobicContact CD1-CE 3.7Å; F793-M867 HydrophobicContact CD1-CG 4.43Å; F793-M867 HydrophobicContact CD2-CE 4.31Å; F793-M867 HydrophobicContact CE1-CB 4.06Å; F793-M867 HydrophobicContact CE1-CE 4.13Å; F793-M867 HydrophobicContact CG-CE 3.82Å; Y794-M867 HydrophobicContact CD2-SD 4.23Å; L852-M867 HydrophobicContact CB-SD 4.33Å; L852-M867 HydrophobicContact CD1-CG 4.35Å; L852-M867 HydrophobicContact CD1-SD 3.97Å; T856-M867 HydrophobicContact CG2-CE 4.41Å; T856-M867 HydrophobicContact CG2-SD 4.44Å; L859-M867 HydrophobicContact CD1-CE 3.56Å; A863-M867 WeakPolarHBondContact O-CB 3.34Å; A863-M867 PolarHBondContact O-N 3.23Å; H864-M867 PolarHBondContact O-N 3.03Å; R865-M867 VanDerWaalsContact C-N 3.28Å; R865-M867 PolarHBondContact O-N 3.35Å; M867-L870 PolarHBondContact O-N 2.79Å; M867-L871 HydrophobicContact CG-CD1 3.91Å; M867-L871 WeakPolarHBondContact O-CB 3.49Å; M867-L871 WeakPolarHBondContact O-CG 3.48Å; M867-L871 PolarHBondContact O-N 3Å
868	A	95.4	Very high	94.6	Very high	65 Å²	65	52.7 Å²	52.7	54%	0.537	25%	0.249	S	C	.	.	H	α-helix	trans	-66.5	-39.1	175	0	0	0	0	0	112.4	H864 R865 L870 L871 V872	H864-A868 PolarHBondContact O-N 3.44Å; R865-A868 PolarHBondContact O-N 3.14Å; R865-A868 VanDerWaalsContact O-N 3.11Å; A868-L870 VanDerWaalsContact C-N 3.29Å; A868-L870 PolarHBondContact O-N 2.86Å; A868-L871 PolarHBondContact O-N 2.66Å; A868-V872 VanDerWaalsContact O-CG2 3.25Å; A868-V872 WeakPolarHBondContact O-CG2 3.46Å
869	E	97.2	Very high	95	Very high	63 Å²	63	48.9 Å²	48.9	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-71.4	-20.5	177.3	-69.3	174	-160.8	0	0	113.4	R865 L866 I879 H887	R865-E869 WeakPolarHBondContact O-CG 3.32Å; R865-E869 PolarHBondContact O-N 3.23Å; L866-E869 PolarHBondContact O-N 2.95Å; E869-I879 HydrophobicContact CB-CB 4.12Å; E869-I879 HydrophobicContact CB-CG2 3.9Å; E869-I879 WeakPolarHBondContact O-CG2 3.35Å; E869-I879 PolarHBondContact O-N 2.83Å; E869-I879 WeakPolarHBondContact OE2-CD1 3.49Å; E869-H887 IonicContact OE1-NE2 2.83Å; E869-H887 IonicContact OE2-CD2 2.61Å; E869-H887 PolarHBondContact OE2-CD2 2.9Å; E869-H887 IonicContact OE2-NE2 2.66Å
870	L	98	Very high	95.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-84.7	-39.5	172.6	-71	164.6	0	0	0	112.7	M786 V789 F793 L866 M867 A868 V872 I879	M786-L870 HydrophobicContact CB-CD2 4.26Å; M786-L870 HydrophobicContact CE-CD2 3.57Å; V789-L870 HydrophobicContact CB-CD2 4.37Å; V789-L870 HydrophobicContact CG1-CD1 4.06Å; V789-L870 HydrophobicContact CG1-CD2 4.27Å; F793-L870 HydrophobicContact CD1-CD1 4.36Å; L866-L870 HydrophobicContact CD1-CD1 4.29Å; L866-L870 HydrophobicContact CD1-CG 4.39Å; L866-L870 HydrophobicContact CG-CD1 4.05Å; L866-L870 WeakPolarHBondContact O-CD1 3.48Å; L866-L870 VanDerWaalsContact O-CG 3.23Å; L866-L870 WeakPolarHBondContact O-CG 3.49Å; L866-L870 PolarHBondContact O-N 3.02Å; M867-L870 PolarHBondContact O-N 2.79Å; A868-L870 VanDerWaalsContact C-N 3.29Å; A868-L870 PolarHBondContact O-N 2.86Å; L870-V872 VanDerWaalsContact C-N 3.28Å; L870-V872 PolarHBondContact O-N 3.2Å; L870-I879 HydrophobicContact CD2-CG2 3.62Å; L870-I879 HydrophobicContact CG-CG2 3.84Å
871	L	97.3	Very high	95.6	Very high	10 Å²	10	47 Å²	47	5%	0.052	22%	0.224	C	C	.	.	S	Bend	trans	-92.6	35.8	-175	-64.1	175.2	0	0	0	113.3	W787 L802 F803 L819 L852 M867 A868	W787-L871 HydrophobicContact CD2-CD2 3.97Å; W787-L871 HydrophobicContact CE3-CB 4.48Å; W787-L871 HydrophobicContact CE3-CD2 3.91Å; W787-L871 HydrophobicContact CH2-CD2 4.32Å; W787-L871 HydrophobicContact CZ2-CD2 4.37Å; W787-L871 HydrophobicContact CZ3-CB 4.18Å; W787-L871 HydrophobicContact CZ3-CD2 4.1Å; L802-L871 HydrophobicContact CD2-CD1 3.58Å; F803-L871 HydrophobicContact CE2-CD2 4.47Å; L819-L871 HydrophobicContact CD1-CB 4.34Å; L852-L871 HydrophobicContact CD1-CD1 3.54Å; M867-L871 HydrophobicContact CG-CD1 3.91Å; M867-L871 WeakPolarHBondContact O-CB 3.49Å; M867-L871 WeakPolarHBondContact O-CG 3.48Å; M867-L871 PolarHBondContact O-N 3Å; A868-L871 PolarHBondContact O-N 2.66Å
872	V	95.2	Very high	95.7	Very high	35 Å²	35	41.4 Å²	41.4	21%	0.212	21%	0.208	C	C	.	.			trans	-78.3	141.4	175.8	179.4	0	0	0	0	110.6	A868 L870 Q877 R878	A868-V872 VanDerWaalsContact O-CG2 3.25Å; A868-V872 WeakPolarHBondContact O-CG2 3.46Å; L870-V872 VanDerWaalsContact C-N 3.28Å; L870-V872 PolarHBondContact O-N 3.2Å; V872-Q877 HydrophobicContact CG1-CB 3.68Å; V872-R878 HydrophobicContact CB-CG 3.96Å; V872-R878 PolarHBondContact O-NE 3.21Å; V872-R878 PolarHBondContact O-NH2 3Å
873	F	94.6	Very high	95.9	Very high	22 Å²	22	43.1 Å²	43.1	10%	0.096	22%	0.219	C	C	.	.	S	Bend	trans	-62.5	-62.5	-176.7	-80.2	-66.9	0	0	0	113.3	P771 I815 F816 L819 G820 P822 W827 G875 R878	P771-F873 HydrophobicContact CB-CD1 4.13Å; P771-F873 HydrophobicContact CB-CE1 4.36Å; P771-F873 HydrophobicContact CG-CD1 3.73Å; P771-F873 HydrophobicContact CG-CE1 4.24Å; I815-F873 HydrophobicContact CG2-CE1 3.81Å; I815-F873 HydrophobicContact CG2-CZ 4.33Å; F816-F873 AromaticContact CD1-CE1 3.89Å; F816-F873 HydrophobicContact CD1-CE1 3.89Å; F816-F873 HydrophobicContact CD1-CZ 4.04Å; F816-F873 AromaticContact CE1-CE1 3.77Å; F816-F873 HydrophobicContact CE1-CE1 3.77Å; F816-F873 HydrophobicContact CE1-CZ 4.33Å; L819-F873 HydrophobicContact CB-CE2 4.02Å; L819-F873 HydrophobicContact CB-CZ 3.73Å; L819-F873 HydrophobicContact CD1-CZ 4.36Å; G820-F873 VanDerWaalsContact O-CZ 3.24Å; G820-F873 WeakPolarHBondContact O-CZ 3.41Å; P822-F873 HydrophobicContact CB-CD2 4.26Å; P822-F873 HydrophobicContact CB-CE2 4.4Å; P822-F873 HydrophobicContact CB-CG 4.34Å; P822-F873 HydrophobicContact CG-CD1 4.46Å; P822-F873 HydrophobicContact CG-CE1 4.37Å; W827-F873 HydrophobicContact CD2-CB 4.18Å; W827-F873 HydrophobicContact CE3-CB 3.64Å; W827-F873 HydrophobicContact CE3-CD1 4.15Å; W827-F873 HydrophobicContact CE3-CG 4.11Å; W827-F873 HydrophobicContact CZ3-CB 4.2Å; W827-F873 HydrophobicContact CZ3-CD1 4.13Å; F873-G875 PolarHBondContact O-N 2.87Å; F873-R878 PolarHBondContact O-NH2 3.02Å
874	P	92.1	Very high	96	Very high	16 Å²	16	43.1 Å²	43.1	10%	0.104	22%	0.219	C	C	.	.	S	Bend	trans	-69.1	125.8	175.7	-17	30.5	0	0	0	111.5	W827 I876 Q877	W827-P874 HydrophobicContact CB-CG 4.22Å; W827-P874 HydrophobicContact CD2-CG 4.36Å; W827-P874 HydrophobicContact CG-CG 3.82Å; P874-I876 VanDerWaalsContact C-N 3.3Å; P874-I876 PolarHBondContact O-N 2.91Å; P874-Q877 HydrophobicContact CB-CB 4.5Å; P874-Q877 HydrophobicContact CB-CG 4.18Å; P874-Q877 HydrophobicContact CG-CG 4.44Å; P874-Q877 PolarHBondContact O-N 3.34Å
875	G	92.1	Very high	96.1	Very high	5 Å²	5	42 Å²	42	5%	0.052	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-52.1	-44.9	179.1	0	0	0	0	0	113.8	D772 H783 F873 Q877 R878	D772-G875 WeakPolarHBondContact OD2-CA 3.47Å; D772-G875 PolarHBondContact OD2-N 3.17Å; D772-G875 VanDerWaalsContact OD2-N 3.14Å; H783-G875 WeakPolarHBondContact CB-O 3.28Å; H783-G875 PolarHBondContact CD2-O 2.72Å; F873-G875 PolarHBondContact O-N 2.87Å; G875-Q877 PolarHBondContact O-N 3.44Å; G875-R878 WeakPolarHBondContact O-CB 3.35Å; G875-R878 PolarHBondContact O-N 3.17Å
876	I	90.7	Very high	96.1	Very high	117 Å²	117	42.4 Å²	42.4	60%	0.6	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-55.8	-26.1	-179.7	-59.6	170.4	0	0	0	112.9	P874	P874-I876 VanDerWaalsContact C-N 3.3Å; P874-I876 PolarHBondContact O-N 2.91Å
877	Q	93.9	Very high	96.1	Very high	116 Å²	116	43.1 Å²	43.1	54%	0.542	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-91.1	-12.1	-178.6	-63.5	179.9	6.4	0	0	114	V872 P874 G875	V872-Q877 HydrophobicContact CG1-CB 3.68Å; P874-Q877 HydrophobicContact CB-CB 4.5Å; P874-Q877 HydrophobicContact CB-CG 4.18Å; P874-Q877 HydrophobicContact CG-CG 4.44Å; P874-Q877 PolarHBondContact O-N 3.34Å; G875-Q877 PolarHBondContact O-N 3.44Å
878	R	96.7	Very high	96	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.026	24%	0.235	C	C	.	.	S	Bend	trans	-67.2	141.4	179.5	-63.3	175.5	-167.7	135.3	11.7	111	D772 H783 M786 V872 F873 G875 S880	D772-R878 IonicContact OD1-CZ 2.86Å; D772-R878 IonicContact OD1-NH1 2.79Å; D772-R878 PolarHBondContact OD1-NH1 3.33Å; D772-R878 IonicContact OD1-NH2 2.65Å; D772-R878 PolarHBondContact OD1-NH2 3.46Å; D772-R878 IonicContact OD2-CZ 2.62Å; D772-R878 IonicContact OD2-NH1 3.6Å; D772-R878 PolarHBondContact OD2-NH1 3.25Å; D772-R878 IonicContact OD2-NH2 2.66Å; D772-R878 PolarHBondContact OD2-NH2 2.76Å; H783-R878 HydrophobicContact CB-CB 4.48Å; H783-R878 WeakPolarHBondContact O-CD 3.48Å; H783-R878 PolarHBondContact O-NH1 2.83Å; M786-R878 HydrophobicContact CB-CB 4.39Å; V872-R878 HydrophobicContact CB-CG 3.96Å; V872-R878 PolarHBondContact O-NE 3.21Å; V872-R878 PolarHBondContact O-NH2 3Å; F873-R878 PolarHBondContact O-NH2 3.02Å; G875-R878 WeakPolarHBondContact O-CB 3.35Å; G875-R878 PolarHBondContact O-N 3.17Å; R878-S880 PolarHBondContact O-N 3.19Å
879	I	98.2	Very high	96.1	Very high	20 Å²	20	43.5 Å²	43.5	10%	0.103	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-60.7	128.4	175.6	-169.2	167.9	0	0	0	110.9	M786 L866 E869 L870 K883 A884	M786-I879 WeakPolarHBondContact CE-O 3.25Å; M786-I879 WeakPolarHBondContact CG-O 3.45Å; L866-I879 HydrophobicContact CD1-CD1 4.38Å; L866-I879 HydrophobicContact CD1-CG2 4.24Å; E869-I879 HydrophobicContact CB-CB 4.12Å; E869-I879 HydrophobicContact CB-CG2 3.9Å; E869-I879 WeakPolarHBondContact O-CG2 3.35Å; E869-I879 PolarHBondContact O-N 2.83Å; E869-I879 WeakPolarHBondContact OE2-CD1 3.49Å; L870-I879 HydrophobicContact CD2-CG2 3.62Å; L870-I879 HydrophobicContact CG-CG2 3.84Å; I879-K883 HydrophobicContact CD1-CB 3.93Å; I879-K883 HydrophobicContact CG1-CB 3.54Å; I879-A884 HydrophobicContact CD1-CB 4.15Å; I879-A884 HydrophobicContact CG1-CB 4.16Å; I879-A884 HydrophobicContact CG2-CB 4.25Å
880	S	98	Very high	96	Very high	38 Å²	38	40.5 Å²	40.5	27%	0.266	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-76.4	152.8	177	67.1	0	0	0	0	111.5	R878 M882 K883 A884	R878-S880 PolarHBondContact O-N 3.19Å; S880-M882 VanDerWaalsContact C-N 3.25Å; S880-M882 PolarHBondContact O-N 2.79Å; S880-M882 VanDerWaalsContact O-N 3.14Å; S880-K883 WeakPolarHBondContact O-CA 3.48Å; S880-K883 PolarHBondContact O-N 3.03Å; S880-A884 PolarHBondContact O-N 3.17Å
881	A	98.1	Very high	95.8	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-52.2	-41.4	-177.1	0	0	0	0	0	113.5	L712 L715 A716 M786 K883 A884 L885	L712-A881 HydrophobicContact CD2-CB 4.38Å; L715-A881 HydrophobicContact CB-CB 4.2Å; A716-A881 HydrophobicContact CB-CB 3.95Å; M786-A881 HydrophobicContact CE-CB 4.04Å; M786-A881 HydrophobicContact SD-CB 3.84Å; M786-A881 PolarHBondContact SD-N 2.98Å; A881-K883 VanDerWaalsContact C-N 3.34Å; A881-K883 PolarHBondContact O-N 3.46Å; A881-A884 PolarHBondContact O-N 3.08Å; A881-L885 WeakPolarHBondContact O-CG 3.24Å; A881-L885 PolarHBondContact O-N 3.2Å
882	M	96.8	Very high	95.4	Very high	97 Å²	97	45.8 Å²	45.8	48%	0.478	23%	0.228	S	C	.	.	H	α-helix	trans	-65.9	-30	177.5	-175	60	72.7	0	0	113.9	A716 S880	A716-M882 HydrophobicContact CB-CE 4.37Å; S880-M882 VanDerWaalsContact C-N 3.25Å; S880-M882 PolarHBondContact O-N 2.79Å; S880-M882 VanDerWaalsContact O-N 3.14Å
883	K	97.5	Very high	94.9	Very high	145 Å²	145	45.7 Å²	45.7	63%	0.63	23%	0.229	S	C	*	.	H	α-helix	trans	-78.9	-43.4	171.4	-73.4	-177.6	176.3	-177.4	0	110.8	I879 S880 A881 L885 K886 H887	I879-K883 HydrophobicContact CD1-CB 3.93Å; I879-K883 HydrophobicContact CG1-CB 3.54Å; S880-K883 WeakPolarHBondContact O-CA 3.48Å; S880-K883 PolarHBondContact O-N 3.03Å; A881-K883 VanDerWaalsContact C-N 3.34Å; A881-K883 PolarHBondContact O-N 3.46Å; K883-L885 VanDerWaalsContact C-N 3.32Å; K883-L885 PolarHBondContact O-N 3.1Å; K883-K886 CarbonylContact O-C 3.56Å; K883-K886 WeakPolarHBondContact O-CA 3.37Å; K883-K886 PolarHBondContact O-N 3.38Å; K883-H887 PolarHBondContact O-N 3.5Å
884	A	98.3	Very high	94.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-37.7	-178.8	0	0	0	0	0	113	L712 L866 I879 S880 A881 K886 H887 F890	L712-A884 HydrophobicContact CD1-CB 3.82Å; L712-A884 HydrophobicContact CD2-CB 3.76Å; L712-A884 HydrophobicContact CG-CB 4.42Å; L866-A884 HydrophobicContact CD1-CB 4.03Å; I879-A884 HydrophobicContact CD1-CB 4.15Å; I879-A884 HydrophobicContact CG1-CB 4.16Å; I879-A884 HydrophobicContact CG2-CB 4.25Å; S880-A884 PolarHBondContact O-N 3.17Å; A881-A884 PolarHBondContact O-N 3.08Å; A884-K886 PolarHBondContact O-N 2.88Å; A884-K886 VanDerWaalsContact O-N 3.17Å; A884-H887 VanDerWaalsContact O-CB 3.32Å; A884-H887 WeakPolarHBondContact O-CB 3.5Å; A884-H887 PolarHBondContact O-N 3.16Å; A884-F890 WeakPolarHBondContact O-CD2 3.22Å; A884-F890 WeakPolarHBondContact O-CE2 3.25Å
885	L	97.1	Very high	93.6	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.063	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25	172.7	-74.5	166.6	0	0	0	113.7	Y709 L712 R713 A716 A881 K883 F898	Y709-L885 HydrophobicContact CD1-CD2 4.42Å; Y709-L885 HydrophobicContact CD2-CD2 3.69Å; Y709-L885 HydrophobicContact CE1-CD2 4.27Å; Y709-L885 HydrophobicContact CE2-CD2 3.53Å; Y709-L885 HydrophobicContact CG-CD2 4.14Å; L712-L885 HydrophobicContact CB-CD2 3.67Å; L712-L885 HydrophobicContact CB-CG 3.94Å; R713-L885 HydrophobicContact CB-CD2 4.21Å; A716-L885 HydrophobicContact CB-CD1 3.85Å; A881-L885 WeakPolarHBondContact O-CG 3.24Å; A881-L885 PolarHBondContact O-N 3.2Å; K883-L885 VanDerWaalsContact C-N 3.32Å; K883-L885 PolarHBondContact O-N 3.1Å; L885-F898 VanDerWaalsContact O-CE2 3.28Å; L885-F898 WeakPolarHBondContact O-CE2 3.15Å
886	K	96.1	Very high	93.5	Very high	118 Å²	118	58.9 Å²	58.9	51%	0.513	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	9.3	-177.5	-55.6	-178.7	-176.5	-176.8	0	113	K883 A884	K883-K886 CarbonylContact O-C 3.56Å; K883-K886 WeakPolarHBondContact O-CA 3.37Å; K883-K886 PolarHBondContact O-N 3.38Å; A884-K886 PolarHBondContact O-N 2.88Å; A884-K886 VanDerWaalsContact O-N 3.17Å
887	H	97.6	Very high	93.5	Very high	14 Å²	14	55.2 Å²	55.2	7%	0.065	28%	0.279	C	S	.	.	S	Bend	trans	-72.1	151.1	179.3	178.5	-88	0	0	0	111.4	R862 L866 E869 K883 A884 Y889 F890 T891	R862-H887 PolarHBondContact O-CE1 3.35Å; L866-H887 HydrophobicContact CD1-CB 4.11Å; E869-H887 IonicContact OE1-NE2 2.83Å; E869-H887 IonicContact OE2-CD2 2.61Å; E869-H887 PolarHBondContact OE2-CD2 2.9Å; E869-H887 IonicContact OE2-NE2 2.66Å; K883-H887 PolarHBondContact O-N 3.5Å; A884-H887 VanDerWaalsContact O-CB 3.32Å; A884-H887 WeakPolarHBondContact O-CB 3.5Å; A884-H887 PolarHBondContact O-N 3.16Å; H887-Y889 WeakPolarHBondContact ND1-CB 3.37Å; H887-Y889 PolarHBondContact ND1-N 3.22Å; H887-Y889 VanDerWaalsContact ND1-N 3.16Å; H887-Y889 PolarHBondContact O-N 2.87Å; H887-F890 PolarHBondContact O-N 3.25Å; H887-T891 PolarHBondContact O-N 3.2Å
888	E	96.1	Very high	93.4	Very high	63 Å²	63	50.7 Å²	50.7	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-42.2	-35.1	-179.6	-66.3	175.5	-172.3	0	0	114.2	R862 R865 F890 T891 D892	R862-E888 WeakPolarHBondContact CD-O 3.25Å; R862-E888 HydrophobicContact CG-CB 4.09Å; R865-E888 IonicContact CZ-OE1 2.79Å; R865-E888 IonicContact CZ-OE2 3.48Å; R865-E888 IonicContact NH1-OE1 3.96Å; R865-E888 PolarHBondContact NH1-OE1 3.49Å; R865-E888 IonicContact NH1-OE2 3.69Å; R865-E888 PolarHBondContact NH1-OE2 2.84Å; R865-E888 IonicContact NH2-OE1 2.86Å; E888-F890 PolarHBondContact O-N 3.15Å; E888-T891 VanDerWaalsContact CA-OG1 3.25Å; E888-T891 WeakPolarHBondContact CA-OG1 3.43Å; E888-D892 VanDerWaalsContact O-CB 3.32Å; E888-D892 WeakPolarHBondContact O-CB 3.43Å; E888-D892 PolarHBondContact O-N 2.82Å
889	Y	96.1	Very high	93	Very high	15 Å²	15	57.4 Å²	57.4	6%	0.059	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-29.4	179.5	-179.3	-128	0	0	0	113.9	Q705 L708 F793 R862 A863 L866 H887	Q705-Y889 HydrophobicContact CB-CE1 4.38Å; Q705-Y889 WeakPolarHBondContact CB-OH 3.49Å; Q705-Y889 HydrophobicContact CG-CE1 3.9Å; Q705-Y889 HydrophobicContact CG-CE2 4.31Å; Q705-Y889 PolarHBondContact NE2-O 2.5Å; L708-Y889 HydrophobicContact CD2-CD1 4.35Å; L708-Y889 HydrophobicContact CD2-CE1 4Å; F793-Y889 HydrophobicContact CE2-CE1 4.28Å; F793-Y889 HydrophobicContact CZ-CD1 4.41Å; F793-Y889 AromaticContact CZ-CE1 3.85Å; F793-Y889 HydrophobicContact CZ-CE1 3.85Å; R862-Y889 HydrophobicContact CB-CD2 4.3Å; A863-Y889 HydrophobicContact CB-CD2 3.81Å; A863-Y889 HydrophobicContact CB-CE1 4.43Å; A863-Y889 HydrophobicContact CB-CE2 3.62Å; A863-Y889 HydrophobicContact CB-CG 4.32Å; L866-Y889 HydrophobicContact CD2-CD1 3.76Å; L866-Y889 HydrophobicContact CD2-CG 4.47Å; H887-Y889 WeakPolarHBondContact ND1-CB 3.37Å; H887-Y889 PolarHBondContact ND1-N 3.22Å; H887-Y889 VanDerWaalsContact ND1-N 3.16Å; H887-Y889 PolarHBondContact O-N 2.87Å
890	F	96.4	Very high	92.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-99.6	-40.5	175.5	-57.7	-64	0	0	0	112.1	Q705 L708 Y709 L712 L866 A884 H887 E888 F896 F898	Q705-F890 HydrophobicContact CG-CD1 3.96Å; Q705-F890 HydrophobicContact CG-CE1 3.9Å; L708-F890 HydrophobicContact CB-CZ 4.41Å; L708-F890 HydrophobicContact CD2-CZ 3.96Å; L708-F890 HydrophobicContact CG-CZ 4.09Å; Y709-F890 HydrophobicContact CD2-CB 4.43Å; Y709-F890 AromaticContact CD2-CD1 3.77Å; Y709-F890 HydrophobicContact CD2-CD1 3.77Å; Y709-F890 HydrophobicContact CD2-CD2 4.14Å; Y709-F890 AromaticContact CD2-CE1 3.98Å; Y709-F890 HydrophobicContact CD2-CE1 3.98Å; Y709-F890 HydrophobicContact CD2-CE2 4.33Å; Y709-F890 AromaticContact CD2-CG 3.85Å; Y709-F890 HydrophobicContact CD2-CG 3.85Å; Y709-F890 HydrophobicContact CD2-CZ 4.25Å; Y709-F890 HydrophobicContact CE2-CG 4.43Å; Y709-F890 HydrophobicContact CG-CD1 4.47Å; Y709-F890 HydrophobicContact CG-CE1 4.38Å; L712-F890 HydrophobicContact CD1-CE2 3.69Å; L712-F890 HydrophobicContact CD1-CZ 3.9Å; L866-F890 HydrophobicContact CD2-CE2 3.91Å; L866-F890 HydrophobicContact CD2-CZ 4.24Å; A884-F890 WeakPolarHBondContact O-CD2 3.22Å; A884-F890 WeakPolarHBondContact O-CE2 3.25Å; H887-F890 PolarHBondContact O-N 3.25Å; E888-F890 PolarHBondContact O-N 3.15Å; F890-F896 HydrophobicContact CB-CD1 4.14Å; F890-F896 HydrophobicContact CB-CE1 4Å; F890-F896 HydrophobicContact CD1-CD1 4.24Å; F890-F896 AromaticContact CD1-CE1 3.7Å; F890-F896 HydrophobicContact CD1-CE1 3.7Å; F890-F896 HydrophobicContact CD1-CE2 4.42Å; F890-F896 AromaticContact CD1-CZ 3.81Å; F890-F896 HydrophobicContact CD1-CZ 3.81Å; F890-F896 HydrophobicContact CE1-CZ 4.34Å; F890-F896 HydrophobicContact CG-CE1 4.22Å; F890-F898 HydrophobicContact CB-CD2 4.16Å; F890-F898 WeakPolarHBondContact O-CB 3.48Å
891	T	93.3	Very high	92.5	Very high	48 Å²	48	57.9 Å²	57.9	29%	0.294	29%	0.291	S	S	.	.	H	α-helix	trans	-68.7	-40.4	-174.9	55.2	0	0	0	0	113.2	H887 E888 F898	H887-T891 PolarHBondContact O-N 3.2Å; E888-T891 VanDerWaalsContact CA-OG1 3.25Å; E888-T891 WeakPolarHBondContact CA-OG1 3.43Å; T891-F898 HydrophobicContact CG2-CD1 3.91Å; T891-F898 HydrophobicContact CG2-CD2 4.29Å; T891-F898 HydrophobicContact CG2-CE1 3.76Å; T891-F898 HydrophobicContact CG2-CE2 4.16Å; T891-F898 HydrophobicContact CG2-CG 4.19Å; T891-F898 HydrophobicContact CG2-CZ 3.89Å
892	D	87.5	Confident	92.1	Very high	73 Å²	73	61.9 Å²	61.9	39%	0.39	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	2.1	-170.5	-53.4	7.2	0	0	0	112.4	R862 E888 S894	R862-D892 VanDerWaalsContact CZ-CB 3.49Å; R862-D892 IonicContact CZ-OD2 3.22Å; R862-D892 IonicContact NE-OD2 2.79Å; R862-D892 PolarHBondContact NE-OD2 2.87Å; R862-D892 IonicContact NH2-OD2 3.85Å; R862-D892 PolarHBondContact NH2-OD2 3.32Å; E888-D892 VanDerWaalsContact O-CB 3.32Å; E888-D892 WeakPolarHBondContact O-CB 3.43Å; E888-D892 PolarHBondContact O-N 2.82Å; D892-S894 PolarHBondContact O-N 3.04Å
893	S	84.9	Confident	91.9	Very high	32 Å²	32	61.7 Å²	61.7	22%	0.224	32%	0.32	C	S	.	.			trans	-85.8	100.9	-175.8	-175.6	0	0	0	0	109.7	Q705 R895 F896	Q705-S893 PolarHBondContact NE2-OG 3.03Å; Q705-S893 VanDerWaalsContact NE2-OG 3.16Å; Q705-S893 PolarHBondContact OE1-OG 2.89Å; S893-R895 PolarHBondContact O-N 3.19Å; S893-F896 WeakPolarHBondContact O-CB 3.34Å; S893-F896 PolarHBondContact O-N 2.93Å
894	S	79.2	Confident	91.7	Very high	130 Å²	130	56.5 Å²	56.5	91%	0.909	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-12.6	-177	58.7	0	0	0	0	115.5	D892	D892-S894 PolarHBondContact O-N 3.04Å
895	R	81.8	Confident	91.5	Very high	174 Å²	174	59.5 Å²	59.5	66%	0.657	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-4.9	171.8	-59.4	-155.1	-62.5	-107.3	5.1	114	D702 S893	D702-R895 IonicContact OD1-CZ 2.68Å; D702-R895 IonicContact OD1-NH2 3.52Å; D702-R895 PolarHBondContact OD1-NH2 3.02Å; D702-R895 IonicContact OD2-CZ 2.69Å; D702-R895 VanDerWaalsContact OD2-CZ 3.22Å; D702-R895 IonicContact OD2-NE 2.66Å; D702-R895 PolarHBondContact OD2-NE 3.22Å; D702-R895 IonicContact OD2-NH2 2.64Å; D702-R895 PolarHBondContact OD2-NH2 3.08Å; S893-R895 PolarHBondContact O-N 3.19Å
896	F	90.2	Very high	91.3	Very high	16 Å²	16	60.6 Å²	60.6	7%	0.07	33%	0.331	C	S	.	.	S	Bend	trans	-112.3	118	-172.4	-162.4	-98	0	0	0	110.1	Q705 L706 Y709 F890 S893 F898 F901	Q705-F896 HydrophobicContact CB-CE2 4.42Å; Q705-F896 HydrophobicContact CG-CD2 3.74Å; Q705-F896 HydrophobicContact CG-CE2 3.78Å; Q705-F896 HydrophobicContact CG-CG 4.44Å; L706-F896 HydrophobicContact CD2-CE2 3.91Å; L706-F896 HydrophobicContact CG-CE2 4.32Å; Y709-F896 HydrophobicContact CD1-CZ 4.21Å; Y709-F896 AromaticContact CD2-CE1 3.74Å; Y709-F896 HydrophobicContact CD2-CE1 3.74Å; Y709-F896 AromaticContact CD2-CZ 3.75Å; Y709-F896 HydrophobicContact CD2-CZ 3.75Å; Y709-F896 HydrophobicContact CE2-CE1 4.08Å; Y709-F896 HydrophobicContact CE2-CZ 4.46Å; Y709-F896 HydrophobicContact CG-CE1 4.06Å; Y709-F896 AromaticContact CG-CZ 3.61Å; Y709-F896 HydrophobicContact CG-CZ 3.61Å; F890-F896 HydrophobicContact CB-CD1 4.14Å; F890-F896 HydrophobicContact CB-CE1 4Å; F890-F896 HydrophobicContact CD1-CD1 4.24Å; F890-F896 AromaticContact CD1-CE1 3.7Å; F890-F896 HydrophobicContact CD1-CE1 3.7Å; F890-F896 HydrophobicContact CD1-CE2 4.42Å; F890-F896 AromaticContact CD1-CZ 3.81Å; F890-F896 HydrophobicContact CD1-CZ 3.81Å; F890-F896 HydrophobicContact CE1-CZ 4.34Å; F890-F896 HydrophobicContact CG-CE1 4.22Å; S893-F896 WeakPolarHBondContact O-CB 3.34Å; S893-F896 PolarHBondContact O-N 2.93Å; F896-F898 HydrophobicContact CD1-CB 4.21Å; F896-F898 PolarHBondContact O-N 2.93Å; F896-F901 HydrophobicContact CD1-CD2 4.3Å; F896-F901 HydrophobicContact CD1-CE2 4.46Å; F896-F901 HydrophobicContact CD2-CE2 4.41Å; F896-F901 AromaticContact CE1-CD2 3.57Å; F896-F901 HydrophobicContact CE1-CD2 3.57Å; F896-F901 AromaticContact CE1-CE2 3.89Å; F896-F901 HydrophobicContact CE1-CE2 3.89Å; F896-F901 HydrophobicContact CE2-CD2 4.35Å; F896-F901 AromaticContact CE2-CE2 3.83Å; F896-F901 HydrophobicContact CE2-CE2 3.83Å; F896-F901 AromaticContact CZ-CD2 3.59Å; F896-F901 HydrophobicContact CZ-CD2 3.59Å; F896-F901 AromaticContact CZ-CE2 3.53Å; F896-F901 HydrophobicContact CZ-CE2 3.53Å
897	P	90.8	Very high	91	Very high	41 Å²	41	59.7 Å²	59.7	27%	0.266	33%	0.332	S	S	.	.			trans	-80.9	59.6	-173.4	34.2	-36.7	0	0	0	111.9	H899 T900 F901 V916	P897-H899 PolarHBondContact O-N 3.41Å; P897-T900 PolarHBondContact O-N 3.45Å; P897-F901 HydrophobicContact CG-CD1 4.13Å; P897-F901 HydrophobicContact CG-CD2 4.34Å; P897-F901 HydrophobicContact CG-CE1 3.66Å; P897-F901 HydrophobicContact CG-CE2 3.89Å; P897-F901 HydrophobicContact CG-CG 4.45Å; P897-F901 HydrophobicContact CG-CZ 3.52Å; P897-F901 PolarHBondContact O-N 3.48Å; P897-V916 HydrophobicContact CG-CG2 3.75Å
898	F	90.8	Very high	90.9	Very high	20 Å²	20	60.7 Å²	60.7	9%	0.088	34%	0.34	C	S	.	.	H	α-helix	trans	-52.3	-47.9	-173.7	166.8	-101.9	0	0	0	113.3	Y709 L885 F890 T891 F896 T900 F901 N902	Y709-F898 HydrophobicContact CE2-CD2 4.43Å; L885-F898 VanDerWaalsContact O-CE2 3.28Å; L885-F898 WeakPolarHBondContact O-CE2 3.15Å; F890-F898 HydrophobicContact CB-CD2 4.16Å; F890-F898 WeakPolarHBondContact O-CB 3.48Å; T891-F898 HydrophobicContact CG2-CD1 3.91Å; T891-F898 HydrophobicContact CG2-CD2 4.29Å; T891-F898 HydrophobicContact CG2-CE1 3.76Å; T891-F898 HydrophobicContact CG2-CE2 4.16Å; T891-F898 HydrophobicContact CG2-CG 4.19Å; T891-F898 HydrophobicContact CG2-CZ 3.89Å; F896-F898 HydrophobicContact CD1-CB 4.21Å; F896-F898 PolarHBondContact O-N 2.93Å; F898-T900 VanDerWaalsContact C-N 3.32Å; F898-T900 PolarHBondContact O-N 3Å; F898-F901 PolarHBondContact O-N 2.83Å; F898-N902 HydrophobicContact CE1-CB 4.47Å; F898-N902 HydrophobicContact CE2-CB 4.04Å; F898-N902 HydrophobicContact CZ-CB 3.98Å; F898-N902 VanDerWaalsContact O-CB 3.29Å; F898-N902 WeakPolarHBondContact O-CB 3.49Å; F898-N902 PolarHBondContact O-N 2.76Å
899	H	89.2	Confident	90.9	Very high	149 Å²	149	58 Å²	58	69%	0.69	33%	0.328	S	S	*	.	H	α-helix	trans	-59.5	-43	-178.1	-65.3	-72	0	0	0	112	P897 S903	P897-H899 PolarHBondContact O-N 3.41Å; H899-S903 PolarHBondContact O-N 3.07Å; H899-S903 PolarHBondContact O-OG 3.03Å
900	T	91.9	Very high	90.9	Very high	65 Å²	65	57.3 Å²	57.3	40%	0.399	33%	0.326	S	S	.	.	H	α-helix	trans	-66.3	-47.7	176.6	-39.7	0	0	0	0	110.8	P897 F898 N902 S903 L904 V913	P897-T900 PolarHBondContact O-N 3.45Å; F898-T900 VanDerWaalsContact C-N 3.32Å; F898-T900 PolarHBondContact O-N 3Å; T900-N902 VanDerWaalsContact C-N 3.34Å; T900-N902 PolarHBondContact O-N 3.38Å; T900-S903 PolarHBondContact O-N 2.68Å; T900-S903 PolarHBondContact O-OG 3.28Å; T900-L904 PolarHBondContact O-N 3.24Å; T900-V913 HydrophobicContact CG2-CB 4.48Å; T900-V913 HydrophobicContact CG2-CG1 3.82Å; T900-V913 HydrophobicContact CG2-CG2 3.77Å
901	F	93.3	Very high	90.9	Very high	3 Å²	3	58 Å²	58	1%	0.013	33%	0.329	C	S	.	.	H	α-helix	trans	-60.4	-39.9	178.5	-71.2	-10.5	0	0	0	113.6	L706 Y709 F896 P897 F898 S903 L904 V910 V913 V916	L706-F901 HydrophobicContact CD2-CE2 3.98Å; L706-F901 HydrophobicContact CD2-CZ 4.07Å; Y709-F901 HydrophobicContact CD1-CD2 4.1Å; Y709-F901 HydrophobicContact CE1-CB 3.69Å; Y709-F901 AromaticContact CE1-CD2 3.92Å; Y709-F901 HydrophobicContact CE1-CD2 3.92Å; Y709-F901 HydrophobicContact CE1-CG 4.13Å; Y709-F901 WeakPolarHBondContact OH-CB 3.44Å; F896-F901 HydrophobicContact CD1-CD2 4.3Å; F896-F901 HydrophobicContact CD1-CE2 4.46Å; F896-F901 HydrophobicContact CD2-CE2 4.41Å; F896-F901 AromaticContact CE1-CD2 3.57Å; F896-F901 HydrophobicContact CE1-CD2 3.57Å; F896-F901 AromaticContact CE1-CE2 3.89Å; F896-F901 HydrophobicContact CE1-CE2 3.89Å; F896-F901 HydrophobicContact CE2-CD2 4.35Å; F896-F901 AromaticContact CE2-CE2 3.83Å; F896-F901 HydrophobicContact CE2-CE2 3.83Å; F896-F901 AromaticContact CZ-CD2 3.59Å; F896-F901 HydrophobicContact CZ-CD2 3.59Å; F896-F901 AromaticContact CZ-CE2 3.53Å; F896-F901 HydrophobicContact CZ-CE2 3.53Å; P897-F901 HydrophobicContact CG-CD1 4.13Å; P897-F901 HydrophobicContact CG-CD2 4.34Å; P897-F901 HydrophobicContact CG-CE1 3.66Å; P897-F901 HydrophobicContact CG-CE2 3.89Å; P897-F901 HydrophobicContact CG-CG 4.45Å; P897-F901 HydrophobicContact CG-CZ 3.52Å; P897-F901 PolarHBondContact O-N 3.48Å; F898-F901 PolarHBondContact O-N 2.83Å; F901-S903 PolarHBondContact O-N 3.05Å; F901-L904 HydrophobicContact CD1-CD1 3.88Å; F901-L904 PolarHBondContact O-N 3.37Å; F901-V910 HydrophobicContact CD1-CB 4.19Å; F901-V910 HydrophobicContact CD1-CG1 4.3Å; F901-V910 HydrophobicContact CE1-CB 3.73Å; F901-V910 HydrophobicContact CE1-CG1 4.3Å; F901-V910 VanDerWaalsContact CE1-O 3.25Å; F901-V910 WeakPolarHBondContact CE1-O 3.33Å; F901-V910 HydrophobicContact CE2-CB 4.35Å; F901-V910 HydrophobicContact CG-CG1 4.41Å; F901-V910 HydrophobicContact CZ-CB 3.82Å; F901-V910 HydrophobicContact CZ-CG1 4.43Å; F901-V913 HydrophobicContact CD1-CG2 3.91Å; F901-V913 HydrophobicContact CE1-CB 4.1Å; F901-V913 HydrophobicContact CE1-CG2 3.89Å; F901-V916 HydrophobicContact CE1-CG1 4.39Å; F901-V916 HydrophobicContact CE1-CG2 3.83Å; F901-V916 HydrophobicContact CZ-CB 4.48Å; F901-V916 HydrophobicContact CZ-CG1 3.9Å; F901-V916 HydrophobicContact CZ-CG2 3.79Å
902	N	90.1	Very high	90.9	Very high	85 Å²	85	59.6 Å²	59.6	46%	0.455	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.8	176.5	-173.3	91.3	0	0	0	112.8	F898 T900	F898-N902 HydrophobicContact CE1-CB 4.47Å; F898-N902 HydrophobicContact CE2-CB 4.04Å; F898-N902 HydrophobicContact CZ-CB 3.98Å; F898-N902 VanDerWaalsContact O-CB 3.29Å; F898-N902 WeakPolarHBondContact O-CB 3.49Å; F898-N902 PolarHBondContact O-N 2.76Å; T900-N902 VanDerWaalsContact C-N 3.34Å; T900-N902 PolarHBondContact O-N 3.38Å
903	S	91.5	Very high	91.2	Very high	92 Å²	92	56.8 Å²	56.8	64%	0.643	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-2.8	174.4	66.9	0	0	0	0	114.9	H899 T900 F901	H899-S903 PolarHBondContact O-N 3.07Å; H899-S903 PolarHBondContact O-OG 3.03Å; T900-S903 PolarHBondContact O-N 2.68Å; T900-S903 PolarHBondContact O-OG 3.28Å; F901-S903 PolarHBondContact O-N 3.05Å
904	L	93.2	Very high	91.5	Very high	37 Å²	37	61.2 Å²	61.2	19%	0.194	35%	0.349	C	S	.	.			trans	-71.2	129.7	179.3	-70.8	175.6	0	0	0	112.3	R713 T900 F901 V910 V913	R713-L904 PolarHBondContact NH2-O 3.04Å; T900-L904 PolarHBondContact O-N 3.24Å; F901-L904 HydrophobicContact CD1-CD1 3.88Å; F901-L904 PolarHBondContact O-N 3.37Å; L904-V910 HydrophobicContact CD1-CG1 4.29Å; L904-V913 HydrophobicContact CD1-CG2 3.96Å; L904-V913 HydrophobicContact CD2-CG2 3.86Å; L904-V913 HydrophobicContact CG-CG2 4.25Å
905	S	93.7	Very high	92	Very high	62 Å²	62	58.4 Å²	58.4	43%	0.434	34%	0.341	S	S	.	.			trans	-58.7	150.7	171.7	68.2	0	0	0	0	111.3	R713 D907 S908	R713-S905 PolarHBondContact NH2-O 3.36Å; S905-D907 WeakPolarHBondContact CB-OD1 3.22Å; S905-D907 PolarHBondContact O-N 3.14Å; S905-D907 PolarHBondContact OG-OD1 3.41Å; S905-S908 PolarHBondContact O-N 3.46Å; S905-S908 PolarHBondContact OG-OG 3.33Å
906	A	92.7	Very high	92.5	Very high	36 Å²	36	51 Å²	51	30%	0.298	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-36.8	-173.9	0	0	0	0	0	113.8	H661 A662 Y717	H661-A906 CarbonylContact C-O 3.43Å; H661-A906 VanDerWaalsContact CA-O 3.23Å; H661-A906 WeakPolarHBondContact CA-O 3.13Å; H661-A906 PolarHBondContact CD2-O 2.97Å; A662-A906 PolarHBondContact N-O 2.95Å; Y717-A906 HydrophobicContact CD2-CB 4.02Å; Y717-A906 HydrophobicContact CE2-CB 3.73Å
907	D	91.2	Very high	92.6	Very high	98 Å²	98	59.8 Å²	59.8	52%	0.524	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-14.5	-177.9	51.9	-13.1	0	0	0	115.5	S905	S905-D907 WeakPolarHBondContact CB-OD1 3.22Å; S905-D907 PolarHBondContact O-N 3.14Å; S905-D907 PolarHBondContact OG-OD1 3.41Å
908	S	95.1	Very high	92.8	Very high	35 Å²	35	60.1 Å²	60.1	25%	0.245	35%	0.346	C	S	.	.	S	Bend	trans	-76.6	142.9	171.8	-64.7	0	0	0	0	112.9	A662 R713 S905	A662-S908 WeakPolarHBondContact CB-O 3.29Å; R713-S908 PolarHBondContact NH1-O 2.89Å; R713-S908 PolarHBondContact NH2-O 2.87Å; S905-S908 PolarHBondContact O-N 3.46Å; S905-S908 PolarHBondContact OG-OG 3.33Å
909	S	95.9	Very high	92.9	Very high	6 Å²	6	60.6 Å²	60.6	4%	0.042	35%	0.354	C	S	.	.			trans	-78.4	150.2	170.4	166.5	0	0	0	0	111.4	R738 D740 F911 D912	R738-S909 PolarHBondContact NH1-OG 3.29Å; D740-S909 VanDerWaalsContact OD1-CB 3.25Å; D740-S909 WeakPolarHBondContact OD1-CB 3.45Å; D740-S909 PolarHBondContact OD1-OG 3.29Å; S909-F911 PolarHBondContact O-N 3Å; S909-F911 PolarHBondContact OG-N 3.17Å; S909-D912 WeakPolarHBondContact CB-OD2 3.37Å; S909-D912 PolarHBondContact N-OD2 3.02Å; S909-D912 WeakPolarHBondContact O-CB 3.44Å; S909-D912 PolarHBondContact O-N 2.88Å; S909-D912 VanDerWaalsContact O-N 3.13Å
910	V	96.3	Very high	92.9	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-63	-24.4	169.8	-61.7	0	0	0	0	112.5	Y709 Q710 F901 L904 D912	Y709-V910 HydrophobicContact CD1-CG1 4.31Å; Y709-V910 HydrophobicContact CE1-CG1 4.42Å; Q710-V910 HydrophobicContact CG-CG1 4.19Å; Q710-V910 HydrophobicContact CG-CG2 3.8Å; F901-V910 HydrophobicContact CD1-CB 4.19Å; F901-V910 HydrophobicContact CD1-CG1 4.3Å; F901-V910 HydrophobicContact CE1-CB 3.73Å; F901-V910 HydrophobicContact CE1-CG1 4.3Å; F901-V910 VanDerWaalsContact CE1-O 3.25Å; F901-V910 WeakPolarHBondContact CE1-O 3.33Å; F901-V910 HydrophobicContact CE2-CB 4.35Å; F901-V910 HydrophobicContact CG-CG1 4.41Å; F901-V910 HydrophobicContact CZ-CB 3.82Å; F901-V910 HydrophobicContact CZ-CG1 4.43Å; L904-V910 HydrophobicContact CD1-CG1 4.29Å; V910-D912 VanDerWaalsContact C-N 3.32Å
911	F	96	Very high	92.8	Very high	15 Å²	15	55 Å²	55	7%	0.066	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-85.9	-0.4	176.9	-59.7	-84.9	0	0	0	113.3	L706 R738 G739 S909 V916 L918	L706-F911 HydrophobicContact CD1-CE1 4.47Å; R738-F911 HydrophobicContact CG-CB 4.23Å; R738-F911 HydrophobicContact CG-CG 4.35Å; R738-F911 VanDerWaalsContact NE-CB 3.35Å; R738-F911 PolarHBondContact NH2-O 3.15Å; G739-F911 WeakPolarHBondContact O-CE2 3.31Å; S909-F911 PolarHBondContact O-N 3Å; S909-F911 PolarHBondContact OG-N 3.17Å; F911-V916 HydrophobicContact CD1-CG1 3.79Å; F911-V916 HydrophobicContact CE1-CG1 4.07Å; F911-V916 HydrophobicContact CG-CG1 4.43Å; F911-L918 HydrophobicContact CE1-CD2 4.33Å; F911-L918 HydrophobicContact CE1-CG 4.18Å; F911-L918 HydrophobicContact CZ-CD2 4.01Å; F911-L918 HydrophobicContact CZ-CG 4.19Å
912	D	94	Very high	92.2	Very high	82 Å²	82	58.1 Å²	58.1	44%	0.439	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-76.5	-16.8	168.4	-58.6	-24.4	0	0	0	111	R738 S909 V910	R738-D912 IonicContact CZ-OD1 3.68Å; R738-D912 VanDerWaalsContact CZ-OD1 3.23Å; R738-D912 IonicContact NH1-OD1 3.86Å; R738-D912 PolarHBondContact NH1-OD1 3.42Å; R738-D912 IonicContact NH2-OD1 2.72Å; R738-D912 PolarHBondContact NH2-OD1 3.15Å; S909-D912 WeakPolarHBondContact CB-OD2 3.37Å; S909-D912 PolarHBondContact N-OD2 3.02Å; S909-D912 WeakPolarHBondContact O-CB 3.44Å; S909-D912 PolarHBondContact O-N 2.88Å; S909-D912 VanDerWaalsContact O-N 3.13Å; V910-D912 VanDerWaalsContact C-N 3.32Å
913	V	93.7	Very high	91.2	Very high	14 Å²	14	54.6 Å²	54.6	9%	0.085	34%	0.337	C	S	.	.	S	Bend	trans	-73	125.2	173.2	177.9	0	0	0	0	110.4	T900 F901 L904 G915 V916	T900-V913 HydrophobicContact CG2-CB 4.48Å; T900-V913 HydrophobicContact CG2-CG1 3.82Å; T900-V913 HydrophobicContact CG2-CG2 3.77Å; F901-V913 HydrophobicContact CD1-CG2 3.91Å; F901-V913 HydrophobicContact CE1-CB 4.1Å; F901-V913 HydrophobicContact CE1-CG2 3.89Å; L904-V913 HydrophobicContact CD1-CG2 3.96Å; L904-V913 HydrophobicContact CD2-CG2 3.86Å; L904-V913 HydrophobicContact CG-CG2 4.25Å; V913-G915 PolarHBondContact O-N 2.89Å; V913-V916 HydrophobicContact CB-CG2 3.88Å; V913-V916 HydrophobicContact CG1-CG2 3.91Å; V913-V916 WeakPolarHBondContact O-CB 3.32Å; V913-V916 PolarHBondContact O-N 2.94Å
914	P	90.4	Very high	90	Very high	125 Å²	125	56 Å²	56	81%	0.812	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	136.5	177.3	-28.5	36.2	0	0	0	113.3	V916	P914-V916 VanDerWaalsContact C-N 3.31Å; P914-V916 PolarHBondContact O-N 3.46Å
915	G	89.9	Confident	88.1	Confident	71 Å²	71	58 Å²	58	73%	0.732	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-20	-179.2	0	0	0	0	0	115.1	V913 R917	V913-G915 PolarHBondContact O-N 2.89Å; G915-R917 PolarHBondContact O-N 2.88Å
916	V	92.8	Very high	85.7	Confident	18 Å²	18	59.3 Å²	59.3	11%	0.109	36%	0.36	C	S	.	.			trans	-76.2	122.4	-179.7	-179.2	0	0	0	0	110.9	L706 P897 F901 F911 V913 P914	L706-V916 HydrophobicContact CD2-CG1 4.2Å; P897-V916 HydrophobicContact CG-CG2 3.75Å; F901-V916 HydrophobicContact CE1-CG1 4.39Å; F901-V916 HydrophobicContact CE1-CG2 3.83Å; F901-V916 HydrophobicContact CZ-CB 4.48Å; F901-V916 HydrophobicContact CZ-CG1 3.9Å; F901-V916 HydrophobicContact CZ-CG2 3.79Å; F911-V916 HydrophobicContact CD1-CG1 3.79Å; F911-V916 HydrophobicContact CE1-CG1 4.07Å; F911-V916 HydrophobicContact CG-CG1 4.43Å; V913-V916 HydrophobicContact CB-CG2 3.88Å; V913-V916 HydrophobicContact CG1-CG2 3.91Å; V913-V916 WeakPolarHBondContact O-CB 3.32Å; V913-V916 PolarHBondContact O-N 2.94Å; P914-V916 VanDerWaalsContact C-N 3.31Å; P914-V916 PolarHBondContact O-N 3.46Å
917	R	93	Very high	83.1	Confident	201 Å²	201	61.3 Å²	61.3	76%	0.758	37%	0.372	S	S	*	.			trans	-148.1	155	178.1	-57.1	-171.3	-174.1	-73	0.1	109.3	G915	G915-R917 PolarHBondContact O-N 2.88Å
918	L	93.3	Very high	80.3	Confident	47 Å²	47	63.5 Å²	63.5	25%	0.246	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-61.9	137.6	167.5	-72.9	178.3	0	0	0	110	N703 F707 F911	N703-L918 HydrophobicContact CB-CD2 4.47Å; F707-L918 HydrophobicContact CE1-CD2 4.05Å; F707-L918 HydrophobicContact CE2-CD2 4.49Å; F707-L918 HydrophobicContact CZ-CD2 3.74Å; F911-L918 HydrophobicContact CE1-CD2 4.33Å; F911-L918 HydrophobicContact CE1-CG 4.18Å; F911-L918 HydrophobicContact CZ-CD2 4.01Å; F911-L918 HydrophobicContact CZ-CG 4.19Å
919	A	92.9	Very high	77.3	Confident	30 Å²	30	66.9 Å²	66.9	25%	0.248	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-72.4	156.5	166.7	0	0	0	0	0	110.3	H700 N703 D921	H700-A919 HydrophobicContact CB-CB 4.08Å; H700-A919 VanDerWaalsContact ND1-CB 3.3Å; H700-A919 WeakPolarHBondContact ND1-CB 3.24Å; N703-A919 PolarHBondContact ND2-O 3.27Å; N703-A919 PolarHBondContact OD1-N 2.84Å; A919-D921 PolarHBondContact O-N 3.31Å
920	C	90.8	Very high	74.2	Confident	91 Å²	91	72.7 Å²	72.7	62%	0.615	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-74.2	116.8	175.6	-164.9	0	0	0	0	110.2	S925	C920-S925 PolarHBondContact SG-OG 2.94Å; C920-S925 VanDerWaalsContact SG-OG 3.39Å
921	D	89.1	Confident	71.1	Confident	5 Å²	5	79.3 Å²	79.3	3%	0.027	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-66.8	125.2	178.2	-66.4	-66.4	0	0	0	111.1	Y691 C695 M699 H700 N703 A919 G923 R924	Y691-D921 WeakPolarHBondContact CE1-OD2 3.08Å; Y691-D921 PolarHBondContact OH-OD2 2.82Å; C695-D921 HydrophobicContact CB-CB 4.2Å; C695-D921 VanDerWaalsContact SG-CB 3.54Å; C695-D921 VanDerWaalsContact SG-CG 3.56Å; M699-D921 WeakPolarHBondContact CA-OD1 3.4Å; M699-D921 WeakPolarHBondContact CG-OD1 3.36Å; H700-D921 PolarHBondContact N-OD1 2.65Å; N703-D921 VanDerWaalsContact ND2-CG 3.27Å; N703-D921 PolarHBondContact ND2-OD1 3.01Å; N703-D921 PolarHBondContact ND2-OD2 3.37Å; N703-D921 VanDerWaalsContact ND2-OD2 3.14Å; A919-D921 PolarHBondContact O-N 3.31Å; D921-G923 VanDerWaalsContact C-N 3.27Å; D921-G923 PolarHBondContact O-N 2.88Å; D921-R924 HydrophobicContact CB-CB 4.22Å; D921-R924 WeakPolarHBondContact O-CB 3.48Å; D921-R924 PolarHBondContact O-N 3.49Å
922	P	80.1	Confident	68	Low	70 Å²	70	89.9 Å²	89.9	46%	0.455	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-54.9	-38.8	-174.6	-29.8	35.4	0	0	0	114.2	I698 R924	I698-P922 HydrophobicContact CG2-CB 4.21Å; I698-P922 HydrophobicContact CG2-CG 4.44Å; P922-R924 PolarHBondContact O-N 3.14Å
923	G	69.5	Low	65.1	Low	10 Å²	10	93.9 Å²	93.9	10%	0.103	53%	0.532	C	S	.	.	G	3₁₀ helix	trans	-69.3	-17.3	178	0	0	0	0	0	114.6	C695 H696 D921	C695-G923 WeakPolarHBondContact O-CA 3.35Å; H696-G923 PolarHBondContact CE1-O 3.03Å; H696-G923 PolarHBondContact ND1-O 2.73Å; D921-G923 VanDerWaalsContact C-N 3.27Å; D921-G923 PolarHBondContact O-N 2.88Å
924	R	66.5	Low	62	Low	123 Å²	123	99 Å²	99	46%	0.464	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-90.2	-17.4	-176.2	-154.1	176	-170.1	-139.5	1	113.4	D921 P922 A926 S927	D921-R924 HydrophobicContact CB-CB 4.22Å; D921-R924 WeakPolarHBondContact O-CB 3.48Å; D921-R924 PolarHBondContact O-N 3.49Å; P922-R924 PolarHBondContact O-N 3.14Å; R924-A926 PolarHBondContact O-N 2.81Å; R924-S927 PolarHBondContact O-OG 2.59Å
925	S	52.6	Low	59.4	Low	77 Å²	77	100 Å²	100	54%	0.538	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.3	-7.6	179.1	-67	0	0	0	0	114.3	C920	C920-S925 PolarHBondContact SG-OG 2.94Å; C920-S925 VanDerWaalsContact SG-OG 3.39Å
926	A	44	Very low	56.6	Low	90 Å²	90	101.4 Å²	101.4	74%	0.744	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-7.2	-173.9	0	0	0	0	0	115	R924	R924-A926 PolarHBondContact O-N 2.81Å
927	S	38	Very low	53.7	Low	79 Å²	79	104.5 Å²	104.5	55%	0.552	59%	0.594	S	S	*	*			trans	-118.7	8.2	-167	54.1	0	0	0	0	115.7	R924 P929	R924-S927 PolarHBondContact O-OG 2.59Å; S927-P929 WeakPolarHBondContact O-CD 3.22Å
928	L	32.8	Very low	50.8	Low	144 Å²	144	106.7 Å²	106.7	75%	0.754	60%	0.604	S	S	*	*			trans	-81.4	116.8	172.8	-87.8	164.1	0	0	0	111.1	T930	L928-T930 PolarHBondContact O-N 3.35Å
929	P	32.5	Very low	47.8	Very low	106 Å²	106	113.2 Å²	113.2	69%	0.688	63%	0.63	S	S	*	*			trans	-69	122.4	171.1	-13.6	29.7	0	0	0	109.4	S927 N931	S927-P929 WeakPolarHBondContact O-CD 3.22Å; P929-N931 PolarHBondContact O-N 3.43Å
930	T	29.4	Very low	44.9	Very low	128 Å²	128	117.3 Å²	117.3	79%	0.785	66%	0.657	S	S	*	*			trans	-77.2	73.4	178.3	55	0	0	0	0	111.3	L928 R932	L928-T930 PolarHBondContact O-N 3.35Å; T930-R932 PolarHBondContact O-N 2.96Å
931	N	32	Very low	41.9	Very low	140 Å²	140	117.6 Å²	117.6	75%	0.749	66%	0.66	S	S	*	*			trans	-70	70	169.2	-88	2.9	0	0	0	111.1	P929 M933	P929-N931 PolarHBondContact O-N 3.43Å; N931-M933 PolarHBondContact O-N 3.02Å
932	R	30.1	Very low	39.4	Very low	237 Å²	237	124.3 Å²	124.3	89%	0.894	70%	0.702	S	S	*	*			trans	-71.4	79.5	155.4	-74.6	-173.3	175.1	-170	-0.4	108.2	T930	T930-R932 PolarHBondContact O-N 2.96Å
933	M	33.8	Very low	37.1	Very low	166 Å²	166	129.1 Å²	129.1	82%	0.818	72%	0.723	S	S	*	*			trans	-81.3	127.2	164.3	-73.8	-164.1	71.8	0	0	109.6	N931	N931-M933 PolarHBondContact O-N 3.02Å
934	S	28.5	Very low	35.3	Very low	122 Å²	122	131.7 Å²	131.7	85%	0.853	75%	0.75	S	S	*	*			trans	-76.7	123.4	-175.4	-51.9	0	0	0	0	111.6
935	T	35.4	Very low	33.7	Very low	144 Å²	144	136.3 Å²	136.3	88%	0.883	77%	0.769	S	S	*	*			trans	-115.4	94.6	160	40.2	0	0	0	0	109.2
936	S	32.2	Very low	32.9	Very low	101 Å²	101	138.6 Å²	138.6	71%	0.706	78%	0.775	S	S	*	*			trans	-76.9	150.1	170.7	179.4	0	0	0	0	110.5
937	S	30.9	Very low	32.4	Very low	84 Å²	84	140.1 Å²	140.1	59%	0.587	77%	0.771	S	S	*	*			trans	47.5	96.6	149.5	56.5	0	0	0	0	118.3
938	Y	32.3	Very low	32.3	Very low	247 Å²	247	142.4 Å²	142.4	97%	0.969	78%	0.777	S	S	*	*				-128.5	135.6	121.2	-97.1	-81.2	0	0	0	109.2
939	F	29.6	Very low	32.4	Very low	184 Å²	184	143 Å²	143	81%	0.807	78%	0.781	S	S	*	*			trans	-125.3	135.8	-169.2	-127.1	-81.8	0	0	0	109
940	S	32.4	Very low	32.2	Very low	115 Å²	115	145.3 Å²	145.3	80%	0.804	79%	0.786	S	S	*	*			trans	154.8	109.1	149	-73.3	0	0	0	0	108.6
941	S	28.2	Very low	32.4	Very low	98 Å²	98	145.3 Å²	145.3	69%	0.685	79%	0.785	S	S	*	*				91.9	91.3	53.9	-69.9	0	0	0	0	113.5
942	T	36	Very low	32.1	Very low	146 Å²	146	149 Å²	149	90%	0.896	79%	0.789	S	S	*	*			trans	-152.6	150.4	143.6	14.1	0	0	0	0	110.3
943	N	33.5	Very low	32.1	Very low	170 Å²	170	143.2 Å²	143.2	91%	0.909	78%	0.783	S	S	*	*			trans	-86.4	161.3	-173.7	-57.8	-48.8	0	0	0	111.5
944	G	30	Very low	32	Very low	65 Å²	65	140 Å²	140	67%	0.67	77%	0.774	S	S	*	*			cis	163	-151.5	-0.7	0	0	0	0	0	112.2
945	Y	33.4	Very low	32	Very low	220 Å²	220	141.9 Å²	141.9	86%	0.863	77%	0.774	S	S	*	*			trans	87.8	112.1	177.5	-75.5	-79.9	0	0	0	120.3
946	N	35.9	Very low	31.9	Very low	124 Å²	124	137 Å²	137	66%	0.663	75%	0.746	S	S	*	*			trans	61.8	110.5	151.6	-64	-20.6	0	0	0	119.9
947	N	34.3	Very low	31.8	Very low	123 Å²	123	139 Å²	139	66%	0.658	74%	0.744	S	S	*	*				76.1	130.9	60	-66.7	-34.7	0	0	0	112.5
948	N	34.7	Very low	31.8	Very low	127 Å²	127	140.5 Å²	140.5	68%	0.679	75%	0.745	S	S	*	*			cis	-160	131.6	-7.1	-109.3	-31.6	0	0	0	110.4
949	N	35.2	Very low	31.5	Very low	157 Å²	157	137.5 Å²	137.5	84%	0.84	74%	0.737	S	S	*	*			trans	-163.8	81	158.8	-114.5	-24.7	0	0	0	112
950	I	29.2	Very low	31.6	Very low	154 Å²	154	134.9 Å²	134.9	79%	0.79	74%	0.735	S	S	*	*			trans	-125.9	111.5	170.3	-64.7	175	0	0	0	107.9
951	V	32.3	Very low	31.3	Very low	127 Å²	127	135.8 Å²	135.8	77%	0.77	73%	0.731	S	S	*	*			trans	-100.2	117.7	177.5	179.6	0	0	0	0	110.2
952	R	27.2	Very low	31.3	Very low	218 Å²	218	136.9 Å²	136.9	82%	0.823	74%	0.736	S	S	*	*			trans	-93.9	133.6	169.1	-65.4	171.9	173.2	160	-4.6	109.9
953	C	30	Very low	31.1	Very low	115 Å²	115	137.6 Å²	137.6	78%	0.777	73%	0.729	S	S	*	*			trans	-134.6	75.7	157.3	-70.4	0	0	0	0	109.2
954	T	31.1	Very low	31.1	Very low	100 Å²	100	137.5 Å²	137.5	61%	0.613	72%	0.722	S	S	*	*				65.1	107.9	92.4	62.8	0	0	0	0	115.4	S956	T954-S956 PolarHBondContact O-N 3.31Å
955	N	27.5	Very low	31.1	Very low	161 Å²	161	145.4 Å²	145.4	86%	0.861	73%	0.732	S	S	*	*			trans	-61.6	126.2	159.4	-84.8	-33.1	0	0	0	110.9	R1095	N955-R1095 PolarHBondContact O-NH2 3.05Å
956	S	34.2	Very low	31.1	Very low	42 Å²	42	141.4 Å²	141.4	29%	0.294	72%	0.721	S	S	.	*			trans	-153.5	81.7	158.9	58.3	0	0	0	0	110.9	T954	T954-S956 PolarHBondContact O-N 3.31Å
957	Q	29.9	Very low	31.2	Very low	142 Å²	142	138.3 Å²	138.3	66%	0.664	71%	0.709	S	S	*	*			trans	32.4	132.8	155	-58.1	-173.1	9.7	0	0	120.1	Y1097	Q957-Y1097 HydrophobicContact CB-CE2 3.53Å; Q957-Y1097 WeakPolarHBondContact CB-OH 3.42Å; Q957-Y1097 WeakPolarHBondContact O-CD2 3.38Å; Q957-Y1097 VanDerWaalsContact O-CE2 3.22Å; Q957-Y1097 WeakPolarHBondContact O-CE2 3.26Å; Q957-Y1097 PolarHBondContact OE1-OH 2.67Å
958	L	30	Very low	31.2	Very low	116 Å²	116	140.1 Å²	140.1	61%	0.607	71%	0.713	S	S	*	*			trans	-136.2	112.6	150.3	-109.4	161.5	0	0	0	109	V960 Y1097	L958-V960 PolarHBondContact O-N 2.6Å; L958-V960 VanDerWaalsContact O-N 3.1Å; L958-Y1097 HydrophobicContact CD2-CD1 3.59Å; L958-Y1097 HydrophobicContact CD2-CE1 3.79Å; L958-Y1097 HydrophobicContact CG-CD1 4.04Å; L958-Y1097 HydrophobicContact CG-CE1 4.18Å
959	K	27.6	Very low	31.3	Very low	184 Å²	184	139 Å²	139	80%	0.8	71%	0.707	S	S	*	*			trans	-60.2	106	172.6	-87.4	177.4	177.3	-179.1	0	110.1	Y1097	K959-Y1097 HydrophobicContact CB-CE1 4.35Å; K959-Y1097 WeakPolarHBondContact CG-OH 3.37Å; K959-Y1097 PolarHBondContact N-OH 2.9Å; K959-Y1097 VanDerWaalsContact N-OH 3.1Å
960	V	30.2	Very low	31.3	Very low	128 Å²	128	136.8 Å²	136.8	78%	0.776	69%	0.691	S	S	*	*			trans	-135.6	141.3	169.2	-174.4	0	0	0	0	108.5	L958	L958-V960 PolarHBondContact O-N 2.6Å; L958-V960 VanDerWaalsContact O-N 3.1Å
961	N	27.5	Very low	31.6	Very low	135 Å²	135	135.1 Å²	135.1	72%	0.722	68%	0.682	S	S	*	*			trans	-61.6	147.2	-164	-82.4	-31.6	0	0	0	115.1	H963	N961-H963 PolarHBondContact O-N 3.38Å
962	P	28.8	Very low	31.8	Very low	120 Å²	120	133 Å²	133	78%	0.779	67%	0.666	S	S	*	*	S	Bend	trans	-76	42.2	176	34.9	-37.8	0	0	0	113.6
963	H	30.9	Very low	32.2	Very low	161 Å²	161	126.3 Å²	126.3	75%	0.745	65%	0.646	S	S	*	*			trans	-127	27.1	-172.3	-85.2	-68.7	0	0	0	115.3	N961	N961-H963 PolarHBondContact O-N 3.38Å
964	H	33	Very low	32.5	Very low	168 Å²	168	125.4 Å²	125.4	78%	0.778	63%	0.633	S	S	*	*			trans	-135.7	24.2	174.5	-99.5	2.9	0	0	0	116.2
965	R	30.4	Very low	32.8	Very low	232 Å²	232	125.4 Å²	125.4	88%	0.875	63%	0.628	S	S	*	*	S	Bend	trans	-94.5	27	170.8	-88.2	-166.2	174.1	-159	-0.4	114.7
966	H	33.6	Very low	33.4	Very low	136 Å²	136	124.5 Å²	124.5	63%	0.63	62%	0.616	S	S	*	*	S	Bend	trans	-120.9	-37	175.9	-83.9	17.9	0	0	0	114.2	Q968 I969 E970	H966-Q968 VanDerWaalsContact C-N 3.34Å; H966-Q968 PolarHBondContact O-N 3.34Å; H966-Q968 VanDerWaalsContact O-N 3.15Å; H966-I969 PolarHBondContact O-N 2.67Å; H966-E970 PolarHBondContact O-N 2.83Å
967	S	37.8	Very low	33.6	Very low	59 Å²	59	129 Å²	129	41%	0.413	63%	0.632	S	S	.	*	H	α-helix	trans	-57.1	-35.9	-173.3	50.8	0	0	0	0	115.5	M971	S967-M971 WeakPolarHBondContact O-CB 3.41Å; S967-M971 PolarHBondContact O-N 3.35Å
968	Q	35	Very low	34	Very low	160 Å²	160	130.9 Å²	130.9	75%	0.748	63%	0.633	S	S	*	*	H	α-helix	trans	-78.1	-23.4	175.8	-69.9	-173.8	-5.3	0	0	113.9	H966 N972	H966-Q968 VanDerWaalsContact C-N 3.34Å; H966-Q968 PolarHBondContact O-N 3.34Å; H966-Q968 VanDerWaalsContact O-N 3.15Å; Q968-N972 PolarHBondContact O-ND2 3.1Å
969	I	37.1	Very low	34.7	Very low	105 Å²	105	129.6 Å²	129.6	54%	0.538	63%	0.627	S	S	.	*	H	α-helix	trans	-83.9	-40.3	175.8	-63.9	174.8	0	0	0	109.2	H966 N972 N973	H966-I969 PolarHBondContact O-N 2.67Å; I969-N972 PolarHBondContact O-N 2.78Å; I969-N973 PolarHBondContact O-N 3.33Å
970	E	34.6	Very low	35.2	Very low	109 Å²	109	125.7 Å²	125.7	51%	0.509	62%	0.615	S	S	.	*	H	α-helix	trans	-60.9	-43.1	171.7	-72.8	179.9	113.1	0	0	112.1	H966 N972 N973 L974	H966-E970 PolarHBondContact O-N 2.83Å; E970-N972 PolarHBondContact O-N 3.17Å; E970-N973 PolarHBondContact O-N 3.31Å; E970-L974 VanDerWaalsContact O-CB 3.26Å; E970-L974 WeakPolarHBondContact O-CB 3.16Å; E970-L974 WeakPolarHBondContact O-CG 3.37Å; E970-L974 PolarHBondContact O-N 3.36Å
971	M	35.5	Very low	35.5	Very low	120 Å²	120	124.8 Å²	124.8	59%	0.591	60%	0.602	S	S	*	*	H	α-helix	trans	-64.4	-38.9	179	-158.8	-171.9	-69.2	0	0	112.5	S967 L974 M975	S967-M971 WeakPolarHBondContact O-CB 3.41Å; S967-M971 PolarHBondContact O-N 3.35Å; M971-L974 PolarHBondContact O-N 3.11Å; M971-M975 HydrophobicContact CG-CE 4.39Å; M971-M975 PolarHBondContact O-N 2.93Å; M971-M975 HydrophobicContact SD-CE 4.25Å
972	N	36.9	Very low	36.1	Very low	81 Å²	81	122.1 Å²	122.1	43%	0.433	59%	0.588	S	S	.	*	H	α-helix	trans	-65.7	-36.1	174.8	-82	-58.4	0	0	0	112.6	Q968 I969 E970 K976	Q968-N972 PolarHBondContact O-ND2 3.1Å; I969-N972 PolarHBondContact O-N 2.78Å; E970-N972 PolarHBondContact O-N 3.17Å; N972-K976 WeakPolarHBondContact O-CG 3.46Å; N972-K976 PolarHBondContact O-N 3.25Å
973	N	35.9	Very low	36.5	Very low	79 Å²	79	123.7 Å²	123.7	42%	0.422	58%	0.579	S	S	.	*	H	α-helix	trans	-76.2	-35.7	175.3	-69.3	-17.5	0	0	0	111.9	I969 E970 K976 H977	I969-N973 PolarHBondContact O-N 3.33Å; E970-N973 PolarHBondContact O-N 3.31Å; N973-K976 PolarHBondContact O-N 3.1Å; N973-H977 WeakPolarHBondContact O-CB 3.22Å; N973-H977 PolarHBondContact O-CD2 2.69Å; N973-H977 PolarHBondContact O-N 2.77Å
974	L	34.7	Very low	36.6	Very low	96 Å²	96	123.4 Å²	123.4	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-66.4	-37.9	176.1	-83.9	160.9	0	0	0	112.4	E970 M971 R978	E970-L974 VanDerWaalsContact O-CB 3.26Å; E970-L974 WeakPolarHBondContact O-CB 3.16Å; E970-L974 WeakPolarHBondContact O-CG 3.37Å; E970-L974 PolarHBondContact O-N 3.36Å; M971-L974 PolarHBondContact O-N 3.11Å; L974-R978 VanDerWaalsContact O-CB 3.26Å; L974-R978 WeakPolarHBondContact O-CB 3.49Å; L974-R978 WeakPolarHBondContact O-CG 3.47Å; L974-R978 PolarHBondContact O-N 2.81Å
975	M	38.8	Very low	36.5	Very low	100 Å²	100	121.8 Å²	121.8	49%	0.493	56%	0.56	S	S	.	*	H	α-helix	trans	-65.6	-44.9	171.4	-71.4	-168.5	-173.7	0	0	111.5	M971 H977 N979	M971-M975 HydrophobicContact CG-CE 4.39Å; M971-M975 PolarHBondContact O-N 2.93Å; M971-M975 HydrophobicContact SD-CE 4.25Å; M975-H977 PolarHBondContact O-N 3.04Å; M975-N979 WeakPolarHBondContact O-CB 3.41Å; M975-N979 VanDerWaalsContact O-CG 3.26Å; M975-N979 PolarHBondContact O-N 3.4Å; M975-N979 PolarHBondContact O-OD1 3.4Å
976	K	39.5	Very low	36.9	Very low	142 Å²	142	115.7 Å²	115.7	62%	0.617	54%	0.544	S	S	*	.	H	α-helix	trans	-61.2	-41.5	176.6	-74	177.5	178.3	-176.6	0	112.6	N972 N973 N980	N972-K976 WeakPolarHBondContact O-CG 3.46Å; N972-K976 PolarHBondContact O-N 3.25Å; N973-K976 PolarHBondContact O-N 3.1Å; K976-N980 WeakPolarHBondContact O-CB 3.49Å; K976-N980 PolarHBondContact O-N 3.15Å
977	H	37.7	Very low	37	Very low	137 Å²	137	115.4 Å²	115.4	63%	0.634	54%	0.543	S	S	*	.	H	α-helix	trans	-82.9	-28	-178.7	-76.8	-68.4	0	0	0	114.7	N973 M975	N973-H977 WeakPolarHBondContact O-CB 3.22Å; N973-H977 PolarHBondContact O-CD2 2.69Å; N973-H977 PolarHBondContact O-N 2.77Å; M975-H977 PolarHBondContact O-N 3.04Å
978	R	39.6	Very low	36.7	Very low	180 Å²	180	120.2 Å²	120.2	68%	0.679	56%	0.561	S	S	*	*	H	α-helix	trans	-70.9	-50.5	170.6	-78.4	-177	165.6	-176.5	-5.3	111.2	L974 N980 H981 D982	L974-R978 VanDerWaalsContact O-CB 3.26Å; L974-R978 WeakPolarHBondContact O-CB 3.49Å; L974-R978 WeakPolarHBondContact O-CG 3.47Å; L974-R978 PolarHBondContact O-N 2.81Å; R978-N980 PolarHBondContact O-N 2.84Å; R978-H981 WeakPolarHBondContact O-CA 3.39Å; R978-H981 WeakPolarHBondContact O-CB 3.49Å; R978-H981 PolarHBondContact O-N 2.87Å; R978-D982 PolarHBondContact O-N 3.04Å
979	N	44.6	Very low	36.5	Very low	90 Å²	90	116.1 Å²	116.1	48%	0.481	55%	0.55	S	S	.	*	H	α-helix	trans	-72.1	-33.8	-170.8	-61.4	12.7	0	0	0	112.7	M975 H981 D982 Y983	M975-N979 WeakPolarHBondContact O-CB 3.41Å; M975-N979 VanDerWaalsContact O-CG 3.26Å; M975-N979 PolarHBondContact O-N 3.4Å; M975-N979 PolarHBondContact O-OD1 3.4Å; N979-H981 PolarHBondContact O-N 2.96Å; N979-D982 PolarHBondContact O-N 3.2Å; N979-Y983 PolarHBondContact O-N 3.42Å
980	N	36.5	Very low	36.3	Very low	101 Å²	101	114.2 Å²	114.2	54%	0.54	56%	0.557	S	S	.	*	H	α-helix	trans	-61.4	-30.7	168.7	-86	-1.2	0	0	0	112.2	K976 R978 D982 Y983 Y984	K976-N980 WeakPolarHBondContact O-CB 3.49Å; K976-N980 PolarHBondContact O-N 3.15Å; R978-N980 PolarHBondContact O-N 2.84Å; N980-D982 VanDerWaalsContact C-N 3.28Å; N980-D982 PolarHBondContact O-N 2.99Å; N980-Y983 PolarHBondContact O-N 2.75Å; N980-Y984 PolarHBondContact O-N 3.21Å
981	H	36.5	Very low	36.1	Very low	109 Å²	109	116.8 Å²	116.8	51%	0.505	57%	0.573	S	S	.	*	H	α-helix	trans	-69.3	-29.6	-178.7	-140.1	-40.5	0	0	0	112.3	R978 N979 R985	R978-H981 WeakPolarHBondContact O-CA 3.39Å; R978-H981 WeakPolarHBondContact O-CB 3.49Å; R978-H981 PolarHBondContact O-N 2.87Å; N979-H981 PolarHBondContact O-N 2.96Å; H981-R985 WeakPolarHBondContact O-CB 3.46Å; H981-R985 PolarHBondContact O-N 2.85Å
982	D	41.4	Very low	35.7	Very low	80 Å²	80	115.5 Å²	115.5	43%	0.428	58%	0.576	S	S	.	*	H	α-helix	trans	-81.8	-30.2	178.2	-64.2	-30.8	0	0	0	112.5	R978 N979 N980 R985 N986	R978-D982 PolarHBondContact O-N 3.04Å; N979-D982 PolarHBondContact O-N 3.2Å; N980-D982 VanDerWaalsContact C-N 3.28Å; N980-D982 PolarHBondContact O-N 2.99Å; D982-R985 IonicContact OD1-NH1 3.79Å; D982-N986 WeakPolarHBondContact O-CB 3.38Å; D982-N986 PolarHBondContact O-N 3.32Å; D982-N986 PolarHBondContact O-ND2 3.22Å
983	Y	35.6	Very low	35.3	Very low	153 Å²	153	119 Å²	119	60%	0.6	60%	0.595	S	S	*	*	H	α-helix	trans	-61	-46.4	171.1	-170	-100.2	0	0	0	111.5	N979 N980	N979-Y983 PolarHBondContact O-N 3.42Å; N980-Y983 PolarHBondContact O-N 2.75Å
984	Y	33.1	Very low	35	Very low	155 Å²	155	121.6 Å²	121.6	61%	0.608	62%	0.617	S	S	*	*	H	α-helix	trans	-79.6	-31.8	177.6	-76.9	-79.8	0	0	0	113.9	N980 Q987 M988	N980-Y984 PolarHBondContact O-N 3.21Å; Y984-Q987 PolarHBondContact O-N 2.87Å; Y984-M988 PolarHBondContact O-N 3.39Å
985	R	31.8	Very low	34.6	Very low	134 Å²	134	124.1 Å²	124.1	51%	0.506	63%	0.632	S	S	.	*	H	α-helix	trans	-66.1	-40.2	176.1	178.3	174.5	-80.3	115.2	-0.9	111.8	H981 D982 Q987 M988 S989	H981-R985 WeakPolarHBondContact O-CB 3.46Å; H981-R985 PolarHBondContact O-N 2.85Å; D982-R985 IonicContact OD1-NH1 3.79Å; R985-Q987 VanDerWaalsContact C-N 3.3Å; R985-Q987 PolarHBondContact O-N 3.32Å; R985-M988 PolarHBondContact O-N 3.04Å; R985-M988 VanDerWaalsContact O-N 3.14Å; R985-S989 PolarHBondContact O-N 3.33Å; R985-S989 PolarHBondContact O-OG 3.44Å
986	N	37.9	Very low	34.1	Very low	103 Å²	103	126.9 Å²	126.9	55%	0.551	65%	0.648	S	S	*	*	H	α-helix	trans	-67.8	-27	178.3	-77.9	-71.5	0	0	0	113.4	D982 S989	D982-N986 WeakPolarHBondContact O-CB 3.38Å; D982-N986 PolarHBondContact O-N 3.32Å; D982-N986 PolarHBondContact O-ND2 3.22Å; N986-S989 WeakPolarHBondContact CA-OG 3.26Å; N986-S989 PolarHBondContact O-OG 3.43Å
987	Q	35.8	Very low	33.7	Very low	130 Å²	130	127 Å²	127	61%	0.607	66%	0.661	S	S	*	*	H	α-helix	trans	-77.7	-21.2	171.6	-68.7	-167.2	28.3	0	0	113.6	Y984 R985	Y984-Q987 PolarHBondContact O-N 2.87Å; R985-Q987 VanDerWaalsContact C-N 3.3Å; R985-Q987 PolarHBondContact O-N 3.32Å
988	M	31.2	Very low	33.1	Very low	160 Å²	160	129.4 Å²	129.4	79%	0.788	67%	0.669	S	S	*	*	H	α-helix	trans	-96	-14.6	176.4	-74	-167.5	166.3	0	0	114.4	Y984 R985 G990	Y984-M988 PolarHBondContact O-N 3.39Å; R985-M988 PolarHBondContact O-N 3.04Å; R985-M988 VanDerWaalsContact O-N 3.14Å; M988-G990 PolarHBondContact O-N 3.45Å
989	S	32.6	Very low	32.5	Very low	74 Å²	74	128.6 Å²	128.6	52%	0.517	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.9	10.6	179.3	56.8	0	0	0	0	115.2	R985 N986	R985-S989 PolarHBondContact O-N 3.33Å; R985-S989 PolarHBondContact O-OG 3.44Å; N986-S989 WeakPolarHBondContact CA-OG 3.26Å; N986-S989 PolarHBondContact O-OG 3.43Å
990	G	32.5	Very low	31.7	Very low	66 Å²	66	133.5 Å²	133.5	68%	0.68	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-3.2	177.9	0	0	0	0	0	115.6	M988	M988-G990 PolarHBondContact O-N 3.45Å
991	L	28.9	Very low	31.3	Very low	162 Å²	162	133.4 Å²	133.4	85%	0.848	71%	0.706	S	S	*	*			trans	-122	55.8	-166.4	-69	172.6	0	0	0	113.3
992	S	27.6	Very low	31	Very low	94 Å²	94	133.1 Å²	133.1	66%	0.657	72%	0.716	S	S	*	*			trans	-152.3	59.8	179.4	67.4	0	0	0	0	115.6
993	N	28.6	Very low	30.5	Very low	154 Å²	154	138.2 Å²	138.2	82%	0.824	74%	0.737	S	S	*	*			trans	171.5	106.5	138.5	-92.8	-25.6	0	0	0	112.2
994	C	30	Very low	30	Very low	133 Å²	133	139.5 Å²	139.5	90%	0.899	75%	0.746	S	S	*	*			trans	-163.6	72.1	152.5	-120.7	0	0	0	0	110.6	N996	C994-N996 PolarHBondContact O-N 2.95Å
995	N	27.1	Very low	29.7	Very low	150 Å²	150	140 Å²	140	80%	0.802	75%	0.754	S	S	*	*			trans	-73.9	105.6	170	-78.6	-37.9	0	0	0	109.5
996	N	27.9	Very low	29.4	Very low	158 Å²	158	138.3 Å²	138.3	85%	0.845	76%	0.762	S	S	*	*			trans	173.8	110.9	140.8	-92.2	-35.1	0	0	0	112.7	C994	C994-N996 PolarHBondContact O-N 2.95Å
997	V	31.1	Very low	28.9	Very low	145 Å²	145	144.1 Å²	144.1	88%	0.879	78%	0.778	S	S	*	*				178.1	151.3	127.1	149.4	0	0	0	0	107.5
998	K	25.8	Very low	28.5	Very low	186 Å²	186	144.2 Å²	144.2	81%	0.809	79%	0.788	S	S	*	*			trans	-107.3	163.7	-170.7	-67.4	178.6	178.8	174.8	0	112.7
999	M	25.3	Very low	28.4	Very low	164 Å²	164	145.5 Å²	145.5	81%	0.808	79%	0.789	S	S	*	*			trans	77.4	144.3	166.1	-56.2	-155.1	-177.8	0	0	115.5
1000	K	29	Very low	28.3	Very low	192 Å²	192	148.3 Å²	148.3	84%	0.835	80%	0.798	S	S	*	*			cis	-144	152.9	4.4	-131.3	164.2	-170.7	178.5	0	109.7
1001	A	26.9	Very low	28.3	Very low	100 Å²	100	152.1 Å²	152.1	83%	0.826	80%	0.802	S	S	*	*			trans	-126.8	144.4	175.9	0	0	0	0	0	110.7
1002	S	30.4	Very low	28.4	Very low	102 Å²	102	151 Å²	151	71%	0.713	80%	0.796	S	S	*	*			trans	-160.8	124.1	175.7	51	0	0	0	0	112.3
1003	Q	32.1	Very low	28.6	Very low	187 Å²	187	151.7 Å²	151.7	87%	0.874	80%	0.797	S	S	*	*			trans	56.9	106.4	146.7	-62.7	162.9	0.4	0	0	116.8
1004	F	24.9	Very low	28.7	Very low	180 Å²	180	150.4 Å²	150.4	79%	0.789	80%	0.795	S	S	*	*			cis	82.4	120.2	27.8	-143.6	-93.3	0	0	0	114.7
1005	Q	25.7	Very low	28.5	Very low	167 Å²	167	150.4 Å²	150.4	78%	0.78	79%	0.791	S	S	*	*			trans	67.3	142.8	-175.1	-61.4	163	4	0	0	113.7
1006	S	25.3	Very low	28.7	Very low	97 Å²	97	150 Å²	150	68%	0.678	79%	0.794	S	S	*	*			cis	-154.8	-174.2	36.1	-61.3	0	0	0	0	113.9
1007	Y	27.2	Very low	28.7	Very low	225 Å²	225	148 Å²	148	88%	0.882	79%	0.787	S	S	*	*			trans	83.6	91.8	165	-68.1	-77.5	0	0	0	120.5
1008	T	27.6	Very low	28.7	Very low	132 Å²	132	148.4 Å²	148.4	81%	0.81	79%	0.785	S	S	*	*			trans	-106.4	155.2	141.3	52.6	0	0	0	0	109.7
1009	K	29.9	Very low	28.9	Very low	188 Å²	188	146.1 Å²	146.1	82%	0.817	78%	0.781	S	S	*	*			trans	133.1	145.9	173.1	-82.7	178.1	176.7	178.3	0	110
1010	N	29.6	Very low	29.2	Very low	133 Å²	133	145 Å²	145	71%	0.711	78%	0.779	S	S	*	*			cis	-159.5	-173.4	-2.4	-126.1	2.1	0	0	0	110.5
1011	I	32.8	Very low	29.3	Very low	146 Å²	146	142.4 Å²	142.4	75%	0.749	77%	0.774	S	S	*	*			trans	75.8	120.1	168.8	-48.3	-179.6	0	0	0	113.1
1012	N	32.3	Very low	29.5	Very low	138 Å²	138	142.2 Å²	142.2	74%	0.738	77%	0.767	S	S	*	*			cis	-163.4	174.2	-9.1	-110.5	-2.6	0	0	0	107.4
1013	T	30.8	Very low	29.5	Very low	108 Å²	108	144.8 Å²	144.8	66%	0.663	77%	0.772	S	S	*	*			cis	-150.5	163.5	7.6	-15	0	0	0	0	111.4
1014	T	31	Very low	29.4	Very low	128 Å²	128	140.2 Å²	140.2	79%	0.785	76%	0.761	S	S	*	*			trans	12.4	117.7	154.2	50	0	0	0	0	122.3
1015	T	25	Very low	29.7	Very low	132 Å²	132	137.7 Å²	137.7	81%	0.81	76%	0.756	S	S	*	*			trans	-87.1	144.7	147.2	50.1	0	0	0	0	112.1
1016	T	31.6	Very low	30	Very low	141 Å²	141	135.4 Å²	135.4	87%	0.865	75%	0.749	S	S	*	*			trans	-158.8	143	139.1	8.6	0	0	0	0	114.4
1017	T	28.1	Very low	30.2	Very low	116 Å²	116	137 Å²	137	71%	0.712	75%	0.75	S	S	*	*			trans	-59	147	174.6	47.5	0	0	0	0	116
1018	N	32.3	Very low	30.4	Very low	155 Å²	155	132.3 Å²	132.3	83%	0.829	74%	0.74	S	S	*	*				-170.3	163.5	108	-103.5	-27.2	0	0	0	114.9
1019	N	29.2	Very low	30.5	Very low	137 Å²	137	131.6 Å²	131.6	73%	0.733	74%	0.736	S	S	*	*			trans	-89	148.3	-177.4	-57.6	-38.4	0	0	0	112.8
1020	N	31.6	Very low	30.5	Very low	142 Å²	142	128.9 Å²	128.9	76%	0.759	73%	0.73	S	S	*	*				154	149.8	112.8	-82.7	-37.6	0	0	0	114.7
1021	N	31.8	Very low	30.6	Very low	137 Å²	137	127.1 Å²	127.1	73%	0.733	72%	0.724	S	S	*	*			trans	61	103.9	148.3	-69	-2.4	0	0	0	121.9
1022	S	30.5	Very low	30.6	Very low	96 Å²	96	126.8 Å²	126.8	67%	0.671	72%	0.724	S	S	*	*				82.5	127.5	110.3	-56.3	0	0	0	0	121.7
1023	N	29.9	Very low	30.6	Very low	155 Å²	155	126.7 Å²	126.7	83%	0.829	72%	0.723	S	S	*	*			trans	71.3	108.9	138.9	-77	5.7	0	0	0	120.9
1024	S	31	Very low	30.7	Very low	91 Å²	91	127.8 Å²	127.8	64%	0.636	73%	0.725	S	S	*	*				104.1	117.6	102.9	-174.5	0	0	0	0	119
1025	N	30.9	Very low	30.8	Very low	128 Å²	128	129.1 Å²	129.1	68%	0.684	73%	0.728	S	S	*	*			trans	75.9	116.4	141.7	-70.5	2	0	0	0	121.9
1026	N	31.1	Very low	31.2	Very low	119 Å²	119	127.4 Å²	127.4	64%	0.636	72%	0.721	S	S	*	*				83.2	127.2	119	-66.5	2.1	0	0	0	121.4
1027	N	31.2	Very low	31.2	Very low	131 Å²	131	127.4 Å²	127.4	70%	0.701	72%	0.716	S	S	*	*			trans	70.1	150.3	136.8	-58.5	3.2	0	0	0	117
1028	N	29.8	Very low	31.4	Very low	125 Å²	125	127.6 Å²	127.6	67%	0.668	71%	0.713	S	S	*	*			cis	-166.6	168.3	-13	-116.6	2.2	0	0	0	108.1
1029	T	30.2	Very low	31.5	Very low	117 Å²	117	126 Å²	126	72%	0.718	70%	0.704	S	S	*	*			trans	60.9	172.6	153.9	51.5	0	0	0	0	116.9
1030	D	30.2	Very low	31.5	Very low	132 Å²	132	125.6 Å²	125.6	71%	0.706	70%	0.702	S	S	*	*			cis	-166.7	163.6	-34.1	-93.6	-2.3	0	0	0	107
1031	T	31.4	Very low	31.4	Very low	95 Å²	95	125.4 Å²	125.4	58%	0.583	70%	0.701	S	S	*	*			cis	-162.3	168.5	-18.6	33	0	0	0	0	108.4
1032	N	32.1	Very low	31.5	Very low	140 Å²	140	127.9 Å²	127.9	75%	0.749	71%	0.708	S	S	*	*			trans	71.4	163	161.5	-51.6	-39.9	0	0	0	116.5
1033	N	33.2	Very low	31.3	Very low	135 Å²	135	132.8 Å²	132.8	72%	0.722	72%	0.717	S	S	*	*			cis	-146.8	169.5	2.4	-142.7	-17.4	0	0	0	113.9
1034	N	32.1	Very low	31.2	Very low	132 Å²	132	134.7 Å²	134.7	71%	0.706	72%	0.718	S	S	*	*			trans	-60.2	153.7	-171.7	-50.7	-49.8	0	0	0	117.6
1035	N	33	Very low	31.3	Very low	156 Å²	156	134.4 Å²	134.4	83%	0.834	71%	0.714	S	S	*	*				-176.6	153.9	101.7	-107	-20.8	0	0	0	118.4
1036	S	34	Very low	31.1	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	72%	0.721	S	S	*	*			trans	64	90.9	149	-61.5	0	0	0	0	124
1037	N	31.5	Very low	31.1	Very low	140 Å²	140	142.2 Å²	142.2	75%	0.749	73%	0.732	S	S	*	*				58.2	120.7	107.3	-72.2	6.5	0	0	0	124.4
1038	N	33.3	Very low	30.9	Very low	121 Å²	121	144.7 Å²	144.7	65%	0.647	74%	0.739	S	S	*	*				116.8	117.7	116.6	-80.3	2.6	0	0	0	121.4
1039	N	33.3	Very low	30.7	Very low	121 Å²	121	144.6 Å²	144.6	65%	0.647	75%	0.747	S	S	*	*			trans	67.6	141.9	136.4	-57.3	-14.8	0	0	0	120.2
1040	N	29.8	Very low	30.5	Very low	129 Å²	129	148.4 Å²	148.4	69%	0.69	76%	0.757	S	S	*	*			cis	-164.5	176	-16.2	-111	-21.1	0	0	0	110.7
1041	N	29.5	Very low	30.4	Very low	138 Å²	138	149.8 Å²	149.8	74%	0.738	76%	0.762	S	S	*	*			trans	77.7	96.2	165.1	-54.1	-22.9	0	0	0	119.2
1042	H	33.1	Very low	30.2	Very low	189 Å²	189	149.9 Å²	149.9	88%	0.875	77%	0.767	S	S	*	*				-167.3	165.5	99	-109.2	-77.4	0	0	0	112.6
1043	F	26.1	Very low	30.1	Very low	198 Å²	198	150.3 Å²	150.3	87%	0.868	77%	0.769	S	S	*	*			trans	-79.3	132.3	-160	-102.8	-113	0	0	0	116.7
1044	F	28.5	Very low	30.1	Very low	195 Å²	195	151.7 Å²	151.7	86%	0.855	78%	0.775	S	S	*	*			trans	-151.8	177.8	158	-101.5	-66.6	0	0	0	104.6
1045	P	33.8	Very low	30.4	Very low	85 Å²	85	150.8 Å²	150.8	55%	0.552	78%	0.777	S	S	*	*			cis	-152.4	-164.7	34.3	41.6	-16.9	0	0	0	116.9	Y1047	P1045-Y1047 HydrophobicContact CG-CD2 4.06Å; P1045-Y1047 HydrophobicContact CG-CE2 3.44Å; P1045-Y1047 VanDerWaalsContact CG-CE2 3.44Å
1046	K	26.8	Very low	30.6	Very low	191 Å²	191	149.2 Å²	149.2	83%	0.83	78%	0.775	S	S	*	*			trans	-64.5	159	156.3	-45.5	160.4	-176.8	171.4	0	110
1047	Y	30.7	Very low	30.6	Very low	221 Å²	221	148.9 Å²	148.9	87%	0.867	78%	0.778	S	S	*	*			trans	-133.1	149.7	149.4	-89	-69.5	0	0	0	113.8	P1045	P1045-Y1047 HydrophobicContact CG-CD2 4.06Å; P1045-Y1047 HydrophobicContact CG-CE2 3.44Å; P1045-Y1047 VanDerWaalsContact CG-CE2 3.44Å
1048	H	26.4	Very low	31.1	Very low	183 Å²	183	148 Å²	148	85%	0.847	78%	0.781	S	S	*	*			trans	-95.4	175.4	177.7	-142.4	-112.4	0	0	0	109.5	E1050	H1048-E1050 PolarHBondContact O-N 3.45Å
1049	C	25.6	Very low	31.4	Very low	123 Å²	123	146.5 Å²	146.5	83%	0.831	78%	0.777	S	S	*	*			trans	-71.4	128.8	170.6	-65.1	0	0	0	0	110.7
1050	E	26.7	Very low	31.1	Very low	197 Å²	197	146.8 Å²	146.8	92%	0.921	79%	0.786	S	S	*	*			trans	-145.5	160.5	158.8	-132.8	160.7	-134	0	0	109.4	H1048	H1048-E1050 PolarHBondContact O-N 3.45Å
1051	I	26.6	Very low	31.3	Very low	160 Å²	160	148.8 Å²	148.8	82%	0.821	79%	0.791	S	S	*	*			trans	-112	150	-163	-66.7	170.4	0	0	0	110.3
1052	S	28	Very low	31.2	Very low	98 Å²	98	150.4 Å²	150.4	69%	0.685	79%	0.794	S	S	*	*			trans	76.2	144.3	178.8	87.8	0	0	0	0	114.3
1053	N	29.4	Very low	31.1	Very low	149 Å²	149	146.4 Å²	146.4	80%	0.797	79%	0.787	S	S	*	*			cis	-130	138.7	-2.8	-72.9	-78.1	0	0	0	110
1054	L	34	Very low	31.1	Very low	163 Å²	163	144.3 Å²	144.3	85%	0.853	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-93.1	144.2	161	-97.1	79.1	0	0	0	109.6
1055	P	39	Very low	31.1	Very low	113 Å²	113	140.3 Å²	140.3	73%	0.734	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-64.6	146	161.4	30.2	-33.6	0	0	0	109.8
1056	P	37.3	Very low	30.9	Very low	123 Å²	123	140.6 Å²	140.6	80%	0.799	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-69.4	140.9	-174.3	28.1	-34.9	0	0	0	112.1
1057	A	33.9	Very low	31.2	Very low	89 Å²	89	139.1 Å²	139.1	74%	0.736	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-66.3	143.1	165.8	0	0	0	0	0	110.1
1058	P	41.7	Very low	31.3	Very low	123 Å²	123	134.2 Å²	134.2	80%	0.799	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-64.5	141.4	179.2	26.5	-34.1	0	0	0	111.3
1059	P	38.4	Very low	31.4	Very low	88 Å²	88	133.8 Å²	133.8	57%	0.571	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-75.2	154.6	-173.9	30	-35.1	0	0	0	113	H1061	P1059-H1061 PolarHBondContact O-N 3.34Å
1060	P	28.9	Very low	31.6	Very low	128 Å²	128	133.7 Å²	133.7	83%	0.831	78%	0.783	S	S	*	*			trans	-74.8	90.7	177.5	31.4	-34.7	0	0	0	111	Q1062	P1060-Q1062 PolarHBondContact O-N 3.45Å
1061	H	33.4	Very low	31.8	Very low	171 Å²	171	128.4 Å²	128.4	79%	0.792	77%	0.773	S	S	*	*			trans	-73.1	119	175.6	-91.4	-80.5	0	0	0	112.3	P1059	P1059-H1061 PolarHBondContact O-N 3.34Å
1062	Q	27.2	Very low	31.8	Very low	172 Å²	172	128.1 Å²	128.1	80%	0.804	77%	0.772	S	S	*	*			trans	-84.3	125.7	172	-64	175	-12.5	0	0	110.7	P1060	P1060-Q1062 PolarHBondContact O-N 3.45Å
1063	S	29.8	Very low	31.9	Very low	104 Å²	104	130.8 Å²	130.8	73%	0.727	77%	0.773	S	S	*	*			trans	-159.8	91.7	161.6	53.6	0	0	0	0	106.7
1064	I	26.1	Very low	31.8	Very low	154 Å²	154	128.9 Å²	128.9	79%	0.79	77%	0.767	S	S	*	*				55.3	79.5	74.5	-51.7	-178.4	0	0	0	111.7
1065	S	30	Very low	31.5	Very low	112 Å²	112	129.8 Å²	129.8	78%	0.783	76%	0.76	S	S	*	*			trans	169.3	150.3	142.3	40.9	0	0	0	0	110
1066	S	29	Very low	31.2	Very low	90 Å²	90	132.5 Å²	132.5	63%	0.629	76%	0.761	S	S	*	*			cis	-170.7	147.7	-34.6	46	0	0	0	0	109
1067	N	32.2	Very low	30.6	Very low	160 Å²	160	132.8 Å²	132.8	86%	0.856	76%	0.756	S	S	*	*			trans	75.9	149.9	172.9	-43.2	-41	0	0	0	115.2
1068	S	33.1	Very low	30.3	Very low	118 Å²	118	134.7 Å²	134.7	83%	0.825	75%	0.754	S	S	*	*			cis	-124.5	172.1	5.4	60.2	0	0	0	0	113.6
1069	M	29.1	Very low	29.7	Very low	174 Å²	174	134.1 Å²	134.1	86%	0.857	75%	0.748	S	S	*	*			trans	-128.1	-178.1	-171.6	-73.1	-156.2	-53.9	0	0	113.3
1070	C	29.8	Very low	29.1	Very low	122 Å²	122	136.6 Å²	136.6	82%	0.824	76%	0.761	S	S	*	*			trans	91.2	144.7	159.8	-59.8	0	0	0	0	116.1
1071	A	31.5	Very low	29.3	Very low	86 Å²	86	133.9 Å²	133.9	71%	0.711	76%	0.757	S	S	*	*			cis	-150.6	145.4	-5.4	0	0	0	0	0	108.2
1072	L	26.3	Very low	29	Very low	154 Å²	154	133 Å²	133	81%	0.806	76%	0.758	S	S	*	*				75.9	156.2	67.5	-97.6	176.3	0	0	0	116.5
1073	Q	29.9	Very low	29.2	Very low	153 Å²	153	129.4 Å²	129.4	72%	0.715	75%	0.748	S	S	*	*			trans	73.3	121.7	-170.2	-97.5	67.8	-10.3	0	0	115.8
1074	V	27.1	Very low	29.3	Very low	110 Å²	110	130.9 Å²	130.9	67%	0.667	75%	0.748	S	S	*	*			cis	91.9	142.8	20.4	-172.2	0	0	0	0	115.1
1075	Y	28.3	Very low	29.7	Very low	182 Å²	182	129 Å²	129	71%	0.714	74%	0.739	S	S	*	*			trans	89	148.5	177.2	-64.9	-72.3	0	0	0	117.6
1076	F	31.7	Very low	29.9	Very low	170 Å²	170	129.4 Å²	129.4	75%	0.746	73%	0.732	S	S	*	*			cis	-129.1	142.5	-18.4	-88.4	-81.6	0	0	0	106.1
1077	N	26.2	Very low	30.2	Very low	129 Å²	129	130.6 Å²	130.6	69%	0.69	73%	0.732	S	S	*	*				70.2	133.7	61	-133	24.5	0	0	0	116.2
1078	N	27.1	Very low	30.2	Very low	129 Å²	129	128.7 Å²	128.7	69%	0.69	72%	0.722	S	S	*	*			trans	72.5	149.3	163	-62.1	-10	0	0	0	118.9
1079	T	28.4	Very low	30	Very low	111 Å²	111	128.8 Å²	128.8	68%	0.681	71%	0.713	S	S	*	*			cis	-164.6	146.7	-11.2	19.6	0	0	0	0	112.7
1080	T	27.1	Very low	30	Very low	139 Å²	139	126.7 Å²	126.7	85%	0.853	71%	0.705	S	S	*	*			trans	42.5	135.7	145.2	61.6	0	0	0	0	124.2
1081	G	31.5	Very low	30	Very low	71 Å²	71	128.5 Å²	128.5	73%	0.732	71%	0.707	S	S	*	*			trans	153.7	82.2	161.7	0	0	0	0	0	111.5
1082	N	28.1	Very low	29.8	Very low	153 Å²	153	127.6 Å²	127.6	82%	0.818	70%	0.699	S	S	*	*				57.9	119	68.1	-144.8	24.2	0	0	0	110.4
1083	T	31.6	Very low	29.9	Very low	97 Å²	97	130.4 Å²	130.4	60%	0.595	70%	0.701	S	S	*	*			cis	-159.2	161.7	40.6	50.1	0	0	0	0	113.5
1084	N	32.1	Very low	29.7	Very low	134 Å²	134	128.3 Å²	128.3	72%	0.717	70%	0.701	S	S	*	*			trans	69.3	145.9	149.8	-61.6	-10	0	0	0	118.6
1085	N	33.5	Very low	29.7	Very low	116 Å²	116	131.9 Å²	131.9	62%	0.62	70%	0.703	S	S	*	*			cis	-152.7	147	-0.7	-127.9	-8.1	0	0	0	112.3
1086	N	34.4	Very low	29.9	Very low	119 Å²	119	127.3 Å²	127.3	64%	0.636	70%	0.696	S	S	*	*			trans	43.7	138	147.1	-59.5	-21.4	0	0	0	121.3
1087	N	34.5	Very low	29.6	Very low	115 Å²	115	123 Å²	123	62%	0.615	68%	0.675	S	S	*	*			cis	-157.3	137.2	-9	-104.2	-28.5	0	0	0	106.3
1088	N	32.3	Very low	29.6	Very low	121 Å²	121	120.5 Å²	120.5	65%	0.647	67%	0.668	S	S	*	*				55	130.9	78.2	-66	-38.9	0	0	0	114.1
1089	N	29.9	Very low	29.5	Very low	120 Å²	120	120.3 Å²	120.3	64%	0.642	67%	0.671	S	S	*	*			cis	-162.5	163.8	-14.2	-127.2	-14	0	0	0	113
1090	N	28.2	Very low	29.4	Very low	129 Å²	129	118.7 Å²	118.7	69%	0.69	67%	0.669	S	S	*	*			trans	-11	127.7	150.7	-50.5	-37.6	0	0	0	117.4
1091	N	30.1	Very low	29.4	Very low	161 Å²	161	120.9 Å²	120.9	86%	0.861	67%	0.667	S	S	*	*				175.9	149.9	125.2	-87	-28	0	0	0	108.5
1092	A	27.7	Very low	29.3	Very low	67 Å²	67	125 Å²	125	55%	0.554	67%	0.667	S	S	*	*			cis	-172.3	-170.8	-21.2	0	0	0	0	0	106.4
1093	Y	28.8	Very low	29.4	Very low	213 Å²	213	122.5 Å²	122.5	84%	0.835	66%	0.662	S	S	*	*			trans	66.3	107.5	164.4	-62.6	-79.5	0	0	0	120.7
1094	C	25.5	Very low	29.4	Very low	108 Å²	108	123.2 Å²	123.2	73%	0.73	66%	0.662	S	S	*	*				36	114.5	119	-58.7	0	0	0	0	122.1
1095	R	26.9	Very low	29.4	Very low	185 Å²	185	126.3 Å²	126.3	70%	0.698	67%	0.665	S	S	*	*			trans	70.1	169.7	144.7	-63.4	-177.7	163.8	-177	-7.3	116.8	N955	N955-R1095 PolarHBondContact O-NH2 3.05Å
1096	P	32.9	Very low	29.3	Very low	87 Å²	87	126.2 Å²	126.2	57%	0.565	67%	0.671	S	S	*	*			cis	-133.1	-162.1	-46.3	37	-19.1	0	0	0	111.7
1097	Y	25.1	Very low	28.9	Very low	80 Å²	80	128.5 Å²	128.5	31%	0.314	68%	0.682	S	S	.	*			trans	48.9	112	148.5	-89.2	-75	0	0	0	122	Q957 L958 K959	Q957-Y1097 HydrophobicContact CB-CE2 3.53Å; Q957-Y1097 WeakPolarHBondContact CB-OH 3.42Å; Q957-Y1097 WeakPolarHBondContact O-CD2 3.38Å; Q957-Y1097 VanDerWaalsContact O-CE2 3.22Å; Q957-Y1097 WeakPolarHBondContact O-CE2 3.26Å; Q957-Y1097 PolarHBondContact OE1-OH 2.67Å; L958-Y1097 HydrophobicContact CD2-CD1 3.59Å; L958-Y1097 HydrophobicContact CD2-CE1 3.79Å; L958-Y1097 HydrophobicContact CG-CD1 4.04Å; L958-Y1097 HydrophobicContact CG-CE1 4.18Å; K959-Y1097 HydrophobicContact CB-CE1 4.35Å; K959-Y1097 WeakPolarHBondContact CG-OH 3.37Å; K959-Y1097 PolarHBondContact N-OH 2.9Å; K959-Y1097 VanDerWaalsContact N-OH 3.1Å
1098	S	25.3	Very low	28.8	Very low	76 Å²	76	128.8 Å²	128.8	53%	0.531	69%	0.691	S	S	.	*				59.6	152.6	127.1	65.6	0	0	0	0	124.7
1099	T	26.2	Very low	28.6	Very low	124 Å²	124	127.2 Å²	127.2	76%	0.761	69%	0.694	S	S	*	*			trans	71.9	89.1	148.4	41.2	0	0	0	0	120.9
1100	A	26.1	Very low	28.5	Very low	77 Å²	77	128.9 Å²	128.9	64%	0.636	70%	0.701	S	S	*	*				75.3	156	107	0	0	0	0	0	121.9
1101	F	27.7	Very low	28.6	Very low	186 Å²	186	127.6 Å²	127.6	82%	0.816	70%	0.703	S	S	*	*			trans	68	145.5	172.4	-69	-79.3	0	0	0	115.4
1102	E	27.9	Very low	28.4	Very low	156 Å²	156	123 Å²	123	73%	0.729	68%	0.678	S	S	*	*			cis	-156.2	168.6	1.6	-156.2	147.3	-136.7	0	0	112.5
1103	S	31.4	Very low	28.5	Very low	101 Å²	101	125.3 Å²	125.3	71%	0.706	69%	0.69	S	S	*	*			trans	74.2	150.5	152.6	87.5	0	0	0	0	118.6
1104	N	30.6	Very low	28.5	Very low	113 Å²	113	121.3 Å²	121.3	60%	0.604	67%	0.673	S	S	*	*			cis	-163	153.1	-12.6	-124.5	-17.7	0	0	0	114.4
1105	Y	32	Very low	28.6	Very low	199 Å²	199	120.8 Å²	120.8	78%	0.78	67%	0.671	S	S	*	*			trans	62.4	160	160.3	-55.3	-54.3	0	0	0	120.9
1106	P	31.3	Very low	28.6	Very low	114 Å²	114	121.3 Å²	121.3	74%	0.74	68%	0.678	S	S	*	*				-134.6	164.6	-51.3	38.7	-24.2	0	0	0	114.4
1107	L	26.5	Very low	28.4	Very low	166 Å²	166	124.6 Å²	124.6	87%	0.869	69%	0.69	S	S	*	*			trans	-105.8	149.2	168.3	-77.6	171.2	0	0	0	111.7
1108	P	32.9	Very low	28.6	Very low	122 Å²	122	125.7 Å²	125.7	79%	0.792	70%	0.701	S	S	*	*			trans	-97.6	158.4	145.9	35.9	-28.9	0	0	0	111.1
1109	A	26.9	Very low	29	Very low	87 Å²	87	127.4 Å²	127.4	72%	0.719	71%	0.713	S	S	*	*			trans	-135.9	-172	-176.2	0	0	0	0	0	111.9
1110	I	28.4	Very low	29.1	Very low	156 Å²	156	127 Å²	127	80%	0.8	71%	0.707	S	S	*	*			trans	77.9	109.7	168.9	-48.4	167.2	0	0	0	116
1111	S	29.7	Very low	29.2	Very low	102 Å²	102	132.8 Å²	132.8	71%	0.713	72%	0.718	S	S	*	*				-177.5	169	115.3	42	0	0	0	0	111.2
1112	N	27.1	Very low	29.3	Very low	65 Å²	65	129.7 Å²	129.7	35%	0.348	71%	0.714	S	S	.	*			trans	-130.1	143.1	-177.8	-74.4	-69.3	0	0	0	111	T1151 T1152	N1112-T1151 HydrophobicContact CB-CG2 3.92Å; N1112-T1151 WeakPolarHBondContact ND2-CB 3.37Å; N1112-T1151 WeakPolarHBondContact OD1-CA 3.19Å; N1112-T1152 PolarHBondContact ND2-O 3.29Å; N1112-T1152 WeakPolarHBondContact OD1-CA 3.04Å; N1112-T1152 WeakPolarHBondContact OD1-CB 3.49Å; N1112-T1152 PolarHBondContact OD1-N 2.86Å; N1112-T1152 PolarHBondContact OD1-O 3.27Å; N1112-T1152 VanDerWaalsContact OD1-O 3.11Å; N1112-T1152 PolarHBondContact OD1-OG1 3.25Å
1113	S	30.3	Very low	29.3	Very low	114 Å²	114	130.3 Å²	130.3	80%	0.797	72%	0.721	S	S	*	*			trans	-158.1	135.4	163.3	50.9	0	0	0	0	112.1
1114	R	27	Very low	29.1	Very low	129 Å²	129	128.9 Å²	128.9	49%	0.487	72%	0.722	S	S	.	*			trans	-94.9	131.8	164.4	-82.5	174	156.1	-165.3	-12.3	109.4	T1148 N1149 C1150	R1114-T1148 PolarHBondContact NH1-OG1 3.28Å; R1114-N1149 PolarHBondContact NH1-OD1 3.41Å; R1114-C1150 HydrophobicContact CG-CB 4.06Å; R1114-C1150 PolarHBondContact NE-SG 3.41Å; R1114-C1150 PolarHBondContact NH2-SG 3.25Å; R1114-C1150 VanDerWaalsContact NH2-SG 3.4Å
1115	S	29.1	Very low	29.1	Very low	97 Å²	97	129 Å²	129	68%	0.678	73%	0.729	S	S	*	*			trans	-173.2	134.4	156.9	42.3	0	0	0	0	106.4
1116	F	26.5	Very low	29	Very low	196 Å²	196	125.5 Å²	125.5	86%	0.86	73%	0.728	S	S	*	*			cis	63.1	90.9	13.3	-91.1	-68.3	0	0	0	115.6
1117	I	29.2	Very low	29	Very low	157 Å²	157	129.7 Å²	129.7	81%	0.805	74%	0.735	S	S	*	*			trans	-157.2	132.9	141.8	-88.9	137.6	0	0	0	104.1
1118	N	29.4	Very low	29	Very low	102 Å²	102	131.3 Å²	131.3	55%	0.545	74%	0.736	S	S	.	*			cis	103.6	124.9	29.4	-96.7	54.1	0	0	0	114.5	D1120	N1118-D1120 WeakPolarHBondContact CB-OD2 3.45Å; N1118-D1120 PolarHBondContact ND2-OD1 2.99Å; N1118-D1120 PolarHBondContact ND2-OD2 3.14Å
1119	S	32.5	Very low	28.9	Very low	113 Å²	113	131.6 Å²	131.6	79%	0.79	73%	0.73	S	S	*	*			trans	-176	67.1	158.3	61.1	0	0	0	0	106.3
1120	D	28.5	Very low	29.3	Very low	116 Å²	116	132.6 Å²	132.6	62%	0.62	72%	0.723	S	S	*	*				61.3	121	85.2	-64.1	-52.6	0	0	0	113.5	N1118	N1118-D1120 WeakPolarHBondContact CB-OD2 3.45Å; N1118-D1120 PolarHBondContact ND2-OD1 2.99Å; N1118-D1120 PolarHBondContact ND2-OD2 3.14Å
1121	F	29.4	Very low	29.3	Very low	198 Å²	198	132 Å²	132	87%	0.868	72%	0.717	S	S	*	*				-160.5	107.3	123.6	-126.2	-92.6	0	0	0	113
1122	V	29.9	Very low	29.6	Very low	121 Å²	121	134.2 Å²	134.2	73%	0.733	72%	0.716	S	S	*	*			trans	47.8	123.4	143.7	-174.5	0	0	0	0	120.9
1123	L	25.9	Very low	29.7	Very low	169 Å²	169	138.6 Å²	138.6	89%	0.885	73%	0.734	S	S	*	*			trans	-88.5	147.4	161.1	-77.2	162.5	0	0	0	111.9
1124	G	28.8	Very low	29.5	Very low	71 Å²	71	140.5 Å²	140.5	73%	0.732	73%	0.734	S	S	*	*			trans	-117.8	139.8	165.6	0	0	0	0	0	111.6
1125	P	30.6	Very low	29.5	Very low	116 Å²	116	144 Å²	144	75%	0.753	75%	0.753	S	S	*	*			trans	-98.6	-177.5	-172.9	37.6	-36	0	0	0	115.2
1126	T	29.8	Very low	29.7	Very low	124 Å²	124	144.4 Å²	144.4	76%	0.761	75%	0.753	S	S	*	*			trans	84	148.4	170.5	77.6	0	0	0	0	117.2
1127	K	30.2	Very low	29.9	Very low	203 Å²	203	142.3 Å²	142.3	88%	0.883	75%	0.75	S	S	*	*			cis	-152.9	177.6	-21.8	-118	179.2	-179.6	-179.9	0	110.2
1128	F	27.7	Very low	29.9	Very low	200 Å²	200	142.5 Å²	142.5	88%	0.877	75%	0.75	S	S	*	*			trans	-93.9	169.7	-166.3	-119.4	-98.4	0	0	0	115.7
1129	N	30.9	Very low	30	Very low	127 Å²	127	141 Å²	141	68%	0.679	76%	0.759	S	S	*	*			trans	114.2	141.4	163.5	-70.1	36.6	0	0	0	115.2
1130	D	35	Very low	30.1	Very low	108 Å²	108	140.9 Å²	140.9	58%	0.578	76%	0.758	S	S	*	*			cis	-153.4	157.8	4.4	-125.8	-37.8	0	0	0	115
1131	Q	28.9	Very low	30.1	Very low	143 Å²	143	140.4 Å²	140.4	67%	0.668	76%	0.76	S	S	*	*			trans	37.4	134.8	154.5	-70.6	156.7	67.3	0	0	121.7
1132	H	34.1	Very low	30.2	Very low	149 Å²	149	138.4 Å²	138.4	69%	0.69	76%	0.757	S	S	*	*				-158.2	143.5	65.3	-101.2	-100.7	0	0	0	115.9
1133	Q	29.9	Very low	30.1	Very low	157 Å²	157	139.6 Å²	139.6	73%	0.734	76%	0.757	S	S	*	*			trans	42.1	105.8	146.7	-60.5	176.2	21.1	0	0	120
1134	I	26.2	Very low	30.3	Very low	155 Å²	155	134.7 Å²	134.7	80%	0.795	75%	0.748	S	S	*	*				78.4	106.6	65.9	-61.9	162.7	0	0	0	115.6
1135	K	28	Very low	30.3	Very low	203 Å²	203	139.1 Å²	139.1	88%	0.883	75%	0.754	S	S	*	*				-164.2	147.8	120.7	-106.9	169.1	-175.4	174.2	0	112.1
1136	P	31.6	Very low	30.1	Very low	105 Å²	105	140.1 Å²	140.1	68%	0.682	75%	0.753	S	S	*	*			trans	-122.4	174.6	-165.6	43.5	-32.5	0	0	0	116.1
1137	I	31.4	Very low	30.2	Very low	152 Å²	152	141.1 Å²	141.1	78%	0.779	76%	0.758	S	S	*	*			trans	172.2	104.1	145.5	-89.9	151.6	0	0	0	106
1138	I	29.6	Very low	30.1	Very low	160 Å²	160	135.3 Å²	135.3	82%	0.821	74%	0.74	S	S	*	*				61.1	121.7	83.6	-57.9	163.2	0	0	0	112
1139	G	32	Very low	30.2	Very low	71 Å²	71	132.6 Å²	132.6	73%	0.732	74%	0.735	S	S	*	*			cis	-166.4	-167.3	-1.4	0	0	0	0	0	109.1
1140	S	33.4	Very low	30	Very low	110 Å²	110	130.3 Å²	130.3	77%	0.769	73%	0.727	S	S	*	*			cis	-166.8	140.1	-1.8	47.6	0	0	0	0	111.7
1141	T	29.8	Very low	29.8	Very low	106 Å²	106	130.7 Å²	130.7	65%	0.65	73%	0.734	S	S	*	*			trans	27.2	131.7	135.1	-28.6	0	0	0	0	119.6	I1143	T1141-I1143 HydrophobicContact CG2-CD1 3.64Å; T1141-I1143 HydrophobicContact CG2-CG1 4.09Å
1142	I	31.4	Very low	29.8	Very low	157 Å²	157	128.9 Å²	128.9	81%	0.805	73%	0.733	S	S	*	*				-168.7	127.6	79.6	-76.9	153.9	0	0	0	106.4
1143	I	27.4	Very low	29.6	Very low	146 Å²	146	125.1 Å²	125.1	75%	0.749	72%	0.723	S	S	*	*				79.2	122.8	51.2	-60	-179.2	0	0	0	114.8	T1141	T1141-I1143 HydrophobicContact CG2-CD1 3.64Å; T1141-I1143 HydrophobicContact CG2-CG1 4.09Å
1144	G	30.1	Very low	29.4	Very low	66 Å²	66	124.7 Å²	124.7	68%	0.68	72%	0.724	S	S	*	*			trans	141.6	73.6	175.7	0	0	0	0	0	112.3
1145	L	29.3	Very low	29.5	Very low	164 Å²	164	121.6 Å²	121.6	86%	0.859	72%	0.716	S	S	*	*				94.5	137	78.7	-84.7	171.8	0	0	0	113.5
1146	D	26	Very low	29.5	Very low	137 Å²	137	118.3 Å²	118.3	73%	0.733	71%	0.709	S	S	*	*			trans	-69.9	149.7	-178	-64	-89.8	0	0	0	114.7
1147	V	31.3	Very low	29.4	Very low	145 Å²	145	119.8 Å²	119.8	88%	0.879	71%	0.711	S	S	*	*				-142.4	139.2	118.3	-174.6	0	0	0	0	108.1
1148	T	28.3	Very low	29.3	Very low	81 Å²	81	118.9 Å²	118.9	50%	0.497	71%	0.706	S	S	.	*			trans	-111.9	139.1	167.5	84.4	0	0	0	0	111.6	R1114	R1114-T1148 PolarHBondContact NH1-OG1 3.28Å
1149	N	30.6	Very low	29.3	Very low	143 Å²	143	116.9 Å²	116.9	77%	0.765	70%	0.697	S	S	*	*			trans	-163.4	158.1	135.7	-105.9	-35.1	0	0	0	112.4	R1114	R1114-N1149 PolarHBondContact NH1-OD1 3.41Å
1150	C	25.8	Very low	29.1	Very low	78 Å²	78	121 Å²	121	53%	0.527	70%	0.697	S	S	.	*			trans	-109.5	137.1	-178.7	-67.4	0	0	0	0	111.7	R1114	R1114-C1150 HydrophobicContact CG-CB 4.06Å; R1114-C1150 PolarHBondContact NE-SG 3.41Å; R1114-C1150 PolarHBondContact NH2-SG 3.25Å; R1114-C1150 VanDerWaalsContact NH2-SG 3.4Å
1151	T	29.8	Very low	29	Very low	116 Å²	116	121.7 Å²	121.7	71%	0.712	70%	0.697	S	S	*	*			trans	-148.2	113.6	155.3	45.8	0	0	0	0	110.4	N1112	N1112-T1151 HydrophobicContact CB-CG2 3.92Å; N1112-T1151 WeakPolarHBondContact ND2-CB 3.37Å; N1112-T1151 WeakPolarHBondContact OD1-CA 3.19Å
1152	T	28.8	Very low	29	Very low	105 Å²	105	120.9 Å²	120.9	64%	0.644	70%	0.696	S	S	*	*			trans	-57.3	157.8	157.2	14	0	0	0	0	110.2	N1112	N1112-T1152 PolarHBondContact ND2-O 3.29Å; N1112-T1152 WeakPolarHBondContact OD1-CA 3.04Å; N1112-T1152 WeakPolarHBondContact OD1-CB 3.49Å; N1112-T1152 PolarHBondContact OD1-N 2.86Å; N1112-T1152 PolarHBondContact OD1-O 3.27Å; N1112-T1152 VanDerWaalsContact OD1-O 3.11Å; N1112-T1152 PolarHBondContact OD1-OG1 3.25Å
1153	S	30.1	Very low	29	Very low	70 Å²	70	120.2 Å²	120.2	49%	0.49	69%	0.694	S	S	.	*				-175.9	138	70.6	-69.3	0	0	0	0	112.4
1154	I	27.6	Very low	29.3	Very low	148 Å²	148	120.6 Å²	120.6	76%	0.759	70%	0.697	S	S	*	*				54.8	110.9	128.7	-55.7	177	0	0	0	119.8
1155	S	27.1	Very low	29.2	Very low	90 Å²	90	121.9 Å²	121.9	63%	0.629	70%	0.701	S	S	*	*			trans	83.7	121	136.7	81.1	0	0	0	0	123.7
1156	N	28.6	Very low	29.4	Very low	135 Å²	135	121.3 Å²	121.3	72%	0.722	71%	0.705	S	S	*	*				84.2	131.1	124.4	-68.3	4.5	0	0	0	122.5
1157	N	29.9	Very low	29.4	Very low	136 Å²	136	120.1 Å²	120.1	73%	0.727	70%	0.703	S	S	*	*			trans	70.5	149.2	146.6	-64.3	3.1	0	0	0	118.5
1158	I	28	Very low	29.4	Very low	133 Å²	133	120.3 Å²	120.3	68%	0.682	70%	0.704	S	S	*	*			cis	-174.2	159.8	-33	-118.6	167.5	0	0	0	105.5
1159	N	29.6	Very low	29.3	Very low	118 Å²	118	120.7 Å²	120.7	63%	0.631	71%	0.706	S	S	*	*			trans	68.7	125.7	178.2	-73.5	17.9	0	0	0	115.7
1160	E	27.8	Very low	29.2	Very low	157 Å²	157	125.3 Å²	125.3	73%	0.734	71%	0.714	S	S	*	*				77.2	128.9	101.5	-63.4	171.1	154.7	0	0	112.8
1161	T	31.3	Very low	29.4	Very low	124 Å²	124	130.1 Å²	130.1	76%	0.761	73%	0.726	S	S	*	*			cis	-157.1	164.6	15.1	-5.7	0	0	0	0	112.7
1162	S	30	Very low	29.3	Very low	89 Å²	89	130.3 Å²	130.3	62%	0.622	73%	0.729	S	S	*	*			trans	58.3	113.8	147.9	62.2	0	0	0	0	122.6
1163	N	31.9	Very low	29.4	Very low	144 Å²	144	134.3 Å²	134.3	77%	0.77	74%	0.741	S	S	*	*				88.6	144.2	126.4	-59.6	-7.6	0	0	0	122.4
1164	N	33.1	Very low	29.4	Very low	154 Å²	154	137.4 Å²	137.4	82%	0.824	76%	0.757	S	S	*	*			trans	63	92.1	160.8	-56	-11.5	0	0	0	116.4
1165	A	29.4	Very low	29.6	Very low	92 Å²	92	138.5 Å²	138.5	76%	0.76	76%	0.762	S	S	*	*			cis	81.1	109.5	44.1	0	0	0	0	0	115.8
1166	T	32	Very low	29.9	Very low	153 Å²	153	141.2 Å²	141.2	94%	0.939	77%	0.77	S	S	*	*			trans	-146.4	112.5	152.3	-12.9	0	0	0	0	111.7
1167	T	27.4	Very low	29.8	Very low	111 Å²	111	146.2 Å²	146.2	68%	0.681	78%	0.779	S	S	*	*			trans	-67.5	144.5	-174.7	-56	0	0	0	0	115.3	V1169	T1167-V1169 HydrophobicContact CG2-CG2 3.35Å
1168	V	30.4	Very low	29.8	Very low	150 Å²	150	144.2 Å²	144.2	91%	0.909	78%	0.775	S	S	*	*			trans	-130.5	141.7	143.1	-177.7	0	0	0	0	108.5
1169	V	26.3	Very low	30	Very low	88 Å²	88	144.3 Å²	144.3	53%	0.533	78%	0.777	S	S	.	*			trans	-115.2	139.6	-165.2	-178.2	0	0	0	0	112.4	T1167 K1171	T1167-V1169 HydrophobicContact CG2-CG2 3.35Å; V1169-K1171 HydrophobicContact CG1-CG 4.16Å
1170	Y	29.3	Very low	30	Very low	241 Å²	241	149 Å²	149	95%	0.945	79%	0.786	S	S	*	*			trans	-133.6	144.7	141.8	-105.8	-87.9	0	0	0	110.8
1171	K	28.5	Very low	30	Very low	179 Å²	179	148 Å²	148	78%	0.778	79%	0.785	S	S	*	*			trans	-95.9	137.7	-162.1	-64.2	174.8	178.6	173.5	0	113.7	V1169	V1169-K1171 HydrophobicContact CG1-CG 4.16Å
1172	P	27.6	Very low	29.7	Very low	119 Å²	119	148.8 Å²	148.8	77%	0.773	79%	0.785	S	S	*	*			trans	-84	159.8	149	35.4	-31.5	0	0	0	111
1173	Q	32.2	Very low	29.7	Very low	189 Å²	189	152.8 Å²	152.8	88%	0.883	80%	0.797	S	S	*	*			trans	-126.7	132.5	162.9	-89.5	-168.8	-27.3	0	0	110.8
1174	T	29.7	Very low	29.4	Very low	135 Å²	135	148.9 Å²	148.9	83%	0.828	79%	0.791	S	S	*	*			trans	-124.4	136	175.1	49.3	0	0	0	0	109.1
1175	I	32	Very low	29	Very low	171 Å²	171	153 Å²	153	88%	0.877	80%	0.795	S	S	*	*			trans	-110.4	104.7	171.5	-63.6	-176.9	0	0	0	110.2
1176	N	32.1	Very low	28.8	Very low	148 Å²	148	157.8 Å²	157.8	79%	0.791	80%	0.802	S	S	*	*			trans	24	138.3	153.5	-119.6	-10.7	0	0	0	123.2
1177	R	27.4	Very low	28.7	Very low	240 Å²	240	156.2 Å²	156.2	91%	0.906	80%	0.797	S	S	*	*			trans	-107.5	126.1	156.1	-82	177.8	165.3	-177.2	-3.2	109.2
1178	S	29.8	Very low	28.7	Very low	93 Å²	93	156.9 Å²	156.9	65%	0.65	81%	0.806	S	S	*	*			trans	174.5	120.4	140.8	52.3	0	0	0	0	112.2
1179	N	32.9	Very low	28.6	Very low	136 Å²	136	153.3 Å²	153.3	73%	0.727	80%	0.8	S	S	*	*				179.1	138	117.2	-90.2	-13.4	0	0	0	113.4
1180	W	29.6	Very low	28.6	Very low	216 Å²	216	158.6 Å²	158.6	82%	0.818	81%	0.81	S	S	*	*			trans	33.9	115.7	145.1	-60.1	68.6	0	0	0	119.5
1181	L	27.1	Very low	28.6	Very low	136 Å²	136	155.9 Å²	155.9	71%	0.712	80%	0.804	S	S	*	*				84.8	128.9	68.2	-95	165.6	0	0	0	115.6
1182	N	25.7	Very low	28.6	Very low	141 Å²	141	153.7 Å²	153.7	75%	0.754	80%	0.796	S	S	*	*			trans	79	154.2	164.6	-64.8	-25.2	0	0	0	120.5
1183	I	28.5	Very low	28.6	Very low	172 Å²	172	155.3 Å²	155.3	88%	0.882	80%	0.798	S	S	*	*			trans	68.8	125.7	176.5	-44.3	178.5	0	0	0	115.5
1184	G	26.8	Very low	28.4	Very low	62 Å²	62	156.7 Å²	156.7	64%	0.639	80%	0.796	S	S	*	*			cis	132.4	82.9	-17.3	0	0	0	0	0	116.8
1185	R	24.7	Very low	28.5	Very low	240 Å²	240	160.7 Å²	160.7	91%	0.906	80%	0.796	S	S	*	*			trans	70	153.8	164	-70.2	-176.1	166	-165.7	-3.5	119
1186	Q	25.2	Very low	28.3	Very low	193 Å²	193	163.8 Å²	163.8	90%	0.902	80%	0.796	S	S	*	*			trans	66.8	146.7	172	-64.1	169.9	0.4	0	0	115
1187	S	30.3	Very low	28	Very low	121 Å²	121	161.7 Å²	161.7	85%	0.846	79%	0.793	S	S	*	*			cis	-129.8	163.3	5.5	58.9	0	0	0	0	112.8
1188	S	26.6	Very low	28.2	Very low	124 Å²	124	158.1 Å²	158.1	87%	0.867	79%	0.791	S	S	*	*			trans	-114.6	126.1	173.5	55.1	0	0	0	0	110
1189	G	27.9	Very low	28	Very low	76 Å²	76	163.2 Å²	163.2	78%	0.784	80%	0.802	S	S	*	*			trans	-156.5	140.5	179.1	0	0	0	0	0	112.8
1190	R	26.4	Very low	28.1	Very low	199 Å²	199	165.5 Å²	165.5	75%	0.751	83%	0.829	S	S	*	*			trans	-63.6	155.3	179.1	-54	-179.8	-170	172.7	1.2	110.8
1191	F	29.4	Very low	28	Very low	184 Å²	184	163 Å²	163	81%	0.807	83%	0.829	S	S	*	*				-156.1	142.8	59	-92.5	-101.3	0	0	0	108.9
1192	E	28.1	Very low	28	Very low	132 Å²	132	164.4 Å²	164.4	62%	0.617	84%	0.835	S	S	*	*			cis	103.4	118.3	26.1	-165.4	158.9	-129.5	0	0	112.8
1193	D	27.7	Very low	28.2	Very low	153 Å²	153	165.7 Å²	165.7	82%	0.818	84%	0.84	S	S	*	*			trans	85.8	150.9	164.1	-115.5	-23.5	0	0	0	124
1194	R	28.3	Very low	28.2	Very low	219 Å²	219	165.4 Å²	165.4	83%	0.826	84%	0.838	S	S	*	*			trans	73.3	131.1	176.8	-57.9	178.1	-172.1	-156.3	-0.4	116.5
1195	R	32.9	Very low	28.2	Very low	219 Å²	219	171.8 Å²	171.8	83%	0.826	85%	0.85	S	S	*	*			cis	-138.6	143.8	-5.6	-85.8	154.1	173.4	172.3	-5.1	106.6
1196	R	26.7	Very low	28.5	Very low	236 Å²	236	167.3 Å²	167.3	89%	0.891	85%	0.846	S	S	*	*				59.3	128.2	64.9	-90.6	-163	-179.7	-157.2	1.6	116.3
1197	S	25.7	Very low	28.7	Very low	104 Å²	104	165.4 Å²	165.4	73%	0.727	84%	0.842	S	S	*	*			trans	58.5	119.7	159.6	59	0	0	0	0	120.7
1198	L	32.6	Very low	28.6	Very low	165 Å²	165	168.8 Å²	168.8	86%	0.864	84%	0.842	S	S	*	*			trans	155.2	98.4	135	-83.2	165.5	0	0	0	105.9
1199	F	25.5	Very low	28.8	Very low	199 Å²	199	172.6 Å²	172.6	87%	0.873	84%	0.84	S	S	*	*			cis	63.5	89.5	49.7	-103.3	-65.3	0	0	0	114.3
1200	S	34.2	Very low	28.8	Very low	185 Å²	185	181.4 Å²	181.4	100%	1.294	85%	0.845	S	S	*	*			trans	-145.1	0	130.8	65.7	0	0	0	0	106.9

Retrieved 1,200 of 1,200 residues in 1300.8 ms (Link to these results)

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