A0A3Q0KTM2_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KTM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,113 aa.

						>A0A3Q0KTM2_SCHMA|A0A3Q0KTM2
MDFLVEVDDELDYNEGESPVTLKRTGTSYTGDLKSSQFHAKSAYLSDKGRRTIVSPREEGEAYSDDENDSGMPPVESKREYNSKQMTHFDKEEGEASSEEDRRYENSRREKSGSSKYPPGNTNFTLEEHQYRNRLHERYERREREKKRIRDNIDSEPMHGSHQHERSVYYKENSTSSSEREDIHPNPKVEDSEVSRKYQTSKQSDSKQKDRILVSTINQTLEESPQDNRQYKTALQTEREEYVLKYGASQSSCVTVTDRMIESQTIYTDELNPSQSEISRKSKSKKSKRDRKEKEQKITSKSREMITLKMKKESRQRKIQSGNNSSSHLDYNTWESIQKYTKLPDRHHGPLQHSRSGSLDSISSASSQLSKVSAYSGRSSHSSPLRYRKSSTSLTSGQQIRRSSQSPNDLDESYSYSKKRYHREARETAPPPESTRHYVGPNQISVKMKHKRKGDKREASESNNYGVNLASKREKLSQDSETHELQIEDSHTHSTTGRTKSKMSKSLGTESSKHKKHSSKSSKMKNSRSTMRKLSSSSKLEEDYEQGNRNLYKLVVNKSEDGGQYSEESDSDPQNINDNSNSRRNNHESNYGKIADIDINEKAGGKSKEMHVLFSAGNKIIGNDIKGEFNRLPPPPRYPGYSESSSECDEGGVPDNGFLDDDDDIHDHKVDDDDVDLRKDNDIGNDDEISSFKNKPPGKPFYFPSIQGCRSVEEFECLNRIEEGTYGVVYRARDKKVNEIVALKRLKMEKERDGFPITSLREINMLMKAQHENIVTVREVVVGSNMDKIYLVMDYVEHDLKSLMEIMNGPFSVGEVKCLLVQLLRAVSHLHDNWILHRDLKTSNLLLSHQGILKVGDFGLAREYGSPLKHYTEVVVTLWYRAPELLLGTKQYTCPIDLWSVGCIFAEFLLQRPLFPGKGEVDELNIIFRDLGTPTERIWPGVSQLPGIKKCVFTEYPYNQLRRRFTEKQISDQGFDLLNSFLTYCPDKRITAEKALVHSYFNERPRAIHPSMFPSWPAKSEGGVAVKRASPRAPAGGGALAAAAAAVAAAAAAAASSLATTSGSRVRYQPPAPPMGGQRFYSNMSDSRPGTANQGSGDAFTTSGVDKGFLLRF
					

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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	35.4	Very low	35	Very low	219 Å²	219	152.7 Å²	152.7	100%	1.079	79%	0.787	S	S	*	*				0	22.5	0	-100	-81.1	-169.6	0	0	110.6
2	D	30.5	Very low	35.1	Very low	109 Å²	109	150.5 Å²	150.5	58%	0.583	78%	0.778	S	S	*	*			trans	-127.9	23.7	-152	-52.6	-77.4	0	0	0	113
3	F	27.2	Very low	35	Very low	161 Å²	161	153.5 Å²	153.5	71%	0.706	78%	0.775	S	S	*	*			trans	-138.4	86.3	-179.2	-110.1	-108.1	0	0	0	109.9	Q250	F3-Q250 VanDerWaalsContact CB-OE1 3.26Å; F3-Q250 VanDerWaalsContact CG-NE2 3.34Å
4	L	31.5	Very low	34.6	Very low	149 Å²	149	153.5 Å²	153.5	78%	0.78	78%	0.778	S	S	*	*			trans	-161.1	33.1	170.6	-113.8	175.2	0	0	0	112.3
5	V	36.1	Very low	34.4	Very low	141 Å²	141	157.1 Å²	157.1	86%	0.855	79%	0.791	S	S	*	*			trans	-127.9	75.4	-177.5	-173.5	0	0	0	0	109.8
6	E	33.9	Very low	34.1	Very low	191 Å²	191	151.4 Å²	151.4	89%	0.893	78%	0.784	S	S	*	*	S	Bend	trans	-165	6	165.6	-120.2	163.1	-155.1	0	0	117.4
7	V	37.7	Very low	34	Very low	141 Å²	141	153.9 Å²	153.9	86%	0.855	79%	0.791	S	S	*	*	S	Bend	trans	-113.7	-12	-172.1	-170.4	0	0	0	0	114.8
8	D	41.3	Very low	33.9	Very low	119 Å²	119	148.9 Å²	148.9	64%	0.636	77%	0.772	S	S	*	*	S	Bend	trans	-88.9	-6	-170	-85.5	-39.7	0	0	0	116.2
9	D	39.1	Very low	33.8	Very low	114 Å²	114	147.1 Å²	147.1	61%	0.61	77%	0.771	S	S	*	*	S	Bend	trans	-99.3	-5	-162.4	-84.6	-39.3	0	0	0	116.7	K869	D9-K869 IonicContact OD1-NZ 3.07Å; D9-K869 PolarHBondContact OD1-NZ 3.16Å; D9-K869 IonicContact OD2-NZ 2.88Å; D9-K869 PolarHBondContact OD2-NZ 3.38Å
10	E	35.9	Very low	33.8	Very low	175 Å²	175	146.1 Å²	146.1	82%	0.818	77%	0.77	S	S	*	*	S	Bend	trans	-99.2	-3.8	-169.7	-115.5	-172.2	177.6	0	0	117
11	L	36.5	Very low	33.7	Very low	161 Å²	161	145.4 Å²	145.4	84%	0.843	77%	0.772	S	S	*	*			trans	-110.4	4	-172.4	-72.9	179.1	0	0	0	116.8	Y13	L11-Y13 PolarHBondContact O-N 3.45Å
12	D	36.3	Very low	33.5	Very low	126 Å²	126	142.5 Å²	142.5	67%	0.674	76%	0.76	S	S	*	*			trans	-76.5	57.4	170.2	-102.3	-2.9	0	0	0	110.9	R862	D12-R862 IonicContact OD2-NH1 2.62Å; D12-R862 IonicContact OD2-NH2 2.74Å
13	Y	33.7	Very low	33.7	Very low	190 Å²	190	146.5 Å²	146.5	75%	0.745	77%	0.772	S	S	*	*			trans	-103.3	92.4	178.8	-109	-78.8	0	0	0	112.9	L11 E15	L11-Y13 PolarHBondContact O-N 3.45Å; Y13-E15 PolarHBondContact O-N 3.38Å
14	N	29.5	Very low	33.7	Very low	153 Å²	153	150.9 Å²	150.9	82%	0.818	78%	0.784	S	S	*	*			trans	43.7	57.4	152.1	-70.4	-28.8	0	0	0	119.3	G16	N14-G16 PolarHBondContact O-N 3.44Å
15	E	30.9	Very low	34	Very low	207 Å²	207	150.4 Å²	150.4	97%	0.967	79%	0.788	S	S	*	*			trans	-92.1	84.5	155.5	-67	-154	150.9	0	0	110.2	Y13	Y13-E15 PolarHBondContact O-N 3.38Å
16	G	29.9	Very low	33.8	Very low	66 Å²	66	146.6 Å²	146.6	68%	0.68	78%	0.777	S	S	*	*			trans	-167.1	-9.1	-173.5	0	0	0	0	0	118.4	N14	N14-G16 PolarHBondContact O-N 3.44Å
17	E	33.2	Very low	33.9	Very low	195 Å²	195	144.3 Å²	144.3	91%	0.911	78%	0.776	S	S	*	*			trans	-113	111.6	175.5	-70.1	-160.5	155.6	0	0	112.3
18	S	31.5	Very low	33.7	Very low	63 Å²	63	142.6 Å²	142.6	44%	0.441	77%	0.771	S	S	.	*			trans	-65.9	132.1	173.8	51.6	0	0	0	0	111.4	V20	S18-V20 PolarHBondContact O-N 3.11Å
19	P	32.7	Very low	33.1	Very low	115 Å²	115	147 Å²	147	75%	0.747	78%	0.78	S	S	*	*			trans	-69.7	115.2	-178.7	27.5	-34	0	0	0	111.4	T21	P19-T21 PolarHBondContact O-N 2.9Å
20	V	33.1	Very low	32.8	Very low	127 Å²	127	147.7 Å²	147.7	77%	0.77	79%	0.788	S	S	*	*			trans	-69	101.6	172	177.4	0	0	0	0	109.4	S18 L22	S18-V20 PolarHBondContact O-N 3.11Å; V20-L22 PolarHBondContact O-N 2.59Å; V20-L22 VanDerWaalsContact O-N 3.11Å
21	T	31.4	Very low	32.7	Very low	131 Å²	131	142.7 Å²	142.7	80%	0.804	78%	0.784	S	S	*	*			trans	-77.5	90.2	175.6	36.8	0	0	0	0	111.1	P19	P19-T21 PolarHBondContact O-N 2.9Å
22	L	32.5	Very low	32.5	Very low	159 Å²	159	142 Å²	142	83%	0.832	78%	0.781	S	S	*	*			trans	-89.4	118.7	172.1	-124.6	155.4	0	0	0	110.7	V20	V20-L22 PolarHBondContact O-N 2.59Å; V20-L22 VanDerWaalsContact O-N 3.11Å
23	K	34	Very low	32.5	Very low	192 Å²	192	142.1 Å²	142.1	84%	0.835	78%	0.781	S	S	*	*			trans	-67.2	133.5	-168.3	-67.2	173.7	178.4	173.5	0	112.6	T25	K23-T25 PolarHBondContact O-N 2.91Å
24	R	27.5	Very low	32.5	Very low	253 Å²	253	141.4 Å²	141.4	96%	0.955	78%	0.782	S	S	*	*			trans	-78.6	106.5	165.6	-98.6	-177.8	167.8	172.2	-3.6	111.4
25	T	37.9	Very low	32.6	Very low	139 Å²	139	139.5 Å²	139.5	85%	0.853	78%	0.781	S	S	*	*			trans	-147.7	120.3	149.7	50.6	0	0	0	0	104.5	K23	K23-T25 PolarHBondContact O-N 2.91Å
26	G	31.1	Very low	32.8	Very low	62 Å²	62	135.5 Å²	135.5	64%	0.639	78%	0.775	S	S	*	*			cis	143.8	165.3	22.3	0	0	0	0	0	106.3
27	T	35.6	Very low	33.1	Very low	142 Å²	142	140.7 Å²	140.7	87%	0.871	78%	0.782	S	S	*	*			trans	83.4	125.7	177.7	72.5	0	0	0	0	119
28	S	33.3	Very low	33.2	Very low	105 Å²	105	140.6 Å²	140.6	73%	0.734	78%	0.779	S	S	*	*			trans	33	120.6	150.9	48.8	0	0	0	0	121.6
29	Y	30	Very low	33.3	Very low	212 Å²	212	144.7 Å²	144.7	83%	0.831	79%	0.791	S	S	*	*				74	116	72.5	-112.3	-103.2	0	0	0	115.1
30	T	32.3	Very low	33.4	Very low	128 Å²	128	143.1 Å²	143.1	79%	0.785	79%	0.787	S	S	*	*			trans	51.1	129.2	149.1	53.7	0	0	0	0	120.9
31	G	33.6	Very low	33.4	Very low	71 Å²	71	145.9 Å²	145.9	73%	0.732	79%	0.789	S	S	*	*			trans	147.2	85.4	154.9	0	0	0	0	0	116.4
32	D	33.7	Very low	33.4	Very low	147 Å²	147	145.4 Å²	145.4	79%	0.786	79%	0.791	S	S	*	*			trans	55.8	129.8	130.5	-78.4	-26	0	0	0	125
33	L	34.8	Very low	33.4	Very low	128 Å²	128	142.2 Å²	142.2	67%	0.67	79%	0.787	S	S	*	*			trans	76	116.5	131.1	-63.7	167.9	0	0	0	122.3
34	K	34.3	Very low	33.2	Very low	174 Å²	174	143.5 Å²	143.5	76%	0.757	79%	0.789	S	S	*	*			trans	75.9	97.6	131.2	-69.9	174.6	175.3	169.3	0	121
35	S	31.9	Very low	33.5	Very low	114 Å²	114	139.2 Å²	139.2	80%	0.797	78%	0.784	S	S	*	*				47.9	122.1	121.7	66.2	0	0	0	0	122
36	S	34.7	Very low	33.2	Very low	122 Å²	122	137.7 Å²	137.7	85%	0.853	78%	0.779	S	S	*	*				-163.1	145.1	124.1	-169	0	0	0	0	111.4
37	Q	36.5	Very low	33.4	Very low	175 Å²	175	142 Å²	142	82%	0.818	79%	0.787	S	S	*	*			trans	-96.8	161.9	-176.8	-65.7	177.5	-17.4	0	0	112.9
38	F	34.3	Very low	33.2	Very low	193 Å²	193	145.4 Å²	145.4	85%	0.846	79%	0.79	S	S	*	*			trans	-142.9	109.1	142.3	-107.1	-83.5	0	0	0	111.8
39	H	35.3	Very low	33.3	Very low	150 Å²	150	143.1 Å²	143.1	69%	0.694	78%	0.784	S	S	*	*			trans	40.4	143.1	147.4	-77	-76.7	0	0	0	122.9
40	A	34.4	Very low	33.3	Very low	81 Å²	81	144.8 Å²	144.8	67%	0.669	79%	0.788	S	S	*	*			cis	-149.1	137.5	15.4	0	0	0	0	0	115.6
41	K	32.8	Very low	33.4	Very low	185 Å²	185	149.6 Å²	149.6	80%	0.804	79%	0.792	S	S	*	*			trans	50.2	115.9	142.5	-58.8	179.4	179.5	-178.2	0	118.4
42	S	30.9	Very low	33.2	Very low	122 Å²	122	152.2 Å²	152.2	85%	0.853	79%	0.794	S	S	*	*			cis	65	135.3	49.7	-152.7	0	0	0	0	112.8
43	A	33.6	Very low	33.3	Very low	91 Å²	91	152.5 Å²	152.5	75%	0.752	79%	0.794	S	S	*	*			cis	-149.1	166.3	25.1	0	0	0	0	0	115.4
44	Y	28.9	Very low	33.3	Very low	219 Å²	219	152.1 Å²	152.1	86%	0.859	80%	0.797	S	S	*	*			trans	-79.7	-175.5	161.4	-96.8	-106	0	0	0	111.7
45	L	33.9	Very low	33.2	Very low	163 Å²	163	149 Å²	149	85%	0.853	80%	0.796	S	S	*	*			trans	85	110.9	167.6	-64.5	128.9	0	0	0	114.2
46	S	32	Very low	33.7	Very low	108 Å²	108	148.4 Å²	148.4	76%	0.755	79%	0.79	S	S	*	*				89.5	103.1	68.9	170.3	0	0	0	0	111.6
47	D	34.1	Very low	33.8	Very low	152 Å²	152	152.3 Å²	152.3	81%	0.813	79%	0.786	S	S	*	*			trans	-143.3	111.8	153.5	-153	-13.1	0	0	0	112
48	K	32.8	Very low	34	Very low	213 Å²	213	149.7 Å²	149.7	93%	0.926	77%	0.774	S	S	*	*			trans	-112.2	100.1	162.9	-84.9	-174.2	176.1	-179.5	0	105.9
49	G	33.9	Very low	34.2	Very low	58 Å²	58	149 Å²	149	60%	0.598	77%	0.773	S	S	*	*			trans	-168	90.3	-175	0	0	0	0	0	116.9
50	R	31.3	Very low	34.4	Very low	246 Å²	246	144.9 Å²	144.9	93%	0.928	77%	0.771	S	S	*	*			trans	32.7	123.9	151.5	-74.3	179	166.6	-174.8	-4	119.1
51	R	33.2	Very low	34.6	Very low	230 Å²	230	150.4 Å²	150.4	87%	0.868	78%	0.783	S	S	*	*				-172.9	129.9	103.1	-102.3	165.2	-173.4	173.9	3.7	112.7
52	T	31.1	Very low	35	Very low	126 Å²	126	145.1 Å²	145.1	77%	0.773	77%	0.774	S	S	*	*			trans	53.2	131.5	149.2	52.3	0	0	0	0	118.5
53	I	34.6	Very low	35.3	Very low	153 Å²	153	150 Å²	150	79%	0.785	78%	0.775	S	S	*	*			cis	-148.5	123.9	43.9	-69.2	173.1	0	0	0	111.9
54	V	34.3	Very low	35.6	Very low	120 Å²	120	149.3 Å²	149.3	73%	0.727	77%	0.765	S	S	*	*			trans	38.6	106.3	135.7	-171.4	0	0	0	0	121.6
55	S	33.8	Very low	36.1	Very low	107 Å²	107	145.6 Å²	145.6	75%	0.748	76%	0.76	S	S	*	*				52.1	163.7	121.2	-55.7	0	0	0	0	123.7
56	P	42.2	Very low	36.4	Very low	103 Å²	103	144.3 Å²	144.3	67%	0.669	75%	0.754	S	S	*	*			cis	-143.6	-165.9	-33.2	38.9	-19.4	0	0	0	114.9
57	R	36.6	Very low	36.7	Very low	203 Å²	203	146.7 Å²	146.7	77%	0.766	75%	0.753	S	S	*	*			trans	76.9	149.6	157.1	-72.5	170.4	138.6	141.8	-2.6	117.7
58	E	40.5	Very low	36.9	Very low	121 Å²	121	146 Å²	146	57%	0.565	75%	0.75	S	S	*	*			cis	-152.3	137.7	4	-122.6	142.2	-158.5	0	0	107.8
59	E	39	Very low	37.1	Very low	178 Å²	178	142.4 Å²	142.4	83%	0.832	74%	0.741	S	S	*	*				64.2	136.4	106.4	-63.3	175.2	-159.5	0	0	115.8
60	G	37.7	Very low	37.2	Very low	63 Å²	63	145 Å²	145	65%	0.649	75%	0.749	S	S	*	*			cis	-146.2	169.7	0.1	0	0	0	0	0	111.4
61	E	39.2	Very low	37.4	Very low	197 Å²	197	137 Å²	137	92%	0.921	75%	0.745	S	S	*	*				72.1	139	93.8	-67.1	-173.1	-175.7	0	0	114.1
62	A	40.5	Very low	37.3	Very low	75 Å²	75	135 Å²	135	62%	0.62	75%	0.747	S	S	*	*			cis	-165.9	151.8	12.8	0	0	0	0	0	112.1
63	Y	38.9	Very low	38	Very low	223 Å²	223	134.2 Å²	134.2	88%	0.875	74%	0.744	S	S	*	*			trans	58.7	151.4	144.5	-75.5	-113.1	0	0	0	120.2
64	S	39.6	Very low	38.3	Very low	77 Å²	77	132.4 Å²	132.4	54%	0.538	74%	0.742	S	S	.	*			cis	-177.7	149.9	-13.9	48.9	0	0	0	0	108.9
65	D	38.8	Very low	38.1	Very low	141 Å²	141	132.2 Å²	132.2	75%	0.754	74%	0.741	S	S	*	*			trans	48.9	144.2	131	-45.9	-13.3	0	0	0	119.2
66	D	41.2	Very low	37.9	Very low	137 Å²	137	134.9 Å²	134.9	73%	0.733	74%	0.742	S	S	*	*			cis	-153.6	138.6	13.4	-97.7	-34.1	0	0	0	107.4
67	E	37.7	Very low	37.5	Very low	157 Å²	157	135 Å²	135	73%	0.734	75%	0.745	S	S	*	*				66.4	141.8	93.2	-85.7	-150.1	175.6	0	0	119.1
68	N	38	Very low	37.2	Very low	139 Å²	139	134.2 Å²	134.2	74%	0.743	75%	0.747	S	S	*	*			trans	71.3	148.3	162.1	-57.5	-49.3	0	0	0	119.4
69	D	36.4	Very low	36.9	Very low	136 Å²	136	138.6 Å²	138.6	73%	0.727	76%	0.758	S	S	*	*			cis	173.1	162	-24.4	176.2	33.3	0	0	0	105
70	S	36.4	Very low	36.5	Very low	112 Å²	112	136.8 Å²	136.8	78%	0.783	75%	0.75	S	S	*	*			trans	75.2	149.1	160.5	83.3	0	0	0	0	119.6
71	G	35.2	Very low	36.2	Very low	80 Å²	80	142.6 Å²	142.6	83%	0.825	75%	0.754	S	S	*	*			trans	122.7	98.4	156.9	0	0	0	0	0	116.6
72	M	32.4	Very low	35.9	Very low	188 Å²	188	139.2 Å²	139.2	93%	0.926	74%	0.742	S	S	*	*			trans	-77.4	162.9	169	-105.1	-142.8	176.5	0	0	113.1
73	P	45.9	Very low	35.4	Very low	109 Å²	109	139.7 Å²	139.7	71%	0.708	74%	0.741	S	S	*	*			trans	-84.7	171.6	-171.6	39.3	-39.4	0	0	0	112.7
74	P	39.2	Very low	35.1	Very low	114 Å²	114	137.7 Å²	137.7	74%	0.74	74%	0.737	S	S	*	*				-159.4	160.2	94.3	42.5	-22.8	0	0	0	118.9
75	V	30.7	Very low	34.7	Very low	117 Å²	117	141.8 Å²	141.8	71%	0.709	75%	0.747	S	S	*	*				58.8	124.5	129.8	177.2	0	0	0	0	123
76	E	29.9	Very low	34.1	Very low	163 Å²	163	143 Å²	143	76%	0.762	75%	0.75	S	S	*	*			trans	52.6	128.7	149.9	-69.6	169.4	-152.8	0	0	123.1
77	S	33.8	Very low	33.5	Very low	105 Å²	105	141.7 Å²	141.7	73%	0.734	75%	0.748	S	S	*	*				178.6	128.9	97.8	43.6	0	0	0	0	116
78	K	31.3	Very low	33.2	Very low	186 Å²	186	142.4 Å²	142.4	81%	0.809	75%	0.75	S	S	*	*				35.5	127.4	129.9	-56.4	175.1	178.4	171.2	0	121.3
79	R	33	Very low	32.8	Very low	213 Å²	213	142.5 Å²	142.5	80%	0.804	75%	0.745	S	S	*	*				164.4	126.4	111.6	-89.8	-170.1	154.5	130.6	1.2	110.5
80	E	30.8	Very low	32.5	Very low	141 Å²	141	139.6 Å²	139.6	66%	0.659	73%	0.729	S	S	*	*				63.4	135.2	103.8	-60.6	179	118.8	0	0	112.8
81	Y	31.4	Very low	32.2	Very low	184 Å²	184	142.4 Å²	142.4	72%	0.722	73%	0.727	S	S	*	*			cis	-169	151.8	31.8	-156.2	-135.3	0	0	0	111.6
82	N	33	Very low	32.1	Very low	126 Å²	126	147 Å²	147	67%	0.674	73%	0.727	S	S	*	*			trans	59.8	161.7	155.6	-78.2	-6.4	0	0	0	121.5
83	S	29	Very low	31.9	Very low	86 Å²	86	147.9 Å²	147.9	60%	0.601	73%	0.729	S	S	*	*			cis	-173.1	148.2	-35.5	-159.2	0	0	0	0	109.4
84	K	32.7	Very low	31.3	Very low	180 Å²	180	146.1 Å²	146.1	78%	0.783	73%	0.731	S	S	*	*			trans	70	125.4	151.3	-81.5	170.5	-179.6	-178.4	0	122.1
85	Q	32.2	Very low	31	Very low	164 Å²	164	147.1 Å²	147.1	77%	0.766	73%	0.726	S	S	*	*			trans	100.7	114.1	150	-68	167.7	107.2	0	0	115.8
86	M	25.3	Very low	31.2	Very low	165 Å²	165	145.6 Å²	145.6	81%	0.813	73%	0.725	S	S	*	*				60.9	120.6	75.7	-81.4	172	56.6	0	0	110.9
87	T	29.2	Very low	31.7	Very low	111 Å²	111	142.2 Å²	142.2	68%	0.681	72%	0.72	S	S	*	*			cis	-162	139.3	5.6	38.7	0	0	0	0	109.6
88	H	32	Very low	32.4	Very low	171 Å²	171	140 Å²	140	79%	0.792	70%	0.704	S	S	*	*			trans	-168.8	164.4	135.4	-122.2	-95.1	0	0	0	111.5
89	F	28.5	Very low	33	Very low	142 Å²	142	135.6 Å²	135.6	62%	0.623	69%	0.686	S	S	*	*			trans	-153.5	163.5	-156.6	-157.2	-47.9	0	0	0	107.7	K207	F89-K207 WeakPolarHBondContact O-CE 3.44Å
90	D	30.3	Very low	33.7	Very low	74 Å²	74	132.4 Å²	132.4	40%	0.396	68%	0.68	S	S	.	*			trans	63.8	111.3	-179	-55.2	-0.2	0	0	0	118.3	K207	D90-K207 IonicContact OD1-NZ 3.23Å; D90-K207 PolarHBondContact OD1-NZ 3.24Å; D90-K207 WeakPolarHBondContact OD2-CE 3.49Å; D90-K207 VanDerWaalsContact OD2-CG 3.32Å; D90-K207 WeakPolarHBondContact OD2-CG 3.19Å; D90-K207 IonicContact OD2-NZ 3.05Å; D90-K207 PolarHBondContact OD2-NZ 3.04Å
91	K	31.1	Very low	34.7	Very low	172 Å²	172	131 Å²	131	75%	0.748	68%	0.677	S	S	*	*				165.3	101.4	103.5	-90.3	-175.5	176.3	-172.4	0	109.7
92	E	31.5	Very low	35.7	Very low	176 Å²	176	129.6 Å²	129.6	82%	0.822	67%	0.671	S	S	*	*			trans	-163.8	50.8	170.8	-118	159.5	-121	0	0	113.8
93	E	28.9	Very low	36.9	Very low	207 Å²	207	131.7 Å²	131.7	97%	0.967	67%	0.669	S	S	*	*	S	Bend	trans	-114.3	102.6	160.7	-70.7	-166.1	174.1	0	0	108.7
94	G	34.4	Very low	37.7	Very low	72 Å²	72	135.8 Å²	135.8	74%	0.742	67%	0.673	S	S	*	*	S	Bend	trans	163.1	-21.9	-177.8	0	0	0	0	0	116.1
95	E	33	Very low	38.5	Very low	135 Å²	135	131.1 Å²	131.1	63%	0.631	65%	0.654	S	S	*	*			trans	-99.7	-15.9	-169.7	-60.8	-163.7	152.1	0	0	115.2	S97 S98	E95-S97 VanDerWaalsContact C-N 3.25Å; E95-S97 PolarHBondContact O-N 3.08Å; E95-S97 VanDerWaalsContact O-N 3.15Å; E95-S98 PolarHBondContact O-N 3.26Å; E95-S98 PolarHBondContact O-OG 3.42Å
96	A	34.9	Very low	39.3	Very low	85 Å²	85	127 Å²	127	70%	0.702	64%	0.637	S	S	*	*	H	α-helix	trans	-57.4	-32.5	-176	0	0	0	0	0	114.3	S98	A96-S98 VanDerWaalsContact C-N 3.28Å; A96-S98 PolarHBondContact O-N 3.45Å
97	S	39.3	Very low	40.4	Very low	92 Å²	92	121.2 Å²	121.2	64%	0.643	61%	0.613	S	S	*	*	H	α-helix	trans	-72	-18.7	176.8	-171.9	0	0	0	0	113.7	E95	E95-S97 VanDerWaalsContact C-N 3.25Å; E95-S97 PolarHBondContact O-N 3.08Å; E95-S97 VanDerWaalsContact O-N 3.15Å
98	S	48.9	Very low	41.2	Very low	58 Å²	58	123.6 Å²	123.6	41%	0.406	61%	0.609	S	S	.	*	H	α-helix	trans	-93.3	-21.6	-177.6	73.5	0	0	0	0	113.3	E95 A96 R102	E95-S98 PolarHBondContact O-N 3.26Å; E95-S98 PolarHBondContact O-OG 3.42Å; A96-S98 VanDerWaalsContact C-N 3.28Å; A96-S98 PolarHBondContact O-N 3.45Å; S98-R102 WeakPolarHBondContact O-CB 3.49Å; S98-R102 PolarHBondContact O-N 3.04Å
99	E	44.2	Very low	41.7	Very low	94 Å²	94	124.4 Å²	124.4	44%	0.439	61%	0.605	S	S	.	*	H	α-helix	trans	-81.2	-32	-177.5	-163	60.8	-162.1	0	0	112.1	R102 R103	E99-R102 PolarHBondContact O-N 3.09Å; E99-R103 VanDerWaalsContact O-CG 3.32Å; E99-R103 WeakPolarHBondContact O-CG 3.48Å; E99-R103 PolarHBondContact O-N 2.8Å
100	E	47.5	Very low	42.5	Very low	145 Å²	145	124.6 Å²	124.6	68%	0.678	61%	0.608	S	S	*	*	H	α-helix	trans	-71.3	-41.5	170.4	-69.3	-163.7	134.3	0	0	112.2	R102 R103 Y104	E100-R102 VanDerWaalsContact C-N 3.31Å; E100-R102 PolarHBondContact O-N 3.15Å; E100-R103 WeakPolarHBondContact O-CB 3.07Å; E100-R103 PolarHBondContact O-N 2.65Å; E100-R103 VanDerWaalsContact O-N 3.11Å; E100-Y104 PolarHBondContact O-N 3.42Å
101	D	52.3	Low	43.3	Very low	111 Å²	111	129.5 Å²	129.5	59%	0.594	63%	0.626	S	S	*	*	H	α-helix	trans	-60.3	-40.7	170.8	-78.8	-18.1	0	0	0	111.2	Y104 E105	D101-Y104 PolarHBondContact O-N 3.01Å; D101-E105 WeakPolarHBondContact O-CB 3.05Å; D101-E105 PolarHBondContact O-N 3.15Å
102	R	52.5	Low	43.8	Very low	155 Å²	155	126.2 Å²	126.2	59%	0.585	62%	0.624	S	S	*	*	H	α-helix	trans	-61.4	-41.8	171.1	-104	-176.7	167.9	141.3	-0.2	112.9	S98 E99 E100 Y104 E105 N106	S98-R102 WeakPolarHBondContact O-CB 3.49Å; S98-R102 PolarHBondContact O-N 3.04Å; E99-R102 PolarHBondContact O-N 3.09Å; E100-R102 VanDerWaalsContact C-N 3.31Å; E100-R102 PolarHBondContact O-N 3.15Å; R102-Y104 VanDerWaalsContact C-N 3.34Å; R102-E105 PolarHBondContact O-N 3.38Å; R102-N106 WeakPolarHBondContact O-CB 3.25Å; R102-N106 PolarHBondContact O-N 3.41Å; R102-N106 PolarHBondContact O-ND2 3.2Å
103	R	57.6	Low	43.8	Very low	170 Å²	170	120.1 Å²	120.1	64%	0.642	61%	0.609	S	S	*	*	H	α-helix	trans	-65.3	-38	176	-77	174.6	-177.5	-165.7	1.8	111.8	E99 E100 S107	E99-R103 VanDerWaalsContact O-CG 3.32Å; E99-R103 WeakPolarHBondContact O-CG 3.48Å; E99-R103 PolarHBondContact O-N 2.8Å; E100-R103 WeakPolarHBondContact O-CB 3.07Å; E100-R103 PolarHBondContact O-N 2.65Å; E100-R103 VanDerWaalsContact O-N 3.11Å; R103-S107 VanDerWaalsContact O-CB 3.27Å; R103-S107 WeakPolarHBondContact O-CB 3.42Å; R103-S107 PolarHBondContact O-N 3.26Å
104	Y	45.2	Very low	44.1	Very low	173 Å²	173	116.2 Å²	116.2	68%	0.678	61%	0.605	S	S	*	*	H	α-helix	trans	-65.4	-48.1	175.4	-170.4	-101.2	0	0	0	111.4	E100 D101 R102 N106 S107 R108	E100-Y104 PolarHBondContact O-N 3.42Å; D101-Y104 PolarHBondContact O-N 3.01Å; R102-Y104 VanDerWaalsContact C-N 3.34Å; Y104-N106 PolarHBondContact O-N 3.18Å; Y104-S107 PolarHBondContact O-N 3.39Å; Y104-R108 WeakPolarHBondContact O-CB 3.27Å; Y104-R108 PolarHBondContact O-N 2.84Å
105	E	49.2	Very low	43.9	Very low	82 Å²	82	117 Å²	117	38%	0.383	60%	0.599	S	S	.	*	H	α-helix	trans	-72.2	-29.8	-179.4	-145.1	61.2	-156.7	0	0	112.7	D101 R102 R108 R109	D101-E105 WeakPolarHBondContact O-CB 3.05Å; D101-E105 PolarHBondContact O-N 3.15Å; R102-E105 PolarHBondContact O-N 3.38Å; E105-R108 WeakPolarHBondContact O-CB 3.42Å; E105-R108 WeakPolarHBondContact OE1-CD 3.48Å; E105-R108 IonicContact OE1-CZ 3.69Å; E105-R108 IonicContact OE1-NE 3.79Å; E105-R108 IonicContact OE1-NH1 3.62Å; E105-R108 PolarHBondContact OE1-NH1 3.25Å; E105-R108 IonicContact OE2-NH1 3.21Å; E105-R109 PolarHBondContact O-N 2.79Å
106	N	49.1	Very low	43.9	Very low	78 Å²	78	119.6 Å²	119.6	42%	0.417	61%	0.608	S	S	.	*	H	α-helix	trans	-69.6	-43	168.9	-74.2	-18.6	0	0	0	111.4	R102 Y104 R108 R109 E110	R102-N106 WeakPolarHBondContact O-CB 3.25Å; R102-N106 PolarHBondContact O-N 3.41Å; R102-N106 PolarHBondContact O-ND2 3.2Å; Y104-N106 PolarHBondContact O-N 3.18Å; N106-R108 PolarHBondContact O-N 3.23Å; N106-R109 CarbonylContact O-C 3.5Å; N106-R109 PolarHBondContact O-N 3.47Å; N106-E110 WeakPolarHBondContact O-CB 3.42Å; N106-E110 WeakPolarHBondContact O-CG 3.49Å; N106-E110 PolarHBondContact O-N 3.18Å
107	S	50	Low	43.8	Very low	43 Å²	43	125.9 Å²	125.9	30%	0.301	62%	0.615	S	S	.	*	H	α-helix	trans	-64.6	-30.3	175.2	-160	0	0	0	0	112.2	R103 Y104 K111	R103-S107 VanDerWaalsContact O-CB 3.27Å; R103-S107 WeakPolarHBondContact O-CB 3.42Å; R103-S107 PolarHBondContact O-N 3.26Å; Y104-S107 PolarHBondContact O-N 3.39Å; S107-K111 WeakPolarHBondContact O-CB 3.42Å; S107-K111 WeakPolarHBondContact O-CG 3.29Å; S107-K111 PolarHBondContact O-N 3.15Å; S107-K111 VanDerWaalsContact O-N 3.15Å
108	R	44.1	Very low	43.6	Very low	161 Å²	161	127 Å²	127	61%	0.608	62%	0.62	S	S	*	*	H	α-helix	trans	-67.3	-37.4	170.6	-168.2	-172.6	-174.2	174.9	5.1	112.4	Y104 E105 N106	Y104-R108 WeakPolarHBondContact O-CB 3.27Å; Y104-R108 PolarHBondContact O-N 2.84Å; E105-R108 WeakPolarHBondContact O-CB 3.42Å; E105-R108 WeakPolarHBondContact OE1-CD 3.48Å; E105-R108 IonicContact OE1-CZ 3.69Å; E105-R108 IonicContact OE1-NE 3.79Å; E105-R108 IonicContact OE1-NH1 3.62Å; E105-R108 PolarHBondContact OE1-NH1 3.25Å; E105-R108 IonicContact OE2-NH1 3.21Å; N106-R108 PolarHBondContact O-N 3.23Å
109	R	43.2	Very low	42.8	Very low	187 Å²	187	130.7 Å²	130.7	71%	0.706	64%	0.643	S	S	*	*	H	α-helix	trans	-74	-44.6	174.2	-78.7	179.4	167.5	-176.4	-3.2	112.6	E105 N106 K111 S112	E105-R109 PolarHBondContact O-N 2.79Å; N106-R109 CarbonylContact O-C 3.5Å; N106-R109 PolarHBondContact O-N 3.47Å; R109-K111 VanDerWaalsContact C-N 3.35Å; R109-K111 PolarHBondContact O-N 3.43Å; R109-S112 WeakPolarHBondContact O-CB 3.5Å; R109-S112 PolarHBondContact O-N 3.37Å; R109-S112 PolarHBondContact O-OG 3.09Å
110	E	46.1	Very low	42.3	Very low	146 Å²	146	129.4 Å²	129.4	68%	0.682	66%	0.655	S	S	*	*	H	α-helix	trans	-66.7	-33.6	-177.9	-72.5	175.3	173.6	0	0	112.6	N106 S112 G113	N106-E110 WeakPolarHBondContact O-CB 3.42Å; N106-E110 WeakPolarHBondContact O-CG 3.49Å; N106-E110 PolarHBondContact O-N 3.18Å; E110-S112 PolarHBondContact O-N 3.09Å; E110-G113 PolarHBondContact O-N 3.33Å
111	K	46.3	Very low	41.6	Very low	178 Å²	178	129.9 Å²	129.9	77%	0.774	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	0.1	172.4	-73.3	173.7	179.9	163.7	0	114.7	S107 R109	S107-K111 WeakPolarHBondContact O-CB 3.42Å; S107-K111 WeakPolarHBondContact O-CG 3.29Å; S107-K111 PolarHBondContact O-N 3.15Å; S107-K111 VanDerWaalsContact O-N 3.15Å; R109-K111 VanDerWaalsContact C-N 3.35Å; R109-K111 PolarHBondContact O-N 3.43Å
112	S	40.9	Very low	40.9	Very low	102 Å²	102	130 Å²	130	71%	0.713	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	2.1	176.6	73.9	0	0	0	0	114.3	R109 E110	R109-S112 WeakPolarHBondContact O-CB 3.5Å; R109-S112 PolarHBondContact O-N 3.37Å; R109-S112 PolarHBondContact O-OG 3.09Å; E110-S112 PolarHBondContact O-N 3.09Å
113	G	31.9	Very low	40.1	Very low	49 Å²	49	129.8 Å²	129.8	51%	0.505	68%	0.677	S	S	.	*	S	Bend	trans	-135.2	131.3	179	0	0	0	0	0	113.7	E110	E110-G113 PolarHBondContact O-N 3.33Å
114	S	34.8	Very low	39.2	Very low	124 Å²	124	127.7 Å²	127.7	87%	0.867	67%	0.673	S	S	*	*			trans	82.4	117.9	167.3	-156.7	0	0	0	0	119.4
115	S	31.4	Very low	39.9	Very low	88 Å²	88	122.6 Å²	122.6	62%	0.615	66%	0.66	S	S	*	*			trans	91.7	100.6	142.1	-149	0	0	0	0	121.7
116	K	32.6	Very low	40	Very low	190 Å²	190	125 Å²	125	83%	0.826	68%	0.675	S	S	*	*			trans	67.1	51.7	130.5	-63.4	-178	178.6	178.1	0	121
117	Y	32.2	Very low	39.7	Very low	218 Å²	218	128 Å²	128	86%	0.855	69%	0.686	S	S	*	*			trans	-138.6	143.9	147.5	-73.2	-78.2	0	0	0	111.3
118	P	35	Very low	39.8	Very low	116 Å²	116	130 Å²	130	75%	0.753	69%	0.691	S	S	*	*			trans	-72.2	138.4	-179.4	29.5	-33.8	0	0	0	111.1	G120	P118-G120 PolarHBondContact O-N 2.91Å; P118-G120 VanDerWaalsContact O-N 3.16Å
119	P	33.1	Very low	40.4	Very low	135 Å²	135	127.5 Å²	127.5	88%	0.877	69%	0.686	S	S	*	*			trans	-77	106.2	-172.6	29.8	-34.4	0	0	0	112
120	G	34	Very low	41.2	Very low	67 Å²	67	122.9 Å²	122.9	69%	0.691	67%	0.672	S	S	*	*			trans	-89.2	106.5	168.2	0	0	0	0	0	111.8	P118 T122	P118-G120 PolarHBondContact O-N 2.91Å; P118-G120 VanDerWaalsContact O-N 3.16Å; G120-T122 PolarHBondContact O-N 3.08Å
121	N	31.8	Very low	41.5	Very low	155 Å²	155	118.9 Å²	118.9	83%	0.829	65%	0.651	S	S	*	*			trans	23.2	85.5	161.5	-95.8	5.2	0	0	0	117.8
122	T	37.4	Very low	42.2	Very low	114 Å²	114	117.4 Å²	117.4	70%	0.699	64%	0.641	S	S	*	*			trans	-126.5	61.6	159.3	61.1	0	0	0	0	111	G120 F124	G120-T122 PolarHBondContact O-N 3.08Å; T122-F124 VanDerWaalsContact C-N 3.31Å; T122-F124 PolarHBondContact O-N 3.27Å; T122-F124 VanDerWaalsContact O-N 3.09Å
123	N	35.8	Very low	43.5	Very low	150 Å²	150	116 Å²	116	80%	0.802	63%	0.626	S	S	*	*			trans	-75.8	87.6	163.3	-77.7	-17.5	0	0	0	108.2	T125	N123-T125 PolarHBondContact O-N 3.16Å
124	F	40	Very low	45.2	Very low	126 Å²	126	119.6 Å²	119.6	55%	0.553	62%	0.624	S	S	*	*			trans	-58.2	132.7	160.6	-76.3	-77	0	0	0	108.3	T122 E128	T122-F124 VanDerWaalsContact C-N 3.31Å; T122-F124 PolarHBondContact O-N 3.27Å; T122-F124 VanDerWaalsContact O-N 3.09Å; F124-E128 HydrophobicContact CD1-CB 4.43Å
125	T	58.8	Low	46.6	Very low	66 Å²	66	114.3 Å²	114.3	41%	0.405	59%	0.586	S	S	.	*			trans	-67.7	153.2	177.6	58.8	0	0	0	0	110.5	N123 E127 E128 H129	N123-T125 PolarHBondContact O-N 3.16Å; T125-E127 PolarHBondContact O-N 2.76Å; T125-E128 PolarHBondContact N-OE2 3.38Å; T125-E128 PolarHBondContact O-N 3Å; T125-E128 VanDerWaalsContact OG1-CG 3.27Å; T125-E128 WeakPolarHBondContact OG1-CG 3.46Å; T125-E128 PolarHBondContact OG1-N 3.49Å; T125-E128 VanDerWaalsContact OG1-N 3.09Å; T125-E128 PolarHBondContact OG1-OE2 2.87Å; T125-H129 PolarHBondContact O-N 3.35Å
126	L	52	Low	48.4	Very low	132 Å²	132	115.5 Å²	115.5	69%	0.691	58%	0.581	S	S	*	*	H	α-helix	trans	-56.4	-30.8	170.8	-176.9	63.5	0	0	0	111.1	H129 Q130	L126-H129 PolarHBondContact O-N 2.8Å; L126-Q130 WeakPolarHBondContact O-CG 3.35Å; L126-Q130 PolarHBondContact O-N 3.24Å
127	E	41.6	Very low	50.3	Low	142 Å²	142	111.8 Å²	111.8	66%	0.664	57%	0.567	S	S	*	*	H	α-helix	trans	-68.2	-42.9	177.9	-62.2	-179.2	147.5	0	0	112.4	T125 H129 Q130 Y131	T125-E127 PolarHBondContact O-N 2.76Å; E127-H129 VanDerWaalsContact C-N 3.33Å; E127-H129 PolarHBondContact O-N 2.91Å; E127-Q130 PolarHBondContact O-N 2.96Å; E127-Y131 WeakPolarHBondContact O-CB 3.42Å; E127-Y131 PolarHBondContact O-N 2.91Å
128	E	53.5	Low	51.8	Low	84 Å²	84	103.6 Å²	103.6	39%	0.393	53%	0.534	S	S	.	.	H	α-helix	trans	-62.8	-38.2	173.5	-77.2	166.8	111.5	0	0	112.4	F124 T125 Y131 R132	F124-E128 HydrophobicContact CD1-CB 4.43Å; T125-E128 PolarHBondContact N-OE2 3.38Å; T125-E128 PolarHBondContact O-N 3Å; T125-E128 VanDerWaalsContact OG1-CG 3.27Å; T125-E128 WeakPolarHBondContact OG1-CG 3.46Å; T125-E128 PolarHBondContact OG1-N 3.49Å; T125-E128 VanDerWaalsContact OG1-N 3.09Å; T125-E128 PolarHBondContact OG1-OE2 2.87Å; E128-Y131 PolarHBondContact O-N 3.32Å; E128-R132 WeakPolarHBondContact O-CB 3.27Å; E128-R132 PolarHBondContact O-N 2.82Å
129	H	55.4	Low	53.3	Low	109 Å²	109	104.1 Å²	104.1	51%	0.505	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-44.1	174.5	-168.1	-68.3	0	0	0	111.3	T125 L126 E127 Y131 R132 N133	T125-H129 PolarHBondContact O-N 3.35Å; L126-H129 PolarHBondContact O-N 2.8Å; E127-H129 VanDerWaalsContact C-N 3.33Å; E127-H129 PolarHBondContact O-N 2.91Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; H129-Y131 PolarHBondContact O-N 3.26Å; H129-R132 PolarHBondContact O-N 3.07Å; H129-N133 PolarHBondContact CE1-OD1 2.91Å; H129-N133 PolarHBondContact ND1-OD1 3.45Å; H129-N133 PolarHBondContact O-N 3.18Å; H129-N133 PolarHBondContact O-OD1 3.09Å
130	Q	61.2	Low	55.3	Low	90 Å²	90	101.4 Å²	101.4	42%	0.421	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-38	175.1	-72.5	179.7	13.4	0	0	112.5	L126 E127 N133 R134	L126-Q130 WeakPolarHBondContact O-CG 3.35Å; L126-Q130 PolarHBondContact O-N 3.24Å; E127-Q130 PolarHBondContact O-N 2.96Å; Q130-N133 PolarHBondContact O-N 2.77Å; Q130-R134 WeakPolarHBondContact O-CG 3.2Å; Q130-R134 PolarHBondContact O-N 3.11Å; Q130-R134 VanDerWaalsContact O-N 3.09Å
131	Y	52	Low	57.1	Low	62 Å²	62	103.6 Å²	103.6	24%	0.243	49%	0.485	C	S	.	.	H	α-helix	trans	-63.3	-48.5	175.3	179.8	-106.8	0	0	0	111.1	E127 E128 H129 N133 R134 L135 L868	E127-Y131 WeakPolarHBondContact O-CB 3.42Å; E127-Y131 PolarHBondContact O-N 2.91Å; E128-Y131 PolarHBondContact O-N 3.32Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; H129-Y131 PolarHBondContact O-N 3.26Å; Y131-N133 PolarHBondContact O-N 3.49Å; Y131-R134 PolarHBondContact O-N 2.86Å; Y131-L135 HydrophobicContact CD1-CD1 3.99Å; Y131-L135 HydrophobicContact CD1-CG 4.43Å; Y131-L135 HydrophobicContact CE1-CD1 3.41Å; Y131-L135 VanDerWaalsContact CE1-CD1 3.41Å; Y131-L135 HydrophobicContact CE1-CG 4.07Å; Y131-L135 HydrophobicContact CE2-CD2 4.3Å; Y131-L135 HydrophobicContact CE2-CG 4.39Å; Y131-L135 WeakPolarHBondContact O-CG 3.14Å; Y131-L135 PolarHBondContact O-N 3.04Å; Y131-L868 HydrophobicContact CE1-CD1 4.45Å
132	R	61.1	Low	58.6	Low	147 Å²	147	99.8 Å²	99.8	56%	0.555	46%	0.459	S	S	*	.	H	α-helix	trans	-58.6	-42.9	175.4	-79.8	-177.5	165.8	-176.1	-3.4	112.9	E128 H129 L135 H136	E128-R132 WeakPolarHBondContact O-CB 3.27Å; E128-R132 PolarHBondContact O-N 2.82Å; H129-R132 PolarHBondContact O-N 3.07Å; R132-L135 PolarHBondContact O-N 3.42Å; R132-H136 PolarHBondContact O-N 3.18Å
133	N	68.4	Low	60.3	Low	73 Å²	73	97 Å²	97	39%	0.39	44%	0.439	S	S	.	.	H	α-helix	trans	-60.3	-47.2	176.1	-74.8	11	0	0	0	111.8	H129 Q130 Y131 L135 H136 E137	H129-N133 PolarHBondContact CE1-OD1 2.91Å; H129-N133 PolarHBondContact ND1-OD1 3.45Å; H129-N133 PolarHBondContact O-N 3.18Å; H129-N133 PolarHBondContact O-OD1 3.09Å; Q130-N133 PolarHBondContact O-N 2.77Å; Y131-N133 PolarHBondContact O-N 3.49Å; N133-L135 VanDerWaalsContact C-N 3.29Å; N133-L135 PolarHBondContact O-N 3.04Å; N133-H136 PolarHBondContact O-N 2.89Å; N133-H136 VanDerWaalsContact O-N 3.08Å; N133-E137 WeakPolarHBondContact O-CG 3.47Å; N133-E137 PolarHBondContact O-N 2.91Å
134	R	66.5	Low	62.1	Low	123 Å²	123	95.7 Å²	95.7	46%	0.464	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-36.3	176.9	-71.6	-174.6	-65.5	-104.8	6.2	112.8	Q130 Y131 R138	Q130-R134 WeakPolarHBondContact O-CG 3.2Å; Q130-R134 PolarHBondContact O-N 3.11Å; Q130-R134 VanDerWaalsContact O-N 3.09Å; Y131-R134 PolarHBondContact O-N 2.86Å; R134-R138 WeakPolarHBondContact O-CG 3.4Å; R134-R138 PolarHBondContact O-N 3.25Å
135	L	64.1	Low	63.4	Low	13 Å²	13	94 Å²	94	7%	0.068	42%	0.416	C	S	.	.	H	α-helix	trans	-67.4	-39.8	173.6	-68.6	-173.9	0	0	0	112.1	Y131 R132 N133 R138 Y139 W834	Y131-L135 HydrophobicContact CD1-CD1 3.99Å; Y131-L135 HydrophobicContact CD1-CG 4.43Å; Y131-L135 HydrophobicContact CE1-CD1 3.41Å; Y131-L135 VanDerWaalsContact CE1-CD1 3.41Å; Y131-L135 HydrophobicContact CE1-CG 4.07Å; Y131-L135 HydrophobicContact CE2-CD2 4.3Å; Y131-L135 HydrophobicContact CE2-CG 4.39Å; Y131-L135 WeakPolarHBondContact O-CG 3.14Å; Y131-L135 PolarHBondContact O-N 3.04Å; R132-L135 PolarHBondContact O-N 3.42Å; N133-L135 VanDerWaalsContact C-N 3.29Å; N133-L135 PolarHBondContact O-N 3.04Å; L135-R138 PolarHBondContact O-N 2.97Å; L135-Y139 PolarHBondContact O-N 2.88Å; L135-W834 HydrophobicContact CB-CH2 4.02Å; L135-W834 HydrophobicContact CD2-CH2 3.64Å; L135-W834 HydrophobicContact CD2-CZ3 3.77Å; L135-W834 HydrophobicContact CG-CH2 4.28Å
136	H	69.2	Low	63.8	Low	114 Å²	114	94.7 Å²	94.7	53%	0.528	41%	0.414	S	S	.	.	H	α-helix	trans	-68.6	-43.3	179.2	-169.9	21.3	0	0	0	112.1	R132 N133 R138 Y139 E140	R132-H136 PolarHBondContact O-N 3.18Å; N133-H136 PolarHBondContact O-N 2.89Å; N133-H136 VanDerWaalsContact O-N 3.08Å; H136-R138 VanDerWaalsContact C-N 3.3Å; H136-R138 PolarHBondContact O-N 3.27Å; H136-Y139 WeakPolarHBondContact O-CB 3.48Å; H136-Y139 PolarHBondContact O-N 3.21Å; H136-Y139 VanDerWaalsContact O-N 3.09Å; H136-E140 PolarHBondContact O-N 3.41Å
137	E	72.7	Confident	64.8	Low	111 Å²	111	94.2 Å²	94.2	52%	0.519	41%	0.406	S	S	.	.	H	α-helix	trans	-58.4	-40.3	173.8	-72.9	169.5	-167.4	0	0	112.2	N133 R141	N133-E137 WeakPolarHBondContact O-CG 3.47Å; N133-E137 PolarHBondContact O-N 2.91Å; E137-R141 WeakPolarHBondContact O-CB 3.49Å; E137-R141 PolarHBondContact O-N 2.92Å
138	R	65.3	Low	66.4	Low	46 Å²	46	94.3 Å²	94.3	17%	0.174	40%	0.4	C	S	.	.	H	α-helix	trans	-64.5	-41.3	173.2	-77	178	175	-169.8	-3.1	112.4	R134 L135 H136 R141 R142 W834 Y864	R134-R138 WeakPolarHBondContact O-CG 3.4Å; R134-R138 PolarHBondContact O-N 3.25Å; L135-R138 PolarHBondContact O-N 2.97Å; H136-R138 VanDerWaalsContact C-N 3.3Å; H136-R138 PolarHBondContact O-N 3.27Å; R138-R141 PolarHBondContact O-N 2.99Å; R138-R142 PolarHBondContact O-N 3.38Å; R138-R142 VanDerWaalsContact O-N 3.11Å; R138-W834 HydrophobicContact CB-CZ2 4.02Å; R138-Y864 PolarHBondContact NH1-OH 3.15Å; R138-Y864 VanDerWaalsContact NH1-OH 3.1Å
139	Y	65.8	Low	67	Low	127 Å²	127	94.9 Å²	94.9	50%	0.498	41%	0.405	S	S	.	.	H	α-helix	trans	-61.3	-50.4	175.8	-178.7	-91.1	0	0	0	111.2	L135 H136 R141 R142 E143	L135-Y139 PolarHBondContact O-N 2.88Å; H136-Y139 WeakPolarHBondContact O-CB 3.48Å; H136-Y139 PolarHBondContact O-N 3.21Å; H136-Y139 VanDerWaalsContact O-N 3.09Å; Y139-R141 VanDerWaalsContact C-N 3.33Å; Y139-R141 PolarHBondContact O-N 2.88Å; Y139-R142 WeakPolarHBondContact O-CB 3.27Å; Y139-R142 PolarHBondContact O-N 2.9Å; Y139-R142 VanDerWaalsContact O-N 3.17Å; Y139-E143 HydrophobicContact CD1-CG 4.22Å; Y139-E143 HydrophobicContact CE1-CG 3.76Å; Y139-E143 PolarHBondContact O-N 3.48Å
140	E	74.5	Confident	67.5	Low	79 Å²	79	96.2 Å²	96.2	37%	0.369	41%	0.405	S	S	.	.	H	α-helix	trans	-61.7	-39.2	177	-65.9	-166.1	142.6	0	0	112.9	H136 R142 E143 R144	H136-E140 PolarHBondContact O-N 3.41Å; E140-R142 VanDerWaalsContact C-N 3.27Å; E140-R142 PolarHBondContact O-N 3.15Å; E140-E143 PolarHBondContact O-N 3.41Å; E140-R144 VanDerWaalsContact CB-NH1 3.31Å; E140-R144 VanDerWaalsContact O-CG 3.3Å; E140-R144 WeakPolarHBondContact O-CG 3.27Å; E140-R144 PolarHBondContact O-N 3.27Å; E140-R144 IonicContact OE1-NH2 3.77Å; E140-R144 IonicContact OE2-CZ 3.6Å; E140-R144 IonicContact OE2-NH1 2.65Å; E140-R144 PolarHBondContact OE2-NH1 3.46Å; E140-R144 IonicContact OE2-NH2 3.43Å; E140-R144 PolarHBondContact OE2-NH2 2.88Å
141	R	72.6	Confident	68	Low	113 Å²	113	95.2 Å²	95.2	43%	0.426	40%	0.403	S	S	.	.	H	α-helix	trans	-58.7	-41.4	176.6	-169.5	-172.7	-66.1	-179.9	-5.7	110.8	E137 R138 Y139 E145 E993	E137-R141 WeakPolarHBondContact O-CB 3.49Å; E137-R141 PolarHBondContact O-N 2.92Å; R138-R141 PolarHBondContact O-N 2.99Å; Y139-R141 VanDerWaalsContact C-N 3.33Å; Y139-R141 PolarHBondContact O-N 2.88Å; R141-E145 PolarHBondContact O-N 3.43Å; R141-E145 VanDerWaalsContact O-N 3.15Å; R141-E993 IonicContact CZ-OE1 3.53Å; R141-E993 IonicContact NH1-OE1 3.43Å; R141-E993 PolarHBondContact NH1-OE1 2.9Å; R141-E993 IonicContact NH2-OE1 2.82Å; R141-E993 PolarHBondContact NH2-OE1 2.81Å
142	R	63.3	Low	68.7	Low	74 Å²	74	97.8 Å²	97.8	28%	0.279	42%	0.421	S	S	.	.	H	α-helix	trans	-65	-46.7	173.9	166.3	-180	-83.2	177.3	-13.5	112.4	R138 Y139 E140 R144 E145 K146 N833	R138-R142 PolarHBondContact O-N 3.38Å; R138-R142 VanDerWaalsContact O-N 3.11Å; Y139-R142 WeakPolarHBondContact O-CB 3.27Å; Y139-R142 PolarHBondContact O-N 2.9Å; Y139-R142 VanDerWaalsContact O-N 3.17Å; E140-R142 VanDerWaalsContact C-N 3.27Å; E140-R142 PolarHBondContact O-N 3.15Å; R142-R144 VanDerWaalsContact C-N 3.33Å; R142-R144 PolarHBondContact O-N 3.14Å; R142-E145 PolarHBondContact O-N 3.45Å; R142-E145 VanDerWaalsContact O-N 3.16Å; R142-K146 HydrophobicContact CG-CG 4.44Å; R142-K146 PolarHBondContact O-N 2.84Å; R142-N833 VanDerWaalsContact NH2-CA 3.32Å; R142-N833 PolarHBondContact NH2-O 2.94Å
143	E	72.2	Confident	68.7	Low	57 Å²	57	96.8 Å²	96.8	27%	0.266	43%	0.425	S	S	.	.	H	α-helix	trans	-66.4	-35.2	-179.5	-64.5	-48.2	117	0	0	112.2	Y139 E140 K146 K147	Y139-E143 HydrophobicContact CD1-CG 4.22Å; Y139-E143 HydrophobicContact CE1-CG 3.76Å; Y139-E143 PolarHBondContact O-N 3.48Å; E140-E143 PolarHBondContact O-N 3.41Å; E143-K146 WeakPolarHBondContact OE1-CD 3.16Å; E143-K146 WeakPolarHBondContact OE1-CE 3.46Å; E143-K146 IonicContact OE1-NZ 3.3Å; E143-K146 PolarHBondContact OE1-NZ 3.01Å; E143-K146 WeakPolarHBondContact OE2-CD 3.44Å; E143-K146 IonicContact OE2-NZ 2.68Å; E143-K146 PolarHBondContact OE2-NZ 3.46Å; E143-K147 WeakPolarHBondContact O-CB 3.44Å; E143-K147 PolarHBondContact O-N 3.18Å
144	R	74.7	Confident	67.8	Low	121 Å²	121	99.3 Å²	99.3	46%	0.457	44%	0.439	S	S	.	.	H	α-helix	trans	-60.1	-43.8	169.4	-70.6	174.5	-170	112.3	4.2	112	E140 R142 K147 R148	E140-R144 VanDerWaalsContact CB-NH1 3.31Å; E140-R144 VanDerWaalsContact O-CG 3.3Å; E140-R144 WeakPolarHBondContact O-CG 3.27Å; E140-R144 PolarHBondContact O-N 3.27Å; E140-R144 IonicContact OE1-NH2 3.77Å; E140-R144 IonicContact OE2-CZ 3.6Å; E140-R144 IonicContact OE2-NH1 2.65Å; E140-R144 PolarHBondContact OE2-NH1 3.46Å; E140-R144 IonicContact OE2-NH2 3.43Å; E140-R144 PolarHBondContact OE2-NH2 2.88Å; R142-R144 VanDerWaalsContact C-N 3.33Å; R142-R144 PolarHBondContact O-N 3.14Å; R144-K147 PolarHBondContact O-N 3.35Å; R144-R148 WeakPolarHBondContact O-CG 3.21Å; R144-R148 PolarHBondContact O-N 2.75Å
145	E	66.1	Low	66.9	Low	92 Å²	92	97.6 Å²	97.6	43%	0.43	45%	0.446	S	S	.	.	H	α-helix	trans	-74.5	-39.5	-178.6	-163.4	63	-166.6	0	0	112.4	R141 R142 K147 R148 I149	R141-E145 PolarHBondContact O-N 3.43Å; R141-E145 VanDerWaalsContact O-N 3.15Å; R142-E145 PolarHBondContact O-N 3.45Å; R142-E145 VanDerWaalsContact O-N 3.16Å; E145-K147 PolarHBondContact O-N 3.48Å; E145-R148 PolarHBondContact O-N 3.4Å; E145-R148 VanDerWaalsContact O-N 3.15Å; E145-R148 IonicContact OE2-NH1 3.87Å; E145-R148 PolarHBondContact OE2-NH1 3.11Å; E145-R148 VanDerWaalsContact OE2-NH1 3.07Å; E145-I149 HydrophobicContact CG-CD1 4.45Å; E145-I149 WeakPolarHBondContact O-CG1 3.48Å; E145-I149 PolarHBondContact O-N 2.95Å
146	K	68.8	Low	65.6	Low	80 Å²	80	105.1 Å²	105.1	35%	0.348	48%	0.481	S	S	.	.	H	α-helix	trans	-53.9	-43.8	168.1	-78.1	-178.2	-177.9	171	0	111.4	R142 E143 I149 R150	R142-K146 HydrophobicContact CG-CG 4.44Å; R142-K146 PolarHBondContact O-N 2.84Å; E143-K146 WeakPolarHBondContact OE1-CD 3.16Å; E143-K146 WeakPolarHBondContact OE1-CE 3.46Å; E143-K146 IonicContact OE1-NZ 3.3Å; E143-K146 PolarHBondContact OE1-NZ 3.01Å; E143-K146 WeakPolarHBondContact OE2-CD 3.44Å; E143-K146 IonicContact OE2-NZ 2.68Å; E143-K146 PolarHBondContact OE2-NZ 3.46Å; K146-I149 PolarHBondContact O-N 2.97Å; K146-R150 PolarHBondContact O-N 3.31Å
147	K	73.2	Confident	64	Low	122 Å²	122	104.8 Å²	104.8	53%	0.53	49%	0.489	S	S	.	.	H	α-helix	trans	-62	-47.8	176.3	-178.9	173.4	178.3	176.8	0	111	E143 R144 E145 I149 R150 D151	E143-K147 WeakPolarHBondContact O-CB 3.44Å; E143-K147 PolarHBondContact O-N 3.18Å; R144-K147 PolarHBondContact O-N 3.35Å; E145-K147 PolarHBondContact O-N 3.48Å; K147-I149 VanDerWaalsContact C-N 3.31Å; K147-I149 PolarHBondContact O-N 2.91Å; K147-R150 WeakPolarHBondContact O-CB 3.43Å; K147-R150 PolarHBondContact O-N 3.49Å; K147-R150 VanDerWaalsContact O-N 3.1Å; K147-D151 WeakPolarHBondContact CE-OD2 3.46Å; K147-D151 WeakPolarHBondContact CG-OD2 3.1Å; K147-D151 WeakPolarHBondContact O-CB 3.21Å; K147-D151 PolarHBondContact O-N 3.32Å
148	R	74.6	Confident	62.1	Low	143 Å²	143	108.6 Å²	108.6	54%	0.54	51%	0.508	S	S	.	.	H	α-helix	trans	-61.3	-36.1	177.5	-68.2	172.7	85.9	-152.6	6.3	113.4	R144 E145 N152	R144-R148 WeakPolarHBondContact O-CG 3.21Å; R144-R148 PolarHBondContact O-N 2.75Å; E145-R148 PolarHBondContact O-N 3.4Å; E145-R148 VanDerWaalsContact O-N 3.15Å; E145-R148 IonicContact OE2-NH1 3.87Å; E145-R148 PolarHBondContact OE2-NH1 3.11Å; E145-R148 VanDerWaalsContact OE2-NH1 3.07Å; R148-N152 WeakPolarHBondContact O-CB 3.45Å; R148-N152 VanDerWaalsContact O-CG 3.26Å; R148-N152 PolarHBondContact O-N 3.49Å
149	I	65.2	Low	60.7	Low	96 Å²	96	114.9 Å²	114.9	49%	0.492	54%	0.539	S	S	.	.	H	α-helix	trans	-66.2	-42.8	174.1	-67.2	165.8	0	0	0	110.5	E145 K146 K147 N152 I153	E145-I149 HydrophobicContact CG-CD1 4.45Å; E145-I149 WeakPolarHBondContact O-CG1 3.48Å; E145-I149 PolarHBondContact O-N 2.95Å; K146-I149 PolarHBondContact O-N 2.97Å; K147-I149 VanDerWaalsContact C-N 3.31Å; K147-I149 PolarHBondContact O-N 2.91Å; I149-N152 PolarHBondContact O-N 2.86Å; I149-I153 HydrophobicContact CG2-CD1 3.98Å; I149-I153 WeakPolarHBondContact O-CD1 3.19Å; I149-I153 VanDerWaalsContact O-CG1 3.3Å; I149-I153 WeakPolarHBondContact O-CG1 3.46Å; I149-I153 PolarHBondContact O-N 3.43Å; I149-I153 VanDerWaalsContact O-N 3.13Å
150	R	66.8	Low	59	Low	137 Å²	137	112.5 Å²	112.5	52%	0.517	55%	0.553	S	S	.	*	H	α-helix	trans	-62.4	-53.5	175.4	-168.4	-175.4	-59.9	150.9	0.8	111.3	K146 K147 N152 I153 D154	K146-R150 PolarHBondContact O-N 3.31Å; K147-R150 WeakPolarHBondContact O-CB 3.43Å; K147-R150 PolarHBondContact O-N 3.49Å; K147-R150 VanDerWaalsContact O-N 3.1Å; R150-N152 PolarHBondContact O-N 3.49Å; R150-I153 PolarHBondContact O-N 2.93Å; R150-D154 PolarHBondContact O-N 3.32Å; R150-D154 VanDerWaalsContact O-N 3.11Å
151	D	71.6	Confident	57.1	Low	69 Å²	69	114.5 Å²	114.5	37%	0.369	58%	0.576	S	S	.	*	H	α-helix	trans	-55.6	-37.4	178.8	-61	-10.3	0	0	0	111.5	K147 S155	K147-D151 WeakPolarHBondContact CE-OD2 3.46Å; K147-D151 WeakPolarHBondContact CG-OD2 3.1Å; K147-D151 WeakPolarHBondContact O-CB 3.21Å; K147-D151 PolarHBondContact O-N 3.32Å; D151-S155 WeakPolarHBondContact O-CB 2.82Å; D151-S155 PolarHBondContact O-N 2.95Å; D151-S155 PolarHBondContact O-OG 3.46Å
152	N	67.1	Low	55.1	Low	116 Å²	116	117.8 Å²	117.8	62%	0.62	60%	0.596	S	S	*	*	H	α-helix	trans	-71.8	-33.3	175.7	-80	-6.3	0	0	0	114	R148 I149 R150 D154 S155	R148-N152 WeakPolarHBondContact O-CB 3.45Å; R148-N152 VanDerWaalsContact O-CG 3.26Å; R148-N152 PolarHBondContact O-N 3.49Å; I149-N152 PolarHBondContact O-N 2.86Å; R150-N152 PolarHBondContact O-N 3.49Å; N152-D154 VanDerWaalsContact C-N 3.35Å; N152-S155 PolarHBondContact O-N 2.86Å
153	I	60.2	Low	53.6	Low	126 Å²	126	122.8 Å²	122.8	65%	0.646	62%	0.623	S	S	*	*	H	α-helix	trans	-69.4	-37	177	-71.2	163.8	0	0	0	110.4	I149 R150 S155	I149-I153 HydrophobicContact CG2-CD1 3.98Å; I149-I153 WeakPolarHBondContact O-CD1 3.19Å; I149-I153 VanDerWaalsContact O-CG1 3.3Å; I149-I153 WeakPolarHBondContact O-CG1 3.46Å; I149-I153 PolarHBondContact O-N 3.43Å; I149-I153 VanDerWaalsContact O-N 3.13Å; R150-I153 PolarHBondContact O-N 2.93Å; I153-S155 PolarHBondContact O-N 2.95Å
154	D	50.3	Low	51.7	Low	127 Å²	127	128 Å²	128	68%	0.679	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-3	179.7	-61.2	-33.4	0	0	0	113.3	R150 N152	R150-D154 PolarHBondContact O-N 3.32Å; R150-D154 VanDerWaalsContact O-N 3.11Å; N152-D154 VanDerWaalsContact C-N 3.35Å
155	S	45.8	Very low	49.4	Very low	86 Å²	86	130.9 Å²	130.9	60%	0.601	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-6.5	-172.2	-68	0	0	0	0	116.2	D151 N152 I153 P157	D151-S155 WeakPolarHBondContact O-CB 2.82Å; D151-S155 PolarHBondContact O-N 2.95Å; D151-S155 PolarHBondContact O-OG 3.46Å; N152-S155 PolarHBondContact O-N 2.86Å; I153-S155 PolarHBondContact O-N 2.95Å; S155-P157 WeakPolarHBondContact O-CD 3.27Å
156	E	36.9	Very low	47.8	Very low	172 Å²	172	137.8 Å²	137.8	80%	0.804	69%	0.687	S	S	*	*			trans	-84.3	119.6	177.9	-77.5	-151.2	157.9	0	0	112.7	M158	E156-M158 PolarHBondContact O-N 3.16Å; E156-M158 VanDerWaalsContact O-N 3.15Å
157	P	36	Very low	45.8	Very low	107 Å²	107	139.4 Å²	139.4	70%	0.695	71%	0.709	S	S	*	*			trans	-77.6	103.6	176.6	31.1	-33	0	0	0	110.8	S155 H159	S155-P157 WeakPolarHBondContact O-CD 3.27Å; P157-H159 PolarHBondContact O-N 2.9Å
158	M	33	Very low	43.8	Very low	190 Å²	190	140.5 Å²	140.5	94%	0.936	73%	0.725	S	S	*	*			trans	-51.8	94.1	170.5	-75.4	-80.2	-175	0	0	112	E156 G160	E156-M158 PolarHBondContact O-N 3.16Å; E156-M158 VanDerWaalsContact O-N 3.15Å; M158-G160 PolarHBondContact O-N 3.43Å
159	H	36.1	Very low	41.6	Very low	178 Å²	178	144 Å²	144	82%	0.824	74%	0.74	S	S	*	*			trans	-74	91.9	167.7	-92.5	50.3	0	0	0	109.2	P157 S161	P157-H159 PolarHBondContact O-N 2.9Å; H159-S161 PolarHBondContact O-N 3.13Å
160	G	30.3	Very low	39.8	Very low	77 Å²	77	150 Å²	150	79%	0.794	76%	0.758	S	S	*	*			trans	-72.8	120.8	179.8	0	0	0	0	0	112.7	M158	M158-G160 PolarHBondContact O-N 3.43Å
161	S	33.7	Very low	38.2	Very low	121 Å²	121	152.4 Å²	152.4	85%	0.846	77%	0.772	S	S	*	*			trans	-100.3	92.1	163.2	46.4	0	0	0	0	110.2	H159	H159-S161 PolarHBondContact O-N 3.13Å
162	H	31.2	Very low	36.2	Very low	183 Å²	183	156 Å²	156	85%	0.847	79%	0.787	S	S	*	*			trans	-95.4	158.5	161.4	-94.7	-48.5	0	0	0	110.4
163	Q	32.8	Very low	34.6	Very low	178 Å²	178	157.3 Å²	157.3	83%	0.832	79%	0.794	S	S	*	*			trans	75.9	132.2	-173.3	-47.1	179	9	0	0	112.6
164	H	31.9	Very low	33.2	Very low	167 Å²	167	155.4 Å²	155.4	77%	0.773	79%	0.792	S	S	*	*			cis	-146.6	135.3	17.1	-141.3	-66.8	0	0	0	111.7
165	E	26.9	Very low	32.4	Very low	182 Å²	182	155.4 Å²	155.4	85%	0.85	80%	0.797	S	S	*	*			trans	-69.9	128.2	159.9	-73.3	-176.5	125.5	0	0	109.5
166	R	31	Very low	31.7	Very low	236 Å²	236	155.8 Å²	155.8	89%	0.891	80%	0.799	S	S	*	*			trans	-171.1	132.8	132.8	-109	174.5	-175.6	-174.6	1.8	112.6
167	S	27.3	Very low	31.5	Very low	115 Å²	115	152.2 Å²	152.2	80%	0.804	79%	0.793	S	S	*	*			trans	-70.7	130.7	170.6	52.7	0	0	0	0	112.7
168	V	31.1	Very low	31.3	Very low	144 Å²	144	151.8 Å²	151.8	87%	0.873	79%	0.793	S	S	*	*			trans	-146.3	145.4	152.2	-165.1	0	0	0	0	110.7
169	Y	29.3	Very low	31.3	Very low	218 Å²	218	149.3 Å²	149.3	86%	0.855	78%	0.779	S	S	*	*			trans	-71.9	164.7	175.5	-99.2	-116.8	0	0	0	114.4
170	Y	26.3	Very low	31.1	Very low	221 Å²	221	149.8 Å²	149.8	87%	0.867	77%	0.774	S	S	*	*			trans	-42.4	137.8	165.5	-77.3	-100.5	0	0	0	115.2
171	K	33	Very low	31.3	Very low	187 Å²	187	153.4 Å²	153.4	81%	0.813	77%	0.77	S	S	*	*				-168.2	165.2	102.1	-122.6	-179.5	175.1	178.7	0	115
172	E	30.4	Very low	31.2	Very low	146 Å²	146	154.3 Å²	154.3	68%	0.682	77%	0.765	S	S	*	*			trans	-73.1	149.3	-173.7	-51.6	131.3	133.5	0	0	113.3
173	N	32.7	Very low	31.4	Very low	143 Å²	143	153.3 Å²	153.3	77%	0.765	76%	0.764	S	S	*	*				178.6	125.7	99.8	-100.9	-25.9	0	0	0	116.1
174	S	32.2	Very low	31.5	Very low	86 Å²	86	153.6 Å²	153.6	60%	0.601	77%	0.765	S	S	*	*			trans	44.5	132.3	134.8	65.1	0	0	0	0	123.8
175	T	32.6	Very low	31.9	Very low	127 Å²	127	151.2 Å²	151.2	78%	0.779	76%	0.764	S	S	*	*			trans	68.8	142.7	139.2	51.2	0	0	0	0	119.4
176	S	31.2	Very low	32.3	Very low	93 Å²	93	149.3 Å²	149.3	65%	0.65	76%	0.76	S	S	*	*			cis	-174.1	168.4	-6.7	47.6	0	0	0	0	110.5
177	S	32.2	Very low	32.7	Very low	97 Å²	97	142.8 Å²	142.8	68%	0.678	75%	0.748	S	S	*	*			trans	75.7	113.6	156.7	-48.3	0	0	0	0	115.4
178	S	31.9	Very low	33	Very low	99 Å²	99	146.4 Å²	146.4	69%	0.692	75%	0.75	S	S	*	*				77	137.8	89.1	88.8	0	0	0	0	111.5
179	E	34.3	Very low	33.3	Very low	137 Å²	137	144 Å²	144	64%	0.64	74%	0.735	S	S	*	*			cis	-164	169.2	29.1	-132.8	161.6	152.8	0	0	110.2
180	R	31.7	Very low	33.5	Very low	189 Å²	189	141.1 Å²	141.1	71%	0.713	73%	0.729	S	S	*	*			trans	25.2	148.3	138	-70.5	169.2	169.9	138.4	-3.5	120.5
181	E	34.6	Very low	34	Very low	153 Å²	153	136.9 Å²	136.9	72%	0.715	72%	0.722	S	S	*	*			cis	-163.5	178.8	16	-129.9	152.9	-141.7	0	0	111.4
182	D	29.9	Very low	34.3	Very low	139 Å²	139	132.5 Å²	132.5	74%	0.743	71%	0.714	S	S	*	*			trans	-48.9	166.4	-178.2	-54.7	-63.1	0	0	0	118.6
183	I	35.3	Very low	34.6	Very low	163 Å²	163	133.8 Å²	133.8	84%	0.836	72%	0.721	S	S	*	*				162.3	115.1	122.6	-79.7	154.9	0	0	0	111.4
184	H	36.4	Very low	34.7	Very low	184 Å²	184	132.7 Å²	132.7	85%	0.852	72%	0.719	S	S	*	*			trans	-75.5	151	157.8	-99.2	-62.8	0	0	0	109.4
185	P	39.2	Very low	34.5	Very low	116 Å²	116	133.3 Å²	133.3	75%	0.753	72%	0.723	S	S	*	*				-154.4	169.8	67.4	39.6	-18.4	0	0	0	118.3
186	N	35.3	Very low	34.6	Very low	143 Å²	143	137.9 Å²	137.9	77%	0.765	73%	0.726	S	S	*	*			trans	-73.7	151.6	163.6	-166.5	8.3	0	0	0	109.9
187	P	40.2	Very low	34.6	Very low	98 Å²	98	141.8 Å²	141.8	64%	0.636	73%	0.732	S	S	*	*				-159.3	154.4	98.4	39.5	-20	0	0	0	118.5
188	K	33.6	Very low	34.3	Very low	192 Å²	192	146.6 Å²	146.6	84%	0.835	74%	0.736	S	S	*	*			trans	68.8	159.8	138.2	-74.2	178.5	-179.3	-173.9	0	117.6
189	V	36.6	Very low	34.1	Very low	93 Å²	93	149.4 Å²	149.4	56%	0.564	74%	0.738	S	S	*	*			cis	-160.6	153.2	14.6	93	0	0	0	0	112.3
190	E	34.6	Very low	33.9	Very low	157 Å²	157	149.3 Å²	149.3	73%	0.734	75%	0.747	S	S	*	*			trans	51.9	157	151.8	-68.5	144.7	-158.1	0	0	121.1
191	D	36.9	Very low	33.7	Very low	132 Å²	132	144.8 Å²	144.8	71%	0.706	75%	0.745	S	S	*	*			cis	-158.3	159.2	7.8	-138.5	-19.7	0	0	0	114.7
192	S	39.2	Very low	33.4	Very low	95 Å²	95	146 Å²	146	66%	0.664	75%	0.748	S	S	*	*			trans	60.5	150.5	146.9	79.5	0	0	0	0	121.1
193	E	35	Very low	33.3	Very low	174 Å²	174	147.7 Å²	147.7	81%	0.813	75%	0.751	S	S	*	*			cis	-162.6	161.8	-11.3	-123.8	-164.1	159.3	0	0	113.3
194	V	36	Very low	33	Very low	119 Å²	119	144.3 Å²	144.3	72%	0.721	74%	0.742	S	S	*	*			trans	70	108.2	151.2	179	0	0	0	0	121.3
195	S	28.7	Very low	32.8	Very low	100 Å²	100	142.3 Å²	142.3	70%	0.699	74%	0.737	S	S	*	*			trans	-65.9	158.7	160.8	-40.1	0	0	0	0	114.5
196	R	32.9	Very low	32.5	Very low	223 Å²	223	140.5 Å²	140.5	84%	0.842	73%	0.727	S	S	*	*				174.3	126.7	111.4	-92.5	171.2	-148.1	-176.8	8.9	115.6
197	K	33.1	Very low	32.5	Very low	175 Å²	175	136.2 Å²	136.2	76%	0.761	70%	0.702	S	S	*	*			trans	71.5	113.2	133.2	-64.2	-169.5	175	-171.8	0	123.1
198	Y	26	Very low	32.3	Very low	197 Å²	197	138.9 Å²	138.9	77%	0.773	71%	0.706	S	S	*	*				70.8	122.1	126.2	-80.5	-93.5	0	0	0	122.9
199	Q	26.8	Very low	32.4	Very low	159 Å²	159	138.7 Å²	138.7	74%	0.743	71%	0.705	S	S	*	*			trans	49.6	109.4	141.3	-72.6	171.3	-23.7	0	0	119.3
200	T	29	Very low	32.3	Very low	134 Å²	134	140.8 Å²	140.8	82%	0.822	71%	0.713	S	S	*	*				-175.3	143.4	98.4	24.6	0	0	0	0	114
201	S	28	Very low	32.4	Very low	95 Å²	95	142.4 Å²	142.4	66%	0.664	71%	0.712	S	S	*	*			trans	39.4	119.6	151	63.9	0	0	0	0	123.4
202	K	28.9	Very low	32.5	Very low	178 Å²	178	142.1 Å²	142.1	77%	0.774	71%	0.71	S	S	*	*				71.8	130.5	125.1	-68.9	-178.5	176.3	-176.6	0	120.7
203	Q	27.8	Very low	32.3	Very low	175 Å²	175	144.7 Å²	144.7	82%	0.818	72%	0.715	S	S	*	*			trans	65	132.4	153.3	-65.6	158.8	-44.4	0	0	114.3
204	S	29	Very low	32.3	Very low	91 Å²	91	141.7 Å²	141.7	64%	0.636	71%	0.708	S	S	*	*			cis	-168	136.7	7.6	44.7	0	0	0	0	108.2
205	D	31.4	Very low	32.2	Very low	142 Å²	142	139 Å²	139	76%	0.759	70%	0.695	S	S	*	*			trans	-176.7	98.7	147.8	-100.5	-23.7	0	0	0	112
206	S	34	Very low	32.6	Very low	78 Å²	78	138.7 Å²	138.7	55%	0.545	69%	0.689	S	S	.	*			trans	-131.8	16.5	162.5	68.3	0	0	0	0	112	Q208	S206-Q208 VanDerWaalsContact C-N 3.34Å; S206-Q208 PolarHBondContact O-N 3.39Å
207	K	35.9	Very low	32.8	Very low	53 Å²	53	134.7 Å²	134.7	23%	0.23	68%	0.683	C	S	.	*	S	Bend	trans	-82.8	-7.6	-172.1	-47.8	-149.9	88.3	-53.4	0	114.7	F89 D90	F89-K207 WeakPolarHBondContact O-CE 3.44Å; D90-K207 IonicContact OD1-NZ 3.23Å; D90-K207 PolarHBondContact OD1-NZ 3.24Å; D90-K207 WeakPolarHBondContact OD2-CE 3.49Å; D90-K207 VanDerWaalsContact OD2-CG 3.32Å; D90-K207 WeakPolarHBondContact OD2-CG 3.19Å; D90-K207 IonicContact OD2-NZ 3.05Å; D90-K207 PolarHBondContact OD2-NZ 3.04Å
208	Q	34.3	Very low	32.9	Very low	155 Å²	155	133 Å²	133	72%	0.724	68%	0.682	S	S	*	*	S	Bend	trans	-109.7	-0.5	-155.1	-144.3	80.2	-9.7	0	0	114.4	S206	S206-Q208 VanDerWaalsContact C-N 3.34Å; S206-Q208 PolarHBondContact O-N 3.39Å
209	K	36.6	Very low	33.2	Very low	187 Å²	187	131.3 Å²	131.3	81%	0.813	68%	0.681	S	S	*	*	S	Bend	trans	-112	-24.9	-177.7	-74.2	-172.7	173.4	-178	0	115.2	R211	K209-R211 VanDerWaalsContact C-N 3.26Å; K209-R211 PolarHBondContact O-N 2.99Å
210	D	34.3	Very low	33.5	Very low	137 Å²	137	129.5 Å²	129.5	73%	0.733	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	15.5	-179.6	-57.9	-40.1	0	0	0	114.5
211	R	37.6	Very low	33.7	Very low	191 Å²	191	131.2 Å²	131.2	72%	0.721	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	3.6	179.2	-110.8	-179	174.6	-170.4	-3.7	115.3	K209	K209-R211 VanDerWaalsContact C-N 3.26Å; K209-R211 PolarHBondContact O-N 2.99Å
212	I	38.2	Very low	33.9	Very low	126 Å²	126	135.6 Å²	135.6	65%	0.646	69%	0.694	S	S	*	*	S	Bend	trans	-114.6	-14.1	-174.2	-62.8	177.4	0	0	0	112.6	T216	I212-T216 PolarHBondContact O-OG1 2.96Å
213	L	35.7	Very low	34.2	Very low	150 Å²	150	136.2 Å²	136.2	79%	0.785	70%	0.7	S	S	*	*	S	Bend	trans	-94.5	-14.2	178.7	-145.3	73.2	0	0	0	114.3
214	V	34.9	Very low	34.3	Very low	110 Å²	110	133.6 Å²	133.6	67%	0.667	70%	0.701	S	S	*	*	S	Bend	trans	-102.5	-9.3	-175.1	-179.4	0	0	0	0	113.1
215	S	34.1	Very low	34.6	Very low	62 Å²	62	134.6 Å²	134.6	43%	0.434	71%	0.705	S	S	.	*	S	Bend	trans	-86.7	-18.6	174.3	50.3	0	0	0	0	114.3
216	T	36.7	Very low	34.7	Very low	95 Å²	95	137 Å²	137	58%	0.583	71%	0.712	S	S	*	*	S	Bend	trans	-96.1	-6.4	-164	-45.1	0	0	0	0	114	I212	I212-T216 PolarHBondContact O-OG1 2.96Å
217	I	37.3	Very low	34.8	Very low	139 Å²	139	141 Å²	141	71%	0.713	73%	0.727	S	S	*	*	S	Bend	trans	-105.7	-11.1	178.1	-65.9	176	0	0	0	112.1
218	N	34.3	Very low	34.6	Very low	139 Å²	139	145.2 Å²	145.2	74%	0.743	75%	0.752	S	S	*	*	S	Bend	trans	-105	25.8	178	-69.8	-53.4	0	0	0	113.1
219	Q	32.5	Very low	34.5	Very low	162 Å²	162	149 Å²	149	76%	0.757	76%	0.76	S	S	*	*	S	Bend	trans	-139.1	24.2	-170.8	-132	170.5	18.3	0	0	115
220	T	33.9	Very low	34.5	Very low	120 Å²	120	149.1 Å²	149.1	74%	0.736	76%	0.763	S	S	*	*	S	Bend	trans	-128.9	23.4	178.7	42.8	0	0	0	0	113.4
221	L	32.4	Very low	34.3	Very low	170 Å²	170	154 Å²	154	89%	0.89	77%	0.773	S	S	*	*	S	Bend	trans	-133.5	41.5	-179	-84.1	172	0	0	0	113.4
222	E	32.5	Very low	33.8	Very low	187 Å²	187	154.5 Å²	154.5	87%	0.874	78%	0.781	S	S	*	*			trans	-132.6	157.1	162.7	-77.5	-176	150.4	0	0	109.9
223	E	34.9	Very low	33.6	Very low	192 Å²	192	155.3 Å²	155.3	90%	0.897	79%	0.792	S	S	*	*	S	Bend	trans	76.4	76.4	177.4	-52.5	-170.3	-176.1	0	0	119
224	S	31.1	Very low	33.4	Very low	119 Å²	119	152.9 Å²	152.9	83%	0.832	79%	0.793	S	S	*	*				174.2	126.4	107.2	-169.8	0	0	0	0	112.4
225	P	35.1	Very low	33.1	Very low	112 Å²	112	155.8 Å²	155.8	73%	0.727	80%	0.804	S	S	*	*			trans	-110.3	132.6	-169.4	37.9	-30.7	0	0	0	115.9
226	Q	33.7	Very low	32.9	Very low	192 Å²	192	160.9 Å²	160.9	90%	0.897	82%	0.821	S	S	*	*			trans	167.5	129.2	155.5	-92.5	148.4	22.1	0	0	105.4
227	D	35.4	Very low	32.9	Very low	163 Å²	163	162.7 Å²	162.7	87%	0.872	83%	0.832	S	S	*	*			cis	-140.2	148.7	26.4	-131.8	-28	0	0	0	112
228	N	32.1	Very low	32.8	Very low	141 Å²	141	163 Å²	163	75%	0.754	83%	0.831	S	S	*	*			trans	-135.1	111.7	-169.3	178	1	0	0	0	111.1
229	R	32.1	Very low	32.6	Very low	236 Å²	236	166.3 Å²	166.3	89%	0.891	83%	0.833	S	S	*	*			trans	178.6	101.7	156.8	-96.1	145.5	-163.5	-148.7	7.5	111.7
230	Q	35.6	Very low	32.6	Very low	188 Å²	188	166.9 Å²	166.9	88%	0.879	84%	0.835	S	S	*	*	S	Bend	trans	-175.6	-24.9	131.6	-104.9	169.5	9.9	0	0	114.9	K232	Q230-K232 VanDerWaalsContact C-N 3.33Å; Q230-K232 PolarHBondContact O-N 3.41Å
231	Y	30.5	Very low	32.7	Very low	240 Å²	240	169.2 Å²	169.2	94%	0.941	84%	0.838	S	S	*	*			trans	-82.8	70.1	177.8	-84.8	-87	0	0	0	113.1
232	K	27.7	Very low	32.5	Very low	201 Å²	201	171.6 Å²	171.6	87%	0.874	84%	0.836	S	S	*	*			trans	-152.5	56.9	171.3	-145.7	176.3	-171	179.6	0	115	Q230	Q230-K232 VanDerWaalsContact C-N 3.33Å; Q230-K232 PolarHBondContact O-N 3.41Å
233	T	32.8	Very low	32.3	Very low	144 Å²	144	169.3 Å²	169.3	88%	0.883	84%	0.835	S	S	*	*	S	Bend	trans	-146.2	152.2	158.7	-32.4	0	0	0	0	109.4
234	A	32	Very low	32.1	Very low	98 Å²	98	168.6 Å²	168.6	81%	0.81	84%	0.836	S	S	*	*	S	Bend	trans	81.7	51.5	175.9	0	0	0	0	0	118.6
235	L	29	Very low	32.2	Very low	171 Å²	171	172.1 Å²	172.1	90%	0.895	84%	0.837	S	S	*	*			trans	-144.2	78.8	153.9	-108.6	172.7	0	0	0	109.7
236	Q	30.4	Very low	32.2	Very low	170 Å²	170	178.4 Å²	178.4	79%	0.794	85%	0.848	S	S	*	*			trans	-161.8	64.6	178.3	-162.7	84.9	48.3	0	0	113.9
237	T	36.4	Very low	32	Very low	132 Å²	132	172.7 Å²	172.7	81%	0.81	84%	0.84	S	S	*	*			trans	-166.9	103.8	153	-16.5	0	0	0	0	105.6
238	E	35.3	Very low	31.7	Very low	147 Å²	147	170 Å²	170	69%	0.687	84%	0.84	S	S	*	*				56.6	135	70.1	-65.7	-162.3	138.1	0	0	113.9
239	R	28.7	Very low	31.5	Very low	208 Å²	208	168.9 Å²	168.9	79%	0.785	84%	0.844	S	S	*	*			cis	-168.6	-176.7	-15.7	-159.8	168.9	176.7	170.8	-5	107.5
240	E	34.2	Very low	31.4	Very low	174 Å²	174	164 Å²	164	81%	0.813	83%	0.831	S	S	*	*			trans	78.3	136.2	167.6	-64	159.3	-156.4	0	0	116.2
241	E	35.2	Very low	31.1	Very low	168 Å²	168	160.5 Å²	160.5	79%	0.785	83%	0.827	S	S	*	*			cis	-149.9	128.7	-1.5	-106.8	-176.5	140	0	0	109.2
242	Y	28.1	Very low	30.9	Very low	220 Å²	220	154.9 Å²	154.9	86%	0.863	82%	0.823	S	S	*	*				70.6	97.3	98.2	-100.1	-100.3	0	0	0	118.7
243	V	28.5	Very low	31.1	Very low	139 Å²	139	149.3 Å²	149.3	84%	0.842	81%	0.808	S	S	*	*				-173.6	81.4	113.4	-178.2	0	0	0	0	108.6
244	L	30.1	Very low	31.1	Very low	177 Å²	177	146.2 Å²	146.2	93%	0.927	79%	0.789	S	S	*	*			trans	-149.2	111	167.9	-88.6	175.1	0	0	0	109.2
245	K	33.2	Very low	31.6	Very low	194 Å²	194	143.6 Å²	143.6	84%	0.843	76%	0.763	S	S	*	*			trans	-152.7	62.2	-176	-163.3	-166.2	178.4	-177.3	0	114
246	Y	35.2	Very low	32.1	Very low	244 Å²	244	137.9 Å²	137.9	96%	0.957	74%	0.735	S	S	*	*	S	Bend	trans	-170.7	133.3	155.6	-80.5	-69.8	0	0	0	105.9
247	G	30.4	Very low	32.6	Very low	72 Å²	72	133.3 Å²	133.3	74%	0.742	72%	0.719	S	S	*	*			cis	-162	135.8	-16.1	0	0	0	0	0	107	S249	G247-S249 PolarHBondContact O-N 3.32Å
248	A	28.6	Very low	32.6	Very low	105 Å²	105	130.6 Å²	130.6	87%	0.868	70%	0.699	S	S	*	*			trans	-74.9	119.6	-173.1	0	0	0	0	0	111.4
249	S	28.4	Very low	32.8	Very low	119 Å²	119	130.3 Å²	130.3	83%	0.832	69%	0.692	S	S	*	*			trans	-174.6	46.6	165.8	-99	0	0	0	0	114.2	G247	G247-S249 PolarHBondContact O-N 3.32Å
250	Q	29.3	Very low	33.2	Very low	134 Å²	134	121.9 Å²	121.9	63%	0.626	66%	0.662	S	S	*	*			trans	-143.2	112.6	167.2	-70.7	-161	21.6	0	0	113.8	F3	F3-Q250 VanDerWaalsContact CB-OE1 3.26Å; F3-Q250 VanDerWaalsContact CG-NE2 3.34Å
251	S	28.7	Very low	33.4	Very low	113 Å²	113	118.1 Å²	118.1	79%	0.79	65%	0.646	S	S	*	*			trans	-118.3	155.5	160.5	58	0	0	0	0	108.9
252	S	27.1	Very low	33.4	Very low	123 Å²	123	115.2 Å²	115.2	86%	0.86	63%	0.633	S	S	*	*	S	Bend	trans	81.2	62.1	179.8	76	0	0	0	0	118.9
253	C	31.1	Very low	33.8	Very low	83 Å²	83	107 Å²	107	56%	0.561	61%	0.608	S	S	*	*			trans	-153.5	39.8	153.6	-156.3	0	0	0	0	113.6
254	V	33	Very low	34.1	Very low	80 Å²	80	105.6 Å²	105.6	49%	0.485	59%	0.592	S	S	.	*			trans	-142.9	118.8	-178.3	-145.7	0	0	0	0	109.7	T257 D258	V254-T257 VanDerWaalsContact CG1-OG1 3.22Å; V254-T257 WeakPolarHBondContact CG1-OG1 3.43Å; V254-D258 WeakPolarHBondContact CB-OD2 3.32Å; V254-D258 WeakPolarHBondContact CG1-OD1 3.34Å; V254-D258 WeakPolarHBondContact CG1-OD2 3.49Å
255	T	42.5	Very low	34.2	Very low	42 Å²	42	101.7 Å²	101.7	26%	0.258	58%	0.576	S	S	.	*	S	Bend	trans	-169.4	-28.3	178.1	1.5	0	0	0	0	114.6	S705	T255-S705 VanDerWaalsContact OG1-CA 3.25Å; T255-S705 WeakPolarHBondContact OG1-CA 3.3Å; T255-S705 WeakPolarHBondContact OG1-CB 3.12Å; T255-S705 PolarHBondContact OG1-O 2.7Å; T255-S705 VanDerWaalsContact OG1-O 3.09Å
256	V	39.6	Very low	34.4	Very low	52 Å²	52	98.5 Å²	98.5	32%	0.315	57%	0.567	S	S	.	*	H	α-helix	trans	-80.1	-47	171.5	-176.6	0	0	0	0	110.8	M260 P704	V256-M260 HydrophobicContact CG1-CE 4.22Å; V256-M260 HydrophobicContact CG1-SD 4.31Å; V256-M260 WeakPolarHBondContact O-CB 3.45Å; V256-M260 WeakPolarHBondContact O-CG 3.5Å; V256-M260 PolarHBondContact O-N 3.05Å; V256-M260 VanDerWaalsContact O-N 3.09Å; V256-P704 HydrophobicContact CG2-CB 3.31Å
257	T	40.6	Very low	34.2	Very low	74 Å²	74	96.5 Å²	96.5	45%	0.454	56%	0.559	S	S	.	*	H	α-helix	trans	-60.7	-50.1	175.5	45.3	0	0	0	0	111.2	V254 R259 M260 I261	V254-T257 VanDerWaalsContact CG1-OG1 3.22Å; V254-T257 WeakPolarHBondContact CG1-OG1 3.43Å; T257-R259 PolarHBondContact O-N 3.34Å; T257-M260 CarbonylContact O-C 3.59Å; T257-M260 PolarHBondContact O-N 2.84Å; T257-M260 VanDerWaalsContact O-N 3.14Å; T257-I261 WeakPolarHBondContact O-CB 3.3Å; T257-I261 VanDerWaalsContact O-CG1 3.26Å; T257-I261 WeakPolarHBondContact O-CG1 3.26Å; T257-I261 PolarHBondContact O-N 3.38Å
258	D	36	Very low	34.3	Very low	74 Å²	74	98 Å²	98	40%	0.396	55%	0.554	S	S	.	*	H	α-helix	trans	-62.7	-43	-175.6	-67.9	-8.9	0	0	0	112.1	V254 M260 I261 E262	V254-D258 WeakPolarHBondContact CB-OD2 3.32Å; V254-D258 WeakPolarHBondContact CG1-OD1 3.34Å; V254-D258 WeakPolarHBondContact CG1-OD2 3.49Å; D258-M260 PolarHBondContact O-N 2.92Å; D258-I261 CarbonylContact O-C 3.41Å; D258-I261 PolarHBondContact O-N 2.86Å; D258-I261 VanDerWaalsContact O-N 3.13Å; D258-E262 WeakPolarHBondContact O-CG 3.5Å; D258-E262 PolarHBondContact O-N 2.83Å
259	R	40.4	Very low	34.5	Very low	141 Å²	141	100.6 Å²	100.6	53%	0.532	55%	0.553	S	S	.	*	H	α-helix	trans	-71.3	-29.1	176.1	-74.5	-179.5	171.6	162.4	-0.6	113.7	T257 I261 S263	T257-R259 PolarHBondContact O-N 3.34Å; R259-I261 VanDerWaalsContact C-N 3.29Å; R259-S263 PolarHBondContact O-N 3.03Å; R259-S263 PolarHBondContact O-OG 3.4Å
260	M	38	Very low	34.7	Very low	32 Å²	32	104 Å²	104	16%	0.158	56%	0.556	C	S	.	*	H	α-helix	trans	-72.1	-22.4	169.9	-75.6	-172.3	174.7	0	0	112.8	V256 T257 D258 S263 Q264 F755 M786 I789	V256-M260 HydrophobicContact CG1-CE 4.22Å; V256-M260 HydrophobicContact CG1-SD 4.31Å; V256-M260 WeakPolarHBondContact O-CB 3.45Å; V256-M260 WeakPolarHBondContact O-CG 3.5Å; V256-M260 PolarHBondContact O-N 3.05Å; V256-M260 VanDerWaalsContact O-N 3.09Å; T257-M260 CarbonylContact O-C 3.59Å; T257-M260 PolarHBondContact O-N 2.84Å; T257-M260 VanDerWaalsContact O-N 3.14Å; D258-M260 PolarHBondContact O-N 2.92Å; M260-S263 WeakPolarHBondContact CA-OG 3.5Å; M260-S263 PolarHBondContact O-OG 3.38Å; M260-Q264 WeakPolarHBondContact O-CG 3.22Å; M260-F755 HydrophobicContact CE-CD2 4.27Å; M260-F755 HydrophobicContact CE-CE2 4.02Å; M260-F755 HydrophobicContact SD-CD2 4.05Å; M260-F755 HydrophobicContact SD-CE2 4.35Å; M260-M786 WeakPolarHBondContact O-CE 3.46Å; M260-I789 HydrophobicContact CE-CD1 4.2Å
261	I	38	Very low	34.8	Very low	94 Å²	94	104.9 Å²	104.9	48%	0.482	56%	0.564	S	S	.	*	H	α-helix	trans	-87.1	-40.1	174.6	-67.7	164.7	0	0	0	110.9	T257 D258 R259 S263 Q264 T265	T257-I261 WeakPolarHBondContact O-CB 3.3Å; T257-I261 VanDerWaalsContact O-CG1 3.26Å; T257-I261 WeakPolarHBondContact O-CG1 3.26Å; T257-I261 PolarHBondContact O-N 3.38Å; D258-I261 CarbonylContact O-C 3.41Å; D258-I261 PolarHBondContact O-N 2.86Å; D258-I261 VanDerWaalsContact O-N 3.13Å; R259-I261 VanDerWaalsContact C-N 3.29Å; I261-S263 VanDerWaalsContact C-N 3.26Å; I261-S263 PolarHBondContact O-N 3.18Å; I261-Q264 WeakPolarHBondContact O-CA 3.35Å; I261-Q264 WeakPolarHBondContact O-CB 3.49Å; I261-Q264 PolarHBondContact O-N 3.42Å; I261-T265 PolarHBondContact O-N 3.18Å; I261-T265 VanDerWaalsContact O-N 3.16Å; I261-T265 PolarHBondContact O-OG1 3.39Å
262	E	34.4	Very low	34.9	Very low	107 Å²	107	107 Å²	107	50%	0.5	57%	0.567	S	S	.	*	H	α-helix	trans	-60.3	-35.8	173	-75.4	179.8	145.9	0	0	112.1	D258 Q264 T265 I266	D258-E262 WeakPolarHBondContact O-CG 3.5Å; D258-E262 PolarHBondContact O-N 2.83Å; E262-Q264 PolarHBondContact O-N 2.93Å; E262-T265 WeakPolarHBondContact CA-OG1 3.35Å; E262-T265 PolarHBondContact O-N 3.39Å; E262-T265 PolarHBondContact O-OG1 3.45Å; E262-T265 VanDerWaalsContact O-OG1 3.1Å; E262-I266 WeakPolarHBondContact O-CB 3.31Å; E262-I266 WeakPolarHBondContact O-CD1 3.48Å; E262-I266 VanDerWaalsContact O-CG1 3.25Å; E262-I266 WeakPolarHBondContact O-CG1 3.41Å; E262-I266 PolarHBondContact O-N 3.34Å
263	S	36	Very low	35.3	Very low	49 Å²	49	106.7 Å²	106.7	34%	0.343	56%	0.561	S	S	.	*	H	α-helix	trans	-74.6	-9	173.2	46.1	0	0	0	0	114	R259 M260 I261 M786	R259-S263 PolarHBondContact O-N 3.03Å; R259-S263 PolarHBondContact O-OG 3.4Å; M260-S263 WeakPolarHBondContact CA-OG 3.5Å; M260-S263 PolarHBondContact O-OG 3.38Å; I261-S263 VanDerWaalsContact C-N 3.26Å; I261-S263 PolarHBondContact O-N 3.18Å; S263-M786 WeakPolarHBondContact OG-CE 3.4Å
264	Q	35.7	Very low	35.4	Very low	108 Å²	108	107.5 Å²	107.5	51%	0.505	57%	0.568	S	S	.	*	H	α-helix	trans	-85.2	-34.6	164.6	-65.8	179.2	32.1	0	0	112.3	M260 I261 E262 M786	M260-Q264 WeakPolarHBondContact O-CG 3.22Å; I261-Q264 WeakPolarHBondContact O-CA 3.35Å; I261-Q264 WeakPolarHBondContact O-CB 3.49Å; I261-Q264 PolarHBondContact O-N 3.42Å; E262-Q264 PolarHBondContact O-N 2.93Å; Q264-M786 HydrophobicContact CG-CE 4.26Å
265	T	33.1	Very low	35.5	Very low	95 Å²	95	112.6 Å²	112.6	58%	0.583	59%	0.587	S	S	*	*	H	α-helix	trans	-78.2	-29.7	177.5	36.1	0	0	0	0	114	I261 E262 Y267	I261-T265 PolarHBondContact O-N 3.18Å; I261-T265 VanDerWaalsContact O-N 3.16Å; I261-T265 PolarHBondContact O-OG1 3.39Å; E262-T265 WeakPolarHBondContact CA-OG1 3.35Å; E262-T265 PolarHBondContact O-N 3.39Å; E262-T265 PolarHBondContact O-OG1 3.45Å; E262-T265 VanDerWaalsContact O-OG1 3.1Å; T265-Y267 PolarHBondContact O-N 3.01Å
266	I	35.6	Very low	35.1	Very low	127 Å²	127	115.7 Å²	115.7	65%	0.651	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-9.7	-177.4	-70.1	166.4	0	0	0	113.9	E262	E262-I266 WeakPolarHBondContact O-CB 3.31Å; E262-I266 WeakPolarHBondContact O-CD1 3.48Å; E262-I266 VanDerWaalsContact O-CG1 3.25Å; E262-I266 WeakPolarHBondContact O-CG1 3.41Å; E262-I266 PolarHBondContact O-N 3.34Å
267	Y	32.6	Very low	34.8	Very low	202 Å²	202	121 Å²	121	79%	0.792	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	13	-178.8	-92.2	-81.4	0	0	0	115.6	T265	T265-Y267 PolarHBondContact O-N 3.01Å
268	T	32	Very low	34.5	Very low	105 Å²	105	123.7 Å²	123.7	64%	0.644	64%	0.642	S	S	*	*	S	Bend	trans	-131.2	35.5	-177.1	57.9	0	0	0	0	115.8
269	D	32.1	Very low	34.3	Very low	159 Å²	159	124.7 Å²	124.7	85%	0.85	66%	0.655	S	S	*	*			trans	-144.3	170.6	161.5	-103.4	-43.8	0	0	0	112.5
270	E	32.6	Very low	34.1	Very low	189 Å²	189	128.6 Å²	128.6	88%	0.883	67%	0.669	S	S	*	*			trans	75.2	65.9	-179.8	-58.1	-101.9	137.1	0	0	116.8
271	L	32.3	Very low	34	Very low	154 Å²	154	136.3 Å²	136.3	81%	0.806	70%	0.702	S	S	*	*			trans	-124.8	84.9	152.9	-91.3	176.2	0	0	0	111.5
272	N	30.7	Very low	34	Very low	157 Å²	157	136.8 Å²	136.8	84%	0.84	71%	0.713	S	S	*	*			trans	-160.6	151.2	147.3	-105.2	-21	0	0	0	113.2
273	P	34.4	Very low	34	Very low	116 Å²	116	141.9 Å²	141.9	75%	0.753	73%	0.734	S	S	*	*			trans	-124.6	148.3	-161.6	39.2	-24.4	0	0	0	116.1
274	S	34.9	Very low	34.3	Very low	100 Å²	100	144.6 Å²	144.6	70%	0.699	75%	0.753	S	S	*	*			trans	-163.2	123.7	161.3	54.7	0	0	0	0	114.4
275	Q	33.5	Very low	34.3	Very low	188 Å²	188	149.7 Å²	149.7	88%	0.879	77%	0.774	S	S	*	*			trans	65.2	149.7	158	-53	169	29.6	0	0	115
276	S	34.5	Very low	34.9	Very low	107 Å²	107	154.4 Å²	154.4	75%	0.748	79%	0.786	S	S	*	*			cis	-172.4	147	-12.1	45.3	0	0	0	0	106.7
277	E	32.7	Very low	35.7	Very low	164 Å²	164	152.3 Å²	152.3	77%	0.766	78%	0.783	S	S	*	*			cis	-169	-170.1	-2.5	-122.3	-77.1	55.4	0	0	109.1
278	I	34.8	Very low	36.4	Very low	130 Å²	130	150.9 Å²	150.9	67%	0.667	78%	0.781	S	S	*	*			trans	36.2	108.5	154	-55.1	157.7	0	0	0	116.7
279	S	32.5	Very low	37.4	Very low	95 Å²	95	156 Å²	156	66%	0.664	79%	0.788	S	S	*	*				-170.3	128	71.8	-160	0	0	0	0	115.3
280	R	36.3	Very low	38.5	Very low	222 Å²	222	154.1 Å²	154.1	84%	0.838	78%	0.778	S	S	*	*			trans	37.2	124.9	133.2	-56.2	172.6	-175.2	-178.4	1.2	118.2
281	K	36.2	Very low	39.6	Very low	194 Å²	194	153.4 Å²	153.4	84%	0.843	77%	0.767	S	S	*	*				-166.3	115.9	50.3	-116.3	155.9	-177.4	178.1	0	114
282	S	36.3	Very low	40.8	Very low	104 Å²	104	152.9 Å²	152.9	73%	0.727	76%	0.759	S	S	*	*			trans	24.6	124.9	140.2	56.5	0	0	0	0	123.8
283	K	35.5	Very low	42.3	Very low	214 Å²	214	151 Å²	151	93%	0.93	74%	0.744	S	S	*	*				-161.7	150.2	121.5	-105.2	162	-172.9	175.7	0	112.4
284	S	41.7	Very low	43.6	Very low	107 Å²	107	153 Å²	153	75%	0.748	74%	0.741	S	S	*	*			trans	60.7	90.2	177.4	-156.9	0	0	0	0	119.4
285	K	37	Very low	44.8	Very low	215 Å²	215	153.1 Å²	153.1	94%	0.935	73%	0.731	S	S	*	*			trans	-105.3	88.4	165.6	-74	-178.8	177.3	177.3	0	111.1
286	K	44.1	Very low	46	Very low	193 Å²	193	150.2 Å²	150.2	84%	0.839	72%	0.718	S	S	*	*	S	Bend	trans	-151.3	-27.9	157.9	-152.8	163.9	-177.5	175.8	0	115.2
287	S	52.5	Low	47.5	Very low	84 Å²	84	152 Å²	152	59%	0.587	71%	0.712	S	S	*	*	S	Bend	trans	-85.2	-15	179.4	163.9	0	0	0	0	115.3	R289	S287-R289 PolarHBondContact O-N 3.4Å
288	K	48.8	Very low	49	Very low	171 Å²	171	149.4 Å²	149.4	74%	0.743	70%	0.702	S	S	*	*	H	α-helix	trans	-78.9	-12.5	-173.3	-78.6	-170.3	172.7	-174.4	0	115.9	K292	K288-K292 PolarHBondContact O-N 3.18Å
289	R	51.5	Low	50.3	Low	214 Å²	214	146.9 Å²	146.9	81%	0.808	69%	0.693	S	S	*	*	H	α-helix	trans	-77	-55.2	-179.7	-111.3	179	176.9	158.7	-1.5	111.5	S287 R291 K292 E293	S287-R289 PolarHBondContact O-N 3.4Å; R289-R291 PolarHBondContact O-N 3.04Å; R289-K292 PolarHBondContact O-N 3.25Å; R289-K292 VanDerWaalsContact O-N 3.12Å; R289-E293 PolarHBondContact O-N 2.76Å
290	D	56.2	Low	52.1	Low	119 Å²	119	145.9 Å²	145.9	64%	0.636	69%	0.686	S	S	*	*	H	α-helix	trans	-61.5	-29.8	-178.2	-48.9	-1.2	0	0	0	112.7	K294	D290-K294 PolarHBondContact O-N 2.82Å; D290-K294 VanDerWaalsContact O-N 3.12Å
291	R	55.3	Low	53.7	Low	174 Å²	174	142.6 Å²	142.6	66%	0.657	68%	0.677	S	S	*	*	H	α-helix	trans	-70.9	-46.2	175.9	-142.3	172.2	-174.2	159.1	0.3	111.7	R289 E293 K294 E295	R289-R291 PolarHBondContact O-N 3.04Å; R291-E293 VanDerWaalsContact C-N 3.32Å; R291-E293 PolarHBondContact O-N 2.91Å; R291-K294 PolarHBondContact O-N 2.68Å; R291-E295 WeakPolarHBondContact O-CG 3.23Å; R291-E295 PolarHBondContact O-N 2.64Å
292	K	57.9	Low	55.1	Low	143 Å²	143	136.3 Å²	136.3	62%	0.622	66%	0.658	S	S	*	*	H	α-helix	trans	-61.4	-37.4	173.5	-99.4	-164	170.3	-165.6	0	112.8	K288 R289 E295 Q296	K288-K292 PolarHBondContact O-N 3.18Å; R289-K292 PolarHBondContact O-N 3.25Å; R289-K292 VanDerWaalsContact O-N 3.12Å; K292-E295 PolarHBondContact O-N 2.9Å; K292-Q296 WeakPolarHBondContact O-CB 3.06Å; K292-Q296 WeakPolarHBondContact O-CG 3.41Å; K292-Q296 PolarHBondContact O-N 2.99Å
293	E	61.6	Low	56.8	Low	116 Å²	116	139.6 Å²	139.6	54%	0.542	66%	0.655	S	S	.	*	H	α-helix	trans	-72.7	-32.6	-179.9	-159.6	175.1	-177.7	0	0	112.2	R289 R291 K297	R289-E293 PolarHBondContact O-N 2.76Å; R291-E293 VanDerWaalsContact C-N 3.32Å; R291-E293 PolarHBondContact O-N 2.91Å; E293-K297 PolarHBondContact O-N 3.25Å; E293-K297 VanDerWaalsContact O-N 3.09Å
294	K	61.4	Low	58.6	Low	158 Å²	158	135.6 Å²	135.6	69%	0.687	64%	0.639	S	S	*	*	H	α-helix	trans	-66.3	-45.4	167.9	-102.7	-176.3	173.3	-178.4	0	112.3	D290 R291 K297 I298	D290-K294 PolarHBondContact O-N 2.82Å; D290-K294 VanDerWaalsContact O-N 3.12Å; R291-K294 PolarHBondContact O-N 2.68Å; K294-K297 PolarHBondContact O-N 3.16Å; K294-I298 WeakPolarHBondContact O-CG1 3.49Å; K294-I298 PolarHBondContact O-N 3.46Å
295	E	59.9	Low	59.8	Low	104 Å²	104	137.2 Å²	137.2	49%	0.486	64%	0.637	S	S	.	*	H	α-helix	trans	-63.2	-40.2	178.1	-74.3	157.7	-173.3	0	0	111.8	R291 K292 I298 T299	R291-E295 WeakPolarHBondContact O-CG 3.23Å; R291-E295 PolarHBondContact O-N 2.64Å; K292-E295 PolarHBondContact O-N 2.9Å; E295-I298 PolarHBondContact O-N 2.86Å; E295-T299 WeakPolarHBondContact O-CG2 3.18Å; E295-T299 PolarHBondContact O-N 3.2Å; E295-T299 PolarHBondContact O-OG1 3.3Å
296	Q	59.2	Low	61.3	Low	127 Å²	127	131.8 Å²	131.8	59%	0.593	62%	0.617	S	S	*	*	H	α-helix	trans	-64.2	-42.8	172.8	-78.7	-176.9	-30.4	0	0	112.5	K292 I298 T299 S300	K292-Q296 WeakPolarHBondContact O-CB 3.06Å; K292-Q296 WeakPolarHBondContact O-CG 3.41Å; K292-Q296 PolarHBondContact O-N 2.99Å; Q296-I298 VanDerWaalsContact C-N 3.34Å; Q296-I298 PolarHBondContact O-N 3.24Å; Q296-T299 WeakPolarHBondContact CA-OG1 3.24Å; Q296-T299 PolarHBondContact O-N 3.09Å; Q296-T299 PolarHBondContact O-OG1 2.97Å; Q296-T299 VanDerWaalsContact O-OG1 3.08Å; Q296-S300 WeakPolarHBondContact O-CB 3.45Å; Q296-S300 PolarHBondContact O-N 2.65Å; Q296-S300 PolarHBondContact O-OG 3.49Å
297	K	66.4	Low	62.8	Low	144 Å²	144	126.3 Å²	126.3	63%	0.626	60%	0.6	S	S	*	*	H	α-helix	trans	-64.9	-33.5	175.8	-92.4	174.8	174.5	161.4	0	114	E293 K294 K301	E293-K297 PolarHBondContact O-N 3.25Å; E293-K297 VanDerWaalsContact O-N 3.09Å; K294-K297 PolarHBondContact O-N 3.16Å; K297-K301 PolarHBondContact O-N 3.03Å
298	I	63.1	Low	64	Low	109 Å²	109	127.8 Å²	127.8	56%	0.559	60%	0.601	S	S	*	*	H	α-helix	trans	-71.7	-49.5	176.6	-67.1	164.7	0	0	0	110	K294 E295 Q296 S300 K301 S302	K294-I298 WeakPolarHBondContact O-CG1 3.49Å; K294-I298 PolarHBondContact O-N 3.46Å; E295-I298 PolarHBondContact O-N 2.86Å; Q296-I298 VanDerWaalsContact C-N 3.34Å; Q296-I298 PolarHBondContact O-N 3.24Å; I298-S300 PolarHBondContact O-N 2.67Å; I298-K301 PolarHBondContact O-N 3.25Å; I298-S302 PolarHBondContact O-N 3.25Å; I298-S302 PolarHBondContact O-OG 3.34Å
299	T	63.2	Low	65.1	Low	78 Å²	78	126.1 Å²	126.1	48%	0.479	59%	0.593	S	S	.	*	H	α-helix	trans	-62.9	-37.4	179.6	47.4	0	0	0	0	113.3	E295 Q296 S302 R303	E295-T299 WeakPolarHBondContact O-CG2 3.18Å; E295-T299 PolarHBondContact O-N 3.2Å; E295-T299 PolarHBondContact O-OG1 3.3Å; Q296-T299 WeakPolarHBondContact CA-OG1 3.24Å; Q296-T299 PolarHBondContact O-N 3.09Å; Q296-T299 PolarHBondContact O-OG1 2.97Å; Q296-T299 VanDerWaalsContact O-OG1 3.08Å; T299-S302 PolarHBondContact O-N 3.42Å; T299-R303 PolarHBondContact O-N 2.95Å; T299-R303 VanDerWaalsContact O-N 3.09Å
300	S	70.4	Confident	66.1	Low	74 Å²	74	122 Å²	122	52%	0.517	58%	0.584	S	S	.	*	H	α-helix	trans	-59.9	-47.4	172.6	-63.5	0	0	0	0	112.3	Q296 I298 S302 R303 E304	Q296-S300 WeakPolarHBondContact O-CB 3.45Å; Q296-S300 PolarHBondContact O-N 2.65Å; Q296-S300 PolarHBondContact O-OG 3.49Å; I298-S300 PolarHBondContact O-N 2.67Å; S300-S302 PolarHBondContact O-N 3.08Å; S300-R303 PolarHBondContact O-N 3.34Å; S300-E304 PolarHBondContact O-N 3.5Å
301	K	70.2	Confident	67.1	Low	152 Å²	152	123.3 Å²	123.3	66%	0.661	59%	0.585	S	S	*	*	H	α-helix	trans	-65.2	-37.8	179	-78.6	-169.7	170.5	-165.7	0	112.9	K297 I298 E304 M305	K297-K301 PolarHBondContact O-N 3.03Å; I298-K301 PolarHBondContact O-N 3.25Å; K301-E304 PolarHBondContact O-N 3.41Å; K301-M305 PolarHBondContact O-N 3.36Å
302	S	65.4	Low	68	Low	63 Å²	63	122 Å²	122	44%	0.441	58%	0.583	S	S	.	*	H	α-helix	trans	-63.5	-43.6	175.5	-60.7	0	0	0	0	111.9	I298 T299 S300 E304 M305 I306	I298-S302 PolarHBondContact O-N 3.25Å; I298-S302 PolarHBondContact O-OG 3.34Å; T299-S302 PolarHBondContact O-N 3.42Å; S300-S302 PolarHBondContact O-N 3.08Å; S302-E304 VanDerWaalsContact C-N 3.34Å; S302-E304 PolarHBondContact O-N 2.85Å; S302-M305 PolarHBondContact O-N 3.16Å; S302-I306 WeakPolarHBondContact O-CG1 3.01Å; S302-I306 PolarHBondContact O-N 3.06Å
303	R	70.7	Confident	68.5	Low	173 Å²	173	118.3 Å²	118.3	65%	0.653	57%	0.569	S	S	*	*	H	α-helix	trans	-61.4	-40.6	173.9	-83.9	-176.4	165.7	156.4	-1.5	112.3	T299 S300 I306 T307	T299-R303 PolarHBondContact O-N 2.95Å; T299-R303 VanDerWaalsContact O-N 3.09Å; S300-R303 PolarHBondContact O-N 3.34Å; R303-I306 PolarHBondContact O-N 3.27Å; R303-T307 WeakPolarHBondContact O-CB 3.43Å; R303-T307 PolarHBondContact O-N 3.09Å; R303-T307 PolarHBondContact O-OG1 2.91Å
304	E	73.4	Confident	68.8	Low	129 Å²	129	116.3 Å²	116.3	60%	0.603	57%	0.568	S	S	*	*	H	α-helix	trans	-62.5	-44.8	177.4	-132.2	175.3	-175.2	0	0	112.1	S300 K301 S302 T307 L308	S300-E304 PolarHBondContact O-N 3.5Å; K301-E304 PolarHBondContact O-N 3.41Å; S302-E304 VanDerWaalsContact C-N 3.34Å; S302-E304 PolarHBondContact O-N 2.85Å; E304-T307 PolarHBondContact O-N 3.31Å; E304-L308 WeakPolarHBondContact O-CB 3.39Å; E304-L308 WeakPolarHBondContact O-CG 3.4Å; E304-L308 PolarHBondContact O-N 2.82Å
305	M	67.1	Low	69	Low	141 Å²	141	118 Å²	118	70%	0.695	57%	0.57	S	S	*	*	H	α-helix	trans	-63.4	-43.4	176	-74.8	-121.3	-65.5	0	0	113	K301 S302 T307 L308 K309	K301-M305 PolarHBondContact O-N 3.36Å; S302-M305 PolarHBondContact O-N 3.16Å; M305-T307 VanDerWaalsContact C-N 3.35Å; M305-L308 PolarHBondContact O-N 2.84Å; M305-K309 PolarHBondContact O-N 3.35Å
306	I	70.1	Confident	69.1	Low	101 Å²	101	118.2 Å²	118.2	52%	0.518	57%	0.571	S	S	.	*	H	α-helix	trans	-62.6	-44	177	-67.2	164.8	0	0	0	110.4	S302 R303 L308 K309 M310	S302-I306 WeakPolarHBondContact O-CG1 3.01Å; S302-I306 PolarHBondContact O-N 3.06Å; R303-I306 PolarHBondContact O-N 3.27Å; I306-L308 VanDerWaalsContact C-N 3.32Å; I306-L308 PolarHBondContact O-N 2.88Å; I306-K309 PolarHBondContact O-N 3.27Å; I306-M310 PolarHBondContact O-N 3.05Å
307	T	75	Confident	68.8	Low	78 Å²	78	121.1 Å²	121.1	48%	0.479	58%	0.576	S	S	.	*	H	α-helix	trans	-63.8	-37.8	178.3	-47.9	0	0	0	0	111.8	R303 E304 M305 K311	R303-T307 WeakPolarHBondContact O-CB 3.43Å; R303-T307 PolarHBondContact O-N 3.09Å; R303-T307 PolarHBondContact O-OG1 2.91Å; E304-T307 PolarHBondContact O-N 3.31Å; M305-T307 VanDerWaalsContact C-N 3.35Å; T307-K311 WeakPolarHBondContact O-CB 3.48Å; T307-K311 PolarHBondContact O-N 2.71Å
308	L	76.7	Confident	68.6	Low	116 Å²	116	122.1 Å²	122.1	61%	0.607	58%	0.581	S	S	*	*	H	α-helix	trans	-67.7	-40.1	173.4	-78.1	166.5	0	0	0	112.4	E304 M305 I306 K311 K312	E304-L308 WeakPolarHBondContact O-CB 3.39Å; E304-L308 WeakPolarHBondContact O-CG 3.4Å; E304-L308 PolarHBondContact O-N 2.82Å; M305-L308 PolarHBondContact O-N 2.84Å; I306-L308 VanDerWaalsContact C-N 3.32Å; I306-L308 PolarHBondContact O-N 2.88Å; L308-K311 PolarHBondContact O-N 3.01Å; L308-K312 WeakPolarHBondContact O-CB 3.28Å; L308-K312 PolarHBondContact O-N 3.33Å
309	K	73	Confident	68.3	Low	135 Å²	135	123.1 Å²	123.1	59%	0.587	59%	0.585	S	S	*	*	H	α-helix	trans	-63	-49.5	176.5	-156.9	-166.4	-177.1	-138.6	0	110.9	M305 I306 K311 K312 E313	M305-K309 PolarHBondContact O-N 3.35Å; I306-K309 PolarHBondContact O-N 3.27Å; K309-K311 PolarHBondContact O-N 3.38Å; K309-K312 WeakPolarHBondContact O-CB 3.48Å; K309-K312 PolarHBondContact O-N 3.46Å; K309-E313 WeakPolarHBondContact CD-OE1 3.25Å; K309-E313 WeakPolarHBondContact CE-OE1 3.4Å; K309-E313 WeakPolarHBondContact CG-OE1 3.28Å; K309-E313 IonicContact NZ-OE1 2.77Å; K309-E313 PolarHBondContact NZ-OE1 3.04Å; K309-E313 PolarHBondContact O-N 3.45Å
310	M	72.5	Confident	67.7	Low	127 Å²	127	127.4 Å²	127.4	63%	0.626	60%	0.6	S	S	*	*	H	α-helix	trans	-60.4	-40.8	175.7	-74.4	-171.1	168.1	0	0	112.9	I306 K312 S314	I306-M310 PolarHBondContact O-N 3.05Å; M310-K312 VanDerWaalsContact C-N 3.3Å; M310-K312 PolarHBondContact O-N 3.04Å; M310-S314 WeakPolarHBondContact O-CB 3.36Å; M310-S314 PolarHBondContact O-N 2.89Å
311	K	77.3	Confident	66.6	Low	147 Å²	147	128.6 Å²	128.6	64%	0.639	61%	0.609	S	S	*	*	H	α-helix	trans	-64.8	-31.8	173.6	-83.2	-177	175	177.2	0	113	T307 L308 K309 R315	T307-K311 WeakPolarHBondContact O-CB 3.48Å; T307-K311 PolarHBondContact O-N 2.71Å; L308-K311 PolarHBondContact O-N 3.01Å; K309-K311 PolarHBondContact O-N 3.38Å; K311-R315 WeakPolarHBondContact O-CB 3.4Å; K311-R315 WeakPolarHBondContact O-CG 3.28Å; K311-R315 PolarHBondContact O-N 3.39Å
312	K	74.6	Confident	65.1	Low	146 Å²	146	123.7 Å²	123.7	64%	0.635	60%	0.601	S	S	*	*	H	α-helix	trans	-74.3	-46.2	177.1	-163.8	179.5	-179	-172.9	0	111.4	L308 K309 M310 R315 Q316	L308-K312 WeakPolarHBondContact O-CB 3.28Å; L308-K312 PolarHBondContact O-N 3.33Å; K309-K312 WeakPolarHBondContact O-CB 3.48Å; K309-K312 PolarHBondContact O-N 3.46Å; M310-K312 VanDerWaalsContact C-N 3.3Å; M310-K312 PolarHBondContact O-N 3.04Å; K312-R315 PolarHBondContact O-N 2.7Å; K312-Q316 PolarHBondContact O-N 3Å
313	E	67.9	Low	63.7	Low	67 Å²	67	128.4 Å²	128.4	31%	0.313	62%	0.621	S	S	.	*	H	α-helix	trans	-64.1	-42.3	176.4	-70.5	170.6	-169.8	0	0	111.6	K309 R315 Q316 R317	K309-E313 WeakPolarHBondContact CD-OE1 3.25Å; K309-E313 WeakPolarHBondContact CE-OE1 3.4Å; K309-E313 WeakPolarHBondContact CG-OE1 3.28Å; K309-E313 IonicContact NZ-OE1 2.77Å; K309-E313 PolarHBondContact NZ-OE1 3.04Å; K309-E313 PolarHBondContact O-N 3.45Å; E313-R315 VanDerWaalsContact C-N 3.32Å; E313-R315 PolarHBondContact O-N 2.93Å; E313-Q316 PolarHBondContact O-N 3.45Å; E313-Q316 VanDerWaalsContact O-N 3.16Å; E313-R317 WeakPolarHBondContact O-CG 3.39Å; E313-R317 PolarHBondContact O-N 3.11Å
314	S	66.6	Low	61.9	Low	74 Å²	74	128 Å²	128	52%	0.517	63%	0.632	S	S	.	*	H	α-helix	trans	-64.3	-33.9	174.9	-172.6	0	0	0	0	112.7	M310 K318	M310-S314 WeakPolarHBondContact O-CB 3.36Å; M310-S314 PolarHBondContact O-N 2.89Å; S314-K318 PolarHBondContact O-N 3.04Å; S314-K318 VanDerWaalsContact O-N 3.15Å
315	R	67.2	Low	60	Low	194 Å²	194	127.3 Å²	127.3	73%	0.732	64%	0.642	S	S	*	*	H	α-helix	trans	-68.8	-40.9	169.9	-86.2	-177.5	164.5	-177.6	-5.6	112.6	K311 K312 E313 K318 I319	K311-R315 WeakPolarHBondContact O-CB 3.4Å; K311-R315 WeakPolarHBondContact O-CG 3.28Å; K311-R315 PolarHBondContact O-N 3.39Å; K312-R315 PolarHBondContact O-N 2.7Å; E313-R315 VanDerWaalsContact C-N 3.32Å; E313-R315 PolarHBondContact O-N 2.93Å; R315-K318 PolarHBondContact O-N 3.26Å; R315-I319 WeakPolarHBondContact O-CD1 3.43Å; R315-I319 VanDerWaalsContact O-CG1 3.27Å; R315-I319 WeakPolarHBondContact O-CG1 3.46Å; R315-I319 PolarHBondContact O-N 3.08Å; R315-I319 VanDerWaalsContact O-N 3.09Å
316	Q	62	Low	58.2	Low	108 Å²	108	125.9 Å²	125.9	51%	0.505	65%	0.646	S	S	.	*	H	α-helix	trans	-64.3	-43.1	176.4	-78	175.8	-83.1	0	0	111.8	K312 E313 K318 I319 Q320	K312-Q316 PolarHBondContact O-N 3Å; E313-Q316 PolarHBondContact O-N 3.45Å; E313-Q316 VanDerWaalsContact O-N 3.16Å; Q316-K318 PolarHBondContact O-N 2.9Å; Q316-I319 PolarHBondContact O-N 2.76Å; Q316-I319 VanDerWaalsContact O-N 3.09Å; Q316-Q320 PolarHBondContact O-N 3.48Å; Q316-Q320 VanDerWaalsContact O-N 3.08Å
317	R	52.6	Low	56.4	Low	188 Å²	188	126.4 Å²	126.4	71%	0.709	66%	0.658	S	S	*	*	H	α-helix	trans	-60.2	-42.6	174.4	-66.8	-173.8	-165.5	-165.4	5	112.1	E313 I319 Q320 S321	E313-R317 WeakPolarHBondContact O-CG 3.39Å; E313-R317 PolarHBondContact O-N 3.11Å; R317-I319 VanDerWaalsContact C-N 3.26Å; R317-I319 PolarHBondContact O-N 3.05Å; R317-Q320 PolarHBondContact O-N 3.18Å; R317-S321 WeakPolarHBondContact O-CB 3.47Å; R317-S321 PolarHBondContact O-N 3.24Å; R317-S321 VanDerWaalsContact O-N 3.08Å; R317-S321 PolarHBondContact O-OG 2.77Å
318	K	62.6	Low	54.3	Low	165 Å²	165	131 Å²	131	72%	0.717	67%	0.674	S	S	*	*	H	α-helix	trans	-66.9	-19.7	174.5	-82.9	-166.6	171.8	-169.3	0	115	S314 R315 Q316	S314-K318 PolarHBondContact O-N 3.04Å; S314-K318 VanDerWaalsContact O-N 3.15Å; R315-K318 PolarHBondContact O-N 3.26Å; Q316-K318 PolarHBondContact O-N 2.9Å
319	I	56	Low	52	Low	129 Å²	129	132.1 Å²	132.1	66%	0.662	68%	0.679	S	S	*	*	H	α-helix	trans	-86.3	-28.1	175.4	-69.6	163.8	0	0	0	111.1	R315 Q316 R317	R315-I319 WeakPolarHBondContact O-CD1 3.43Å; R315-I319 VanDerWaalsContact O-CG1 3.27Å; R315-I319 WeakPolarHBondContact O-CG1 3.46Å; R315-I319 PolarHBondContact O-N 3.08Å; R315-I319 VanDerWaalsContact O-N 3.09Å; Q316-I319 PolarHBondContact O-N 2.76Å; Q316-I319 VanDerWaalsContact O-N 3.09Å; R317-I319 VanDerWaalsContact C-N 3.26Å; R317-I319 PolarHBondContact O-N 3.05Å
320	Q	51.8	Low	50	Low	168 Å²	168	133.2 Å²	133.2	79%	0.785	69%	0.692	S	S	*	*	H	α-helix	trans	-85.3	-24.4	177.6	-73	176	-33.4	0	0	113.7	Q316 R317 G322	Q316-Q320 PolarHBondContact O-N 3.48Å; Q316-Q320 VanDerWaalsContact O-N 3.08Å; R317-Q320 PolarHBondContact O-N 3.18Å; Q320-G322 PolarHBondContact O-N 2.91Å
321	S	46.7	Very low	47.9	Very low	100 Å²	100	136.4 Å²	136.4	70%	0.699	70%	0.698	S	S	*	*	S	Bend	trans	-93.1	22	-174.8	78.5	0	0	0	0	115.4	R317	R317-S321 WeakPolarHBondContact O-CB 3.47Å; R317-S321 PolarHBondContact O-N 3.24Å; R317-S321 VanDerWaalsContact O-N 3.08Å; R317-S321 PolarHBondContact O-OG 2.77Å
322	G	38.1	Very low	45.7	Very low	48 Å²	48	136.6 Å²	136.6	50%	0.495	71%	0.706	S	S	.	*			trans	-169	87.8	-174.9	0	0	0	0	0	114.3	Q320	Q320-G322 PolarHBondContact O-N 2.91Å
323	N	35.4	Very low	43.8	Very low	163 Å²	163	135.8 Å²	135.8	87%	0.872	71%	0.714	S	S	*	*			trans	-162.8	94.2	156.2	-98.7	-31	0	0	0	110.2
324	N	33.5	Very low	42.1	Very low	163 Å²	163	145 Å²	145	87%	0.872	75%	0.746	S	S	*	*			trans	-139.4	145.2	155.4	-112	-17.1	0	0	0	108
325	S	33	Very low	40.4	Very low	116 Å²	116	150.5 Å²	150.5	81%	0.811	76%	0.763	S	S	*	*	S	Bend	trans	61.6	97	-179.3	59.7	0	0	0	0	119
326	S	29.6	Very low	38.9	Very low	111 Å²	111	146 Å²	146	78%	0.776	76%	0.761	S	S	*	*				67.4	122.6	117.4	-154.1	0	0	0	0	122.8
327	S	31.9	Very low	37.5	Very low	112 Å²	112	148.4 Å²	148.4	78%	0.783	78%	0.776	S	S	*	*			trans	89.3	139.8	138.8	75.6	0	0	0	0	121.6
328	H	32.5	Very low	36.6	Very low	173 Å²	173	147.9 Å²	147.9	80%	0.801	78%	0.782	S	S	*	*			trans	73.7	100.5	164.4	-130.5	-72.5	0	0	0	121.3
329	L	27	Very low	35.1	Very low	140 Å²	140	148.4 Å²	148.4	73%	0.733	78%	0.784	S	S	*	*			trans	-26.8	142	149.4	-60.9	151.9	0	0	0	115.7
330	D	31.7	Very low	34	Very low	158 Å²	158	152.9 Å²	152.9	85%	0.845	79%	0.794	S	S	*	*				-153	158	107.4	-149.9	-6	0	0	0	112.7
331	Y	28.2	Very low	33.2	Very low	195 Å²	195	148.8 Å²	148.8	77%	0.765	78%	0.781	S	S	*	*			trans	-76.8	145.2	176.1	-103	-118.9	0	0	0	111.7
332	N	31.1	Very low	32.7	Very low	150 Å²	150	152.3 Å²	152.3	80%	0.802	78%	0.783	S	S	*	*			trans	141.7	70	147.4	-73.9	-42.1	0	0	0	115.2
333	T	34.2	Very low	32.3	Very low	129 Å²	129	156.5 Å²	156.5	79%	0.791	79%	0.794	S	S	*	*			trans	-155.7	23.3	158.3	-17.5	0	0	0	0	116.5	E335	T333-E335 PolarHBondContact O-N 3.26Å
334	W	32.4	Very low	32.4	Very low	262 Å²	262	153.9 Å²	153.9	99%	0.992	79%	0.786	S	S	*	*	S	Bend	trans	-91.8	17.1	-170.2	-142.5	-34.5	0	0	0	116.1
335	E	31.4	Very low	32.3	Very low	189 Å²	189	151.8 Å²	151.8	88%	0.883	77%	0.774	S	S	*	*	S	Bend	trans	-121.3	-6.7	-178.8	-89.3	-153.1	136.5	0	0	117.3	T333	T333-E335 PolarHBondContact O-N 3.26Å
336	S	35.4	Very low	32.3	Very low	99 Å²	99	156.4 Å²	156.4	69%	0.692	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-16.8	-160	-55.9	0	0	0	0	118.3
337	I	33.3	Very low	32.6	Very low	159 Å²	159	158.2 Å²	158.2	82%	0.815	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.9	57.2	-178.7	-39.5	179.4	0	0	0	113.5
338	Q	32.7	Very low	32.7	Very low	176 Å²	176	161.3 Å²	161.3	82%	0.822	77%	0.772	S	S	*	*			trans	-95.1	155.2	130.4	-75.9	-161.1	-2.8	0	0	108.3
339	K	31	Very low	32.7	Very low	176 Å²	176	156.8 Å²	156.8	77%	0.765	77%	0.772	S	S	*	*			trans	82.4	82.1	-178.4	-53.3	165.6	-179.9	163	0	116.5	T341	K339-T341 HydrophobicContact CB-CG2 4.04Å
340	Y	33.4	Very low	33.3	Very low	223 Å²	223	154.9 Å²	154.9	88%	0.875	77%	0.768	S	S	*	*				-124.3	92.4	121.1	-85	-89.2	0	0	0	106.7
341	T	35.8	Very low	33.4	Very low	82 Å²	82	153.5 Å²	153.5	50%	0.503	76%	0.76	S	S	.	*				60.2	133.7	74.6	71.6	0	0	0	0	112.8	K339	K339-T341 HydrophobicContact CB-CG2 4.04Å
342	K	34.4	Very low	33.6	Very low	174 Å²	174	151.2 Å²	151.2	76%	0.757	76%	0.756	S	S	*	*			cis	-157.1	140	8.1	-107.3	150.2	-171.7	178.1	0	106
343	L	31.6	Very low	33.8	Very low	136 Å²	136	151 Å²	151	71%	0.712	75%	0.75	S	S	*	*				58.7	148.4	93.7	-71.7	177.9	0	0	0	114.6
344	P	36	Very low	33.8	Very low	108 Å²	108	149.6 Å²	149.6	70%	0.701	75%	0.745	S	S	*	*			cis	-143.5	148.3	34.9	39.1	-18.8	0	0	0	120
345	D	31.3	Very low	33.8	Very low	119 Å²	119	148.6 Å²	148.6	64%	0.636	74%	0.741	S	S	*	*				51.6	159.2	124.1	-48.1	-28.8	0	0	0	125
346	R	33.2	Very low	33.9	Very low	213 Å²	213	145.4 Å²	145.4	80%	0.804	74%	0.74	S	S	*	*			trans	92.5	130	156.9	-59	-175.9	-178.7	-165.9	-1.9	116.4
347	H	36.7	Very low	33.8	Very low	150 Å²	150	144 Å²	144	69%	0.694	74%	0.74	S	S	*	*			cis	-148.1	150.1	-4.4	-104.5	-64	0	0	0	111.8
348	H	34.5	Very low	33.8	Very low	177 Å²	177	141.9 Å²	141.9	82%	0.819	74%	0.74	S	S	*	*			trans	-29.2	151.1	153.7	-70.9	-90.4	0	0	0	118.6
349	G	32.6	Very low	34	Very low	77 Å²	77	140.1 Å²	140.1	79%	0.794	74%	0.736	S	S	*	*			trans	-168.9	94.7	158.5	0	0	0	0	0	111.4
350	P	38.4	Very low	34.2	Very low	100 Å²	100	138.1 Å²	138.1	65%	0.649	73%	0.733	S	S	*	*			trans	-109.8	-165.9	-175.9	31.6	-15.3	0	0	0	113.2
351	L	33.4	Very low	34.2	Very low	130 Å²	130	131.7 Å²	131.7	68%	0.681	72%	0.721	S	S	*	*			trans	91.7	110.3	163.4	-51.9	167	0	0	0	114.2
352	Q	33.2	Very low	34.1	Very low	147 Å²	147	134.8 Å²	134.8	69%	0.687	73%	0.733	S	S	*	*				80.8	153.6	86.8	-78.3	175.6	-2.1	0	0	112.5
353	H	35.8	Very low	34	Very low	146 Å²	146	131.2 Å²	131.2	68%	0.676	73%	0.73	S	S	*	*			cis	-161	157.6	15.2	-126.7	-49.2	0	0	0	110.3
354	S	32.5	Very low	34	Very low	99 Å²	99	129.6 Å²	129.6	69%	0.692	73%	0.73	S	S	*	*			trans	69.8	156.2	145.8	77.8	0	0	0	0	118.6
355	R	33.4	Very low	34	Very low	241 Å²	241	128.6 Å²	128.6	91%	0.909	73%	0.731	S	S	*	*			cis	-154.4	170.4	6.2	-137.8	160.1	-170.9	-173	1.5	111.5
356	S	32.6	Very low	34.1	Very low	121 Å²	121	128.7 Å²	128.7	85%	0.846	74%	0.74	S	S	*	*			trans	-87	159.4	-171	50.6	0	0	0	0	116.9
357	G	33.6	Very low	34.1	Very low	69 Å²	69	123.2 Å²	123.2	71%	0.711	74%	0.735	S	S	*	*			trans	165	107.3	161.5	0	0	0	0	0	108.9
358	S	33.2	Very low	34	Very low	115 Å²	115	123.4 Å²	123.4	80%	0.804	74%	0.736	S	S	*	*				61.1	121.4	76.5	-149.4	0	0	0	0	110.6
359	L	36.4	Very low	33.8	Very low	140 Å²	140	122.1 Å²	122.1	73%	0.733	73%	0.734	S	S	*	*				-156.7	160.5	52.1	-83.5	161.8	0	0	0	113.1
360	D	35.6	Very low	33.8	Very low	134 Å²	134	123.2 Å²	123.2	72%	0.717	73%	0.73	S	S	*	*			trans	61.1	146.6	142.3	-67.6	-31.2	0	0	0	123.1
361	S	33.5	Very low	33.5	Very low	87 Å²	87	127.7 Å²	127.7	61%	0.608	74%	0.739	S	S	*	*			cis	-171.6	146.6	-23.1	-112.3	0	0	0	0	111.2
362	I	34.7	Very low	33.4	Very low	147 Å²	147	127.9 Å²	127.9	75%	0.754	75%	0.746	S	S	*	*			trans	78.6	104	146.5	-65.5	163.7	0	0	0	117.2
363	S	32	Very low	33.4	Very low	100 Å²	100	125.9 Å²	125.9	70%	0.699	75%	0.748	S	S	*	*				93	152.6	80.5	113.2	0	0	0	0	112.9
364	S	32.2	Very low	33.1	Very low	102 Å²	102	123 Å²	123	71%	0.713	75%	0.749	S	S	*	*			cis	-171.9	172.1	-5.5	38.3	0	0	0	0	111.4
365	A	34.8	Very low	33.1	Very low	87 Å²	87	129 Å²	129	72%	0.719	76%	0.758	S	S	*	*			trans	71.7	121.9	156.3	0	0	0	0	0	118
366	S	33	Very low	33	Very low	120 Å²	120	122.7 Å²	122.7	84%	0.839	75%	0.751	S	S	*	*				75.6	149.3	65.1	-71.5	0	0	0	0	114
367	S	33.2	Very low	33	Very low	98 Å²	98	120.5 Å²	120.5	69%	0.685	75%	0.747	S	S	*	*			cis	-178.8	-178.8	-13.3	178.2	0	0	0	0	107.4
368	Q	34.9	Very low	32.9	Very low	155 Å²	155	128.9 Å²	128.9	72%	0.724	76%	0.758	S	S	*	*			trans	82.3	122.1	158.6	-54.5	-158	-7.2	0	0	118.4
369	L	30	Very low	32.9	Very low	149 Å²	149	128.6 Å²	128.6	78%	0.78	76%	0.756	S	S	*	*				80.7	149.6	103.8	-65.8	177.9	0	0	0	112.9
370	S	33.7	Very low	33	Very low	101 Å²	101	125.8 Å²	125.8	71%	0.706	75%	0.747	S	S	*	*			cis	-161.6	144	10.9	38.2	0	0	0	0	113.3
371	K	31.3	Very low	33.1	Very low	194 Å²	194	127.8 Å²	127.8	84%	0.843	75%	0.752	S	S	*	*			trans	26	133.9	132.9	-74.8	-176.1	179	176.5	0	122.8
372	V	31.3	Very low	33.3	Very low	134 Å²	134	128.7 Å²	128.7	81%	0.812	76%	0.758	S	S	*	*				94.7	134.3	121.9	164.3	0	0	0	0	122.3
373	S	32.9	Very low	33.5	Very low	105 Å²	105	127 Å²	127	73%	0.734	76%	0.76	S	S	*	*			trans	108.4	129.6	149.4	-150.3	0	0	0	0	118.5
374	A	29.9	Very low	34	Very low	85 Å²	85	127.5 Å²	127.5	70%	0.702	76%	0.761	S	S	*	*			trans	-74.6	159.4	158.6	0	0	0	0	0	110.7
375	Y	32.6	Very low	34.2	Very low	225 Å²	225	129.9 Å²	129.9	88%	0.882	77%	0.765	S	S	*	*			trans	-161.9	154.3	134	-117.2	-79.8	0	0	0	111
376	S	30.6	Very low	34.2	Very low	109 Å²	109	135.1 Å²	135.1	76%	0.762	77%	0.766	S	S	*	*			trans	-89.7	146.3	179.6	54.5	0	0	0	0	113.4
377	G	33.1	Very low	34.3	Very low	74 Å²	74	137.9 Å²	137.9	76%	0.763	76%	0.759	S	S	*	*			trans	149.9	103.2	166.7	0	0	0	0	0	110.9
378	R	31.7	Very low	34.3	Very low	246 Å²	246	143.7 Å²	143.7	93%	0.928	77%	0.766	S	S	*	*				89.7	129.1	60.5	-170	-178	-163.9	-135.9	5.5	112
379	S	34.2	Very low	34.2	Very low	109 Å²	109	145.9 Å²	145.9	76%	0.762	77%	0.773	S	S	*	*			trans	78.7	147	171.3	122.6	0	0	0	0	116.2
380	S	37	Very low	34.4	Very low	80 Å²	80	143.9 Å²	143.9	56%	0.559	77%	0.771	S	S	*	*			cis	-174.2	164.3	-12.4	45.6	0	0	0	0	112.9
381	H	39.2	Very low	34.3	Very low	176 Å²	176	144.1 Å²	144.1	82%	0.815	77%	0.773	S	S	*	*			trans	64.8	147.9	164.3	-55.9	-61.6	0	0	0	117.2
382	S	37.6	Very low	34.5	Very low	106 Å²	106	142 Å²	142	74%	0.741	78%	0.777	S	S	*	*			cis	-166.8	163.5	0.5	25.6	0	0	0	0	108.2
383	S	37.7	Very low	34.5	Very low	113 Å²	113	140.5 Å²	140.5	79%	0.79	77%	0.772	S	S	*	*			cis	-158.6	173.3	-0.9	-107.8	0	0	0	0	111.6
384	P	42.8	Very low	34.6	Very low	110 Å²	110	142.4 Å²	142.4	71%	0.714	77%	0.773	S	S	*	*			trans	-127.5	-171.2	-167.6	43.9	-29.9	0	0	0	115
385	L	36.2	Very low	34.7	Very low	151 Å²	151	144 Å²	144	79%	0.791	77%	0.774	S	S	*	*			trans	-172.4	110.4	147.9	-97.7	159.9	0	0	0	109.8
386	R	36.1	Very low	34.7	Very low	198 Å²	198	138.8 Å²	138.8	75%	0.747	77%	0.771	S	S	*	*				55.1	145.8	95.8	-55	-170.5	-178.8	-174.5	2.8	115.7
387	Y	33.6	Very low	34.8	Very low	178 Å²	178	136.4 Å²	136.4	70%	0.698	76%	0.763	S	S	*	*			cis	-151.2	-178.1	29.9	-106.9	-106.4	0	0	0	109.3
388	R	34.1	Very low	34.9	Very low	219 Å²	219	141.4 Å²	141.4	83%	0.826	77%	0.767	S	S	*	*				-166.5	149.3	-53.1	-170.2	-179.5	-173.5	-174.2	2.7	107.4
389	K	31.9	Very low	35.1	Very low	202 Å²	202	136.3 Å²	136.3	88%	0.878	75%	0.754	S	S	*	*			trans	-90.3	150.1	179.3	-68.8	-178.5	176.2	-178.7	0	114.4
390	S	35	Very low	35.1	Very low	106 Å²	106	136.7 Å²	136.7	74%	0.741	75%	0.746	S	S	*	*			trans	-175.2	110.3	147.8	47.7	0	0	0	0	108.8
391	S	31.5	Very low	34.9	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	75%	0.751	S	S	*	*				61.8	105.1	75.7	72.2	0	0	0	0	115.7
392	T	35.4	Very low	34.6	Very low	150 Å²	150	142.7 Å²	142.7	92%	0.92	75%	0.749	S	S	*	*				-170.7	148.8	127.2	25	0	0	0	0	111.7
393	S	31.4	Very low	34.5	Very low	102 Å²	102	142.7 Å²	142.7	71%	0.713	75%	0.749	S	S	*	*			trans	-81.4	162.5	177.4	50.5	0	0	0	0	114
394	L	34.3	Very low	34.2	Very low	146 Å²	146	142.4 Å²	142.4	76%	0.764	75%	0.747	S	S	*	*			trans	168.1	117.2	132.9	-88.9	158.3	0	0	0	107.8
395	T	32.2	Very low	33.8	Very low	117 Å²	117	146.6 Å²	146.6	72%	0.718	76%	0.757	S	S	*	*				52	138.2	104	64	0	0	0	0	114.7
396	S	32.4	Very low	33.5	Very low	116 Å²	116	144.5 Å²	144.5	81%	0.811	76%	0.755	S	S	*	*			cis	-179	169.9	6.2	39.1	0	0	0	0	108.9
397	G	34.2	Very low	33.7	Very low	59 Å²	59	139.9 Å²	139.9	61%	0.608	75%	0.751	S	S	*	*			trans	103.1	116.9	162.1	0	0	0	0	0	112.6
398	Q	35.4	Very low	33.6	Very low	179 Å²	179	138 Å²	138	84%	0.836	75%	0.753	S	S	*	*				90.4	135.2	73.5	-89.8	-176.3	-42.4	0	0	110.3
399	Q	34.2	Very low	33.5	Very low	140 Å²	140	134.2 Å²	134.2	65%	0.654	75%	0.749	S	S	*	*			cis	-173.9	179.3	-13	-142.9	-179.1	-15.8	0	0	107
400	I	34.3	Very low	33.7	Very low	117 Å²	117	133.1 Å²	133.1	60%	0.6	75%	0.752	S	S	*	*			trans	71.2	135.5	147.2	-72.3	161.4	0	0	0	116
401	R	34.5	Very low	33.6	Very low	177 Å²	177	135 Å²	135	67%	0.668	75%	0.754	S	S	*	*			cis	-165.4	152.5	-8.5	-107	176.2	-168	169.2	-0.2	108.1
402	R	32.7	Very low	33.7	Very low	204 Å²	204	137.6 Å²	137.6	77%	0.77	75%	0.754	S	S	*	*			trans	43.9	151.1	132.4	-52.8	173.8	-179	-178.5	-5	119.2
403	S	34.9	Very low	33.5	Very low	107 Å²	107	135.2 Å²	135.2	75%	0.748	74%	0.743	S	S	*	*			cis	-158.1	154	21.6	-19.5	0	0	0	0	112.2
404	S	30.5	Very low	33.4	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	75%	0.752	S	S	*	*			trans	-22.5	139.7	154.8	52.2	0	0	0	0	119.3
405	Q	34.2	Very low	33.2	Very low	199 Å²	199	138.8 Å²	138.8	93%	0.93	75%	0.748	S	S	*	*				-165.3	161.9	119.9	-106.5	165.7	3.3	0	0	112.5
406	S	30.2	Very low	33.1	Very low	107 Å²	107	140.9 Å²	140.9	75%	0.748	74%	0.744	S	S	*	*			trans	-166.6	159.9	-172.7	173.8	0	0	0	0	105.8
407	P	41.5	Very low	33.4	Very low	101 Å²	101	141 Å²	141	66%	0.656	75%	0.745	S	S	*	*			cis	-127.9	-167.1	-1.4	37.5	-18.5	0	0	0	113.8
408	N	31.3	Very low	33.2	Very low	137 Å²	137	147.2 Å²	147.2	73%	0.733	76%	0.755	S	S	*	*			trans	77.3	152	152.3	-75.4	12.9	0	0	0	121.5
409	D	31.3	Very low	33.1	Very low	141 Å²	141	146.4 Å²	146.4	75%	0.754	75%	0.748	S	S	*	*			trans	62.1	116.1	165.9	-48.3	-28.7	0	0	0	118
410	L	37.3	Very low	33	Very low	179 Å²	179	149.3 Å²	149.3	94%	0.937	75%	0.753	S	S	*	*				-172.9	149.8	109.8	-94.9	167.3	0	0	0	111.6
411	D	32.2	Very low	32.9	Very low	146 Å²	146	154.1 Å²	154.1	78%	0.781	77%	0.766	S	S	*	*			trans	-93.2	-179.1	-174.6	-157	-8.7	0	0	0	111.9
412	E	32.4	Very low	32.9	Very low	160 Å²	160	154.6 Å²	154.6	75%	0.748	78%	0.775	S	S	*	*			trans	74.8	122.5	152.4	-73	-160	131.6	0	0	122.4
413	S	31.9	Very low	32.9	Very low	99 Å²	99	154.6 Å²	154.6	69%	0.692	78%	0.775	S	S	*	*				102	106.6	124.1	76.4	0	0	0	0	121.8
414	Y	29.5	Very low	32.7	Very low	226 Å²	226	156.7 Å²	156.7	89%	0.886	77%	0.773	S	S	*	*				55.1	128.2	118.3	-88	-83.1	0	0	0	124.2
415	S	29.9	Very low	33	Very low	98 Å²	98	156.7 Å²	156.7	69%	0.685	78%	0.779	S	S	*	*			trans	85.9	124	130.3	-153.6	0	0	0	0	120.2
416	Y	31.2	Very low	32.8	Very low	161 Å²	161	158.3 Å²	158.3	63%	0.631	78%	0.777	S	S	*	*				169.2	129.9	89.8	-159.7	-93.6	0	0	0	111.8	K419	Y416-K419 PolarHBondContact OH-NZ 3.12Å
417	S	36.7	Very low	33.1	Very low	119 Å²	119	161.5 Å²	161.5	83%	0.832	78%	0.78	S	S	*	*			trans	174.6	107	134.5	-83.5	0	0	0	0	113
418	K	30.4	Very low	32.9	Very low	188 Å²	188	163.5 Å²	163.5	82%	0.817	79%	0.79	S	S	*	*			trans	-147	125.5	172	-169.2	-177.1	-172.3	-178.4	0	108.4
419	K	34.2	Very low	33	Very low	162 Å²	162	161.5 Å²	161.5	70%	0.704	79%	0.793	S	S	*	*			trans	159	145.2	172.8	-91.8	149	-172.7	174	0	106.8	Y416	Y416-K419 PolarHBondContact OH-NZ 3.12Å
420	R	31.4	Very low	33.5	Very low	201 Å²	201	160.4 Å²	160.4	76%	0.758	79%	0.794	S	S	*	*			cis	-146.6	158.7	-2.5	-98.5	169.4	176.8	170.8	-2.4	105.5
421	Y	33.6	Very low	33.8	Very low	218 Å²	218	157.7 Å²	157.7	86%	0.855	79%	0.787	S	S	*	*				-164.3	145.9	69.1	-102	-93.7	0	0	0	111.8
422	H	32.6	Very low	34.2	Very low	188 Å²	188	156.6 Å²	156.6	87%	0.87	79%	0.788	S	S	*	*			trans	-97.3	155.9	163.4	-91.2	-84.4	0	0	0	109.8
423	R	32.9	Very low	34.3	Very low	203 Å²	203	158.1 Å²	158.1	77%	0.766	80%	0.795	S	S	*	*				154.1	135.3	112.4	-179.5	171.9	-92.5	-122.5	8.7	113.5
424	E	31.6	Very low	34.3	Very low	152 Å²	152	158.1 Å²	158.1	71%	0.71	80%	0.795	S	S	*	*			trans	53.3	114.6	157.8	-72.1	147.2	-156.4	0	0	121.9
425	A	37.1	Very low	34.4	Very low	105 Å²	105	153 Å²	153	87%	0.868	79%	0.787	S	S	*	*				-154.6	142.2	109.8	0	0	0	0	0	109.7
426	R	29.9	Very low	34.4	Very low	234 Å²	234	159.9 Å²	159.9	88%	0.883	80%	0.798	S	S	*	*			trans	-94.9	170.8	178.5	-74.6	175.4	162.4	175.9	-6.7	111.3
427	E	36.3	Very low	34.4	Very low	173 Å²	173	160.2 Å²	160.2	81%	0.808	81%	0.805	S	S	*	*			trans	111	131	148.2	-59	-173.3	172.3	0	0	119.6
428	T	37.1	Very low	34.1	Very low	143 Å²	143	165.6 Å²	165.6	88%	0.877	81%	0.809	S	S	*	*			trans	68.8	97	166.9	62	0	0	0	0	119.3
429	A	34.5	Very low	34.1	Very low	96 Å²	96	162.6 Å²	162.6	79%	0.793	81%	0.806	S	S	*	*			trans	-111.2	159.6	148.3	0	0	0	0	0	109.3
430	P	41.7	Very low	34.1	Very low	118 Å²	118	157.5 Å²	157.5	77%	0.766	80%	0.8	S	S	*	*			trans	-110.5	159	150.8	35	-27.9	0	0	0	112.1
431	P	42.9	Very low	34.4	Very low	122 Å²	122	154.1 Å²	154.1	79%	0.792	80%	0.803	S	S	*	*			trans	-90	176.9	-161.2	-5.3	26.7	0	0	0	114.6
432	P	41.3	Very low	34.4	Very low	123 Å²	123	150.8 Å²	150.8	80%	0.799	80%	0.801	S	S	*	*			trans	-89	143.8	-176.2	35.3	-32.9	0	0	0	113.2
433	E	34.6	Very low	34.6	Very low	192 Å²	192	149.7 Å²	149.7	90%	0.897	80%	0.796	S	S	*	*			trans	-139.4	131.6	169.9	-86.4	-165	149.3	0	0	114.4
434	S	31.2	Very low	34.6	Very low	99 Å²	99	147 Å²	147	69%	0.692	80%	0.795	S	S	*	*			trans	61	107.2	133.8	-157.3	0	0	0	0	121.4
435	T	30.8	Very low	34.7	Very low	118 Å²	118	144.1 Å²	144.1	72%	0.724	79%	0.792	S	S	*	*				34.4	111.7	124	-3.3	0	0	0	0	119
436	R	31.6	Very low	34.7	Very low	242 Å²	242	145.6 Å²	145.6	91%	0.913	79%	0.789	S	S	*	*			trans	-145.1	116.3	153.2	-114.9	177.2	-172	172.4	5.3	113
437	H	29.3	Very low	34.8	Very low	168 Å²	168	143.5 Å²	143.5	78%	0.778	79%	0.787	S	S	*	*			trans	-54.7	136.3	168.9	-61.5	-80.4	0	0	0	111.5	V439	H437-V439 HydrophobicContact CB-CG2 4.37Å
438	Y	30.8	Very low	34.8	Very low	232 Å²	232	144.3 Å²	144.3	91%	0.91	79%	0.793	S	S	*	*			trans	-104.3	78	166.1	-131.1	-86.7	0	0	0	110.3	G440	Y438-G440 PolarHBondContact O-N 3.49Å
439	V	31.4	Very low	34.5	Very low	126 Å²	126	145 Å²	145	76%	0.764	78%	0.784	S	S	*	*			trans	-78.4	102.1	167.6	178.3	0	0	0	0	108.1	H437	H437-V439 HydrophobicContact CB-CG2 4.37Å
440	G	34.6	Very low	34.7	Very low	55 Å²	55	149.6 Å²	149.6	57%	0.567	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-70	132.9	170.2	0	0	0	0	0	110.8	Y438 N442	Y438-G440 PolarHBondContact O-N 3.49Å; G440-N442 PolarHBondContact O-N 2.82Å
441	P	37	Very low	34.5	Very low	129 Å²	129	153 Å²	153	84%	0.838	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-80.6	123	-160.5	30	-35.4	0	0	0	113.5
442	N	33.2	Very low	34	Very low	149 Å²	149	158.5 Å²	158.5	80%	0.797	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-80	153	161.7	-141.5	-20.7	0	0	0	110.1	G440	G440-N442 PolarHBondContact O-N 2.82Å
443	Q	37	Very low	33.6	Very low	164 Å²	164	163 Å²	163	77%	0.766	80%	0.803	S	S	*	*			trans	70.2	102.6	171	-50.9	-172.9	36.2	0	0	119.6	S445	Q443-S445 PolarHBondContact O-N 2.76Å
444	I	32.8	Very low	33.7	Very low	148 Å²	148	157 Å²	157	76%	0.759	79%	0.793	S	S	*	*			trans	-72.8	100.4	149.2	-62	170.6	0	0	0	108
445	S	34.4	Very low	34	Very low	91 Å²	91	158.7 Å²	158.7	64%	0.636	79%	0.794	S	S	*	*			trans	-105.2	129.1	165.2	96.1	0	0	0	0	110.6	Q443	Q443-S445 PolarHBondContact O-N 2.76Å
446	V	36.7	Very low	34.2	Very low	135 Å²	135	160.5 Å²	160.5	82%	0.818	79%	0.792	S	S	*	*			trans	-87.8	112.8	-178.5	177.7	0	0	0	0	108.8
447	K	32.3	Very low	34.3	Very low	190 Å²	190	158.5 Å²	158.5	83%	0.826	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.1	127.7	173.4	-72.7	176.8	177.4	170.6	0	110.9
448	M	34.9	Very low	34.5	Very low	190 Å²	190	158 Å²	158	94%	0.936	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-102.8	134.6	143.4	-83.1	-164.6	172.4	0	0	109.3
449	K	32.7	Very low	34.5	Very low	159 Å²	159	151.4 Å²	151.4	69%	0.691	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-72.6	141	-180	-62.9	174.7	175.4	179.4	0	109.6	D1098	K449-D1098 IonicContact NZ-OD1 2.69Å; K449-D1098 PolarHBondContact NZ-OD1 2.81Å
450	H	38.7	Very low	34.6	Very low	191 Å²	191	149.7 Å²	149.7	88%	0.884	77%	0.769	S	S	*	*			trans	-160.8	87.2	134	-100.3	-66.4	0	0	0	114
451	K	35.9	Very low	34.6	Very low	191 Å²	191	155 Å²	155	83%	0.83	78%	0.78	S	S	*	*			trans	42.2	89.3	132.8	-148.7	171.5	-172.9	178.6	0	121.7
452	R	32.4	Very low	34.4	Very low	236 Å²	236	153.8 Å²	153.8	89%	0.891	77%	0.774	S	S	*	*				53.2	140.5	122.6	-76.1	-172.3	169.9	179.8	-3.2	123.6
453	K	34.4	Very low	34.3	Very low	217 Å²	217	154.1 Å²	154.1	94%	0.943	78%	0.776	S	S	*	*			trans	98.2	129.2	158.2	-68.9	-170.1	171	-170.6	0	115.1
454	G	34.8	Very low	34.1	Very low	66 Å²	66	154.1 Å²	154.1	68%	0.68	78%	0.781	S	S	*	*			cis	159.9	155.5	-8.5	0	0	0	0	0	112.2
455	D	37.8	Very low	33.8	Very low	136 Å²	136	158.1 Å²	158.1	73%	0.727	79%	0.788	S	S	*	*			trans	64.7	148.4	170.8	-68.3	-39	0	0	0	116.2
456	K	36.2	Very low	33.7	Very low	155 Å²	155	157.2 Å²	157.2	67%	0.674	79%	0.793	S	S	*	*			cis	-172.4	157.9	-16.1	-122.1	176	-170.1	110.4	0	108.7
457	R	33.5	Very low	33.3	Very low	200 Å²	200	157.3 Å²	157.3	76%	0.755	79%	0.794	S	S	*	*			trans	67.8	153.6	157.8	-64.8	-179.9	166.7	150.9	0.2	117.6
458	E	33.2	Very low	33.3	Very low	158 Å²	158	155.6 Å²	155.6	74%	0.738	79%	0.794	S	S	*	*			cis	-154.6	179.9	-16.9	-116.7	149.9	-160.9	0	0	108.6
459	A	31.6	Very low	33.1	Very low	94 Å²	94	153.7 Å²	153.7	78%	0.777	79%	0.787	S	S	*	*			trans	-49.8	170.2	176.4	0	0	0	0	0	115.1
460	S	32.4	Very low	32.9	Very low	89 Å²	89	150.2 Å²	150.2	62%	0.622	79%	0.787	S	S	*	*			cis	-161.1	-178.4	26.7	52.9	0	0	0	0	114.1
461	E	33.8	Very low	32.5	Very low	168 Å²	168	146.3 Å²	146.3	79%	0.785	78%	0.781	S	S	*	*			trans	85.2	97.5	146.8	-81.6	148.1	-108.4	0	0	122.3
462	S	33.8	Very low	32.5	Very low	102 Å²	102	146.7 Å²	146.7	71%	0.713	78%	0.783	S	S	*	*				66.9	106.7	121.5	61.6	0	0	0	0	121.5
463	N	30.5	Very low	32.7	Very low	157 Å²	157	146.1 Å²	146.1	84%	0.84	78%	0.781	S	S	*	*				19.1	123.2	127.8	-65.9	-6	0	0	0	118.6
464	N	32.3	Very low	32.6	Very low	164 Å²	164	143.7 Å²	143.7	88%	0.877	77%	0.773	S	S	*	*				-146.7	128.1	129.3	-145.4	-8.6	0	0	0	111.6
465	Y	27.8	Very low	32.7	Very low	231 Å²	231	149.4 Å²	149.4	91%	0.906	78%	0.779	S	S	*	*			trans	-76.3	133.1	167.8	-94	-94.5	0	0	0	108.5
466	G	31.5	Very low	32.5	Very low	72 Å²	72	151 Å²	151	74%	0.742	79%	0.787	S	S	*	*			trans	-157.6	91.7	-176.4	0	0	0	0	0	112.3	N468	G466-N468 PolarHBondContact O-N 3.47Å
467	V	29.3	Very low	32.1	Very low	137 Å²	137	148.2 Å²	148.2	83%	0.83	79%	0.787	S	S	*	*			trans	-61	127.1	166.9	-176.1	0	0	0	0	108.4
468	N	32.6	Very low	32.1	Very low	155 Å²	155	146.1 Å²	146.1	83%	0.829	79%	0.785	S	S	*	*			trans	-161.9	155.1	150.3	-112.5	-47.7	0	0	0	117	G466	G466-N468 PolarHBondContact O-N 3.47Å
469	L	28.9	Very low	32.2	Very low	150 Å²	150	144.4 Å²	144.4	79%	0.785	78%	0.781	S	S	*	*			trans	-72.9	164.8	-171.7	-95.5	64.3	0	0	0	116.1
470	A	29.9	Very low	32.3	Very low	85 Å²	85	144.9 Å²	144.9	70%	0.702	78%	0.779	S	S	*	*			trans	88.2	124.9	134.9	0	0	0	0	0	122.6
471	S	30.7	Very low	32.3	Very low	109 Å²	109	149.2 Å²	149.2	76%	0.762	79%	0.79	S	S	*	*			trans	72.8	113.8	131.8	-62.7	0	0	0	0	121.3
472	K	35.9	Very low	32.3	Very low	199 Å²	199	148.5 Å²	148.5	87%	0.865	80%	0.797	S	S	*	*				179.9	159.7	100.4	-105.1	169.1	178	167.9	0	116
473	R	35.6	Very low	32.2	Very low	225 Å²	225	152.1 Å²	152.1	85%	0.849	80%	0.802	S	S	*	*			trans	74.4	98.4	169.6	-70.6	174	162.6	167.5	-6.1	115.4
474	E	33.2	Very low	32.2	Very low	166 Å²	166	151.8 Å²	151.8	78%	0.776	80%	0.796	S	S	*	*				57.6	112	56.8	-51.8	-176.9	120.3	0	0	114.8
475	K	36.4	Very low	32.3	Very low	186 Å²	186	149.9 Å²	149.9	81%	0.809	79%	0.785	S	S	*	*				-179.9	152.9	93	-100.4	-167.5	177.6	-172.9	0	113.7
476	L	33.3	Very low	32.5	Very low	168 Å²	168	146 Å²	146	88%	0.88	78%	0.775	S	S	*	*			trans	86.3	102.2	158.8	-65.8	153.1	0	0	0	120.1
477	S	28.8	Very low	32.7	Very low	97 Å²	97	148.8 Å²	148.8	68%	0.678	77%	0.772	S	S	*	*			trans	-136	169.1	143.5	57.7	0	0	0	0	108.2
478	Q	32.4	Very low	32.8	Very low	156 Å²	156	150.2 Å²	150.2	73%	0.729	77%	0.769	S	S	*	*			trans	72.7	145.6	169.3	-65	-174.6	-83.2	0	0	116.2
479	D	35.4	Very low	32.9	Very low	122 Å²	122	149.5 Å²	149.5	65%	0.652	77%	0.765	S	S	*	*			cis	-159.4	178	0.1	-104.5	-19.4	0	0	0	111.3
480	S	33.7	Very low	33.2	Very low	105 Å²	105	146.4 Å²	146.4	73%	0.734	76%	0.756	S	S	*	*			trans	63.8	119.6	162.4	56	0	0	0	0	118.4
481	E	31.8	Very low	33.5	Very low	179 Å²	179	150.7 Å²	150.7	84%	0.836	76%	0.761	S	S	*	*				60.8	105.1	73.6	-69.6	-165.1	157.1	0	0	114.9
482	T	34.7	Very low	33.8	Very low	153 Å²	153	150.5 Å²	150.5	94%	0.939	76%	0.756	S	S	*	*				-171.4	168.3	117.5	19.6	0	0	0	0	112.3
483	H	31.7	Very low	34	Very low	178 Å²	178	148.7 Å²	148.7	82%	0.824	75%	0.75	S	S	*	*			trans	-96.2	-178.8	-158.1	-134.7	-115.2	0	0	0	113.4
484	E	31.4	Very low	33.9	Very low	151 Å²	151	142.6 Å²	142.6	71%	0.706	74%	0.742	S	S	*	*			trans	88.7	117.5	147.6	-82.2	-164.9	130.4	0	0	123.4
485	L	34.1	Very low	34.1	Very low	124 Å²	124	140 Å²	140	65%	0.649	74%	0.738	S	S	*	*			trans	64.4	151.6	136.6	-48.2	178.4	0	0	0	119.4
486	Q	31.6	Very low	34.2	Very low	148 Å²	148	137.9 Å²	137.9	69%	0.692	74%	0.74	S	S	*	*			cis	-170.6	-177.1	-15.4	-104.1	174.4	-8.4	0	0	106.5
487	I	35.8	Very low	34.5	Very low	132 Å²	132	133.3 Å²	133.3	68%	0.677	73%	0.734	S	S	*	*			trans	75.4	107.8	158	-43.8	-157.5	0	0	0	114.2
488	E	32	Very low	34.9	Very low	167 Å²	167	139 Å²	139	78%	0.78	74%	0.741	S	S	*	*				57	142	89.4	-54.3	172	169.4	0	0	113.3
489	D	34	Very low	35.2	Very low	140 Å²	140	136.5 Å²	136.5	75%	0.749	74%	0.736	S	S	*	*			cis	-161.3	173.1	-1.8	-139.4	-22.6	0	0	0	111.3
490	S	35.6	Very low	35.5	Very low	85 Å²	85	139 Å²	139	59%	0.594	74%	0.741	S	S	*	*			trans	71.3	136.6	148.8	80.6	0	0	0	0	122.7
491	H	36.4	Very low	35.8	Very low	175 Å²	175	138.7 Å²	138.7	81%	0.81	74%	0.739	S	S	*	*			trans	52.9	145.2	138.5	-57.7	-29.4	0	0	0	121.6
492	T	36.4	Very low	36.2	Very low	104 Å²	104	138.7 Å²	138.7	64%	0.638	74%	0.736	S	S	*	*			cis	-172.1	166.2	-0.3	18.5	0	0	0	0	110.4
493	H	39.2	Very low	36.4	Very low	162 Å²	162	139.4 Å²	139.4	75%	0.75	73%	0.731	S	S	*	*			trans	61.8	111.1	152	-65.8	-46.6	0	0	0	120.1
494	S	33.7	Very low	36.6	Very low	97 Å²	97	135.1 Å²	135.1	68%	0.678	72%	0.721	S	S	*	*				80.2	146.2	94.5	81.1	0	0	0	0	114.6
495	T	37.6	Very low	36.7	Very low	112 Å²	112	137.4 Å²	137.4	69%	0.687	73%	0.728	S	S	*	*			cis	-169.1	148.1	41.5	20.4	0	0	0	0	112.9
496	T	39.4	Very low	36.9	Very low	140 Å²	140	136.9 Å²	136.9	86%	0.859	74%	0.735	S	S	*	*			trans	50.1	149.4	142.8	65.2	0	0	0	0	122.1
497	G	37.9	Very low	36.9	Very low	73 Å²	73	138.2 Å²	138.2	75%	0.753	75%	0.746	S	S	*	*			cis	-164.8	-166.1	2.5	0	0	0	0	0	108.3
498	R	38	Very low	36.9	Very low	216 Å²	216	135.8 Å²	135.8	82%	0.815	75%	0.754	S	S	*	*			cis	-161.7	146.5	12.2	-122.2	177.3	82.7	160.8	3.6	109.3
499	T	39.8	Very low	36.9	Very low	103 Å²	103	134.3 Å²	134.3	63%	0.632	76%	0.756	S	S	*	*			trans	65.7	147.7	148.4	57.2	0	0	0	0	120.6
500	K	40.3	Very low	37	Very low	174 Å²	174	137.5 Å²	137.5	76%	0.757	77%	0.767	S	S	*	*			cis	-162.9	137.4	2.9	-123.5	165.7	-173.7	-177.6	0	112.8
501	S	40.6	Very low	37	Very low	99 Å²	99	138.3 Å²	138.3	69%	0.692	77%	0.772	S	S	*	*			trans	61.2	147.1	139	78.8	0	0	0	0	120.5
502	K	41	Very low	36.9	Very low	180 Å²	180	134.5 Å²	134.5	78%	0.783	77%	0.765	S	S	*	*			cis	-139	128.7	14.4	-78.6	-175.8	179.1	174.8	0	108.9
503	M	37.3	Very low	36.9	Very low	168 Å²	168	138.2 Å²	138.2	83%	0.828	77%	0.773	S	S	*	*				69.6	142.7	85.7	-73.4	-179.5	71.1	0	0	115.9
504	S	35.4	Very low	36.7	Very low	87 Å²	87	139 Å²	139	61%	0.608	78%	0.776	S	S	*	*			cis	-176.9	135.2	-25.4	43.7	0	0	0	0	111.8
505	K	35.2	Very low	36.8	Very low	199 Å²	199	143.6 Å²	143.6	87%	0.865	78%	0.784	S	S	*	*			trans	7.9	135.8	136	-62.3	175.6	173.2	-179.9	0	121.4
506	S	37.2	Very low	36.5	Very low	113 Å²	113	146.5 Å²	146.5	79%	0.79	79%	0.787	S	S	*	*				-177.3	134.3	128.2	44.2	0	0	0	0	106.7
507	L	32.8	Very low	36.4	Very low	177 Å²	177	148.1 Å²	148.1	93%	0.927	79%	0.785	S	S	*	*			cis	66.6	105	37.9	-66.6	-179	0	0	0	114.5
508	G	35.8	Very low	36.2	Very low	81 Å²	81	149.2 Å²	149.2	84%	0.835	78%	0.781	S	S	*	*			trans	-165.8	114.6	171	0	0	0	0	0	109.4
509	T	32.2	Very low	36	Very low	135 Å²	135	144.2 Å²	144.2	83%	0.828	78%	0.779	S	S	*	*			trans	-94.5	137.6	173.6	45.4	0	0	0	0	109.5
510	E	35.6	Very low	35.8	Very low	207 Å²	207	149.4 Å²	149.4	97%	0.967	79%	0.793	S	S	*	*			trans	-167.2	178.5	143.4	-117.2	170.7	-153.7	0	0	114.3
511	S	35.5	Very low	35.5	Very low	102 Å²	102	146.2 Å²	146.2	71%	0.713	79%	0.792	S	S	*	*			trans	-115.8	148.2	-143.1	-148.3	0	0	0	0	115.1
512	S	34.6	Very low	35.2	Very low	95 Å²	95	146.1 Å²	146.1	66%	0.664	79%	0.792	S	S	*	*			trans	78.1	141.5	136.4	-72.3	0	0	0	0	123.8
513	K	36.4	Very low	35	Very low	183 Å²	183	146.1 Å²	146.1	80%	0.796	79%	0.792	S	S	*	*			trans	88.9	96	145	-72.9	161	-176.8	178.7	0	122.4
514	H	35.1	Very low	34.8	Very low	177 Å²	177	145.5 Å²	145.5	82%	0.819	79%	0.789	S	S	*	*				69.5	143.4	115.3	-82.5	-50.4	0	0	0	125.5
515	K	35.1	Very low	35	Very low	195 Å²	195	150.8 Å²	150.8	85%	0.848	80%	0.801	S	S	*	*			trans	69.2	149.5	160.8	-72.3	176.7	178.3	177.7	0	115.9
516	K	32.3	Very low	34.8	Very low	173 Å²	173	148.8 Å²	148.8	75%	0.752	80%	0.799	S	S	*	*			cis	166.9	158.4	-25.7	-118	-168.1	176	-175.3	0	103.4
517	H	36.6	Very low	34.8	Very low	174 Å²	174	149.1 Å²	149.1	81%	0.806	80%	0.802	S	S	*	*			trans	72.2	153.7	176.9	-46	-84.2	0	0	0	116.1
518	S	34.1	Very low	34.8	Very low	96 Å²	96	152 Å²	152	67%	0.671	80%	0.8	S	S	*	*			cis	-170	132.9	-42	50	0	0	0	0	110
519	S	32.7	Very low	34.7	Very low	111 Å²	111	153.2 Å²	153.2	78%	0.776	80%	0.796	S	S	*	*			trans	37.9	109.5	151	59.8	0	0	0	0	121.5
520	K	36.2	Very low	34.7	Very low	211 Å²	211	152.9 Å²	152.9	92%	0.917	79%	0.794	S	S	*	*			trans	-175.6	114.8	140.8	-100.5	158.6	-176.4	178.1	0	106.7
521	S	33.1	Very low	34.5	Very low	108 Å²	108	151.1 Å²	151.1	76%	0.755	79%	0.788	S	S	*	*				84.8	114.3	60.4	-168.4	0	0	0	0	115
522	S	35.2	Very low	34.3	Very low	97 Å²	97	158.2 Å²	158.2	68%	0.678	80%	0.799	S	S	*	*			trans	89.6	143.8	148.1	82.9	0	0	0	0	122.2
523	K	36.8	Very low	34	Very low	179 Å²	179	162.7 Å²	162.7	78%	0.778	81%	0.807	S	S	*	*			trans	73	107.1	157.7	-71.1	169.4	178.6	173	0	117.7
524	M	33.6	Very low	33.7	Very low	156 Å²	156	162.7 Å²	162.7	77%	0.768	81%	0.814	S	S	*	*				84.2	109.5	73.5	-82.9	178.6	69.1	0	0	114
525	K	38.1	Very low	33.4	Very low	198 Å²	198	159.3 Å²	159.3	86%	0.861	81%	0.811	S	S	*	*				173.7	150.1	116.4	-93.3	167.1	-177.4	-177.6	0	113.8
526	N	33	Very low	33.1	Very low	156 Å²	156	155 Å²	155	83%	0.834	81%	0.805	S	S	*	*			trans	-64.7	155.8	-171.5	-62.3	-30.2	0	0	0	117.2
527	S	35.3	Very low	33	Very low	120 Å²	120	151.9 Å²	151.9	84%	0.839	81%	0.805	S	S	*	*				164.2	103.2	123.6	-71.6	0	0	0	0	109.1
528	R	34.5	Very low	32.7	Very low	237 Å²	237	149.3 Å²	149.3	89%	0.894	81%	0.807	S	S	*	*				88.7	122.2	56.2	-156.4	179.5	-162.5	175.5	5.2	113.6
529	S	32	Very low	32.6	Very low	108 Å²	108	153.4 Å²	153.4	76%	0.755	81%	0.812	S	S	*	*			trans	75.8	142.8	175.4	-16.9	0	0	0	0	115.4
530	T	33.3	Very low	32.4	Very low	127 Å²	127	155.5 Å²	155.5	78%	0.779	81%	0.814	S	S	*	*			cis	-154.1	160.4	16	-35.7	0	0	0	0	112.1
531	M	30.3	Very low	32.1	Very low	170 Å²	170	154.1 Å²	154.1	84%	0.837	81%	0.811	S	S	*	*			trans	62.9	98	165.1	-66	-138.2	-76.7	0	0	120.1
532	R	31.2	Very low	32	Very low	252 Å²	252	158 Å²	158	95%	0.951	82%	0.817	S	S	*	*			trans	-106.3	134.5	141.9	-70.4	179.3	179.9	164.3	-0.7	108.9
533	K	30	Very low	31.8	Very low	189 Å²	189	159.4 Å²	159.4	82%	0.822	82%	0.817	S	S	*	*			trans	-126.9	164.4	153.5	-86.4	-177.7	173.7	178.6	0	106.5
534	L	29	Very low	31.5	Very low	183 Å²	183	161.9 Å²	161.9	96%	0.958	82%	0.823	S	S	*	*			trans	81.8	80.2	-164.7	-49.5	174.7	0	0	0	113.3
535	S	28.5	Very low	31.5	Very low	106 Å²	106	162.7 Å²	162.7	74%	0.741	83%	0.825	S	S	*	*			trans	-151.1	138.6	163.4	57	0	0	0	0	110.6
536	S	29	Very low	31.2	Very low	105 Å²	105	159.9 Å²	159.9	73%	0.734	82%	0.815	S	S	*	*			trans	46.3	116.9	146.9	60.4	0	0	0	0	119.8
537	S	29.9	Very low	31.2	Very low	106 Å²	106	156 Å²	156	74%	0.741	81%	0.811	S	S	*	*				-165.7	98.1	103.8	-102.3	0	0	0	0	112.5	K539	S537-K539 PolarHBondContact O-N 3.1Å
538	S	31.5	Very low	31.2	Very low	121 Å²	121	158.4 Å²	158.4	85%	0.846	82%	0.815	S	S	*	*			trans	-82.5	86.3	149.7	53.1	0	0	0	0	107.8
539	K	30.5	Very low	31.2	Very low	182 Å²	182	154.9 Å²	154.9	79%	0.791	80%	0.802	S	S	*	*			trans	172.8	88.5	167.7	-104.3	-176.4	177.3	-164.1	0	108.6	S537	S537-K539 PolarHBondContact O-N 3.1Å
540	L	29.7	Very low	31.3	Very low	154 Å²	154	156.6 Å²	156.6	81%	0.806	80%	0.802	S	S	*	*			trans	-157.8	63.1	158.9	-79.6	-169.7	0	0	0	107.6
541	E	30.4	Very low	31.2	Very low	183 Å²	183	158.5 Å²	158.5	86%	0.855	81%	0.807	S	S	*	*	S	Bend	trans	-95.6	159.2	144.5	-76.2	167.8	126.9	0	0	106.1
542	E	29.4	Very low	31.2	Very low	189 Å²	189	160.4 Å²	160.4	88%	0.883	81%	0.806	S	S	*	*	S	Bend	trans	87.2	-23.8	173.6	-54	-176.7	147.2	0	0	120	Y544	E542-Y544 PolarHBondContact O-N 2.96Å
543	D	31.3	Very low	31.2	Very low	127 Å²	127	158 Å²	158	68%	0.679	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	63.8	-176.7	-80.6	-36.5	0	0	0	115.4
544	Y	31.5	Very low	31.1	Very low	231 Å²	231	157 Å²	157	91%	0.906	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.5	-0.3	159	-111.9	-86.2	0	0	0	115.2	E542	E542-Y544 PolarHBondContact O-N 2.96Å
545	E	32.5	Very low	31.2	Very low	172 Å²	172	153.9 Å²	153.9	80%	0.804	79%	0.794	S	S	*	*	S	Bend	trans	-108.9	18.3	178.2	-67.1	-164.3	131.8	0	0	114.6
546	Q	32.7	Very low	31.4	Very low	139 Å²	139	155.1 Å²	155.1	65%	0.65	80%	0.797	S	S	*	*	S	Bend	trans	-118.4	6.9	-177.8	-141.4	75.8	28.7	0	0	114.5
547	G	32.2	Very low	31.5	Very low	74 Å²	74	156.6 Å²	156.6	76%	0.763	80%	0.796	S	S	*	*	S	Bend	trans	-84.8	-21.1	-172.4	0	0	0	0	0	116.9
548	N	35.5	Very low	31.6	Very low	172 Å²	172	160.5 Å²	160.5	92%	0.92	80%	0.8	S	S	*	*	S	Bend	trans	-122.5	17.2	-166.4	-122.5	10.8	0	0	0	115.3
549	R	35.8	Very low	31.7	Very low	163 Å²	163	160.5 Å²	160.5	62%	0.615	80%	0.8	S	S	*	*	S	Bend	trans	-110.4	-1.9	179.3	-81.4	-176.8	173.5	135.3	-3.2	115.7
550	N	32.7	Very low	31.8	Very low	144 Å²	144	161 Å²	161	77%	0.77	81%	0.805	S	S	*	*			trans	-123.9	53.7	-176.6	-77.3	-25.4	0	0	0	113.4
551	L	32.3	Very low	32	Very low	166 Å²	166	161.5 Å²	161.5	87%	0.869	81%	0.809	S	S	*	*	S	Bend	trans	-135.3	37.4	165.8	-144	97.1	0	0	0	114
552	Y	29.1	Very low	32	Very low	210 Å²	210	156.2 Å²	156.2	82%	0.824	80%	0.803	S	S	*	*	S	Bend	trans	-137.2	137.8	156.9	-100.5	-91.5	0	0	0	108.5
553	K	31.3	Very low	32.1	Very low	202 Å²	202	151 Å²	151	88%	0.878	80%	0.8	S	S	*	*			trans	82.6	56.7	168.4	-141.5	174.6	-166.4	175.1	0	119.1
554	L	29.3	Very low	32	Very low	168 Å²	168	153.8 Å²	153.8	88%	0.88	81%	0.809	S	S	*	*			trans	-149.5	130.6	142.2	-123.2	81.8	0	0	0	104.1
555	V	31.1	Very low	32.1	Very low	118 Å²	118	154.2 Å²	154.2	72%	0.715	81%	0.81	S	S	*	*			cis	-142	127.5	25.8	173.9	0	0	0	0	110.1
556	V	32.4	Very low	32.1	Very low	132 Å²	132	150.3 Å²	150.3	80%	0.8	80%	0.802	S	S	*	*			trans	-140.9	148.3	157.6	177.3	0	0	0	0	106.1
557	N	31.1	Very low	32	Very low	136 Å²	136	152.1 Å²	152.1	73%	0.727	81%	0.811	S	S	*	*			trans	80.5	133.6	-159.2	-49.5	-38.1	0	0	0	111.7
558	K	31.9	Very low	32.1	Very low	188 Å²	188	158.1 Å²	158.1	82%	0.817	82%	0.819	S	S	*	*			cis	-164.6	137.7	6.8	-133	-179	-177.7	-170.6	0	109.6
559	S	32.3	Very low	32	Very low	121 Å²	121	154.7 Å²	154.7	85%	0.846	81%	0.808	S	S	*	*			trans	179.1	98.4	142.6	52.1	0	0	0	0	109.5
560	E	32.9	Very low	32.1	Very low	191 Å²	191	154.7 Å²	154.7	89%	0.893	82%	0.82	S	S	*	*			trans	-73.5	134.4	156.3	-63.1	161.3	136.6	0	0	107.2
561	D	35.1	Very low	32.2	Very low	166 Å²	166	152.2 Å²	152.2	89%	0.888	82%	0.815	S	S	*	*			trans	-150.5	144	141.5	-150.4	-7.3	0	0	0	109.6
562	G	30.6	Very low	32.4	Very low	71 Å²	71	152 Å²	152	73%	0.732	81%	0.814	S	S	*	*			trans	-102.4	146.7	-174.3	0	0	0	0	0	112
563	G	31.6	Very low	32.9	Very low	80 Å²	80	147.4 Å²	147.4	83%	0.825	81%	0.81	S	S	*	*			trans	-165.7	101.5	175.3	0	0	0	0	0	111.4
564	Q	28.6	Very low	33.2	Very low	185 Å²	185	146.8 Å²	146.8	86%	0.864	81%	0.811	S	S	*	*			trans	-68.3	136.6	168.7	-61	165.3	-69.6	0	0	109.1
565	Y	33.1	Very low	33.2	Very low	240 Å²	240	145.8 Å²	145.8	94%	0.941	81%	0.806	S	S	*	*			trans	-148	151.7	140.1	-94.3	-68.6	0	0	0	109.7
566	S	31.6	Very low	33.4	Very low	90 Å²	90	147.4 Å²	147.4	63%	0.629	81%	0.809	S	S	*	*			trans	-92.1	162.8	-161	45.9	0	0	0	0	114.2
567	E	31.2	Very low	33.4	Very low	178 Å²	178	147.6 Å²	147.6	83%	0.832	81%	0.805	S	S	*	*			trans	46	118.4	142	-67.4	166.3	178.8	0	0	119.2
568	E	34.3	Very low	33.7	Very low	200 Å²	200	148.5 Å²	148.5	94%	0.935	81%	0.811	S	S	*	*				-157.8	153.9	107.4	-110.2	170.6	-169.1	0	0	111.3
569	S	34.6	Very low	33.7	Very low	99 Å²	99	146.3 Å²	146.3	69%	0.692	81%	0.808	S	S	*	*			trans	-92.3	157.6	-171.6	48.8	0	0	0	0	113
570	D	37.3	Very low	33.8	Very low	163 Å²	163	145.4 Å²	145.4	87%	0.872	80%	0.801	S	S	*	*				-159.8	152.5	120.6	-105.3	-18.8	0	0	0	112.4
571	S	35.6	Very low	33.8	Very low	93 Å²	93	143.7 Å²	143.7	65%	0.65	80%	0.798	S	S	*	*			trans	-120.1	155.1	-163.5	53.5	0	0	0	0	113
572	D	36.3	Very low	33.7	Very low	161 Å²	161	140.4 Å²	140.4	86%	0.861	79%	0.788	S	S	*	*			trans	-169.5	122.7	132	-107.7	-15.6	0	0	0	113.5
573	P	37.9	Very low	33.8	Very low	114 Å²	114	146.9 Å²	146.9	74%	0.74	79%	0.791	S	S	*	*			trans	-135.1	136.7	155.5	36	-21.7	0	0	0	112.3
574	Q	38.8	Very low	33.8	Very low	189 Å²	189	153.3 Å²	153.3	88%	0.883	79%	0.79	S	S	*	*			trans	-136.2	148.4	159.4	-76.8	-154.3	-3.7	0	0	113.6
575	N	29.2	Very low	34.1	Very low	146 Å²	146	150.8 Å²	150.8	78%	0.781	78%	0.782	S	S	*	*			trans	-133.3	127.5	-169.8	173.4	22.1	0	0	0	107.1
576	I	35.9	Very low	34	Very low	152 Å²	152	145.6 Å²	145.6	78%	0.779	77%	0.771	S	S	*	*			trans	-130.6	117.2	172.5	-64.9	-176.7	0	0	0	109
577	N	31.6	Very low	34.2	Very low	136 Å²	136	150 Å²	150	73%	0.727	78%	0.781	S	S	*	*			trans	-65.5	147.1	166.4	-115.2	-12.8	0	0	0	109.9
578	D	36.9	Very low	34.2	Very low	156 Å²	156	151 Å²	151	83%	0.834	79%	0.786	S	S	*	*				-161.3	154.7	124.3	-114.3	-31.5	0	0	0	115.3
579	N	31.7	Very low	34.3	Very low	142 Å²	142	147 Å²	147	76%	0.759	78%	0.78	S	S	*	*			trans	-79	146.4	-175.8	-76.7	-71.3	0	0	0	113.1
580	S	35.4	Very low	34.1	Very low	101 Å²	101	149.3 Å²	149.3	71%	0.706	79%	0.785	S	S	*	*				161	138.8	100.7	55	0	0	0	0	115.5
581	N	32.6	Very low	33.9	Very low	156 Å²	156	153 Å²	153	83%	0.834	79%	0.788	S	S	*	*			trans	37	119.3	146.2	-60.9	-33	0	0	0	121.1
582	S	32.8	Very low	33.7	Very low	96 Å²	96	151.4 Å²	151.4	67%	0.671	79%	0.786	S	S	*	*				158.1	130.9	91.9	-166.7	0	0	0	0	114.9
583	R	32.2	Very low	33.4	Very low	208 Å²	208	153.7 Å²	153.7	79%	0.785	79%	0.788	S	S	*	*			trans	66.8	111.8	152.1	-73	169	-176.3	-176.5	-0.3	118.8
584	R	32.7	Very low	33.1	Very low	215 Å²	215	156.5 Å²	156.5	81%	0.811	80%	0.795	S	S	*	*				80.3	132.1	89.1	-82.1	-174.8	-173.6	176.4	-0.9	112.9
585	N	33.8	Very low	32.9	Very low	131 Å²	131	151.4 Å²	151.4	70%	0.701	79%	0.785	S	S	*	*			cis	-148	154.1	19.9	-78.8	-43.6	0	0	0	114.1
586	N	32.6	Very low	32.9	Very low	132 Å²	132	152.1 Å²	152.1	71%	0.706	79%	0.789	S	S	*	*			trans	5.5	137.6	145.1	-45.6	-10.1	0	0	0	118.9
587	H	34.5	Very low	32.9	Very low	182 Å²	182	152.1 Å²	152.1	84%	0.843	79%	0.789	S	S	*	*				-169.1	126	65.8	-110.6	-89.4	0	0	0	112.5
588	E	32.4	Very low	32.8	Very low	199 Å²	199	153.1 Å²	153.1	93%	0.93	79%	0.794	S	S	*	*			trans	-166.6	146.9	141.8	-121.4	175.3	-175.9	0	0	110.1
589	S	36.1	Very low	32.8	Very low	116 Å²	116	153.2 Å²	153.2	81%	0.811	79%	0.793	S	S	*	*			trans	-111.4	124.1	-158.8	52.1	0	0	0	0	115.2
590	N	29.9	Very low	32.6	Very low	148 Å²	148	153.1 Å²	153.1	79%	0.791	79%	0.793	S	S	*	*			trans	-20.2	138	158.2	-93.4	-25.5	0	0	0	117.1
591	Y	33.5	Very low	32.5	Very low	241 Å²	241	157.3 Å²	157.3	95%	0.945	80%	0.801	S	S	*	*				-156.8	142.6	100.4	-108.9	-75.8	0	0	0	111.6
592	G	30.3	Very low	32.5	Very low	58 Å²	58	159 Å²	159	60%	0.598	80%	0.801	S	S	*	*			trans	-165.5	162.7	172.6	0	0	0	0	0	113.1
593	K	30	Very low	32.5	Very low	210 Å²	210	159.4 Å²	159.4	91%	0.913	81%	0.811	S	S	*	*			trans	71.1	161.6	175	-64.7	-175.7	174.6	-179.1	0	117.7
594	I	32.6	Very low	32.4	Very low	172 Å²	172	153.3 Å²	153.3	88%	0.882	81%	0.813	S	S	*	*			trans	97.7	128.5	-178.1	-58.2	166.2	0	0	0	112.2
595	A	34.5	Very low	32.3	Very low	82 Å²	82	146.7 Å²	146.7	68%	0.678	81%	0.811	S	S	*	*			cis	-165	166.1	-23.1	0	0	0	0	0	108.4
596	D	29.3	Very low	32.3	Very low	161 Å²	161	150.7 Å²	150.7	86%	0.861	82%	0.822	S	S	*	*			trans	-63.8	143.4	172.6	-46.2	-85.2	0	0	0	112.6
597	I	35.4	Very low	32.1	Very low	153 Å²	153	150 Å²	150	79%	0.785	83%	0.827	S	S	*	*			trans	-137.9	108.7	158	-60.8	-175.5	0	0	0	109.2	I599	I597-I599 HydrophobicContact CG2-CG1 4.12Å
598	D	29.8	Very low	32.1	Very low	156 Å²	156	151.2 Å²	151.2	83%	0.834	83%	0.83	S	S	*	*			trans	-65	136.7	161.1	-102.5	-43.2	0	0	0	110.4
599	I	37.2	Very low	31.8	Very low	159 Å²	159	150 Å²	150	82%	0.815	82%	0.824	S	S	*	*			trans	-134.9	104.7	153.7	-54.3	-178.3	0	0	0	109	I597	I597-I599 HydrophobicContact CG2-CG1 4.12Å
600	N	27.5	Very low	31.5	Very low	140 Å²	140	153.3 Å²	153.3	75%	0.749	83%	0.829	S	S	*	*			trans	-127.5	107.5	171.4	175.7	21.1	0	0	0	107.4
601	E	33.4	Very low	31.5	Very low	189 Å²	189	153.7 Å²	153.7	88%	0.883	83%	0.826	S	S	*	*			trans	-149.1	137.8	160.2	-133.4	171.5	-159.2	0	0	112.9
602	K	31.4	Very low	31.4	Very low	190 Å²	190	148.3 Å²	148.3	83%	0.826	82%	0.818	S	S	*	*			trans	-102.8	155.4	-179.9	-81	-178.7	175.3	175.8	0	110.7
603	A	34.6	Very low	31.3	Very low	106 Å²	106	152.7 Å²	152.7	88%	0.876	83%	0.827	S	S	*	*			trans	77.9	122.4	149.7	0	0	0	0	0	118.9
604	G	30.1	Very low	31.1	Very low	80 Å²	80	151.8 Å²	151.8	83%	0.825	82%	0.824	S	S	*	*				121.3	63.8	112.5	0	0	0	0	0	119.3
605	G	29.1	Very low	31.1	Very low	76 Å²	76	149.2 Å²	149.2	78%	0.784	82%	0.821	S	S	*	*				100.7	155.3	124.1	0	0	0	0	0	120.9
606	K	33.6	Very low	31	Very low	215 Å²	215	149.8 Å²	149.8	94%	0.935	83%	0.825	S	S	*	*			trans	89.1	119.2	163.7	-60.6	-177.2	178.7	177.3	0	118.1
607	S	29	Very low	31	Very low	116 Å²	116	145.7 Å²	145.7	81%	0.811	82%	0.821	S	S	*	*			trans	-66.3	158.6	-179.8	-28.3	0	0	0	0	114.2
608	K	33.7	Very low	30.8	Very low	209 Å²	209	147 Å²	147	91%	0.909	83%	0.83	S	S	*	*				-161	140.6	120.5	-108.3	167.5	-177	-174.9	0	111.3
609	E	27.7	Very low	30.8	Very low	172 Å²	172	148.3 Å²	148.3	80%	0.804	83%	0.828	S	S	*	*			trans	-71	158.5	175.7	-60.7	154.7	115.2	0	0	111.4
610	M	29.6	Very low	30.3	Very low	186 Å²	186	148 Å²	148	92%	0.916	83%	0.827	S	S	*	*			trans	-145	127	139.7	-154.6	169.8	68.2	0	0	111
611	H	29.3	Very low	30.4	Very low	157 Å²	157	149 Å²	149	73%	0.727	83%	0.83	S	S	*	*			trans	-71.5	179.4	177.9	-112.6	-111.2	0	0	0	113.1
612	V	31.3	Very low	30	Very low	128 Å²	128	143 Å²	143	78%	0.776	82%	0.819	S	S	*	*			trans	135.3	130.6	143.4	166.9	0	0	0	0	111.7
613	L	29.1	Very low	30	Very low	149 Å²	149	141.7 Å²	141.7	78%	0.78	82%	0.821	S	S	*	*			cis	-159.3	168.7	-16.2	-113.8	174.8	0	0	0	110.6
614	F	25.4	Very low	29.6	Very low	192 Å²	192	144.2 Å²	144.2	84%	0.842	82%	0.82	S	S	*	*			trans	-84.9	154.9	174.5	-90.6	-111.7	0	0	0	114.4
615	S	32.1	Very low	29.7	Very low	118 Å²	118	148.5 Å²	148.5	83%	0.825	82%	0.822	S	S	*	*				-178.3	131	125.3	-83.5	0	0	0	0	109.4
616	A	33.1	Very low	29.7	Very low	93 Å²	93	154.4 Å²	154.4	77%	0.769	83%	0.826	S	S	*	*			cis	108.8	101.1	36.4	0	0	0	0	0	111.3
617	G	27.7	Very low	29.5	Very low	75 Å²	75	147.7 Å²	147.7	77%	0.773	82%	0.818	S	S	*	*			trans	67	108.8	142.9	0	0	0	0	0	120.5
618	N	33.2	Very low	29.4	Very low	180 Å²	180	150.9 Å²	150.9	96%	0.963	82%	0.82	S	S	*	*				-150.6	167.9	124.8	-112.9	-18.4	0	0	0	111.7
619	K	28.5	Very low	29.4	Very low	184 Å²	184	149.4 Å²	149.4	80%	0.8	81%	0.814	S	S	*	*			trans	-131.2	153.7	-149.5	-153.7	-175.3	-173.8	179.5	0	110.9
620	I	27.6	Very low	29.6	Very low	154 Å²	154	148.7 Å²	148.7	79%	0.79	82%	0.816	S	S	*	*			trans	64.4	143.8	171.5	-9.2	-178.2	0	0	0	112.7
621	I	28	Very low	29.7	Very low	161 Å²	161	150.5 Å²	150.5	83%	0.826	81%	0.812	S	S	*	*			cis	-135.1	152.3	15.8	-63.3	161.7	0	0	0	108.9
622	G	25.9	Very low	30	Very low	62 Å²	62	148.9 Å²	148.9	64%	0.639	81%	0.808	S	S	*	*			trans	-84.2	168	-175.4	0	0	0	0	0	115.4
623	N	30.3	Very low	30	Very low	163 Å²	163	148 Å²	148	87%	0.872	81%	0.805	S	S	*	*			trans	-156.4	148.3	148.1	-103.1	-15.9	0	0	0	109.6
624	D	27.9	Very low	30.1	Very low	159 Å²	159	145.9 Å²	145.9	85%	0.85	80%	0.8	S	S	*	*			trans	-66.8	128.7	-175.6	-66.2	-68.3	0	0	0	113.1
625	I	32.1	Very low	30.8	Very low	170 Å²	170	140.9 Å²	140.9	87%	0.872	79%	0.787	S	S	*	*			trans	-131.4	117.3	156	-59.2	-176.5	0	0	0	108.4	G627	I625-G627 PolarHBondContact O-N 3.24Å
626	K	28.1	Very low	31.1	Very low	199 Å²	199	140.6 Å²	140.6	87%	0.865	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-68.1	117.3	177.6	-66.3	170.2	179.4	171.4	0	109.4	E628	K626-E628 PolarHBondContact O-N 2.81Å
627	G	29.5	Very low	31.2	Very low	74 Å²	74	147.6 Å²	147.6	76%	0.763	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-70.8	121.4	169.5	0	0	0	0	0	110.8	I625 F629	I625-G627 PolarHBondContact O-N 3.24Å; G627-F629 PolarHBondContact O-N 2.98Å
628	E	28.5	Very low	31.7	Very low	183 Å²	183	150.8 Å²	150.8	86%	0.855	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-62.9	122.3	179.7	-70.9	178	110.5	0	0	111.8	K626 N630	K626-E628 PolarHBondContact O-N 2.81Å; E628-N630 PolarHBondContact O-N 3.29Å
629	F	32.8	Very low	31.8	Very low	178 Å²	178	147.5 Å²	147.5	78%	0.781	77%	0.767	S	S	*	*			trans	-76.8	110.4	164.6	-122.5	-93.2	0	0	0	108	G627 R631	G627-F629 PolarHBondContact O-N 2.98Å; F629-R631 VanDerWaalsContact C-N 3.28Å; F629-R631 PolarHBondContact O-N 2.96Å
630	N	31.8	Very low	31.8	Very low	158 Å²	158	142.3 Å²	142.3	85%	0.845	77%	0.766	S	S	*	*			trans	-59.8	89	170.5	-83.5	-30	0	0	0	110.2	E628	E628-N630 PolarHBondContact O-N 3.29Å
631	R	32.1	Very low	32	Very low	223 Å²	223	145 Å²	145	84%	0.842	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-68.7	133.3	167.3	-71.1	-170.9	-178.7	-164.7	3.3	108.1	F629	F629-R631 VanDerWaalsContact C-N 3.28Å; F629-R631 PolarHBondContact O-N 2.96Å
632	L	34.8	Very low	32.1	Very low	123 Å²	123	142.1 Å²	142.1	64%	0.644	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-52.5	132.9	162.8	-71.2	165.7	0	0	0	108.4
633	P	32	Very low	32.3	Very low	109 Å²	109	148.5 Å²	148.5	71%	0.708	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-61.3	141.6	177.5	25.7	-33.5	0	0	0	109.3
634	P	30.9	Very low	32.5	Very low	106 Å²	106	146.1 Å²	146.1	69%	0.688	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-59.7	147.9	172.1	27.5	-34	0	0	0	109.4
635	P	39.7	Very low	32.7	Very low	86 Å²	86	144.3 Å²	144.3	56%	0.558	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-57.2	148	172.4	26.6	-34.4	0	0	0	109.6	R637	P635-R637 PolarHBondContact O-N 3.21Å
636	P	38.8	Very low	32.8	Very low	113 Å²	113	141.1 Å²	141.1	73%	0.734	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-56.4	118.5	-177.3	22.2	-33.1	0	0	0	110.3	Y638	P636-Y638 PolarHBondContact O-N 2.96Å
637	R	34.6	Very low	33.2	Very low	239 Å²	239	140.7 Å²	140.7	90%	0.902	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-64.7	122.1	167.3	-70.1	-174	178.3	-166	0.9	107.2	P635	P635-R637 PolarHBondContact O-N 3.21Å
638	Y	37.9	Very low	33.2	Very low	142 Å²	142	142.9 Å²	142.9	56%	0.557	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-65.9	138.2	167.3	-76.2	-97.5	0	0	0	108.4	P636 G640 H1009	P636-Y638 PolarHBondContact O-N 2.96Å; Y638-G640 PolarHBondContact O-N 3.45Å; Y638-H1009 AromaticContact CD2-CD2 3.8Å; Y638-H1009 HydrophobicContact CE1-CB 4.2Å; Y638-H1009 AromaticContact CE1-CD2 4Å; Y638-H1009 AromaticContact CE2-CD2 3.56Å; Y638-H1009 AromaticContact CZ-CD2 3.66Å
639	P	36.3	Very low	33.5	Very low	111 Å²	111	142 Å²	142	72%	0.721	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-59.6	122.4	174.1	-21.3	32.8	0	0	0	109.6
640	G	29	Very low	33.6	Very low	75 Å²	75	142.6 Å²	142.6	77%	0.773	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-71.6	137.5	170.5	0	0	0	0	0	109.6	Y638	Y638-G640 PolarHBondContact O-N 3.45Å
641	Y	31	Very low	33.7	Very low	212 Å²	212	139 Å²	139	83%	0.831	77%	0.774	S	S	*	*			trans	-121.9	134.7	167.1	-98.8	-84.7	0	0	0	110
642	S	31.4	Very low	33.8	Very low	100 Å²	100	131.9 Å²	131.9	70%	0.699	77%	0.769	S	S	*	*			trans	-60.5	132.3	173.5	48.1	0	0	0	0	111.6	S644	S642-S644 PolarHBondContact O-N 2.79Å
643	E	29.4	Very low	34	Very low	195 Å²	195	133.2 Å²	133.2	91%	0.911	78%	0.782	S	S	*	*			trans	-71.2	109.8	164.6	-68.4	-178.2	140.2	0	0	109.7
644	S	34.2	Very low	34.3	Very low	114 Å²	114	133.4 Å²	133.4	80%	0.797	78%	0.783	S	S	*	*			trans	-122.3	95.6	159.3	-73.7	0	0	0	0	108.1	S642	S642-S644 PolarHBondContact O-N 2.79Å
645	S	31.4	Very low	34.6	Very low	120 Å²	120	134.8 Å²	134.8	84%	0.839	79%	0.785	S	S	*	*			trans	-84.9	122.9	174.8	55.5	0	0	0	0	110.9
646	S	35.2	Very low	34.5	Very low	104 Å²	104	138.3 Å²	138.3	73%	0.727	80%	0.799	S	S	*	*			trans	-151.3	104.4	158.8	60.9	0	0	0	0	111.5
647	E	35.6	Very low	34.3	Very low	190 Å²	190	136 Å²	136	89%	0.888	80%	0.795	S	S	*	*			trans	56.3	133.2	138.4	-62	179.6	138	0	0	121.7
648	C	29.7	Very low	34.2	Very low	120 Å²	120	132.7 Å²	132.7	81%	0.811	79%	0.788	S	S	*	*			trans	-57.6	151.8	172.3	48.3	0	0	0	0	115.9
649	D	36	Very low	34.3	Very low	163 Å²	163	133.5 Å²	133.5	87%	0.872	80%	0.801	S	S	*	*				-150.9	155	116.1	-145.5	-12.6	0	0	0	112.5
650	E	33.1	Very low	34.4	Very low	192 Å²	192	133.3 Å²	133.3	90%	0.897	79%	0.794	S	S	*	*			trans	-94	125.9	172.2	-75.8	-167.8	152.6	0	0	110.8
651	G	35.3	Very low	35	Very low	82 Å²	82	137.3 Å²	137.3	85%	0.845	80%	0.798	S	S	*	*			trans	-166.5	111	171.5	0	0	0	0	0	110.8
652	G	32.6	Very low	35.5	Very low	73 Å²	73	133.9 Å²	133.9	75%	0.753	79%	0.794	S	S	*	*			trans	-114.9	-173.3	-166.9	0	0	0	0	0	116.1
653	V	39.1	Very low	36	Very low	151 Å²	151	136.4 Å²	136.4	92%	0.915	80%	0.8	S	S	*	*			trans	86.6	135.4	164.7	-176.3	0	0	0	0	114.7
654	P	39.5	Very low	36.4	Very low	113 Å²	113	134 Å²	134	73%	0.734	79%	0.793	S	S	*	*			trans	-133.7	-174.3	-131.7	45.9	-31	0	0	0	115.7
655	D	36.5	Very low	36.7	Very low	135 Å²	135	134.8 Å²	134.8	72%	0.722	79%	0.787	S	S	*	*			trans	62.4	125.4	146.1	-161.5	17.7	0	0	0	119.5
656	N	37	Very low	37.1	Very low	161 Å²	161	136.9 Å²	136.9	86%	0.861	78%	0.783	S	S	*	*			trans	-170.7	129.6	140.2	-97.7	-57.8	0	0	0	111
657	G	34.8	Very low	37.3	Very low	63 Å²	63	137.3 Å²	137.3	65%	0.649	78%	0.777	S	S	*	*			trans	63.3	101.2	146.7	0	0	0	0	0	117.1
658	F	34.1	Very low	37.6	Very low	170 Å²	170	136.4 Å²	136.4	75%	0.746	77%	0.773	S	S	*	*				56.3	108.4	65.4	-149.8	-78.8	0	0	0	113	D660	F658-D660 VanDerWaalsContact CE1-OD2 3.23Å; F658-D660 WeakPolarHBondContact CE1-OD2 3.39Å; F658-D660 WeakPolarHBondContact CZ-OD2 3.36Å
659	L	40.2	Very low	37.8	Very low	159 Å²	159	138.7 Å²	138.7	83%	0.832	77%	0.769	S	S	*	*				-165.4	140.8	123.6	-100.4	168.8	0	0	0	110.2
660	D	37.5	Very low	38	Very low	107 Å²	107	137.6 Å²	137.6	57%	0.572	77%	0.768	S	S	*	*			trans	-73.9	166.3	174.4	-47.5	-81.4	0	0	0	111.1	F658	F658-D660 VanDerWaalsContact CE1-OD2 3.23Å; F658-D660 WeakPolarHBondContact CE1-OD2 3.39Å; F658-D660 WeakPolarHBondContact CZ-OD2 3.36Å
661	D	41.8	Very low	38.3	Very low	159 Å²	159	133.8 Å²	133.8	85%	0.85	75%	0.754	S	S	*	*				-174.1	155.4	118.2	-90.7	-25.7	0	0	0	111
662	D	40.1	Very low	38.4	Very low	140 Å²	140	136.7 Å²	136.7	75%	0.749	75%	0.749	S	S	*	*			trans	-75.5	163.4	-172.3	-61.3	-77	0	0	0	114.3
663	D	42.3	Very low	38.7	Very low	154 Å²	154	140.2 Å²	140.2	82%	0.824	75%	0.751	S	S	*	*				165.7	102.1	120.2	-86.5	-24.9	0	0	0	112.6
664	D	38.9	Very low	38.8	Very low	144 Å²	144	140 Å²	140	77%	0.77	75%	0.745	S	S	*	*				38.1	155.2	119.8	-127.5	-16.3	0	0	0	123.6
665	I	39.4	Very low	38.8	Very low	130 Å²	130	140.5 Å²	140.5	67%	0.667	75%	0.746	S	S	*	*			trans	96.5	135.1	151.8	-65.2	157.8	0	0	0	122.3
666	H	41	Very low	38.8	Very low	165 Å²	165	140.3 Å²	140.3	76%	0.764	75%	0.745	S	S	*	*			trans	67.6	114.5	168.8	-68.7	-47.5	0	0	0	119.2
667	D	37.7	Very low	38.9	Very low	112 Å²	112	140.7 Å²	140.7	60%	0.599	75%	0.746	S	S	*	*				84	112.9	50.3	-170	23.2	0	0	0	113.2
668	H	42.6	Very low	38.8	Very low	171 Å²	171	148.1 Å²	148.1	79%	0.792	75%	0.754	S	S	*	*				-177	123.1	124.7	-95.4	-55.7	0	0	0	111.5
669	K	34.9	Very low	39	Very low	169 Å²	169	149.7 Å²	149.7	74%	0.735	76%	0.761	S	S	*	*			trans	-81.4	144.5	154.6	-69.7	-177.8	171.6	-167.8	0	109.7
670	V	40.3	Very low	38.8	Very low	139 Å²	139	149.1 Å²	149.1	84%	0.842	76%	0.758	S	S	*	*			trans	-141.5	141.1	144.9	-177	0	0	0	0	107.5
671	D	38.1	Very low	38.8	Very low	113 Å²	113	151.7 Å²	151.7	60%	0.604	77%	0.772	S	S	*	*			trans	-96.8	161.7	-167.8	-47.3	-81.8	0	0	0	113.8
672	D	37.9	Very low	38.5	Very low	142 Å²	142	151.8 Å²	151.8	76%	0.759	77%	0.773	S	S	*	*			trans	61.4	146.9	142.8	-66.9	-32.2	0	0	0	125.3
673	D	38.9	Very low	38.5	Very low	148 Å²	148	152.2 Å²	152.2	79%	0.791	77%	0.773	S	S	*	*			trans	89.4	139.5	148.8	-66.9	-29.8	0	0	0	124.9
674	D	42.1	Very low	38	Very low	145 Å²	145	147.5 Å²	147.5	78%	0.775	76%	0.762	S	S	*	*			trans	84.3	97.2	155.6	-74.9	-22.8	0	0	0	124.4
675	V	38	Very low	37.7	Very low	125 Å²	125	147 Å²	147	76%	0.758	76%	0.759	S	S	*	*			trans	27.7	121.8	134.1	-82.8	0	0	0	0	123.1
676	D	36.6	Very low	37.7	Very low	130 Å²	130	147 Å²	147	70%	0.695	76%	0.76	S	S	*	*				51.2	113.5	127.5	-159.2	14.2	0	0	0	119.3
677	L	39.1	Very low	37.8	Very low	170 Å²	170	145.2 Å²	145.2	89%	0.89	76%	0.756	S	S	*	*				-166.3	135.3	124.9	-103.6	165.6	0	0	0	112.2
678	R	34.2	Very low	37.9	Very low	219 Å²	219	147.2 Å²	147.2	83%	0.826	76%	0.762	S	S	*	*			trans	-70.6	147.4	-176.8	-52.6	171.7	-173.8	-174.2	-1.8	113
679	K	37.8	Very low	37.7	Very low	202 Å²	202	144.2 Å²	144.2	88%	0.878	75%	0.751	S	S	*	*			trans	-160.9	137.5	134	-113.5	166.5	-172.9	177.4	0	112.5
680	D	34.9	Very low	37.7	Very low	147 Å²	147	139.5 Å²	139.5	79%	0.786	74%	0.739	S	S	*	*			trans	-69.1	147.4	-178.3	-44.9	-84.9	0	0	0	111.8
681	N	38.6	Very low	37.5	Very low	161 Å²	161	137.1 Å²	137.1	86%	0.861	73%	0.729	S	S	*	*			trans	-146.1	104.5	152.4	-98.3	-31.5	0	0	0	108.3
682	D	34.3	Very low	37.3	Very low	161 Å²	161	140 Å²	140	86%	0.861	74%	0.736	S	S	*	*			trans	-79.4	115.6	-179.9	-157.6	-0.3	0	0	0	108.6
683	I	39.9	Very low	37.3	Very low	149 Å²	149	141.3 Å²	141.3	76%	0.764	74%	0.735	S	S	*	*			trans	-126.8	107	172.1	-61.5	-178.7	0	0	0	106.7	N685	I683-N685 PolarHBondContact O-N 2.9Å
684	G	32	Very low	37	Very low	56 Å²	56	141.1 Å²	141.1	58%	0.577	73%	0.734	S	S	*	*			trans	-66.4	126.7	-174.9	0	0	0	0	0	112.7	D686	G684-D686 PolarHBondContact O-N 3.45Å
685	N	34.2	Very low	36.4	Very low	133 Å²	133	142.5 Å²	142.5	71%	0.711	73%	0.733	S	S	*	*			trans	-84.2	86.6	163.4	-84.1	-29.4	0	0	0	109.2	I683 D687	I683-N685 PolarHBondContact O-N 2.9Å; N685-D687 PolarHBondContact O-N 3.22Å; N685-D687 VanDerWaalsContact O-N 3.11Å
686	D	39.7	Very low	36.1	Very low	130 Å²	130	141.5 Å²	141.5	70%	0.695	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-11	174.2	-75.9	-40.9	0	0	0	113.3	G684 E688 I689	G684-D686 PolarHBondContact O-N 3.45Å; D686-E688 PolarHBondContact O-N 2.87Å; D686-I689 PolarHBondContact O-N 3.33Å
687	D	42.4	Very low	35.9	Very low	127 Å²	127	141.3 Å²	141.3	68%	0.679	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-26.2	-177.1	-71.1	-43.9	0	0	0	114.8	N685 I689 S690	N685-D687 PolarHBondContact O-N 3.22Å; N685-D687 VanDerWaalsContact O-N 3.11Å; D687-I689 VanDerWaalsContact C-N 3.26Å; D687-I689 PolarHBondContact O-N 3.23Å; D687-S690 PolarHBondContact O-N 3.31Å; D687-S690 PolarHBondContact O-OG 3.07Å
688	E	38.7	Very low	35.8	Very low	154 Å²	154	136.5 Å²	136.5	72%	0.72	73%	0.727	S	S	*	*	H	α-helix	trans	-67.9	-24.6	177.7	-79.4	-151.9	134.1	0	0	112.9	D686 S690	D686-E688 PolarHBondContact O-N 2.87Å; E688-S690 VanDerWaalsContact C-N 3.3Å; E688-S690 PolarHBondContact O-N 3.03Å
689	I	38.2	Very low	36.5	Very low	108 Å²	108	132 Å²	132	55%	0.554	71%	0.713	S	S	*	*	H	α-helix	trans	-75.4	-20.2	-178.7	-64.9	174.4	0	0	0	111.9	D686 D687	D686-I689 PolarHBondContact O-N 3.33Å; D687-I689 VanDerWaalsContact C-N 3.26Å; D687-I689 PolarHBondContact O-N 3.23Å
690	S	34.9	Very low	36.9	Very low	70 Å²	70	127.9 Å²	127.9	49%	0.49	71%	0.707	S	S	.	*	H	α-helix	trans	-73	-36.8	176.6	73.9	0	0	0	0	112.7	D687 E688 F692 K693	D687-S690 PolarHBondContact O-N 3.31Å; D687-S690 PolarHBondContact O-OG 3.07Å; E688-S690 VanDerWaalsContact C-N 3.3Å; E688-S690 PolarHBondContact O-N 3.03Å; S690-F692 VanDerWaalsContact C-N 3.32Å; S690-F692 PolarHBondContact O-N 2.7Å; S690-K693 PolarHBondContact O-N 3.1Å
691	S	36.2	Very low	37.9	Very low	90 Å²	90	125.9 Å²	125.9	63%	0.629	69%	0.692	S	S	*	*	H	α-helix	trans	-65.2	-32.1	-175.4	-172.4	0	0	0	0	113.2	K693	S691-K693 VanDerWaalsContact C-N 3.28Å; S691-K693 PolarHBondContact O-N 2.84Å
692	F	34.6	Very low	38.8	Very low	173 Å²	173	119 Å²	119	76%	0.759	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-71.6	-16.9	178.4	-80.2	-86	0	0	0	114.5	S690	S690-F692 VanDerWaalsContact C-N 3.32Å; S690-F692 PolarHBondContact O-N 2.7Å
693	K	37.5	Very low	40	Very low	169 Å²	169	116.2 Å²	116.2	74%	0.735	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-84.8	-12.8	-176.8	-67	179.7	-179.5	173.5	0	114.4	S690 S691	S690-K693 PolarHBondContact O-N 3.1Å; S691-K693 VanDerWaalsContact C-N 3.28Å; S691-K693 PolarHBondContact O-N 2.84Å
694	N	33.2	Very low	40.8	Very low	144 Å²	144	110.8 Å²	110.8	77%	0.77	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-105.2	8.1	-175.3	-71.9	-21.9	0	0	0	114.6
695	K	29.9	Very low	41.9	Very low	174 Å²	174	111.2 Å²	111.2	76%	0.757	60%	0.603	S	S	*	*	S	Bend	trans	-73.8	125.7	171.3	-156.9	174.1	-171.7	179.6	0	108.3
696	P	32	Very low	43	Very low	104 Å²	104	111.3 Å²	111.3	68%	0.675	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-56.6	141	174.7	24.4	-33.6	0	0	0	108.8	G698	P696-G698 PolarHBondContact O-N 3.27Å; P696-G698 VanDerWaalsContact O-N 3.11Å
697	P	31.9	Very low	44	Very low	126 Å²	126	109.5 Å²	109.5	82%	0.818	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-53.8	124.5	-176.2	21.4	-32.6	0	0	0	109.1	K699	P697-K699 PolarHBondContact O-N 3.45Å
698	G	36.6	Very low	45	Very low	69 Å²	69	105.6 Å²	105.6	71%	0.711	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-53.5	135.4	178.8	0	0	0	0	0	109.3	P696 P700	P696-G698 PolarHBondContact O-N 3.27Å; P696-G698 VanDerWaalsContact O-N 3.11Å; G698-P700 VanDerWaalsContact O-N 3.1Å
699	K	50.2	Low	46.9	Very low	124 Å²	124	100.9 Å²	100.9	54%	0.539	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-49.5	123.3	-178.2	-66.7	-178.4	-177.4	177.5	0	108.4	P697 F701 D794	P697-K699 PolarHBondContact O-N 3.45Å; K699-F701 PolarHBondContact O-N 3.01Å; K699-D794 IonicContact NZ-OD1 3.07Å; K699-D794 PolarHBondContact NZ-OD1 3.37Å; K699-D794 IonicContact NZ-OD2 3.85Å; K699-D794 PolarHBondContact NZ-OD2 3.21Å
700	P	45.4	Very low	49.3	Very low	117 Å²	117	98.1 Å²	98.1	76%	0.76	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-58.7	128.7	-174.1	22.5	-32.9	0	0	0	109	G698 Y702	G698-P700 VanDerWaalsContact O-N 3.1Å; P700-Y702 PolarHBondContact O-N 3.09Å; P700-Y702 VanDerWaalsContact O-N 3.12Å
701	F	54.9	Low	51.8	Low	105 Å²	105	96.8 Å²	96.8	46%	0.461	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-65.4	116.4	-178.7	-158.4	-81.5	0	0	0	108.3	K699 F703 Q770	K699-F701 PolarHBondContact O-N 3.01Å; F701-F703 HydrophobicContact CB-CE2 3.84Å; F701-F703 HydrophobicContact CB-CZ 4Å; F701-F703 AromaticContact CD1-CD1 3.98Å; F701-F703 HydrophobicContact CD1-CD1 3.98Å; F701-F703 HydrophobicContact CD1-CD2 4.35Å; F701-F703 AromaticContact CD1-CE1 3.48Å; F701-F703 HydrophobicContact CD1-CE1 3.48Å; F701-F703 VanDerWaalsContact CD1-CE1 3.48Å; F701-F703 AromaticContact CD1-CE2 3.91Å; F701-F703 HydrophobicContact CD1-CE2 3.91Å; F701-F703 HydrophobicContact CD1-CG 4.39Å; F701-F703 AromaticContact CD1-CZ 3.44Å; F701-F703 HydrophobicContact CD1-CZ 3.44Å; F701-F703 VanDerWaalsContact CD1-CZ 3.44Å; F701-F703 HydrophobicContact CE1-CD1 4.35Å; F701-F703 AromaticContact CE1-CE1 3.85Å; F701-F703 HydrophobicContact CE1-CE1 3.85Å; F701-F703 HydrophobicContact CE1-CZ 4.21Å; F701-F703 HydrophobicContact CG-CE1 4.43Å; F701-F703 HydrophobicContact CG-CE2 4.28Å; F701-F703 AromaticContact CG-CZ 3.98Å; F701-F703 HydrophobicContact CG-CZ 3.98Å; F701-F703 WeakPolarHBondContact O-CD2 3.39Å; F701-F703 WeakPolarHBondContact O-CE2 3.25Å; F701-F703 PolarHBondContact O-N 3.44Å; F701-Q770 VanDerWaalsContact CZ-NE2 3.31Å
702	Y	58.4	Low	54.4	Low	17 Å²	17	93.5 Å²	93.5	7%	0.067	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-73.3	120.5	-179.4	176.2	-121.2	0	0	0	109.5	P700 P704 Q707 M767 R778 E779 V780	P700-Y702 PolarHBondContact O-N 3.09Å; P700-Y702 VanDerWaalsContact O-N 3.12Å; Y702-P704 HydrophobicContact CD1-CG 3.81Å; Y702-P704 HydrophobicContact CE1-CB 4.06Å; Y702-P704 HydrophobicContact CE1-CG 3.52Å; Y702-P704 VanDerWaalsContact O-CD 3.25Å; Y702-P704 WeakPolarHBondContact O-CD 3.47Å; Y702-Q707 HydrophobicContact CD2-CB 4.47Å; Y702-Q707 HydrophobicContact CE2-CB 4.22Å; Y702-M767 HydrophobicContact CD1-CE 4.22Å; Y702-M767 WeakPolarHBondContact O-CE 3.46Å; Y702-R778 WeakPolarHBondContact CB-O 3.5Å; Y702-R778 VanDerWaalsContact CG-O 3.32Å; Y702-E779 HydrophobicContact CD1-CB 4.13Å; Y702-E779 HydrophobicContact CD2-CB 3.95Å; Y702-E779 HydrophobicContact CE1-CB 4.02Å; Y702-E779 HydrophobicContact CE2-CB 3.87Å; Y702-E779 HydrophobicContact CG-CB 4.08Å; Y702-V780 HydrophobicContact CE1-CG2 4.42Å
703	F	60.2	Low	57	Low	101 Å²	101	91.2 Å²	91.2	44%	0.443	50%	0.503	S	S	.	.			trans	-109.6	91.2	174.2	-65.1	-75.3	0	0	0	108.6	F701 S705 I706 Q707	F701-F703 HydrophobicContact CB-CE2 3.84Å; F701-F703 HydrophobicContact CB-CZ 4Å; F701-F703 AromaticContact CD1-CD1 3.98Å; F701-F703 HydrophobicContact CD1-CD1 3.98Å; F701-F703 HydrophobicContact CD1-CD2 4.35Å; F701-F703 AromaticContact CD1-CE1 3.48Å; F701-F703 HydrophobicContact CD1-CE1 3.48Å; F701-F703 VanDerWaalsContact CD1-CE1 3.48Å; F701-F703 AromaticContact CD1-CE2 3.91Å; F701-F703 HydrophobicContact CD1-CE2 3.91Å; F701-F703 HydrophobicContact CD1-CG 4.39Å; F701-F703 AromaticContact CD1-CZ 3.44Å; F701-F703 HydrophobicContact CD1-CZ 3.44Å; F701-F703 VanDerWaalsContact CD1-CZ 3.44Å; F701-F703 HydrophobicContact CE1-CD1 4.35Å; F701-F703 AromaticContact CE1-CE1 3.85Å; F701-F703 HydrophobicContact CE1-CE1 3.85Å; F701-F703 HydrophobicContact CE1-CZ 4.21Å; F701-F703 HydrophobicContact CG-CE1 4.43Å; F701-F703 HydrophobicContact CG-CE2 4.28Å; F701-F703 AromaticContact CG-CZ 3.98Å; F701-F703 HydrophobicContact CG-CZ 3.98Å; F701-F703 WeakPolarHBondContact O-CD2 3.39Å; F701-F703 WeakPolarHBondContact O-CE2 3.25Å; F701-F703 PolarHBondContact O-N 3.44Å; F703-S705 PolarHBondContact O-N 3.37Å; F703-I706 HydrophobicContact CB-CB 4.22Å; F703-I706 HydrophobicContact CB-CD1 4.15Å; F703-I706 HydrophobicContact CB-CG1 4.3Å; F703-I706 HydrophobicContact CG-CD1 4.45Å; F703-I706 PolarHBondContact O-N 2.91Å; F703-Q707 PolarHBondContact O-N 2.97Å
704	P	56.1	Low	59.6	Low	35 Å²	35	85.5 Å²	85.5	23%	0.227	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-29.1	177.7	-21.1	23.6	0	0	0	113.7	V256 Y702 I706 M767	V256-P704 HydrophobicContact CG2-CB 3.31Å; Y702-P704 HydrophobicContact CD1-CG 3.81Å; Y702-P704 HydrophobicContact CE1-CB 4.06Å; Y702-P704 HydrophobicContact CE1-CG 3.52Å; Y702-P704 VanDerWaalsContact O-CD 3.25Å; Y702-P704 WeakPolarHBondContact O-CD 3.47Å; P704-I706 VanDerWaalsContact C-N 3.29Å; P704-I706 PolarHBondContact O-N 3.25Å; P704-M767 HydrophobicContact CG-CE 4.18Å
705	S	54.2	Low	62.5	Low	65 Å²	65	79.1 Å²	79.1	46%	0.455	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.6	-179.7	-43	0	0	0	0	114.4	T255 F703	T255-S705 VanDerWaalsContact OG1-CA 3.25Å; T255-S705 WeakPolarHBondContact OG1-CA 3.3Å; T255-S705 WeakPolarHBondContact OG1-CB 3.12Å; T255-S705 PolarHBondContact OG1-O 2.7Å; T255-S705 VanDerWaalsContact OG1-O 3.09Å; F703-S705 PolarHBondContact O-N 3.37Å
706	I	57	Low	65.6	Low	136 Å²	136	75.3 Å²	75.3	70%	0.697	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	-43	-176	-57.7	172.6	0	0	0	110	F703 P704	F703-I706 HydrophobicContact CB-CB 4.22Å; F703-I706 HydrophobicContact CB-CD1 4.15Å; F703-I706 HydrophobicContact CB-CG1 4.3Å; F703-I706 HydrophobicContact CG-CD1 4.45Å; F703-I706 PolarHBondContact O-N 2.91Å; P704-I706 VanDerWaalsContact C-N 3.29Å; P704-I706 PolarHBondContact O-N 3.25Å
707	Q	61.4	Low	68.5	Low	91 Å²	91	73.9 Å²	73.9	43%	0.425	42%	0.422	S	S	.	.	S	Bend	trans	-95.9	115.8	-178.4	-66.4	172.1	-9.4	0	0	110	Y702 F703	Y702-Q707 HydrophobicContact CD2-CB 4.47Å; Y702-Q707 HydrophobicContact CE2-CB 4.22Å; F703-Q707 PolarHBondContact O-N 2.97Å
708	G	63.6	Low	71.4	Confident	45 Å²	45	70.7 Å²	70.7	46%	0.464	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-60.5	150.8	172.9	0	0	0	0	0	112.2	R710	G708-R710 PolarHBondContact O-N 3.37Å
709	C	78.3	Confident	74	Confident	56 Å²	56	69.3 Å²	69.3	38%	0.378	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-63.2	131.3	178.7	-60.6	0	0	0	0	111.2	V780 V782	C709-V780 VanDerWaalsContact CB-O 3.29Å; C709-V780 WeakPolarHBondContact CB-O 3.24Å; C709-V780 PolarHBondContact SG-O 3Å; C709-V782 HydrophobicContact CB-CG2 3.86Å
710	R	88.6	Confident	76	Confident	49 Å²	49	69.4 Å²	69.4	19%	0.185	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-68.6	158.7	171.9	-69.5	171	52.7	-158.2	5.1	110.9	G708 E714 D734 E779 V781 V782	G708-R710 PolarHBondContact O-N 3.37Å; R710-E714 IonicContact CZ-OE2 3.95Å; R710-E714 VanDerWaalsContact CZ-OE2 3.22Å; R710-E714 IonicContact NE-OE2 3.3Å; R710-E714 PolarHBondContact NE-OE2 3.42Å; R710-E714 IonicContact NH2-OE2 2.7Å; R710-E714 PolarHBondContact NH2-OE2 2.89Å; R710-D734 IonicContact CZ-OD1 3.79Å; R710-D734 IonicContact CZ-OD2 3.5Å; R710-D734 IonicContact NH1-OD1 3.38Å; R710-D734 IonicContact NH1-OD2 3.73Å; R710-D734 PolarHBondContact NH1-OD2 2.68Å; R710-D734 VanDerWaalsContact NH2-CG 3.31Å; R710-D734 IonicContact NH2-OD1 3.33Å; R710-D734 PolarHBondContact NH2-OD1 2.92Å; R710-D734 IonicContact NH2-OD2 2.61Å; R710-D734 PolarHBondContact NH2-OD2 3.15Å; R710-D734 VanDerWaalsContact NH2-OD2 3.07Å; R710-E779 WeakPolarHBondContact CB-OE2 3.1Å; R710-E779 WeakPolarHBondContact CD-OE1 3.41Å; R710-E779 VanDerWaalsContact CD-OE2 3.26Å; R710-E779 WeakPolarHBondContact CD-OE2 3.27Å; R710-E779 WeakPolarHBondContact CG-OE2 3.47Å; R710-E779 IonicContact CZ-OE1 2.71Å; R710-E779 IonicContact NE-OE1 3.35Å; R710-E779 IonicContact NH1-OE1 2.68Å; R710-E779 PolarHBondContact NH1-OE1 3.11Å; R710-V781 HydrophobicContact CB-CG1 3.96Å; R710-V781 WeakPolarHBondContact O-CA 3.45Å; R710-V781 VanDerWaalsContact O-CB 3.31Å; R710-V781 WeakPolarHBondContact O-CB 3.45Å; R710-V782 PolarHBondContact O-N 3.11Å; R710-V782 VanDerWaalsContact O-N 3.09Å
711	S	88.3	Confident	78	Confident	42 Å²	42	67 Å²	67	29%	0.294	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-75	136.1	173	178.1	0	0	0	0	110.6	E713 E714 V782	S711-E713 PolarHBondContact O-N 3.09Å; S711-E713 VanDerWaalsContact O-N 3.08Å; S711-E713 WeakPolarHBondContact OG-CB 3.38Å; S711-E713 PolarHBondContact OG-N 2.8Å; S711-E713 VanDerWaalsContact OG-N 3.16Å; S711-E714 WeakPolarHBondContact O-CB 3.29Å; S711-E714 WeakPolarHBondContact O-CG 3.04Å; S711-E714 PolarHBondContact O-N 2.9Å; S711-V782 WeakPolarHBondContact CA-O 3.43Å
712	V	89.5	Confident	79.4	Confident	22 Å²	22	67 Å²	67	13%	0.133	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-59.5	-20.1	171.1	76.6	0	0	0	0	112.5	E714 F715 L743 V781 V782 Y790	V712-E714 PolarHBondContact O-N 2.7Å; V712-F715 PolarHBondContact O-N 3.31Å; V712-L743 HydrophobicContact CG2-CD1 4.33Å; V712-V781 HydrophobicContact CB-CG2 4.21Å; V712-V781 HydrophobicContact CG2-CG2 4.19Å; V712-V782 PolarHBondContact N-O 3.43Å; V712-Y790 HydrophobicContact CB-CD2 4.12Å; V712-Y790 HydrophobicContact CB-CE2 4.21Å; V712-Y790 HydrophobicContact CG1-CE2 4.21Å; V712-Y790 HydrophobicContact CG2-CD1 4.4Å; V712-Y790 HydrophobicContact CG2-CD2 3.63Å; V712-Y790 HydrophobicContact CG2-CE1 4.41Å; V712-Y790 HydrophobicContact CG2-CE2 3.71Å; V712-Y790 HydrophobicContact CG2-CG 4.02Å
713	E	89.7	Confident	80.5	Confident	124 Å²	124	71.3 Å²	71.3	58%	0.579	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-69.2	-14.2	176.6	-59.7	178.3	176.3	0	0	112.6	S711 F715 K735	S711-E713 PolarHBondContact O-N 3.09Å; S711-E713 VanDerWaalsContact O-N 3.08Å; S711-E713 WeakPolarHBondContact OG-CB 3.38Å; S711-E713 PolarHBondContact OG-N 2.8Å; S711-E713 VanDerWaalsContact OG-N 3.16Å; E713-F715 PolarHBondContact O-N 3.42Å; E713-K735 PolarHBondContact O-NZ 3.27Å
714	E	91.7	Very high	81	Confident	50 Å²	50	67.9 Å²	67.9	23%	0.234	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-74.4	-5.7	168.6	-59.8	-172.9	-164.5	0	0	113.6	R710 S711 V712 K735 K736	R710-E714 IonicContact CZ-OE2 3.95Å; R710-E714 VanDerWaalsContact CZ-OE2 3.22Å; R710-E714 IonicContact NE-OE2 3.3Å; R710-E714 PolarHBondContact NE-OE2 3.42Å; R710-E714 IonicContact NH2-OE2 2.7Å; R710-E714 PolarHBondContact NH2-OE2 2.89Å; S711-E714 WeakPolarHBondContact O-CB 3.29Å; S711-E714 WeakPolarHBondContact O-CG 3.04Å; S711-E714 PolarHBondContact O-N 2.9Å; V712-E714 PolarHBondContact O-N 2.7Å; E714-K735 WeakPolarHBondContact O-CB 3.32Å; E714-K735 WeakPolarHBondContact O-CD 3.2Å; E714-K735 WeakPolarHBondContact O-CG 3.35Å; E714-K735 PolarHBondContact O-N 2.88Å; E714-K736 IonicContact OE1-NZ 2.73Å; E714-K736 PolarHBondContact OE1-NZ 3.39Å; E714-K736 WeakPolarHBondContact OE2-CD 3.2Å; E714-K736 WeakPolarHBondContact OE2-CE 3.39Å; E714-K736 IonicContact OE2-NZ 3.7Å; E714-K736 PolarHBondContact OE2-NZ 3.47Å
715	F	94.3	Very high	81.5	Confident	10 Å²	10	70.9 Å²	70.9	4%	0.044	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.6	178.3	-60.7	-99	0	0	0	110.3	V712 E713 A732 R733 D734 V741 L743 V781 V792	V712-F715 PolarHBondContact O-N 3.31Å; E713-F715 PolarHBondContact O-N 3.42Å; F715-A732 HydrophobicContact CB-CB 4.43Å; F715-R733 CarbonylContact C-O 3.55Å; F715-R733 WeakPolarHBondContact CA-O 3.17Å; F715-D734 HydrophobicContact CD1-CB 3.93Å; F715-D734 HydrophobicContact CE1-CB 3.73Å; F715-D734 WeakPolarHBondContact CE1-OD2 3.13Å; F715-V741 HydrophobicContact CD1-CG2 3.81Å; F715-V741 HydrophobicContact CE1-CG2 4.01Å; F715-L743 HydrophobicContact CB-CD1 3.88Å; F715-L743 HydrophobicContact CD1-CD2 4.15Å; F715-L743 HydrophobicContact CE1-CD2 4.49Å; F715-L743 HydrophobicContact CG-CD1 4.29Å; F715-L743 HydrophobicContact CG-CD2 4.36Å; F715-V781 HydrophobicContact CE2-CB 4.38Å; F715-V781 HydrophobicContact CE2-CG1 3.8Å; F715-V781 HydrophobicContact CE2-CG2 4.31Å; F715-V781 HydrophobicContact CZ-CG1 4.19Å; F715-V792 HydrophobicContact CE1-CG1 3.91Å; F715-V792 HydrophobicContact CE1-CG2 4.12Å; F715-V792 HydrophobicContact CE2-CG2 4.36Å; F715-V792 HydrophobicContact CZ-CG1 4.26Å; F715-V792 HydrophobicContact CZ-CG2 3.82Å
716	E	94.4	Very high	82.1	Confident	93 Å²	93	69.4 Å²	69.4	44%	0.435	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	104	170.7	-177.7	-172.9	-157.3	0	0	108.5	L718 A732 R733 K735	E716-L718 HydrophobicContact CG-CD2 4.04Å; E716-L718 PolarHBondContact O-N 2.99Å; E716-A732 CarbonylContact O-C 3.56Å; E716-A732 WeakPolarHBondContact O-CA 3.41Å; E716-A732 WeakPolarHBondContact O-CB 3.5Å; E716-R733 HydrophobicContact CB-CB 4.3Å; E716-R733 PolarHBondContact N-O 2.84Å; E716-R733 PolarHBondContact O-N 3.39Å; E716-R733 IonicContact OE2-NE 2.97Å; E716-K735 HydrophobicContact CB-CG 4.43Å
717	C	92.8	Very high	83.1	Confident	75 Å²	75	63 Å²	63	51%	0.507	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	114.1	174.2	176.9	0	0	0	0	110.2	Y730	C717-Y730 VanDerWaalsContact SG-CD1 3.53Å
718	L	92.9	Very high	84.3	Confident	58 Å²	58	59.2 Å²	59.2	30%	0.304	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-58.7	-175.4	-57.7	177.8	0	0	0	111.6	E716 R731 R733 I740	E716-L718 HydrophobicContact CG-CD2 4.04Å; E716-L718 PolarHBondContact O-N 2.99Å; L718-R731 WeakPolarHBondContact CB-O 3.35Å; L718-R731 HydrophobicContact CD1-CG 4.34Å; L718-R731 PolarHBondContact N-O 3.44Å; L718-R733 HydrophobicContact CD1-CB 4.36Å; L718-I740 HydrophobicContact CD1-CD1 3.77Å
719	N	92.5	Very high	85.7	Confident	41 Å²	41	58.1 Å²	58.1	22%	0.219	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	155.1	-179.4	58.9	-78.3	0	0	0	112	Y730 R731 S1020	N719-Y730 CarbonylContact O-C 3.52Å; N719-Y730 WeakPolarHBondContact O-CA 3.25Å; N719-R731 PolarHBondContact N-O 3.22Å; N719-R731 PolarHBondContact O-N 3.4Å; N719-S1020 PolarHBondContact ND2-O 3.41Å; N719-S1020 PolarHBondContact OD1-O 2.97Å
720	R	91.6	Very high	86.4	Confident	126 Å²	126	58 Å²	58	48%	0.475	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	136.8	167.6	-164.3	-175.6	-149.9	-166.1	9.5	108.7	E723 V728 Y730	R720-E723 IonicContact CZ-OE2 3.56Å; R720-E723 IonicContact NH1-OE2 3.22Å; R720-E723 PolarHBondContact NH1-OE2 2.61Å; R720-E723 IonicContact NH2-OE1 2.85Å; R720-E723 PolarHBondContact NH2-OE1 3.26Å; R720-E723 IonicContact NH2-OE2 3.05Å; R720-E723 PolarHBondContact NH2-OE2 3.43Å; R720-V728 HydrophobicContact CG-CG1 4.01Å; R720-Y730 HydrophobicContact CB-CD1 4.27Å; R720-Y730 HydrophobicContact CB-CE1 4.36Å; R720-Y730 HydrophobicContact CG-CD1 4.46Å; R720-Y730 HydrophobicContact CG-CE1 4.34Å
721	I	87.3	Confident	86.7	Confident	66 Å²	66	57.4 Å²	57.4	34%	0.338	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-61	169.8	-58.5	167.4	0	0	0	107.9	V729 R731 Y795	I721-V729 HydrophobicContact CD1-CG1 4.2Å; I721-V729 PolarHBondContact N-O 3.45Å; I721-R731 HydrophobicContact CD1-CB 3.81Å; I721-R731 HydrophobicContact CG1-CB 3.86Å; I721-Y795 HydrophobicContact CD1-CD2 3.92Å; I721-Y795 HydrophobicContact CD1-CE2 3.71Å
722	E	83.6	Confident	87	Confident	105 Å²	105	55.4 Å²	55.4	49%	0.491	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	162.2	-167.3	-171	169.7	-156.9	0	0	112.2	V728 V729	E722-V728 WeakPolarHBondContact O-CG1 3.26Å; E722-V729 HydrophobicContact CB-CB 4.42Å; E722-V729 PolarHBondContact N-O 2.76Å; E722-V729 PolarHBondContact O-N 3.03Å
723	E	83.3	Confident	87.4	Confident	108 Å²	108	57.8 Å²	57.8	51%	0.505	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	104.4	166.6	175.8	156.6	-142	0	0	109.4	R720 V728	R720-E723 IonicContact CZ-OE2 3.56Å; R720-E723 IonicContact NH1-OE2 3.22Å; R720-E723 PolarHBondContact NH1-OE2 2.61Å; R720-E723 IonicContact NH2-OE1 2.85Å; R720-E723 PolarHBondContact NH2-OE1 3.26Å; R720-E723 IonicContact NH2-OE2 3.05Å; R720-E723 PolarHBondContact NH2-OE2 3.43Å; E723-V728 HydrophobicContact CG-CG2 4.27Å
724	G	70.8	Confident	87.7	Confident	28 Å²	28	52.3 Å²	52.3	29%	0.289	26%	0.26	S	S	.	.			trans	-91.8	-178.7	174.8	0	0	0	0	0	112.2	G727 K747	G724-G727 PolarHBondContact N-O 3.49Å; G724-G727 VanDerWaalsContact O-O 3.12Å; G724-K747 PolarHBondContact O-NZ 2.88Å
725	T	65.5	Low	87.8	Confident	98 Å²	98	55.8 Å²	55.8	60%	0.601	27%	0.274	S	S	*	.	S	Bend	trans	-56	-54.2	175.8	-53.1	0	0	0	0	111	G727 K747	T725-G727 PolarHBondContact O-N 3.34Å; T725-K747 WeakPolarHBondContact O-CD 3.3Å; T725-K747 WeakPolarHBondContact O-CE 3.32Å; T725-K747 PolarHBondContact O-NZ 3.15Å
726	Y	67	Low	87.7	Confident	34 Å²	34	61.9 Å²	61.9	13%	0.133	30%	0.301	C	S	.	.	S	Bend	trans	-83.3	-11	-170.9	-51.2	-78	0	0	0	115	K747 G859 L860	Y726-K747 PolarHBondContact O-N 3.12Å; Y726-G859 VanDerWaalsContact CE2-CA 3.47Å; Y726-G859 VanDerWaalsContact CZ-C 3.49Å; Y726-G859 VanDerWaalsContact OH-C 3.3Å; Y726-G859 PolarHBondContact OH-O 3.09Å; Y726-G859 VanDerWaalsContact OH-O 3.14Å; Y726-L860 WeakPolarHBondContact OH-CD2 3.23Å; Y726-L860 WeakPolarHBondContact OH-CG 3.49Å
727	G	77.9	Confident	87.6	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	173.6	-166	0	0	0	0	0	116	G724 T725 R745	G724-G727 PolarHBondContact N-O 3.49Å; G724-G727 VanDerWaalsContact O-O 3.12Å; T725-G727 PolarHBondContact O-N 3.34Å; G727-R745 CarbonylContact C-O 3.27Å; G727-R745 WeakPolarHBondContact CA-O 3.48Å
728	V	87.6	Confident	87.6	Confident	13 Å²	13	63.3 Å²	63.3	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.9	169.5	-176.1	0	0	0	0	108.3	R720 E722 E723 Y730 R745	R720-V728 HydrophobicContact CG-CG1 4.01Å; E722-V728 WeakPolarHBondContact O-CG1 3.26Å; E723-V728 HydrophobicContact CG-CG2 4.27Å; V728-Y730 HydrophobicContact CB-CE2 3.77Å; V728-Y730 HydrophobicContact CG1-CD2 4.24Å; V728-Y730 HydrophobicContact CG1-CE1 4.13Å; V728-Y730 HydrophobicContact CG1-CE2 3.53Å; V728-Y730 VanDerWaalsContact CG1-CZ 3.48Å; V728-Y730 WeakPolarHBondContact O-CD2 3.37Å; V728-R745 PolarHBondContact N-O 3.06Å; V728-R745 PolarHBondContact O-N 3.22Å
729	V	91.3	Very high	87.7	Confident	21 Å²	21	64.4 Å²	64.4	13%	0.127	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.3	-177.9	-167.1	0	0	0	0	109.7	I721 E722 A742 L743 K744 M793	I721-V729 HydrophobicContact CD1-CG1 4.2Å; I721-V729 PolarHBondContact N-O 3.45Å; E722-V729 HydrophobicContact CB-CB 4.42Å; E722-V729 PolarHBondContact N-O 2.76Å; E722-V729 PolarHBondContact O-N 3.03Å; V729-A742 HydrophobicContact CG1-CB 4.2Å; V729-L743 WeakPolarHBondContact CA-O 3.37Å; V729-K744 HydrophobicContact CG2-CB 4.24Å; V729-K744 HydrophobicContact CG2-CD 4.49Å; V729-K744 HydrophobicContact CG2-CG 4.18Å; V729-M793 HydrophobicContact CG1-CE 4.47Å
730	Y	93.6	Very high	87.8	Confident	53 Å²	53	64.1 Å²	64.1	21%	0.208	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140.7	178	-58.8	-91.8	0	0	0	110.3	C717 N719 R720 V728 A742 L743 R745 Y790	C717-Y730 VanDerWaalsContact SG-CD1 3.53Å; N719-Y730 CarbonylContact O-C 3.52Å; N719-Y730 WeakPolarHBondContact O-CA 3.25Å; R720-Y730 HydrophobicContact CB-CD1 4.27Å; R720-Y730 HydrophobicContact CB-CE1 4.36Å; R720-Y730 HydrophobicContact CG-CD1 4.46Å; R720-Y730 HydrophobicContact CG-CE1 4.34Å; V728-Y730 HydrophobicContact CB-CE2 3.77Å; V728-Y730 HydrophobicContact CG1-CD2 4.24Å; V728-Y730 HydrophobicContact CG1-CE1 4.13Å; V728-Y730 HydrophobicContact CG1-CE2 3.53Å; V728-Y730 VanDerWaalsContact CG1-CZ 3.48Å; V728-Y730 WeakPolarHBondContact O-CD2 3.37Å; Y730-A742 CarbonylContact O-C 3.43Å; Y730-A742 WeakPolarHBondContact O-CA 3.09Å; Y730-L743 PolarHBondContact N-O 3.31Å; Y730-L743 PolarHBondContact O-N 2.91Å; Y730-R745 HydrophobicContact CE2-CB 4.12Å; Y730-Y790 HydrophobicContact CD2-CE1 4.42Å; Y730-Y790 HydrophobicContact CE2-CE1 4.43Å
731	R	94.7	Very high	87.9	Confident	38 Å²	38	58.1 Å²	58.1	14%	0.143	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.7	162.2	-168.4	176.2	176.5	-117.9	7.9	107	L718 N719 I721 I740 Y795 E1021	L718-R731 WeakPolarHBondContact CB-O 3.35Å; L718-R731 HydrophobicContact CD1-CG 4.34Å; L718-R731 PolarHBondContact N-O 3.44Å; N719-R731 PolarHBondContact N-O 3.22Å; N719-R731 PolarHBondContact O-N 3.4Å; I721-R731 HydrophobicContact CD1-CB 3.81Å; I721-R731 HydrophobicContact CG1-CB 3.86Å; R731-I740 HydrophobicContact CG-CG2 3.73Å; R731-Y795 HydrophobicContact CB-CE2 4.29Å; R731-Y795 HydrophobicContact CG-CD2 4.07Å; R731-Y795 HydrophobicContact CG-CE2 3.75Å; R731-Y795 PolarHBondContact NE-OH 3Å; R731-E1021 IonicContact CZ-OE1 3.19Å; R731-E1021 IonicContact NE-OE1 2.69Å; R731-E1021 IonicContact NH2-OE1 2.86Å; R731-E1021 PolarHBondContact NH2-OE1 3.01Å
732	A	95.6	Very high	88.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	165	177	0	0	0	0	0	111.1	F715 E716 I740 V741 L743	F715-A732 HydrophobicContact CB-CB 4.43Å; E716-A732 CarbonylContact O-C 3.56Å; E716-A732 WeakPolarHBondContact O-CA 3.41Å; E716-A732 WeakPolarHBondContact O-CB 3.5Å; A732-I740 CarbonylContact O-C 3.22Å; A732-I740 WeakPolarHBondContact O-CA 3.38Å; A732-V741 HydrophobicContact CB-CG2 4.15Å; A732-V741 PolarHBondContact N-O 3.05Å; A732-V741 PolarHBondContact O-N 2.66Å; A732-L743 HydrophobicContact CB-CD1 3.46Å; A732-L743 VanDerWaalsContact CB-CD1 3.46Å; A732-L743 HydrophobicContact CB-CG 3.67Å
733	R	96.4	Very high	88.7	Confident	72 Å²	72	50.5 Å²	50.5	27%	0.272	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.7	169.8	175.6	-170.9	-61	-69.6	-6.1	108.4	F715 E716 L718 K735 N738 E739 I740	F715-R733 CarbonylContact C-O 3.55Å; F715-R733 WeakPolarHBondContact CA-O 3.17Å; E716-R733 HydrophobicContact CB-CB 4.3Å; E716-R733 PolarHBondContact N-O 2.84Å; E716-R733 PolarHBondContact O-N 3.39Å; E716-R733 IonicContact OE2-NE 2.97Å; L718-R733 HydrophobicContact CD1-CB 4.36Å; R733-K735 PolarHBondContact O-N 3.48Å; R733-N738 VanDerWaalsContact CD-OD1 3.29Å; R733-N738 WeakPolarHBondContact CD-OD1 3.33Å; R733-N738 PolarHBondContact NH1-O 3.35Å; R733-N738 VanDerWaalsContact NH1-O 3.17Å; R733-N738 PolarHBondContact NH1-OD1 2.89Å; R733-E739 CarbonylContact C-O 3.58Å; R733-E739 VanDerWaalsContact CA-O 3.3Å; R733-E739 WeakPolarHBondContact CA-O 3.46Å; R733-I740 HydrophobicContact CB-CD1 4.16Å
734	D	95.7	Very high	89	Confident	8 Å²	8	46 Å²	46	4%	0.043	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	122	168.3	-173	-30.8	0	0	0	108.6	R710 F715 K736 V737 N738 E739	R710-D734 IonicContact CZ-OD1 3.79Å; R710-D734 IonicContact CZ-OD2 3.5Å; R710-D734 IonicContact NH1-OD1 3.38Å; R710-D734 IonicContact NH1-OD2 3.73Å; R710-D734 PolarHBondContact NH1-OD2 2.68Å; R710-D734 VanDerWaalsContact NH2-CG 3.31Å; R710-D734 IonicContact NH2-OD1 3.33Å; R710-D734 PolarHBondContact NH2-OD1 2.92Å; R710-D734 IonicContact NH2-OD2 2.61Å; R710-D734 PolarHBondContact NH2-OD2 3.15Å; R710-D734 VanDerWaalsContact NH2-OD2 3.07Å; F715-D734 HydrophobicContact CD1-CB 3.93Å; F715-D734 HydrophobicContact CE1-CB 3.73Å; F715-D734 WeakPolarHBondContact CE1-OD2 3.13Å; D734-K736 VanDerWaalsContact C-N 3.29Å; D734-K736 PolarHBondContact O-N 3.07Å; D734-K736 WeakPolarHBondContact OD1-CB 3.24Å; D734-K736 PolarHBondContact OD1-N 3.2Å; D734-V737 HydrophobicContact CB-CG2 3.76Å; D734-N738 WeakPolarHBondContact O-CA 3.15Å; D734-N738 PolarHBondContact O-N 3.15Å; D734-E739 PolarHBondContact N-O 2.91Å
735	K	94.7	Very high	89.9	Confident	123 Å²	123	48.8 Å²	48.8	54%	0.535	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.1	-176.5	-62.5	170.2	-173.7	167.1	0	113.2	E713 E714 E716 R733	E713-K735 PolarHBondContact O-NZ 3.27Å; E714-K735 WeakPolarHBondContact O-CB 3.32Å; E714-K735 WeakPolarHBondContact O-CD 3.2Å; E714-K735 WeakPolarHBondContact O-CG 3.35Å; E714-K735 PolarHBondContact O-N 2.88Å; E716-K735 HydrophobicContact CB-CG 4.43Å; R733-K735 PolarHBondContact O-N 3.48Å
736	K	91.9	Very high	90.7	Very high	139 Å²	139	44.2 Å²	44.2	60%	0.604	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-45.7	179.3	-74.2	-176.6	173.1	153.2	0	111.9	E714 D734	E714-K736 IonicContact OE1-NZ 2.73Å; E714-K736 PolarHBondContact OE1-NZ 3.39Å; E714-K736 WeakPolarHBondContact OE2-CD 3.2Å; E714-K736 WeakPolarHBondContact OE2-CE 3.39Å; E714-K736 IonicContact OE2-NZ 3.7Å; E714-K736 PolarHBondContact OE2-NZ 3.47Å; D734-K736 VanDerWaalsContact C-N 3.29Å; D734-K736 PolarHBondContact O-N 3.07Å; D734-K736 WeakPolarHBondContact OD1-CB 3.24Å; D734-K736 PolarHBondContact OD1-N 3.2Å
737	V	93.4	Very high	90.9	Very high	91 Å²	91	46 Å²	46	55%	0.552	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-4.2	-176.2	-62.2	0	0	0	0	114.1	D734 E739	D734-V737 HydrophobicContact CB-CG2 3.76Å; V737-E739 HydrophobicContact CG2-CB 3.79Å; V737-E739 PolarHBondContact O-N 3.14Å
738	N	92.9	Very high	90.4	Very high	106 Å²	106	47.9 Å²	47.9	57%	0.567	22%	0.223	S	C	*	.			trans	60.7	17.5	-178.4	-163.9	23.5	0	0	0	114.9	R733 D734	R733-N738 VanDerWaalsContact CD-OD1 3.29Å; R733-N738 WeakPolarHBondContact CD-OD1 3.33Å; R733-N738 PolarHBondContact NH1-O 3.35Å; R733-N738 VanDerWaalsContact NH1-O 3.17Å; R733-N738 PolarHBondContact NH1-OD1 2.89Å; D734-N738 WeakPolarHBondContact O-CA 3.15Å; D734-N738 PolarHBondContact O-N 3.15Å
739	E	93.9	Very high	89.2	Confident	81 Å²	81	53.5 Å²	53.5	38%	0.379	25%	0.248	S	C	.	.			trans	-89.3	150.6	-177.5	-159.4	-171.6	162.5	0	0	112	R733 D734 V737 R778	R733-E739 CarbonylContact C-O 3.58Å; R733-E739 VanDerWaalsContact CA-O 3.3Å; R733-E739 WeakPolarHBondContact CA-O 3.46Å; D734-E739 PolarHBondContact N-O 2.91Å; V737-E739 HydrophobicContact CG2-CB 3.79Å; V737-E739 PolarHBondContact O-N 3.14Å; E739-R778 IonicContact OE1-CZ 3.03Å; E739-R778 IonicContact OE1-NH1 3.26Å; E739-R778 PolarHBondContact OE1-NH1 3.48Å; E739-R778 IonicContact OE1-NH2 3.43Å; E739-R778 PolarHBondContact OE1-NH2 2.84Å; E739-R778 IonicContact OE2-CZ 2.68Å; E739-R778 IonicContact OE2-NH1 3.07Å; E739-R778 PolarHBondContact OE2-NH1 3.33Å; E739-R778 IonicContact OE2-NH2 3.67Å
740	I	94.7	Very high	87.5	Confident	35 Å²	35	62.8 Å²	62.8	18%	0.179	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.2	173.9	-54.8	-58.4	0	0	0	110.1	L718 R731 A732 R733 Y795	L718-I740 HydrophobicContact CD1-CD1 3.77Å; R731-I740 HydrophobicContact CG-CG2 3.73Å; A732-I740 CarbonylContact O-C 3.22Å; A732-I740 WeakPolarHBondContact O-CA 3.38Å; R733-I740 HydrophobicContact CB-CD1 4.16Å; I740-Y795 HydrophobicContact CB-CD1 4.3Å; I740-Y795 HydrophobicContact CG2-CD1 3.5Å; I740-Y795 VanDerWaalsContact CG2-CD1 3.5Å; I740-Y795 HydrophobicContact CG2-CD2 4.3Å; I740-Y795 HydrophobicContact CG2-CE1 3.98Å; I740-Y795 HydrophobicContact CG2-CG 3.67Å
741	V	94.9	Very high	85.6	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	158.4	-179.4	-62.6	0	0	0	0	111.1	F715 A732 L743 V792	F715-V741 HydrophobicContact CD1-CG2 3.81Å; F715-V741 HydrophobicContact CE1-CG2 4.01Å; A732-V741 HydrophobicContact CB-CG2 4.15Å; A732-V741 PolarHBondContact N-O 3.05Å; A732-V741 PolarHBondContact O-N 2.66Å; V741-L743 HydrophobicContact CG2-CD2 4.27Å; V741-L743 HydrophobicContact CG2-CG 4.49Å; V741-V792 HydrophobicContact CB-CG1 3.99Å; V741-V792 HydrophobicContact CG1-CG1 4.13Å; V741-V792 HydrophobicContact CG2-CG1 4.06Å
742	A	94.6	Very high	83.7	Confident	8 Å²	8	73.6 Å²	73.6	7%	0.066	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.5	169.4	0	0	0	0	0	109.7	V729 Y730 M793	V729-A742 HydrophobicContact CG1-CB 4.2Å; Y730-A742 CarbonylContact O-C 3.43Å; Y730-A742 WeakPolarHBondContact O-CA 3.09Å; A742-M793 HydrophobicContact CB-CB 4.32Å; A742-M793 HydrophobicContact CB-CE 4.04Å; A742-M793 PolarHBondContact N-O 2.9Å; A742-M793 PolarHBondContact O-N 3.48Å
743	L	93	Very high	81.9	Confident	3 Å²	3	80.7 Å²	80.7	2%	0.016	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	104.3	173.5	-62.8	-177.8	0	0	0	109.7	V712 F715 V729 Y730 A732 V741 R745 Y790 L791 V792	V712-L743 HydrophobicContact CG2-CD1 4.33Å; F715-L743 HydrophobicContact CB-CD1 3.88Å; F715-L743 HydrophobicContact CD1-CD2 4.15Å; F715-L743 HydrophobicContact CE1-CD2 4.49Å; F715-L743 HydrophobicContact CG-CD1 4.29Å; F715-L743 HydrophobicContact CG-CD2 4.36Å; V729-L743 WeakPolarHBondContact CA-O 3.37Å; Y730-L743 PolarHBondContact N-O 3.31Å; Y730-L743 PolarHBondContact O-N 2.91Å; A732-L743 HydrophobicContact CB-CD1 3.46Å; A732-L743 VanDerWaalsContact CB-CD1 3.46Å; A732-L743 HydrophobicContact CB-CG 3.67Å; V741-L743 HydrophobicContact CG2-CD2 4.27Å; V741-L743 HydrophobicContact CG2-CG 4.49Å; L743-R745 PolarHBondContact O-N 3Å; L743-Y790 HydrophobicContact CB-CD1 4.02Å; L743-L791 WeakPolarHBondContact CA-O 3.07Å; L743-V792 HydrophobicContact CD2-CB 4.2Å; L743-V792 HydrophobicContact CD2-CG1 4.22Å; L743-V792 HydrophobicContact CD2-CG2 3.67Å
744	K	89.9	Confident	80.4	Confident	12 Å²	12	78.7 Å²	78.7	5%	0.052	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	100.9	170.4	-179.7	169.8	175.4	-178.7	0	108.6	V729 L746 E762 Y790 L791 M793 D857	V729-K744 HydrophobicContact CG2-CB 4.24Å; V729-K744 HydrophobicContact CG2-CD 4.49Å; V729-K744 HydrophobicContact CG2-CG 4.18Å; K744-L746 PolarHBondContact O-N 2.69Å; K744-E762 WeakPolarHBondContact CE-OE2 3.29Å; K744-E762 IonicContact NZ-OE1 2.72Å; K744-E762 PolarHBondContact NZ-OE1 3.31Å; K744-E762 IonicContact NZ-OE2 3.67Å; K744-E762 PolarHBondContact NZ-OE2 2.92Å; K744-Y790 WeakPolarHBondContact O-CA 3.33Å; K744-L791 HydrophobicContact CB-CB 4.41Å; K744-L791 PolarHBondContact N-O 2.93Å; K744-L791 PolarHBondContact O-N 3.48Å; K744-M793 HydrophobicContact CB-CE 3.61Å; K744-M793 HydrophobicContact CB-SD 4.29Å; K744-M793 HydrophobicContact CD-CE 4.48Å; K744-D857 IonicContact NZ-OD1 2.76Å; K744-D857 PolarHBondContact NZ-OD1 3.25Å
745	R	88.7	Confident	79	Confident	87 Å²	87	79.9 Å²	79.9	33%	0.328	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	121	170.9	-171	-178	172.7	-161.9	-5.1	108.7	G727 V728 Y730 L743 D787 Y790	G727-R745 CarbonylContact C-O 3.27Å; G727-R745 WeakPolarHBondContact CA-O 3.48Å; V728-R745 PolarHBondContact N-O 3.06Å; V728-R745 PolarHBondContact O-N 3.22Å; Y730-R745 HydrophobicContact CE2-CB 4.12Å; L743-R745 PolarHBondContact O-N 3Å; R745-D787 VanDerWaalsContact CZ-O 3.32Å; R745-D787 PolarHBondContact NE-O 3.26Å; R745-D787 PolarHBondContact NH2-O 3.46Å; R745-Y790 HydrophobicContact CB-CD1 3.52Å; R745-Y790 HydrophobicContact CB-CE1 3.42Å; R745-Y790 VanDerWaalsContact CB-CE1 3.42Å; R745-Y790 HydrophobicContact CB-CG 4.29Å; R745-Y790 HydrophobicContact CG-CD1 3.97Å; R745-Y790 HydrophobicContact CG-CE1 3.64Å; R745-Y790 HydrophobicContact CG-CE2 4.19Å; R745-Y790 HydrophobicContact CG-CG 4.42Å
746	L	81.4	Confident	77.6	Confident	2 Å²	2	74.1 Å²	74.1	1%	0.01	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.5	175.6	-59.4	173.6	0	0	0	109.7	K744 M748 F755 I763 I789 L791	K744-L746 PolarHBondContact O-N 2.69Å; L746-M748 PolarHBondContact O-N 3.48Å; L746-F755 HydrophobicContact CD1-CE2 4.3Å; L746-F755 HydrophobicContact CD1-CZ 3.7Å; L746-I763 HydrophobicContact CD1-CD1 4.32Å; L746-I789 HydrophobicContact CD1-CB 4.44Å; L746-I789 HydrophobicContact CD1-CG2 4Å; L746-I789 PolarHBondContact N-O 3.23Å; L746-L791 HydrophobicContact CD1-CD2 4.13Å; L746-L791 HydrophobicContact CD1-CG 4.39Å; L746-L791 HydrophobicContact CD2-CD1 4.08Å; L746-L791 HydrophobicContact CD2-CG 4.04Å; L746-L791 HydrophobicContact CG-CG 4.33Å
747	K	72.2	Confident	76.5	Confident	73 Å²	73	71.1 Å²	71.1	32%	0.317	34%	0.34	S	S	.	.			trans	-77.5	101.2	170	-72.8	177.3	-161.2	165	0	108.2	G724 T725 Y726 E749	G724-K747 PolarHBondContact O-NZ 2.88Å; T725-K747 WeakPolarHBondContact O-CD 3.3Å; T725-K747 WeakPolarHBondContact O-CE 3.32Å; T725-K747 PolarHBondContact O-NZ 3.15Å; Y726-K747 PolarHBondContact O-N 3.12Å; K747-E749 PolarHBondContact O-N 3.01Å
748	M	67.2	Low	75.2	Confident	40 Å²	40	69.1 Å²	69.1	20%	0.197	33%	0.328	C	S	.	.			trans	-69.4	98	161.4	-54	-60.8	-82.1	0	0	107.2	L746 F755 P756 M786 I789	L746-M748 PolarHBondContact O-N 3.48Å; M748-F755 HydrophobicContact CE-CB 4.15Å; M748-F755 HydrophobicContact CE-CD2 3.69Å; M748-F755 HydrophobicContact CE-CE2 4.46Å; M748-F755 HydrophobicContact CE-CG 4.1Å; M748-F755 HydrophobicContact SD-CD2 4.04Å; M748-F755 HydrophobicContact SD-CE2 4.27Å; M748-P756 WeakPolarHBondContact SD-CD 3.33Å; M748-P756 HydrophobicContact SD-CG 4.23Å; M748-M786 WeakPolarHBondContact CG-O 3.33Å; M748-I789 HydrophobicContact CE-CD1 4.3Å; M748-I789 HydrophobicContact SD-CD1 4.47Å
749	E	62	Low	74.1	Confident	130 Å²	130	64.2 Å²	64.2	61%	0.607	30%	0.302	S	S	*	.			trans	-65.6	158	165.5	-64.9	-160.2	-174.4	0	0	109.3	K747 E751	K747-E749 PolarHBondContact O-N 3.01Å; E749-E751 HydrophobicContact CB-CG 4.18Å; E749-E751 PolarHBondContact O-N 3.16Å
750	K	56.4	Low	73.1	Confident	216 Å²	216	63.6 Å²	63.6	94%	0.939	30%	0.301	S	S	*	.			trans	-79.9	44.8	177.1	-67.3	-178	-179.7	173.6	0	111.4
751	E	53.4	Low	71.9	Confident	81 Å²	81	65.3 Å²	65.3	38%	0.379	31%	0.305	S	S	.	.			trans	-58.4	145.2	168.6	-69.5	-179.9	163.7	0	0	108.5	E749 D753 P756	E749-E751 HydrophobicContact CB-CG 4.18Å; E749-E751 PolarHBondContact O-N 3.16Å; E751-D753 PolarHBondContact O-N 2.9Å; E751-P756 WeakPolarHBondContact OE2-CA 3.43Å
752	R	54.7	Low	70.7	Confident	237 Å²	237	65.5 Å²	65.5	89%	0.894	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-10.1	-179.3	-69	-177.7	176.5	174.7	4	112.4
753	D	57.7	Low	69.8	Low	149 Å²	149	66.1 Å²	66.1	80%	0.797	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	13.1	-159.4	-48.3	-59.5	0	0	0	112	E751	E751-D753 PolarHBondContact O-N 2.9Å
754	G	65	Low	69	Low	30 Å²	30	70.1 Å²	70.1	31%	0.309	33%	0.33	S	S	.	.	S	Bend	trans	103.3	-119.7	164.8	0	0	0	0	0	114.3
755	F	66.5	Low	68.5	Low	33 Å²	33	70 Å²	70	15%	0.145	33%	0.329	C	S	.	.	S	Bend	trans	-85.3	131.2	-178.4	-175.3	-73.9	0	0	0	109.5	M260 L746 M748 I757 L760 I763 I789	M260-F755 HydrophobicContact CE-CD2 4.27Å; M260-F755 HydrophobicContact CE-CE2 4.02Å; M260-F755 HydrophobicContact SD-CD2 4.05Å; M260-F755 HydrophobicContact SD-CE2 4.35Å; L746-F755 HydrophobicContact CD1-CE2 4.3Å; L746-F755 HydrophobicContact CD1-CZ 3.7Å; M748-F755 HydrophobicContact CE-CB 4.15Å; M748-F755 HydrophobicContact CE-CD2 3.69Å; M748-F755 HydrophobicContact CE-CE2 4.46Å; M748-F755 HydrophobicContact CE-CG 4.1Å; M748-F755 HydrophobicContact SD-CD2 4.04Å; M748-F755 HydrophobicContact SD-CE2 4.27Å; F755-I757 PolarHBondContact O-N 3.07Å; F755-L760 HydrophobicContact CD1-CD1 4.26Å; F755-L760 HydrophobicContact CD1-CD2 3.85Å; F755-L760 HydrophobicContact CD1-CG 3.58Å; F755-L760 HydrophobicContact CE1-CD2 3.71Å; F755-L760 HydrophobicContact CE1-CG 3.69Å; F755-L760 HydrophobicContact CZ-CD2 4.5Å; F755-I763 HydrophobicContact CE1-CD1 4.35Å; F755-I763 HydrophobicContact CZ-CD1 3.95Å; F755-I789 HydrophobicContact CD2-CD1 3.7Å; F755-I789 HydrophobicContact CE2-CB 4.4Å; F755-I789 HydrophobicContact CE2-CD1 3.5Å; F755-I789 HydrophobicContact CE2-CG2 4.13Å
756	P	65.9	Low	67.9	Low	2 Å²	2	66.1 Å²	66.1	1%	0.013	32%	0.315	C	S	.	.			trans	-58.4	125.1	-172.6	-24.7	32.8	0	0	0	113	M748 E751 T758 S759 L760	M748-P756 WeakPolarHBondContact SD-CD 3.33Å; M748-P756 HydrophobicContact SD-CG 4.23Å; E751-P756 WeakPolarHBondContact OE2-CA 3.43Å; P756-T758 PolarHBondContact O-N 2.89Å; P756-T758 VanDerWaalsContact O-N 3.15Å; P756-S759 WeakPolarHBondContact O-CA 3.42Å; P756-S759 WeakPolarHBondContact O-CB 3.33Å; P756-S759 PolarHBondContact O-N 3.31Å; P756-L760 PolarHBondContact O-N 3.47Å; P756-L760 VanDerWaalsContact O-N 3.12Å
757	I	68.8	Low	67.7	Low	76 Å²	76	68.1 Å²	68.1	39%	0.39	33%	0.325	S	S	.	.	H	α-helix	trans	-58.7	-30	178.3	-168.9	169.9	0	0	0	112	F755 S759 L760 R761	F755-I757 PolarHBondContact O-N 3.07Å; I757-S759 VanDerWaalsContact C-N 3.33Å; I757-S759 PolarHBondContact O-N 3.47Å; I757-L760 PolarHBondContact O-N 3.17Å; I757-R761 WeakPolarHBondContact O-CB 3.3Å; I757-R761 PolarHBondContact O-N 3.46Å
758	T	65.9	Low	68	Low	50 Å²	50	69.9 Å²	69.9	31%	0.307	33%	0.333	S	S	.	.	H	α-helix	trans	-61.5	-38.8	172.4	52.9	0	0	0	0	112.5	P756 E762	P756-T758 PolarHBondContact O-N 2.89Å; P756-T758 VanDerWaalsContact O-N 3.15Å; T758-E762 PolarHBondContact O-N 2.89Å
759	S	69.3	Low	68.7	Low	2 Å²	2	68 Å²	68	1%	0.014	32%	0.324	C	S	.	.	H	α-helix	trans	-74.3	-38	176.9	-68.1	0	0	0	0	112	P756 I757 R761 E762 I763	P756-S759 WeakPolarHBondContact O-CA 3.42Å; P756-S759 WeakPolarHBondContact O-CB 3.33Å; P756-S759 PolarHBondContact O-N 3.31Å; I757-S759 VanDerWaalsContact C-N 3.33Å; I757-S759 PolarHBondContact O-N 3.47Å; S759-R761 VanDerWaalsContact C-N 3.32Å; S759-E762 PolarHBondContact O-N 2.78Å; S759-I763 WeakPolarHBondContact O-CD1 3.49Å; S759-I763 VanDerWaalsContact O-CG1 3.29Å; S759-I763 WeakPolarHBondContact O-CG1 3.18Å; S759-I763 PolarHBondContact O-N 3.41Å
760	L	72.3	Confident	69.9	Low	68 Å²	68	65 Å²	65	36%	0.356	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-42.3	172.5	-72.5	173.7	0	0	0	110.8	F755 P756 I757 I763 N764	F755-L760 HydrophobicContact CD1-CD1 4.26Å; F755-L760 HydrophobicContact CD1-CD2 3.85Å; F755-L760 HydrophobicContact CD1-CG 3.58Å; F755-L760 HydrophobicContact CE1-CD2 3.71Å; F755-L760 HydrophobicContact CE1-CG 3.69Å; F755-L760 HydrophobicContact CZ-CD2 4.5Å; P756-L760 PolarHBondContact O-N 3.47Å; P756-L760 VanDerWaalsContact O-N 3.12Å; I757-L760 PolarHBondContact O-N 3.17Å; L760-I763 PolarHBondContact O-N 2.86Å; L760-N764 WeakPolarHBondContact O-CB 3.18Å; L760-N764 VanDerWaalsContact O-CG 3.24Å; L760-N764 PolarHBondContact O-N 3.12Å; L760-N764 PolarHBondContact O-ND2 2.99Å
761	R	70.2	Confident	71.5	Confident	72 Å²	72	57 Å²	57	27%	0.272	28%	0.275	S	S	.	.	H	α-helix	trans	-59.4	-49	175	-173	178.2	-64.7	141	1.8	111.1	I757 S759 I763 N764 M765	I757-R761 WeakPolarHBondContact O-CB 3.3Å; I757-R761 PolarHBondContact O-N 3.46Å; S759-R761 VanDerWaalsContact C-N 3.32Å; R761-I763 PolarHBondContact O-N 3.29Å; R761-N764 PolarHBondContact O-N 3.42Å; R761-M765 HydrophobicContact CG-CG 4.34Å; R761-M765 VanDerWaalsContact O-CG 3.28Å; R761-M765 WeakPolarHBondContact O-CG 3.49Å; R761-M765 PolarHBondContact O-N 3.32Å
762	E	70.5	Confident	73.5	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.019	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-45.1	178	-177.3	171.2	-176.6	0	0	111.9	K744 T758 S759 M765 L766 F858	K744-E762 WeakPolarHBondContact CE-OE2 3.29Å; K744-E762 IonicContact NZ-OE1 2.72Å; K744-E762 PolarHBondContact NZ-OE1 3.31Å; K744-E762 IonicContact NZ-OE2 3.67Å; K744-E762 PolarHBondContact NZ-OE2 2.92Å; T758-E762 PolarHBondContact O-N 2.89Å; S759-E762 PolarHBondContact O-N 2.78Å; E762-M765 PolarHBondContact O-N 2.95Å; E762-L766 HydrophobicContact CG-CD1 3.63Å; E762-L766 HydrophobicContact CG-CG 4.36Å; E762-L766 WeakPolarHBondContact O-CB 3.31Å; E762-L766 WeakPolarHBondContact O-CG 3.48Å; E762-L766 PolarHBondContact O-N 3.31Å; E762-F858 HydrophobicContact CG-CB 4.42Å
763	I	74.8	Confident	75.5	Confident	22 Å²	22	47.2 Å²	47.2	11%	0.113	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-50.8	174.8	-67.6	163.7	0	0	0	110.7	L746 F755 S759 L760 R761 M765 L766 M767 V780 L791	L746-I763 HydrophobicContact CD1-CD1 4.32Å; F755-I763 HydrophobicContact CE1-CD1 4.35Å; F755-I763 HydrophobicContact CZ-CD1 3.95Å; S759-I763 WeakPolarHBondContact O-CD1 3.49Å; S759-I763 VanDerWaalsContact O-CG1 3.29Å; S759-I763 WeakPolarHBondContact O-CG1 3.18Å; S759-I763 PolarHBondContact O-N 3.41Å; L760-I763 PolarHBondContact O-N 2.86Å; R761-I763 PolarHBondContact O-N 3.29Å; I763-M765 PolarHBondContact O-N 2.91Å; I763-L766 PolarHBondContact O-N 3.39Å; I763-M767 HydrophobicContact CG2-CG 4.22Å; I763-M767 WeakPolarHBondContact O-CB 3.38Å; I763-M767 VanDerWaalsContact O-CG 3.23Å; I763-M767 WeakPolarHBondContact O-CG 3.47Å; I763-M767 PolarHBondContact O-N 3.17Å; I763-V780 HydrophobicContact CD1-CG2 4.45Å; I763-L791 HydrophobicContact CD1-CD2 3.92Å; I763-L791 HydrophobicContact CG1-CD1 4.26Å; I763-L791 HydrophobicContact CG1-CD2 3.59Å
764	N	77.1	Confident	77.3	Confident	87 Å²	87	40.1 Å²	40.1	47%	0.465	20%	0.202	S	C	.	.	H	α-helix	trans	-63.1	-39.4	-178.1	-73.5	-15.1	0	0	0	112.4	L760 R761 K768	L760-N764 WeakPolarHBondContact O-CB 3.18Å; L760-N764 VanDerWaalsContact O-CG 3.24Å; L760-N764 PolarHBondContact O-N 3.12Å; L760-N764 PolarHBondContact O-ND2 2.99Å; R761-N764 PolarHBondContact O-N 3.42Å; N764-K768 WeakPolarHBondContact O-CG 3.34Å; N764-K768 PolarHBondContact O-N 3.06Å
765	M	78.1	Confident	78.5	Confident	9 Å²	9	39.2 Å²	39.2	4%	0.044	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-48.2	175.5	-65.3	-49.8	88.5	0	0	111.1	R761 E762 I763 M767 K768 A769 I835 F858 A861 E863	R761-M765 HydrophobicContact CG-CG 4.34Å; R761-M765 VanDerWaalsContact O-CG 3.28Å; R761-M765 WeakPolarHBondContact O-CG 3.49Å; R761-M765 PolarHBondContact O-N 3.32Å; E762-M765 PolarHBondContact O-N 2.95Å; I763-M765 PolarHBondContact O-N 2.91Å; M765-M767 VanDerWaalsContact C-N 3.35Å; M765-M767 PolarHBondContact O-N 2.96Å; M765-K768 PolarHBondContact O-N 2.86Å; M765-K768 VanDerWaalsContact O-N 3.17Å; M765-A769 VanDerWaalsContact O-CB 3.23Å; M765-A769 WeakPolarHBondContact O-CB 3.49Å; M765-A769 PolarHBondContact O-N 2.84Å; M765-I835 HydrophobicContact SD-CD1 4.5Å; M765-I835 HydrophobicContact SD-CG1 4.31Å; M765-I835 HydrophobicContact SD-CG2 4.36Å; M765-F858 HydrophobicContact CB-CB 4.48Å; M765-A861 HydrophobicContact CG-CB 4.08Å; M765-E863 HydrophobicContact CE-CG 3.94Å; M765-E863 WeakPolarHBondContact CE-OE1 3.39Å; M765-E863 HydrophobicContact SD-CG 3.89Å
766	L	75.5	Confident	79.5	Confident	5 Å²	5	39 Å²	39	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-65.2	-36.8	-178.5	-73.9	168.1	0	0	0	112.5	E762 I763 K768 A769 V777 L791 F858	E762-L766 HydrophobicContact CG-CD1 3.63Å; E762-L766 HydrophobicContact CG-CG 4.36Å; E762-L766 WeakPolarHBondContact O-CB 3.31Å; E762-L766 WeakPolarHBondContact O-CG 3.48Å; E762-L766 PolarHBondContact O-N 3.31Å; I763-L766 PolarHBondContact O-N 3.39Å; L766-K768 VanDerWaalsContact C-N 3.32Å; L766-A769 PolarHBondContact O-N 3.12Å; L766-V777 HydrophobicContact CB-CB 4.45Å; L766-V777 HydrophobicContact CB-CG2 3.65Å; L766-V777 HydrophobicContact CD1-CG2 3.49Å; L766-V777 VanDerWaalsContact CD1-CG2 3.49Å; L766-V777 HydrophobicContact CG-CG2 4.09Å; L766-L791 HydrophobicContact CD1-CD1 4.37Å; L766-F858 HydrophobicContact CD2-CB 4.17Å; L766-F858 HydrophobicContact CD2-CD2 3.36Å; L766-F858 HydrophobicContact CD2-CE2 3.91Å; L766-F858 HydrophobicContact CD2-CG 3.83Å; L766-F858 HydrophobicContact CG-CB 4.16Å; L766-F858 HydrophobicContact CG-CD2 4.27Å; L766-F858 HydrophobicContact CG-CG 4.3Å
767	M	77.9	Confident	80.5	Confident	44 Å²	44	39.2 Å²	39.2	22%	0.217	19%	0.193	C	C	.	.	H	α-helix	trans	-68.4	-29.9	174.8	-68.8	-64.2	-71.3	0	0	112.7	Y702 P704 I763 M765	Y702-M767 HydrophobicContact CD1-CE 4.22Å; Y702-M767 WeakPolarHBondContact O-CE 3.46Å; P704-M767 HydrophobicContact CG-CE 4.18Å; I763-M767 HydrophobicContact CG2-CG 4.22Å; I763-M767 WeakPolarHBondContact O-CB 3.38Å; I763-M767 VanDerWaalsContact O-CG 3.23Å; I763-M767 WeakPolarHBondContact O-CG 3.47Å; I763-M767 PolarHBondContact O-N 3.17Å; M765-M767 VanDerWaalsContact C-N 3.35Å; M765-M767 PolarHBondContact O-N 2.96Å
768	K	79.1	Confident	81.3	Confident	111 Å²	111	38 Å²	38	48%	0.483	18%	0.184	S	C	.	.	H	α-helix	trans	-80.9	-25.6	173.8	-72.6	178.1	-179.1	-176.4	0	113.5	N764 M765 L766 Q770 I835 E863	N764-K768 WeakPolarHBondContact O-CG 3.34Å; N764-K768 PolarHBondContact O-N 3.06Å; M765-K768 PolarHBondContact O-N 2.86Å; M765-K768 VanDerWaalsContact O-N 3.17Å; L766-K768 VanDerWaalsContact C-N 3.32Å; K768-Q770 PolarHBondContact O-N 2.61Å; K768-I835 HydrophobicContact CB-CD1 4.16Å; K768-E863 VanDerWaalsContact NZ-CD 3.34Å; K768-E863 IonicContact NZ-OE1 2.72Å; K768-E863 PolarHBondContact NZ-OE1 3.43Å; K768-E863 IonicContact NZ-OE2 3.57Å; K768-E863 PolarHBondContact NZ-OE2 3.03Å
769	A	82.6	Confident	82.3	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.008	17%	0.174	C	C	.	.			trans	-98.2	35.4	-171.6	0	0	0	0	0	114.4	M765 L766 H771 I774 L830 I835	M765-A769 VanDerWaalsContact O-CB 3.23Å; M765-A769 WeakPolarHBondContact O-CB 3.49Å; M765-A769 PolarHBondContact O-N 2.84Å; L766-A769 PolarHBondContact O-N 3.12Å; A769-H771 PolarHBondContact O-N 3.36Å; A769-H771 VanDerWaalsContact O-N 3.12Å; A769-I774 HydrophobicContact CB-CD1 4.22Å; A769-I774 HydrophobicContact CB-CG2 4.4Å; A769-I774 WeakPolarHBondContact O-CD1 3.32Å; A769-I774 WeakPolarHBondContact O-CG2 3.43Å; A769-L830 HydrophobicContact CB-CD2 3.61Å; A769-I835 HydrophobicContact CB-CD1 4.08Å
770	Q	85.3	Confident	83.1	Confident	67 Å²	67	37.1 Å²	37.1	31%	0.313	18%	0.176	S	C	.	.			trans	-70.5	108.7	-177.3	-65.3	-171.6	23.1	0	0	112.1	F701 K768 H829	F701-Q770 VanDerWaalsContact CZ-NE2 3.31Å; K768-Q770 PolarHBondContact O-N 2.61Å; Q770-H829 PolarHBondContact O-CE1 3.47Å; Q770-H829 PolarHBondContact O-NE2 2.85Å
771	H	92	Very high	84	Confident	47 Å²	47	33.9 Å²	33.9	22%	0.218	16%	0.16	C	C	.	.			trans	-151.6	153.6	-178.9	-176.5	-104	0	0	0	111.5	A769 N773 I774 H829	A769-H771 PolarHBondContact O-N 3.36Å; A769-H771 VanDerWaalsContact O-N 3.12Å; H771-N773 VanDerWaalsContact C-N 3.29Å; H771-N773 PolarHBondContact CE1-OD1 3.14Å; H771-N773 PolarHBondContact ND1-N 3.42Å; H771-N773 PolarHBondContact O-N 2.93Å; H771-I774 HydrophobicContact CB-CB 4.15Å; H771-I774 HydrophobicContact CB-CD1 3.79Å; H771-I774 HydrophobicContact CB-CG1 3.92Å; H771-I774 PolarHBondContact O-N 3.05Å; H771-I774 VanDerWaalsContact O-N 3.07Å; H771-H829 HydrophobicContact CB-CB 4.46Å; H771-H829 AromaticContact CD2-CG 3.86Å; H771-H829 AromaticContact CD2-ND1 3.78Å; H771-H829 AromaticContact CG-CG 3.9Å
772	E	94.7	Very high	84.8	Confident	112 Å²	112	32.4 Å²	32.4	52%	0.523	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-46.9	178.3	-178.2	-178.2	-170.6	0	0	111.8	I774 I852 K854	E772-I774 VanDerWaalsContact C-N 3.28Å; E772-I774 PolarHBondContact O-N 3.13Å; E772-I852 HydrophobicContact CG-CG2 4.37Å; E772-K854 WeakPolarHBondContact O-CG 3.39Å; E772-K854 PolarHBondContact O-NZ 3.03Å
773	N	96.7	Very high	85.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	22.5	-179.4	-56	120.7	0	0	0	114.5	H771 Q822 A826 L853 K854 V855	H771-N773 VanDerWaalsContact C-N 3.29Å; H771-N773 PolarHBondContact CE1-OD1 3.14Å; H771-N773 PolarHBondContact ND1-N 3.42Å; H771-N773 PolarHBondContact O-N 2.93Å; N773-Q822 WeakPolarHBondContact CB-O 2.99Å; N773-Q822 PolarHBondContact ND2-OE1 2.74Å; N773-Q822 PolarHBondContact OD1-O 3.29Å; N773-A826 HydrophobicContact CB-CB 3.88Å; N773-A826 WeakPolarHBondContact O-CB 3.37Å; N773-L853 WeakPolarHBondContact CA-O 3.36Å; N773-L853 WeakPolarHBondContact CB-O 3.01Å; N773-L853 PolarHBondContact ND2-O 2.95Å; N773-K854 WeakPolarHBondContact O-CA 3.45Å; N773-V855 PolarHBondContact O-N 3.04Å
774	I	94.5	Very high	85.9	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-126.3	147.6	174.2	-61.3	178.5	0	0	0	108.9	A769 H771 E772 T776 A826 L830 K854 F858	A769-I774 HydrophobicContact CB-CD1 4.22Å; A769-I774 HydrophobicContact CB-CG2 4.4Å; A769-I774 WeakPolarHBondContact O-CD1 3.32Å; A769-I774 WeakPolarHBondContact O-CG2 3.43Å; H771-I774 HydrophobicContact CB-CB 4.15Å; H771-I774 HydrophobicContact CB-CD1 3.79Å; H771-I774 HydrophobicContact CB-CG1 3.92Å; H771-I774 PolarHBondContact O-N 3.05Å; H771-I774 VanDerWaalsContact O-N 3.07Å; E772-I774 VanDerWaalsContact C-N 3.28Å; E772-I774 PolarHBondContact O-N 3.13Å; I774-T776 PolarHBondContact O-N 3.2Å; I774-A826 HydrophobicContact CD1-CB 4.46Å; I774-A826 HydrophobicContact CG1-CB 3.94Å; I774-L830 HydrophobicContact CD1-CD1 4.41Å; I774-L830 HydrophobicContact CD1-CD2 3.71Å; I774-L830 HydrophobicContact CD1-CG 3.79Å; I774-K854 PolarHBondContact O-NZ 3.38Å; I774-F858 HydrophobicContact CG2-CE2 3.72Å; I774-F858 HydrophobicContact CG2-CZ 3.67Å
775	V	91.3	Very high	86	Confident	10 Å²	10	34.5 Å²	34.5	6%	0.061	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-67.3	117.9	173.6	174.2	0	0	0	0	109.2	M793 L846 K854 V855	V775-M793 HydrophobicContact CG1-CB 4.1Å; V775-M793 HydrophobicContact CG1-CG 4.44Å; V775-M793 HydrophobicContact CG1-SD 4.06Å; V775-L846 HydrophobicContact CG2-CD1 3.76Å; V775-K854 HydrophobicContact CG2-CB 4.02Å; V775-V855 WeakPolarHBondContact CG2-O 3.28Å; V775-V855 PolarHBondContact N-O 3.4Å
776	T	87.5	Confident	85.6	Confident	29 Å²	29	37 Å²	37	18%	0.178	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-89.4	126.2	-177.7	-44.8	0	0	0	0	110.4	I774 M793 D794	I774-T776 PolarHBondContact O-N 3.2Å; T776-M793 WeakPolarHBondContact O-CA 3.44Å; T776-D794 PolarHBondContact O-N 2.89Å
777	V	85.9	Confident	85.6	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.6	163.5	175.4	0	0	0	0	107.8	L766 L791 M793	L766-V777 HydrophobicContact CB-CB 4.45Å; L766-V777 HydrophobicContact CB-CG2 3.65Å; L766-V777 HydrophobicContact CD1-CG2 3.49Å; L766-V777 VanDerWaalsContact CD1-CG2 3.49Å; L766-V777 HydrophobicContact CG-CG2 4.09Å; V777-L791 HydrophobicContact CG2-CD1 4.42Å; V777-M793 HydrophobicContact CG2-CG 4.15Å
778	R	86.3	Confident	85.8	Confident	51 Å²	51	41.8 Å²	41.8	19%	0.192	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-47.3	176.8	-61.8	-177.9	177.1	-154.7	-0.5	111.3	Y702 E739 V792 D794	Y702-R778 WeakPolarHBondContact CB-O 3.5Å; Y702-R778 VanDerWaalsContact CG-O 3.32Å; E739-R778 IonicContact OE1-CZ 3.03Å; E739-R778 IonicContact OE1-NH1 3.26Å; E739-R778 PolarHBondContact OE1-NH1 3.48Å; E739-R778 IonicContact OE1-NH2 3.43Å; E739-R778 PolarHBondContact OE1-NH2 2.84Å; E739-R778 IonicContact OE2-CZ 2.68Å; E739-R778 IonicContact OE2-NH1 3.07Å; E739-R778 PolarHBondContact OE2-NH1 3.33Å; E739-R778 IonicContact OE2-NH2 3.67Å; R778-V792 HydrophobicContact CB-CB 4.44Å; R778-V792 HydrophobicContact CB-CG1 4.32Å; R778-V792 PolarHBondContact N-O 3.17Å; R778-D794 IonicContact CZ-OD1 2.61Å; R778-D794 IonicContact NE-OD1 3.48Å; R778-D794 PolarHBondContact NE-OD1 3.21Å; R778-D794 IonicContact NH2-OD1 2.66Å; R778-D794 PolarHBondContact NH2-OD1 3.49Å
779	E	86.6	Confident	86.1	Confident	21 Å²	21	36.5 Å²	36.5	10%	0.098	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	167.8	-179.4	58.9	172.1	130.6	0	0	111.7	Y702 R710 V781 V792	Y702-E779 HydrophobicContact CD1-CB 4.13Å; Y702-E779 HydrophobicContact CD2-CB 3.95Å; Y702-E779 HydrophobicContact CE1-CB 4.02Å; Y702-E779 HydrophobicContact CE2-CB 3.87Å; Y702-E779 HydrophobicContact CG-CB 4.08Å; R710-E779 WeakPolarHBondContact CB-OE2 3.1Å; R710-E779 WeakPolarHBondContact CD-OE1 3.41Å; R710-E779 VanDerWaalsContact CD-OE2 3.26Å; R710-E779 WeakPolarHBondContact CD-OE2 3.27Å; R710-E779 WeakPolarHBondContact CG-OE2 3.47Å; R710-E779 IonicContact CZ-OE1 2.71Å; R710-E779 IonicContact NE-OE1 3.35Å; R710-E779 IonicContact NH1-OE1 2.68Å; R710-E779 PolarHBondContact NH1-OE1 3.11Å; E779-V781 HydrophobicContact CG-CG1 3.88Å; E779-V781 VanDerWaalsContact OE2-CG1 3.22Å; E779-V781 WeakPolarHBondContact OE2-CG1 3.39Å; E779-V792 HydrophobicContact CG-CB 3.68Å; E779-V792 HydrophobicContact CG-CG1 4.35Å; E779-V792 HydrophobicContact CG-CG2 3.57Å; E779-V792 PolarHBondContact N-O 3.15Å; E779-V792 PolarHBondContact O-N 3.41Å
780	V	87.1	Confident	86.4	Confident	12 Å²	12	38 Å²	38	7%	0.073	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.4	169.4	-176.5	0	0	0	0	108.4	Y702 C709 I763 I789 L791	Y702-V780 HydrophobicContact CE1-CG2 4.42Å; C709-V780 VanDerWaalsContact CB-O 3.29Å; C709-V780 WeakPolarHBondContact CB-O 3.24Å; C709-V780 PolarHBondContact SG-O 3Å; I763-V780 HydrophobicContact CD1-CG2 4.45Å; V780-I789 HydrophobicContact CG1-CG2 3.67Å; V780-L791 HydrophobicContact CG1-CD2 4.47Å; V780-L791 HydrophobicContact CG2-CD2 3.9Å
781	V	89.7	Confident	86.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143	-179.6	-58.5	0	0	0	0	111.3	R710 V712 F715 E779 Y790 V792	R710-V781 HydrophobicContact CB-CG1 3.96Å; R710-V781 WeakPolarHBondContact O-CA 3.45Å; R710-V781 VanDerWaalsContact O-CB 3.31Å; R710-V781 WeakPolarHBondContact O-CB 3.45Å; V712-V781 HydrophobicContact CB-CG2 4.21Å; V712-V781 HydrophobicContact CG2-CG2 4.19Å; F715-V781 HydrophobicContact CE2-CB 4.38Å; F715-V781 HydrophobicContact CE2-CG1 3.8Å; F715-V781 HydrophobicContact CE2-CG2 4.31Å; F715-V781 HydrophobicContact CZ-CG1 4.19Å; E779-V781 HydrophobicContact CG-CG1 3.88Å; E779-V781 VanDerWaalsContact OE2-CG1 3.22Å; E779-V781 WeakPolarHBondContact OE2-CG1 3.39Å; V781-Y790 PolarHBondContact N-O 3.46Å; V781-Y790 PolarHBondContact O-N 3.16Å; V781-V792 HydrophobicContact CB-CG2 4.21Å; V781-V792 HydrophobicContact CG1-CG2 3.52Å; V781-V792 HydrophobicContact CG2-CG2 3.64Å
782	V	88.1	Confident	86.5	Confident	41 Å²	41	32.6 Å²	32.6	25%	0.248	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.4	-171	-174.4	0	0	0	0	109	C709 R710 S711 V712 K788 I789	C709-V782 HydrophobicContact CB-CG2 3.86Å; R710-V782 PolarHBondContact O-N 3.11Å; R710-V782 VanDerWaalsContact O-N 3.09Å; S711-V782 WeakPolarHBondContact CA-O 3.43Å; V712-V782 PolarHBondContact N-O 3.43Å; V782-K788 CarbonylContact C-O 3.38Å; V782-I789 HydrophobicContact CG1-CG1 4.22Å; V782-I789 HydrophobicContact CG2-CG1 4.29Å; V782-I789 HydrophobicContact CG2-CG2 4.49Å
783	G	86.2	Confident	86.4	Confident	14 Å²	14	28 Å²	28	14%	0.144	15%	0.152	C	C	.	.			trans	-96.5	-167.4	174.5	0	0	0	0	0	113.2	N785 K788	G783-N785 PolarHBondContact O-N 3.38Å; G783-K788 PolarHBondContact N-O 3.01Å
784	S	81.9	Confident	86.1	Confident	78 Å²	78	28.7 Å²	28.7	55%	0.545	16%	0.155	S	C	.	.	S	Bend	trans	-61.8	-2.7	-179	19.9	0	0	0	0	116.3	K788	S784-K788 PolarHBondContact OG-NZ 2.85Å
785	N	78.4	Confident	86	Confident	64 Å²	64	30 Å²	30	34%	0.342	16%	0.16	S	C	.	.	S	Bend	trans	-159.7	161.3	175.7	64.1	-49	0	0	0	111.2	G783 D787 K788	G783-N785 PolarHBondContact O-N 3.38Å; N785-D787 WeakPolarHBondContact ND2-CB 3.35Å; N785-D787 PolarHBondContact ND2-OD2 2.69Å; N785-D787 PolarHBondContact O-N 3.07Å; N785-D787 VanDerWaalsContact O-N 3.1Å; N785-K788 WeakPolarHBondContact O-CB 3.49Å; N785-K788 PolarHBondContact O-N 2.97Å; N785-K788 WeakPolarHBondContact OD1-CD 3.41Å; N785-K788 WeakPolarHBondContact OD1-CE 3.23Å; N785-K788 VanDerWaalsContact OD1-CG 3.29Å; N785-K788 WeakPolarHBondContact OD1-CG 3.28Å
786	M	71.1	Confident	86.1	Confident	61 Å²	61	30.3 Å²	30.3	30%	0.3	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.6	-178.4	-66	-60.9	-151.7	0	0	114.4	M260 S263 Q264 M748 K788 I789	M260-M786 WeakPolarHBondContact O-CE 3.46Å; S263-M786 WeakPolarHBondContact OG-CE 3.4Å; Q264-M786 HydrophobicContact CG-CE 4.26Å; M748-M786 WeakPolarHBondContact CG-O 3.33Å; M786-K788 PolarHBondContact O-N 3.27Å; M786-I789 WeakPolarHBondContact O-CG1 3.39Å
787	D	73.8	Confident	86.2	Confident	84 Å²	84	30.2 Å²	30.2	45%	0.449	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-0.4	176.3	-46.8	-45.1	0	0	0	114	R745 N785	R745-D787 VanDerWaalsContact CZ-O 3.32Å; R745-D787 PolarHBondContact NE-O 3.26Å; R745-D787 PolarHBondContact NH2-O 3.46Å; N785-D787 WeakPolarHBondContact ND2-CB 3.35Å; N785-D787 PolarHBondContact ND2-OD2 2.69Å; N785-D787 PolarHBondContact O-N 3.07Å; N785-D787 VanDerWaalsContact O-N 3.1Å
788	K	82.3	Confident	86.4	Confident	66 Å²	66	30.3 Å²	30.3	29%	0.287	16%	0.159	S	C	.	.			trans	-122.6	51.4	-173.7	-72.3	-176.1	-165.7	169	0	111.2	V782 G783 S784 N785 M786 Y790	V782-K788 CarbonylContact C-O 3.38Å; G783-K788 PolarHBondContact N-O 3.01Å; S784-K788 PolarHBondContact OG-NZ 2.85Å; N785-K788 WeakPolarHBondContact O-CB 3.49Å; N785-K788 PolarHBondContact O-N 2.97Å; N785-K788 WeakPolarHBondContact OD1-CD 3.41Å; N785-K788 WeakPolarHBondContact OD1-CE 3.23Å; N785-K788 VanDerWaalsContact OD1-CG 3.29Å; N785-K788 WeakPolarHBondContact OD1-CG 3.28Å; M786-K788 PolarHBondContact O-N 3.27Å; K788-Y790 HydrophobicContact CB-CE2 3.85Å; K788-Y790 HydrophobicContact CG-CE2 4.43Å; K788-Y790 VanDerWaalsContact O-CD2 3.31Å; K788-Y790 WeakPolarHBondContact O-CD2 3.46Å; K788-Y790 WeakPolarHBondContact O-CE2 3.37Å
789	I	85.7	Confident	86.7	Confident	1 Å²	1	30 Å²	30	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.1	171.2	-55.5	170.1	0	0	0	108.2	M260 L746 M748 F755 V780 V782 M786	M260-I789 HydrophobicContact CE-CD1 4.2Å; L746-I789 HydrophobicContact CD1-CB 4.44Å; L746-I789 HydrophobicContact CD1-CG2 4Å; L746-I789 PolarHBondContact N-O 3.23Å; M748-I789 HydrophobicContact CE-CD1 4.3Å; M748-I789 HydrophobicContact SD-CD1 4.47Å; F755-I789 HydrophobicContact CD2-CD1 3.7Å; F755-I789 HydrophobicContact CE2-CB 4.4Å; F755-I789 HydrophobicContact CE2-CD1 3.5Å; F755-I789 HydrophobicContact CE2-CG2 4.13Å; V780-I789 HydrophobicContact CG1-CG2 3.67Å; V782-I789 HydrophobicContact CG1-CG1 4.22Å; V782-I789 HydrophobicContact CG2-CG1 4.29Å; V782-I789 HydrophobicContact CG2-CG2 4.49Å; M786-I789 WeakPolarHBondContact O-CG1 3.39Å
790	Y	89.2	Confident	87	Confident	32 Å²	32	29 Å²	29	13%	0.125	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.2	-174.7	-60.3	-111.1	0	0	0	109.9	V712 Y730 L743 K744 R745 V781 K788	V712-Y790 HydrophobicContact CB-CD2 4.12Å; V712-Y790 HydrophobicContact CB-CE2 4.21Å; V712-Y790 HydrophobicContact CG1-CE2 4.21Å; V712-Y790 HydrophobicContact CG2-CD1 4.4Å; V712-Y790 HydrophobicContact CG2-CD2 3.63Å; V712-Y790 HydrophobicContact CG2-CE1 4.41Å; V712-Y790 HydrophobicContact CG2-CE2 3.71Å; V712-Y790 HydrophobicContact CG2-CG 4.02Å; Y730-Y790 HydrophobicContact CD2-CE1 4.42Å; Y730-Y790 HydrophobicContact CE2-CE1 4.43Å; L743-Y790 HydrophobicContact CB-CD1 4.02Å; K744-Y790 WeakPolarHBondContact O-CA 3.33Å; R745-Y790 HydrophobicContact CB-CD1 3.52Å; R745-Y790 HydrophobicContact CB-CE1 3.42Å; R745-Y790 VanDerWaalsContact CB-CE1 3.42Å; R745-Y790 HydrophobicContact CB-CG 4.29Å; R745-Y790 HydrophobicContact CG-CD1 3.97Å; R745-Y790 HydrophobicContact CG-CE1 3.64Å; R745-Y790 HydrophobicContact CG-CE2 4.19Å; R745-Y790 HydrophobicContact CG-CG 4.42Å; V781-Y790 PolarHBondContact N-O 3.46Å; V781-Y790 PolarHBondContact O-N 3.16Å; K788-Y790 HydrophobicContact CB-CE2 3.85Å; K788-Y790 HydrophobicContact CG-CE2 4.43Å; K788-Y790 VanDerWaalsContact O-CD2 3.31Å; K788-Y790 WeakPolarHBondContact O-CD2 3.46Å; K788-Y790 WeakPolarHBondContact O-CE2 3.37Å
791	L	88.7	Confident	87.3	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.4	164.9	-50.8	-175.3	0	0	0	108.2	L743 K744 L746 I763 L766 V777 V780 M793	L743-L791 WeakPolarHBondContact CA-O 3.07Å; K744-L791 HydrophobicContact CB-CB 4.41Å; K744-L791 PolarHBondContact N-O 2.93Å; K744-L791 PolarHBondContact O-N 3.48Å; L746-L791 HydrophobicContact CD1-CD2 4.13Å; L746-L791 HydrophobicContact CD1-CG 4.39Å; L746-L791 HydrophobicContact CD2-CD1 4.08Å; L746-L791 HydrophobicContact CD2-CG 4.04Å; L746-L791 HydrophobicContact CG-CG 4.33Å; I763-L791 HydrophobicContact CD1-CD2 3.92Å; I763-L791 HydrophobicContact CG1-CD1 4.26Å; I763-L791 HydrophobicContact CG1-CD2 3.59Å; L766-L791 HydrophobicContact CD1-CD1 4.37Å; V777-L791 HydrophobicContact CG2-CD1 4.42Å; V780-L791 HydrophobicContact CG1-CD2 4.47Å; V780-L791 HydrophobicContact CG2-CD2 3.9Å; L791-M793 HydrophobicContact CB-CG 4.23Å; L791-M793 HydrophobicContact CB-SD 4.49Å
792	V	91.2	Very high	87.3	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	122.9	169.1	-171.9	0	0	0	0	107.2	F715 V741 L743 R778 E779 V781	F715-V792 HydrophobicContact CE1-CG1 3.91Å; F715-V792 HydrophobicContact CE1-CG2 4.12Å; F715-V792 HydrophobicContact CE2-CG2 4.36Å; F715-V792 HydrophobicContact CZ-CG1 4.26Å; F715-V792 HydrophobicContact CZ-CG2 3.82Å; V741-V792 HydrophobicContact CB-CG1 3.99Å; V741-V792 HydrophobicContact CG1-CG1 4.13Å; V741-V792 HydrophobicContact CG2-CG1 4.06Å; L743-V792 HydrophobicContact CD2-CB 4.2Å; L743-V792 HydrophobicContact CD2-CG1 4.22Å; L743-V792 HydrophobicContact CD2-CG2 3.67Å; R778-V792 HydrophobicContact CB-CB 4.44Å; R778-V792 HydrophobicContact CB-CG1 4.32Å; R778-V792 PolarHBondContact N-O 3.17Å; E779-V792 HydrophobicContact CG-CB 3.68Å; E779-V792 HydrophobicContact CG-CG1 4.35Å; E779-V792 HydrophobicContact CG-CG2 3.57Å; E779-V792 PolarHBondContact N-O 3.15Å; E779-V792 PolarHBondContact O-N 3.41Å; V781-V792 HydrophobicContact CB-CG2 4.21Å; V781-V792 HydrophobicContact CG1-CG2 3.52Å; V781-V792 HydrophobicContact CG2-CG2 3.64Å
793	M	91.4	Very high	87.5	Confident	16 Å²	16	29.9 Å²	29.9	8%	0.079	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	160.8	-176.2	-55	178.1	-56.3	0	0	110.3	V729 A742 K744 V775 T776 V777 L791 Y795	V729-M793 HydrophobicContact CG1-CE 4.47Å; A742-M793 HydrophobicContact CB-CB 4.32Å; A742-M793 HydrophobicContact CB-CE 4.04Å; A742-M793 PolarHBondContact N-O 2.9Å; A742-M793 PolarHBondContact O-N 3.48Å; K744-M793 HydrophobicContact CB-CE 3.61Å; K744-M793 HydrophobicContact CB-SD 4.29Å; K744-M793 HydrophobicContact CD-CE 4.48Å; V775-M793 HydrophobicContact CG1-CB 4.1Å; V775-M793 HydrophobicContact CG1-CG 4.44Å; V775-M793 HydrophobicContact CG1-SD 4.06Å; T776-M793 WeakPolarHBondContact O-CA 3.44Å; V777-M793 HydrophobicContact CG2-CG 4.15Å; L791-M793 HydrophobicContact CB-CG 4.23Å; L791-M793 HydrophobicContact CB-SD 4.49Å; M793-Y795 PolarHBondContact O-N 3.33Å
794	D	91.3	Very high	87.8	Confident	13 Å²	13	30 Å²	30	7%	0.07	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	127.1	163.7	-76.4	-16.2	0	0	0	110.3	K699 T776 R778 K854	K699-D794 IonicContact NZ-OD1 3.07Å; K699-D794 PolarHBondContact NZ-OD1 3.37Å; K699-D794 IonicContact NZ-OD2 3.85Å; K699-D794 PolarHBondContact NZ-OD2 3.21Å; T776-D794 PolarHBondContact O-N 2.89Å; R778-D794 IonicContact CZ-OD1 2.61Å; R778-D794 IonicContact NE-OD1 3.48Å; R778-D794 PolarHBondContact NE-OD1 3.21Å; R778-D794 IonicContact NH2-OD1 2.66Å; R778-D794 PolarHBondContact NH2-OD1 3.49Å; D794-K854 IonicContact OD2-NZ 3.36Å
795	Y	92.7	Very high	88.1	Confident	28 Å²	28	32.4 Å²	32.4	11%	0.11	16%	0.159	C	C	.	.			trans	-75.4	135.5	167.6	175.5	-109.5	0	0	0	109.3	I721 R731 I740 M793 E797 S1020 E1021	I721-Y795 HydrophobicContact CD1-CD2 3.92Å; I721-Y795 HydrophobicContact CD1-CE2 3.71Å; R731-Y795 HydrophobicContact CB-CE2 4.29Å; R731-Y795 HydrophobicContact CG-CD2 4.07Å; R731-Y795 HydrophobicContact CG-CE2 3.75Å; R731-Y795 PolarHBondContact NE-OH 3Å; I740-Y795 HydrophobicContact CB-CD1 4.3Å; I740-Y795 HydrophobicContact CG2-CD1 3.5Å; I740-Y795 VanDerWaalsContact CG2-CD1 3.5Å; I740-Y795 HydrophobicContact CG2-CD2 4.3Å; I740-Y795 HydrophobicContact CG2-CE1 3.98Å; I740-Y795 HydrophobicContact CG2-CG 3.67Å; M793-Y795 PolarHBondContact O-N 3.33Å; Y795-E797 HydrophobicContact CD1-CG 4.17Å; Y795-E797 HydrophobicContact CE1-CB 4.44Å; Y795-E797 HydrophobicContact CE1-CG 3.64Å; Y795-S1020 WeakPolarHBondContact OH-CB 3.46Å; Y795-S1020 PolarHBondContact OH-OG 3.43Å; Y795-E1021 WeakPolarHBondContact OH-CG 3.26Å
796	V	92.6	Very high	88.6	Confident	17 Å²	17	32.9 Å²	32.9	10%	0.103	16%	0.161	C	C	.	.			trans	-130.6	138.6	175.4	-169.6	0	0	0	0	107.3	L846 L847 K854	V796-L846 HydrophobicContact CB-CB 3.77Å; V796-L846 HydrophobicContact CB-CD1 3.95Å; V796-L846 HydrophobicContact CB-CG 4.49Å; V796-L846 HydrophobicContact CG1-CB 3.55Å; V796-L846 HydrophobicContact CG2-CB 4.26Å; V796-L846 HydrophobicContact CG2-CD1 4.1Å; V796-L847 WeakPolarHBondContact CG1-O 3.48Å; V796-K854 HydrophobicContact CG2-CD 3.77Å
797	E	90	Very high	89.3	Confident	27 Å²	27	31.3 Å²	31.3	13%	0.126	15%	0.153	C	C	.	.	S	Bend	trans	-87.4	-20.3	-155.9	-58	101.8	129.1	0	0	114.6	Y795 S848 H849 A1018	Y795-E797 HydrophobicContact CD1-CG 4.17Å; Y795-E797 HydrophobicContact CE1-CB 4.44Å; Y795-E797 HydrophobicContact CE1-CG 3.64Å; E797-S848 WeakPolarHBondContact OE2-CA 3.4Å; E797-S848 WeakPolarHBondContact OE2-CB 3.26Å; E797-H849 VanDerWaalsContact CG-CE1 3.48Å; E797-H849 WeakPolarHBondContact CG-CE1 3.49Å; E797-H849 WeakPolarHBondContact CG-ND1 3.41Å; E797-H849 IonicContact OE1-CE1 2.84Å; E797-H849 IonicContact OE1-CG 3.75Å; E797-H849 IonicContact OE1-ND1 3.86Å; E797-H849 PolarHBondContact OE1-ND1 2.82Å; E797-A1018 HydrophobicContact CB-CB 3.91Å; E797-A1018 WeakPolarHBondContact O-CB 3.37Å
798	H	90.7	Very high	89.6	Confident	9 Å²	9	36 Å²	36	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.9	177.5	-51.4	-70.7	0	0	0	111.6	L803 L846 L847 H849 W1016	H798-L803 HydrophobicContact CB-CB 4.43Å; H798-L803 HydrophobicContact CB-CD2 4.36Å; H798-L846 CarbonylContact O-C 3.21Å; H798-L846 WeakPolarHBondContact O-CA 3.42Å; H798-L847 PolarHBondContact CD2-O 3.36Å; H798-L847 PolarHBondContact N-O 3.43Å; H798-L847 PolarHBondContact O-N 3.34Å; H798-H849 AromaticContact NE2-CD2 3.82Å; H798-H849 AromaticContact NE2-NE2 3.86Å; H798-W1016 PolarHBondContact CE1-O 2.78Å; H798-W1016 PolarHBondContact NE2-O 2.79Å
799	D	92	Very high	89.7	Confident	45 Å²	45	34.4 Å²	34.4	24%	0.241	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	139.1	151	67.8	99.1	0	0	0	109.5	K801 S802 L803 L846	D799-K801 VanDerWaalsContact C-N 3.26Å; D799-K801 PolarHBondContact O-N 2.87Å; D799-S802 VanDerWaalsContact CG-OG 3.3Å; D799-S802 PolarHBondContact O-N 3.4Å; D799-S802 WeakPolarHBondContact OD1-CA 3.22Å; D799-S802 WeakPolarHBondContact OD1-CB 3.43Å; D799-S802 PolarHBondContact OD1-N 3.41Å; D799-S802 PolarHBondContact OD1-OG 2.91Å; D799-S802 WeakPolarHBondContact OD2-CB 3.35Å; D799-S802 PolarHBondContact OD2-OG 3.09Å; D799-L803 WeakPolarHBondContact O-CB 3.3Å; D799-L803 PolarHBondContact O-N 2.79Å; D799-L846 HydrophobicContact CB-CD2 3.91Å
800	L	93.5	Very high	89.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.5	-31.5	-174.5	-77.5	-175.8	0	0	0	112.2	L803 M804 F811 T842 L845 L847 L853 F908	L800-L803 HydrophobicContact CD2-CD2 4.03Å; L800-L803 PolarHBondContact O-N 3.47Å; L800-M804 WeakPolarHBondContact O-CB 3.43Å; L800-M804 WeakPolarHBondContact O-CG 3.41Å; L800-M804 PolarHBondContact O-N 3.42Å; L800-F811 HydrophobicContact CD2-CZ 4.3Å; L800-T842 WeakPolarHBondContact CB-O 3.39Å; L800-L845 HydrophobicContact CB-CB 4.28Å; L800-L845 HydrophobicContact CD1-CB 3.69Å; L800-L845 HydrophobicContact CD1-CD1 4.08Å; L800-L845 HydrophobicContact CG-CB 4.12Å; L800-L845 PolarHBondContact N-O 3.38Å; L800-L847 HydrophobicContact CD2-CB 3.65Å; L800-L847 HydrophobicContact CD2-CD2 3.85Å; L800-L847 HydrophobicContact CD2-CG 4.27Å; L800-L847 HydrophobicContact CG-CB 4.28Å; L800-L853 HydrophobicContact CD1-CD1 3.93Å; L800-F908 HydrophobicContact CD1-CE1 3.7Å; L800-F908 HydrophobicContact CD1-CZ 3.61Å
801	K	92.2	Very high	90	Very high	48 Å²	48	37.2 Å²	37.2	21%	0.209	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-53.9	177.1	-174.3	51.8	166.6	-177.1	0	111.5	D799 L803 M804 E805 T842 E907	D799-K801 VanDerWaalsContact C-N 3.26Å; D799-K801 PolarHBondContact O-N 2.87Å; K801-L803 PolarHBondContact O-N 2.99Å; K801-M804 PolarHBondContact O-N 3.4Å; K801-E805 WeakPolarHBondContact O-CG 3.21Å; K801-E805 PolarHBondContact O-N 3.02Å; K801-T842 PolarHBondContact N-O 3.49Å; K801-T842 VanDerWaalsContact N-O 3.08Å; K801-E907 IonicContact NZ-OE1 3.78Å; K801-E907 PolarHBondContact NZ-OE1 3.44Å
802	S	90.7	Very high	90.3	Very high	22 Å²	22	39.9 Å²	39.9	15%	0.154	22%	0.22	C	C	.	.	H	α-helix	trans	-55.7	-37.2	173.5	-87.8	0	0	0	0	113.9	D799 K1019	D799-S802 VanDerWaalsContact CG-OG 3.3Å; D799-S802 PolarHBondContact O-N 3.4Å; D799-S802 WeakPolarHBondContact OD1-CA 3.22Å; D799-S802 WeakPolarHBondContact OD1-CB 3.43Å; D799-S802 PolarHBondContact OD1-N 3.41Å; D799-S802 PolarHBondContact OD1-OG 2.91Å; D799-S802 WeakPolarHBondContact OD2-CB 3.35Å; D799-S802 PolarHBondContact OD2-OG 3.09Å; S802-K1019 WeakPolarHBondContact O-CE 3.35Å; S802-K1019 PolarHBondContact O-NZ 2.82Å; S802-K1019 PolarHBondContact OG-NZ 3.24Å
803	L	91.2	Very high	90.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-70.4	-49.5	-176.7	-177.9	59.2	0	0	0	110.7	H798 D799 L800 K801 E805 I806 M807 F811 L847 W1016	H798-L803 HydrophobicContact CB-CB 4.43Å; H798-L803 HydrophobicContact CB-CD2 4.36Å; D799-L803 WeakPolarHBondContact O-CB 3.3Å; D799-L803 PolarHBondContact O-N 2.79Å; L800-L803 HydrophobicContact CD2-CD2 4.03Å; L800-L803 PolarHBondContact O-N 3.47Å; K801-L803 PolarHBondContact O-N 2.99Å; L803-E805 PolarHBondContact O-N 3.29Å; L803-I806 HydrophobicContact CD1-CD1 4.32Å; L803-I806 HydrophobicContact CD1-CG1 4.3Å; L803-I806 WeakPolarHBondContact O-CG1 3.3Å; L803-I806 PolarHBondContact O-N 3.08Å; L803-M807 HydrophobicContact CD1-CG 4.22Å; L803-M807 HydrophobicContact CD1-SD 4.43Å; L803-M807 HydrophobicContact CD2-SD 4.45Å; L803-M807 HydrophobicContact CG-CG 4.23Å; L803-M807 HydrophobicContact CG-SD 3.87Å; L803-M807 VanDerWaalsContact O-CG 3.3Å; L803-M807 WeakPolarHBondContact O-CG 2.87Å; L803-M807 PolarHBondContact O-N 2.82Å; L803-F811 HydrophobicContact CD2-CZ 4.48Å; L803-L847 HydrophobicContact CD2-CD2 3.66Å; L803-W1016 HydrophobicContact CD1-CB 3.81Å; L803-W1016 HydrophobicContact CD1-CD2 3.63Å; L803-W1016 HydrophobicContact CD1-CE3 3.83Å; L803-W1016 HydrophobicContact CD1-CG 3.61Å; L803-W1016 HydrophobicContact CD2-CD2 4.45Å; L803-W1016 HydrophobicContact CD2-CE3 3.87Å; L803-W1016 HydrophobicContact CD2-CZ3 3.95Å; L803-W1016 HydrophobicContact CG-CE3 4.4Å
804	M	92.7	Very high	90.6	Very high	16 Å²	16	40.8 Å²	40.8	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-31.3	177.1	-69.1	171.6	67.1	0	0	112.5	L800 K801 F811 T842 E907 F908	L800-M804 WeakPolarHBondContact O-CB 3.43Å; L800-M804 WeakPolarHBondContact O-CG 3.41Å; L800-M804 PolarHBondContact O-N 3.42Å; K801-M804 PolarHBondContact O-N 3.4Å; M804-F811 HydrophobicContact CG-CE2 3.67Å; M804-F811 HydrophobicContact CG-CZ 4.18Å; M804-F811 HydrophobicContact SD-CE2 4.03Å; M804-T842 HydrophobicContact SD-CG2 4.23Å; M804-E907 HydrophobicContact CE-CG 3.78Å; M804-E907 VanDerWaalsContact CE-O 3.3Å; M804-E907 WeakPolarHBondContact CE-O 3.41Å; M804-F908 HydrophobicContact CE-CD1 4.13Å; M804-F908 HydrophobicContact SD-CD1 3.79Å; M804-F908 HydrophobicContact SD-CE1 4.08Å
805	E	89.7	Confident	90.8	Very high	130 Å²	130	41.3 Å²	41.3	61%	0.607	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-21.5	174.5	-72.1	172.6	-178.3	0	0	114.8	K801 L803	K801-E805 WeakPolarHBondContact O-CG 3.21Å; K801-E805 PolarHBondContact O-N 3.02Å; L803-E805 PolarHBondContact O-N 3.29Å
806	I	87	Confident	91	Very high	74 Å²	74	40 Å²	40	38%	0.379	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-8.8	-179.3	65.8	171.7	0	0	0	113.9	L803	L803-I806 HydrophobicContact CD1-CD1 4.32Å; L803-I806 HydrophobicContact CD1-CG1 4.3Å; L803-I806 WeakPolarHBondContact O-CG1 3.3Å; L803-I806 PolarHBondContact O-N 3.08Å
807	M	87.7	Confident	91.2	Very high	28 Å²	28	39.1 Å²	39.1	14%	0.138	22%	0.219	C	C	.	.			trans	-71.7	140.1	178.2	-78.5	170.2	65	0	0	111.7	L803 G809 F811 W1016	L803-M807 HydrophobicContact CD1-CG 4.22Å; L803-M807 HydrophobicContact CD1-SD 4.43Å; L803-M807 HydrophobicContact CD2-SD 4.45Å; L803-M807 HydrophobicContact CG-CG 4.23Å; L803-M807 HydrophobicContact CG-SD 3.87Å; L803-M807 VanDerWaalsContact O-CG 3.3Å; L803-M807 WeakPolarHBondContact O-CG 2.87Å; L803-M807 PolarHBondContact O-N 2.82Å; M807-G809 PolarHBondContact O-N 2.8Å; M807-G809 VanDerWaalsContact O-N 3.14Å; M807-F811 HydrophobicContact CE-CD1 3.51Å; M807-F811 HydrophobicContact CE-CE1 3.45Å; M807-F811 VanDerWaalsContact CE-CE1 3.45Å; M807-F811 HydrophobicContact CE-CE2 4.48Å; M807-F811 HydrophobicContact CE-CG 4.05Å; M807-F811 HydrophobicContact CE-CZ 3.97Å; M807-F811 HydrophobicContact SD-CD1 4.26Å; M807-F811 HydrophobicContact SD-CE1 3.57Å; M807-F811 VanDerWaalsContact SD-CE1 3.57Å; M807-F811 HydrophobicContact SD-CE2 4.31Å; M807-F811 HydrophobicContact SD-CZ 3.6Å; M807-F811 VanDerWaalsContact SD-CZ 3.6Å; M807-W1016 HydrophobicContact CE-CH2 4.36Å; M807-W1016 HydrophobicContact CE-CZ2 3.86Å; M807-W1016 HydrophobicContact CG-CZ2 4.11Å; M807-W1016 HydrophobicContact SD-CH2 4.42Å; M807-W1016 HydrophobicContact SD-CZ2 4Å
808	N	79.3	Confident	91.6	Very high	183 Å²	183	38.2 Å²	38.2	98%	0.979	22%	0.215	S	C	*	.	S	Bend	trans	-74.9	4.3	179.7	-67.9	-29.2	0	0	0	114.2
809	G	84.4	Confident	91.9	Very high	32 Å²	32	37.8 Å²	37.8	33%	0.33	21%	0.213	S	C	.	.	S	Bend	trans	178.5	172.1	-176.6	0	0	0	0	0	111.7	M807	M807-G809 PolarHBondContact O-N 2.8Å; M807-G809 VanDerWaalsContact O-N 3.14Å
810	P	89.9	Confident	92.2	Very high	83 Å²	83	35.6 Å²	35.6	54%	0.539	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-68	155.5	176.7	30.7	-36.1	0	0	0	112.4	Q911	P810-Q911 HydrophobicContact CB-CG 3.63Å
811	F	92.2	Very high	92.4	Very high	9 Å²	9	36.8 Å²	36.8	4%	0.039	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-54.2	139.1	161.9	-64.9	-65	0	0	0	110.5	L800 L803 M804 M807 E815 V816 L819 F908 F1013 W1016	L800-F811 HydrophobicContact CD2-CZ 4.3Å; L803-F811 HydrophobicContact CD2-CZ 4.48Å; M804-F811 HydrophobicContact CG-CE2 3.67Å; M804-F811 HydrophobicContact CG-CZ 4.18Å; M804-F811 HydrophobicContact SD-CE2 4.03Å; M807-F811 HydrophobicContact CE-CD1 3.51Å; M807-F811 HydrophobicContact CE-CE1 3.45Å; M807-F811 VanDerWaalsContact CE-CE1 3.45Å; M807-F811 HydrophobicContact CE-CE2 4.48Å; M807-F811 HydrophobicContact CE-CG 4.05Å; M807-F811 HydrophobicContact CE-CZ 3.97Å; M807-F811 HydrophobicContact SD-CD1 4.26Å; M807-F811 HydrophobicContact SD-CE1 3.57Å; M807-F811 VanDerWaalsContact SD-CE1 3.57Å; M807-F811 HydrophobicContact SD-CE2 4.31Å; M807-F811 HydrophobicContact SD-CZ 3.6Å; M807-F811 VanDerWaalsContact SD-CZ 3.6Å; F811-E815 HydrophobicContact CB-CB 4Å; F811-E815 HydrophobicContact CD1-CB 4.15Å; F811-E815 HydrophobicContact CG-CB 4.45Å; F811-V816 HydrophobicContact CB-CG2 3.54Å; F811-V816 HydrophobicContact CG-CG2 4.49Å; F811-L819 HydrophobicContact CD1-CD1 4.25Å; F811-L819 HydrophobicContact CD2-CD1 4.1Å; F811-L819 HydrophobicContact CE1-CD1 4.13Å; F811-L819 HydrophobicContact CE2-CD1 3.95Å; F811-L819 HydrophobicContact CG-CD1 4.26Å; F811-L819 HydrophobicContact CZ-CD1 3.99Å; F811-F908 HydrophobicContact CD2-CB 4.41Å; F811-F908 HydrophobicContact CD2-CD1 4.42Å; F811-F908 HydrophobicContact CE2-CD1 4.22Å; F811-F1013 HydrophobicContact CD1-CE1 4.05Å; F811-F1013 HydrophobicContact CD1-CZ 4.44Å; F811-F1013 AromaticContact CE1-CE1 3.86Å; F811-F1013 HydrophobicContact CE1-CE1 3.86Å; F811-W1016 HydrophobicContact CE1-CH2 4.15Å
812	S	93.4	Very high	92.7	Very high	56 Å²	56	34.9 Å²	34.9	39%	0.392	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-64.5	157.5	167.5	68.9	0	0	0	0	111.2	G814 E815 V816	S812-G814 PolarHBondContact O-N 3.5Å; S812-G814 VanDerWaalsContact O-N 3.13Å; S812-E815 WeakPolarHBondContact CA-OE2 3.23Å; S812-E815 WeakPolarHBondContact CB-OE2 3.44Å; S812-E815 PolarHBondContact N-OE2 2.76Å; S812-E815 WeakPolarHBondContact O-CB 3.44Å; S812-E815 PolarHBondContact O-N 3.16Å; S812-E815 WeakPolarHBondContact OG-CG 3.43Å; S812-E815 PolarHBondContact OG-N 2.75Å; S812-E815 PolarHBondContact OG-OE2 3.2Å; S812-V816 WeakPolarHBondContact O-CG2 3.48Å; S812-V816 PolarHBondContact O-N 2.94Å
813	V	94.6	Very high	93.1	Very high	32 Å²	32	33.8 Å²	33.8	19%	0.194	19%	0.193	C	C	.	.	H	α-helix	trans	-57.5	-32	179.3	178.6	0	0	0	0	112.2	K817 P1005	V813-K817 HydrophobicContact CG1-CD 4.32Å; V813-K817 WeakPolarHBondContact O-CB 3.31Å; V813-K817 VanDerWaalsContact O-CG 3.3Å; V813-K817 WeakPolarHBondContact O-CG 3.44Å; V813-K817 PolarHBondContact O-N 3.16Å; V813-P1005 HydrophobicContact CB-CG 3.75Å; V813-P1005 HydrophobicContact CG1-CG 3.84Å
814	G	95.3	Very high	93.4	Very high	3 Å²	3	33.8 Å²	33.8	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-71.4	-38	175.9	0	0	0	0	0	113.7	S812 C818 R1006 A1007 I1008	S812-G814 PolarHBondContact O-N 3.5Å; S812-G814 VanDerWaalsContact O-N 3.13Å; G814-C818 WeakPolarHBondContact O-CB 3.48Å; G814-C818 PolarHBondContact O-N 2.56Å; G814-C818 VanDerWaalsContact O-N 3.1Å; G814-R1006 WeakPolarHBondContact CA-O 3.4Å; G814-A1007 WeakPolarHBondContact O-CA 3.33Å; G814-I1008 PolarHBondContact O-N 2.86Å; G814-I1008 VanDerWaalsContact O-N 3.08Å
815	E	95.4	Very high	93.7	Very high	24 Å²	24	37.5 Å²	37.5	11%	0.112	21%	0.206	C	C	.	.	H	α-helix	trans	-64.9	-47.5	171.3	-74.9	162.6	127.2	0	0	110.9	F811 S812 K817 C818 L819 I1008 F1013 P1014	F811-E815 HydrophobicContact CB-CB 4Å; F811-E815 HydrophobicContact CD1-CB 4.15Å; F811-E815 HydrophobicContact CG-CB 4.45Å; S812-E815 WeakPolarHBondContact CA-OE2 3.23Å; S812-E815 WeakPolarHBondContact CB-OE2 3.44Å; S812-E815 PolarHBondContact N-OE2 2.76Å; S812-E815 WeakPolarHBondContact O-CB 3.44Å; S812-E815 PolarHBondContact O-N 3.16Å; S812-E815 WeakPolarHBondContact OG-CG 3.43Å; S812-E815 PolarHBondContact OG-N 2.75Å; S812-E815 PolarHBondContact OG-OE2 3.2Å; E815-K817 VanDerWaalsContact C-N 3.34Å; E815-K817 PolarHBondContact O-N 3.43Å; E815-C818 WeakPolarHBondContact O-CB 3.47Å; E815-C818 PolarHBondContact O-N 3.05Å; E815-C818 VanDerWaalsContact O-N 3.09Å; E815-L819 WeakPolarHBondContact O-CG 3.5Å; E815-L819 PolarHBondContact O-N 2.83Å; E815-I1008 HydrophobicContact CB-CD1 4.48Å; E815-I1008 HydrophobicContact CG-CD1 3.5Å; E815-I1008 HydrophobicContact CG-CG1 4.19Å; E815-F1013 HydrophobicContact CB-CE1 4.15Å; E815-F1013 HydrophobicContact CB-CE2 4.08Å; E815-F1013 HydrophobicContact CB-CZ 3.55Å; E815-F1013 HydrophobicContact CG-CE1 3.99Å; E815-F1013 HydrophobicContact CG-CE2 4.05Å; E815-F1013 HydrophobicContact CG-CZ 3.71Å; E815-P1014 WeakPolarHBondContact OE1-CD 3.18Å; E815-P1014 WeakPolarHBondContact OE1-CG 3.39Å
816	V	96.7	Very high	94.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.2	-43.6	177.6	177.7	0	0	0	0	111.5	F811 S812 C818 L819 L820 F905 F908 L909	F811-V816 HydrophobicContact CB-CG2 3.54Å; F811-V816 HydrophobicContact CG-CG2 4.49Å; S812-V816 WeakPolarHBondContact O-CG2 3.48Å; S812-V816 PolarHBondContact O-N 2.94Å; V816-C818 VanDerWaalsContact C-N 3.34Å; V816-C818 PolarHBondContact O-N 3.32Å; V816-L819 PolarHBondContact O-N 3.14Å; V816-L820 VanDerWaalsContact O-CB 3.24Å; V816-L820 WeakPolarHBondContact O-CB 3.12Å; V816-L820 PolarHBondContact O-N 2.95Å; V816-F905 HydrophobicContact CG1-CD2 3.74Å; V816-F905 HydrophobicContact CG1-CE2 3.71Å; V816-F908 HydrophobicContact CG1-CB 4.06Å; V816-F908 HydrophobicContact CG1-CD2 4.36Å; V816-F908 HydrophobicContact CG2-CB 4.04Å; V816-L909 HydrophobicContact CB-CD2 4.43Å; V816-L909 HydrophobicContact CG1-CD2 4.03Å; V816-L909 HydrophobicContact CG1-CG 4.31Å; V816-L909 HydrophobicContact CG2-CD2 4.19Å
817	K	97.5	Very high	94.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-40.9	174.7	-77.8	176.4	-175.8	-172.9	0	112.2	V813 E815 V821 Y1000 F1001 E1003 P1005 A1007	V813-K817 HydrophobicContact CG1-CD 4.32Å; V813-K817 WeakPolarHBondContact O-CB 3.31Å; V813-K817 VanDerWaalsContact O-CG 3.3Å; V813-K817 WeakPolarHBondContact O-CG 3.44Å; V813-K817 PolarHBondContact O-N 3.16Å; E815-K817 VanDerWaalsContact C-N 3.34Å; E815-K817 PolarHBondContact O-N 3.43Å; K817-V821 VanDerWaalsContact O-CG2 3.3Å; K817-V821 WeakPolarHBondContact O-CG2 3.26Å; K817-V821 PolarHBondContact O-N 3.44Å; K817-Y1000 HydrophobicContact CD-CE1 4.22Å; K817-Y1000 WeakPolarHBondContact CE-O 3.46Å; K817-Y1000 HydrophobicContact CG-CD1 4.23Å; K817-Y1000 HydrophobicContact CG-CE1 3.55Å; K817-Y1000 PolarHBondContact NZ-O 3.31Å; K817-F1001 HydrophobicContact CB-CD1 4.21Å; K817-F1001 HydrophobicContact CB-CE1 4.33Å; K817-F1001 HydrophobicContact CG-CD1 4.18Å; K817-F1001 HydrophobicContact CG-CE1 4.3Å; K817-E1003 IonicContact NZ-OE1 2.71Å; K817-E1003 PolarHBondContact NZ-OE1 3.44Å; K817-P1005 VanDerWaalsContact CD-O 3.31Å; K817-P1005 WeakPolarHBondContact CD-O 3.34Å; K817-P1005 WeakPolarHBondContact CE-O 3.35Å; K817-P1005 PolarHBondContact NZ-O 3.11Å; K817-A1007 HydrophobicContact CB-CB 3.86Å
818	C	97	Very high	95	Very high	7 Å²	7	27.2 Å²	27.2	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-49.1	177.3	-175.9	0	0	0	0	112	G814 E815 V816 L820 V821 Q822 A1007 I1008 F1013	G814-C818 WeakPolarHBondContact O-CB 3.48Å; G814-C818 PolarHBondContact O-N 2.56Å; G814-C818 VanDerWaalsContact O-N 3.1Å; E815-C818 WeakPolarHBondContact O-CB 3.47Å; E815-C818 PolarHBondContact O-N 3.05Å; E815-C818 VanDerWaalsContact O-N 3.09Å; V816-C818 VanDerWaalsContact C-N 3.34Å; V816-C818 PolarHBondContact O-N 3.32Å; C818-L820 PolarHBondContact O-N 2.88Å; C818-V821 PolarHBondContact O-N 3.29Å; C818-Q822 WeakPolarHBondContact O-CG 3.28Å; C818-Q822 PolarHBondContact O-N 2.93Å; C818-Q822 VanDerWaalsContact O-N 3.13Å; C818-Q822 PolarHBondContact SG-NE2 2.77Å; C818-Q822 VanDerWaalsContact SG-NE2 3.41Å; C818-A1007 HydrophobicContact CB-CB 4.27Å; C818-I1008 HydrophobicContact CB-CG1 4.05Å; C818-I1008 WeakPolarHBondContact CB-O 3.39Å; C818-I1008 PolarHBondContact SG-O 2.93Å; C818-F1013 HydrophobicContact CB-CE2 4.13Å
819	L	97.6	Very high	95.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.9	-43.6	176.5	-62.9	170.8	0	0	0	111.5	F811 E815 V816 Q822 L823 L847 L853 F908 F1013	F811-L819 HydrophobicContact CD1-CD1 4.25Å; F811-L819 HydrophobicContact CD2-CD1 4.1Å; F811-L819 HydrophobicContact CE1-CD1 4.13Å; F811-L819 HydrophobicContact CE2-CD1 3.95Å; F811-L819 HydrophobicContact CG-CD1 4.26Å; F811-L819 HydrophobicContact CZ-CD1 3.99Å; E815-L819 WeakPolarHBondContact O-CG 3.5Å; E815-L819 PolarHBondContact O-N 2.83Å; V816-L819 PolarHBondContact O-N 3.14Å; L819-Q822 PolarHBondContact O-N 3.5Å; L819-L823 WeakPolarHBondContact O-CB 3.42Å; L819-L823 PolarHBondContact O-N 2.62Å; L819-L847 HydrophobicContact CD2-CD1 3.74Å; L819-L853 HydrophobicContact CB-CD1 4.06Å; L819-L853 HydrophobicContact CD2-CB 4.31Å; L819-L853 HydrophobicContact CD2-CD1 3.96Å; L819-F908 HydrophobicContact CB-CD2 4.37Å; L819-F908 HydrophobicContact CB-CE2 3.81Å; L819-F908 HydrophobicContact CB-CZ 4.33Å; L819-F908 HydrophobicContact CD1-CD2 4.5Å; L819-F908 HydrophobicContact CD1-CE2 4.3Å; L819-F908 HydrophobicContact CD1-CZ 4.36Å; L819-F1013 HydrophobicContact CD1-CE1 4.44Å; L819-F1013 HydrophobicContact CD1-CZ 3.85Å; L819-F1013 HydrophobicContact CD2-CE1 4.38Å; L819-F1013 HydrophobicContact CD2-CE2 4.16Å; L819-F1013 HydrophobicContact CD2-CZ 3.71Å; L819-F1013 HydrophobicContact CG-CE2 4.19Å; L819-F1013 HydrophobicContact CG-CZ 3.62Å
820	L	98.3	Very high	96.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66	-40.5	-179.4	-175.1	60.8	0	0	0	112.3	V816 C818 L823 L824 V901 F905 L977 F981 Y1000 F1001	V816-L820 VanDerWaalsContact O-CB 3.24Å; V816-L820 WeakPolarHBondContact O-CB 3.12Å; V816-L820 PolarHBondContact O-N 2.95Å; C818-L820 PolarHBondContact O-N 2.88Å; L820-L823 PolarHBondContact O-N 3.25Å; L820-L824 HydrophobicContact CD1-CD1 4.26Å; L820-L824 HydrophobicContact CD1-CG 4.24Å; L820-L824 HydrophobicContact CG-CD1 3.99Å; L820-L824 HydrophobicContact CG-CG 4.42Å; L820-L824 WeakPolarHBondContact O-CB 3.5Å; L820-L824 WeakPolarHBondContact O-CG 3.23Å; L820-L824 PolarHBondContact O-N 3.22Å; L820-V901 HydrophobicContact CD1-CG1 3.75Å; L820-F905 HydrophobicContact CD1-CB 4.2Å; L820-F905 HydrophobicContact CD1-CG 4.44Å; L820-F905 HydrophobicContact CD2-CB 4.47Å; L820-F905 HydrophobicContact CD2-CD1 3.99Å; L820-F905 HydrophobicContact CD2-CD2 3.79Å; L820-F905 HydrophobicContact CD2-CE1 4.13Å; L820-F905 HydrophobicContact CD2-CE2 3.94Å; L820-F905 HydrophobicContact CD2-CG 3.83Å; L820-F905 HydrophobicContact CD2-CZ 4.11Å; L820-L977 HydrophobicContact CD2-CD2 4.11Å; L820-F981 HydrophobicContact CD1-CE2 4.46Å; L820-F981 HydrophobicContact CD2-CE2 4.47Å; L820-Y1000 HydrophobicContact CD2-CE1 4.43Å; L820-F1001 HydrophobicContact CB-CE1 4.38Å; L820-F1001 HydrophobicContact CB-CZ 4.45Å; L820-F1001 HydrophobicContact CD2-CE1 4.14Å; L820-F1001 HydrophobicContact CD2-CZ 3.72Å; L820-F1001 HydrophobicContact CG-CE1 4.35Å; L820-F1001 HydrophobicContact CG-CZ 3.94Å
821	V	98.2	Very high	96.4	Very high	24 Å²	24	15.4 Å²	15.4	15%	0.145	8%	0.081	C	C	.	.	H	α-helix	trans	-61.3	-45.4	173.8	168.3	0	0	0	0	111.1	K817 C818 L824 R825 L996 F1001	K817-V821 VanDerWaalsContact O-CG2 3.3Å; K817-V821 WeakPolarHBondContact O-CG2 3.26Å; K817-V821 PolarHBondContact O-N 3.44Å; C818-V821 PolarHBondContact O-N 3.29Å; V821-L824 PolarHBondContact O-N 3.07Å; V821-R825 WeakPolarHBondContact O-CG 3.42Å; V821-R825 PolarHBondContact O-N 3.41Å; V821-L996 HydrophobicContact CG1-CD2 4.31Å; V821-F1001 HydrophobicContact CG2-CD1 3.5Å; V821-F1001 VanDerWaalsContact CG2-CD1 3.5Å; V821-F1001 HydrophobicContact CG2-CE1 3.49Å; V821-F1001 VanDerWaalsContact CG2-CE1 3.49Å; V821-F1001 HydrophobicContact CG2-CG 4.07Å; V821-F1001 HydrophobicContact CG2-CZ 4.05Å
822	Q	98.2	Very high	96.4	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.037	9%	0.09	C	C	.	.	H	α-helix	trans	-63.8	-42.9	178.9	-71.5	-173.1	71.8	0	0	112.3	N773 C818 L819 R825 A826 G851 L853	N773-Q822 WeakPolarHBondContact CB-O 2.99Å; N773-Q822 PolarHBondContact ND2-OE1 2.74Å; N773-Q822 PolarHBondContact OD1-O 3.29Å; C818-Q822 WeakPolarHBondContact O-CG 3.28Å; C818-Q822 PolarHBondContact O-N 2.93Å; C818-Q822 VanDerWaalsContact O-N 3.13Å; C818-Q822 PolarHBondContact SG-NE2 2.77Å; C818-Q822 VanDerWaalsContact SG-NE2 3.41Å; L819-Q822 PolarHBondContact O-N 3.5Å; Q822-R825 PolarHBondContact O-N 3.31Å; Q822-A826 PolarHBondContact O-N 3.46Å; Q822-A826 VanDerWaalsContact O-N 3.12Å; Q822-G851 PolarHBondContact NE2-O 3.45Å; Q822-L853 HydrophobicContact CB-CB 3.96Å; Q822-L853 HydrophobicContact CB-CD2 4.47Å
823	L	98.6	Very high	96.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.2	-44.9	174.3	178	57.8	0	0	0	111.8	L819 L820 R825 A826 V827 L845 L853 V855 V901 I904	L819-L823 WeakPolarHBondContact O-CB 3.42Å; L819-L823 PolarHBondContact O-N 2.62Å; L820-L823 PolarHBondContact O-N 3.25Å; L823-R825 VanDerWaalsContact C-N 3.34Å; L823-R825 PolarHBondContact O-N 2.86Å; L823-A826 WeakPolarHBondContact O-CB 3.37Å; L823-A826 PolarHBondContact O-N 3.42Å; L823-V827 HydrophobicContact CD1-CG2 4.2Å; L823-V827 WeakPolarHBondContact O-CG2 3.48Å; L823-V827 PolarHBondContact O-N 3.24Å; L823-L845 HydrophobicContact CD1-CD1 4.32Å; L823-L845 HydrophobicContact CD1-CD2 3.74Å; L823-L845 HydrophobicContact CD2-CD1 4.11Å; L823-L853 HydrophobicContact CB-CD1 4.39Å; L823-L853 HydrophobicContact CB-CD2 4.25Å; L823-V855 HydrophobicContact CD1-CG2 3.84Å; L823-V901 HydrophobicContact CD2-CG1 4.22Å; L823-V901 HydrophobicContact CD2-CG2 4.07Å; L823-V901 HydrophobicContact CG-CG2 4.16Å; L823-I904 HydrophobicContact CD2-CB 4.5Å; L823-I904 HydrophobicContact CD2-CD1 4.36Å; L823-I904 HydrophobicContact CD2-CG2 3.97Å
824	L	98.6	Very high	95.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.6	-34.9	178.5	-74.1	170.7	0	0	0	112.8	L820 V821 V827 S828 L898 V901 F981 A992 A995 L996 F1001	L820-L824 HydrophobicContact CD1-CD1 4.26Å; L820-L824 HydrophobicContact CD1-CG 4.24Å; L820-L824 HydrophobicContact CG-CD1 3.99Å; L820-L824 HydrophobicContact CG-CG 4.42Å; L820-L824 WeakPolarHBondContact O-CB 3.5Å; L820-L824 WeakPolarHBondContact O-CG 3.23Å; L820-L824 PolarHBondContact O-N 3.22Å; V821-L824 PolarHBondContact O-N 3.07Å; L824-V827 PolarHBondContact O-N 2.9Å; L824-S828 WeakPolarHBondContact O-CB 3.4Å; L824-S828 PolarHBondContact O-N 3.37Å; L824-L898 HydrophobicContact CD2-CD1 4.13Å; L824-V901 HydrophobicContact CD2-CG1 4.04Å; L824-F981 HydrophobicContact CD1-CZ 4.17Å; L824-F981 HydrophobicContact CD2-CE1 3.93Å; L824-F981 HydrophobicContact CD2-CZ 3.83Å; L824-A992 HydrophobicContact CD2-CB 4.43Å; L824-A995 HydrophobicContact CD1-CB 3.84Å; L824-A995 HydrophobicContact CD2-CB 3.89Å; L824-L996 HydrophobicContact CB-CD2 3.54Å; L824-L996 HydrophobicContact CB-CG 3.82Å; L824-L996 HydrophobicContact CD1-CD2 4.41Å; L824-F1001 HydrophobicContact CD1-CE2 4.18Å; L824-F1001 HydrophobicContact CD1-CZ 4.01Å
825	R	98.1	Very high	95.5	Very high	94 Å²	94	16 Å²	16	36%	0.355	8%	0.077	S	C	.	.	H	α-helix	trans	-62	-46.6	171.6	-72.9	173.5	-179.1	-177.1	0.7	111.4	V821 Q822 L823 S828 H829 L996	V821-R825 WeakPolarHBondContact O-CG 3.42Å; V821-R825 PolarHBondContact O-N 3.41Å; Q822-R825 PolarHBondContact O-N 3.31Å; L823-R825 VanDerWaalsContact C-N 3.34Å; L823-R825 PolarHBondContact O-N 2.86Å; R825-S828 PolarHBondContact O-N 3.34Å; R825-H829 WeakPolarHBondContact O-CB 3.32Å; R825-H829 PolarHBondContact O-N 3.36Å; R825-L996 HydrophobicContact CG-CD1 4.43Å; R825-L996 HydrophobicContact CG-CD2 4Å
826	A	97.5	Very high	95.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.9	-49.4	175.5	0	0	0	0	0	112	N773 I774 Q822 L823 S828 H829 L830 V855	N773-A826 HydrophobicContact CB-CB 3.88Å; N773-A826 WeakPolarHBondContact O-CB 3.37Å; I774-A826 HydrophobicContact CD1-CB 4.46Å; I774-A826 HydrophobicContact CG1-CB 3.94Å; Q822-A826 PolarHBondContact O-N 3.46Å; Q822-A826 VanDerWaalsContact O-N 3.12Å; L823-A826 WeakPolarHBondContact O-CB 3.37Å; L823-A826 PolarHBondContact O-N 3.42Å; A826-S828 PolarHBondContact O-N 3.25Å; A826-H829 PolarHBondContact O-N 3.16Å; A826-L830 WeakPolarHBondContact O-CG 3.47Å; A826-L830 PolarHBondContact O-N 3.38Å; A826-V855 HydrophobicContact CB-CB 4.43Å; A826-V855 HydrophobicContact CB-CG2 3.55Å
827	V	97.5	Very high	95.1	Very high	1 Å²	1	15 Å²	15	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-65.3	-39.5	-179.7	176.6	0	0	0	0	111.6	L823 L824 L830 H831 L840 D897 L898 V901 A992	L823-V827 HydrophobicContact CD1-CG2 4.2Å; L823-V827 WeakPolarHBondContact O-CG2 3.48Å; L823-V827 PolarHBondContact O-N 3.24Å; L824-V827 PolarHBondContact O-N 2.9Å; V827-L830 PolarHBondContact O-N 3.01Å; V827-H831 VanDerWaalsContact CG1-CE1 3.49Å; V827-H831 WeakPolarHBondContact CG1-CE1 3.47Å; V827-H831 WeakPolarHBondContact O-CB 3.45Å; V827-H831 PolarHBondContact O-CD2 3.42Å; V827-H831 PolarHBondContact O-N 3.48Å; V827-L840 HydrophobicContact CG2-CD1 3.77Å; V827-D897 HydrophobicContact CG1-CB 4.38Å; V827-L898 HydrophobicContact CG1-CD1 4.28Å; V827-L898 HydrophobicContact CG1-CD2 4.07Å; V827-V901 HydrophobicContact CG2-CG2 4.06Å; V827-A992 HydrophobicContact CB-CB 4.45Å; V827-A992 HydrophobicContact CG1-CB 4.2Å
828	S	96.8	Very high	94.8	Very high	15 Å²	15	15.4 Å²	15.4	11%	0.105	7%	0.073	C	C	.	.	H	α-helix	trans	-61	-48.1	173.7	-159.8	0	0	0	0	111.1	L824 R825 A826 L830 H831 D832	L824-S828 WeakPolarHBondContact O-CB 3.4Å; L824-S828 PolarHBondContact O-N 3.37Å; R825-S828 PolarHBondContact O-N 3.34Å; A826-S828 PolarHBondContact O-N 3.25Å; S828-L830 VanDerWaalsContact C-N 3.33Å; S828-L830 PolarHBondContact O-N 3.44Å; S828-H831 PolarHBondContact O-N 2.98Å; S828-H831 VanDerWaalsContact O-N 3.14Å; S828-D832 WeakPolarHBondContact O-CB 3.46Å; S828-D832 VanDerWaalsContact O-CG 3.3Å; S828-D832 PolarHBondContact O-N 3.42Å; S828-D832 PolarHBondContact OG-OD2 2.87Å
829	H	95	Very high	94.5	Very high	44 Å²	44	15.4 Å²	15.4	20%	0.204	7%	0.073	C	C	.	.	H	α-helix	trans	-59.7	-40.4	178.1	176.7	93	0	0	0	112.6	Q770 H771 R825 A826 N833	Q770-H829 PolarHBondContact O-CE1 3.47Å; Q770-H829 PolarHBondContact O-NE2 2.85Å; H771-H829 HydrophobicContact CB-CB 4.46Å; H771-H829 AromaticContact CD2-CG 3.86Å; H771-H829 AromaticContact CD2-ND1 3.78Å; H771-H829 AromaticContact CG-CG 3.9Å; R825-H829 WeakPolarHBondContact O-CB 3.32Å; R825-H829 PolarHBondContact O-N 3.36Å; A826-H829 PolarHBondContact O-N 3.16Å; H829-N833 PolarHBondContact CE1-ND2 3.25Å; H829-N833 VanDerWaalsContact CE1-ND2 3.31Å; H829-N833 PolarHBondContact NE2-ND2 3.46Å; H829-N833 WeakPolarHBondContact O-CB 3.34Å; H829-N833 PolarHBondContact O-N 3.26Å; H829-N833 PolarHBondContact O-ND2 3.49Å
830	L	94.1	Very high	94.4	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-63.5	-46.2	173.7	-70.7	177	0	0	0	111.7	A769 I774 A826 V827 S828 N833 W834 I835 H837 F858	A769-L830 HydrophobicContact CB-CD2 3.61Å; I774-L830 HydrophobicContact CD1-CD1 4.41Å; I774-L830 HydrophobicContact CD1-CD2 3.71Å; I774-L830 HydrophobicContact CD1-CG 3.79Å; A826-L830 WeakPolarHBondContact O-CG 3.47Å; A826-L830 PolarHBondContact O-N 3.38Å; V827-L830 PolarHBondContact O-N 3.01Å; S828-L830 VanDerWaalsContact C-N 3.33Å; S828-L830 PolarHBondContact O-N 3.44Å; L830-N833 CarbonylContact O-C 3.57Å; L830-N833 WeakPolarHBondContact O-CA 3.41Å; L830-N833 PolarHBondContact O-N 3.37Å; L830-N833 VanDerWaalsContact O-N 3.13Å; L830-W834 PolarHBondContact O-N 2.87Å; L830-I835 CarbonylContact C-O 3.58Å; L830-I835 HydrophobicContact CB-CB 4.4Å; L830-I835 HydrophobicContact CD2-CB 4.18Å; L830-I835 HydrophobicContact CD2-CD1 4.27Å; L830-I835 HydrophobicContact CD2-CG2 4.1Å; L830-I835 PolarHBondContact O-N 2.6Å; L830-H837 HydrophobicContact CD1-CB 4.28Å; L830-F858 HydrophobicContact CD1-CE1 3.76Å; L830-F858 HydrophobicContact CD1-CZ 3.96Å; L830-F858 HydrophobicContact CD2-CE1 3.53Å; L830-F858 HydrophobicContact CD2-CZ 4Å; L830-F858 HydrophobicContact CG-CE1 4.29Å
831	H	94.1	Very high	94.3	Very high	5 Å²	5	17 Å²	17	2%	0.023	8%	0.08	C	C	.	.	H	α-helix	trans	-69.1	-36.5	-177	-70.5	-171.5	0	0	0	112.3	V827 S828 N833 W834 I835 Y864 C894 D897 L898	V827-H831 VanDerWaalsContact CG1-CE1 3.49Å; V827-H831 WeakPolarHBondContact CG1-CE1 3.47Å; V827-H831 WeakPolarHBondContact O-CB 3.45Å; V827-H831 PolarHBondContact O-CD2 3.42Å; V827-H831 PolarHBondContact O-N 3.48Å; S828-H831 PolarHBondContact O-N 2.98Å; S828-H831 VanDerWaalsContact O-N 3.14Å; H831-N833 VanDerWaalsContact C-N 3.3Å; H831-W834 PolarHBondContact O-N 3.33Å; H831-W834 VanDerWaalsContact O-N 3.11Å; H831-I835 PolarHBondContact CD2-O 3.13Å; H831-Y864 PolarHBondContact O-OH 2.76Å; H831-C894 VanDerWaalsContact CE1-CB 3.46Å; H831-C894 WeakPolarHBondContact CE1-CB 3.4Å; H831-C894 PolarHBondContact CE1-O 2.92Å; H831-C894 VanDerWaalsContact CE1-O 3.31Å; H831-C894 VanDerWaalsContact CG-SG 3.56Å; H831-C894 VanDerWaalsContact ND1-CB 3.33Å; H831-C894 WeakPolarHBondContact ND1-CB 3.47Å; H831-C894 PolarHBondContact ND1-SG 2.89Å; H831-D897 IonicContact CD2-OD2 2.76Å; H831-D897 IonicContact CE1-OD2 2.81Å; H831-D897 IonicContact NE2-OD2 2.7Å; H831-D897 PolarHBondContact NE2-OD2 2.7Å; H831-L898 WeakPolarHBondContact CE1-CD2 3.49Å
832	D	91.3	Very high	94.1	Very high	45 Å²	45	15.9 Å²	15.9	24%	0.241	7%	0.073	C	C	.	.	H	α-helix	trans	-68.6	-29	171.3	-69.6	-35.5	0	0	0	112	S828 W834	S828-D832 WeakPolarHBondContact O-CB 3.46Å; S828-D832 VanDerWaalsContact O-CG 3.3Å; S828-D832 PolarHBondContact O-N 3.42Å; S828-D832 PolarHBondContact OG-OD2 2.87Å; D832-W834 VanDerWaalsContact C-N 3.26Å; D832-W834 PolarHBondContact O-N 3.4Å
833	N	88	Confident	93.8	Very high	46 Å²	46	17.2 Å²	17.2	25%	0.246	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	5.5	169.4	-81	-64.7	0	0	0	114.8	R142 H829 L830 H831 I835	R142-N833 VanDerWaalsContact NH2-CA 3.32Å; R142-N833 PolarHBondContact NH2-O 2.94Å; H829-N833 PolarHBondContact CE1-ND2 3.25Å; H829-N833 VanDerWaalsContact CE1-ND2 3.31Å; H829-N833 PolarHBondContact NE2-ND2 3.46Å; H829-N833 WeakPolarHBondContact O-CB 3.34Å; H829-N833 PolarHBondContact O-N 3.26Å; H829-N833 PolarHBondContact O-ND2 3.49Å; L830-N833 CarbonylContact O-C 3.57Å; L830-N833 WeakPolarHBondContact O-CA 3.41Å; L830-N833 PolarHBondContact O-N 3.37Å; L830-N833 VanDerWaalsContact O-N 3.13Å; H831-N833 VanDerWaalsContact C-N 3.3Å; N833-I835 VanDerWaalsContact C-N 3.29Å; N833-I835 HydrophobicContact CB-CD1 4.27Å; N833-I835 HydrophobicContact CB-CG1 4.49Å; N833-I835 PolarHBondContact O-N 2.77Å
834	W	87.8	Confident	93.6	Very high	23 Å²	23	17.8 Å²	17.8	9%	0.087	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	29.8	178.1	-58.2	67.9	0	0	0	113.9	L135 R138 L830 H831 D832 E863 Y864	L135-W834 HydrophobicContact CB-CH2 4.02Å; L135-W834 HydrophobicContact CD2-CH2 3.64Å; L135-W834 HydrophobicContact CD2-CZ3 3.77Å; L135-W834 HydrophobicContact CG-CH2 4.28Å; R138-W834 HydrophobicContact CB-CZ2 4.02Å; L830-W834 PolarHBondContact O-N 2.87Å; H831-W834 PolarHBondContact O-N 3.33Å; H831-W834 VanDerWaalsContact O-N 3.11Å; D832-W834 VanDerWaalsContact C-N 3.26Å; D832-W834 PolarHBondContact O-N 3.4Å; W834-E863 CarbonylContact O-C 3.56Å; W834-E863 VanDerWaalsContact O-CA 3.24Å; W834-E863 WeakPolarHBondContact O-CA 3.41Å; W834-Y864 HydrophobicContact CB-CD1 4.44Å; W834-Y864 HydrophobicContact CB-CE1 4.22Å; W834-Y864 HydrophobicContact CE3-CD2 4.13Å; W834-Y864 AromaticContact CE3-CE2 3.8Å; W834-Y864 HydrophobicContact CE3-CE2 3.8Å; W834-Y864 HydrophobicContact CZ3-CE2 4.29Å; W834-Y864 WeakPolarHBondContact O-CD1 3.29Å; W834-Y864 PolarHBondContact O-N 2.92Å
835	I	89	Confident	93.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.2	176.7	-58.9	169.9	0	0	0	108.9	M765 K768 A769 L830 H831 N833 A861 E863	M765-I835 HydrophobicContact SD-CD1 4.5Å; M765-I835 HydrophobicContact SD-CG1 4.31Å; M765-I835 HydrophobicContact SD-CG2 4.36Å; K768-I835 HydrophobicContact CB-CD1 4.16Å; A769-I835 HydrophobicContact CB-CD1 4.08Å; L830-I835 CarbonylContact C-O 3.58Å; L830-I835 HydrophobicContact CB-CB 4.4Å; L830-I835 HydrophobicContact CD2-CB 4.18Å; L830-I835 HydrophobicContact CD2-CD1 4.27Å; L830-I835 HydrophobicContact CD2-CG2 4.1Å; L830-I835 PolarHBondContact O-N 2.6Å; H831-I835 PolarHBondContact CD2-O 3.13Å; N833-I835 VanDerWaalsContact C-N 3.29Å; N833-I835 HydrophobicContact CB-CD1 4.27Å; N833-I835 HydrophobicContact CB-CG1 4.49Å; N833-I835 PolarHBondContact O-N 2.77Å; I835-A861 HydrophobicContact CG2-CB 4.09Å; I835-E863 HydrophobicContact CG1-CG 4.42Å
836	L	91.5	Very high	93.4	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.3	164.5	-57.5	-178.4	0	0	0	109.1	R838 A861 R862 Y864 Y892	L836-R838 HydrophobicContact CB-CG 3.65Å; L836-A861 VanDerWaalsContact O-CA 3.23Å; L836-A861 WeakPolarHBondContact O-CA 3.32Å; L836-A861 WeakPolarHBondContact O-CB 3.38Å; L836-R862 PolarHBondContact N-O 3.38Å; L836-R862 PolarHBondContact O-N 3.33Å; L836-Y864 HydrophobicContact CD1-CD1 4.44Å; L836-Y864 HydrophobicContact CD1-CG 4.42Å; L836-Y864 HydrophobicContact CD2-CD1 3.48Å; L836-Y864 VanDerWaalsContact CD2-CD1 3.48Å; L836-Y864 HydrophobicContact CD2-CE1 3.76Å; L836-Y864 HydrophobicContact CD2-CG 4.06Å; L836-Y864 HydrophobicContact CG-CD1 3.55Å; L836-Y864 HydrophobicContact CG-CE1 4.32Å; L836-Y864 HydrophobicContact CG-CG 4Å; L836-Y892 HydrophobicContact CD1-CD2 4.12Å; L836-Y892 HydrophobicContact CD1-CE2 4.3Å
837	H	91.4	Very high	93.3	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.08	C	C	.	.			trans	-78.3	-46.7	179.5	-168.4	-88.1	0	0	0	111.8	L830 D839 L840 V855 G856 F858 D897	L830-H837 HydrophobicContact CD1-CB 4.28Å; H837-D839 PolarHBondContact CE1-O 3.09Å; H837-D839 VanDerWaalsContact ND1-C 3.33Å; H837-D839 PolarHBondContact ND1-N 3.4Å; H837-D839 PolarHBondContact O-N 2.89Å; H837-D839 VanDerWaalsContact O-N 3.07Å; H837-L840 HydrophobicContact CB-CD1 4.41Å; H837-L840 HydrophobicContact CB-CD2 4.15Å; H837-L840 HydrophobicContact CB-CG 3.91Å; H837-L840 WeakPolarHBondContact ND1-CD2 3.33Å; H837-L840 PolarHBondContact ND1-N 3.43Å; H837-V855 WeakPolarHBondContact NE2-CG1 3.23Å; H837-G856 PolarHBondContact NE2-O 3Å; H837-F858 AromaticContact CD2-CE1 3.69Å; H837-F858 AromaticContact CD2-CZ 3.82Å; H837-D897 PolarHBondContact N-OD2 2.89Å
838	R	91.5	Very high	93	Very high	8 Å²	8	15.9 Å²	15.9	3%	0.03	8%	0.084	C	C	.	.			trans	61.8	7.7	174.5	-42.2	-166.7	-59.3	151.8	8.8	117	L836 L860 T872 V875 V876 Y892 I896 D897	L836-R838 HydrophobicContact CB-CG 3.65Å; R838-L860 PolarHBondContact NE-O 3.49Å; R838-L860 PolarHBondContact NH2-O 3.14Å; R838-T872 PolarHBondContact NH1-OG1 2.76Å; R838-V875 HydrophobicContact CB-CB 4.4Å; R838-V875 HydrophobicContact CB-CG2 4.42Å; R838-V876 WeakPolarHBondContact O-CA 3.33Å; R838-V876 WeakPolarHBondContact O-CG2 3.38Å; R838-V876 PolarHBondContact O-N 2.86Å; R838-Y892 PolarHBondContact NH1-OH 2.91Å; R838-I896 HydrophobicContact CG-CD1 4.13Å; R838-D897 PolarHBondContact N-OD1 3.1Å
839	D	91.4	Very high	92.6	Very high	7 Å²	7	17.8 Å²	17.8	4%	0.037	9%	0.091	C	C	.	.			trans	-151.5	49.7	165.7	-162	33.7	0	0	0	112.4	H837 K841 N844 L860 T877	H837-D839 PolarHBondContact CE1-O 3.09Å; H837-D839 VanDerWaalsContact ND1-C 3.33Å; H837-D839 PolarHBondContact ND1-N 3.4Å; H837-D839 PolarHBondContact O-N 2.89Å; H837-D839 VanDerWaalsContact O-N 3.07Å; D839-K841 PolarHBondContact O-N 3.17Å; D839-K841 IonicContact OD1-NZ 3.63Å; D839-K841 PolarHBondContact OD1-NZ 2.91Å; D839-K841 WeakPolarHBondContact OD2-CE 3.5Å; D839-K841 IonicContact OD2-NZ 3.21Å; D839-K841 PolarHBondContact OD2-NZ 3.32Å; D839-N844 PolarHBondContact O-ND2 2.93Å; D839-N844 VanDerWaalsContact O-ND2 3.14Å; D839-L860 HydrophobicContact CB-CB 4.33Å; D839-L860 HydrophobicContact CB-CD1 3.81Å; D839-T877 WeakPolarHBondContact OD1-CB 3.47Å; D839-T877 PolarHBondContact OD1-N 3.48Å; D839-T877 PolarHBondContact OD1-OG1 3.41Å
840	L	96	Very high	92.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.			trans	-72.2	122.5	172.4	-72.6	174.7	0	0	0	110.1	V827 H837 V855 Y880 D897 V901 I904	V827-L840 HydrophobicContact CG2-CD1 3.77Å; H837-L840 HydrophobicContact CB-CD1 4.41Å; H837-L840 HydrophobicContact CB-CD2 4.15Å; H837-L840 HydrophobicContact CB-CG 3.91Å; H837-L840 WeakPolarHBondContact ND1-CD2 3.33Å; H837-L840 PolarHBondContact ND1-N 3.43Å; L840-V855 HydrophobicContact CD2-CG1 3.81Å; L840-Y880 WeakPolarHBondContact O-CB 3.17Å; L840-D897 HydrophobicContact CD1-CB 3.77Å; L840-V901 HydrophobicContact CD1-CG2 4.06Å; L840-I904 HydrophobicContact CB-CD1 4.11Å
841	K	95.1	Very high	92.3	Very high	33 Å²	33	21 Å²	21	14%	0.143	11%	0.106	C	C	.	.			trans	-160.5	161.7	178.9	61.6	-165.1	-177.8	-160.7	0	109.6	D839 S843 N844 T877 Y880	D839-K841 PolarHBondContact O-N 3.17Å; D839-K841 IonicContact OD1-NZ 3.63Å; D839-K841 PolarHBondContact OD1-NZ 2.91Å; D839-K841 WeakPolarHBondContact OD2-CE 3.5Å; D839-K841 IonicContact OD2-NZ 3.21Å; D839-K841 PolarHBondContact OD2-NZ 3.32Å; K841-S843 WeakPolarHBondContact CE-OG 3.47Å; K841-S843 WeakPolarHBondContact CG-OG 3.4Å; K841-S843 PolarHBondContact O-N 3.2Å; K841-S843 VanDerWaalsContact O-N 3.16Å; K841-N844 VanDerWaalsContact CE-CG 3.45Å; K841-N844 WeakPolarHBondContact CE-ND2 3.22Å; K841-N844 WeakPolarHBondContact CE-OD1 3.33Å; K841-N844 HydrophobicContact CG-CB 4.06Å; K841-N844 PolarHBondContact O-N 3.45Å; K841-T877 HydrophobicContact CD-CG2 4.24Å; K841-T877 WeakPolarHBondContact CD-OG1 3.34Å; K841-T877 PolarHBondContact NZ-OG1 3.3Å; K841-Y880 HydrophobicContact CB-CD1 4.42Å; K841-Y880 HydrophobicContact CB-CD2 3.63Å; K841-Y880 HydrophobicContact CB-CE1 4.33Å; K841-Y880 HydrophobicContact CB-CE2 3.51Å; K841-Y880 HydrophobicContact CB-CG 4.11Å
842	T	94.8	Very high	92.4	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-63	-21.7	-175.1	40.5	0	0	0	0	115.1	L800 K801 M804 Y880 I904 E907 F908	L800-T842 WeakPolarHBondContact CB-O 3.39Å; K801-T842 PolarHBondContact N-O 3.49Å; K801-T842 VanDerWaalsContact N-O 3.08Å; M804-T842 HydrophobicContact SD-CG2 4.23Å; T842-Y880 PolarHBondContact OG1-OH 2.68Å; T842-I904 HydrophobicContact CG2-CG1 4.45Å; T842-I904 HydrophobicContact CG2-CG2 4.16Å; T842-E907 HydrophobicContact CG2-CG 4.28Å; T842-E907 WeakPolarHBondContact CG2-OE2 3.37Å; T842-E907 PolarHBondContact OG1-OE2 3.47Å; T842-F908 HydrophobicContact CG2-CE1 4.01Å
843	S	92.3	Very high	92.7	Very high	36 Å²	36	20.1 Å²	20.1	25%	0.252	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-75.3	-23.8	172	65.3	0	0	0	0	113.4	K841 L845	K841-S843 WeakPolarHBondContact CE-OG 3.47Å; K841-S843 WeakPolarHBondContact CG-OG 3.4Å; K841-S843 PolarHBondContact O-N 3.2Å; K841-S843 VanDerWaalsContact O-N 3.16Å; S843-L845 VanDerWaalsContact C-N 3.3Å
844	N	94.6	Very high	93.1	Very high	13 Å²	13	19.1 Å²	19.1	7%	0.07	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-94.3	9.1	-179	-67.5	21.2	0	0	0	111.7	D839 K841 G856	D839-N844 PolarHBondContact O-ND2 2.93Å; D839-N844 VanDerWaalsContact O-ND2 3.14Å; K841-N844 VanDerWaalsContact CE-CG 3.45Å; K841-N844 WeakPolarHBondContact CE-ND2 3.22Å; K841-N844 WeakPolarHBondContact CE-OD1 3.33Å; K841-N844 HydrophobicContact CG-CB 4.06Å; K841-N844 PolarHBondContact O-N 3.45Å; N844-G856 PolarHBondContact O-N 3.02Å
845	L	96.2	Very high	93.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.7	172.2	-58.5	-175.2	0	0	0	108.6	L800 L823 S843 L853 V855 I904 F908	L800-L845 HydrophobicContact CB-CB 4.28Å; L800-L845 HydrophobicContact CD1-CB 3.69Å; L800-L845 HydrophobicContact CD1-CD1 4.08Å; L800-L845 HydrophobicContact CG-CB 4.12Å; L800-L845 PolarHBondContact N-O 3.38Å; L823-L845 HydrophobicContact CD1-CD1 4.32Å; L823-L845 HydrophobicContact CD1-CD2 3.74Å; L823-L845 HydrophobicContact CD2-CD1 4.11Å; S843-L845 VanDerWaalsContact C-N 3.3Å; L845-L853 HydrophobicContact CD1-CD1 4.45Å; L845-L853 HydrophobicContact CD2-CD2 4.44Å; L845-V855 HydrophobicContact CD2-CB 4.39Å; L845-V855 HydrophobicContact CD2-CG1 4.47Å; L845-V855 HydrophobicContact CD2-CG2 3.82Å; L845-I904 HydrophobicContact CD1-CD1 4.24Å; L845-I904 HydrophobicContact CD1-CG2 3.88Å; L845-F908 HydrophobicContact CD1-CZ 4.07Å
846	L	95.2	Very high	93.5	Very high	39 Å²	39	18.3 Å²	18.3	20%	0.204	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	150.1	176.2	-49.3	-178.7	0	0	0	109.8	V775 V796 H798 D799 L853 K854	V775-L846 HydrophobicContact CG2-CD1 3.76Å; V796-L846 HydrophobicContact CB-CB 3.77Å; V796-L846 HydrophobicContact CB-CD1 3.95Å; V796-L846 HydrophobicContact CB-CG 4.49Å; V796-L846 HydrophobicContact CG1-CB 3.55Å; V796-L846 HydrophobicContact CG2-CB 4.26Å; V796-L846 HydrophobicContact CG2-CD1 4.1Å; H798-L846 CarbonylContact O-C 3.21Å; H798-L846 WeakPolarHBondContact O-CA 3.42Å; D799-L846 HydrophobicContact CB-CD2 3.91Å; L846-L853 CarbonylContact O-C 3.34Å; L846-L853 VanDerWaalsContact O-CA 3.31Å; L846-L853 WeakPolarHBondContact O-CA 3.24Å; L846-K854 PolarHBondContact N-O 3.15Å; L846-K854 PolarHBondContact O-N 2.95Å
847	L	94.9	Very high	93.1	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.2	177	-175.6	69.8	0	0	0	110.1	V796 H798 L800 L803 L819 L853 F1013 W1016	V796-L847 WeakPolarHBondContact CG1-O 3.48Å; H798-L847 PolarHBondContact CD2-O 3.36Å; H798-L847 PolarHBondContact N-O 3.43Å; H798-L847 PolarHBondContact O-N 3.34Å; L800-L847 HydrophobicContact CD2-CB 3.65Å; L800-L847 HydrophobicContact CD2-CD2 3.85Å; L800-L847 HydrophobicContact CD2-CG 4.27Å; L800-L847 HydrophobicContact CG-CB 4.28Å; L803-L847 HydrophobicContact CD2-CD2 3.66Å; L819-L847 HydrophobicContact CD2-CD1 3.74Å; L847-L853 HydrophobicContact CD1-CB 4.38Å; L847-F1013 HydrophobicContact CD2-CD1 4.2Å; L847-F1013 HydrophobicContact CD2-CE1 4.16Å; L847-W1016 HydrophobicContact CD2-CZ3 4.22Å
848	S	92.5	Very high	92.5	Very high	14 Å²	14	20.5 Å²	20.5	10%	0.098	11%	0.106	C	C	.	.			trans	-84.7	163	175.5	83.8	0	0	0	0	112.9	E797 Q850 G851 I852	E797-S848 WeakPolarHBondContact OE2-CA 3.4Å; E797-S848 WeakPolarHBondContact OE2-CB 3.26Å; S848-Q850 VanDerWaalsContact CB-OE1 3.24Å; S848-Q850 PolarHBondContact O-N 3.38Å; S848-Q850 VanDerWaalsContact O-N 3.07Å; S848-Q850 PolarHBondContact OG-N 3.29Å; S848-Q850 PolarHBondContact OG-OE1 3.49Å; S848-G851 PolarHBondContact O-N 2.86Å; S848-I852 PolarHBondContact N-O 3.37Å; S848-I852 PolarHBondContact OG-N 2.95Å
849	H	88.6	Confident	91.5	Very high	55 Å²	55	20.6 Å²	20.6	26%	0.255	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.1	174.1	-68.7	117.8	0	0	0	113.8	E797 H798 G851 W1016	E797-H849 VanDerWaalsContact CG-CE1 3.48Å; E797-H849 WeakPolarHBondContact CG-CE1 3.49Å; E797-H849 WeakPolarHBondContact CG-ND1 3.41Å; E797-H849 IonicContact OE1-CE1 2.84Å; E797-H849 IonicContact OE1-CG 3.75Å; E797-H849 IonicContact OE1-ND1 3.86Å; E797-H849 PolarHBondContact OE1-ND1 2.82Å; H798-H849 AromaticContact NE2-CD2 3.82Å; H798-H849 AromaticContact NE2-NE2 3.86Å; H849-G851 VanDerWaalsContact C-N 3.33Å; H849-W1016 PolarHBondContact NE2-O 3.42Å; H849-W1016 VanDerWaalsContact NE2-O 3.17Å
850	Q	90.3	Very high	90.6	Very high	112 Å²	112	22.7 Å²	22.7	52%	0.523	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	12.5	175.7	-49.6	79.4	14.7	0	0	113	S848 I852 P1010	S848-Q850 VanDerWaalsContact CB-OE1 3.24Å; S848-Q850 PolarHBondContact O-N 3.38Å; S848-Q850 VanDerWaalsContact O-N 3.07Å; S848-Q850 PolarHBondContact OG-N 3.29Å; S848-Q850 PolarHBondContact OG-OE1 3.49Å; Q850-I852 VanDerWaalsContact C-N 3.3Å; Q850-I852 HydrophobicContact CB-CG1 4.38Å; Q850-I852 PolarHBondContact O-N 3.42Å; Q850-P1010 CarbonylContact C-O 3.58Å; Q850-P1010 CarbonylContact O-C 3.56Å; Q850-P1010 WeakPolarHBondContact O-CB 3.48Å; Q850-P1010 VanDerWaalsContact O-O 3.09Å
851	G	92.5	Very high	89.7	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	74.1	14.9	180	0	0	0	0	0	114.8	Q822 S848 H849	Q822-G851 PolarHBondContact NE2-O 3.45Å; S848-G851 PolarHBondContact O-N 2.86Å; H849-G851 VanDerWaalsContact C-N 3.33Å
852	I	95.8	Very high	88.8	Confident	31 Å²	31	23.1 Å²	23.1	16%	0.159	12%	0.121	C	C	.	.			trans	-87.6	115.4	-179.6	-53.3	-61.5	0	0	0	109.7	E772 S848 Q850 P1010	E772-I852 HydrophobicContact CG-CG2 4.37Å; S848-I852 PolarHBondContact N-O 3.37Å; S848-I852 PolarHBondContact OG-N 2.95Å; Q850-I852 VanDerWaalsContact C-N 3.3Å; Q850-I852 HydrophobicContact CB-CG1 4.38Å; Q850-I852 PolarHBondContact O-N 3.42Å; I852-P1010 HydrophobicContact CD1-CB 3.83Å; I852-P1010 HydrophobicContact CD1-CG 4.2Å
853	L	97	Very high	87.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.2	174.5	178.8	157.6	0	0	0	109.6	N773 L800 L819 Q822 L823 L845 L846 L847 V855	N773-L853 WeakPolarHBondContact CA-O 3.36Å; N773-L853 WeakPolarHBondContact CB-O 3.01Å; N773-L853 PolarHBondContact ND2-O 2.95Å; L800-L853 HydrophobicContact CD1-CD1 3.93Å; L819-L853 HydrophobicContact CB-CD1 4.06Å; L819-L853 HydrophobicContact CD2-CB 4.31Å; L819-L853 HydrophobicContact CD2-CD1 3.96Å; Q822-L853 HydrophobicContact CB-CB 3.96Å; Q822-L853 HydrophobicContact CB-CD2 4.47Å; L823-L853 HydrophobicContact CB-CD1 4.39Å; L823-L853 HydrophobicContact CB-CD2 4.25Å; L845-L853 HydrophobicContact CD1-CD1 4.45Å; L845-L853 HydrophobicContact CD2-CD2 4.44Å; L846-L853 CarbonylContact O-C 3.34Å; L846-L853 VanDerWaalsContact O-CA 3.31Å; L846-L853 WeakPolarHBondContact O-CA 3.24Å; L847-L853 HydrophobicContact CD1-CB 4.38Å; L853-V855 HydrophobicContact CD2-CG2 4.36Å
854	K	96.4	Very high	86.8	Confident	25 Å²	25	26 Å²	26	11%	0.109	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.2	175.1	-76.3	177.9	168.5	-63.3	0	111.5	E772 N773 I774 V775 D794 V796 L846	E772-K854 WeakPolarHBondContact O-CG 3.39Å; E772-K854 PolarHBondContact O-NZ 3.03Å; N773-K854 WeakPolarHBondContact O-CA 3.45Å; I774-K854 PolarHBondContact O-NZ 3.38Å; V775-K854 HydrophobicContact CG2-CB 4.02Å; D794-K854 IonicContact OD2-NZ 3.36Å; V796-K854 HydrophobicContact CG2-CD 3.77Å; L846-K854 PolarHBondContact N-O 3.15Å; L846-K854 PolarHBondContact O-N 2.95Å
855	V	95.7	Very high	84.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	132.7	171	-177.5	0	0	0	0	109.8	N773 V775 L823 A826 H837 L840 L845 L853 F858	N773-V855 PolarHBondContact O-N 3.04Å; V775-V855 WeakPolarHBondContact CG2-O 3.28Å; V775-V855 PolarHBondContact N-O 3.4Å; L823-V855 HydrophobicContact CD1-CG2 3.84Å; A826-V855 HydrophobicContact CB-CB 4.43Å; A826-V855 HydrophobicContact CB-CG2 3.55Å; H837-V855 WeakPolarHBondContact NE2-CG1 3.23Å; L840-V855 HydrophobicContact CD2-CG1 3.81Å; L845-V855 HydrophobicContact CD2-CB 4.39Å; L845-V855 HydrophobicContact CD2-CG1 4.47Å; L845-V855 HydrophobicContact CD2-CG2 3.82Å; L853-V855 HydrophobicContact CD2-CG2 4.36Å; V855-F858 HydrophobicContact CG1-CE2 4.38Å; V855-F858 HydrophobicContact CG1-CZ 4.25Å
856	G	89.9	Confident	82.6	Confident	7 Å²	7	30.4 Å²	30.4	7%	0.072	17%	0.166	C	C	.	.			trans	-133.9	179.9	179.1	0	0	0	0	0	114.1	H837 N844	H837-G856 PolarHBondContact NE2-O 3Å; N844-G856 PolarHBondContact O-N 3.02Å
857	D	82.1	Confident	80.4	Confident	46 Å²	46	33.8 Å²	33.8	25%	0.246	19%	0.19	C	C	.	.			trans	57.3	77.6	-175.4	-161.7	32.2	0	0	0	115.8	K744 G859	K744-D857 IonicContact NZ-OD1 2.76Å; K744-D857 PolarHBondContact NZ-OD1 3.25Å; D857-G859 VanDerWaalsContact C-N 3.32Å; D857-G859 PolarHBondContact O-N 3.31Å
858	F	79.9	Confident	78.7	Confident	1 Å²	1	36 Å²	36	0%	0.004	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-87.3	9.9	-179.3	-77.1	-98.7	0	0	0	114.1	E762 M765 L766 I774 L830 H837 V855 L860 A861	E762-F858 HydrophobicContact CG-CB 4.42Å; M765-F858 HydrophobicContact CB-CB 4.48Å; L766-F858 HydrophobicContact CD2-CB 4.17Å; L766-F858 HydrophobicContact CD2-CD2 3.36Å; L766-F858 HydrophobicContact CD2-CE2 3.91Å; L766-F858 HydrophobicContact CD2-CG 3.83Å; L766-F858 HydrophobicContact CG-CB 4.16Å; L766-F858 HydrophobicContact CG-CD2 4.27Å; L766-F858 HydrophobicContact CG-CG 4.3Å; I774-F858 HydrophobicContact CG2-CE2 3.72Å; I774-F858 HydrophobicContact CG2-CZ 3.67Å; L830-F858 HydrophobicContact CD1-CE1 3.76Å; L830-F858 HydrophobicContact CD1-CZ 3.96Å; L830-F858 HydrophobicContact CD2-CE1 3.53Å; L830-F858 HydrophobicContact CD2-CZ 4Å; L830-F858 HydrophobicContact CG-CE1 4.29Å; H837-F858 AromaticContact CD2-CE1 3.69Å; H837-F858 AromaticContact CD2-CZ 3.82Å; V855-F858 HydrophobicContact CG1-CE2 4.38Å; V855-F858 HydrophobicContact CG1-CZ 4.25Å; F858-L860 PolarHBondContact O-N 3.42Å; F858-L860 VanDerWaalsContact O-N 3.16Å; F858-A861 HydrophobicContact CB-CB 4.12Å; F858-A861 HydrophobicContact CD1-CB 3.78Å; F858-A861 HydrophobicContact CG-CB 4.42Å; F858-A861 VanDerWaalsContact O-CB 3.23Å; F858-A861 WeakPolarHBondContact O-CB 3.41Å; F858-A861 PolarHBondContact O-N 2.99Å
859	G	70.1	Confident	77	Confident	11 Å²	11	40.1 Å²	40.1	11%	0.113	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-65.2	-19.9	-176.3	0	0	0	0	0	114.7	Y726 D857	Y726-G859 VanDerWaalsContact CE2-CA 3.47Å; Y726-G859 VanDerWaalsContact CZ-C 3.49Å; Y726-G859 VanDerWaalsContact OH-C 3.3Å; Y726-G859 PolarHBondContact OH-O 3.09Å; Y726-G859 VanDerWaalsContact OH-O 3.14Å; D857-G859 VanDerWaalsContact C-N 3.32Å; D857-G859 PolarHBondContact O-N 3.31Å
860	L	73.6	Confident	75.5	Confident	51 Å²	51	43.6 Å²	43.6	27%	0.267	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-97.6	-1.5	169.5	-72.1	177.4	0	0	0	114.1	Y726 R838 D839 F858	Y726-L860 WeakPolarHBondContact OH-CD2 3.23Å; Y726-L860 WeakPolarHBondContact OH-CG 3.49Å; R838-L860 PolarHBondContact NE-O 3.49Å; R838-L860 PolarHBondContact NH2-O 3.14Å; D839-L860 HydrophobicContact CB-CB 4.33Å; D839-L860 HydrophobicContact CB-CD1 3.81Å; F858-L860 PolarHBondContact O-N 3.42Å; F858-L860 VanDerWaalsContact O-N 3.16Å
861	A	75.8	Confident	74.1	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.008	21%	0.213	C	C	.	.			trans	-66.5	149.2	179.1	0	0	0	0	0	111.8	M765 I835 L836 F858	M765-A861 HydrophobicContact CG-CB 4.08Å; I835-A861 HydrophobicContact CG2-CB 4.09Å; L836-A861 VanDerWaalsContact O-CA 3.23Å; L836-A861 WeakPolarHBondContact O-CA 3.32Å; L836-A861 WeakPolarHBondContact O-CB 3.38Å; F858-A861 HydrophobicContact CB-CB 4.12Å; F858-A861 HydrophobicContact CD1-CB 3.78Å; F858-A861 HydrophobicContact CG-CB 4.42Å; F858-A861 VanDerWaalsContact O-CB 3.23Å; F858-A861 WeakPolarHBondContact O-CB 3.41Å; F858-A861 PolarHBondContact O-N 2.99Å
862	R	77.1	Confident	72.5	Confident	40 Å²	40	42 Å²	42	15%	0.151	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.1	173.1	-81.3	-172	-177.3	-168.9	-4.7	109.8	D12 L836	D12-R862 IonicContact OD2-NH1 2.62Å; D12-R862 IonicContact OD2-NH2 2.74Å; L836-R862 PolarHBondContact N-O 3.38Å; L836-R862 PolarHBondContact O-N 3.33Å
863	E	72.5	Confident	70.6	Confident	87 Å²	87	44.2 Å²	44.2	41%	0.407	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	142.4	163.3	-71.9	177.7	-140.2	0	0	110	M765 K768 W834 I835 Y871	M765-E863 HydrophobicContact CE-CG 3.94Å; M765-E863 WeakPolarHBondContact CE-OE1 3.39Å; M765-E863 HydrophobicContact SD-CG 3.89Å; K768-E863 VanDerWaalsContact NZ-CD 3.34Å; K768-E863 IonicContact NZ-OE1 2.72Å; K768-E863 PolarHBondContact NZ-OE1 3.43Å; K768-E863 IonicContact NZ-OE2 3.57Å; K768-E863 PolarHBondContact NZ-OE2 3.03Å; W834-E863 CarbonylContact O-C 3.56Å; W834-E863 VanDerWaalsContact O-CA 3.24Å; W834-E863 WeakPolarHBondContact O-CA 3.41Å; I835-E863 HydrophobicContact CG1-CG 4.42Å; E863-Y871 PolarHBondContact O-OH 2.71Å
864	Y	72.5	Confident	68.9	Low	11 Å²	11	49.4 Å²	49.4	4%	0.043	27%	0.272	C	S	.	.			trans	-119.4	157.1	170.5	76.9	-82	0	0	0	110.4	R138 H831 W834 L836 Y871 C894	R138-Y864 PolarHBondContact NH1-OH 3.15Å; R138-Y864 VanDerWaalsContact NH1-OH 3.1Å; H831-Y864 PolarHBondContact O-OH 2.76Å; W834-Y864 HydrophobicContact CB-CD1 4.44Å; W834-Y864 HydrophobicContact CB-CE1 4.22Å; W834-Y864 HydrophobicContact CE3-CD2 4.13Å; W834-Y864 AromaticContact CE3-CE2 3.8Å; W834-Y864 HydrophobicContact CE3-CE2 3.8Å; W834-Y864 HydrophobicContact CZ3-CE2 4.29Å; W834-Y864 WeakPolarHBondContact O-CD1 3.29Å; W834-Y864 PolarHBondContact O-N 2.92Å; L836-Y864 HydrophobicContact CD1-CD1 4.44Å; L836-Y864 HydrophobicContact CD1-CG 4.42Å; L836-Y864 HydrophobicContact CD2-CD1 3.48Å; L836-Y864 VanDerWaalsContact CD2-CD1 3.48Å; L836-Y864 HydrophobicContact CD2-CE1 3.76Å; L836-Y864 HydrophobicContact CD2-CG 4.06Å; L836-Y864 HydrophobicContact CG-CD1 3.55Å; L836-Y864 HydrophobicContact CG-CE1 4.32Å; L836-Y864 HydrophobicContact CG-CG 4Å; Y864-Y871 VanDerWaalsContact CA-OH 3.28Å; Y864-Y871 WeakPolarHBondContact CA-OH 3.19Å; Y864-Y871 WeakPolarHBondContact CB-OH 3.12Å; Y864-C894 PolarHBondContact OH-SG 2.99Å
865	G	52.9	Low	67.1	Low	25 Å²	25	48.5 Å²	48.5	26%	0.258	27%	0.268	S	S	.	.			trans	-162.1	178.3	-174.1	0	0	0	0	0	112.2	P867 L868	G865-P867 CarbonylContact O-C 3.56Å; G865-P867 VanDerWaalsContact O-C 3.27Å; G865-L868 WeakPolarHBondContact O-CD2 3.35Å; G865-L868 PolarHBondContact O-N 3.31Å
866	S	49.3	Very low	65.3	Low	80 Å²	80	48.8 Å²	48.8	56%	0.559	27%	0.27	S	S	*	.	S	Bend	trans	-105.7	127.9	170	173.4	0	0	0	0	109.2
867	P	48.3	Very low	64.7	Low	110 Å²	110	50.9 Å²	50.9	71%	0.714	28%	0.281	S	S	*	.	S	Bend	cis	-72.3	152.9	0.9	31.3	-36.1	0	0	0	113	G865 K869	G865-P867 CarbonylContact O-C 3.56Å; G865-P867 VanDerWaalsContact O-C 3.27Å; P867-K869 PolarHBondContact O-N 2.69Å; P867-K869 VanDerWaalsContact O-N 3.14Å
868	L	60.3	Low	65.1	Low	49 Å²	49	50.3 Å²	50.3	26%	0.257	28%	0.278	S	S	.	.			trans	-65.9	112.1	176.9	-69.4	176.5	0	0	0	110.9	Y131 G865 Q891 T893	Y131-L868 HydrophobicContact CE1-CD1 4.45Å; G865-L868 WeakPolarHBondContact O-CD2 3.35Å; G865-L868 PolarHBondContact O-N 3.31Å; L868-Q891 PolarHBondContact O-NE2 3.19Å; L868-Q891 VanDerWaalsContact O-NE2 3.15Å; L868-T893 HydrophobicContact CD1-CG2 3.59Å; L868-T893 HydrophobicContact CD2-CG2 3.33Å; L868-T893 HydrophobicContact CG-CG2 4.12Å
869	K	56.4	Low	65.9	Low	101 Å²	101	54.7 Å²	54.7	44%	0.439	29%	0.294	S	S	.	.			trans	-70.6	158	174.7	-69.1	-176.2	171.6	-177.5	0	110.8	D9 P867 Y871	D9-K869 IonicContact OD1-NZ 3.07Å; D9-K869 PolarHBondContact OD1-NZ 3.16Å; D9-K869 IonicContact OD2-NZ 2.88Å; D9-K869 PolarHBondContact OD2-NZ 3.38Å; P867-K869 PolarHBondContact O-N 2.69Å; P867-K869 VanDerWaalsContact O-N 3.14Å; K869-Y871 HydrophobicContact CB-CE1 4.19Å
870	H	57.1	Low	67.1	Low	127 Å²	127	54.5 Å²	54.5	59%	0.588	29%	0.29	S	S	*	.			trans	-72.6	138.4	166.4	-66.4	84.1	0	0	0	108.6
871	Y	60.1	Low	68.2	Low	21 Å²	21	53 Å²	53	8%	0.082	28%	0.281	C	S	.	.			trans	-123.7	161.7	176.9	-58.4	-63.2	0	0	0	111	E863 Y864 K869 E873 K890 Y892	E863-Y871 PolarHBondContact O-OH 2.71Å; Y864-Y871 VanDerWaalsContact CA-OH 3.28Å; Y864-Y871 WeakPolarHBondContact CA-OH 3.19Å; Y864-Y871 WeakPolarHBondContact CB-OH 3.12Å; K869-Y871 HydrophobicContact CB-CE1 4.19Å; Y871-E873 PolarHBondContact O-N 3.28Å; Y871-K890 PolarHBondContact N-O 3.04Å; Y871-Y892 VanDerWaalsContact CB-OH 3.25Å; Y871-Y892 WeakPolarHBondContact CB-OH 3.29Å; Y871-Y892 AromaticContact CD2-CD2 3.82Å; Y871-Y892 HydrophobicContact CD2-CD2 3.82Å; Y871-Y892 HydrophobicContact CD2-CE1 4.49Å; Y871-Y892 AromaticContact CD2-CE2 3.7Å; Y871-Y892 HydrophobicContact CD2-CE2 3.7Å; Y871-Y892 HydrophobicContact CD2-CG 4.3Å; Y871-Y892 WeakPolarHBondContact CE2-O 3.39Å; Y871-Y892 AromaticContact CG-CE2 3.99Å; Y871-Y892 HydrophobicContact CG-CE2 3.99Å
872	T	60.7	Low	69.1	Low	59 Å²	59	52.9 Å²	52.9	36%	0.362	28%	0.281	S	S	.	.			trans	-57.9	126.6	176.4	49.8	0	0	0	0	111.6	R838 V875 Y892	R838-T872 PolarHBondContact NH1-OG1 2.76Å; T872-V875 WeakPolarHBondContact OG1-CG1 3.22Å; T872-Y892 PolarHBondContact O-OH 3.1Å
873	E	55.2	Low	70	Confident	76 Å²	76	51 Å²	51	36%	0.355	27%	0.273	S	S	.	.	S	Bend	trans	-67.2	-40.8	-177.6	-66.8	177.6	-168.1	0	0	112.7	Y871 V875 K890	Y871-E873 PolarHBondContact O-N 3.28Å; E873-V875 VanDerWaalsContact C-N 3.35Å; E873-V875 PolarHBondContact O-N 2.88Å; E873-K890 HydrophobicContact CG-CG 4.04Å; E873-K890 WeakPolarHBondContact OE1-CE 3.19Å; E873-K890 WeakPolarHBondContact OE1-CG 3.39Å
874	V	60.5	Low	71	Confident	110 Å²	110	47.1 Å²	47.1	67%	0.667	26%	0.255	S	S	*	.	S	Bend	trans	-85	75.9	-176.5	-169.1	0	0	0	0	110.6
875	V	58.5	Low	72	Confident	5 Å²	5	47 Å²	47	3%	0.03	26%	0.255	C	S	.	.			trans	-129.6	167.4	171.5	-63	0	0	0	0	110.7	R838 T872 E873 R881 L885 Y892	R838-V875 HydrophobicContact CB-CB 4.4Å; R838-V875 HydrophobicContact CB-CG2 4.42Å; T872-V875 WeakPolarHBondContact OG1-CG1 3.22Å; E873-V875 VanDerWaalsContact C-N 3.35Å; E873-V875 PolarHBondContact O-N 2.88Å; V875-R881 PolarHBondContact O-NE 3.32Å; V875-R881 PolarHBondContact O-NH2 2.95Å; V875-L885 HydrophobicContact CG2-CD1 4.21Å; V875-Y892 HydrophobicContact CG2-CE1 4.47Å; V875-Y892 VanDerWaalsContact CG2-OH 3.28Å; V875-Y892 WeakPolarHBondContact CG2-OH 3.47Å
876	V	59.2	Low	73.9	Confident	6 Å²	6	46.4 Å²	46.4	4%	0.036	25%	0.246	C	C	.	.	S	Bend	trans	63.6	135.3	-168	-160.2	0	0	0	0	112.8	R838 L878 R881 L885	R838-V876 WeakPolarHBondContact O-CA 3.33Å; R838-V876 WeakPolarHBondContact O-CG2 3.38Å; R838-V876 PolarHBondContact O-N 2.86Å; V876-L878 PolarHBondContact O-N 3.12Å; V876-R881 HydrophobicContact CB-CB 4.12Å; V876-R881 HydrophobicContact CB-CG 4.24Å; V876-R881 HydrophobicContact CG1-CB 4.41Å; V876-R881 PolarHBondContact O-NE 2.74Å; V876-R881 PolarHBondContact O-NH2 3.08Å; V876-L885 HydrophobicContact CG2-CD1 3.96Å
877	T	76.2	Confident	75.9	Confident	51 Å²	51	42.6 Å²	42.6	31%	0.313	22%	0.219	S	C	.	.			trans	-56.6	131.9	166.5	-60.3	0	0	0	0	110.5	D839 K841 W879 Y880 R881	D839-T877 WeakPolarHBondContact OD1-CB 3.47Å; D839-T877 PolarHBondContact OD1-N 3.48Å; D839-T877 PolarHBondContact OD1-OG1 3.41Å; K841-T877 HydrophobicContact CD-CG2 4.24Å; K841-T877 WeakPolarHBondContact CD-OG1 3.34Å; K841-T877 PolarHBondContact NZ-OG1 3.3Å; T877-W879 VanDerWaalsContact C-N 3.33Å; T877-W879 PolarHBondContact O-N 3.49Å; T877-Y880 HydrophobicContact CG2-CD2 4.39Å; T877-Y880 PolarHBondContact O-N 2.98Å; T877-R881 PolarHBondContact O-N 3.02Å
878	L	91.1	Very high	77.7	Confident	35 Å²	35	37.9 Å²	37.9	18%	0.183	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-45.1	-48.5	-162.9	-177.2	63.3	0	0	0	115	V876 Y880 R881 L886 E920 E923	V876-L878 PolarHBondContact O-N 3.12Å; L878-Y880 PolarHBondContact O-N 2.97Å; L878-Y880 VanDerWaalsContact O-N 3.11Å; L878-R881 VanDerWaalsContact O-CB 3.29Å; L878-R881 WeakPolarHBondContact O-CB 3.5Å; L878-R881 PolarHBondContact O-N 2.89Å; L878-L886 HydrophobicContact CD1-CD2 3.81Å; L878-E920 HydrophobicContact CD1-CG 4.04Å; L878-E923 HydrophobicContact CD1-CB 3.91Å; L878-E923 HydrophobicContact CD1-CG 3.88Å; L878-E923 HydrophobicContact CD2-CB 4.43Å; L878-E923 HydrophobicContact CG-CB 4.12Å; L878-E923 HydrophobicContact CG-CG 3.99Å
879	W	95.9	Very high	78.9	Confident	92 Å²	92	37.1 Å²	37.1	35%	0.348	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-66	-10.6	-175.4	-56.8	-16.7	0	0	0	116	T877 P913 F915 P916 G917	T877-W879 VanDerWaalsContact C-N 3.33Å; T877-W879 PolarHBondContact O-N 3.49Å; W879-P913 HydrophobicContact CD2-CB 4.41Å; W879-P913 HydrophobicContact CE3-CB 3.84Å; W879-P913 HydrophobicContact CE3-CG 3.59Å; W879-P913 HydrophobicContact CZ3-CB 4.33Å; W879-P913 HydrophobicContact CZ3-CG 3.63Å; W879-F915 VanDerWaalsContact CA-O 3.3Å; W879-F915 WeakPolarHBondContact CA-O 3.15Å; W879-F915 WeakPolarHBondContact CB-O 3.32Å; W879-F915 VanDerWaalsContact CD1-O 3.24Å; W879-F915 VanDerWaalsContact CG-O 3.28Å; W879-P916 HydrophobicContact CD2-CB 4.49Å; W879-P916 HydrophobicContact CZ2-CB 4.35Å; W879-G917 PolarHBondContact NE1-O 3.11Å
880	Y	96.7	Very high	79.9	Confident	8 Å²	8	37.6 Å²	37.6	3%	0.031	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-118.1	2.1	178	-50.1	-93.4	0	0	0	111.1	L840 K841 T842 T877 L878 S900 C903 I904 E907	L840-Y880 WeakPolarHBondContact O-CB 3.17Å; K841-Y880 HydrophobicContact CB-CD1 4.42Å; K841-Y880 HydrophobicContact CB-CD2 3.63Å; K841-Y880 HydrophobicContact CB-CE1 4.33Å; K841-Y880 HydrophobicContact CB-CE2 3.51Å; K841-Y880 HydrophobicContact CB-CG 4.11Å; T842-Y880 PolarHBondContact OG1-OH 2.68Å; T877-Y880 HydrophobicContact CG2-CD2 4.39Å; T877-Y880 PolarHBondContact O-N 2.98Å; L878-Y880 PolarHBondContact O-N 2.97Å; L878-Y880 VanDerWaalsContact O-N 3.11Å; Y880-S900 PolarHBondContact O-OG 3.4Å; Y880-S900 VanDerWaalsContact O-OG 3.12Å; Y880-C903 HydrophobicContact CD1-CB 3.77Å; Y880-C903 HydrophobicContact CE1-CB 4.45Å; Y880-I904 HydrophobicContact CD1-CG1 3.91Å; Y880-I904 HydrophobicContact CE1-CG1 3.86Å; Y880-E907 PolarHBondContact OH-OE2 3.34Å
881	R	95.3	Very high	81	Confident	18 Å²	18	36.4 Å²	36.4	7%	0.068	19%	0.185	C	C	.	.			trans	-75.5	131.1	-174.6	-170	-178.7	-65.1	169.6	0.8	110.9	V875 V876 T877 L878 L885 L886 W899 E920	V875-R881 PolarHBondContact O-NE 3.32Å; V875-R881 PolarHBondContact O-NH2 2.95Å; V876-R881 HydrophobicContact CB-CB 4.12Å; V876-R881 HydrophobicContact CB-CG 4.24Å; V876-R881 HydrophobicContact CG1-CB 4.41Å; V876-R881 PolarHBondContact O-NE 2.74Å; V876-R881 PolarHBondContact O-NH2 3.08Å; T877-R881 PolarHBondContact O-N 3.02Å; L878-R881 VanDerWaalsContact O-CB 3.29Å; L878-R881 WeakPolarHBondContact O-CB 3.5Å; L878-R881 PolarHBondContact O-N 2.89Å; R881-L885 HydrophobicContact CG-CB 3.75Å; R881-L885 HydrophobicContact CG-CD1 3.89Å; R881-L885 HydrophobicContact CG-CG 4.47Å; R881-L886 HydrophobicContact CB-CG 4.36Å; R881-L886 HydrophobicContact CG-CD2 4.38Å; R881-L886 HydrophobicContact CG-CG 4.08Å; R881-W899 PolarHBondContact O-NE1 2.94Å; R881-E920 IonicContact CZ-OE1 3.32Å; R881-E920 IonicContact NH1-OE1 2.75Å; R881-E920 PolarHBondContact NH1-OE1 3.2Å
882	A	96	Very high	82.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.			trans	-67.1	147.2	179.4	0	0	0	0	0	112.5	E884 L885 L886 I896 W899	A882-E884 VanDerWaalsContact C-N 3.26Å; A882-E884 VanDerWaalsContact CB-CD 3.48Å; A882-E884 HydrophobicContact CB-CG 4.36Å; A882-E884 WeakPolarHBondContact CB-OE1 3.24Å; A882-E884 WeakPolarHBondContact CB-OE2 3.16Å; A882-E884 PolarHBondContact O-N 3.31Å; A882-L885 HydrophobicContact CB-CD1 4.44Å; A882-L885 WeakPolarHBondContact O-CB 3.44Å; A882-L885 PolarHBondContact O-N 3.31Å; A882-L886 PolarHBondContact O-N 2.77Å; A882-I896 HydrophobicContact CB-CB 4.21Å; A882-I896 HydrophobicContact CB-CG2 4.19Å; A882-W899 HydrophobicContact CB-CB 3.82Å; A882-W899 HydrophobicContact CB-CD2 4.4Å; A882-W899 HydrophobicContact CB-CG 3.8Å
883	P	95.3	Very high	83.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-31.1	-175.6	25.3	-34.7	0	0	0	112.5	L885 L886 L887 W899 L924 W939 Y984	P883-L885 VanDerWaalsContact C-N 3.3Å; P883-L885 PolarHBondContact O-N 2.96Å; P883-L886 PolarHBondContact O-N 2.85Å; P883-L887 VanDerWaalsContact O-CB 3.27Å; P883-L887 WeakPolarHBondContact O-CB 3.34Å; P883-L887 WeakPolarHBondContact O-CG 3.41Å; P883-L887 PolarHBondContact O-N 2.83Å; P883-W899 HydrophobicContact CG-CE3 4.14Å; P883-W899 HydrophobicContact CG-CH2 3.84Å; P883-W899 HydrophobicContact CG-CZ2 4.28Å; P883-W899 HydrophobicContact CG-CZ3 3.77Å; P883-L924 HydrophobicContact CB-CD2 4.42Å; P883-W939 HydrophobicContact CB-CH2 4.45Å; P883-W939 HydrophobicContact CB-CZ3 4.19Å; P883-W939 HydrophobicContact CG-CZ3 4.36Å; P883-Y984 HydrophobicContact CB-CD1 4.19Å; P883-Y984 HydrophobicContact CB-CE1 4.31Å; P883-Y984 HydrophobicContact CG-CD1 3.87Å; P883-Y984 HydrophobicContact CG-CE1 4.33Å
884	E	94	Very high	85.4	Confident	6 Å²	6	31.3 Å²	31.3	3%	0.028	16%	0.161	C	C	.	.	H	α-helix	trans	-63.7	-32.3	174.6	63.6	-88.6	-154.3	0	0	113.5	A882 G888 T889 I896 W939 P986 R989	A882-E884 VanDerWaalsContact C-N 3.26Å; A882-E884 VanDerWaalsContact CB-CD 3.48Å; A882-E884 HydrophobicContact CB-CG 4.36Å; A882-E884 WeakPolarHBondContact CB-OE1 3.24Å; A882-E884 WeakPolarHBondContact CB-OE2 3.16Å; A882-E884 PolarHBondContact O-N 3.31Å; E884-G888 PolarHBondContact O-N 3Å; E884-T889 WeakPolarHBondContact O-CB 3.46Å; E884-T889 PolarHBondContact O-N 3.1Å; E884-T889 PolarHBondContact O-OG1 2.94Å; E884-I896 HydrophobicContact CG-CG2 4.34Å; E884-W939 HydrophobicContact CB-CH2 3.85Å; E884-W939 HydrophobicContact CB-CZ2 3.82Å; E884-P986 HydrophobicContact CB-CG 4.15Å; E884-P986 HydrophobicContact CG-CG 3.97Å; E884-R989 IonicContact OE1-CZ 2.68Å; E884-R989 IonicContact OE1-NH1 2.94Å; E884-R989 PolarHBondContact OE1-NH1 3.19Å; E884-R989 IonicContact OE1-NH2 3.32Å; E884-R989 PolarHBondContact OE1-NH2 3.39Å; E884-R989 IonicContact OE2-CZ 2.69Å; E884-R989 IonicContact OE2-NH1 2.71Å; E884-R989 IonicContact OE2-NH2 3.2Å; E884-R989 PolarHBondContact OE2-NH2 2.78Å
885	L	92.4	Very high	87	Confident	7 Å²	7	27 Å²	27	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-74	-46.6	174.3	-63	175	0	0	0	110.3	V875 V876 R881 A882 P883 L887 G888 Y892 I896	V875-L885 HydrophobicContact CG2-CD1 4.21Å; V876-L885 HydrophobicContact CG2-CD1 3.96Å; R881-L885 HydrophobicContact CG-CB 3.75Å; R881-L885 HydrophobicContact CG-CD1 3.89Å; R881-L885 HydrophobicContact CG-CG 4.47Å; A882-L885 HydrophobicContact CB-CD1 4.44Å; A882-L885 WeakPolarHBondContact O-CB 3.44Å; A882-L885 PolarHBondContact O-N 3.31Å; P883-L885 VanDerWaalsContact C-N 3.3Å; P883-L885 PolarHBondContact O-N 2.96Å; L885-L887 PolarHBondContact O-N 3.07Å; L885-G888 PolarHBondContact O-N 3.04Å; L885-Y892 HydrophobicContact CD2-CD1 3.21Å; L885-Y892 HydrophobicContact CD2-CD2 4.45Å; L885-Y892 HydrophobicContact CD2-CE1 3.43Å; L885-Y892 VanDerWaalsContact CD2-CE1 3.43Å; L885-Y892 HydrophobicContact CD2-CG 3.74Å; L885-I896 HydrophobicContact CD1-CB 4.11Å; L885-I896 HydrophobicContact CD1-CD1 4.23Å; L885-I896 HydrophobicContact CD1-CG2 4.01Å; L885-I896 HydrophobicContact CD2-CG2 4.31Å; L885-I896 HydrophobicContact CG-CG2 4.06Å
886	L	92.9	Very high	88.8	Confident	13 Å²	13	26.8 Å²	26.8	7%	0.068	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-27.4	174.9	-69.6	166.4	0	0	0	112.8	L878 R881 A882 P883 E920 E923 L924 I927	L878-L886 HydrophobicContact CD1-CD2 3.81Å; R881-L886 HydrophobicContact CB-CG 4.36Å; R881-L886 HydrophobicContact CG-CD2 4.38Å; R881-L886 HydrophobicContact CG-CG 4.08Å; A882-L886 PolarHBondContact O-N 2.77Å; P883-L886 PolarHBondContact O-N 2.85Å; L886-E920 HydrophobicContact CD2-CB 3.81Å; L886-E920 HydrophobicContact CD2-CG 3.89Å; L886-E923 HydrophobicContact CD1-CB 4.34Å; L886-E923 HydrophobicContact CD1-CG 3.74Å; L886-E923 HydrophobicContact CD2-CB 4.46Å; L886-E923 HydrophobicContact CD2-CG 4.34Å; L886-L924 HydrophobicContact CB-CD1 4.05Å; L886-L924 HydrophobicContact CB-CD2 3.72Å; L886-L924 HydrophobicContact CB-CG 3.85Å; L886-L924 HydrophobicContact CD1-CD2 3.94Å; L886-L924 HydrophobicContact CD1-CG 4.1Å; L886-L924 HydrophobicContact CG-CD2 4.46Å; L886-L924 HydrophobicContact CG-CG 4.48Å; L886-I927 HydrophobicContact CD1-CD1 3.79Å
887	L	92.2	Very high	90.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	6.5	176.9	-65.7	176.5	0	0	0	114.1	P883 L885 L924 W939 L945 P946 G947 I948	P883-L887 VanDerWaalsContact O-CB 3.27Å; P883-L887 WeakPolarHBondContact O-CB 3.34Å; P883-L887 WeakPolarHBondContact O-CG 3.41Å; P883-L887 PolarHBondContact O-N 2.83Å; L885-L887 PolarHBondContact O-N 3.07Å; L887-L924 HydrophobicContact CD2-CD1 3.67Å; L887-L924 HydrophobicContact CD2-CD2 4.25Å; L887-L924 HydrophobicContact CG-CD1 4.35Å; L887-L924 HydrophobicContact CG-CD2 4.19Å; L887-W939 HydrophobicContact CD1-CH2 3.9Å; L887-W939 HydrophobicContact CD1-CZ3 3.77Å; L887-L945 HydrophobicContact CB-CB 4.17Å; L887-L945 HydrophobicContact CB-CD1 3.96Å; L887-L945 HydrophobicContact CD1-CD1 3.88Å; L887-P946 WeakPolarHBondContact O-CD 3.44Å; L887-G947 PolarHBondContact O-N 3.03Å; L887-I948 HydrophobicContact CD1-CD1 3.74Å; L887-I948 HydrophobicContact CD1-CG1 4.19Å; L887-I948 HydrophobicContact CD2-CD1 4.31Å; L887-I948 HydrophobicContact CD2-CG1 3.82Å
888	G	86.2	Confident	91.7	Very high	12 Å²	12	24.1 Å²	24.1	12%	0.124	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	30.7	170.9	0	0	0	0	0	115.1	E884 L885 K890	E884-G888 PolarHBondContact O-N 3Å; L885-G888 PolarHBondContact O-N 3.04Å; G888-K890 PolarHBondContact O-N 3.36Å
889	T	84.6	Confident	92	Very high	33 Å²	33	22.4 Å²	22.4	20%	0.202	11%	0.109	C	C	.	.			trans	-76.8	115.3	172.8	-50.7	0	0	0	0	110	E884 Q891	E884-T889 WeakPolarHBondContact O-CB 3.46Å; E884-T889 PolarHBondContact O-N 3.1Å; E884-T889 PolarHBondContact O-OG1 2.94Å; T889-Q891 VanDerWaalsContact CG2-O 3.3Å; T889-Q891 WeakPolarHBondContact CG2-O 3.3Å
890	K	76.9	Confident	92.1	Very high	111 Å²	111	18 Å²	18	48%	0.483	9%	0.092	S	C	.	.	S	Bend	trans	-82.2	-20.9	-178	-65.6	-176.4	172.5	-173.8	0	115.1	Y871 E873 G888	Y871-K890 PolarHBondContact N-O 3.04Å; E873-K890 HydrophobicContact CG-CG 4.04Å; E873-K890 WeakPolarHBondContact OE1-CE 3.19Å; E873-K890 WeakPolarHBondContact OE1-CG 3.39Å; G888-K890 PolarHBondContact O-N 3.36Å
891	Q	81.4	Confident	92.2	Very high	102 Å²	102	17.7 Å²	17.7	48%	0.477	9%	0.091	S	C	.	.	S	Bend	trans	-110.1	110.6	178.7	-71.3	179.1	-43.2	0	0	108.3	L868 T889	L868-Q891 PolarHBondContact O-NE2 3.19Å; L868-Q891 VanDerWaalsContact O-NE2 3.15Å; T889-Q891 VanDerWaalsContact CG2-O 3.3Å; T889-Q891 WeakPolarHBondContact CG2-O 3.3Å
892	Y	85.4	Confident	92.4	Very high	7 Å²	7	16.8 Å²	16.8	3%	0.027	9%	0.088	C	C	.	.			trans	-139.6	159.4	-174.9	54.6	-111	0	0	0	111.5	L836 R838 Y871 T872 V875 L885 I896	L836-Y892 HydrophobicContact CD1-CD2 4.12Å; L836-Y892 HydrophobicContact CD1-CE2 4.3Å; R838-Y892 PolarHBondContact NH1-OH 2.91Å; Y871-Y892 VanDerWaalsContact CB-OH 3.25Å; Y871-Y892 WeakPolarHBondContact CB-OH 3.29Å; Y871-Y892 AromaticContact CD2-CD2 3.82Å; Y871-Y892 HydrophobicContact CD2-CD2 3.82Å; Y871-Y892 HydrophobicContact CD2-CE1 4.49Å; Y871-Y892 AromaticContact CD2-CE2 3.7Å; Y871-Y892 HydrophobicContact CD2-CE2 3.7Å; Y871-Y892 HydrophobicContact CD2-CG 4.3Å; Y871-Y892 WeakPolarHBondContact CE2-O 3.39Å; Y871-Y892 AromaticContact CG-CE2 3.99Å; Y871-Y892 HydrophobicContact CG-CE2 3.99Å; T872-Y892 PolarHBondContact O-OH 3.1Å; V875-Y892 HydrophobicContact CG2-CE1 4.47Å; V875-Y892 VanDerWaalsContact CG2-OH 3.28Å; V875-Y892 WeakPolarHBondContact CG2-OH 3.47Å; L885-Y892 HydrophobicContact CD2-CD1 3.21Å; L885-Y892 HydrophobicContact CD2-CD2 4.45Å; L885-Y892 HydrophobicContact CD2-CE1 3.43Å; L885-Y892 VanDerWaalsContact CD2-CE1 3.43Å; L885-Y892 HydrophobicContact CD2-CG 3.74Å; Y892-I896 HydrophobicContact CD2-CD1 3.51Å; Y892-I896 HydrophobicContact CE2-CD1 3.68Å; Y892-I896 HydrophobicContact CG-CD1 4.28Å
893	T	88.1	Confident	92.5	Very high	27 Å²	27	16.9 Å²	16.9	17%	0.166	9%	0.088	C	C	.	.			trans	-140.5	-164.1	-173	63	0	0	0	0	111	L868 P895 I896	L868-T893 HydrophobicContact CD1-CG2 3.59Å; L868-T893 HydrophobicContact CD2-CG2 3.33Å; L868-T893 HydrophobicContact CG-CG2 4.12Å; T893-P895 VanDerWaalsContact C-N 3.29Å; T893-P895 VanDerWaalsContact O-CD 3.26Å; T893-P895 WeakPolarHBondContact O-CD 3.5Å; T893-P895 WeakPolarHBondContact OG1-CD 3.43Å; T893-I896 PolarHBondContact O-N 3.46Å
894	C	93.4	Very high	92.6	Very high	14 Å²	14	16.9 Å²	16.9	10%	0.095	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-34.7	-42.5	176.8	-61.9	0	0	0	0	117.3	H831 Y864 I896 D897 L898	H831-C894 VanDerWaalsContact CE1-CB 3.46Å; H831-C894 WeakPolarHBondContact CE1-CB 3.4Å; H831-C894 PolarHBondContact CE1-O 2.92Å; H831-C894 VanDerWaalsContact CE1-O 3.31Å; H831-C894 VanDerWaalsContact CG-SG 3.56Å; H831-C894 VanDerWaalsContact ND1-CB 3.33Å; H831-C894 WeakPolarHBondContact ND1-CB 3.47Å; H831-C894 PolarHBondContact ND1-SG 2.89Å; Y864-C894 PolarHBondContact OH-SG 2.99Å; C894-I896 PolarHBondContact O-N 3.45Å; C894-D897 PolarHBondContact O-N 2.65Å; C894-D897 VanDerWaalsContact O-N 3.1Å; C894-L898 WeakPolarHBondContact O-CD2 2.94Å
895	P	95.7	Very high	92.8	Very high	19 Å²	19	16.6 Å²	16.6	12%	0.123	9%	0.087	C	C	.	.	H	α-helix	trans	-57	-24.5	-173.5	-29.1	38.6	0	0	0	115.4	T893 D897 L898 W899 P986 R989	T893-P895 VanDerWaalsContact C-N 3.29Å; T893-P895 VanDerWaalsContact O-CD 3.26Å; T893-P895 WeakPolarHBondContact O-CD 3.5Å; T893-P895 WeakPolarHBondContact OG1-CD 3.43Å; P895-D897 VanDerWaalsContact C-N 3.33Å; P895-D897 PolarHBondContact O-N 3Å; P895-L898 PolarHBondContact O-N 2.84Å; P895-W899 PolarHBondContact O-N 2.89Å; P895-P986 HydrophobicContact CB-CB 3.93Å; P895-P986 HydrophobicContact CG-CB 4.09Å; P895-P986 WeakPolarHBondContact CG-O 3.45Å; P895-R989 VanDerWaalsContact C-NH1 3.26Å; P895-R989 HydrophobicContact CB-CB 4.33Å; P895-R989 WeakPolarHBondContact O-CD 3.45Å; P895-R989 PolarHBondContact O-NH1 2.68Å
896	I	95.5	Very high	93.1	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-65.1	-37.1	178.7	71.1	178.4	0	0	0	112.1	R838 A882 E884 L885 Y892 T893 C894 L898 S900	R838-I896 HydrophobicContact CG-CD1 4.13Å; A882-I896 HydrophobicContact CB-CB 4.21Å; A882-I896 HydrophobicContact CB-CG2 4.19Å; E884-I896 HydrophobicContact CG-CG2 4.34Å; L885-I896 HydrophobicContact CD1-CB 4.11Å; L885-I896 HydrophobicContact CD1-CD1 4.23Å; L885-I896 HydrophobicContact CD1-CG2 4.01Å; L885-I896 HydrophobicContact CD2-CG2 4.31Å; L885-I896 HydrophobicContact CG-CG2 4.06Å; Y892-I896 HydrophobicContact CD2-CD1 3.51Å; Y892-I896 HydrophobicContact CE2-CD1 3.68Å; Y892-I896 HydrophobicContact CG-CD1 4.28Å; T893-I896 PolarHBondContact O-N 3.46Å; C894-I896 PolarHBondContact O-N 3.45Å; I896-L898 VanDerWaalsContact C-N 3.34Å; I896-S900 PolarHBondContact O-N 2.89Å; I896-S900 PolarHBondContact O-OG 3.02Å
897	D	97.1	Very high	93.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-70.5	-36.2	176.7	-71	-28.2	0	0	0	109.5	V827 H831 H837 R838 L840 C894 P895 S900 V901	V827-D897 HydrophobicContact CG1-CB 4.38Å; H831-D897 IonicContact CD2-OD2 2.76Å; H831-D897 IonicContact CE1-OD2 2.81Å; H831-D897 IonicContact NE2-OD2 2.7Å; H831-D897 PolarHBondContact NE2-OD2 2.7Å; H837-D897 PolarHBondContact N-OD2 2.89Å; R838-D897 PolarHBondContact N-OD1 3.1Å; L840-D897 HydrophobicContact CD1-CB 3.77Å; C894-D897 PolarHBondContact O-N 2.65Å; C894-D897 VanDerWaalsContact O-N 3.1Å; P895-D897 VanDerWaalsContact C-N 3.33Å; P895-D897 PolarHBondContact O-N 3Å; D897-S900 WeakPolarHBondContact O-CA 3.33Å; D897-S900 VanDerWaalsContact O-CB 3.28Å; D897-S900 WeakPolarHBondContact O-CB 3.24Å; D897-S900 PolarHBondContact O-N 3.07Å; D897-V901 WeakPolarHBondContact O-CG2 3.3Å; D897-V901 PolarHBondContact O-N 3.17Å
898	L	98.4	Very high	93.5	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-72	-30.2	178.6	-78	-50.7	0	0	0	113.2	L824 V827 H831 C894 P895 I896 S900 V901 G902 F981 I990 A992	L824-L898 HydrophobicContact CD2-CD1 4.13Å; V827-L898 HydrophobicContact CG1-CD1 4.28Å; V827-L898 HydrophobicContact CG1-CD2 4.07Å; H831-L898 WeakPolarHBondContact CE1-CD2 3.49Å; C894-L898 WeakPolarHBondContact O-CD2 2.94Å; P895-L898 PolarHBondContact O-N 2.84Å; I896-L898 VanDerWaalsContact C-N 3.34Å; L898-S900 VanDerWaalsContact C-N 3.33Å; L898-V901 HydrophobicContact CD1-CB 4.47Å; L898-V901 HydrophobicContact CD1-CG2 4.41Å; L898-V901 PolarHBondContact O-N 3.45Å; L898-G902 PolarHBondContact O-N 3.46Å; L898-F981 HydrophobicContact CB-CD1 4.32Å; L898-F981 HydrophobicContact CD1-CD1 4.23Å; L898-F981 HydrophobicContact CD1-CE1 3.94Å; L898-I990 WeakPolarHBondContact CG-O 3.19Å; L898-A992 HydrophobicContact CD1-CB 4.2Å
899	W	98.4	Very high	93.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.7	-43.5	167.1	178.2	-83	0	0	0	111.2	R881 A882 P883 P895 V901 G902 C903 F915 I927 L931 L982	R881-W899 PolarHBondContact O-NE1 2.94Å; A882-W899 HydrophobicContact CB-CB 3.82Å; A882-W899 HydrophobicContact CB-CD2 4.4Å; A882-W899 HydrophobicContact CB-CG 3.8Å; P883-W899 HydrophobicContact CG-CE3 4.14Å; P883-W899 HydrophobicContact CG-CH2 3.84Å; P883-W899 HydrophobicContact CG-CZ2 4.28Å; P883-W899 HydrophobicContact CG-CZ3 3.77Å; P895-W899 PolarHBondContact O-N 2.89Å; W899-V901 VanDerWaalsContact C-N 3.33Å; W899-V901 PolarHBondContact O-N 2.91Å; W899-G902 PolarHBondContact O-N 3.12Å; W899-G902 VanDerWaalsContact O-N 3.12Å; W899-C903 PolarHBondContact NE1-SG 3.33Å; W899-C903 PolarHBondContact O-N 3.33Å; W899-C903 PolarHBondContact O-SG 3.46Å; W899-F915 HydrophobicContact CZ2-CD2 4.39Å; W899-F915 AromaticContact CZ2-CE2 3.73Å; W899-F915 HydrophobicContact CZ2-CE2 3.73Å; W899-I927 HydrophobicContact CH2-CG2 3.82Å; W899-I927 HydrophobicContact CZ2-CD1 3.98Å; W899-I927 HydrophobicContact CZ2-CG1 4.22Å; W899-I927 HydrophobicContact CZ2-CG2 3.98Å; W899-L931 HydrophobicContact CH2-CD1 3.57Å; W899-L931 HydrophobicContact CZ3-CD1 4.17Å; W899-L982 HydrophobicContact CD2-CD2 3.98Å; W899-L982 HydrophobicContact CE3-CD2 4.09Å; W899-L982 HydrophobicContact CH2-CD2 4.36Å; W899-L982 HydrophobicContact CZ2-CD2 4.23Å; W899-L982 HydrophobicContact CZ3-CB 4.26Å; W899-L982 HydrophobicContact CZ3-CD2 4.29Å; W899-L982 WeakPolarHBondContact CZ3-O 3.44Å
900	S	98.2	Very high	94.4	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61	-42.4	176.3	-50	0	0	0	0	111.1	Y880 I896 D897 L898 G902 C903 I904	Y880-S900 PolarHBondContact O-OG 3.4Å; Y880-S900 VanDerWaalsContact O-OG 3.12Å; I896-S900 PolarHBondContact O-N 2.89Å; I896-S900 PolarHBondContact O-OG 3.02Å; D897-S900 WeakPolarHBondContact O-CA 3.33Å; D897-S900 VanDerWaalsContact O-CB 3.28Å; D897-S900 WeakPolarHBondContact O-CB 3.24Å; D897-S900 PolarHBondContact O-N 3.07Å; L898-S900 VanDerWaalsContact C-N 3.33Å; S900-G902 PolarHBondContact O-N 3.39Å; S900-C903 WeakPolarHBondContact O-CB 3.47Å; S900-C903 PolarHBondContact O-N 3.13Å; S900-I904 WeakPolarHBondContact O-CD1 3.28Å; S900-I904 VanDerWaalsContact O-CG1 3.28Å; S900-I904 WeakPolarHBondContact O-CG1 3.25Å; S900-I904 PolarHBondContact O-N 2.8Å
901	V	98.7	Very high	95.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.2	-42	172	171.6	0	0	0	0	111.8	L820 L823 L824 V827 L840 D897 L898 W899 C903 I904 F905 F981	L820-V901 HydrophobicContact CD1-CG1 3.75Å; L823-V901 HydrophobicContact CD2-CG1 4.22Å; L823-V901 HydrophobicContact CD2-CG2 4.07Å; L823-V901 HydrophobicContact CG-CG2 4.16Å; L824-V901 HydrophobicContact CD2-CG1 4.04Å; V827-V901 HydrophobicContact CG2-CG2 4.06Å; L840-V901 HydrophobicContact CD1-CG2 4.06Å; D897-V901 WeakPolarHBondContact O-CG2 3.3Å; D897-V901 PolarHBondContact O-N 3.17Å; L898-V901 HydrophobicContact CD1-CB 4.47Å; L898-V901 HydrophobicContact CD1-CG2 4.41Å; L898-V901 PolarHBondContact O-N 3.45Å; W899-V901 VanDerWaalsContact C-N 3.33Å; W899-V901 PolarHBondContact O-N 2.91Å; V901-C903 VanDerWaalsContact C-N 3.35Å; V901-C903 PolarHBondContact O-N 3.41Å; V901-I904 PolarHBondContact O-N 2.86Å; V901-F905 WeakPolarHBondContact O-CB 3.4Å; V901-F905 PolarHBondContact O-N 3.49Å; V901-F981 HydrophobicContact CG1-CD1 4.48Å; V901-F981 HydrophobicContact CG1-CE1 4.13Å; V901-F981 HydrophobicContact CG1-CE2 4.28Å; V901-F981 HydrophobicContact CG1-CZ 4.02Å
902	G	98.5	Very high	95.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.4	-42	174.2	0	0	0	0	0	113.2	L898 W899 S900 F905 A906 L978	L898-G902 PolarHBondContact O-N 3.46Å; W899-G902 PolarHBondContact O-N 3.12Å; W899-G902 VanDerWaalsContact O-N 3.12Å; S900-G902 PolarHBondContact O-N 3.39Å; G902-F905 PolarHBondContact O-N 2.89Å; G902-A906 PolarHBondContact O-N 3.35Å; G902-L978 VanDerWaalsContact O-CD1 3.32Å; G902-L978 WeakPolarHBondContact O-CD1 3.4Å
903	C	98.4	Very high	96.3	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.014	7%	0.067	C	C	.	.	H	α-helix	trans	-65.6	-39.8	175.6	-62.9	0	0	0	0	112.1	Y880 W899 S900 V901 A906 E907	Y880-C903 HydrophobicContact CD1-CB 3.77Å; Y880-C903 HydrophobicContact CE1-CB 4.45Å; W899-C903 PolarHBondContact NE1-SG 3.33Å; W899-C903 PolarHBondContact O-N 3.33Å; W899-C903 PolarHBondContact O-SG 3.46Å; S900-C903 WeakPolarHBondContact O-CB 3.47Å; S900-C903 PolarHBondContact O-N 3.13Å; V901-C903 VanDerWaalsContact C-N 3.35Å; V901-C903 PolarHBondContact O-N 3.41Å; C903-A906 PolarHBondContact O-N 2.99Å; C903-E907 WeakPolarHBondContact O-CB 3.33Å; C903-E907 PolarHBondContact O-N 2.94Å
904	I	98.3	Very high	96.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-67	-43	175.5	-68.1	161.2	0	0	0	111.4	L823 L840 T842 L845 Y880 S900 V901 A906 E907 F908	L823-I904 HydrophobicContact CD2-CB 4.5Å; L823-I904 HydrophobicContact CD2-CD1 4.36Å; L823-I904 HydrophobicContact CD2-CG2 3.97Å; L840-I904 HydrophobicContact CB-CD1 4.11Å; T842-I904 HydrophobicContact CG2-CG1 4.45Å; T842-I904 HydrophobicContact CG2-CG2 4.16Å; L845-I904 HydrophobicContact CD1-CD1 4.24Å; L845-I904 HydrophobicContact CD1-CG2 3.88Å; Y880-I904 HydrophobicContact CD1-CG1 3.91Å; Y880-I904 HydrophobicContact CE1-CG1 3.86Å; S900-I904 WeakPolarHBondContact O-CD1 3.28Å; S900-I904 VanDerWaalsContact O-CG1 3.28Å; S900-I904 WeakPolarHBondContact O-CG1 3.25Å; S900-I904 PolarHBondContact O-N 2.8Å; V901-I904 PolarHBondContact O-N 2.86Å; I904-A906 VanDerWaalsContact C-N 3.33Å; I904-A906 PolarHBondContact O-N 2.88Å; I904-E907 PolarHBondContact O-N 3.14Å; I904-E907 VanDerWaalsContact O-N 3.11Å; I904-F908 HydrophobicContact CG2-CD1 4.38Å; I904-F908 HydrophobicContact CG2-CD2 4.21Å; I904-F908 HydrophobicContact CG2-CE1 3.84Å; I904-F908 HydrophobicContact CG2-CE2 3.66Å; I904-F908 HydrophobicContact CG2-CZ 3.46Å; I904-F908 VanDerWaalsContact CG2-CZ 3.46Å; I904-F908 WeakPolarHBondContact O-CG 3.45Å; I904-F908 PolarHBondContact O-N 3.12Å
905	F	98.4	Very high	96.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.4	-44.5	176.1	176.9	-151.6	0	0	0	111.1	V816 L820 V901 G902 F908 L909 I970 L977 L978 F981 Y1000	V816-F905 HydrophobicContact CG1-CD2 3.74Å; V816-F905 HydrophobicContact CG1-CE2 3.71Å; L820-F905 HydrophobicContact CD1-CB 4.2Å; L820-F905 HydrophobicContact CD1-CG 4.44Å; L820-F905 HydrophobicContact CD2-CB 4.47Å; L820-F905 HydrophobicContact CD2-CD1 3.99Å; L820-F905 HydrophobicContact CD2-CD2 3.79Å; L820-F905 HydrophobicContact CD2-CE1 4.13Å; L820-F905 HydrophobicContact CD2-CE2 3.94Å; L820-F905 HydrophobicContact CD2-CG 3.83Å; L820-F905 HydrophobicContact CD2-CZ 4.11Å; V901-F905 WeakPolarHBondContact O-CB 3.4Å; V901-F905 PolarHBondContact O-N 3.49Å; G902-F905 PolarHBondContact O-N 2.89Å; F905-F908 PolarHBondContact O-N 3.09Å; F905-L909 HydrophobicContact CD2-CD1 4.02Å; F905-L909 HydrophobicContact CD2-CG 4.27Å; F905-L909 HydrophobicContact CE2-CD1 3.68Å; F905-L909 HydrophobicContact CE2-CD2 4.45Å; F905-L909 HydrophobicContact CE2-CG 4.11Å; F905-L909 HydrophobicContact CZ-CD1 4.11Å; F905-L909 WeakPolarHBondContact O-CG 3.12Å; F905-L909 PolarHBondContact O-N 2.95Å; F905-I970 HydrophobicContact CE1-CD1 4.4Å; F905-I970 HydrophobicContact CZ-CD1 4.18Å; F905-L977 HydrophobicContact CE1-CD2 4.43Å; F905-L977 HydrophobicContact CE1-CG 4.45Å; F905-L978 HydrophobicContact CD1-CB 4.14Å; F905-L978 HydrophobicContact CD1-CD1 3.86Å; F905-L978 HydrophobicContact CE1-CB 3.97Å; F905-F981 HydrophobicContact CD1-CD2 4.24Å; F905-F981 HydrophobicContact CD1-CE2 4.23Å; F905-Y1000 AromaticContact CE2-CE1 3.99Å; F905-Y1000 HydrophobicContact CE2-CE1 3.99Å; F905-Y1000 HydrophobicContact CZ-CD1 4.37Å; F905-Y1000 AromaticContact CZ-CE1 3.59Å; F905-Y1000 HydrophobicContact CZ-CE1 3.59Å; F905-Y1000 AromaticContact CZ-CZ 3.75Å
906	A	97.9	Very high	96.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.7	-41.4	171.9	0	0	0	0	0	113	G902 C903 I904 L909 L910 L914 F965 L978	G902-A906 PolarHBondContact O-N 3.35Å; C903-A906 PolarHBondContact O-N 2.99Å; I904-A906 VanDerWaalsContact C-N 3.33Å; I904-A906 PolarHBondContact O-N 2.88Å; A906-L909 PolarHBondContact O-N 3.47Å; A906-L910 WeakPolarHBondContact O-CB 3.4Å; A906-L910 VanDerWaalsContact O-CG 3.26Å; A906-L910 WeakPolarHBondContact O-CG 3.38Å; A906-L910 PolarHBondContact O-N 2.93Å; A906-L914 HydrophobicContact CB-CB 3.93Å; A906-L914 HydrophobicContact CB-CD1 4.16Å; A906-L914 HydrophobicContact CB-CD2 3.69Å; A906-L914 HydrophobicContact CB-CG 4.12Å; A906-F965 HydrophobicContact CB-CE1 4.28Å; A906-F965 HydrophobicContact CB-CZ 3.81Å; A906-L978 HydrophobicContact CB-CD1 4.2Å
907	E	97.2	Very high	96.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.6	-40.3	177.6	-177	169.8	-154.8	0	0	111.9	K801 M804 T842 Y880 C903 I904 L909 L910 Q911 P913	K801-E907 IonicContact NZ-OE1 3.78Å; K801-E907 PolarHBondContact NZ-OE1 3.44Å; M804-E907 HydrophobicContact CE-CG 3.78Å; M804-E907 VanDerWaalsContact CE-O 3.3Å; M804-E907 WeakPolarHBondContact CE-O 3.41Å; T842-E907 HydrophobicContact CG2-CG 4.28Å; T842-E907 WeakPolarHBondContact CG2-OE2 3.37Å; T842-E907 PolarHBondContact OG1-OE2 3.47Å; Y880-E907 PolarHBondContact OH-OE2 3.34Å; C903-E907 WeakPolarHBondContact O-CB 3.33Å; C903-E907 PolarHBondContact O-N 2.94Å; I904-E907 PolarHBondContact O-N 3.14Å; I904-E907 VanDerWaalsContact O-N 3.11Å; E907-L909 VanDerWaalsContact C-N 3.32Å; E907-L909 PolarHBondContact O-N 3.39Å; E907-L910 PolarHBondContact O-N 3.09Å; E907-Q911 VanDerWaalsContact O-CA 3.29Å; E907-Q911 WeakPolarHBondContact O-CA 3.42Å; E907-Q911 PolarHBondContact O-N 3.01Å; E907-P913 WeakPolarHBondContact OE1-CD 3.3Å; E907-P913 WeakPolarHBondContact OE1-CG 3.33Å
908	F	96.7	Very high	96.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.5	-41.8	174.3	-68.1	-22.4	0	0	0	112.5	L800 M804 F811 V816 L819 T842 L845 I904 F905 Q911	L800-F908 HydrophobicContact CD1-CE1 3.7Å; L800-F908 HydrophobicContact CD1-CZ 3.61Å; M804-F908 HydrophobicContact CE-CD1 4.13Å; M804-F908 HydrophobicContact SD-CD1 3.79Å; M804-F908 HydrophobicContact SD-CE1 4.08Å; F811-F908 HydrophobicContact CD2-CB 4.41Å; F811-F908 HydrophobicContact CD2-CD1 4.42Å; F811-F908 HydrophobicContact CE2-CD1 4.22Å; V816-F908 HydrophobicContact CG1-CB 4.06Å; V816-F908 HydrophobicContact CG1-CD2 4.36Å; V816-F908 HydrophobicContact CG2-CB 4.04Å; L819-F908 HydrophobicContact CB-CD2 4.37Å; L819-F908 HydrophobicContact CB-CE2 3.81Å; L819-F908 HydrophobicContact CB-CZ 4.33Å; L819-F908 HydrophobicContact CD1-CD2 4.5Å; L819-F908 HydrophobicContact CD1-CE2 4.3Å; L819-F908 HydrophobicContact CD1-CZ 4.36Å; T842-F908 HydrophobicContact CG2-CE1 4.01Å; L845-F908 HydrophobicContact CD1-CZ 4.07Å; I904-F908 HydrophobicContact CG2-CD1 4.38Å; I904-F908 HydrophobicContact CG2-CD2 4.21Å; I904-F908 HydrophobicContact CG2-CE1 3.84Å; I904-F908 HydrophobicContact CG2-CE2 3.66Å; I904-F908 HydrophobicContact CG2-CZ 3.46Å; I904-F908 VanDerWaalsContact CG2-CZ 3.46Å; I904-F908 WeakPolarHBondContact O-CG 3.45Å; I904-F908 PolarHBondContact O-N 3.12Å; F905-F908 PolarHBondContact O-N 3.09Å; F908-Q911 PolarHBondContact O-NE2 3.13Å
909	L	95.6	Very high	96.4	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-73.7	-32.1	179.4	-66.7	173.5	0	0	0	113.7	V816 F905 A906 E907 F965 Q969 I970	V816-L909 HydrophobicContact CB-CD2 4.43Å; V816-L909 HydrophobicContact CG1-CD2 4.03Å; V816-L909 HydrophobicContact CG1-CG 4.31Å; V816-L909 HydrophobicContact CG2-CD2 4.19Å; F905-L909 HydrophobicContact CD2-CD1 4.02Å; F905-L909 HydrophobicContact CD2-CG 4.27Å; F905-L909 HydrophobicContact CE2-CD1 3.68Å; F905-L909 HydrophobicContact CE2-CD2 4.45Å; F905-L909 HydrophobicContact CE2-CG 4.11Å; F905-L909 HydrophobicContact CZ-CD1 4.11Å; F905-L909 WeakPolarHBondContact O-CG 3.12Å; F905-L909 PolarHBondContact O-N 2.95Å; A906-L909 PolarHBondContact O-N 3.47Å; E907-L909 VanDerWaalsContact C-N 3.32Å; E907-L909 PolarHBondContact O-N 3.39Å; L909-F965 HydrophobicContact CB-CD1 4.29Å; L909-F965 HydrophobicContact CB-CE1 4.04Å; L909-F965 HydrophobicContact CD1-CD1 4.24Å; L909-F965 HydrophobicContact CD1-CE1 3.99Å; L909-Q969 VanDerWaalsContact CD2-O 3.3Å; L909-Q969 WeakPolarHBondContact CD2-O 3.46Å; L909-Q969 PolarHBondContact O-NE2 3.41Å; L909-I970 HydrophobicContact CD1-CB 4.18Å; L909-I970 HydrophobicContact CD1-CD1 3.64Å; L909-I970 HydrophobicContact CD1-CG1 4.02Å
910	L	94.3	Very high	96.1	Very high	23 Å²	23	29 Å²	29	12%	0.12	14%	0.143	C	C	.	.	H	α-helix	trans	-101	-14	-174.2	-63.1	176.5	0	0	0	114.2	A906 E907 R912 L914 R964 F965	A906-L910 WeakPolarHBondContact O-CB 3.4Å; A906-L910 VanDerWaalsContact O-CG 3.26Å; A906-L910 WeakPolarHBondContact O-CG 3.38Å; A906-L910 PolarHBondContact O-N 2.93Å; E907-L910 PolarHBondContact O-N 3.09Å; L910-R912 HydrophobicContact CB-CG 4.04Å; L910-R912 PolarHBondContact O-N 3.48Å; L910-L914 HydrophobicContact CD1-CD1 3.96Å; L910-R964 WeakPolarHBondContact CD2-O 3.43Å; L910-F965 HydrophobicContact CD1-CE1 3.84Å; L910-F965 HydrophobicContact CD1-CZ 3.89Å; L910-F965 HydrophobicContact CD2-CD1 3.77Å; L910-F965 HydrophobicContact CD2-CE1 3.8Å; L910-F965 HydrophobicContact CD2-CG 4.47Å; L910-F965 HydrophobicContact CG-CD1 4.12Å; L910-F965 HydrophobicContact CG-CE1 3.63Å; L910-F965 HydrophobicContact CG-CZ 4.21Å
911	Q	93	Very high	95.8	Very high	50 Å²	50	31.4 Å²	31.4	23%	0.234	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	23.3	-169.4	-61.3	-67.6	-50.4	0	0	114.3	P810 E907 F908	P810-Q911 HydrophobicContact CB-CG 3.63Å; E907-Q911 VanDerWaalsContact O-CA 3.29Å; E907-Q911 WeakPolarHBondContact O-CA 3.42Å; E907-Q911 PolarHBondContact O-N 3.01Å; F908-Q911 PolarHBondContact O-NE2 3.13Å
912	R	94.1	Very high	95.5	Very high	128 Å²	128	34.6 Å²	34.6	48%	0.483	18%	0.175	S	C	.	.	S	Bend	trans	-154.4	150	176.8	65.1	-170.8	178.7	106.1	-3.5	110.4	L910 L914	L910-R912 HydrophobicContact CB-CG 4.04Å; L910-R912 PolarHBondContact O-N 3.48Å; R912-L914 PolarHBondContact O-N 3.34Å
913	P	95.7	Very high	95.4	Very high	18 Å²	18	34.6 Å²	34.6	12%	0.117	18%	0.175	C	C	.	.			trans	-54.2	138.6	177.2	-24.7	32.2	0	0	0	112	W879 E907 P916	W879-P913 HydrophobicContact CD2-CB 4.41Å; W879-P913 HydrophobicContact CE3-CB 3.84Å; W879-P913 HydrophobicContact CE3-CG 3.59Å; W879-P913 HydrophobicContact CZ3-CB 4.33Å; W879-P913 HydrophobicContact CZ3-CG 3.63Å; E907-P913 WeakPolarHBondContact OE1-CD 3.3Å; E907-P913 WeakPolarHBondContact OE1-CG 3.33Å; P913-P916 HydrophobicContact CB-CB 4.42Å
914	L	96.8	Very high	95.2	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	18%	0.176	C	C	.	.	S	Bend	trans	-68	-45.8	-179.1	-178.5	62.5	0	0	0	111.6	A906 L910 R912 P916 L961 F965 L982	A906-L914 HydrophobicContact CB-CB 3.93Å; A906-L914 HydrophobicContact CB-CD1 4.16Å; A906-L914 HydrophobicContact CB-CD2 3.69Å; A906-L914 HydrophobicContact CB-CG 4.12Å; L910-L914 HydrophobicContact CD1-CD1 3.96Å; R912-L914 PolarHBondContact O-N 3.34Å; L914-P916 WeakPolarHBondContact O-CD 3.13Å; L914-L961 HydrophobicContact CD1-CD1 3.98Å; L914-L961 HydrophobicContact CD2-CD1 4.18Å; L914-F965 HydrophobicContact CD1-CZ 4.38Å; L914-L982 HydrophobicContact CD2-CD1 3.65Å
915	F	97.2	Very high	95	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.			trans	-121.8	85.6	-176.9	-50.5	-48.9	0	0	0	110.7	W879 W899 G917 E923 I926 I927 D930 L931 L982	W879-F915 VanDerWaalsContact CA-O 3.3Å; W879-F915 WeakPolarHBondContact CA-O 3.15Å; W879-F915 WeakPolarHBondContact CB-O 3.32Å; W879-F915 VanDerWaalsContact CD1-O 3.24Å; W879-F915 VanDerWaalsContact CG-O 3.28Å; W899-F915 HydrophobicContact CZ2-CD2 4.39Å; W899-F915 AromaticContact CZ2-CE2 3.73Å; W899-F915 HydrophobicContact CZ2-CE2 3.73Å; F915-G917 PolarHBondContact O-N 3.07Å; F915-E923 WeakPolarHBondContact CB-OE1 3.25Å; F915-E923 VanDerWaalsContact O-OE1 3.13Å; F915-I926 HydrophobicContact CB-CG2 3.99Å; F915-I926 HydrophobicContact CD1-CG2 3.76Å; F915-I926 HydrophobicContact CG-CG2 4.31Å; F915-I927 HydrophobicContact CB-CG1 4.39Å; F915-I927 HydrophobicContact CD1-CG1 4.17Å; F915-I927 HydrophobicContact CD2-CD1 4.48Å; F915-I927 HydrophobicContact CD2-CG1 3.79Å; F915-I927 HydrophobicContact CE1-CG1 4.35Å; F915-I927 HydrophobicContact CE2-CG1 4.01Å; F915-I927 HydrophobicContact CG-CG1 3.88Å; F915-I927 HydrophobicContact CZ-CG1 4.26Å; F915-D930 HydrophobicContact CE1-CB 4.1Å; F915-L931 HydrophobicContact CZ-CD1 4.47Å; F915-L982 HydrophobicContact CE2-CD2 4.29Å; F915-L982 HydrophobicContact CZ-CD1 4.37Å
916	P	95.9	Very high	94.8	Very high	58 Å²	58	37 Å²	37	38%	0.377	19%	0.188	S	C	.	.			trans	-92.4	60.9	-177.2	35.6	-35.9	0	0	0	112.4	W879 P913 L914	W879-P916 HydrophobicContact CD2-CB 4.49Å; W879-P916 HydrophobicContact CZ2-CB 4.35Å; P913-P916 HydrophobicContact CB-CB 4.42Å; L914-P916 WeakPolarHBondContact O-CD 3.13Å
917	G	95.1	Very high	94.7	Very high	4 Å²	4	37 Å²	37	4%	0.041	19%	0.188	C	C	.	.			trans	-73.2	158.3	180	0	0	0	0	0	114.5	W879 F915 D922 E923	W879-G917 PolarHBondContact NE1-O 3.11Å; F915-G917 PolarHBondContact O-N 3.07Å; G917-D922 WeakPolarHBondContact CA-OD2 3.46Å; G917-E923 WeakPolarHBondContact CA-OE2 3.11Å; G917-E923 PolarHBondContact N-OE2 2.81Å
918	K	92.9	Very high	94.6	Very high	196 Å²	196	37.1 Å²	37.1	85%	0.852	19%	0.188	S	C	*	.	S	Bend	trans	-100.4	-7.3	-178.5	-63.1	177.6	-178	175.5	0	114.1	D922	K918-D922 PolarHBondContact N-OD2 3.47Å
919	G	92.1	Very high	94.5	Very high	29 Å²	29	41.9 Å²	41.9	30%	0.299	21%	0.206	S	C	.	.	S	Bend	trans	-176.4	166.4	177.9	0	0	0	0	0	109.8	V921 D922 E923	G919-V921 VanDerWaalsContact C-N 3.29Å; G919-V921 PolarHBondContact O-N 3.1Å; G919-V921 VanDerWaalsContact O-N 3.16Å; G919-D922 WeakPolarHBondContact O-CA 3.44Å; G919-D922 WeakPolarHBondContact O-CB 3.45Å; G919-D922 PolarHBondContact O-N 3.01Å; G919-E923 WeakPolarHBondContact O-CB 3.49Å; G919-E923 PolarHBondContact O-N 3.43Å
920	E	92	Very high	94.5	Very high	90 Å²	90	41.9 Å²	41.9	42%	0.421	21%	0.206	S	C	.	.	H	α-helix	trans	-57.9	-36.6	-167.5	-61	176	159.6	0	0	114.1	L878 R881 L886 L924	L878-E920 HydrophobicContact CD1-CG 4.04Å; R881-E920 IonicContact CZ-OE1 3.32Å; R881-E920 IonicContact NH1-OE1 2.75Å; R881-E920 PolarHBondContact NH1-OE1 3.2Å; L886-E920 HydrophobicContact CD2-CB 3.81Å; L886-E920 HydrophobicContact CD2-CG 3.89Å; E920-L924 WeakPolarHBondContact O-CB 3.31Å; E920-L924 WeakPolarHBondContact O-CG 3.47Å; E920-L924 PolarHBondContact O-N 2.98Å
921	V	92.2	Very high	94.5	Very high	52 Å²	52	41.1 Å²	41.1	32%	0.315	20%	0.202	S	C	.	.	H	α-helix	trans	-73.2	-35	176.3	-177.8	0	0	0	0	112	G919 N925 F953	G919-V921 VanDerWaalsContact C-N 3.29Å; G919-V921 PolarHBondContact O-N 3.1Å; G919-V921 VanDerWaalsContact O-N 3.16Å; V921-N925 PolarHBondContact O-N 2.8Å; V921-N925 PolarHBondContact O-ND2 3.49Å; V921-F953 HydrophobicContact CG1-CE1 4.15Å
922	D	93.6	Very high	94.6	Very high	66 Å²	66	38.8 Å²	38.8	35%	0.353	19%	0.192	S	C	.	.	H	α-helix	trans	-72.1	-41.1	177.1	-175.6	51.1	0	0	0	110.8	G917 K918 G919 N925 I926	G917-D922 WeakPolarHBondContact CA-OD2 3.46Å; K918-D922 PolarHBondContact N-OD2 3.47Å; G919-D922 WeakPolarHBondContact O-CA 3.44Å; G919-D922 WeakPolarHBondContact O-CB 3.45Å; G919-D922 PolarHBondContact O-N 3.01Å; D922-N925 PolarHBondContact O-N 3.12Å; D922-I926 VanDerWaalsContact O-CG1 3.3Å; D922-I926 WeakPolarHBondContact O-CG1 3.33Å; D922-I926 PolarHBondContact O-N 2.94Å
923	E	95.1	Very high	94.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-55.7	-52.9	171.6	-168.7	64.2	-146.9	0	0	111.1	L878 L886 F915 G917 G919 N925 I926 I927	L878-E923 HydrophobicContact CD1-CB 3.91Å; L878-E923 HydrophobicContact CD1-CG 3.88Å; L878-E923 HydrophobicContact CD2-CB 4.43Å; L878-E923 HydrophobicContact CG-CB 4.12Å; L878-E923 HydrophobicContact CG-CG 3.99Å; L886-E923 HydrophobicContact CD1-CB 4.34Å; L886-E923 HydrophobicContact CD1-CG 3.74Å; L886-E923 HydrophobicContact CD2-CB 4.46Å; L886-E923 HydrophobicContact CD2-CG 4.34Å; F915-E923 WeakPolarHBondContact CB-OE1 3.25Å; F915-E923 VanDerWaalsContact O-OE1 3.13Å; G917-E923 WeakPolarHBondContact CA-OE2 3.11Å; G917-E923 PolarHBondContact N-OE2 2.81Å; G919-E923 WeakPolarHBondContact O-CB 3.49Å; G919-E923 PolarHBondContact O-N 3.43Å; E923-N925 PolarHBondContact O-N 3.18Å; E923-I926 PolarHBondContact O-N 3.03Å; E923-I926 VanDerWaalsContact O-N 3.13Å; E923-I927 HydrophobicContact CG-CD1 4.15Å; E923-I927 VanDerWaalsContact O-CG1 3.31Å; E923-I927 WeakPolarHBondContact O-CG1 3.38Å; E923-I927 PolarHBondContact O-N 2.79Å
924	L	95	Very high	94.4	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-58.4	-42.8	174.9	-76.1	171.2	0	0	0	112.6	P883 L886 L887 E920 I926 I927 F928 F953	P883-L924 HydrophobicContact CB-CD2 4.42Å; L886-L924 HydrophobicContact CB-CD1 4.05Å; L886-L924 HydrophobicContact CB-CD2 3.72Å; L886-L924 HydrophobicContact CB-CG 3.85Å; L886-L924 HydrophobicContact CD1-CD2 3.94Å; L886-L924 HydrophobicContact CD1-CG 4.1Å; L886-L924 HydrophobicContact CG-CD2 4.46Å; L886-L924 HydrophobicContact CG-CG 4.48Å; L887-L924 HydrophobicContact CD2-CD1 3.67Å; L887-L924 HydrophobicContact CD2-CD2 4.25Å; L887-L924 HydrophobicContact CG-CD1 4.35Å; L887-L924 HydrophobicContact CG-CD2 4.19Å; E920-L924 WeakPolarHBondContact O-CB 3.31Å; E920-L924 WeakPolarHBondContact O-CG 3.47Å; E920-L924 PolarHBondContact O-N 2.98Å; L924-I926 VanDerWaalsContact C-N 3.32Å; L924-I926 PolarHBondContact O-N 2.98Å; L924-I927 PolarHBondContact O-N 3.42Å; L924-F928 HydrophobicContact CB-CZ 4.33Å; L924-F928 HydrophobicContact CD2-CE1 3.89Å; L924-F928 HydrophobicContact CD2-CZ 3.96Å; L924-F928 WeakPolarHBondContact O-CB 3.25Å; L924-F928 WeakPolarHBondContact O-CD1 3.48Å; L924-F928 WeakPolarHBondContact O-CG 3.41Å; L924-F928 PolarHBondContact O-N 3.1Å; L924-F953 HydrophobicContact CB-CE1 3.7Å; L924-F953 HydrophobicContact CB-CZ 4.21Å; L924-F953 HydrophobicContact CD1-CE1 4.01Å; L924-F953 HydrophobicContact CD1-CZ 3.66Å
925	N	93.3	Very high	94.2	Very high	37 Å²	37	37.4 Å²	37.4	20%	0.198	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-35.7	176.4	-82.2	-64.2	0	0	0	112.6	V921 D922 E923 R929	V921-N925 PolarHBondContact O-N 2.8Å; V921-N925 PolarHBondContact O-ND2 3.49Å; D922-N925 PolarHBondContact O-N 3.12Å; E923-N925 PolarHBondContact O-N 3.18Å; N925-R929 VanDerWaalsContact O-CB 3.26Å; N925-R929 WeakPolarHBondContact O-CB 3.33Å; N925-R929 PolarHBondContact O-N 3.49Å
926	I	95	Very high	94	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-67.7	-45.6	175.2	-71.4	164.1	0	0	0	110.8	F915 D922 E923 L924 R929 D930	F915-I926 HydrophobicContact CB-CG2 3.99Å; F915-I926 HydrophobicContact CD1-CG2 3.76Å; F915-I926 HydrophobicContact CG-CG2 4.31Å; D922-I926 VanDerWaalsContact O-CG1 3.3Å; D922-I926 WeakPolarHBondContact O-CG1 3.33Å; D922-I926 PolarHBondContact O-N 2.94Å; E923-I926 PolarHBondContact O-N 3.03Å; E923-I926 VanDerWaalsContact O-N 3.13Å; L924-I926 VanDerWaalsContact C-N 3.32Å; L924-I926 PolarHBondContact O-N 2.98Å; I926-R929 PolarHBondContact O-N 2.87Å; I926-D930 PolarHBondContact O-N 3.22Å
927	I	96.4	Very high	93.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-49.7	175.5	-66.5	165.2	0	0	0	110	L886 W899 F915 E923 L924 R929 D930 L931 Y984	L886-I927 HydrophobicContact CD1-CD1 3.79Å; W899-I927 HydrophobicContact CH2-CG2 3.82Å; W899-I927 HydrophobicContact CZ2-CD1 3.98Å; W899-I927 HydrophobicContact CZ2-CG1 4.22Å; W899-I927 HydrophobicContact CZ2-CG2 3.98Å; F915-I927 HydrophobicContact CB-CG1 4.39Å; F915-I927 HydrophobicContact CD1-CG1 4.17Å; F915-I927 HydrophobicContact CD2-CD1 4.48Å; F915-I927 HydrophobicContact CD2-CG1 3.79Å; F915-I927 HydrophobicContact CE1-CG1 4.35Å; F915-I927 HydrophobicContact CE2-CG1 4.01Å; F915-I927 HydrophobicContact CG-CG1 3.88Å; F915-I927 HydrophobicContact CZ-CG1 4.26Å; E923-I927 HydrophobicContact CG-CD1 4.15Å; E923-I927 VanDerWaalsContact O-CG1 3.31Å; E923-I927 WeakPolarHBondContact O-CG1 3.38Å; E923-I927 PolarHBondContact O-N 2.79Å; L924-I927 PolarHBondContact O-N 3.42Å; I927-R929 VanDerWaalsContact C-N 3.32Å; I927-R929 PolarHBondContact O-N 2.8Å; I927-D930 PolarHBondContact O-N 3.23Å; I927-L931 HydrophobicContact CG2-CD1 3.85Å; I927-L931 HydrophobicContact CG2-CG 4.47Å; I927-L931 WeakPolarHBondContact O-CB 3.3Å; I927-L931 PolarHBondContact O-N 3.25Å; I927-Y984 HydrophobicContact CG2-CE1 4Å
928	F	95	Very high	93.5	Very high	2 Å²	2	51 Å²	51	1%	0.009	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-34.6	-178.2	-64.5	-0.6	0	0	0	111.9	L924 D930 G932 T933 P934 F953 Y956 Y984	L924-F928 HydrophobicContact CB-CZ 4.33Å; L924-F928 HydrophobicContact CD2-CE1 3.89Å; L924-F928 HydrophobicContact CD2-CZ 3.96Å; L924-F928 WeakPolarHBondContact O-CB 3.25Å; L924-F928 WeakPolarHBondContact O-CD1 3.48Å; L924-F928 WeakPolarHBondContact O-CG 3.41Å; L924-F928 PolarHBondContact O-N 3.1Å; F928-D930 VanDerWaalsContact C-N 3.33Å; F928-D930 PolarHBondContact O-N 2.87Å; F928-G932 CarbonylContact O-C 3.54Å; F928-G932 WeakPolarHBondContact O-CA 3.3Å; F928-G932 PolarHBondContact O-N 3.38Å; F928-T933 HydrophobicContact CD2-CG2 4.1Å; F928-T933 HydrophobicContact CE2-CG2 4.41Å; F928-P934 HydrophobicContact CD1-CG 4.42Å; F928-P934 VanDerWaalsContact CE1-CD 3.47Å; F928-P934 HydrophobicContact CE1-CG 3.78Å; F928-P934 HydrophobicContact CZ-CG 3.84Å; F928-F953 HydrophobicContact CD2-CB 4.04Å; F928-F953 AromaticContact CD2-CD1 3.97Å; F928-F953 HydrophobicContact CD2-CD1 3.97Å; F928-F953 HydrophobicContact CD2-CG 4.01Å; F928-F953 HydrophobicContact CE2-CB 4.03Å; F928-F953 AromaticContact CE2-CD1 3.7Å; F928-F953 HydrophobicContact CE2-CD1 3.7Å; F928-F953 AromaticContact CE2-CD2 3.89Å; F928-F953 HydrophobicContact CE2-CD2 3.89Å; F928-F953 HydrophobicContact CE2-CE1 4.08Å; F928-F953 HydrophobicContact CE2-CE2 4.25Å; F928-F953 AromaticContact CE2-CG 3.59Å; F928-F953 HydrophobicContact CE2-CG 3.59Å; F928-F953 HydrophobicContact CE2-CZ 4.34Å; F928-Y956 HydrophobicContact CB-CD2 3.9Å; F928-Y956 HydrophobicContact CB-CE2 4.44Å; F928-Y956 VanDerWaalsContact O-CB 3.24Å; F928-Y956 WeakPolarHBondContact O-CB 3.18Å; F928-Y984 HydrophobicContact CD1-CE1 4.2Å; F928-Y984 VanDerWaalsContact CD1-OH 3.23Å; F928-Y984 WeakPolarHBondContact CD1-OH 3.45Å; F928-Y984 HydrophobicContact CE1-CE1 4.08Å
929	R	94.4	Very high	93.6	Very high	101 Å²	101	42.4 Å²	42.4	38%	0.381	21%	0.209	S	C	.	.	H	α-helix	trans	-63.6	-36.1	174.9	-177.6	-175.4	66.8	-134.5	0.2	113	N925 I926 I927 Y956 R964	N925-R929 VanDerWaalsContact O-CB 3.26Å; N925-R929 WeakPolarHBondContact O-CB 3.33Å; N925-R929 PolarHBondContact O-N 3.49Å; I926-R929 PolarHBondContact O-N 2.87Å; I927-R929 VanDerWaalsContact C-N 3.32Å; I927-R929 PolarHBondContact O-N 2.8Å; R929-Y956 HydrophobicContact CB-CD1 4.33Å; R929-Y956 HydrophobicContact CB-CD2 4.27Å; R929-Y956 HydrophobicContact CB-CE1 4.14Å; R929-Y956 HydrophobicContact CB-CE2 4.04Å; R929-Y956 HydrophobicContact CB-CG 4.4Å; R929-Y956 HydrophobicContact CG-CD1 4.32Å; R929-Y956 HydrophobicContact CG-CE1 4.03Å; R929-R964 VanDerWaalsContact NH2-NH2 3.17Å
930	D	94.5	Very high	93.6	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.032	22%	0.219	C	C	.	.	H	α-helix	trans	-90	-35.7	-178	-69.7	-17.3	0	0	0	112.9	F915 I926 I927 F928 Q960 L961 R964	F915-D930 HydrophobicContact CE1-CB 4.1Å; I926-D930 PolarHBondContact O-N 3.22Å; I927-D930 PolarHBondContact O-N 3.23Å; F928-D930 VanDerWaalsContact C-N 3.33Å; F928-D930 PolarHBondContact O-N 2.87Å; D930-Q960 CarbonylContact O-C 3.3Å; D930-Q960 WeakPolarHBondContact O-CA 3.07Å; D930-Q960 PolarHBondContact O-N 3.03Å; D930-L961 HydrophobicContact CB-CD1 4.36Å; D930-L961 PolarHBondContact O-N 3.13Å; D930-R964 IonicContact OD1-CZ 3.53Å; D930-R964 VanDerWaalsContact OD1-CZ 3.23Å; D930-R964 IonicContact OD1-NE 3.91Å; D930-R964 PolarHBondContact OD1-NE 2.79Å; D930-R964 IonicContact OD1-NH2 2.71Å; D930-R964 PolarHBondContact OD1-NH2 3.06Å; D930-R964 IonicContact OD2-CZ 2.75Å; D930-R964 IonicContact OD2-NE 2.99Å; D930-R964 PolarHBondContact OD2-NE 2.89Å; D930-R964 IonicContact OD2-NH1 3.95Å; D930-R964 IonicContact OD2-NH2 2.7Å; D930-R964 PolarHBondContact OD2-NH2 2.76Å
931	L	95.8	Very high	93.5	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-99.6	-11.5	-177.6	-59.6	-178.6	0	0	0	114.1	W899 F915 I927 N959 L961 L982 Y984	W899-L931 HydrophobicContact CH2-CD1 3.57Å; W899-L931 HydrophobicContact CZ3-CD1 4.17Å; F915-L931 HydrophobicContact CZ-CD1 4.47Å; I927-L931 HydrophobicContact CG2-CD1 3.85Å; I927-L931 HydrophobicContact CG2-CG 4.47Å; I927-L931 WeakPolarHBondContact O-CB 3.3Å; I927-L931 PolarHBondContact O-N 3.25Å; L931-N959 WeakPolarHBondContact O-CA 3.35Å; L931-N959 PolarHBondContact O-N 3.05Å; L931-L961 HydrophobicContact CD2-CB 4.13Å; L931-L961 HydrophobicContact CD2-CD2 3.95Å; L931-L961 HydrophobicContact CD2-CG 4.41Å; L931-L982 HydrophobicContact CD1-CB 4.33Å; L931-L982 HydrophobicContact CD2-CB 4.43Å; L931-Y984 HydrophobicContact CB-CE2 3.79Å; L931-Y984 HydrophobicContact CD1-CE2 4.35Å
932	G	94.2	Very high	93.5	Very high	2 Å²	2	39 Å²	39	2%	0.021	20%	0.195	C	C	.	.			trans	85.3	154.5	-166.1	0	0	0	0	0	111.9	F928 Y956 P957 Y984	F928-G932 CarbonylContact O-C 3.54Å; F928-G932 WeakPolarHBondContact O-CA 3.3Å; F928-G932 PolarHBondContact O-N 3.38Å; G932-Y956 WeakPolarHBondContact CA-O 3.49Å; G932-P957 WeakPolarHBondContact CA-O 3.31Å; G932-Y984 WeakPolarHBondContact O-CE2 3.45Å; G932-Y984 PolarHBondContact O-OH 3.16Å
933	T	93.2	Very high	93.2	Very high	33 Å²	33	39 Å²	39	20%	0.202	20%	0.199	C	C	.	.			trans	-71.7	133.1	-179.8	-56.1	0	0	0	0	110.2	F928 T954 E955 Y956	F928-T933 HydrophobicContact CD2-CG2 4.1Å; F928-T933 HydrophobicContact CE2-CG2 4.41Å; T933-T954 PolarHBondContact OG1-O 3Å; T933-E955 WeakPolarHBondContact OG1-CA 3.46Å; T933-Y956 PolarHBondContact N-O 2.92Å; T933-Y956 VanDerWaalsContact N-O 3.11Å; T933-Y956 PolarHBondContact OG1-N 3.43Å
934	P	92.9	Very high	92.9	Very high	14 Å²	14	45.8 Å²	45.8	9%	0.091	23%	0.231	C	C	.	.			trans	-70.8	141.6	-175.6	28.9	-35.5	0	0	0	112.6	F928 I938 W939 V942 Y984	F928-P934 HydrophobicContact CD1-CG 4.42Å; F928-P934 VanDerWaalsContact CE1-CD 3.47Å; F928-P934 HydrophobicContact CE1-CG 3.78Å; F928-P934 HydrophobicContact CZ-CG 3.84Å; P934-I938 HydrophobicContact CB-CD1 4.4Å; P934-W939 HydrophobicContact CB-CE3 4.22Å; P934-V942 HydrophobicContact CB-CG2 4Å; P934-V942 HydrophobicContact CG-CG2 4.09Å; P934-Y984 HydrophobicContact CB-CD1 4.24Å; P934-Y984 HydrophobicContact CB-CD2 4.25Å; P934-Y984 HydrophobicContact CB-CE1 4.29Å; P934-Y984 HydrophobicContact CB-CE2 4.25Å; P934-Y984 HydrophobicContact CB-CG 4.22Å; P934-Y984 HydrophobicContact CG-CE1 4.24Å
935	T	91.8	Very high	92.6	Very high	73 Å²	73	46.9 Å²	46.9	45%	0.448	24%	0.237	S	C	.	.			trans	-127	158.5	179.4	59.4	0	0	0	0	110.1	R937 I938 W939	T935-R937 PolarHBondContact O-N 2.95Å; T935-I938 PolarHBondContact O-N 3.3Å; T935-W939 PolarHBondContact O-N 3.29Å
936	E	92.5	Very high	92.3	Very high	77 Å²	77	47.9 Å²	47.9	36%	0.36	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-26.5	175.3	-68.9	-62.2	145.3	0	0	113.7	W939 P940 G941 V942 S943	E936-W939 WeakPolarHBondContact CA-O 3.5Å; E936-W939 CarbonylContact O-C 3.47Å; E936-P940 WeakPolarHBondContact O-CA 3.41Å; E936-G941 PolarHBondContact OE2-N 2.93Å; E936-V942 PolarHBondContact OE1-N 3.4Å; E936-S943 WeakPolarHBondContact OE1-CA 3.44Å; E936-S943 WeakPolarHBondContact OE1-CB 3.21Å; E936-S943 PolarHBondContact OE1-N 2.83Å; E936-S943 PolarHBondContact OE1-OG 2.74Å
937	R	91.5	Very high	91.7	Very high	222 Å²	222	47.9 Å²	47.9	84%	0.838	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-42.1	176.1	-179.3	-179.5	172.1	-164.1	-2.8	112.7	T935	T935-R937 PolarHBondContact O-N 2.95Å
938	I	90.8	Very high	91.2	Very high	48 Å²	48	50 Å²	50	25%	0.246	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-32.3	-177.1	72.3	175.7	0	0	0	111.8	P934 T935 Y984	P934-I938 HydrophobicContact CB-CD1 4.4Å; T935-I938 PolarHBondContact O-N 3.3Å; I938-Y984 HydrophobicContact CD1-CD2 3.63Å; I938-Y984 HydrophobicContact CD1-CE2 4.04Å; I938-Y984 HydrophobicContact CG1-CD2 4.48Å
939	W	93.3	Very high	90.4	Very high	16 Å²	16	56.9 Å²	56.9	6%	0.061	29%	0.289	C	S	.	.	S	Bend	trans	-134.8	92.6	175.9	-173.5	0.1	0	0	0	109.5	P883 E884 L887 P934 T935 E936 G941 V942 L945 Y984 C985	P883-W939 HydrophobicContact CB-CH2 4.45Å; P883-W939 HydrophobicContact CB-CZ3 4.19Å; P883-W939 HydrophobicContact CG-CZ3 4.36Å; E884-W939 HydrophobicContact CB-CH2 3.85Å; E884-W939 HydrophobicContact CB-CZ2 3.82Å; L887-W939 HydrophobicContact CD1-CH2 3.9Å; L887-W939 HydrophobicContact CD1-CZ3 3.77Å; P934-W939 HydrophobicContact CB-CE3 4.22Å; T935-W939 PolarHBondContact O-N 3.29Å; E936-W939 WeakPolarHBondContact CA-O 3.5Å; E936-W939 CarbonylContact O-C 3.47Å; W939-G941 PolarHBondContact O-N 2.9Å; W939-V942 HydrophobicContact CB-CB 4.02Å; W939-V942 HydrophobicContact CB-CG1 4.49Å; W939-V942 HydrophobicContact CB-CG2 4.38Å; W939-V942 HydrophobicContact CD2-CB 3.97Å; W939-V942 HydrophobicContact CD2-CG2 3.76Å; W939-V942 HydrophobicContact CE3-CB 4.2Å; W939-V942 HydrophobicContact CE3-CG2 3.47Å; W939-V942 VanDerWaalsContact CE3-CG2 3.47Å; W939-V942 HydrophobicContact CG-CB 3.89Å; W939-V942 HydrophobicContact CG-CG2 4.17Å; W939-V942 HydrophobicContact CZ3-CG2 4Å; W939-V942 WeakPolarHBondContact O-CB 3Å; W939-V942 WeakPolarHBondContact O-CG1 3.5Å; W939-V942 PolarHBondContact O-N 2.85Å; W939-L945 HydrophobicContact CH2-CD1 3.59Å; W939-L945 HydrophobicContact CZ2-CD1 3.46Å; W939-L945 VanDerWaalsContact CZ2-CD1 3.46Å; W939-L945 HydrophobicContact CZ3-CD1 4.28Å; W939-Y984 HydrophobicContact CE3-CD1 4.06Å; W939-Y984 HydrophobicContact CE3-CG 4.27Å; W939-Y984 HydrophobicContact CZ3-CD1 4.12Å; W939-C985 HydrophobicContact CB-CB 4.34Å; W939-C985 HydrophobicContact CG-CB 4.19Å
940	P	92.8	Very high	89.7	Confident	77 Å²	77	60 Å²	60	50%	0.5	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	136.7	174.3	-24.2	35	0	0	0	111.2	E936 V942	E936-P940 WeakPolarHBondContact O-CA 3.41Å; P940-V942 VanDerWaalsContact C-N 3.34Å
941	G	90.4	Very high	89	Confident	21 Å²	21	61.7 Å²	61.7	22%	0.216	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-2.3	-177.8	0	0	0	0	0	114.9	E936 W939 S943 Q944	E936-G941 PolarHBondContact OE2-N 2.93Å; W939-G941 PolarHBondContact O-N 2.9Å; G941-S943 VanDerWaalsContact C-N 3.29Å; G941-S943 PolarHBondContact O-N 2.84Å; G941-Q944 VanDerWaalsContact O-CB 3.25Å; G941-Q944 WeakPolarHBondContact O-CB 3.3Å; G941-Q944 PolarHBondContact O-N 2.93Å
942	V	91.4	Very high	88.2	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.012	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-58.4	-37.1	-175.8	69.3	0	0	0	0	113.1	P934 E936 W939 P940 Q944 L945 I948	P934-V942 HydrophobicContact CB-CG2 4Å; P934-V942 HydrophobicContact CG-CG2 4.09Å; E936-V942 PolarHBondContact OE1-N 3.4Å; W939-V942 HydrophobicContact CB-CB 4.02Å; W939-V942 HydrophobicContact CB-CG1 4.49Å; W939-V942 HydrophobicContact CB-CG2 4.38Å; W939-V942 HydrophobicContact CD2-CB 3.97Å; W939-V942 HydrophobicContact CD2-CG2 3.76Å; W939-V942 HydrophobicContact CE3-CB 4.2Å; W939-V942 HydrophobicContact CE3-CG2 3.47Å; W939-V942 VanDerWaalsContact CE3-CG2 3.47Å; W939-V942 HydrophobicContact CG-CB 3.89Å; W939-V942 HydrophobicContact CG-CG2 4.17Å; W939-V942 HydrophobicContact CZ3-CG2 4Å; W939-V942 WeakPolarHBondContact O-CB 3Å; W939-V942 WeakPolarHBondContact O-CG1 3.5Å; W939-V942 PolarHBondContact O-N 2.85Å; P940-V942 VanDerWaalsContact C-N 3.34Å; V942-Q944 PolarHBondContact O-N 2.9Å; V942-L945 HydrophobicContact CG2-CD1 4.28Å; V942-L945 WeakPolarHBondContact O-CB 3.2Å; V942-L945 WeakPolarHBondContact O-CG 3.07Å; V942-L945 PolarHBondContact O-N 2.8Å; V942-I948 HydrophobicContact CB-CD1 4.36Å; V942-I948 HydrophobicContact CG2-CD1 3.31Å; V942-I948 VanDerWaalsContact O-CD1 3.27Å; V942-I948 WeakPolarHBondContact O-CD1 3.11Å
943	S	88.7	Confident	87.7	Confident	64 Å²	64	69.9 Å²	69.9	45%	0.448	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-69.5	-11.6	176.5	-45.4	0	0	0	0	113.3	E936 G941 K949	E936-S943 WeakPolarHBondContact OE1-CA 3.44Å; E936-S943 WeakPolarHBondContact OE1-CB 3.21Å; E936-S943 PolarHBondContact OE1-N 2.83Å; E936-S943 PolarHBondContact OE1-OG 2.74Å; G941-S943 VanDerWaalsContact C-N 3.29Å; G941-S943 PolarHBondContact O-N 2.84Å; S943-K949 WeakPolarHBondContact O-CE 3.16Å
944	Q	88.5	Confident	87.4	Confident	144 Å²	144	71.9 Å²	71.9	67%	0.673	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-84.9	-23.4	177.9	-51.8	-172.3	29.8	0	0	112	G941 V942 K949	G941-Q944 VanDerWaalsContact O-CB 3.25Å; G941-Q944 WeakPolarHBondContact O-CB 3.3Å; G941-Q944 PolarHBondContact O-N 2.93Å; V942-Q944 PolarHBondContact O-N 2.9Å; Q944-K949 WeakPolarHBondContact O-CE 3.29Å; Q944-K949 PolarHBondContact O-NZ 2.84Å
945	L	88.5	Confident	87.2	Confident	27 Å²	27	79.6 Å²	79.6	14%	0.141	41%	0.411	C	S	.	.	S	Bend	trans	-62.6	141.9	-173.3	-61.8	176.5	0	0	0	112.9	L887 W939 V942 G947 I948	L887-L945 HydrophobicContact CB-CB 4.17Å; L887-L945 HydrophobicContact CB-CD1 3.96Å; L887-L945 HydrophobicContact CD1-CD1 3.88Å; W939-L945 HydrophobicContact CH2-CD1 3.59Å; W939-L945 HydrophobicContact CZ2-CD1 3.46Å; W939-L945 VanDerWaalsContact CZ2-CD1 3.46Å; W939-L945 HydrophobicContact CZ3-CD1 4.28Å; V942-L945 HydrophobicContact CG2-CD1 4.28Å; V942-L945 WeakPolarHBondContact O-CB 3.2Å; V942-L945 WeakPolarHBondContact O-CG 3.07Å; V942-L945 PolarHBondContact O-N 2.8Å; L945-G947 VanDerWaalsContact C-N 3.33Å; L945-G947 PolarHBondContact O-N 2.92Å; L945-I948 PolarHBondContact O-N 2.89Å
946	P	86.5	Confident	87.1	Confident	58 Å²	58	79.4 Å²	79.4	38%	0.377	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-37.5	-176.7	-28.2	35.5	0	0	0	115.3	L887 K950	L887-P946 WeakPolarHBondContact O-CD 3.44Å; P946-K950 WeakPolarHBondContact O-CD 3.44Å; P946-K950 VanDerWaalsContact O-CG 3.29Å; P946-K950 WeakPolarHBondContact O-CG 3.4Å
947	G	83	Confident	86.9	Confident	12 Å²	12	79.9 Å²	79.9	12%	0.124	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-39.5	-175.4	0	0	0	0	0	114	L887 L945 K949 K950 C951	L887-G947 PolarHBondContact O-N 3.03Å; L945-G947 VanDerWaalsContact C-N 3.33Å; L945-G947 PolarHBondContact O-N 2.92Å; G947-K949 VanDerWaalsContact C-N 3.32Å; G947-K949 PolarHBondContact O-N 2.95Å; G947-K950 PolarHBondContact O-N 2.83Å; G947-K950 VanDerWaalsContact O-N 3.15Å; G947-C951 PolarHBondContact O-N 3.39Å
948	I	85	Confident	86.6	Confident	43 Å²	43	77.3 Å²	77.3	22%	0.221	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-35.3	-179.7	-88.3	160.1	0	0	0	112	L887 V942 L945 K950	L887-I948 HydrophobicContact CD1-CD1 3.74Å; L887-I948 HydrophobicContact CD1-CG1 4.19Å; L887-I948 HydrophobicContact CD2-CD1 4.31Å; L887-I948 HydrophobicContact CD2-CG1 3.82Å; V942-I948 HydrophobicContact CB-CD1 4.36Å; V942-I948 HydrophobicContact CG2-CD1 3.31Å; V942-I948 VanDerWaalsContact O-CD1 3.27Å; V942-I948 WeakPolarHBondContact O-CD1 3.11Å; L945-I948 PolarHBondContact O-N 2.89Å; I948-K950 VanDerWaalsContact C-N 3.26Å; I948-K950 PolarHBondContact O-N 2.93Å
949	K	78.1	Confident	86.2	Confident	148 Å²	148	76.6 Å²	76.6	64%	0.643	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.2	177.4	-65.3	173.5	-177.3	161.8	0	113.6	S943 Q944 G947	S943-K949 WeakPolarHBondContact O-CE 3.16Å; Q944-K949 WeakPolarHBondContact O-CE 3.29Å; Q944-K949 PolarHBondContact O-NZ 2.84Å; G947-K949 VanDerWaalsContact C-N 3.32Å; G947-K949 PolarHBondContact O-N 2.95Å
950	K	79.9	Confident	86.1	Confident	166 Å²	166	78.7 Å²	78.7	72%	0.722	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-22.7	-175.2	-72.1	171.7	-176.3	178.5	0	113.6	P946 G947 I948	P946-K950 WeakPolarHBondContact O-CD 3.44Å; P946-K950 VanDerWaalsContact O-CG 3.29Å; P946-K950 WeakPolarHBondContact O-CG 3.4Å; G947-K950 PolarHBondContact O-N 2.83Å; G947-K950 VanDerWaalsContact O-N 3.15Å; I948-K950 VanDerWaalsContact C-N 3.26Å; I948-K950 PolarHBondContact O-N 2.93Å
951	C	79.5	Confident	86.1	Confident	41 Å²	41	75 Å²	75	28%	0.277	39%	0.387	S	S	.	.			trans	-129	141.1	-171.9	-59.1	0	0	0	0	111.3	G947 F953	G947-C951 PolarHBondContact O-N 3.39Å; C951-F953 HydrophobicContact CB-CD2 4.23Å; C951-F953 HydrophobicContact CB-CE1 4.25Å; C951-F953 HydrophobicContact CB-CE2 3.54Å; C951-F953 HydrophobicContact CB-CZ 3.53Å
952	V	80.2	Confident	86.3	Confident	148 Å²	148	77.7 Å²	77.7	90%	0.897	39%	0.391	S	S	*	.			trans	-90.7	123.6	168.4	-177.8	0	0	0	0	107.8
953	F	83.8	Confident	86.4	Confident	33 Å²	33	87.2 Å²	87.2	15%	0.145	43%	0.427	C	S	.	.			trans	-109.5	152.7	179.4	-64.2	-80.3	0	0	0	110.9	V921 L924 F928 C951	V921-F953 HydrophobicContact CG1-CE1 4.15Å; L924-F953 HydrophobicContact CB-CE1 3.7Å; L924-F953 HydrophobicContact CB-CZ 4.21Å; L924-F953 HydrophobicContact CD1-CE1 4.01Å; L924-F953 HydrophobicContact CD1-CZ 3.66Å; F928-F953 HydrophobicContact CD2-CB 4.04Å; F928-F953 AromaticContact CD2-CD1 3.97Å; F928-F953 HydrophobicContact CD2-CD1 3.97Å; F928-F953 HydrophobicContact CD2-CG 4.01Å; F928-F953 HydrophobicContact CE2-CB 4.03Å; F928-F953 AromaticContact CE2-CD1 3.7Å; F928-F953 HydrophobicContact CE2-CD1 3.7Å; F928-F953 AromaticContact CE2-CD2 3.89Å; F928-F953 HydrophobicContact CE2-CD2 3.89Å; F928-F953 HydrophobicContact CE2-CE1 4.08Å; F928-F953 HydrophobicContact CE2-CE2 4.25Å; F928-F953 AromaticContact CE2-CG 3.59Å; F928-F953 HydrophobicContact CE2-CG 3.59Å; F928-F953 HydrophobicContact CE2-CZ 4.34Å; C951-F953 HydrophobicContact CB-CD2 4.23Å; C951-F953 HydrophobicContact CB-CE1 4.25Å; C951-F953 HydrophobicContact CB-CE2 3.54Å; C951-F953 HydrophobicContact CB-CZ 3.53Å
954	T	86.4	Confident	86.7	Confident	76 Å²	76	86.8 Å²	86.8	47%	0.466	42%	0.415	S	S	.	.			trans	-69.5	138.9	168.4	-54.2	0	0	0	0	109.5	T933 Y956	T933-T954 PolarHBondContact OG1-O 3Å; T954-Y956 HydrophobicContact CG2-CD1 4.49Å; T954-Y956 HydrophobicContact CG2-CD2 4.46Å; T954-Y956 HydrophobicContact CG2-CE1 3.98Å; T954-Y956 HydrophobicContact CG2-CE2 3.99Å; T954-Y956 WeakPolarHBondContact O-CD2 3.43Å
955	E	88.3	Confident	87	Confident	176 Å²	176	80.7 Å²	80.7	82%	0.822	39%	0.386	S	S	*	.			trans	-80.4	121.6	170.9	-68.2	-175.1	-174.7	0	0	110.4	T933	T933-E955 WeakPolarHBondContact OG1-CA 3.46Å
956	Y	89.6	Confident	87.2	Confident	69 Å²	69	83 Å²	83	27%	0.271	40%	0.402	S	S	.	.			trans	-115	139.8	177.8	-67.9	-72.6	0	0	0	110.8	F928 R929 G932 T933 T954	F928-Y956 HydrophobicContact CB-CD2 3.9Å; F928-Y956 HydrophobicContact CB-CE2 4.44Å; F928-Y956 VanDerWaalsContact O-CB 3.24Å; F928-Y956 WeakPolarHBondContact O-CB 3.18Å; R929-Y956 HydrophobicContact CB-CD1 4.33Å; R929-Y956 HydrophobicContact CB-CD2 4.27Å; R929-Y956 HydrophobicContact CB-CE1 4.14Å; R929-Y956 HydrophobicContact CB-CE2 4.04Å; R929-Y956 HydrophobicContact CB-CG 4.4Å; R929-Y956 HydrophobicContact CG-CD1 4.32Å; R929-Y956 HydrophobicContact CG-CE1 4.03Å; G932-Y956 WeakPolarHBondContact CA-O 3.49Å; T933-Y956 PolarHBondContact N-O 2.92Å; T933-Y956 VanDerWaalsContact N-O 3.11Å; T933-Y956 PolarHBondContact OG1-N 3.43Å; T954-Y956 HydrophobicContact CG2-CD1 4.49Å; T954-Y956 HydrophobicContact CG2-CD2 4.46Å; T954-Y956 HydrophobicContact CG2-CE1 3.98Å; T954-Y956 HydrophobicContact CG2-CE2 3.99Å; T954-Y956 WeakPolarHBondContact O-CD2 3.43Å
957	P	88.7	Confident	87.4	Confident	87 Å²	87	87.8 Å²	87.8	57%	0.565	42%	0.419	S	S	*	.			trans	-64.6	154.5	178.2	29.6	-36.2	0	0	0	111.3	G932 N959	G932-P957 WeakPolarHBondContact CA-O 3.31Å; P957-N959 PolarHBondContact O-N 3.09Å
958	Y	85.5	Confident	87.7	Confident	167 Å²	167	96.5 Å²	96.5	66%	0.655	45%	0.454	S	S	*	.	S	Bend	trans	-54.3	132.5	-177	-178.3	-104.7	0	0	0	112.9
959	N	82.6	Confident	88.1	Confident	34 Å²	34	96.9 Å²	96.9	18%	0.182	45%	0.454	C	S	.	.			trans	37.5	89.9	166.9	-158.3	-22.6	0	0	0	116.7	L931 P957 L961 N979	L931-N959 WeakPolarHBondContact O-CA 3.35Å; L931-N959 PolarHBondContact O-N 3.05Å; P957-N959 PolarHBondContact O-N 3.09Å; N959-L961 WeakPolarHBondContact OD1-CB 3.45Å; N959-L961 PolarHBondContact OD1-N 3.09Å; N959-L961 VanDerWaalsContact OD1-N 3.08Å; N959-N979 PolarHBondContact ND2-OD1 3.34Å
960	Q	90.2	Very high	89	Confident	59 Å²	59	89.9 Å²	89.9	28%	0.276	42%	0.424	S	S	.	.			trans	-93.7	1.1	169.2	-62.3	-63.1	-61.5	0	0	112.9	D930 R962 R963	D930-Q960 CarbonylContact O-C 3.3Å; D930-Q960 WeakPolarHBondContact O-CA 3.07Å; D930-Q960 PolarHBondContact O-N 3.03Å; Q960-R962 VanDerWaalsContact C-N 3.29Å; Q960-R962 PolarHBondContact O-N 3.08Å; Q960-R963 VanDerWaalsContact O-CB 3.32Å; Q960-R963 WeakPolarHBondContact O-CB 3.4Å; Q960-R963 PolarHBondContact O-N 3.1Å
961	L	94.2	Very high	89.7	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-58.3	-36.3	-168.5	-175.5	68.5	0	0	0	113	L914 D930 L931 N959 R963 R964 F965 F975 L978 L982	L914-L961 HydrophobicContact CD1-CD1 3.98Å; L914-L961 HydrophobicContact CD2-CD1 4.18Å; D930-L961 HydrophobicContact CB-CD1 4.36Å; D930-L961 PolarHBondContact O-N 3.13Å; L931-L961 HydrophobicContact CD2-CB 4.13Å; L931-L961 HydrophobicContact CD2-CD2 3.95Å; L931-L961 HydrophobicContact CD2-CG 4.41Å; N959-L961 WeakPolarHBondContact OD1-CB 3.45Å; N959-L961 PolarHBondContact OD1-N 3.09Å; N959-L961 VanDerWaalsContact OD1-N 3.08Å; L961-R963 PolarHBondContact O-N 3.46Å; L961-R963 VanDerWaalsContact O-N 3.07Å; L961-R964 HydrophobicContact CD1-CG 4.44Å; L961-R964 VanDerWaalsContact O-CB 3.31Å; L961-R964 WeakPolarHBondContact O-CB 3.42Å; L961-R964 PolarHBondContact O-N 3.26Å; L961-F965 HydrophobicContact CD1-CE2 4.01Å; L961-F965 HydrophobicContact CG-CE2 4.01Å; L961-F965 WeakPolarHBondContact O-CD2 3.31Å; L961-F975 HydrophobicContact CB-CE2 4.25Å; L961-F975 HydrophobicContact CB-CZ 4.15Å; L961-F975 HydrophobicContact CD2-CE2 4.04Å; L961-F975 HydrophobicContact CD2-CZ 4.41Å; L961-F975 HydrophobicContact CG-CE2 4.02Å; L961-F975 HydrophobicContact CG-CZ 4.4Å; L961-L978 HydrophobicContact CD2-CD2 4.04Å; L961-L978 HydrophobicContact CD2-CG 4.2Å; L961-L982 HydrophobicContact CD2-CD1 3.83Å
962	R	94.5	Very high	90.5	Very high	77 Å²	77	86.7 Å²	86.7	29%	0.291	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-53.9	-32.6	179	-175.8	56.3	172.8	-103.3	-0.2	112	Q960 R964 F965 D972 F975	Q960-R962 VanDerWaalsContact C-N 3.29Å; Q960-R962 PolarHBondContact O-N 3.08Å; R962-R964 PolarHBondContact O-N 3.28Å; R962-F965 PolarHBondContact O-N 3.48Å; R962-F965 VanDerWaalsContact O-N 3.15Å; R962-F965 VanDerWaalsContact O-O 3.06Å; R962-D972 IonicContact CZ-OD1 3.85Å; R962-D972 IonicContact NH1-OD1 3.97Å; R962-D972 PolarHBondContact NH1-OD1 2.76Å; R962-D972 IonicContact NH2-OD1 2.67Å; R962-D972 PolarHBondContact NH2-OD1 2.89Å; R962-F975 VanDerWaalsContact CA-CZ 3.48Å; R962-F975 HydrophobicContact CB-CE1 3.84Å; R962-F975 HydrophobicContact CB-CE2 3.96Å; R962-F975 HydrophobicContact CB-CZ 3.5Å; R962-F975 VanDerWaalsContact CB-CZ 3.5Å; R962-F975 HydrophobicContact CG-CE1 4.38Å; R962-F975 HydrophobicContact CG-CZ 4.37Å; R962-F975 VanDerWaalsContact N-CZ 3.32Å
963	R	93.6	Very high	91.3	Very high	203 Å²	203	83.7 Å²	83.7	77%	0.766	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-68.4	-12.3	179.2	-57.4	174.1	63.8	-174.3	-0.2	113.9	Q960 L961	Q960-R963 VanDerWaalsContact O-CB 3.32Å; Q960-R963 WeakPolarHBondContact O-CB 3.4Å; Q960-R963 PolarHBondContact O-N 3.1Å; L961-R963 PolarHBondContact O-N 3.46Å; L961-R963 VanDerWaalsContact O-N 3.07Å
964	R	93.9	Very high	92	Very high	55 Å²	55	82.1 Å²	82.1	21%	0.208	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-80.7	-18	174	-62.5	-59.2	-162.1	97.7	0.7	113	L910 R929 D930 L961 R962	L910-R964 WeakPolarHBondContact CD2-O 3.43Å; R929-R964 VanDerWaalsContact NH2-NH2 3.17Å; D930-R964 IonicContact OD1-CZ 3.53Å; D930-R964 VanDerWaalsContact OD1-CZ 3.23Å; D930-R964 IonicContact OD1-NE 3.91Å; D930-R964 PolarHBondContact OD1-NE 2.79Å; D930-R964 IonicContact OD1-NH2 2.71Å; D930-R964 PolarHBondContact OD1-NH2 3.06Å; D930-R964 IonicContact OD2-CZ 2.75Å; D930-R964 IonicContact OD2-NE 2.99Å; D930-R964 PolarHBondContact OD2-NE 2.89Å; D930-R964 IonicContact OD2-NH1 3.95Å; D930-R964 IonicContact OD2-NH2 2.7Å; D930-R964 PolarHBondContact OD2-NH2 2.76Å; L961-R964 HydrophobicContact CD1-CG 4.44Å; L961-R964 VanDerWaalsContact O-CB 3.31Å; L961-R964 WeakPolarHBondContact O-CB 3.42Å; L961-R964 PolarHBondContact O-N 3.26Å; R962-R964 PolarHBondContact O-N 3.28Å
965	F	95.4	Very high	92.5	Very high	15 Å²	15	79.6 Å²	79.6	7%	0.066	37%	0.367	C	S	.	.	S	Bend	trans	-120.6	147.9	-172.9	-57.4	-91.9	0	0	0	111.2	A906 L909 L910 L914 L961 R962 I970 F975 L978	A906-F965 HydrophobicContact CB-CE1 4.28Å; A906-F965 HydrophobicContact CB-CZ 3.81Å; L909-F965 HydrophobicContact CB-CD1 4.29Å; L909-F965 HydrophobicContact CB-CE1 4.04Å; L909-F965 HydrophobicContact CD1-CD1 4.24Å; L909-F965 HydrophobicContact CD1-CE1 3.99Å; L910-F965 HydrophobicContact CD1-CE1 3.84Å; L910-F965 HydrophobicContact CD1-CZ 3.89Å; L910-F965 HydrophobicContact CD2-CD1 3.77Å; L910-F965 HydrophobicContact CD2-CE1 3.8Å; L910-F965 HydrophobicContact CD2-CG 4.47Å; L910-F965 HydrophobicContact CG-CD1 4.12Å; L910-F965 HydrophobicContact CG-CE1 3.63Å; L910-F965 HydrophobicContact CG-CZ 4.21Å; L914-F965 HydrophobicContact CD1-CZ 4.38Å; L961-F965 HydrophobicContact CD1-CE2 4.01Å; L961-F965 HydrophobicContact CG-CE2 4.01Å; L961-F965 WeakPolarHBondContact O-CD2 3.31Å; R962-F965 PolarHBondContact O-N 3.48Å; R962-F965 VanDerWaalsContact O-N 3.15Å; R962-F965 VanDerWaalsContact O-O 3.06Å; F965-I970 HydrophobicContact CB-CG2 3.63Å; F965-I970 HydrophobicContact CD1-CG2 4.36Å; F965-I970 HydrophobicContact CG-CG2 4.05Å; F965-F975 HydrophobicContact CD2-CE2 4.46Å; F965-L978 HydrophobicContact CD2-CD2 4.44Å; F965-L978 HydrophobicContact CE1-CD2 4.22Å; F965-L978 HydrophobicContact CE2-CD2 3.63Å; F965-L978 HydrophobicContact CZ-CD2 3.5Å; F965-L978 VanDerWaalsContact CZ-CD2 3.5Å
966	T	93.2	Very high	93	Very high	76 Å²	76	75.1 Å²	75.1	47%	0.466	35%	0.348	S	S	.	.			trans	-92.1	154.7	166.6	63.8	0	0	0	0	110.6	K968 Q969 I970	T966-K968 PolarHBondContact O-N 2.9Å; T966-K968 VanDerWaalsContact O-N 3.1Å; T966-Q969 WeakPolarHBondContact O-CB 3.46Å; T966-Q969 PolarHBondContact O-N 2.95Å; T966-Q969 WeakPolarHBondContact OG1-CG 3.49Å; T966-Q969 PolarHBondContact OG1-OE1 2.89Å; T966-I970 PolarHBondContact O-N 3.18Å
967	E	90.2	Very high	93.4	Very high	159 Å²	159	71.8 Å²	71.8	74%	0.743	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.8	174.7	-64.5	169.5	177.7	0	0	113
968	K	89.9	Confident	93.8	Very high	194 Å²	194	67.7 Å²	67.7	84%	0.843	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-23.4	173.5	-64.2	-173.5	178.4	-175.9	0	113.5	T966	T966-K968 PolarHBondContact O-N 2.9Å; T966-K968 VanDerWaalsContact O-N 3.1Å
969	Q	93.1	Very high	94.4	Very high	51 Å²	51	61.1 Å²	61.1	24%	0.238	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-41.3	178	-70.4	163.6	-72.2	0	0	111.2	L909 T966	L909-Q969 VanDerWaalsContact CD2-O 3.3Å; L909-Q969 WeakPolarHBondContact CD2-O 3.46Å; L909-Q969 PolarHBondContact O-NE2 3.41Å; T966-Q969 WeakPolarHBondContact O-CB 3.46Å; T966-Q969 PolarHBondContact O-N 2.95Å; T966-Q969 WeakPolarHBondContact OG1-CG 3.49Å; T966-Q969 PolarHBondContact OG1-OE1 2.89Å
970	I	95.6	Very high	95.1	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.01	29%	0.285	C	S	.	.			trans	-140.6	129.8	-173.8	-154.2	174.2	0	0	0	111.3	F905 L909 F965 T966 G974 F975 L978	F905-I970 HydrophobicContact CE1-CD1 4.4Å; F905-I970 HydrophobicContact CZ-CD1 4.18Å; L909-I970 HydrophobicContact CD1-CB 4.18Å; L909-I970 HydrophobicContact CD1-CD1 3.64Å; L909-I970 HydrophobicContact CD1-CG1 4.02Å; F965-I970 HydrophobicContact CB-CG2 3.63Å; F965-I970 HydrophobicContact CD1-CG2 4.36Å; F965-I970 HydrophobicContact CG-CG2 4.05Å; T966-I970 PolarHBondContact O-N 3.18Å; I970-G974 VanDerWaalsContact CD1-C 3.44Å; I970-G974 WeakPolarHBondContact CD1-O 3.29Å; I970-F975 HydrophobicContact CD1-CB 4.25Å; I970-F975 HydrophobicContact CD1-CD2 4.47Å; I970-F975 HydrophobicContact CG1-CB 4.48Å; I970-F975 HydrophobicContact CG2-CB 4.37Å; I970-F975 HydrophobicContact CG2-CD2 4.43Å; I970-L978 HydrophobicContact CD1-CB 4.2Å; I970-L978 HydrophobicContact CD1-CD2 4.01Å
971	S	96.3	Very high	95.5	Very high	35 Å²	35	58 Å²	58	25%	0.245	27%	0.272	C	S	.	.			trans	-73.4	169	170.4	58.5	0	0	0	0	111	Q973 G974 F975 E1003	S971-Q973 VanDerWaalsContact C-N 3.3Å; S971-Q973 PolarHBondContact O-N 3.39Å; S971-G974 PolarHBondContact O-N 2.94Å; S971-G974 PolarHBondContact OG-N 3.3Å; S971-F975 WeakPolarHBondContact O-CB 3.37Å; S971-F975 PolarHBondContact O-N 3.05Å; S971-E1003 WeakPolarHBondContact CB-OE1 3.33Å; S971-E1003 WeakPolarHBondContact CB-OE2 3.3Å; S971-E1003 PolarHBondContact OG-OE1 3.47Å; S971-E1003 PolarHBondContact OG-OE2 3.3Å
972	D	96.4	Very high	95.7	Very high	104 Å²	104	58.2 Å²	58.2	56%	0.556	27%	0.274	S	S	*	.	H	α-helix	trans	-61.8	-38	173.8	-64.9	-44.3	0	0	0	112.2	R962 F975 D976	R962-D972 IonicContact CZ-OD1 3.85Å; R962-D972 IonicContact NH1-OD1 3.97Å; R962-D972 PolarHBondContact NH1-OD1 2.76Å; R962-D972 IonicContact NH2-OD1 2.67Å; R962-D972 PolarHBondContact NH2-OD1 2.89Å; D972-F975 PolarHBondContact O-N 3.44Å; D972-D976 WeakPolarHBondContact O-CB 3.43Å; D972-D976 PolarHBondContact O-N 3.34Å
973	Q	97	Very high	95.8	Very high	85 Å²	85	56.6 Å²	56.6	40%	0.397	27%	0.272	S	S	.	.	H	α-helix	trans	-67.9	-35.2	175.8	-58.3	-65.4	-34.8	0	0	112.1	S971 L977 H998 S999 E1003	S971-Q973 VanDerWaalsContact C-N 3.3Å; S971-Q973 PolarHBondContact O-N 3.39Å; Q973-L977 PolarHBondContact O-N 3.44Å; Q973-L977 VanDerWaalsContact O-N 3.12Å; Q973-H998 PolarHBondContact O-CE1 3.22Å; Q973-S999 PolarHBondContact OE1-OG 2.89Å; Q973-E1003 WeakPolarHBondContact CB-OE2 3.35Å
974	G	97.4	Very high	95.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.5	-37.9	173.2	0	0	0	0	0	112.2	I970 S971 L977 L978 Y1000	I970-G974 VanDerWaalsContact CD1-C 3.44Å; I970-G974 WeakPolarHBondContact CD1-O 3.29Å; S971-G974 PolarHBondContact O-N 2.94Å; S971-G974 PolarHBondContact OG-N 3.3Å; G974-L977 PolarHBondContact O-N 3.12Å; G974-L978 WeakPolarHBondContact O-CB 3.4Å; G974-L978 PolarHBondContact O-N 2.65Å; G974-Y1000 VanDerWaalsContact N-CD2 3.26Å
975	F	97.4	Very high	95.9	Very high	23 Å²	23	45.3 Å²	45.3	10%	0.101	23%	0.231	C	C	.	.	H	α-helix	trans	-69.7	-36.6	177	-170.4	-107.8	0	0	0	111.7	L961 R962 F965 I970 S971 D972 L978 N979	L961-F975 HydrophobicContact CB-CE2 4.25Å; L961-F975 HydrophobicContact CB-CZ 4.15Å; L961-F975 HydrophobicContact CD2-CE2 4.04Å; L961-F975 HydrophobicContact CD2-CZ 4.41Å; L961-F975 HydrophobicContact CG-CE2 4.02Å; L961-F975 HydrophobicContact CG-CZ 4.4Å; R962-F975 VanDerWaalsContact CA-CZ 3.48Å; R962-F975 HydrophobicContact CB-CE1 3.84Å; R962-F975 HydrophobicContact CB-CE2 3.96Å; R962-F975 HydrophobicContact CB-CZ 3.5Å; R962-F975 VanDerWaalsContact CB-CZ 3.5Å; R962-F975 HydrophobicContact CG-CE1 4.38Å; R962-F975 HydrophobicContact CG-CZ 4.37Å; R962-F975 VanDerWaalsContact N-CZ 3.32Å; F965-F975 HydrophobicContact CD2-CE2 4.46Å; I970-F975 HydrophobicContact CD1-CB 4.25Å; I970-F975 HydrophobicContact CD1-CD2 4.47Å; I970-F975 HydrophobicContact CG1-CB 4.48Å; I970-F975 HydrophobicContact CG2-CB 4.37Å; I970-F975 HydrophobicContact CG2-CD2 4.43Å; S971-F975 WeakPolarHBondContact O-CB 3.37Å; S971-F975 PolarHBondContact O-N 3.05Å; D972-F975 PolarHBondContact O-N 3.44Å; F975-L978 HydrophobicContact CD2-CD2 4.46Å; F975-L978 PolarHBondContact O-N 3.45Å; F975-N979 WeakPolarHBondContact CD1-ND2 3.41Å; F975-N979 WeakPolarHBondContact CE1-ND2 3.49Å; F975-N979 WeakPolarHBondContact CZ-ND2 3.21Å; F975-N979 PolarHBondContact O-N 3.1Å; F975-N979 PolarHBondContact O-ND2 3.02Å
976	D	97.4	Very high	95.9	Very high	82 Å²	82	45.7 Å²	45.7	44%	0.439	24%	0.235	S	C	.	.	H	α-helix	trans	-61.9	-45.7	171.4	-170.2	57.5	0	0	0	112	D972 L978 N979 S980 H998	D972-D976 WeakPolarHBondContact O-CB 3.43Å; D972-D976 PolarHBondContact O-N 3.34Å; D976-L978 VanDerWaalsContact C-N 3.33Å; D976-L978 PolarHBondContact O-N 3.25Å; D976-N979 PolarHBondContact O-N 3.33Å; D976-S980 WeakPolarHBondContact O-CB 3.01Å; D976-S980 PolarHBondContact O-N 2.94Å; D976-S980 PolarHBondContact O-OG 3.21Å; D976-H998 IonicContact OD2-CE1 2.75Å; D976-H998 IonicContact OD2-NE2 3.64Å
977	L	98.4	Very high	95.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-41.9	173	-178.2	57.7	0	0	0	112.2	L820 F905 Q973 G974 S980 F981 I990 A995 H998 Y1000 F1001	L820-L977 HydrophobicContact CD2-CD2 4.11Å; F905-L977 HydrophobicContact CE1-CD2 4.43Å; F905-L977 HydrophobicContact CE1-CG 4.45Å; Q973-L977 PolarHBondContact O-N 3.44Å; Q973-L977 VanDerWaalsContact O-N 3.12Å; G974-L977 PolarHBondContact O-N 3.12Å; L977-S980 WeakPolarHBondContact O-CB 3.42Å; L977-S980 PolarHBondContact O-N 2.8Å; L977-F981 HydrophobicContact CD1-CD2 4.35Å; L977-F981 HydrophobicContact CD1-CE1 4.5Å; L977-F981 HydrophobicContact CD1-CE2 3.71Å; L977-F981 HydrophobicContact CD1-CZ 3.77Å; L977-F981 HydrophobicContact CD2-CE2 4.13Å; L977-F981 HydrophobicContact CG-CD2 4.2Å; L977-F981 HydrophobicContact CG-CE2 3.59Å; L977-F981 HydrophobicContact CG-CZ 4.14Å; L977-F981 VanDerWaalsContact O-CD2 3.27Å; L977-F981 WeakPolarHBondContact O-CD2 3.48Å; L977-F981 PolarHBondContact O-N 3.39Å; L977-I990 HydrophobicContact CD1-CD1 4.07Å; L977-A995 HydrophobicContact CD1-CB 4.14Å; L977-H998 HydrophobicContact CD1-CB 4.08Å; L977-H998 HydrophobicContact CD2-CB 4.37Å; L977-Y1000 HydrophobicContact CD2-CD1 3.63Å; L977-Y1000 HydrophobicContact CD2-CE1 4.46Å; L977-Y1000 HydrophobicContact CD2-CG 4.22Å; L977-F1001 HydrophobicContact CD2-CE2 3.86Å; L977-F1001 HydrophobicContact CD2-CZ 3.93Å
978	L	98.3	Very high	96.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-44	177.7	-179	61.7	0	0	0	112	G902 F905 A906 L961 F965 I970 G974 F975 D976 S980 F981 L982	G902-L978 VanDerWaalsContact O-CD1 3.32Å; G902-L978 WeakPolarHBondContact O-CD1 3.4Å; F905-L978 HydrophobicContact CD1-CB 4.14Å; F905-L978 HydrophobicContact CD1-CD1 3.86Å; F905-L978 HydrophobicContact CE1-CB 3.97Å; A906-L978 HydrophobicContact CB-CD1 4.2Å; L961-L978 HydrophobicContact CD2-CD2 4.04Å; L961-L978 HydrophobicContact CD2-CG 4.2Å; F965-L978 HydrophobicContact CD2-CD2 4.44Å; F965-L978 HydrophobicContact CE1-CD2 4.22Å; F965-L978 HydrophobicContact CE2-CD2 3.63Å; F965-L978 HydrophobicContact CZ-CD2 3.5Å; F965-L978 VanDerWaalsContact CZ-CD2 3.5Å; I970-L978 HydrophobicContact CD1-CB 4.2Å; I970-L978 HydrophobicContact CD1-CD2 4.01Å; G974-L978 WeakPolarHBondContact O-CB 3.4Å; G974-L978 PolarHBondContact O-N 2.65Å; F975-L978 HydrophobicContact CD2-CD2 4.46Å; F975-L978 PolarHBondContact O-N 3.45Å; D976-L978 VanDerWaalsContact C-N 3.33Å; D976-L978 PolarHBondContact O-N 3.25Å; L978-S980 VanDerWaalsContact C-N 3.28Å; L978-S980 PolarHBondContact O-N 2.74Å; L978-F981 PolarHBondContact O-N 2.83Å; L978-L982 HydrophobicContact CD1-CD1 3.86Å; L978-L982 HydrophobicContact CD1-CG 4.28Å; L978-L982 HydrophobicContact CG-CD1 4.12Å; L978-L982 WeakPolarHBondContact O-CB 3.35Å; L978-L982 WeakPolarHBondContact O-CG 3.34Å; L978-L982 PolarHBondContact O-N 3.27Å
979	N	97	Very high	96.5	Very high	29 Å²	29	38.3 Å²	38.3	16%	0.155	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-34.5	173.7	-72.1	-65.5	0	0	0	112	N959 F975 D976 F981 L982 T983	N959-N979 PolarHBondContact ND2-OD1 3.34Å; F975-N979 WeakPolarHBondContact CD1-ND2 3.41Å; F975-N979 WeakPolarHBondContact CE1-ND2 3.49Å; F975-N979 WeakPolarHBondContact CZ-ND2 3.21Å; F975-N979 PolarHBondContact O-N 3.1Å; F975-N979 PolarHBondContact O-ND2 3.02Å; D976-N979 PolarHBondContact O-N 3.33Å; N979-F981 VanDerWaalsContact C-N 3.31Å; N979-F981 PolarHBondContact O-N 2.78Å; N979-L982 CarbonylContact O-C 3.41Å; N979-L982 PolarHBondContact O-N 3.21Å; N979-T983 PolarHBondContact O-N 3.12Å; N979-T983 PolarHBondContact O-OG1 3.14Å
980	S	98	Very high	96.7	Very high	28 Å²	28	36.9 Å²	36.9	20%	0.196	19%	0.194	C	C	.	.	H	α-helix	trans	-65.2	-33.1	177.2	-64.6	0	0	0	0	112.6	D976 L977 L978 R989 I990	D976-S980 WeakPolarHBondContact O-CB 3.01Å; D976-S980 PolarHBondContact O-N 2.94Å; D976-S980 PolarHBondContact O-OG 3.21Å; L977-S980 WeakPolarHBondContact O-CB 3.42Å; L977-S980 PolarHBondContact O-N 2.8Å; L978-S980 VanDerWaalsContact C-N 3.28Å; L978-S980 PolarHBondContact O-N 2.74Å; S980-R989 WeakPolarHBondContact O-CG 3.04Å; S980-I990 WeakPolarHBondContact O-CG2 3.13Å; S980-I990 PolarHBondContact O-N 2.97Å
981	F	98.5	Very high	96.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-74.7	-41.5	167.8	-66.2	-53.8	0	0	0	112.9	L820 L824 L898 V901 F905 L977 L978 N979 T983 R989 I990 A995	L820-F981 HydrophobicContact CD1-CE2 4.46Å; L820-F981 HydrophobicContact CD2-CE2 4.47Å; L824-F981 HydrophobicContact CD1-CZ 4.17Å; L824-F981 HydrophobicContact CD2-CE1 3.93Å; L824-F981 HydrophobicContact CD2-CZ 3.83Å; L898-F981 HydrophobicContact CB-CD1 4.32Å; L898-F981 HydrophobicContact CD1-CD1 4.23Å; L898-F981 HydrophobicContact CD1-CE1 3.94Å; V901-F981 HydrophobicContact CG1-CD1 4.48Å; V901-F981 HydrophobicContact CG1-CE1 4.13Å; V901-F981 HydrophobicContact CG1-CE2 4.28Å; V901-F981 HydrophobicContact CG1-CZ 4.02Å; F905-F981 HydrophobicContact CD1-CD2 4.24Å; F905-F981 HydrophobicContact CD1-CE2 4.23Å; L977-F981 HydrophobicContact CD1-CD2 4.35Å; L977-F981 HydrophobicContact CD1-CE1 4.5Å; L977-F981 HydrophobicContact CD1-CE2 3.71Å; L977-F981 HydrophobicContact CD1-CZ 3.77Å; L977-F981 HydrophobicContact CD2-CE2 4.13Å; L977-F981 HydrophobicContact CG-CD2 4.2Å; L977-F981 HydrophobicContact CG-CE2 3.59Å; L977-F981 HydrophobicContact CG-CZ 4.14Å; L977-F981 VanDerWaalsContact O-CD2 3.27Å; L977-F981 WeakPolarHBondContact O-CD2 3.48Å; L977-F981 PolarHBondContact O-N 3.39Å; L978-F981 PolarHBondContact O-N 2.83Å; N979-F981 VanDerWaalsContact C-N 3.31Å; N979-F981 PolarHBondContact O-N 2.78Å; F981-T983 PolarHBondContact O-N 2.81Å; F981-R989 WeakPolarHBondContact O-CD 3.39Å; F981-R989 VanDerWaalsContact O-CG 3.25Å; F981-R989 WeakPolarHBondContact O-CG 3.41Å; F981-I990 HydrophobicContact CD1-CG2 3.35Å; F981-I990 HydrophobicContact CE1-CG2 3.56Å; F981-I990 HydrophobicContact CG-CG2 4.11Å; F981-I990 HydrophobicContact CZ-CG2 4.47Å; F981-A995 HydrophobicContact CE1-CB 3.72Å; F981-A995 HydrophobicContact CZ-CB 3.7Å
982	L	98	Very high	96.9	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	20%	0.197	C	C	.	.	S	Bend	trans	-88.5	23.1	-177.4	-60.5	179.3	0	0	0	113.5	W899 L914 F915 L931 L961 L978 N979 Y984	W899-L982 HydrophobicContact CD2-CD2 3.98Å; W899-L982 HydrophobicContact CE3-CD2 4.09Å; W899-L982 HydrophobicContact CH2-CD2 4.36Å; W899-L982 HydrophobicContact CZ2-CD2 4.23Å; W899-L982 HydrophobicContact CZ3-CB 4.26Å; W899-L982 HydrophobicContact CZ3-CD2 4.29Å; W899-L982 WeakPolarHBondContact CZ3-O 3.44Å; L914-L982 HydrophobicContact CD2-CD1 3.65Å; F915-L982 HydrophobicContact CE2-CD2 4.29Å; F915-L982 HydrophobicContact CZ-CD1 4.37Å; L931-L982 HydrophobicContact CD1-CB 4.33Å; L931-L982 HydrophobicContact CD2-CB 4.43Å; L961-L982 HydrophobicContact CD2-CD1 3.83Å; L978-L982 HydrophobicContact CD1-CD1 3.86Å; L978-L982 HydrophobicContact CD1-CG 4.28Å; L978-L982 HydrophobicContact CG-CD1 4.12Å; L978-L982 WeakPolarHBondContact O-CB 3.35Å; L978-L982 WeakPolarHBondContact O-CG 3.34Å; L978-L982 PolarHBondContact O-N 3.27Å; N979-L982 CarbonylContact O-C 3.41Å; N979-L982 PolarHBondContact O-N 3.21Å; L982-Y984 PolarHBondContact O-N 2.61Å
983	T	96.9	Very high	96.9	Very high	43 Å²	43	35.6 Å²	35.6	26%	0.264	18%	0.184	S	C	.	.			trans	-72.6	125.2	175.5	-72.9	0	0	0	0	110.1	N979 F981 K988 R989	N979-T983 PolarHBondContact O-N 3.12Å; N979-T983 PolarHBondContact O-OG1 3.14Å; F981-T983 PolarHBondContact O-N 2.81Å; T983-K988 HydrophobicContact CG2-CB 3.89Å; T983-R989 PolarHBondContact O-NE 3.49Å; T983-R989 PolarHBondContact O-NH2 3.26Å; T983-R989 VanDerWaalsContact O-NH2 3.16Å
984	Y	95.8	Very high	97	Very high	12 Å²	12	38 Å²	38	5%	0.047	19%	0.194	C	C	.	.	S	Bend	trans	-54.5	-56.9	-178.1	-83.3	-65.6	0	0	0	113.3	P883 I927 F928 L931 G932 P934 I938 W939 L982 P986 R989	P883-Y984 HydrophobicContact CB-CD1 4.19Å; P883-Y984 HydrophobicContact CB-CE1 4.31Å; P883-Y984 HydrophobicContact CG-CD1 3.87Å; P883-Y984 HydrophobicContact CG-CE1 4.33Å; I927-Y984 HydrophobicContact CG2-CE1 4Å; F928-Y984 HydrophobicContact CD1-CE1 4.2Å; F928-Y984 VanDerWaalsContact CD1-OH 3.23Å; F928-Y984 WeakPolarHBondContact CD1-OH 3.45Å; F928-Y984 HydrophobicContact CE1-CE1 4.08Å; L931-Y984 HydrophobicContact CB-CE2 3.79Å; L931-Y984 HydrophobicContact CD1-CE2 4.35Å; G932-Y984 WeakPolarHBondContact O-CE2 3.45Å; G932-Y984 PolarHBondContact O-OH 3.16Å; P934-Y984 HydrophobicContact CB-CD1 4.24Å; P934-Y984 HydrophobicContact CB-CD2 4.25Å; P934-Y984 HydrophobicContact CB-CE1 4.29Å; P934-Y984 HydrophobicContact CB-CE2 4.25Å; P934-Y984 HydrophobicContact CB-CG 4.22Å; P934-Y984 HydrophobicContact CG-CE1 4.24Å; I938-Y984 HydrophobicContact CD1-CD2 3.63Å; I938-Y984 HydrophobicContact CD1-CE2 4.04Å; I938-Y984 HydrophobicContact CG1-CD2 4.48Å; W939-Y984 HydrophobicContact CE3-CD1 4.06Å; W939-Y984 HydrophobicContact CE3-CG 4.27Å; W939-Y984 HydrophobicContact CZ3-CD1 4.12Å; L982-Y984 PolarHBondContact O-N 2.61Å; Y984-P986 VanDerWaalsContact O-CD 3.28Å; Y984-P986 WeakPolarHBondContact O-CD 3.41Å; Y984-R989 PolarHBondContact O-NH2 3.37Å
985	C	94.5	Very high	97	Very high	8 Å²	8	38 Å²	38	5%	0.054	19%	0.194	C	C	.	.	S	Bend	trans	-67.3	116.7	-177.2	-174.7	0	0	0	0	110.6	W939 D987 K988 R989	W939-C985 HydrophobicContact CB-CB 4.34Å; W939-C985 HydrophobicContact CG-CB 4.19Å; C985-D987 VanDerWaalsContact C-N 3.27Å; C985-D987 PolarHBondContact O-N 3.28Å; C985-K988 HydrophobicContact CB-CB 4.2Å; C985-K988 HydrophobicContact CB-CD 4.11Å; C985-K988 HydrophobicContact CB-CG 4.18Å; C985-K988 PolarHBondContact O-N 3.08Å; C985-K988 VanDerWaalsContact O-N 3.09Å; C985-R989 PolarHBondContact O-N 3.02Å
986	P	94.8	Very high	97	Very high	24 Å²	24	39.3 Å²	39.3	16%	0.156	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-57.9	-37	-175.7	-27.2	37.2	0	0	0	113.6	E884 P895 Y984 K988 R989	E884-P986 HydrophobicContact CB-CG 4.15Å; E884-P986 HydrophobicContact CG-CG 3.97Å; P895-P986 HydrophobicContact CB-CB 3.93Å; P895-P986 HydrophobicContact CG-CB 4.09Å; P895-P986 WeakPolarHBondContact CG-O 3.45Å; Y984-P986 VanDerWaalsContact O-CD 3.28Å; Y984-P986 WeakPolarHBondContact O-CD 3.41Å; P986-K988 VanDerWaalsContact C-N 3.25Å; P986-K988 PolarHBondContact O-N 3.26Å; P986-R989 WeakPolarHBondContact O-CB 3.44Å; P986-R989 PolarHBondContact O-N 2.95Å
987	D	92.6	Very high	97	Very high	139 Å²	139	40.4 Å²	40.4	74%	0.743	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-70.3	-21	-178.8	-53.4	-65.6	0	0	0	113.7	C985	C985-D987 VanDerWaalsContact C-N 3.27Å; C985-D987 PolarHBondContact O-N 3.28Å
988	K	95.4	Very high	97	Very high	123 Å²	123	41.7 Å²	41.7	54%	0.535	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-96.6	-12.8	176.8	-62.3	-178.8	-177.2	173.8	0	112.8	T983 C985 P986	T983-K988 HydrophobicContact CG2-CB 3.89Å; C985-K988 HydrophobicContact CB-CB 4.2Å; C985-K988 HydrophobicContact CB-CD 4.11Å; C985-K988 HydrophobicContact CB-CG 4.18Å; C985-K988 PolarHBondContact O-N 3.08Å; C985-K988 VanDerWaalsContact O-N 3.09Å; P986-K988 VanDerWaalsContact C-N 3.25Å; P986-K988 PolarHBondContact O-N 3.26Å
989	R	97.7	Very high	97	Very high	11 Å²	11	43.9 Å²	43.9	4%	0.042	23%	0.232	C	C	.	.	S	Bend	trans	-67.4	140	180	-161.3	176.9	-62.8	150.2	6.4	110.1	E884 P895 S980 F981 T983 Y984 C985 P986	E884-R989 IonicContact OE1-CZ 2.68Å; E884-R989 IonicContact OE1-NH1 2.94Å; E884-R989 PolarHBondContact OE1-NH1 3.19Å; E884-R989 IonicContact OE1-NH2 3.32Å; E884-R989 PolarHBondContact OE1-NH2 3.39Å; E884-R989 IonicContact OE2-CZ 2.69Å; E884-R989 IonicContact OE2-NH1 2.71Å; E884-R989 IonicContact OE2-NH2 3.2Å; E884-R989 PolarHBondContact OE2-NH2 2.78Å; P895-R989 VanDerWaalsContact C-NH1 3.26Å; P895-R989 HydrophobicContact CB-CB 4.33Å; P895-R989 WeakPolarHBondContact O-CD 3.45Å; P895-R989 PolarHBondContact O-NH1 2.68Å; S980-R989 WeakPolarHBondContact O-CG 3.04Å; F981-R989 WeakPolarHBondContact O-CD 3.39Å; F981-R989 VanDerWaalsContact O-CG 3.25Å; F981-R989 WeakPolarHBondContact O-CG 3.41Å; T983-R989 PolarHBondContact O-NE 3.49Å; T983-R989 PolarHBondContact O-NH2 3.26Å; T983-R989 VanDerWaalsContact O-NH2 3.16Å; Y984-R989 PolarHBondContact O-NH2 3.37Å; C985-R989 PolarHBondContact O-N 3.02Å; P986-R989 WeakPolarHBondContact O-CB 3.44Å; P986-R989 PolarHBondContact O-N 2.95Å
990	I	98.3	Very high	97	Very high	22 Å²	22	42.5 Å²	42.5	11%	0.113	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-63.7	143.1	-177.4	-162.4	168.9	0	0	0	111.4	L898 L977 S980 F981 K994 A995	L898-I990 WeakPolarHBondContact CG-O 3.19Å; L977-I990 HydrophobicContact CD1-CD1 4.07Å; S980-I990 WeakPolarHBondContact O-CG2 3.13Å; S980-I990 PolarHBondContact O-N 2.97Å; F981-I990 HydrophobicContact CD1-CG2 3.35Å; F981-I990 HydrophobicContact CE1-CG2 3.56Å; F981-I990 HydrophobicContact CG-CG2 4.11Å; F981-I990 HydrophobicContact CZ-CG2 4.47Å; I990-K994 HydrophobicContact CD1-CB 4.17Å; I990-K994 HydrophobicContact CG1-CB 3.66Å; I990-A995 HydrophobicContact CD1-CB 4.01Å; I990-A995 HydrophobicContact CG1-CB 4.26Å; I990-A995 HydrophobicContact CG2-CB 4.4Å
991	T	98	Very high	97	Very high	47 Å²	47	42.2 Å²	42.2	29%	0.288	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-87.1	159.5	173.2	61	0	0	0	0	110.9	E993 K994 A995	T991-E993 VanDerWaalsContact C-N 3.34Å; T991-E993 PolarHBondContact O-N 2.81Å; T991-K994 PolarHBondContact O-N 2.98Å; T991-K994 WeakPolarHBondContact OG1-CG 3.18Å; T991-K994 PolarHBondContact OG1-N 2.71Å; T991-A995 WeakPolarHBondContact O-CB 3.49Å; T991-A995 PolarHBondContact O-N 3.07Å
992	A	97.9	Very high	96.8	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.017	25%	0.248	C	C	.	.	H	α-helix	trans	-56.8	-45.1	177.5	0	0	0	0	0	112.8	L824 V827 L898 K994 A995 L996	L824-A992 HydrophobicContact CD2-CB 4.43Å; V827-A992 HydrophobicContact CB-CB 4.45Å; V827-A992 HydrophobicContact CG1-CB 4.2Å; L898-A992 HydrophobicContact CD1-CB 4.2Å; A992-K994 PolarHBondContact O-N 2.7Å; A992-A995 PolarHBondContact O-N 2.72Å; A992-L996 WeakPolarHBondContact O-CG 3.18Å; A992-L996 PolarHBondContact O-N 2.76Å
993	E	96.4	Very high	96.6	Very high	64 Å²	64	49.4 Å²	49.4	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-55.9	-45.1	175.3	-172.3	177.6	-145.9	0	0	112.4	R141 T991	R141-E993 IonicContact CZ-OE1 3.53Å; R141-E993 IonicContact NH1-OE1 3.43Å; R141-E993 PolarHBondContact NH1-OE1 2.9Å; R141-E993 IonicContact NH2-OE1 2.82Å; R141-E993 PolarHBondContact NH2-OE1 2.81Å; T991-E993 VanDerWaalsContact C-N 3.34Å; T991-E993 PolarHBondContact O-N 2.81Å
994	K	97.6	Very high	96.4	Very high	137 Å²	137	58.3 Å²	58.3	60%	0.596	29%	0.286	S	S	*	.	H	α-helix	trans	-71.1	-36.6	176.8	-73.7	-178.8	177	-174.9	0	112.8	I990 T991 A992 V997	I990-K994 HydrophobicContact CD1-CB 4.17Å; I990-K994 HydrophobicContact CG1-CB 3.66Å; T991-K994 PolarHBondContact O-N 2.98Å; T991-K994 WeakPolarHBondContact OG1-CG 3.18Å; T991-K994 PolarHBondContact OG1-N 2.71Å; A992-K994 PolarHBondContact O-N 2.7Å; K994-V997 VanDerWaalsContact O-CG2 3.3Å; K994-V997 WeakPolarHBondContact O-CG2 3.42Å; K994-V997 PolarHBondContact O-N 2.75Å
995	A	98.4	Very high	96.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.4	-39.2	177.9	0	0	0	0	0	111.7	L824 L977 F981 I990 T991 A992 V997 H998 F1001	L824-A995 HydrophobicContact CD1-CB 3.84Å; L824-A995 HydrophobicContact CD2-CB 3.89Å; L977-A995 HydrophobicContact CD1-CB 4.14Å; F981-A995 HydrophobicContact CE1-CB 3.72Å; F981-A995 HydrophobicContact CZ-CB 3.7Å; I990-A995 HydrophobicContact CD1-CB 4.01Å; I990-A995 HydrophobicContact CG1-CB 4.26Å; I990-A995 HydrophobicContact CG2-CB 4.4Å; T991-A995 WeakPolarHBondContact O-CB 3.49Å; T991-A995 PolarHBondContact O-N 3.07Å; A992-A995 PolarHBondContact O-N 2.72Å; A995-V997 PolarHBondContact O-N 2.92Å; A995-V997 VanDerWaalsContact O-N 3.15Å; A995-H998 WeakPolarHBondContact O-CB 3.32Å; A995-H998 PolarHBondContact O-N 3.41Å; A995-F1001 VanDerWaalsContact O-CE2 3.24Å; A995-F1001 WeakPolarHBondContact O-CE2 3.33Å
996	L	97.5	Very high	96.3	Very high	50 Å²	50	68.8 Å²	68.8	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-59.1	-26.1	179.2	-78.2	167.7	0	0	0	114.3	V821 L824 R825 A992	V821-L996 HydrophobicContact CG1-CD2 4.31Å; L824-L996 HydrophobicContact CB-CD2 3.54Å; L824-L996 HydrophobicContact CB-CG 3.82Å; L824-L996 HydrophobicContact CD1-CD2 4.41Å; R825-L996 HydrophobicContact CG-CD1 4.43Å; R825-L996 HydrophobicContact CG-CD2 4Å; A992-L996 WeakPolarHBondContact O-CG 3.18Å; A992-L996 PolarHBondContact O-N 2.76Å
997	V	97.3	Very high	96.3	Very high	105 Å²	105	69.1 Å²	69.1	64%	0.636	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	11.8	178.4	-61.2	0	0	0	0	113.5	K994 A995	K994-V997 VanDerWaalsContact O-CG2 3.3Å; K994-V997 WeakPolarHBondContact O-CG2 3.42Å; K994-V997 PolarHBondContact O-N 2.75Å; A995-V997 PolarHBondContact O-N 2.92Å; A995-V997 VanDerWaalsContact O-N 3.15Å
998	H	98.2	Very high	96.4	Very high	26 Å²	26	64.3 Å²	64.3	12%	0.12	31%	0.312	C	S	.	.			trans	-66.6	142.1	-177.7	-159	-95.4	0	0	0	112.9	Q973 D976 L977 A995 Y1000 F1001	Q973-H998 PolarHBondContact O-CE1 3.22Å; D976-H998 IonicContact OD2-CE1 2.75Å; D976-H998 IonicContact OD2-NE2 3.64Å; L977-H998 HydrophobicContact CD1-CB 4.08Å; L977-H998 HydrophobicContact CD2-CB 4.37Å; A995-H998 WeakPolarHBondContact O-CB 3.32Å; A995-H998 PolarHBondContact O-N 3.41Å; H998-Y1000 PolarHBondContact ND1-N 3.45Å; H998-Y1000 PolarHBondContact O-N 3.36Å; H998-F1001 HydrophobicContact CB-CD2 4.24Å; H998-F1001 HydrophobicContact CB-CE2 4.35Å; H998-F1001 PolarHBondContact O-N 3.17Å
999	S	97.5	Very high	96.2	Very high	46 Å²	46	61.5 Å²	61.5	32%	0.322	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-47.9	-34.6	177.2	50.4	0	0	0	0	114.3	Q973 F1001 N1002 E1003	Q973-S999 PolarHBondContact OE1-OG 2.89Å; S999-F1001 PolarHBondContact O-N 3.15Å; S999-F1001 VanDerWaalsContact O-N 3.14Å; S999-N1002 WeakPolarHBondContact O-CB 3.31Å; S999-N1002 PolarHBondContact O-N 3.36Å; S999-E1003 PolarHBondContact O-N 2.78Å
1000	Y	97.6	Very high	96	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-52.2	-30.8	176.2	178.9	-119.4	0	0	0	114.2	K817 L820 F905 G974 L977 H998 N1002 E1003	K817-Y1000 HydrophobicContact CD-CE1 4.22Å; K817-Y1000 WeakPolarHBondContact CE-O 3.46Å; K817-Y1000 HydrophobicContact CG-CD1 4.23Å; K817-Y1000 HydrophobicContact CG-CE1 3.55Å; K817-Y1000 PolarHBondContact NZ-O 3.31Å; L820-Y1000 HydrophobicContact CD2-CE1 4.43Å; F905-Y1000 AromaticContact CE2-CE1 3.99Å; F905-Y1000 HydrophobicContact CE2-CE1 3.99Å; F905-Y1000 HydrophobicContact CZ-CD1 4.37Å; F905-Y1000 AromaticContact CZ-CE1 3.59Å; F905-Y1000 HydrophobicContact CZ-CE1 3.59Å; F905-Y1000 AromaticContact CZ-CZ 3.75Å; G974-Y1000 VanDerWaalsContact N-CD2 3.26Å; L977-Y1000 HydrophobicContact CD2-CD1 3.63Å; L977-Y1000 HydrophobicContact CD2-CE1 4.46Å; L977-Y1000 HydrophobicContact CD2-CG 4.22Å; H998-Y1000 PolarHBondContact ND1-N 3.45Å; H998-Y1000 PolarHBondContact O-N 3.36Å; Y1000-N1002 VanDerWaalsContact C-N 3.33Å; Y1000-E1003 WeakPolarHBondContact CD2-OE1 3.38Å; Y1000-E1003 VanDerWaalsContact CE2-OE1 3.28Å; Y1000-E1003 WeakPolarHBondContact CE2-OE1 3.47Å; Y1000-E1003 WeakPolarHBondContact O-CG 3.4Å
1001	F	97.2	Very high	95.5	Very high	22 Å²	22	65.5 Å²	65.5	10%	0.096	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-80.8	-14.9	178.9	-62.5	-65.3	0	0	0	113.4	K817 L820 V821 L824 L977 A995 H998 S999	K817-F1001 HydrophobicContact CB-CD1 4.21Å; K817-F1001 HydrophobicContact CB-CE1 4.33Å; K817-F1001 HydrophobicContact CG-CD1 4.18Å; K817-F1001 HydrophobicContact CG-CE1 4.3Å; L820-F1001 HydrophobicContact CB-CE1 4.38Å; L820-F1001 HydrophobicContact CB-CZ 4.45Å; L820-F1001 HydrophobicContact CD2-CE1 4.14Å; L820-F1001 HydrophobicContact CD2-CZ 3.72Å; L820-F1001 HydrophobicContact CG-CE1 4.35Å; L820-F1001 HydrophobicContact CG-CZ 3.94Å; V821-F1001 HydrophobicContact CG2-CD1 3.5Å; V821-F1001 VanDerWaalsContact CG2-CD1 3.5Å; V821-F1001 HydrophobicContact CG2-CE1 3.49Å; V821-F1001 VanDerWaalsContact CG2-CE1 3.49Å; V821-F1001 HydrophobicContact CG2-CG 4.07Å; V821-F1001 HydrophobicContact CG2-CZ 4.05Å; L824-F1001 HydrophobicContact CD1-CE2 4.18Å; L824-F1001 HydrophobicContact CD1-CZ 4.01Å; L977-F1001 HydrophobicContact CD2-CE2 3.86Å; L977-F1001 HydrophobicContact CD2-CZ 3.93Å; A995-F1001 VanDerWaalsContact O-CE2 3.24Å; A995-F1001 WeakPolarHBondContact O-CE2 3.33Å; H998-F1001 HydrophobicContact CB-CD2 4.24Å; H998-F1001 HydrophobicContact CB-CE2 4.35Å; H998-F1001 PolarHBondContact O-N 3.17Å; S999-F1001 PolarHBondContact O-N 3.15Å; S999-F1001 VanDerWaalsContact O-N 3.14Å
1002	N	94.9	Very high	95.1	Very high	110 Å²	110	69 Å²	69	59%	0.588	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-30	-177.9	-64.9	-32	0	0	0	113.7	S999 Y1000 R1006	S999-N1002 WeakPolarHBondContact O-CB 3.31Å; S999-N1002 PolarHBondContact O-N 3.36Å; Y1000-N1002 VanDerWaalsContact C-N 3.33Å; N1002-R1006 PolarHBondContact O-NE 2.88Å
1003	E	94	Very high	94.5	Very high	47 Å²	47	69.7 Å²	69.7	22%	0.22	35%	0.349	C	S	.	.	S	Bend	trans	-64.6	162.4	177	77	-178.9	-169.4	0	0	112.4	K817 S971 Q973 S999 Y1000 P1005 R1006	K817-E1003 IonicContact NZ-OE1 2.71Å; K817-E1003 PolarHBondContact NZ-OE1 3.44Å; S971-E1003 WeakPolarHBondContact CB-OE1 3.33Å; S971-E1003 WeakPolarHBondContact CB-OE2 3.3Å; S971-E1003 PolarHBondContact OG-OE1 3.47Å; S971-E1003 PolarHBondContact OG-OE2 3.3Å; Q973-E1003 WeakPolarHBondContact CB-OE2 3.35Å; S999-E1003 PolarHBondContact O-N 2.78Å; Y1000-E1003 WeakPolarHBondContact CD2-OE1 3.38Å; Y1000-E1003 VanDerWaalsContact CE2-OE1 3.28Å; Y1000-E1003 WeakPolarHBondContact CE2-OE1 3.47Å; Y1000-E1003 WeakPolarHBondContact O-CG 3.4Å; E1003-P1005 CarbonylContact O-C 3.46Å; E1003-P1005 VanDerWaalsContact O-C 3.3Å; E1003-R1006 PolarHBondContact O-N 3.05Å
1004	R	92.9	Very high	93.7	Very high	230 Å²	230	69.2 Å²	69.2	87%	0.868	35%	0.351	S	S	*	.	S	Bend	trans	-87.2	144	172.3	-66.5	-176.3	178.6	-171.2	-0.6	111.2
1005	P	94	Very high	92.6	Very high	72 Å²	72	67 Å²	67	47%	0.468	35%	0.353	S	S	.	.	S	Bend	cis	-68.2	142.6	-10.3	30.8	-34.6	0	0	0	110.5	V813 K817 E1003	V813-P1005 HydrophobicContact CB-CG 3.75Å; V813-P1005 HydrophobicContact CG1-CG 3.84Å; K817-P1005 VanDerWaalsContact CD-O 3.31Å; K817-P1005 WeakPolarHBondContact CD-O 3.34Å; K817-P1005 WeakPolarHBondContact CE-O 3.35Å; K817-P1005 PolarHBondContact NZ-O 3.11Å; E1003-P1005 CarbonylContact O-C 3.46Å; E1003-P1005 VanDerWaalsContact O-C 3.3Å
1006	R	94.1	Very high	91.7	Very high	168 Å²	168	69.1 Å²	69.1	63%	0.634	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-75.6	168.3	173.9	-72.4	-176.8	173.2	175.7	-3	110.1	G814 N1002 E1003 I1008	G814-R1006 WeakPolarHBondContact CA-O 3.4Å; N1002-R1006 PolarHBondContact O-NE 2.88Å; E1003-R1006 PolarHBondContact O-N 3.05Å; R1006-I1008 PolarHBondContact O-N 3.41Å
1007	A	95.1	Very high	90.8	Very high	30 Å²	30	72 Å²	72	25%	0.248	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-54.3	132.9	167.9	0	0	0	0	0	110.3	G814 K817 C818	G814-A1007 WeakPolarHBondContact O-CA 3.33Å; K817-A1007 HydrophobicContact CB-CB 3.86Å; C818-A1007 HydrophobicContact CB-CB 4.27Å
1008	I	94.1	Very high	89.8	Confident	38 Å²	38	67.3 Å²	67.3	20%	0.195	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-71.7	152.6	171.2	64.5	161.5	0	0	0	110.4	G814 E815 C818 R1006 M1012 F1013	G814-I1008 PolarHBondContact O-N 2.86Å; G814-I1008 VanDerWaalsContact O-N 3.08Å; E815-I1008 HydrophobicContact CB-CD1 4.48Å; E815-I1008 HydrophobicContact CG-CD1 3.5Å; E815-I1008 HydrophobicContact CG-CG1 4.19Å; C818-I1008 HydrophobicContact CB-CG1 4.05Å; C818-I1008 WeakPolarHBondContact CB-O 3.39Å; C818-I1008 PolarHBondContact SG-O 2.93Å; R1006-I1008 PolarHBondContact O-N 3.41Å; I1008-M1012 HydrophobicContact CB-CE 4.12Å; I1008-M1012 HydrophobicContact CD1-CB 4.34Å; I1008-F1013 HydrophobicContact CD1-CD2 3.68Å; I1008-F1013 HydrophobicContact CD1-CE2 3.97Å; I1008-F1013 HydrophobicContact CD1-CG 4.29Å; I1008-F1013 HydrophobicContact CG1-CD2 4.25Å; I1008-F1013 HydrophobicContact CG1-CE2 4.25Å
1009	H	92.7	Very high	88.7	Confident	64 Å²	64	70.9 Å²	70.9	30%	0.296	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-65.1	140.3	168.9	-169.8	-106.3	0	0	0	109.8	Y638 S1011 M1012	Y638-H1009 AromaticContact CD2-CD2 3.8Å; Y638-H1009 HydrophobicContact CE1-CB 4.2Å; Y638-H1009 AromaticContact CE1-CD2 4Å; Y638-H1009 AromaticContact CE2-CD2 3.56Å; Y638-H1009 AromaticContact CZ-CD2 3.66Å; H1009-S1011 PolarHBondContact ND1-N 3.3Å; H1009-S1011 PolarHBondContact ND1-OG 3.48Å; H1009-S1011 PolarHBondContact O-N 2.77Å; H1009-S1011 VanDerWaalsContact O-N 3.17Å; H1009-M1012 HydrophobicContact CB-CE 3.85Å; H1009-M1012 HydrophobicContact CB-CG 4.42Å; H1009-M1012 WeakPolarHBondContact O-CB 3.22Å; H1009-M1012 PolarHBondContact O-N 3.11Å
1010	P	92.3	Very high	87.6	Confident	29 Å²	29	69.6 Å²	69.6	19%	0.188	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-52.6	-37.9	-179.3	-30.2	36.9	0	0	0	114.1	Q850 I852 M1012 F1013	Q850-P1010 CarbonylContact C-O 3.58Å; Q850-P1010 CarbonylContact O-C 3.56Å; Q850-P1010 WeakPolarHBondContact O-CB 3.48Å; Q850-P1010 VanDerWaalsContact O-O 3.09Å; I852-P1010 HydrophobicContact CD1-CB 3.83Å; I852-P1010 HydrophobicContact CD1-CG 4.2Å; P1010-M1012 PolarHBondContact O-N 3.45Å; P1010-F1013 WeakPolarHBondContact O-CB 3.43Å; P1010-F1013 PolarHBondContact O-N 2.98Å
1011	S	88.7	Confident	86.6	Confident	89 Å²	89	73.5 Å²	73.5	62%	0.622	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-66.6	-8.3	177.6	73.8	0	0	0	0	115.2	H1009	H1009-S1011 PolarHBondContact ND1-N 3.3Å; H1009-S1011 PolarHBondContact ND1-OG 3.48Å; H1009-S1011 PolarHBondContact O-N 2.77Å; H1009-S1011 VanDerWaalsContact O-N 3.17Å
1012	M	89	Confident	84.8	Confident	121 Å²	121	75.2 Å²	75.2	60%	0.596	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-96.7	2.1	174.1	-62	-166.3	-69.6	0	0	112.8	I1008 H1009 P1010	I1008-M1012 HydrophobicContact CB-CE 4.12Å; I1008-M1012 HydrophobicContact CD1-CB 4.34Å; H1009-M1012 HydrophobicContact CB-CE 3.85Å; H1009-M1012 HydrophobicContact CB-CG 4.42Å; H1009-M1012 WeakPolarHBondContact O-CB 3.22Å; H1009-M1012 PolarHBondContact O-N 3.11Å; P1010-M1012 PolarHBondContact O-N 3.45Å
1013	F	86.1	Confident	82.5	Confident	15 Å²	15	72.8 Å²	72.8	7%	0.066	40%	0.404	C	S	.	.	S	Bend	trans	-63.3	142.8	171.2	-112	-90.8	0	0	0	110.6	F811 E815 C818 L819 L847 I1008 P1010 W1016	F811-F1013 HydrophobicContact CD1-CE1 4.05Å; F811-F1013 HydrophobicContact CD1-CZ 4.44Å; F811-F1013 AromaticContact CE1-CE1 3.86Å; F811-F1013 HydrophobicContact CE1-CE1 3.86Å; E815-F1013 HydrophobicContact CB-CE1 4.15Å; E815-F1013 HydrophobicContact CB-CE2 4.08Å; E815-F1013 HydrophobicContact CB-CZ 3.55Å; E815-F1013 HydrophobicContact CG-CE1 3.99Å; E815-F1013 HydrophobicContact CG-CE2 4.05Å; E815-F1013 HydrophobicContact CG-CZ 3.71Å; C818-F1013 HydrophobicContact CB-CE2 4.13Å; L819-F1013 HydrophobicContact CD1-CE1 4.44Å; L819-F1013 HydrophobicContact CD1-CZ 3.85Å; L819-F1013 HydrophobicContact CD2-CE1 4.38Å; L819-F1013 HydrophobicContact CD2-CE2 4.16Å; L819-F1013 HydrophobicContact CD2-CZ 3.71Å; L819-F1013 HydrophobicContact CG-CE2 4.19Å; L819-F1013 HydrophobicContact CG-CZ 3.62Å; L847-F1013 HydrophobicContact CD2-CD1 4.2Å; L847-F1013 HydrophobicContact CD2-CE1 4.16Å; I1008-F1013 HydrophobicContact CD1-CD2 3.68Å; I1008-F1013 HydrophobicContact CD1-CE2 3.97Å; I1008-F1013 HydrophobicContact CD1-CG 4.29Å; I1008-F1013 HydrophobicContact CG1-CD2 4.25Å; I1008-F1013 HydrophobicContact CG1-CE2 4.25Å; P1010-F1013 WeakPolarHBondContact O-CB 3.43Å; P1010-F1013 PolarHBondContact O-N 2.98Å; F1013-W1016 AromaticContact CD1-CH2 3.94Å; F1013-W1016 HydrophobicContact CD1-CH2 3.94Å; F1013-W1016 AromaticContact CD1-CZ3 3.87Å; F1013-W1016 HydrophobicContact CD1-CZ3 3.87Å; F1013-W1016 HydrophobicContact CE1-CH2 4.19Å; F1013-W1016 HydrophobicContact CE1-CZ3 4.36Å
1014	P	78.3	Confident	79.9	Confident	55 Å²	55	76.2 Å²	76.2	36%	0.357	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-59.4	149.1	165.8	-16.8	28.8	0	0	0	110.5	E815 W1016	E815-P1014 WeakPolarHBondContact OE1-CD 3.18Å; E815-P1014 WeakPolarHBondContact OE1-CG 3.39Å; P1014-W1016 HydrophobicContact CB-CD2 4.46Å; P1014-W1016 HydrophobicContact CB-CE3 4.48Å; P1014-W1016 HydrophobicContact CB-CH2 3.71Å; P1014-W1016 HydrophobicContact CB-CZ2 3.66Å; P1014-W1016 HydrophobicContact CB-CZ3 4.14Å; P1014-W1016 HydrophobicContact CG-CH2 3.74Å; P1014-W1016 HydrophobicContact CG-CZ2 3.82Å; P1014-W1016 VanDerWaalsContact O-CE3 3.22Å; P1014-W1016 WeakPolarHBondContact O-CZ3 3.49Å
1015	S	75.2	Confident	77.1	Confident	89 Å²	89	69.5 Å²	69.5	62%	0.622	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-96.3	143	164.8	55	0	0	0	0	110
1016	W	79.3	Confident	74.3	Confident	46 Å²	46	70.9 Å²	70.9	17%	0.174	43%	0.428	C	S	.	.			trans	-121	154.3	176.1	-67.4	-88.4	0	0	0	109.7	H798 L803 M807 F811 L847 H849 F1013 P1014 A1018	H798-W1016 PolarHBondContact CE1-O 2.78Å; H798-W1016 PolarHBondContact NE2-O 2.79Å; L803-W1016 HydrophobicContact CD1-CB 3.81Å; L803-W1016 HydrophobicContact CD1-CD2 3.63Å; L803-W1016 HydrophobicContact CD1-CE3 3.83Å; L803-W1016 HydrophobicContact CD1-CG 3.61Å; L803-W1016 HydrophobicContact CD2-CD2 4.45Å; L803-W1016 HydrophobicContact CD2-CE3 3.87Å; L803-W1016 HydrophobicContact CD2-CZ3 3.95Å; L803-W1016 HydrophobicContact CG-CE3 4.4Å; M807-W1016 HydrophobicContact CE-CH2 4.36Å; M807-W1016 HydrophobicContact CE-CZ2 3.86Å; M807-W1016 HydrophobicContact CG-CZ2 4.11Å; M807-W1016 HydrophobicContact SD-CH2 4.42Å; M807-W1016 HydrophobicContact SD-CZ2 4Å; F811-W1016 HydrophobicContact CE1-CH2 4.15Å; L847-W1016 HydrophobicContact CD2-CZ3 4.22Å; H849-W1016 PolarHBondContact NE2-O 3.42Å; H849-W1016 VanDerWaalsContact NE2-O 3.17Å; F1013-W1016 AromaticContact CD1-CH2 3.94Å; F1013-W1016 HydrophobicContact CD1-CH2 3.94Å; F1013-W1016 AromaticContact CD1-CZ3 3.87Å; F1013-W1016 HydrophobicContact CD1-CZ3 3.87Å; F1013-W1016 HydrophobicContact CE1-CH2 4.19Å; F1013-W1016 HydrophobicContact CE1-CZ3 4.36Å; P1014-W1016 HydrophobicContact CB-CD2 4.46Å; P1014-W1016 HydrophobicContact CB-CE3 4.48Å; P1014-W1016 HydrophobicContact CB-CH2 3.71Å; P1014-W1016 HydrophobicContact CB-CZ2 3.66Å; P1014-W1016 HydrophobicContact CB-CZ3 4.14Å; P1014-W1016 HydrophobicContact CG-CH2 3.74Å; P1014-W1016 HydrophobicContact CG-CZ2 3.82Å; P1014-W1016 VanDerWaalsContact O-CE3 3.22Å; P1014-W1016 WeakPolarHBondContact O-CZ3 3.49Å; W1016-A1018 PolarHBondContact O-N 3.25Å
1017	P	77.6	Confident	71.4	Confident	109 Å²	109	72.6 Å²	72.6	71%	0.708	44%	0.44	S	S	*	.			trans	-68.3	120.5	174.8	27.5	-33.7	0	0	0	110.6	K1019	P1017-K1019 PolarHBondContact O-N 2.88Å
1018	A	76.1	Confident	68.4	Low	7 Å²	7	80.1 Å²	80.1	6%	0.058	46%	0.462	C	S	.	.			trans	-63.8	124.4	-179.7	0	0	0	0	0	112.5	E797 W1016 S1020 E1021	E797-A1018 HydrophobicContact CB-CB 3.91Å; E797-A1018 WeakPolarHBondContact O-CB 3.37Å; W1016-A1018 PolarHBondContact O-N 3.25Å; A1018-S1020 PolarHBondContact O-N 2.84Å; A1018-E1021 HydrophobicContact CB-CB 4.03Å; A1018-E1021 HydrophobicContact CB-CG 3.63Å; A1018-E1021 PolarHBondContact O-N 2.76Å
1019	K	76.4	Confident	65.6	Low	101 Å²	101	82.4 Å²	82.4	44%	0.439	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-56.1	-38	-179.3	-69.7	-174	-178.1	177.5	0	111.8	S802 P1017 E1021	S802-K1019 WeakPolarHBondContact O-CE 3.35Å; S802-K1019 PolarHBondContact O-NZ 2.82Å; S802-K1019 PolarHBondContact OG-NZ 3.24Å; P1017-K1019 PolarHBondContact O-N 2.88Å; K1019-E1021 VanDerWaalsContact C-N 3.31Å; K1019-E1021 PolarHBondContact O-N 3.17Å
1020	S	74.4	Confident	62.8	Low	19 Å²	19	84.3 Å²	84.3	13%	0.133	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-71.3	-14.8	178.2	39.3	0	0	0	0	114.8	N719 Y795 A1018	N719-S1020 PolarHBondContact ND2-O 3.41Å; N719-S1020 PolarHBondContact OD1-O 2.97Å; Y795-S1020 WeakPolarHBondContact OH-CB 3.46Å; Y795-S1020 PolarHBondContact OH-OG 3.43Å; A1018-S1020 PolarHBondContact O-N 2.84Å
1021	E	75.8	Confident	60.4	Low	83 Å²	83	88.2 Å²	88.2	39%	0.388	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-97.9	-13.8	-179.2	-61.3	-164.2	149.3	0	0	113.8	R731 Y795 A1018 K1019 G1023	R731-E1021 IonicContact CZ-OE1 3.19Å; R731-E1021 IonicContact NE-OE1 2.69Å; R731-E1021 IonicContact NH2-OE1 2.86Å; R731-E1021 PolarHBondContact NH2-OE1 3.01Å; Y795-E1021 WeakPolarHBondContact OH-CG 3.26Å; A1018-E1021 HydrophobicContact CB-CB 4.03Å; A1018-E1021 HydrophobicContact CB-CG 3.63Å; A1018-E1021 PolarHBondContact O-N 2.76Å; K1019-E1021 VanDerWaalsContact C-N 3.31Å; K1019-E1021 PolarHBondContact O-N 3.17Å; E1021-G1023 PolarHBondContact O-N 3.39Å
1022	G	60.8	Low	58.3	Low	58 Å²	58	95.2 Å²	95.2	60%	0.598	55%	0.546	S	S	*	.			trans	-66	26	173.4	0	0	0	0	0	115.2	V1024	G1022-V1024 CarbonylContact O-C 3.33Å; G1022-V1024 PolarHBondContact O-N 2.72Å; G1022-V1024 VanDerWaalsContact O-N 3.11Å
1023	G	46.5	Very low	55.9	Low	59 Å²	59	93.3 Å²	93.3	61%	0.608	55%	0.549	S	S	*	.			trans	-65.2	-10.2	-171.7	0	0	0	0	0	115.7	E1021 A1025	E1021-G1023 PolarHBondContact O-N 3.39Å; G1023-A1025 VanDerWaalsContact C-N 3.26Å; G1023-A1025 PolarHBondContact O-N 2.81Å
1024	V	38.4	Very low	53.5	Low	119 Å²	119	97.4 Å²	97.4	72%	0.721	58%	0.577	S	S	*	*			trans	-74	92.3	156.9	-174.3	0	0	0	0	107.1	G1022 V1026	G1022-V1024 CarbonylContact O-C 3.33Å; G1022-V1024 PolarHBondContact O-N 2.72Å; G1022-V1024 VanDerWaalsContact O-N 3.11Å; V1024-V1026 HydrophobicContact CG1-CG2 4.14Å; V1024-V1026 PolarHBondContact O-N 2.98Å
1025	A	34	Very low	51.8	Low	89 Å²	89	99.8 Å²	99.8	74%	0.736	60%	0.601	S	S	*	*			trans	-58	85.9	154.3	0	0	0	0	0	107.4	G1023 K1027	G1023-A1025 VanDerWaalsContact C-N 3.26Å; G1023-A1025 PolarHBondContact O-N 2.81Å; A1025-K1027 PolarHBondContact O-N 2.88Å
1026	V	34.6	Very low	49.8	Very low	100 Å²	100	97.3 Å²	97.3	61%	0.606	59%	0.589	S	S	*	*			trans	-54.6	114.8	168.6	-173.8	0	0	0	0	103.5	V1024 R1028	V1024-V1026 HydrophobicContact CG1-CG2 4.14Å; V1024-V1026 PolarHBondContact O-N 2.98Å; V1026-R1028 HydrophobicContact CB-CG 4.3Å; V1026-R1028 HydrophobicContact CG1-CG 3.83Å; V1026-R1028 PolarHBondContact O-N 3.41Å
1027	K	33.1	Very low	47.7	Very low	204 Å²	204	97.9 Å²	97.9	89%	0.887	61%	0.61	S	S	*	*			trans	-67.5	62.8	161.5	-71.8	-179.6	179.8	172.3	0	107.7	A1025 A1029	A1025-K1027 PolarHBondContact O-N 2.88Å; K1027-A1029 PolarHBondContact O-N 2.85Å
1028	R	33.6	Very low	46	Very low	189 Å²	189	95 Å²	95	71%	0.713	60%	0.599	S	S	*	*			trans	-53	100.9	142.9	-72.5	-173.5	173.5	178	-1.1	101.7	V1026 S1030	V1026-R1028 HydrophobicContact CB-CG 4.3Å; V1026-R1028 HydrophobicContact CG1-CG 3.83Å; V1026-R1028 PolarHBondContact O-N 3.41Å; R1028-S1030 VanDerWaalsContact C-N 3.31Å; R1028-S1030 PolarHBondContact O-N 2.72Å
1029	A	35.5	Very low	44.6	Very low	85 Å²	85	97.5 Å²	97.5	70%	0.702	62%	0.62	S	S	*	*			trans	-52.9	107.9	176.3	0	0	0	0	0	104.7	K1027 P1031	K1027-A1029 PolarHBondContact O-N 2.85Å; A1029-P1031 WeakPolarHBondContact O-CA 3.48Å
1030	S	32.6	Very low	43.2	Very low	105 Å²	105	99.6 Å²	99.6	73%	0.734	64%	0.636	S	S	*	*			trans	-51.4	114.2	-179.1	-176	0	0	0	0	104.8	R1028 R1032	R1028-S1030 VanDerWaalsContact C-N 3.31Å; R1028-S1030 PolarHBondContact O-N 2.72Å; S1030-R1032 WeakPolarHBondContact O-CA 3.38Å; S1030-R1032 PolarHBondContact O-N 3.02Å
1031	P	41.5	Very low	42	Very low	110 Å²	110	101.7 Å²	101.7	71%	0.714	65%	0.654	S	S	*	*			trans	-53.8	113.6	-156.3	16.9	-31.2	0	0	0	106.8	A1029 A1033	A1029-P1031 WeakPolarHBondContact O-CA 3.48Å; P1031-A1033 WeakPolarHBondContact O-CA 3.41Å; P1031-A1033 PolarHBondContact O-N 3.05Å
1032	R	45.3	Very low	41.2	Very low	237 Å²	237	100.3 Å²	100.3	89%	0.894	66%	0.657	S	S	*	*			trans	-38.3	110.1	-158.9	171	-174.6	173.7	-172	-0.9	107.5	S1030	S1030-R1032 WeakPolarHBondContact O-CA 3.38Å; S1030-R1032 PolarHBondContact O-N 3.02Å
1033	A	37.8	Very low	41.1	Very low	81 Å²	81	100 Å²	100	67%	0.669	65%	0.649	S	S	*	*			trans	-39.4	119.1	-166.2	0	0	0	0	0	108	P1031 A1035	P1031-A1033 WeakPolarHBondContact O-CA 3.41Å; P1031-A1033 PolarHBondContact O-N 3.05Å; A1033-A1035 PolarHBondContact O-N 2.85Å
1034	P	35.8	Very low	41.6	Very low	101 Å²	101	100.2 Å²	100.2	66%	0.656	65%	0.645	S	S	*	*			trans	-48	144.9	-167.1	-29.9	33.4	0	0	0	109.3	G1036 G1037	P1034-G1036 CarbonylContact O-C 3.57Å; P1034-G1036 WeakPolarHBondContact O-CA 3.38Å; P1034-G1036 PolarHBondContact O-N 2.68Å; P1034-G1037 PolarHBondContact O-N 3.07Å
1035	A	42.6	Very low	42.8	Very low	105 Å²	105	97.3 Å²	97.3	87%	0.868	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	-17.9	178	0	0	0	0	0	112.4	A1033 G1037 G1038	A1033-A1035 PolarHBondContact O-N 2.85Å; A1035-G1037 PolarHBondContact O-N 2.71Å; A1035-G1038 PolarHBondContact O-N 2.86Å; A1035-G1038 VanDerWaalsContact O-N 3.1Å
1036	G	35	Very low	44.5	Very low	36 Å²	36	95.9 Å²	95.9	37%	0.371	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56	6.8	159.5	0	0	0	0	0	118.7	P1034 G1038 A1039 L1040	P1034-G1036 CarbonylContact O-C 3.57Å; P1034-G1036 WeakPolarHBondContact O-CA 3.38Å; P1034-G1036 PolarHBondContact O-N 2.68Å; G1036-G1038 PolarHBondContact O-N 2.73Å; G1036-A1039 VanDerWaalsContact C-N 3.26Å; G1036-A1039 VanDerWaalsContact CA-CB 3.5Å; G1036-A1039 WeakPolarHBondContact O-CA 3.14Å; G1036-A1039 WeakPolarHBondContact O-CB 3.42Å; G1036-A1039 PolarHBondContact O-N 2.86Å; G1036-L1040 PolarHBondContact O-N 2.7Å; G1036-L1040 VanDerWaalsContact O-N 3.1Å
1037	G	33.7	Very low	46.1	Very low	59 Å²	59	96.1 Å²	96.1	61%	0.608	62%	0.623	S	S	*	*	H	α-helix	trans	-56.2	-30.1	154	0	0	0	0	0	111.5	P1034 A1035	P1034-G1037 PolarHBondContact O-N 3.07Å; A1035-G1037 PolarHBondContact O-N 2.71Å
1038	G	42.3	Very low	47.7	Very low	47 Å²	47	89.2 Å²	89.2	49%	0.485	60%	0.604	S	S	.	*	H	α-helix	trans	-73.6	-26.8	164.6	0	0	0	0	0	114.2	A1035 G1036 A1042	A1035-G1038 PolarHBondContact O-N 2.86Å; A1035-G1038 VanDerWaalsContact O-N 3.1Å; G1036-G1038 PolarHBondContact O-N 2.73Å; G1038-A1042 WeakPolarHBondContact O-CB 3.43Å; G1038-A1042 PolarHBondContact O-N 3.3Å
1039	A	47.3	Very low	49.5	Very low	60 Å²	60	83 Å²	83	50%	0.496	59%	0.593	S	S	.	*	H	α-helix	trans	-75.5	-38.3	-177.4	0	0	0	0	0	113	G1036 A1042 A1043	G1036-A1039 VanDerWaalsContact C-N 3.26Å; G1036-A1039 VanDerWaalsContact CA-CB 3.5Å; G1036-A1039 WeakPolarHBondContact O-CA 3.14Å; G1036-A1039 WeakPolarHBondContact O-CB 3.42Å; G1036-A1039 PolarHBondContact O-N 2.86Å; A1039-A1042 PolarHBondContact O-N 3.06Å; A1039-A1043 VanDerWaalsContact O-CB 3.3Å; A1039-A1043 WeakPolarHBondContact O-CB 3.48Å; A1039-A1043 PolarHBondContact O-N 3.42Å
1040	L	47	Very low	51.3	Low	146 Å²	146	82 Å²	82	76%	0.764	58%	0.584	S	S	*	*	H	α-helix	trans	-73.5	-34.6	176.1	-146.8	121.6	0	0	0	111.6	G1036 A1044	G1036-L1040 PolarHBondContact O-N 2.7Å; G1036-L1040 VanDerWaalsContact O-N 3.1Å; L1040-A1044 WeakPolarHBondContact O-CB 3.35Å; L1040-A1044 PolarHBondContact O-N 3.11Å
1041	A	49.3	Very low	52.9	Low	62 Å²	62	79.8 Å²	79.8	51%	0.512	57%	0.573	S	S	.	*	H	α-helix	trans	-67.6	-39.3	169.9	0	0	0	0	0	112.2	A1044 A1045	A1041-A1044 PolarHBondContact O-N 3.21Å; A1041-A1045 VanDerWaalsContact O-CB 3.24Å; A1041-A1045 WeakPolarHBondContact O-CB 3.41Å; A1041-A1045 PolarHBondContact O-N 3.04Å
1042	A	58.6	Low	54.2	Low	55 Å²	55	77.1 Å²	77.1	46%	0.455	56%	0.56	S	S	.	*	H	α-helix	trans	-68.3	-36.8	174.1	0	0	0	0	0	112	G1038 A1039 A1045 A1046	G1038-A1042 WeakPolarHBondContact O-CB 3.43Å; G1038-A1042 PolarHBondContact O-N 3.3Å; A1039-A1042 PolarHBondContact O-N 3.06Å; A1042-A1045 PolarHBondContact O-N 2.82Å; A1042-A1046 WeakPolarHBondContact O-CB 3.4Å; A1042-A1046 PolarHBondContact O-N 2.87Å
1043	A	58.6	Low	55.4	Low	52 Å²	52	68.7 Å²	68.7	43%	0.43	54%	0.541	S	S	.	.	H	α-helix	trans	-64.9	-46.1	173.3	0	0	0	0	0	111.2	A1039 A1045 A1046 V1047	A1039-A1043 VanDerWaalsContact O-CB 3.3Å; A1039-A1043 WeakPolarHBondContact O-CB 3.48Å; A1039-A1043 PolarHBondContact O-N 3.42Å; A1043-A1045 PolarHBondContact O-N 2.82Å; A1043-A1046 PolarHBondContact O-N 2.79Å; A1043-V1047 WeakPolarHBondContact O-CG2 3.15Å; A1043-V1047 PolarHBondContact O-N 2.87Å
1044	A	56.5	Low	56.8	Low	62 Å²	62	67.1 Å²	67.1	51%	0.512	53%	0.528	S	S	.	.	H	α-helix	trans	-62.1	-41.5	174.3	0	0	0	0	0	112.2	L1040 A1041 A1048	L1040-A1044 WeakPolarHBondContact O-CB 3.35Å; L1040-A1044 PolarHBondContact O-N 3.11Å; A1041-A1044 PolarHBondContact O-N 3.21Å; A1044-A1048 VanDerWaalsContact O-CB 3.31Å; A1044-A1048 WeakPolarHBondContact O-CB 3.16Å; A1044-A1048 PolarHBondContact O-N 2.91Å
1045	A	65	Low	58.2	Low	59 Å²	59	65.4 Å²	65.4	49%	0.488	52%	0.522	S	S	.	.	H	α-helix	trans	-67.4	-36.4	175.3	0	0	0	0	0	112.6	A1041 A1042 A1043 A1048 A1049	A1041-A1045 VanDerWaalsContact O-CB 3.24Å; A1041-A1045 WeakPolarHBondContact O-CB 3.41Å; A1041-A1045 PolarHBondContact O-N 3.04Å; A1042-A1045 PolarHBondContact O-N 2.82Å; A1043-A1045 PolarHBondContact O-N 2.82Å; A1045-A1048 PolarHBondContact O-N 2.7Å; A1045-A1049 WeakPolarHBondContact O-CB 3.3Å; A1045-A1049 PolarHBondContact O-N 2.99Å
1046	A	69.8	Low	59.2	Low	58 Å²	58	64.1 Å²	64.1	48%	0.479	51%	0.507	S	S	.	.	H	α-helix	trans	-70.2	-39.6	176	0	0	0	0	0	111.7	A1042 A1043 A1049 A1050	A1042-A1046 WeakPolarHBondContact O-CB 3.4Å; A1042-A1046 PolarHBondContact O-N 2.87Å; A1043-A1046 PolarHBondContact O-N 2.79Å; A1046-A1049 PolarHBondContact O-N 2.7Å; A1046-A1050 VanDerWaalsContact O-CB 3.23Å; A1046-A1050 WeakPolarHBondContact O-CB 3.36Å; A1046-A1050 PolarHBondContact O-N 2.79Å
1047	V	67.5	Low	60.3	Low	105 Å²	105	65.8 Å²	65.8	64%	0.636	51%	0.513	S	S	*	.	H	α-helix	trans	-65.8	-42.6	172.6	172.1	0	0	0	0	110.7	A1043 A1050 A1051	A1043-V1047 WeakPolarHBondContact O-CG2 3.15Å; A1043-V1047 PolarHBondContact O-N 2.87Å; V1047-A1050 PolarHBondContact O-N 3.17Å; V1047-A1051 WeakPolarHBondContact O-CB 3.05Å; V1047-A1051 PolarHBondContact O-N 3.41Å
1048	A	67.2	Low	61.1	Low	60 Å²	60	69.9 Å²	69.9	50%	0.496	52%	0.52	S	S	.	.	H	α-helix	trans	-65.1	-38.8	174.6	0	0	0	0	0	112.5	A1044 A1045 A1052	A1044-A1048 VanDerWaalsContact O-CB 3.31Å; A1044-A1048 WeakPolarHBondContact O-CB 3.16Å; A1044-A1048 PolarHBondContact O-N 2.91Å; A1045-A1048 PolarHBondContact O-N 2.7Å; A1048-A1052 VanDerWaalsContact O-CB 3.3Å; A1048-A1052 WeakPolarHBondContact O-CB 3.43Å; A1048-A1052 PolarHBondContact O-N 2.85Å
1049	A	71.6	Confident	61.5	Low	59 Å²	59	71.4 Å²	71.4	49%	0.488	53%	0.528	S	S	.	.	H	α-helix	trans	-69.4	-38.3	175.3	0	0	0	0	0	112	A1045 A1046 A1052 A1053	A1045-A1049 WeakPolarHBondContact O-CB 3.3Å; A1045-A1049 PolarHBondContact O-N 2.99Å; A1046-A1049 PolarHBondContact O-N 2.7Å; A1049-A1052 PolarHBondContact O-N 3.19Å; A1049-A1053 WeakPolarHBondContact O-CB 3.47Å; A1049-A1053 PolarHBondContact O-N 3.21Å
1050	A	72	Confident	61.5	Low	62 Å²	62	73.8 Å²	73.8	51%	0.512	54%	0.537	S	S	.	.	H	α-helix	trans	-66.5	-41.3	173.8	0	0	0	0	0	111.5	A1046 V1047 A1053 A1054	A1046-A1050 VanDerWaalsContact O-CB 3.23Å; A1046-A1050 WeakPolarHBondContact O-CB 3.36Å; A1046-A1050 PolarHBondContact O-N 2.79Å; V1047-A1050 PolarHBondContact O-N 3.17Å; A1050-A1053 PolarHBondContact O-N 3.34Å; A1050-A1054 WeakPolarHBondContact O-CB 3.4Å; A1050-A1054 PolarHBondContact O-N 3.42Å
1051	A	65.6	Low	61.2	Low	60 Å²	60	72.8 Å²	72.8	50%	0.496	54%	0.537	S	S	.	.	H	α-helix	trans	-63.6	-41.8	172.6	0	0	0	0	0	112.1	V1047 A1054 A1055	V1047-A1051 WeakPolarHBondContact O-CB 3.05Å; V1047-A1051 PolarHBondContact O-N 3.41Å; A1051-A1054 PolarHBondContact O-N 3.43Å; A1051-A1055 WeakPolarHBondContact O-CB 3.41Å; A1051-A1055 PolarHBondContact O-N 3.44Å
1052	A	69	Low	60.6	Low	54 Å²	54	75.5 Å²	75.5	45%	0.446	55%	0.552	S	S	.	*	H	α-helix	trans	-68.2	-35.5	175	0	0	0	0	0	112.7	A1048 A1049 S1056	A1048-A1052 VanDerWaalsContact O-CB 3.3Å; A1048-A1052 WeakPolarHBondContact O-CB 3.43Å; A1048-A1052 PolarHBondContact O-N 2.85Å; A1049-A1052 PolarHBondContact O-N 3.19Å; A1052-S1056 VanDerWaalsContact O-CB 3.29Å; A1052-S1056 WeakPolarHBondContact O-CB 3.29Å; A1052-S1056 PolarHBondContact O-N 3.35Å; A1052-S1056 PolarHBondContact O-OG 3.44Å
1053	A	70.8	Confident	59.5	Low	60 Å²	60	76.1 Å²	76.1	50%	0.496	56%	0.564	S	S	.	*	H	α-helix	trans	-69.4	-40.8	174.8	0	0	0	0	0	111.4	A1049 A1050 S1056 S1057	A1049-A1053 WeakPolarHBondContact O-CB 3.47Å; A1049-A1053 PolarHBondContact O-N 3.21Å; A1050-A1053 PolarHBondContact O-N 3.34Å; A1053-S1056 PolarHBondContact O-N 3.32Å; A1053-S1057 WeakPolarHBondContact O-CB 3.16Å; A1053-S1057 PolarHBondContact O-N 3.23Å; A1053-S1057 PolarHBondContact O-OG 3.29Å
1054	A	68.5	Low	58.6	Low	48 Å²	48	79.9 Å²	79.9	40%	0.397	59%	0.587	S	S	.	*	H	α-helix	trans	-65.4	-42.2	173.1	0	0	0	0	0	111.9	A1050 A1051 S1056 S1057 L1058	A1050-A1054 WeakPolarHBondContact O-CB 3.4Å; A1050-A1054 PolarHBondContact O-N 3.42Å; A1051-A1054 PolarHBondContact O-N 3.43Å; A1054-S1056 VanDerWaalsContact C-N 3.28Å; A1054-S1056 PolarHBondContact O-N 3.45Å; A1054-S1057 PolarHBondContact O-N 3.41Å; A1054-S1057 PolarHBondContact O-OG 3.26Å; A1054-S1057 VanDerWaalsContact O-OG 3.09Å; A1054-L1058 VanDerWaalsContact O-CD1 3.25Å; A1054-L1058 WeakPolarHBondContact O-CD1 3.47Å; A1054-L1058 PolarHBondContact O-N 2.78Å
1055	A	64.5	Low	57.5	Low	65 Å²	65	88.9 Å²	88.9	54%	0.537	61%	0.608	S	S	.	*	H	α-helix	trans	-63.8	-34.1	173.2	0	0	0	0	0	112.3	A1051 A1059	A1051-A1055 WeakPolarHBondContact O-CB 3.41Å; A1051-A1055 PolarHBondContact O-N 3.44Å; A1055-A1059 PolarHBondContact O-N 3.35Å
1056	S	62.8	Low	56.3	Low	77 Å²	77	92.6 Å²	92.6	54%	0.538	62%	0.624	S	S	.	*	H	α-helix	trans	-77.9	-33.7	177.4	-56.9	0	0	0	0	112.9	A1052 A1053 A1054 A1059	A1052-S1056 VanDerWaalsContact O-CB 3.29Å; A1052-S1056 WeakPolarHBondContact O-CB 3.29Å; A1052-S1056 PolarHBondContact O-N 3.35Å; A1052-S1056 PolarHBondContact O-OG 3.44Å; A1053-S1056 PolarHBondContact O-N 3.32Å; A1054-S1056 VanDerWaalsContact C-N 3.28Å; A1054-S1056 PolarHBondContact O-N 3.45Å; S1056-A1059 WeakPolarHBondContact O-CB 3.23Å; S1056-A1059 PolarHBondContact O-N 3.11Å; S1056-A1059 VanDerWaalsContact O-N 3.16Å
1057	S	58.6	Low	54.7	Low	71 Å²	71	100.7 Å²	100.7	50%	0.497	64%	0.642	S	S	.	*	H	α-helix	trans	-72	-34	175.4	64.6	0	0	0	0	112	A1053 A1054 A1059 T1060	A1053-S1057 WeakPolarHBondContact O-CB 3.16Å; A1053-S1057 PolarHBondContact O-N 3.23Å; A1053-S1057 PolarHBondContact O-OG 3.29Å; A1054-S1057 PolarHBondContact O-N 3.41Å; A1054-S1057 PolarHBondContact O-OG 3.26Å; A1054-S1057 VanDerWaalsContact O-OG 3.09Å; S1057-A1059 PolarHBondContact O-N 3.29Å; S1057-T1060 PolarHBondContact O-N 2.97Å
1058	L	51.1	Low	53.2	Low	145 Å²	145	106.5 Å²	106.5	76%	0.759	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-67.2	-19.5	168.4	-92.2	79.2	0	0	0	113.3	A1054 T1060	A1054-L1058 VanDerWaalsContact O-CD1 3.25Å; A1054-L1058 WeakPolarHBondContact O-CD1 3.47Å; A1054-L1058 PolarHBondContact O-N 2.78Å; L1058-T1060 VanDerWaalsContact C-N 3.3Å
1059	A	49.9	Very low	52.2	Low	79 Å²	79	110.9 Å²	110.9	65%	0.653	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-79.7	-9.2	176.5	0	0	0	0	0	113.6	A1055 S1056 S1057	A1055-A1059 PolarHBondContact O-N 3.35Å; S1056-A1059 WeakPolarHBondContact O-CB 3.23Å; S1056-A1059 PolarHBondContact O-N 3.11Å; S1056-A1059 VanDerWaalsContact O-N 3.16Å; S1057-A1059 PolarHBondContact O-N 3.29Å
1060	T	47.8	Very low	51	Low	111 Å²	111	113.7 Å²	113.7	68%	0.681	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-137.6	59.9	179.5	55.6	0	0	0	0	113	S1057 L1058	S1057-T1060 PolarHBondContact O-N 2.97Å; L1058-T1060 VanDerWaalsContact C-N 3.3Å
1061	T	40	Very low	50.3	Low	125 Å²	125	116.8 Å²	116.8	77%	0.767	69%	0.693	S	S	*	*			trans	-149.2	117.9	146	-68.6	0	0	0	0	109.3	G1063	T1061-G1063 PolarHBondContact O-N 3.43Å
1062	S	38.2	Very low	49.5	Very low	118 Å²	118	118.2 Å²	118.2	83%	0.825	71%	0.705	S	S	*	*			trans	-68.6	123.1	175.9	47.8	0	0	0	0	111.8
1063	G	34.9	Very low	48.6	Very low	69 Å²	69	121 Å²	121	71%	0.711	72%	0.718	S	S	*	*			trans	73.9	90.4	151.2	0	0	0	0	0	117.8	T1061	T1061-G1063 PolarHBondContact O-N 3.43Å
1064	S	39	Very low	47.9	Very low	131 Å²	131	124.6 Å²	124.6	92%	0.916	74%	0.736	S	S	*	*				-168.7	155.5	125.2	-88.2	0	0	0	0	112.9
1065	R	34.5	Very low	46.4	Very low	251 Å²	251	131.2 Å²	131.2	95%	0.947	76%	0.761	S	S	*	*			trans	-95.7	108.2	-163.1	-176.4	-172.7	-162.9	171	3.7	111
1066	V	39.1	Very low	45	Very low	136 Å²	136	132.2 Å²	132.2	82%	0.824	78%	0.778	S	S	*	*			trans	-131.9	137.9	171.1	-175.3	0	0	0	0	111.2
1067	R	36.6	Very low	43.7	Very low	228 Å²	228	131.9 Å²	131.9	86%	0.86	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-93.7	120.2	-171.3	-169.1	-173.2	-156.9	175.4	5.7	109.5
1068	Y	36.5	Very low	42.7	Very low	228 Å²	228	137.2 Å²	137.2	89%	0.894	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-90.8	118	173.5	-116.3	-86	0	0	0	111
1069	Q	45.2	Very low	41.8	Very low	151 Å²	151	141 Å²	141	71%	0.706	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-93.1	146.2	163.1	-74.7	176.2	-28.4	0	0	109.3
1070	P	47.1	Very low	41	Very low	118 Å²	118	147.2 Å²	147.2	77%	0.766	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-70.4	141.7	167.4	30.5	-33.1	0	0	0	110.3
1071	P	55.8	Low	40.1	Very low	128 Å²	128	152.5 Å²	152.5	83%	0.831	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-72	142.6	-177.9	28.9	-34.6	0	0	0	112.5
1072	A	49.3	Very low	39.8	Very low	90 Å²	90	151.2 Å²	151.2	74%	0.744	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-78.9	152.4	175.9	0	0	0	0	0	112.4
1073	P	49.6	Very low	39.6	Very low	113 Å²	113	152 Å²	152	73%	0.734	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-74.8	145.2	172.5	31.7	-34.3	0	0	0	111.5
1074	P	57.3	Low	39.7	Very low	135 Å²	135	156.9 Å²	156.9	88%	0.877	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-73.8	137.2	179.8	29.4	-34	0	0	0	112.5
1075	M	37.7	Very low	39.4	Very low	187 Å²	187	154.8 Å²	154.8	92%	0.921	81%	0.812	S	S	*	*			trans	-127.9	138.3	175.6	-92.7	-93.4	-77.5	0	0	110.1
1076	G	35.1	Very low	39.5	Very low	86 Å²	86	149.6 Å²	149.6	89%	0.887	80%	0.803	S	S	*	*			trans	101	146.7	156.4	0	0	0	0	0	118.1
1077	G	35.3	Very low	39.5	Very low	70 Å²	70	148.6 Å²	148.6	72%	0.722	80%	0.802	S	S	*	*			trans	125.3	61.8	174.4	0	0	0	0	0	114
1078	Q	37.1	Very low	39.5	Very low	182 Å²	182	149.6 Å²	149.6	85%	0.85	81%	0.806	S	S	*	*				70.2	108.6	100.4	-73.6	179.9	-16.1	0	0	116.8
1079	R	31.5	Very low	39.8	Very low	226 Å²	226	144.8 Å²	144.8	85%	0.853	80%	0.803	S	S	*	*				46.1	124.4	128.9	-65.1	-176.3	171.1	-158.4	-2.4	119.3
1080	F	33.6	Very low	39.4	Very low	209 Å²	209	140.6 Å²	140.6	92%	0.917	80%	0.8	S	S	*	*				-161.3	132.7	105.7	-100.6	-73.8	0	0	0	110.1
1081	Y	28.9	Very low	39.1	Very low	221 Å²	221	141.5 Å²	141.5	87%	0.867	80%	0.803	S	S	*	*			trans	-90.5	148.6	164.1	-86.7	-99.3	0	0	0	108.3
1082	S	34.8	Very low	38.2	Very low	98 Å²	98	140 Å²	140	69%	0.685	80%	0.802	S	S	*	*				157	132.8	119	-67.6	0	0	0	0	114.2
1083	N	34	Very low	37.6	Very low	136 Å²	136	141.5 Å²	141.5	73%	0.727	80%	0.797	S	S	*	*			trans	78.6	139.1	139.6	-64.5	-1	0	0	0	123
1084	M	35.1	Very low	37.1	Very low	171 Å²	171	144.5 Å²	144.5	84%	0.842	80%	0.801	S	S	*	*			trans	66.8	143.8	147.6	-70.1	154.3	159.1	0	0	118.2
1085	S	33.6	Very low	36	Very low	86 Å²	86	142 Å²	142	60%	0.601	80%	0.8	S	S	*	*			cis	174.9	156.8	-35.3	49.9	0	0	0	0	105.1
1086	D	36.7	Very low	36	Very low	143 Å²	143	139.2 Å²	139.2	77%	0.765	80%	0.8	S	S	*	*			trans	77.4	143	155.8	-54.1	-43.5	0	0	0	123.3
1087	S	38.3	Very low	36	Very low	114 Å²	114	138.9 Å²	138.9	80%	0.797	80%	0.796	S	S	*	*			trans	79.4	79.4	147.6	-62.5	0	0	0	0	121
1088	R	37.2	Very low	35.9	Very low	250 Å²	250	142.4 Å²	142.4	94%	0.943	80%	0.798	S	S	*	*				23.2	160	115.8	-85.7	-156.2	170.3	-161.1	0.7	122.5
1089	P	43.4	Very low	35.8	Very low	126 Å²	126	138.3 Å²	138.3	82%	0.818	80%	0.796	S	S	*	*			trans	-127.6	178.7	-142.7	44.9	-31.5	0	0	0	116.6
1090	G	36.6	Very low	35.7	Very low	63 Å²	63	138 Å²	138	65%	0.649	80%	0.801	S	S	*	*			trans	176.5	159.3	155.3	0	0	0	0	0	110.1
1091	T	39.6	Very low	35.6	Very low	137 Å²	137	133.4 Å²	133.4	84%	0.84	79%	0.79	S	S	*	*			cis	175.8	132.1	-6.8	18	0	0	0	0	105.1
1092	A	38.5	Very low	35.7	Very low	96 Å²	96	129.5 Å²	129.5	79%	0.793	79%	0.789	S	S	*	*			trans	63	160.4	165.7	0	0	0	0	0	116.9
1093	N	36.2	Very low	35.6	Very low	122 Å²	122	130.3 Å²	130.3	65%	0.652	80%	0.795	S	S	*	*			cis	-154.1	148.8	5.9	-150.4	5.6	0	0	0	112.2
1094	Q	37.9	Very low	35.6	Very low	176 Å²	176	127.2 Å²	127.2	82%	0.822	80%	0.795	S	S	*	*			trans	38.1	127.3	150	-73.2	165.8	56.6	0	0	122.5
1095	G	35.7	Very low	35.5	Very low	83 Å²	83	125.2 Å²	125.2	86%	0.856	79%	0.792	S	S	*	*			trans	175.9	70.9	166.4	0	0	0	0	0	116
1096	S	36	Very low	35.5	Very low	129 Å²	129	126.7 Å²	126.7	90%	0.902	79%	0.793	S	S	*	*			trans	-42.5	140.3	178.7	52	0	0	0	0	118.8
1097	G	35.6	Very low	35.4	Very low	79 Å²	79	128.1 Å²	128.1	81%	0.814	79%	0.793	S	S	*	*			trans	-178.7	112.8	159.3	0	0	0	0	0	114.3
1098	D	33	Very low	35	Very low	144 Å²	144	126 Å²	126	77%	0.77	79%	0.789	S	S	*	*			trans	-72.2	126.3	176.2	-74.6	-92.3	0	0	0	112	K449	K449-D1098 IonicContact NZ-OD1 2.69Å; K449-D1098 PolarHBondContact NZ-OD1 2.81Å
1099	A	35.7	Very low	34.8	Very low	96 Å²	96	123.4 Å²	123.4	79%	0.793	79%	0.785	S	S	*	*			trans	-170	117.6	144.7	0	0	0	0	0	111.1
1100	F	28.7	Very low	34.1	Very low	219 Å²	219	123.7 Å²	123.7	96%	0.961	78%	0.779	S	S	*	*			trans	-110.9	95.3	-176.8	-137.5	-84.2	0	0	0	110.6
1101	T	31.3	Very low	33.8	Very low	113 Å²	113	127 Å²	127	69%	0.693	78%	0.781	S	S	*	*			trans	-153.6	147.9	173.2	50.2	0	0	0	0	111.5
1102	T	32.4	Very low	33.1	Very low	138 Å²	138	130.2 Å²	130.2	85%	0.847	78%	0.777	S	S	*	*			trans	71.8	150.8	173.5	79.4	0	0	0	0	114.7
1103	S	32.9	Very low	32.7	Very low	116 Å²	116	138.3 Å²	138.3	81%	0.811	80%	0.795	S	S	*	*			cis	-171.1	150.3	-21.2	46.2	0	0	0	0	109.9
1104	G	32.7	Very low	32.5	Very low	70 Å²	70	139.1 Å²	139.1	72%	0.722	80%	0.802	S	S	*	*			trans	139.4	100.7	177.8	0	0	0	0	0	109.6
1105	V	33.4	Very low	32.2	Very low	129 Å²	129	137.2 Å²	137.2	78%	0.782	80%	0.801	S	S	*	*			cis	69.5	80.5	37.3	-161.9	0	0	0	0	113
1106	D	33.8	Very low	32	Very low	118 Å²	118	140.2 Å²	140.2	63%	0.631	80%	0.798	S	S	*	*			trans	170.3	157.4	137.2	-94.1	8.3	0	0	0	110.4
1107	K	33.4	Very low	31.8	Very low	172 Å²	172	140.8 Å²	140.8	75%	0.748	79%	0.792	S	S	*	*			cis	-167.6	136.4	-31.2	-116.4	178.8	-158.8	108.6	0	106.8
1108	G	31.6	Very low	31.6	Very low	69 Å²	69	144.7 Å²	144.7	71%	0.711	79%	0.791	S	S	*	*			trans	59.3	124.1	153	0	0	0	0	0	121.3
1109	F	31.4	Very low	31.5	Very low	197 Å²	197	144.7 Å²	144.7	86%	0.864	79%	0.792	S	S	*	*				178	115.8	106	-110.9	-99.7	0	0	0	107.5
1110	L	30.7	Very low	31.2	Very low	132 Å²	132	148.2 Å²	148.2	69%	0.691	79%	0.792	S	S	*	*				71.3	120.9	66.5	-91.5	163	0	0	0	115.9
1111	L	29.4	Very low	31.4	Very low	131 Å²	131	142.8 Å²	142.8	69%	0.686	78%	0.779	S	S	*	*			trans	74.9	120.1	159.4	-60.6	155.2	0	0	0	116.1
1112	R	24.4	Very low	31.4	Very low	206 Å²	206	145.3 Å²	145.3	78%	0.777	79%	0.786	S	S	*	*			cis	86.4	84.5	49.7	-174.1	-165.3	-166	-178.4	7.2	112.3
1113	F	30.4	Very low	31.3	Very low	265 Å²	265	145.9 Å²	145.9	100%	1.162	78%	0.78	S	S	*	*				-151.4	0	104	-117.4	-80.9	0	0	0	110.3

Retrieved 1,113 of 1,113 residues in 739.4 ms (Link to these results)

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