A0A5K4F203_SCHMA Loading...

SUN domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F203, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,126 aa.

						>A0A5K4F203_SCHMA|A0A5K4F203
MFDIWKRPNPSNSTVKEVQNEMQSGMASTSVSTRHSVWEEETTYKETLYDGSYRTDRLHDTWMSPNMSRLPLGSSKFNSSLESSNRLTAPKIRNMHPMLDRLSSKVESSTIIRTSSSENIEEGMNSRYSDFSSTNSSGSKSRLLRSTARKFKNERSGSRKLATREYPVSHELGNNNKPSGSDNLTLHDDQDESIITPMERARPRKSERLAFRNKLKSQQSSALVSVNTIHRQETSPYLSLTSTFVYPNKPQSTVASMIMSSKALQMSSQVYSNVGNSVTTNTNPWMKRISSIWGRSSSNNLSAISSNDNLNFDSTQSHMVQRRPRGWLARHMFGLERDTTEDPNFESRNIDNQFMSSDIEDNYDANISYHKTKSVTNRNKTLVHFNLPDSNSFRSGLLLRRSRLCFYTQSVLNSLRNMSIHFLAFLMAFIYAVGNIFLYTLSCLPRLFHWLFGKLFSGNDDSSAMSLKHHSRLRTDLLRFQNSTGSSSFYVQRNNIWNFCLRLVLPLLILFPLLLILSLLFAPTDLSNNSSLKLFPFFSDSNCTYELSEPRPDSTHIWNLFKWKARCLYVRYFLSSELDEDNSRSDKENDRWQWIPFFSSSKPTDQIIFDAGNLNDVTTNKVIEQLISLSQSVNKRLDVLSQTIKVTDDRLINLKEDSIRKSDMLNLQLIEMRNMFDHHINEWNHFYMKYNQSDNIIRSSERLSDNKDFNSDHNAAFRIESDRLLRLASEAANHSIATQLDELRTKILQDLIKSDLEKNISIQNMSILLNSLRSQLSIRTKETRKELHRLHSQLTINNNRSKKFIDFENNLLQLQNKINLLTLRISDLERLNEESKSTFTYIKDELKKCSRDEEIKKDCHDAAIEQMNFAITNLSQSFSTQIKEIVQETIINELRDSDSVLFTYFRQTVSTLAKESVDKLIYNRHSELVPHSLENKATLAKMIDEALHLFAADRTGLTDYALESSGGSIVGTRCTKTYTEGASLFSIFGLPLARLSNSPRTILQPGNNPGDCWPFHGSKGQAIIRLSSPIIISSVTLEHLPRELAPNGRLDSAPRDFLVKALQTEYDDGVVLGEFTYDVNSRPIQNFPIKEYSKSIQFVELVILSNHGHPKYTCIYRFRVHGNMIT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	31.2	Very low	245 Å²	245	179.2 Å²	179.2	100%	1.207	88%	0.881	S	S	*	*				0	15	0	-137.1	174.1	-163	0	0	112.3
2	F	30.1	Very low	30.9	Very low	203 Å²	203	178.4 Å²	178.4	89%	0.89	88%	0.884	S	S	*	*			trans	-98.9	109.3	170.8	-67.8	-86.3	0	0	0	106.7
3	D	35.9	Very low	30.9	Very low	165 Å²	165	172.5 Å²	172.5	88%	0.882	87%	0.871	S	S	*	*			trans	169.9	63.5	159.2	-91.3	-15.7	0	0	0	110.2
4	I	37	Very low	30.6	Very low	158 Å²	158	170.1 Å²	170.1	81%	0.81	87%	0.869	S	S	*	*			trans	-139.1	117.9	159.4	-54	176.6	0	0	0	102.6
5	W	29.6	Very low	30.6	Very low	248 Å²	248	166.4 Å²	166.4	94%	0.939	86%	0.857	S	S	*	*			trans	150.3	60.4	166.9	-89.7	60.7	0	0	0	109
6	K	30.7	Very low	30.5	Very low	199 Å²	199	169.6 Å²	169.6	87%	0.865	86%	0.863	S	S	*	*			trans	-150.5	101.3	156.6	-86.4	-169.1	-179.3	173.8	0	108.4
7	R	29.6	Very low	30.4	Very low	242 Å²	242	169.4 Å²	169.4	91%	0.913	86%	0.858	S	S	*	*			trans	-176.4	116.1	142	-101.9	176	-155.2	-150.9	7	109.7
8	P	30.3	Very low	30.4	Very low	117 Å²	117	167.8 Å²	167.8	76%	0.76	86%	0.858	S	S	*	*			trans	-87.9	131.5	167.2	33.1	-25.8	0	0	0	109.2
9	N	29.9	Very low	30.3	Very low	161 Å²	161	169.1 Å²	169.1	86%	0.861	86%	0.86	S	S	*	*			trans	-119.7	117.9	164.4	-99.3	-2.4	0	0	0	108.4
10	P	27.9	Very low	30.1	Very low	124 Å²	124	169 Å²	169	81%	0.805	86%	0.861	S	S	*	*			trans	-93.7	121.3	167.9	33.2	-24.2	0	0	0	109.5
11	S	31	Very low	30.1	Very low	109 Å²	109	169.9 Å²	169.9	76%	0.762	86%	0.862	S	S	*	*			trans	-156.2	107.6	158.5	57.2	0	0	0	0	110	S13	S11-S13 PolarHBondContact O-N 2.89Å
12	N	27.5	Very low	30	Very low	170 Å²	170	167.4 Å²	167.4	91%	0.909	85%	0.85	S	S	*	*			trans	-56.8	124.2	161.8	-82	-27.4	0	0	0	109.9
13	S	30.7	Very low	29.9	Very low	102 Å²	102	167.4 Å²	167.4	71%	0.713	85%	0.853	S	S	*	*			trans	-145.6	101	150.3	62.5	0	0	0	0	108.6	S11 V15	S11-S13 PolarHBondContact O-N 2.89Å; S13-V15 PolarHBondContact O-N 3.37Å
14	T	27.3	Very low	29.6	Very low	139 Å²	139	165.4 Å²	165.4	85%	0.853	85%	0.852	S	S	*	*			trans	-62.9	107.9	165.6	45.5	0	0	0	0	109.4
15	V	30.2	Very low	29.2	Very low	114 Å²	114	161.4 Å²	161.4	69%	0.691	85%	0.849	S	S	*	*			trans	-133.6	91.5	160.6	-178.4	0	0	0	0	106.8	S13 E17	S13-V15 PolarHBondContact O-N 3.37Å; V15-E17 HydrophobicContact CG1-CB 4.16Å; V15-E17 PolarHBondContact O-N 2.82Å
16	K	28.4	Very low	29.4	Very low	217 Å²	217	159.1 Å²	159.1	94%	0.943	85%	0.851	S	S	*	*			trans	-81.1	97.3	160.3	-84	-177.6	173.8	-179.8	0	106.2
17	E	29.7	Very low	29.4	Very low	166 Å²	166	154.1 Å²	154.1	78%	0.776	85%	0.848	S	S	*	*			trans	-153.3	151.1	166.5	-128.6	167.7	-171.1	0	0	107.6	V15	V15-E17 HydrophobicContact CG1-CB 4.16Å; V15-E17 PolarHBondContact O-N 2.82Å
18	V	30.3	Very low	29.3	Very low	142 Å²	142	147.9 Å²	147.9	86%	0.861	84%	0.841	S	S	*	*			trans	85.4	56.4	-171	-157	0	0	0	0	114.9
19	Q	27.8	Very low	29.3	Very low	191 Å²	191	149.4 Å²	149.4	89%	0.893	85%	0.848	S	S	*	*			trans	-147.2	49.5	148.6	-148.4	148.3	-6.3	0	0	111.4
20	N	27.7	Very low	29.2	Very low	167 Å²	167	146.8 Å²	146.8	89%	0.893	84%	0.842	S	S	*	*			trans	-123.7	76.7	173.3	-81.8	-10.9	0	0	0	109.1
21	E	29	Very low	29.4	Very low	189 Å²	189	147.7 Å²	147.7	88%	0.883	85%	0.846	S	S	*	*			trans	-161.5	82.8	161.7	-116.9	178.9	-161.9	0	0	107.8
22	M	28.6	Very low	29.1	Very low	192 Å²	192	147 Å²	147	95%	0.946	84%	0.841	S	S	*	*			trans	169	69.7	154.6	-95.2	179.7	-177.2	0	0	108.6
23	Q	29.2	Very low	29.2	Very low	204 Å²	204	144.5 Å²	144.5	95%	0.953	83%	0.832	S	S	*	*			trans	-156.5	89.9	159	-111.8	173.9	13.4	0	0	108.6
24	S	29.5	Very low	29	Very low	123 Å²	123	150.3 Å²	150.3	86%	0.86	84%	0.838	S	S	*	*			trans	-121.3	120.9	164.9	52.4	0	0	0	0	108.7
25	G	29.5	Very low	28.9	Very low	73 Å²	73	152.2 Å²	152.2	75%	0.753	84%	0.837	S	S	*	*			trans	88.8	82.6	152.9	0	0	0	0	0	117.4
26	M	32.5	Very low	28.9	Very low	200 Å²	200	151.5 Å²	151.5	99%	0.985	84%	0.837	S	S	*	*				-142.1	125.3	126.4	-79	-154.3	175.5	0	0	109.9
27	A	31.1	Very low	28.8	Very low	95 Å²	95	146.6 Å²	146.6	79%	0.785	83%	0.825	S	S	*	*			trans	-81.2	152.6	-169.2	0	0	0	0	0	112.8
28	S	27.5	Very low	28.6	Very low	111 Å²	111	148.6 Å²	148.6	78%	0.776	83%	0.826	S	S	*	*			trans	-44.6	139.6	169.3	50.8	0	0	0	0	116
29	T	31.2	Very low	28.4	Very low	148 Å²	148	150.5 Å²	150.5	91%	0.908	83%	0.825	S	S	*	*			trans	-148.6	120.9	136.8	10	0	0	0	0	110.1
30	S	26.3	Very low	28.6	Very low	106 Å²	106	149 Å²	149	74%	0.741	82%	0.818	S	S	*	*			trans	-79.4	142.7	178.5	50.2	0	0	0	0	112.3
31	V	31.8	Very low	28.7	Very low	144 Å²	144	149.9 Å²	149.9	87%	0.873	82%	0.817	S	S	*	*			trans	-151.6	120.6	137.9	177.9	0	0	0	0	109.1
32	S	24.6	Very low	28.7	Very low	95 Å²	95	146.6 Å²	146.6	66%	0.664	81%	0.81	S	S	*	*			trans	-79.5	152	167.2	68.9	0	0	0	0	111.2
33	T	30.4	Very low	28.7	Very low	117 Å²	117	143.5 Å²	143.5	72%	0.718	80%	0.802	S	S	*	*				175.5	127.5	119.7	29.2	0	0	0	0	113.6
34	R	25.9	Very low	28.6	Very low	223 Å²	223	144.2 Å²	144.2	84%	0.842	80%	0.797	S	S	*	*			trans	66.5	108.9	134.7	-71.2	178.8	177.2	172.3	-0.8	122.1
35	H	25	Very low	28.6	Very low	180 Å²	180	147.4 Å²	147.4	83%	0.833	80%	0.796	S	S	*	*				37.4	115.1	120	-74.8	-59.4	0	0	0	119.4
36	S	30.1	Very low	28.5	Very low	98 Å²	98	153.2 Å²	153.2	69%	0.685	80%	0.803	S	S	*	*				-151.8	128.2	118.3	60.1	0	0	0	0	109.6
37	V	26.6	Very low	28.4	Very low	115 Å²	115	149 Å²	149	70%	0.697	79%	0.789	S	S	*	*			trans	-83.4	117.4	173	171.7	0	0	0	0	105.8	E39	V37-E39 HydrophobicContact CG1-CG 4.17Å
38	W	26.6	Very low	28.3	Very low	208 Å²	208	152 Å²	152	79%	0.788	79%	0.791	S	S	*	*			trans	-118	98.7	163.5	-78.5	82.4	0	0	0	106.5	E40	W38-E40 PolarHBondContact O-N 3.01Å
39	E	26.2	Very low	28.4	Very low	181 Å²	181	156.8 Å²	156.8	85%	0.846	79%	0.793	S	S	*	*			trans	-76.5	105.3	160.8	-74.1	175.6	155.9	0	0	106.6	V37	V37-E39 HydrophobicContact CG1-CG 4.17Å
40	E	32	Very low	28.3	Very low	159 Å²	159	156.5 Å²	156.5	74%	0.743	79%	0.786	S	S	*	*			trans	-123	126.7	162.9	-86.5	-173	167.5	0	0	109.2	W38 T42	W38-E40 PolarHBondContact O-N 3.01Å; E40-T42 PolarHBondContact O-N 3.23Å
41	E	28.4	Very low	28.4	Very low	186 Å²	186	154.2 Å²	154.2	87%	0.869	78%	0.779	S	S	*	*			trans	-60.1	122.2	-172.2	-65.7	173	145.9	0	0	111.9	T43	E41-T43 PolarHBondContact O-N 3.5Å
42	T	30.4	Very low	28.2	Very low	120 Å²	120	151.8 Å²	151.8	74%	0.736	77%	0.769	S	S	*	*			trans	-71.5	87	174.8	53.7	0	0	0	0	110.4	E40 Y44	E40-T42 PolarHBondContact O-N 3.23Å; T42-Y44 PolarHBondContact O-N 3.33Å
43	T	28.7	Very low	28.4	Very low	128 Å²	128	158 Å²	158	79%	0.785	78%	0.779	S	S	*	*			trans	-79.2	98.6	160.3	34.7	0	0	0	0	108.4	E41 K45	E41-T43 PolarHBondContact O-N 3.5Å; T43-K45 PolarHBondContact O-N 2.66Å
44	Y	26.1	Very low	28.3	Very low	219 Å²	219	162.9 Å²	162.9	86%	0.859	79%	0.785	S	S	*	*			trans	-55.7	99	170.9	-84.6	-100.6	0	0	0	109.7	T42	T42-Y44 PolarHBondContact O-N 3.33Å
45	K	29.2	Very low	28.5	Very low	189 Å²	189	158.4 Å²	158.4	82%	0.822	78%	0.782	S	S	*	*			trans	-99.9	113.5	160.6	-89.9	-176.9	176	176	0	108	T43 T47	T43-K45 PolarHBondContact O-N 2.66Å; K45-T47 PolarHBondContact O-N 3.11Å
46	E	28.7	Very low	29	Very low	196 Å²	196	156.7 Å²	156.7	92%	0.916	78%	0.779	S	S	*	*			trans	-50.9	95.9	170.8	-67.1	170.9	150.2	0	0	110	L48	E46-L48 PolarHBondContact O-N 3.32Å
47	T	29.8	Very low	29.1	Very low	112 Å²	112	162.3 Å²	162.3	69%	0.687	79%	0.786	S	S	*	*			trans	-83.5	100.2	164.6	44.5	0	0	0	0	107.4	K45 Y49	K45-T47 PolarHBondContact O-N 3.11Å; T47-Y49 PolarHBondContact O-N 2.92Å
48	L	29.8	Very low	29.3	Very low	156 Å²	156	165.2 Å²	165.2	82%	0.817	80%	0.796	S	S	*	*			trans	-46.3	95.1	165.4	-165.2	75.2	0	0	0	109.2	E46 D50	E46-L48 PolarHBondContact O-N 3.32Å; L48-D50 VanDerWaalsContact C-N 3.34Å; L48-D50 PolarHBondContact O-N 3.22Å
49	Y	28.5	Very low	29.6	Very low	212 Å²	212	161.3 Å²	161.3	83%	0.831	79%	0.786	S	S	*	*			trans	-76.1	89.8	175.5	-110.7	-92.6	0	0	0	108.1	T47 G51	T47-Y49 PolarHBondContact O-N 2.92Å; Y49-G51 PolarHBondContact O-N 2.81Å
50	D	29.4	Very low	30.1	Very low	142 Å²	142	159 Å²	159	76%	0.759	78%	0.78	S	S	*	*			trans	-64.3	80.8	161	-99	-21.6	0	0	0	108.6	L48 S52	L48-D50 VanDerWaalsContact C-N 3.34Å; L48-D50 PolarHBondContact O-N 3.22Å; D50-S52 PolarHBondContact O-N 3.12Å
51	G	27.6	Very low	30.3	Very low	58 Å²	58	157.3 Å²	157.3	60%	0.598	78%	0.781	S	S	*	*			trans	-71.9	67.7	166	0	0	0	0	0	109.9	Y49 Y53	Y49-G51 PolarHBondContact O-N 2.81Å; G51-Y53 PolarHBondContact O-N 3.42Å
52	S	27.8	Very low	30.4	Very low	93 Å²	93	161.3 Å²	161.3	65%	0.65	79%	0.788	S	S	*	*			trans	-65.1	105.9	166.6	78.1	0	0	0	0	107	D50 R54	D50-S52 PolarHBondContact O-N 3.12Å; S52-R54 VanDerWaalsContact C-N 3.28Å; S52-R54 PolarHBondContact O-N 3.23Å
53	Y	29.3	Very low	30.6	Very low	226 Å²	226	163.5 Å²	163.5	89%	0.886	79%	0.792	S	S	*	*			trans	-59.6	97.3	167.3	-82.2	-95.2	0	0	0	107.3	G51 T55	G51-Y53 PolarHBondContact O-N 3.42Å; Y53-T55 VanDerWaalsContact C-N 3.33Å; Y53-T55 PolarHBondContact O-N 3.1Å
54	R	28.7	Very low	30.9	Very low	220 Å²	220	162.4 Å²	162.4	83%	0.83	79%	0.789	S	S	*	*			trans	-61.7	104.4	163.5	-85.2	-175.5	170.8	-173.4	-1.6	105.9	S52 D56	S52-R54 VanDerWaalsContact C-N 3.28Å; S52-R54 PolarHBondContact O-N 3.23Å; R54-D56 PolarHBondContact O-N 2.96Å
55	T	30.7	Very low	31.4	Very low	128 Å²	128	157.5 Å²	157.5	79%	0.785	78%	0.784	S	S	*	*			trans	-62.3	89.9	165.6	53.6	0	0	0	0	106.8	Y53 R57	Y53-T55 VanDerWaalsContact C-N 3.33Å; Y53-T55 PolarHBondContact O-N 3.1Å; T55-R57 PolarHBondContact O-N 3.22Å
56	D	35.2	Very low	31.6	Very low	145 Å²	145	154.7 Å²	154.7	78%	0.775	78%	0.778	S	S	*	*			trans	-59.8	112.7	163	-87.3	-24.7	0	0	0	106.6	R54 L58	R54-D56 PolarHBondContact O-N 2.96Å; D56-L58 VanDerWaalsContact C-N 3.28Å; D56-L58 PolarHBondContact O-N 3.05Å
57	R	31	Very low	31.7	Very low	216 Å²	216	153.7 Å²	153.7	82%	0.815	78%	0.776	S	S	*	*			trans	-49.1	89.8	171.4	-105.2	173.7	-174.1	152.1	5.7	108.8	T55 H59	T55-R57 PolarHBondContact O-N 3.22Å; R57-H59 PolarHBondContact O-N 3.4Å
58	L	31.7	Very low	32.1	Very low	175 Å²	175	152.9 Å²	152.9	92%	0.916	77%	0.774	S	S	*	*			trans	-77.4	74.6	157.2	-76.2	168.1	0	0	0	107.2	D56 D60	D56-L58 VanDerWaalsContact C-N 3.28Å; D56-L58 PolarHBondContact O-N 3.05Å; L58-D60 PolarHBondContact O-N 3.29Å
59	H	32.1	Very low	32.3	Very low	126 Å²	126	156.7 Å²	156.7	58%	0.583	78%	0.778	S	S	*	*			trans	-71.2	119.9	163.3	-98.2	-71.4	0	0	0	109.1	R57	R57-H59 PolarHBondContact O-N 3.4Å
60	D	36.6	Very low	32.5	Very low	133 Å²	133	154 Å²	154	71%	0.711	78%	0.777	S	S	*	*	S	Bend	trans	42.9	82.2	135.1	-54.5	-39.4	0	0	0	117.7	L58	L58-D60 PolarHBondContact O-N 3.29Å
61	T	37	Very low	32.7	Very low	124 Å²	124	153 Å²	153	76%	0.761	78%	0.778	S	S	*	*			trans	-159.1	53.2	146	35.7	0	0	0	0	111.2	M63	T61-M63 VanDerWaalsContact C-N 3.25Å; T61-M63 PolarHBondContact O-N 3.47Å
62	W	30.8	Very low	32.9	Very low	270 Å²	270	158.4 Å²	158.4	100%	1.023	79%	0.793	S	S	*	*			trans	-86.3	77.3	160	-125.2	28.5	0	0	0	109.1
63	M	34.2	Very low	33	Very low	166 Å²	166	157.9 Å²	157.9	82%	0.818	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-78.2	117.3	166.7	-62.6	-165.1	90.9	0	0	107.9	T61	T61-M63 VanDerWaalsContact C-N 3.25Å; T61-M63 PolarHBondContact O-N 3.47Å
64	S	34.6	Very low	33	Very low	104 Å²	104	151.9 Å²	151.9	73%	0.727	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-52.2	133.4	172.5	54	0	0	0	0	110.3	N66	S64-N66 PolarHBondContact O-N 3.47Å; S64-N66 VanDerWaalsContact O-N 3.11Å
65	P	35.9	Very low	33	Very low	117 Å²	117	146.4 Å²	146.4	76%	0.76	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-60	116.8	-174.4	20.9	-30.4	0	0	0	111.1	M67	P65-M67 PolarHBondContact O-N 3.46Å
66	N	34	Very low	33	Very low	130 Å²	130	150.2 Å²	150.2	70%	0.695	79%	0.794	S	S	*	*			trans	-70.4	100.7	177.8	-173.2	0.4	0	0	0	109.8	S64 S68	S64-N66 PolarHBondContact O-N 3.47Å; S64-N66 VanDerWaalsContact O-N 3.11Å; N66-S68 PolarHBondContact O-N 3.44Å; N66-S68 PolarHBondContact OD1-OG 2.94Å; N66-S68 VanDerWaalsContact OD1-OG 3.05Å
67	M	31.5	Very low	32.6	Very low	174 Å²	174	153.5 Å²	153.5	86%	0.857	80%	0.802	S	S	*	*			trans	-71	8.7	-173.9	-72.3	-178.9	64	0	0	115.2	P65 R69	P65-M67 PolarHBondContact O-N 3.46Å; M67-R69 VanDerWaalsContact C-N 3.29Å; M67-R69 PolarHBondContact O-N 2.99Å
68	S	37.2	Very low	32.5	Very low	95 Å²	95	150.4 Å²	150.4	66%	0.664	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	18.9	-177.5	66.7	0	0	0	0	115	N66	N66-S68 PolarHBondContact O-N 3.44Å; N66-S68 PolarHBondContact OD1-OG 2.94Å; N66-S68 VanDerWaalsContact OD1-OG 3.05Å
69	R	35.3	Very low	32	Very low	237 Å²	237	147.5 Å²	147.5	89%	0.894	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	15.7	-172.1	-123.2	-179.5	-175.6	-174	1.1	117	M67	M67-R69 VanDerWaalsContact C-N 3.29Å; M67-R69 PolarHBondContact O-N 2.99Å
70	L	32.9	Very low	31.8	Very low	156 Å²	156	146.3 Å²	146.3	82%	0.817	80%	0.802	S	S	*	*	S	Bend	trans	-78.9	124.4	166.6	-87.2	153.6	0	0	0	110.1	L72	L70-L72 PolarHBondContact O-N 3.32Å
71	P	33.7	Very low	31.2	Very low	119 Å²	119	146.6 Å²	146.6	77%	0.773	80%	0.803	S	S	*	*			trans	-75.3	112.3	-166.5	28.4	-32.9	0	0	0	112	G73	P71-G73 VanDerWaalsContact C-N 3.35Å; P71-G73 PolarHBondContact O-N 2.98Å; P71-G73 VanDerWaalsContact O-N 3.08Å
72	L	31.6	Very low	30.6	Very low	173 Å²	173	148.7 Å²	148.7	91%	0.906	80%	0.804	S	S	*	*			trans	-74.8	88.8	164.2	-72.3	165.1	0	0	0	108.4	L70 S74	L70-L72 PolarHBondContact O-N 3.32Å; L72-S74 PolarHBondContact O-N 3.14Å
73	G	29.3	Very low	30.4	Very low	82 Å²	82	140.9 Å²	140.9	85%	0.845	79%	0.79	S	S	*	*			trans	-70.6	94.4	169.1	0	0	0	0	0	110	P71	P71-G73 VanDerWaalsContact C-N 3.35Å; P71-G73 PolarHBondContact O-N 2.98Å; P71-G73 VanDerWaalsContact O-N 3.08Å
74	S	29.5	Very low	29.9	Very low	100 Å²	100	137.8 Å²	137.8	70%	0.699	79%	0.785	S	S	*	*			trans	-93.1	140.1	168.1	59.9	0	0	0	0	111.3	L72	L72-S74 PolarHBondContact O-N 3.14Å
75	S	28.1	Very low	29.4	Very low	104 Å²	104	139.8 Å²	139.8	73%	0.727	79%	0.788	S	S	*	*			trans	68	104.2	150.2	68.4	0	0	0	0	119
76	K	30.2	Very low	28.8	Very low	208 Å²	208	145.3 Å²	145.3	90%	0.904	79%	0.793	S	S	*	*			trans	-143.3	86	130.3	-74.1	-166.2	-180	175.3	0	109.4
77	F	28.3	Very low	28.5	Very low	214 Å²	214	147.3 Å²	147.3	94%	0.939	80%	0.803	S	S	*	*			trans	-100.3	100.7	154.2	-98.5	-81.8	0	0	0	106.1
78	N	27.4	Very low	28.3	Very low	151 Å²	151	145.1 Å²	145.1	81%	0.807	80%	0.799	S	S	*	*			trans	-91.7	123.3	162.4	-97.2	-4.2	0	0	0	107.8
79	S	22.7	Very low	27.6	Very low	114 Å²	114	145.4 Å²	145.4	80%	0.797	81%	0.808	S	S	*	*			trans	-64.6	127.5	165.1	49.9	0	0	0	0	111.6
80	S	27.9	Very low	27.4	Very low	102 Å²	102	139.9 Å²	139.9	71%	0.713	80%	0.803	S	S	*	*			trans	-162.9	99.3	154.3	53	0	0	0	0	107.4
81	L	23.6	Very low	27	Very low	139 Å²	139	141.6 Å²	141.6	73%	0.728	80%	0.804	S	S	*	*				75.9	117	95.1	-90.1	129.4	0	0	0	112.7
82	E	23.2	Very low	26.5	Very low	167 Å²	167	142.9 Å²	142.9	78%	0.78	80%	0.802	S	S	*	*			trans	70.5	111.3	136.8	-69.5	171.7	170.6	0	0	119.6
83	S	27.4	Very low	26.3	Very low	107 Å²	107	146.7 Å²	146.7	75%	0.748	81%	0.805	S	S	*	*				160.2	108.4	106.7	53.9	0	0	0	0	107.8
84	S	24.2	Very low	26.1	Very low	101 Å²	101	149.4 Å²	149.4	71%	0.706	80%	0.8	S	S	*	*				88.4	117.5	91.6	-67.8	0	0	0	0	113
85	N	24.2	Very low	25.8	Very low	146 Å²	146	153.7 Å²	153.7	78%	0.781	81%	0.811	S	S	*	*			trans	86.6	111.7	137.8	-64.8	-21.2	0	0	0	119.6
86	R	23.3	Very low	25.8	Very low	233 Å²	233	157.2 Å²	157.2	88%	0.879	82%	0.816	S	S	*	*			trans	104.7	107.6	142.4	-69.6	173.9	-179.2	177.7	0.8	112.4
87	L	27.6	Very low	26	Very low	172 Å²	172	151.6 Å²	151.6	90%	0.901	80%	0.8	S	S	*	*				-160.5	131.2	102.1	-93.3	153.7	0	0	0	109.4
88	T	27	Very low	25.9	Very low	127 Å²	127	150.5 Å²	150.5	78%	0.779	80%	0.801	S	S	*	*			trans	-60.9	132.9	-178.5	42.6	0	0	0	0	112.6	P90	T88-P90 WeakPolarHBondContact O-CD 3.06Å
89	A	22.7	Very low	25.6	Very low	102 Å²	102	151 Å²	151	84%	0.843	80%	0.803	S	S	*	*			trans	-78.5	129.2	166.3	0	0	0	0	0	111.5
90	P	29.7	Very low	25.8	Very low	120 Å²	120	152.7 Å²	152.7	78%	0.779	80%	0.802	S	S	*	*			trans	-106.8	110.5	159.3	31.1	-17.2	0	0	0	111.1	T88	T88-P90 WeakPolarHBondContact O-CD 3.06Å
91	K	25.3	Very low	25.5	Very low	193 Å²	193	159.4 Å²	159.4	84%	0.839	81%	0.812	S	S	*	*			trans	28.9	104.6	137.6	-67	177.7	177.2	176.7	0	119.7
92	I	23.1	Very low	25.5	Very low	145 Å²	145	161.6 Å²	161.6	74%	0.744	82%	0.824	S	S	*	*				33.1	112.7	111.1	-52.1	166.5	0	0	0	117
93	R	27.1	Very low	25.4	Very low	253 Å²	253	158.9 Å²	158.9	96%	0.955	82%	0.823	S	S	*	*			trans	-138.6	110.6	134.9	-92	-172.3	178.2	172.5	-0.4	110.4
94	N	25	Very low	25.2	Very low	140 Å²	140	158.7 Å²	158.7	75%	0.749	82%	0.822	S	S	*	*			trans	-56.5	147.2	161.1	-69.4	-29	0	0	0	110.9
95	M	24.1	Very low	25.1	Very low	190 Å²	190	163.2 Å²	163.2	94%	0.936	83%	0.829	S	S	*	*			trans	-166.8	107.5	134.2	-94.5	-65.8	146.9	0	0	108.4
96	H	27	Very low	25	Very low	177 Å²	177	162.2 Å²	162.2	82%	0.819	83%	0.828	S	S	*	*			trans	-92.8	-179	164.5	-147.1	-97.5	0	0	0	107.8
97	P	35.9	Very low	25	Very low	90 Å²	90	159.3 Å²	159.3	58%	0.584	82%	0.824	S	S	*	*				-104	166.9	-99.3	42.3	-27.9	0	0	0	113.4
98	M	25.1	Very low	24.7	Very low	192 Å²	192	155.8 Å²	155.8	95%	0.946	81%	0.814	S	S	*	*			trans	-137.9	85.8	156.4	-95.5	-134.1	166.6	0	0	110.2
99	L	22.1	Very low	24.4	Very low	162 Å²	162	154.6 Å²	154.6	85%	0.848	81%	0.81	S	S	*	*			trans	-89	98.1	154	-82.2	162.3	0	0	0	106.4
100	D	25.5	Very low	24.3	Very low	148 Å²	148	156.2 Å²	156.2	79%	0.791	81%	0.81	S	S	*	*			trans	-178.4	105.6	153	-99.7	-19.3	0	0	0	109.6
101	R	23.2	Very low	24	Very low	243 Å²	243	157 Å²	157	92%	0.917	81%	0.806	S	S	*	*			trans	158	71.5	149.4	-87.8	172.3	-159.6	-149.8	6.4	110
102	L	23.5	Very low	23.9	Very low	185 Å²	185	154.6 Å²	154.6	97%	0.969	80%	0.801	S	S	*	*			trans	-129	83.7	157	-74.8	174	0	0	0	107.8
103	S	20.6	Very low	23.9	Very low	110 Å²	110	158.2 Å²	158.2	77%	0.769	81%	0.805	S	S	*	*			trans	-134	118.3	163.8	176.8	0	0	0	0	109.2
104	S	22.5	Very low	23.7	Very low	103 Å²	103	152.3 Å²	152.3	72%	0.72	80%	0.798	S	S	*	*			trans	83.9	119.7	152.9	78	0	0	0	0	121
105	K	23.5	Very low	23.7	Very low	197 Å²	197	150.9 Å²	150.9	86%	0.857	80%	0.799	S	S	*	*			trans	134.1	95.9	149.4	-79.8	178.9	175.5	179.6	0	109.4
106	V	21.7	Very low	23.6	Very low	125 Å²	125	147.2 Å²	147.2	76%	0.758	79%	0.792	S	S	*	*				62.5	113.4	52.8	-171.9	0	0	0	0	113.7
107	E	23	Very low	23.7	Very low	172 Å²	172	144.3 Å²	144.3	80%	0.804	79%	0.792	S	S	*	*			trans	94.6	110.5	151	-82.4	171.6	-159.7	0	0	123.1
108	S	21.6	Very low	23.1	Very low	98 Å²	98	148.6 Å²	148.6	69%	0.685	80%	0.804	S	S	*	*				100.2	102.2	115.6	-58.6	0	0	0	0	122.9
109	S	20.4	Very low	23.3	Very low	101 Å²	101	147.5 Å²	147.5	71%	0.706	80%	0.802	S	S	*	*			trans	10.2	136.5	131.8	60.5	0	0	0	0	123.9
110	T	21.2	Very low	23.4	Very low	136 Å²	136	147.3 Å²	147.3	83%	0.834	80%	0.8	S	S	*	*			trans	168.8	163	133.3	21.7	0	0	0	0	110
111	I	22.3	Very low	23.6	Very low	136 Å²	136	149.4 Å²	149.4	70%	0.697	81%	0.805	S	S	*	*			cis	175.2	132.4	-49.2	-98.1	174.3	0	0	0	106.3
112	I	24.1	Very low	23.6	Very low	144 Å²	144	147.2 Å²	147.2	74%	0.738	81%	0.805	S	S	*	*			trans	87.2	143.2	149	-70.2	167.1	0	0	0	124.5
113	R	21.6	Very low	24	Very low	220 Å²	220	142 Å²	142	83%	0.83	80%	0.797	S	S	*	*			trans	106.5	115.6	153.7	-92.8	153.2	-172.3	174.2	3	115.7
114	T	23	Very low	24.1	Very low	130 Å²	130	145.4 Å²	145.4	80%	0.798	80%	0.802	S	S	*	*			cis	73.7	101.4	47.9	72.9	0	0	0	0	116.4
115	S	25.9	Very low	24.4	Very low	109 Å²	109	148 Å²	148	76%	0.762	81%	0.808	S	S	*	*			trans	-166.3	109.8	153.6	52.9	0	0	0	0	106.9
116	S	22.6	Very low	24.4	Very low	113 Å²	113	142.2 Å²	142.2	79%	0.79	79%	0.792	S	S	*	*				64.9	96.7	73.1	73.1	0	0	0	0	114.7
117	S	28.8	Very low	24.5	Very low	117 Å²	117	146.4 Å²	146.4	82%	0.818	79%	0.794	S	S	*	*			trans	-170.4	101.8	150.9	-79.8	0	0	0	0	105.6
118	E	23.1	Very low	24.7	Very low	180 Å²	180	148.9 Å²	148.9	84%	0.841	80%	0.798	S	S	*	*				44.1	104.3	90.1	-77.1	-177.1	176.2	0	0	113.3
119	N	29.9	Very low	24.8	Very low	168 Å²	168	147.9 Å²	147.9	90%	0.898	79%	0.791	S	S	*	*			trans	-164.1	123	133.6	-88.9	-21.2	0	0	0	109.7
120	I	23.9	Very low	24.9	Very low	159 Å²	159	149.3 Å²	149.3	82%	0.815	79%	0.791	S	S	*	*			trans	-77	136.4	167.5	-67	160	0	0	0	106.6
121	E	29.4	Very low	25.2	Very low	191 Å²	191	152.5 Å²	152.5	89%	0.893	79%	0.794	S	S	*	*			trans	-172.4	120.6	138.9	-104.5	167.6	-157.4	0	0	110.8
122	E	23.6	Very low	25.2	Very low	197 Å²	197	150.6 Å²	150.6	92%	0.921	79%	0.792	S	S	*	*			trans	-73.5	137.6	168.4	-63.8	175.2	152.2	0	0	109.2
123	G	30.2	Very low	25.2	Very low	77 Å²	77	148.4 Å²	148.4	79%	0.794	79%	0.79	S	S	*	*			trans	-173.3	94.3	176.9	0	0	0	0	0	112.7
124	M	24	Very low	25.6	Very low	180 Å²	180	144.2 Å²	144.2	89%	0.887	79%	0.789	S	S	*	*			trans	-59.5	132.9	168.9	-61.2	-165.4	174	0	0	111
125	N	28.3	Very low	25.6	Very low	159 Å²	159	146.7 Å²	146.7	85%	0.85	80%	0.797	S	S	*	*				173.7	153.3	116.3	-93.8	-35.1	0	0	0	114.4
126	S	24.6	Very low	25.7	Very low	74 Å²	74	147 Å²	147	52%	0.517	80%	0.799	S	S	.	*			trans	-61.2	161.5	-171.8	65.6	0	0	0	0	117.6
127	R	22.4	Very low	25.8	Very low	213 Å²	213	147.4 Å²	147.4	80%	0.804	80%	0.802	S	S	*	*			trans	71.3	110.1	147.4	-76.5	173.7	-82.2	-169.1	-5.9	116.5
128	Y	27.1	Very low	25.7	Very low	225 Å²	225	144.9 Å²	144.9	88%	0.882	79%	0.794	S	S	*	*				-173.7	147.7	102.1	-113.6	-89.8	0	0	0	110.4
129	S	24.1	Very low	25.9	Very low	77 Å²	77	142.4 Å²	142.4	54%	0.538	80%	0.797	S	S	.	*			trans	-80.6	167.8	-179.3	53.9	0	0	0	0	112.4
130	D	23.6	Very low	25.5	Very low	130 Å²	130	144 Å²	144	70%	0.695	80%	0.796	S	S	*	*			trans	75.4	108.5	154.1	-45.8	-41.9	0	0	0	117.5
131	F	27.6	Very low	25.5	Very low	204 Å²	204	141.9 Å²	141.9	90%	0.895	80%	0.795	S	S	*	*				179.9	149	102.6	-108.8	-89.7	0	0	0	111.8
132	S	21.9	Very low	25.4	Very low	95 Å²	95	143.5 Å²	143.5	66%	0.664	79%	0.793	S	S	*	*			trans	-76.8	170.9	-174.9	55.1	0	0	0	0	114
133	S	24.3	Very low	25.4	Very low	99 Å²	99	141.1 Å²	141.1	69%	0.692	79%	0.786	S	S	*	*			trans	99.2	109.1	157.4	80.6	0	0	0	0	117.3
134	T	28.2	Very low	25.6	Very low	132 Å²	132	146.3 Å²	146.3	81%	0.81	80%	0.795	S	S	*	*				155.5	91.6	113.5	46.5	0	0	0	0	109.8	S136	T134-S136 PolarHBondContact O-N 3.47Å
135	N	23.6	Very low	25.6	Very low	182 Å²	182	148.4 Å²	148.4	97%	0.973	79%	0.793	S	S	*	*			trans	-77.9	104.1	164.5	-91.3	-19.2	0	0	0	107.9
136	S	28.6	Very low	25.4	Very low	114 Å²	114	144.7 Å²	144.7	80%	0.797	78%	0.779	S	S	*	*			trans	-93	144.3	168.4	67.4	0	0	0	0	110.7	T134	T134-S136 PolarHBondContact O-N 3.47Å
137	S	24.4	Very low	25.4	Very low	123 Å²	123	147.2 Å²	147.2	86%	0.86	79%	0.792	S	S	*	*			trans	-70.1	153.5	-175.2	45.4	0	0	0	0	113.2
138	G	26.2	Very low	25.5	Very low	63 Å²	63	141.3 Å²	141.3	65%	0.649	79%	0.788	S	S	*	*			trans	123.8	119.5	138.5	0	0	0	0	0	117.5
139	S	27.3	Very low	25.3	Very low	128 Å²	128	141.3 Å²	141.3	90%	0.895	79%	0.786	S	S	*	*				86.1	95.5	124.4	-44.1	0	0	0	0	117.8
140	K	23.1	Very low	25.3	Very low	201 Å²	201	146 Å²	146	87%	0.874	80%	0.797	S	S	*	*			trans	-67.4	149.5	164.5	-70.7	177.2	174.5	177.1	0	112.9
141	S	23.2	Very low	25.3	Very low	115 Å²	115	149.1 Å²	149.1	80%	0.804	81%	0.805	S	S	*	*			trans	61.7	113.2	146.7	64.5	0	0	0	0	119.6
142	R	26.5	Very low	25.1	Very low	225 Å²	225	148.4 Å²	148.4	85%	0.849	80%	0.801	S	S	*	*			trans	-158.4	116.4	150	-165.9	166.7	-95.7	-172.1	-3.3	113.1
143	L	25.2	Very low	25.2	Very low	147 Å²	147	150.8 Å²	150.8	77%	0.77	81%	0.807	S	S	*	*			trans	38.9	118.9	137.3	-52.1	166.5	0	0	0	118.7
144	L	32.9	Very low	25.3	Very low	187 Å²	187	154.1 Å²	154.1	98%	0.979	81%	0.811	S	S	*	*			trans	-135.5	145.7	140.1	-83.8	178.8	0	0	0	112.5
145	R	24.1	Very low	25.1	Very low	224 Å²	224	159 Å²	159	85%	0.845	82%	0.815	S	S	*	*			trans	-122.2	155	-154.2	-159.6	-164.8	-167.2	158.7	2.6	107.4
146	S	25.6	Very low	25.2	Very low	80 Å²	80	155.8 Å²	155.8	56%	0.559	81%	0.807	S	S	*	*			trans	66.3	115.5	138	59.5	0	0	0	0	120.9
147	T	23.8	Very low	25	Very low	128 Å²	128	153.6 Å²	153.6	79%	0.785	80%	0.802	S	S	*	*				83.6	136.2	115	61.3	0	0	0	0	121.9
148	A	23.4	Very low	25.1	Very low	88 Å²	88	153.6 Å²	153.6	73%	0.727	80%	0.802	S	S	*	*			trans	79	107.7	138.7	0	0	0	0	0	116.5
149	R	23.5	Very low	24.9	Very low	225 Å²	225	162.4 Å²	162.4	85%	0.849	82%	0.816	S	S	*	*				82.9	117.6	74	-89.7	-171.5	179	178.7	2.1	114.2
150	K	23.7	Very low	24.8	Very low	176 Å²	176	165.9 Å²	165.9	77%	0.765	82%	0.815	S	S	*	*			trans	76.6	156.9	136.7	-86.9	-175	173	-177	0	120.2
151	F	25.2	Very low	25	Very low	195 Å²	195	165.1 Å²	165.1	86%	0.855	82%	0.82	S	S	*	*			trans	94.8	108.5	174.7	-61.6	-77.3	0	0	0	113.3
152	K	22.7	Very low	25.2	Very low	189 Å²	189	164.4 Å²	164.4	82%	0.822	82%	0.821	S	S	*	*			cis	69.5	125.1	46	-99	-164.4	-177.8	-171.5	0	115.6
153	N	24.5	Very low	25.1	Very low	145 Å²	145	160.5 Å²	160.5	78%	0.775	82%	0.822	S	S	*	*			trans	86.5	136.5	167.7	-50.5	-13.4	0	0	0	113.4
154	E	26.3	Very low	25	Very low	169 Å²	169	163.3 Å²	163.3	79%	0.79	82%	0.822	S	S	*	*			cis	-158.8	142.6	42.7	-77.5	-176.6	136.8	0	0	110.8
155	R	22.5	Very low	24.5	Very low	234 Å²	234	162.7 Å²	162.7	88%	0.883	81%	0.814	S	S	*	*				42.8	139.7	110	-83.8	175.5	171.8	164.4	-4.1	115.3
156	S	25.9	Very low	24.5	Very low	116 Å²	116	161.1 Å²	161.1	81%	0.811	81%	0.81	S	S	*	*			cis	175.2	153.9	12	42.8	0	0	0	0	107.9
157	G	25.9	Very low	24.6	Very low	68 Å²	68	162.8 Å²	162.8	70%	0.701	82%	0.819	S	S	*	*			trans	150.8	108.7	153.3	0	0	0	0	0	119.2
158	S	25.6	Very low	24.6	Very low	123 Å²	123	163 Å²	163	86%	0.86	82%	0.82	S	S	*	*			trans	59.3	105.7	139.8	-47.5	0	0	0	0	119.5
159	R	22.3	Very low	24.8	Very low	247 Å²	247	164.4 Å²	164.4	93%	0.932	82%	0.824	S	S	*	*			cis	71.3	102.2	49.8	-148.1	-177.9	-160.2	-178.8	5.9	115.1
160	K	24.8	Very low	24.8	Very low	201 Å²	201	161.5 Å²	161.5	87%	0.874	82%	0.82	S	S	*	*			trans	167.5	119.2	135.9	-95.5	174.3	-176.9	-177.4	0	111.4
161	L	28.2	Very low	25	Very low	186 Å²	186	162.5 Å²	162.5	97%	0.974	83%	0.827	S	S	*	*			trans	-172.7	135.5	134.7	-98.8	157.1	0	0	0	108.5
162	A	27.4	Very low	25	Very low	100 Å²	100	161 Å²	161	83%	0.826	83%	0.827	S	S	*	*			trans	-94.4	145.4	-153.7	0	0	0	0	0	113.8
163	T	23.8	Very low	25.3	Very low	142 Å²	142	155.8 Å²	155.8	87%	0.871	83%	0.827	S	S	*	*			trans	-87.2	136.5	165.9	42.9	0	0	0	0	109.9
164	R	23.9	Very low	25.4	Very low	207 Å²	207	155.7 Å²	155.7	78%	0.781	83%	0.827	S	S	*	*			trans	-138.5	119.2	162.2	-172.1	169.2	167.5	132.6	-4.4	109.2	Y166	R164-Y166 PolarHBondContact NH2-OH 2.76Å
165	E	20.7	Very low	25.5	Very low	173 Å²	173	153.6 Å²	153.6	81%	0.808	82%	0.821	S	S	*	*			trans	-73.9	152.3	176.6	-61.9	164.8	156.3	0	0	111.2
166	Y	25.1	Very low	26	Very low	192 Å²	192	149.9 Å²	149.9	75%	0.753	82%	0.819	S	S	*	*			trans	-153.2	152.5	134.1	-83.4	-64.7	0	0	0	111.2	R164	R164-Y166 PolarHBondContact NH2-OH 2.76Å
167	P	27.5	Very low	26	Very low	115 Å²	115	154.6 Å²	154.6	75%	0.747	82%	0.824	S	S	*	*			trans	-103.4	166.3	-158.5	39.9	-35	0	0	0	115.3
168	V	23.8	Very low	26.3	Very low	133 Å²	133	156.6 Å²	156.6	81%	0.806	83%	0.825	S	S	*	*			trans	-72.9	135.9	173.5	173.5	0	0	0	0	111.4
169	S	27.3	Very low	26.3	Very low	117 Å²	117	156.5 Å²	156.5	82%	0.818	82%	0.824	S	S	*	*			trans	-157.4	144.7	154.1	-73.6	0	0	0	0	111.3
170	H	23.9	Very low	26.7	Very low	164 Å²	164	148.6 Å²	148.6	76%	0.759	82%	0.82	S	S	*	*			trans	-61.3	146.5	-167.6	-74.7	-111.9	0	0	0	116.9
171	E	27.7	Very low	26.9	Very low	197 Å²	197	144.1 Å²	144.1	92%	0.921	81%	0.814	S	S	*	*			trans	-135.6	127.7	142.2	-83.2	-170.6	158.6	0	0	110.6
172	L	25.4	Very low	26.8	Very low	162 Å²	162	141.6 Å²	141.6	85%	0.848	80%	0.802	S	S	*	*			trans	-76.3	127.3	172	-87.2	86.8	0	0	0	109.7
173	G	28.5	Very low	26.9	Very low	81 Å²	81	144.6 Å²	144.6	84%	0.835	80%	0.804	S	S	*	*			trans	-127.1	111.7	165.3	0	0	0	0	0	109.5
174	N	26.7	Very low	26.9	Very low	142 Å²	142	145.5 Å²	145.5	76%	0.759	80%	0.803	S	S	*	*			trans	-91	161.1	-173	-136.3	13.2	0	0	0	111.2
175	N	28.8	Very low	27	Very low	125 Å²	125	141.3 Å²	141.3	67%	0.668	80%	0.8	S	S	*	*			trans	87.6	111.1	157.9	-51.3	-21.3	0	0	0	118
176	N	33	Very low	27.2	Very low	157 Å²	157	140.4 Å²	140.4	84%	0.84	80%	0.8	S	S	*	*				-178.4	104.8	105.7	-82.8	-24.2	0	0	0	110.8
177	K	25.8	Very low	27.1	Very low	214 Å²	214	139.1 Å²	139.1	93%	0.93	80%	0.8	S	S	*	*			trans	-87.5	134.2	158.5	-99	-178.3	174.2	-179.6	0	108.3
178	P	31.3	Very low	27.1	Very low	110 Å²	110	140 Å²	140	71%	0.714	80%	0.799	S	S	*	*			trans	-119.3	130.2	149.1	31.4	-18.2	0	0	0	111.6
179	S	26.9	Very low	27.5	Very low	121 Å²	121	140.6 Å²	140.6	85%	0.846	80%	0.797	S	S	*	*			trans	34.2	119.3	141.5	61.1	0	0	0	0	120.6
180	G	29.5	Very low	27.5	Very low	82 Å²	82	143.9 Å²	143.9	85%	0.845	80%	0.8	S	S	*	*			trans	173.6	82.2	160.6	0	0	0	0	0	111.2
181	S	28.9	Very low	27.9	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	81%	0.805	S	S	*	*			trans	-74.8	131.4	178.1	48.7	0	0	0	0	112.5
182	D	27.2	Very low	27.9	Very low	133 Å²	133	143.3 Å²	143.3	71%	0.711	80%	0.803	S	S	*	*			trans	35.1	112.6	131.3	-54.3	-24	0	0	0	119.2
183	N	29.7	Very low	28.2	Very low	163 Å²	163	141.2 Å²	141.2	87%	0.872	80%	0.802	S	S	*	*			trans	-144.7	98.6	134.9	-92.2	-26.1	0	0	0	108.4
184	L	23.3	Very low	28.1	Very low	161 Å²	161	144.8 Å²	144.8	84%	0.843	80%	0.8	S	S	*	*			trans	-79.7	121	161.3	-97.3	98.9	0	0	0	108.5
185	T	26.3	Very low	28.1	Very low	119 Å²	119	145.8 Å²	145.8	73%	0.73	80%	0.804	S	S	*	*			trans	-149.7	120.9	161.3	43.3	0	0	0	0	111.1
186	L	24.3	Very low	28.2	Very low	154 Å²	154	145.8 Å²	145.8	81%	0.806	81%	0.809	S	S	*	*			trans	48	115	149.9	-82.1	98	0	0	0	119.5
187	H	23.4	Very low	28.1	Very low	164 Å²	164	144.5 Å²	144.5	76%	0.759	81%	0.808	S	S	*	*				84.8	136.3	84.5	-109	-71.1	0	0	0	113.8
188	D	27.4	Very low	28.1	Very low	133 Å²	133	142.5 Å²	142.5	71%	0.711	80%	0.804	S	S	*	*			trans	76.1	133.3	170.2	-62.5	-5.8	0	0	0	114.9
189	D	33	Very low	27.8	Very low	146 Å²	146	146.3 Å²	146.3	78%	0.781	81%	0.813	S	S	*	*			cis	-153.1	158.2	20.3	-88.9	-49.1	0	0	0	111
190	Q	27	Very low	27.8	Very low	187 Å²	187	151.1 Å²	151.1	87%	0.874	81%	0.812	S	S	*	*			trans	-77.3	118.4	167.1	-70.7	-177.8	-25.1	0	0	110.2
191	D	31.6	Very low	27.7	Very low	162 Å²	162	152 Å²	152	87%	0.866	81%	0.811	S	S	*	*			trans	-121.3	101.8	159.8	-94.7	-29	0	0	0	109.1
192	E	27.4	Very low	27.6	Very low	187 Å²	187	158.6 Å²	158.6	87%	0.874	82%	0.82	S	S	*	*			trans	-81.4	122	162	-72.7	-168.5	159	0	0	108.8
193	S	32	Very low	27.7	Very low	117 Å²	117	158.5 Å²	158.5	82%	0.818	83%	0.826	S	S	*	*			trans	-130.6	134.4	163.8	62.1	0	0	0	0	111.5
194	I	26.6	Very low	27.3	Very low	156 Å²	156	162.5 Å²	162.5	80%	0.8	83%	0.829	S	S	*	*			trans	-88.4	140.1	-157.6	-70.4	162.9	0	0	0	111.2
195	I	26.6	Very low	27.5	Very low	163 Å²	163	164.9 Å²	164.9	84%	0.836	83%	0.833	S	S	*	*			trans	-81.4	134	174.2	-65.4	167.3	0	0	0	110.5
196	T	30.6	Very low	27.4	Very low	126 Å²	126	164.2 Å²	164.2	77%	0.773	83%	0.833	S	S	*	*			trans	-110.8	159.1	168.9	47.4	0	0	0	0	112.1
197	P	30.9	Very low	27.6	Very low	129 Å²	129	165.8 Å²	165.8	84%	0.838	84%	0.836	S	S	*	*			trans	-105.7	158.7	-131.1	38.4	-35.5	0	0	0	116.2
198	M	26.9	Very low	27.8	Very low	172 Å²	172	170 Å²	170	85%	0.847	85%	0.845	S	S	*	*			trans	-99.9	132.8	-179.8	-165.8	171.9	66.9	0	0	111.3
199	E	24.5	Very low	27.7	Very low	190 Å²	190	171.4 Å²	171.4	89%	0.888	85%	0.852	S	S	*	*			trans	-87.6	125.1	-175.6	-173.6	167.8	-174.4	0	0	111.9
200	R	27.1	Very low	27.3	Very low	223 Å²	223	168.3 Å²	168.3	84%	0.842	85%	0.847	S	S	*	*			trans	-155.8	114.9	168.2	-126.9	178.2	-151.3	153.2	7.9	115.2
201	A	26.8	Very low	27.4	Very low	99 Å²	99	169.6 Å²	169.6	82%	0.818	85%	0.85	S	S	*	*			trans	35.9	122.6	141.2	0	0	0	0	0	121.9
202	R	27.5	Very low	27.1	Very low	247 Å²	247	172.7 Å²	172.7	93%	0.932	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-70.5	148.6	171.1	-69.1	177.3	178.4	175.9	-0.7	113.8
203	P	28.3	Very low	26.9	Very low	130 Å²	130	171.4 Å²	171.4	84%	0.844	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-89.2	143.2	179.8	33.8	-32.2	0	0	0	113.8
204	R	22.1	Very low	26.8	Very low	247 Å²	247	174.8 Å²	174.8	93%	0.932	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-84.5	136.5	162.9	-72.4	175.6	171.8	161.1	-2.5	109.4
205	K	26.6	Very low	26.8	Very low	211 Å²	211	173.9 Å²	173.9	92%	0.917	85%	0.845	S	S	*	*			trans	-149.4	117.3	154	-109.5	-179.2	-177.2	-178.9	0	110.8
206	S	24.5	Very low	26.6	Very low	105 Å²	105	174.9 Å²	174.9	73%	0.734	84%	0.843	S	S	*	*			trans	-72.9	148	162.4	48.5	0	0	0	0	111.3
207	E	27.8	Very low	26.2	Very low	188 Å²	188	173.7 Å²	173.7	88%	0.879	84%	0.84	S	S	*	*			trans	159.6	117.7	140.3	-94.5	174.8	176.2	0	0	110.4
208	R	28.4	Very low	26.1	Very low	251 Å²	251	176.6 Å²	176.6	95%	0.947	84%	0.842	S	S	*	*				175.8	135.2	107.3	-132.7	169.3	-166.5	156.5	4.1	111.6
209	L	25.5	Very low	25.8	Very low	164 Å²	164	177 Å²	177	86%	0.859	84%	0.842	S	S	*	*			trans	-86.8	149.5	-176.1	-83.4	145.4	0	0	0	113.4
210	A	25.1	Very low	25.6	Very low	80 Å²	80	172.1 Å²	172.1	66%	0.661	83%	0.829	S	S	*	*			trans	58.6	117.2	133.3	0	0	0	0	0	121.1
211	F	27.9	Very low	25.4	Very low	214 Å²	214	167.3 Å²	167.3	94%	0.939	83%	0.829	S	S	*	*			trans	-140.7	93.8	146.2	-107	-84.3	0	0	0	112.3
212	R	25.3	Very low	25.2	Very low	227 Å²	227	166.4 Å²	166.4	86%	0.857	82%	0.822	S	S	*	*			trans	37.1	117.2	130.7	-153.9	169.2	-178.6	144	-1.6	121.1
213	N	24.3	Very low	25	Very low	161 Å²	161	162.2 Å²	162.2	86%	0.861	82%	0.817	S	S	*	*			trans	-49.5	141.6	160.9	-63.6	-24.5	0	0	0	115.1
214	K	30.6	Very low	24.9	Very low	188 Å²	188	162 Å²	162	82%	0.817	81%	0.814	S	S	*	*			trans	-134	123.2	161.1	-94.4	-176.3	176.6	179.1	0	110.9
215	L	25.3	Very low	25	Very low	137 Å²	137	155 Å²	155	72%	0.717	80%	0.802	S	S	*	*			trans	59.3	104.1	135.4	-63	161.2	0	0	0	117.7
216	K	22.8	Very low	24.9	Very low	183 Å²	183	150.5 Å²	150.5	80%	0.796	79%	0.792	S	S	*	*				81	97.7	88.5	-88.5	-168.6	177.8	-177.7	0	114.3
217	S	23.1	Very low	24.9	Very low	101 Å²	101	152.5 Å²	152.5	71%	0.706	79%	0.794	S	S	*	*				25	111.3	123.4	63	0	0	0	0	119.3
218	Q	27.4	Very low	24.9	Very low	191 Å²	191	148.6 Å²	148.6	89%	0.893	78%	0.784	S	S	*	*			trans	-125.5	109.8	139.4	-74.5	-174.2	-26.6	0	0	103.7
219	Q	21.6	Very low	24.6	Very low	179 Å²	179	144.7 Å²	144.7	84%	0.836	78%	0.78	S	S	*	*				38.5	125.9	67.9	-97.5	-175.1	-11.7	0	0	110.6
220	S	20.4	Very low	24.7	Very low	89 Å²	89	143.8 Å²	143.8	62%	0.622	77%	0.771	S	S	*	*			cis	164.1	166	7.6	35.2	0	0	0	0	102.8
221	S	22.4	Very low	24.6	Very low	121 Å²	121	151.1 Å²	151.1	85%	0.846	78%	0.781	S	S	*	*			trans	75.6	142.7	171.2	89.2	0	0	0	0	113.1
222	A	21.7	Very low	24.4	Very low	81 Å²	81	148.1 Å²	148.1	67%	0.669	77%	0.771	S	S	*	*			cis	-167.2	171.1	1.7	0	0	0	0	0	106.2
223	L	24.7	Very low	24.4	Very low	159 Å²	159	147 Å²	147	83%	0.832	78%	0.775	S	S	*	*			trans	114.2	97.4	151	-58.6	165	0	0	0	115.9
224	V	25	Very low	24.4	Very low	126 Å²	126	144.2 Å²	144.2	76%	0.764	76%	0.764	S	S	*	*				74.2	94.9	125.6	-171.8	0	0	0	0	116.5
225	S	24.7	Very low	24.2	Very low	98 Å²	98	140.3 Å²	140.3	69%	0.685	76%	0.76	S	S	*	*			trans	-69.4	156.7	149.8	57.2	0	0	0	0	112.7
226	V	24.8	Very low	24.5	Very low	118 Å²	118	139.4 Å²	139.4	72%	0.715	76%	0.762	S	S	*	*			trans	84.4	116	154.3	-163.4	0	0	0	0	116.4
227	N	25.1	Very low	24.8	Very low	146 Å²	146	140.5 Å²	140.5	78%	0.781	76%	0.763	S	S	*	*			trans	137.3	122	158.6	-73	-14.5	0	0	0	106.9
228	T	26.9	Very low	25.1	Very low	106 Å²	106	143.5 Å²	143.5	65%	0.65	77%	0.771	S	S	*	*			cis	-163.8	134.3	16.7	-29.8	0	0	0	0	106.5	H230	T228-H230 PolarHBondContact O-N 3.41Å
229	I	21.9	Very low	24.9	Very low	170 Å²	170	139.1 Å²	139.1	87%	0.872	76%	0.761	S	S	*	*			trans	-68.7	99	161.6	-65.6	165.6	0	0	0	105.9
230	H	26.7	Very low	25.2	Very low	145 Å²	145	139.3 Å²	139.3	67%	0.671	77%	0.767	S	S	*	*			trans	-110.2	102.6	165.1	-104.3	-63.9	0	0	0	109.3	T228 Q232	T228-H230 PolarHBondContact O-N 3.41Å; H230-Q232 PolarHBondContact O-N 3.14Å
231	R	23	Very low	25.5	Very low	233 Å²	233	140.5 Å²	140.5	88%	0.879	77%	0.77	S	S	*	*			trans	-47	126	146.9	-79.9	173.4	164.8	136	-4.9	108.5
232	Q	24.9	Very low	25.7	Very low	152 Å²	152	140.1 Å²	140.1	71%	0.71	77%	0.768	S	S	*	*			trans	-165.9	85.6	153	-108.6	166.4	4.1	0	0	109.1	H230 T234	H230-Q232 PolarHBondContact O-N 3.14Å; Q232-T234 HydrophobicContact CG-CG2 4.3Å
233	E	23.9	Very low	25.9	Very low	202 Å²	202	140.9 Å²	140.9	94%	0.944	76%	0.764	S	S	*	*			trans	-85.4	104.6	143.3	-77	-177.9	167.6	0	0	105.9
234	T	26.3	Very low	25.9	Very low	104 Å²	104	143.2 Å²	143.2	64%	0.638	77%	0.768	S	S	*	*			trans	-143.2	129.7	171.2	47.5	0	0	0	0	110	Q232	Q232-T234 HydrophobicContact CG-CG2 4.3Å
235	S	26.5	Very low	25.9	Very low	105 Å²	105	142.4 Å²	142.4	73%	0.734	76%	0.763	S	S	*	*			trans	91.2	122.5	170.4	78.2	0	0	0	0	118.3
236	P	30.6	Very low	25.9	Very low	118 Å²	118	148.5 Å²	148.5	77%	0.766	77%	0.773	S	S	*	*			trans	-98.7	151.1	175	37.9	-30.2	0	0	0	111.4
237	Y	29.8	Very low	26	Very low	206 Å²	206	147.1 Å²	147.1	81%	0.808	77%	0.766	S	S	*	*			trans	-132.8	128	162.7	-85.7	-81.3	0	0	0	110
238	L	28.2	Very low	26.1	Very low	165 Å²	165	147.4 Å²	147.4	86%	0.864	77%	0.768	S	S	*	*			trans	76.5	73.9	153.3	-57.7	166.3	0	0	0	116.9
239	S	24	Very low	26.2	Very low	99 Å²	99	152.3 Å²	152.3	69%	0.692	78%	0.78	S	S	*	*			trans	-84.7	118.8	141.7	57.3	0	0	0	0	109.7
240	L	27.7	Very low	26.5	Very low	182 Å²	182	148.8 Å²	148.8	95%	0.953	77%	0.768	S	S	*	*			trans	-84.8	96	147.4	-91.3	157.9	0	0	0	105.8
241	T	27.3	Very low	26.4	Very low	114 Å²	114	150.4 Å²	150.4	70%	0.699	78%	0.776	S	S	*	*			trans	-88.3	134.2	166.7	43.3	0	0	0	0	109.4
242	S	25.9	Very low	26.7	Very low	113 Å²	113	144.9 Å²	144.9	79%	0.79	77%	0.773	S	S	*	*			trans	-134.5	87.6	150	168.1	0	0	0	0	107.6
243	T	26.2	Very low	26.7	Very low	97 Å²	97	144 Å²	144	60%	0.595	78%	0.779	S	S	*	*			trans	31.3	109.3	133.7	-34.1	0	0	0	0	117.2
244	F	25.3	Very low	26.9	Very low	208 Å²	208	141.3 Å²	141.3	91%	0.912	78%	0.775	S	S	*	*				-153.5	123.9	116	-97.4	-73.8	0	0	0	109.4
245	V	23.2	Very low	26.8	Very low	110 Å²	110	140.1 Å²	140.1	67%	0.667	78%	0.776	S	S	*	*			trans	-110.4	133.6	-172.2	167.8	0	0	0	0	107.4
246	Y	26.4	Very low	26.7	Very low	225 Å²	225	140.3 Å²	140.3	88%	0.882	78%	0.777	S	S	*	*			trans	-134.5	145.9	146.6	-93.8	-83.5	0	0	0	110.2
247	P	26.4	Very low	26.5	Very low	89 Å²	89	143.7 Å²	143.7	58%	0.578	79%	0.786	S	S	*	*			trans	-114.1	153.4	-150.1	38.8	-26.7	0	0	0	114.8
248	N	26.4	Very low	26.2	Very low	153 Å²	153	141 Å²	141	82%	0.818	78%	0.784	S	S	*	*			trans	46.4	122.2	137.5	-62.2	-18.7	0	0	0	119.9
249	K	29.4	Very low	26	Very low	208 Å²	208	142 Å²	142	90%	0.904	79%	0.786	S	S	*	*				-160.1	151.8	101.8	-106.6	176.2	-175.7	-178	0	114.4
250	P	27.8	Very low	26.1	Very low	97 Å²	97	141.5 Å²	141.5	63%	0.63	78%	0.782	S	S	*	*			trans	-114.1	-175.7	-173.9	44.6	-32.2	0	0	0	112.9
251	Q	25.6	Very low	25.9	Very low	178 Å²	178	138.1 Å²	138.1	83%	0.832	77%	0.774	S	S	*	*			trans	70.4	116.9	155	-67.1	169.3	-6	0	0	118.7
252	S	28.8	Very low	25.9	Very low	117 Å²	117	142.7 Å²	142.7	82%	0.818	78%	0.784	S	S	*	*				160.9	141.5	101.7	56.9	0	0	0	0	111.5
253	T	24.2	Very low	25.8	Very low	135 Å²	135	142 Å²	142	83%	0.828	79%	0.786	S	S	*	*			trans	-75.4	117	176.9	45	0	0	0	0	111.5
254	V	29.9	Very low	25.7	Very low	144 Å²	144	145.5 Å²	145.5	87%	0.873	80%	0.8	S	S	*	*			trans	-149.4	143.8	151.6	-169	0	0	0	0	109.4
255	A	24.1	Very low	25.7	Very low	80 Å²	80	144.5 Å²	144.5	66%	0.661	80%	0.798	S	S	*	*			trans	-63.2	158.9	-168	0	0	0	0	0	117.3
256	S	24.6	Very low	25.8	Very low	108 Å²	108	148.7 Å²	148.7	76%	0.755	81%	0.813	S	S	*	*			trans	44.7	100.3	140.7	64.2	0	0	0	0	118.2
257	M	24.5	Very low	25.7	Very low	190 Å²	190	143 Å²	143	94%	0.936	81%	0.806	S	S	*	*			trans	-146.2	113.4	131.1	-123.3	173.1	-168	0	0	110.3	M259	M257-M259 PolarHBondContact O-N 3.32Å
258	I	24.6	Very low	25.6	Very low	150 Å²	150	144.4 Å²	144.4	77%	0.769	82%	0.817	S	S	*	*			trans	-49.3	126.1	165.4	-65	156.2	0	0	0	108.7
259	M	23.7	Very low	25.6	Very low	185 Å²	185	146.3 Å²	146.3	91%	0.911	82%	0.822	S	S	*	*			trans	-135.3	94.5	145.9	-76.6	-145.5	161.1	0	0	109.1	M257	M257-M259 PolarHBondContact O-N 3.32Å
260	S	25.9	Very low	25.3	Very low	88 Å²	88	142.7 Å²	142.7	62%	0.615	82%	0.816	S	S	*	*			trans	-65.9	142.1	152.3	58.2	0	0	0	0	109.5	K262	S260-K262 PolarHBondContact O-N 3.44Å
261	S	24.7	Very low	25.1	Very low	111 Å²	111	148.5 Å²	148.5	78%	0.776	83%	0.827	S	S	*	*			trans	30.4	84.9	147.5	62.1	0	0	0	0	117.7
262	K	25.8	Very low	25	Very low	210 Å²	210	144.9 Å²	144.9	91%	0.913	82%	0.822	S	S	*	*			trans	-134.3	58.1	149.4	-99.4	-174.7	178.4	178.9	0	110	S260	S260-K262 PolarHBondContact O-N 3.44Å
263	A	24.3	Very low	24.9	Very low	100 Å²	100	147.6 Å²	147.6	83%	0.826	83%	0.827	S	S	*	*	S	Bend	trans	-118.3	11.8	168.2	0	0	0	0	0	112.6
264	L	24.4	Very low	24.8	Very low	169 Å²	169	147.9 Å²	147.9	89%	0.885	83%	0.828	S	S	*	*	S	Bend	trans	-135	75.9	174.4	-89	161.2	0	0	0	109
265	Q	25.8	Very low	24.5	Very low	187 Å²	187	143.8 Å²	143.8	87%	0.874	82%	0.815	S	S	*	*			trans	170.2	72.6	150.4	-97.3	175.1	-2	0	0	109.7
266	M	23.9	Very low	24.7	Very low	199 Å²	199	148.1 Å²	148.1	98%	0.98	83%	0.827	S	S	*	*			trans	-142.6	73.3	154.9	-72	-167.9	77.3	0	0	108.1
267	S	24.4	Very low	24.6	Very low	106 Å²	106	147.7 Å²	147.7	74%	0.741	82%	0.824	S	S	*	*			trans	-129.7	127.4	158	60.8	0	0	0	0	107.9
268	S	24.1	Very low	24.6	Very low	117 Å²	117	144.2 Å²	144.2	82%	0.818	81%	0.813	S	S	*	*			trans	77.1	77.9	168.6	81.3	0	0	0	0	118.7
269	Q	26.6	Very low	24.9	Very low	194 Å²	194	142.9 Å²	142.9	91%	0.907	81%	0.812	S	S	*	*			trans	-104.5	108.1	130.1	-85.8	-178	-18.4	0	0	108.6
270	V	24.3	Very low	25.1	Very low	131 Å²	131	139.9 Å²	139.9	79%	0.794	81%	0.805	S	S	*	*			trans	33.2	112.4	138.1	-171.2	0	0	0	0	118
271	Y	22.7	Very low	25.2	Very low	219 Å²	219	143.7 Å²	143.7	86%	0.859	82%	0.818	S	S	*	*			trans	-1.6	150.8	142.3	-87.4	-93.6	0	0	0	120.1
272	S	23	Very low	25.6	Very low	102 Å²	102	144.8 Å²	144.8	71%	0.713	82%	0.821	S	S	*	*			trans	90.2	87.6	162.3	74.5	0	0	0	0	115.8
273	N	26.5	Very low	25.7	Very low	174 Å²	174	142.2 Å²	142.2	93%	0.93	82%	0.817	S	S	*	*			trans	-134.1	113.6	130.6	-94.8	-25.3	0	0	0	108.9
274	V	23.3	Very low	25.9	Very low	141 Å²	141	142.8 Å²	142.8	86%	0.855	81%	0.812	S	S	*	*			trans	-65.2	139.3	172.3	169	0	0	0	0	108.9
275	G	23.4	Very low	25.8	Very low	58 Å²	58	146.7 Å²	146.7	60%	0.598	82%	0.815	S	S	*	*			trans	84.3	102.1	154.8	0	0	0	0	0	115.5
276	N	28.7	Very low	25.7	Very low	172 Å²	172	146.6 Å²	146.6	92%	0.92	82%	0.817	S	S	*	*				-155.3	125.3	126.4	-93.5	-25.3	0	0	0	110.9
277	S	23	Very low	25.8	Very low	98 Å²	98	146.9 Å²	146.9	69%	0.685	81%	0.813	S	S	*	*			trans	-78	163.7	179.5	49.5	0	0	0	0	112.9
278	V	24.8	Very low	25.9	Very low	117 Å²	117	153.3 Å²	153.3	71%	0.709	82%	0.821	S	S	*	*			trans	79	108.8	159.8	-159	0	0	0	0	114
279	T	30.2	Very low	25.9	Very low	122 Å²	122	155.9 Å²	155.9	75%	0.748	82%	0.824	S	S	*	*				-171	102.4	91.3	34.9	0	0	0	0	108.2
280	T	26.7	Very low	25.8	Very low	122 Å²	122	152.1 Å²	152.1	75%	0.748	82%	0.819	S	S	*	*				35.6	95.5	104	62.4	0	0	0	0	116.1
281	N	29.4	Very low	25.9	Very low	168 Å²	168	151.2 Å²	151.2	90%	0.898	82%	0.818	S	S	*	*			trans	-149.9	74.4	147.4	-147.8	1.6	0	0	0	109.8
282	T	32.7	Very low	26	Very low	135 Å²	135	147.8 Å²	147.8	83%	0.828	81%	0.813	S	S	*	*			trans	-91.8	124.7	177.3	42.8	0	0	0	0	110.3
283	N	28.6	Very low	26.1	Very low	155 Å²	155	155 Å²	155	83%	0.829	83%	0.825	S	S	*	*			trans	-60	143.2	-174.8	-126.4	-20.3	0	0	0	112.5	W285	N283-W285 PolarHBondContact O-N 3.02Å
284	P	27.3	Very low	25.9	Very low	113 Å²	113	149.9 Å²	149.9	73%	0.734	81%	0.814	S	S	*	*	S	Bend	trans	-92.2	87.1	-168	35.6	-29.4	0	0	0	111.4
285	W	22.5	Very low	25.9	Very low	250 Å²	250	155.2 Å²	155.2	95%	0.947	82%	0.818	S	S	*	*			trans	-138.7	19.4	167.6	-141	62	0	0	0	114.4	N283	N283-W285 PolarHBondContact O-N 3.02Å
286	M	23.6	Very low	25.9	Very low	185 Å²	185	157.3 Å²	157.3	91%	0.911	82%	0.824	S	S	*	*	S	Bend	trans	-123.7	21.3	-178.2	-86.3	-91.7	-88.2	0	0	114.1
287	K	26.7	Very low	25.7	Very low	206 Å²	206	153.4 Å²	153.4	90%	0.896	81%	0.81	S	S	*	*	S	Bend	trans	-115.6	21.8	-175.6	-102.2	-169.9	-178.8	-177.5	0	116.6
288	R	25.6	Very low	25.8	Very low	241 Å²	241	153.3 Å²	153.3	91%	0.909	81%	0.809	S	S	*	*	S	Bend	trans	-121.2	5.3	-176.3	-125.6	-179	-155.1	173.8	6.5	118.7
289	I	24.4	Very low	25.8	Very low	171 Å²	171	154.4 Å²	154.4	88%	0.877	81%	0.811	S	S	*	*	S	Bend	trans	-123	-1	-174.9	-61.1	-176.7	0	0	0	115.2
290	S	23.9	Very low	25.6	Very low	115 Å²	115	155.9 Å²	155.9	80%	0.804	81%	0.814	S	S	*	*	S	Bend	trans	-121.9	69.5	177.4	54.4	0	0	0	0	113.3
291	S	26.4	Very low	25.3	Very low	112 Å²	112	158.9 Å²	158.9	78%	0.783	83%	0.825	S	S	*	*			trans	-151.9	41.3	167.6	74.5	0	0	0	0	114
292	I	26	Very low	25.1	Very low	147 Å²	147	156 Å²	156	75%	0.754	82%	0.818	S	S	*	*	S	Bend	trans	-142.9	129.6	164.6	-51.2	178.5	0	0	0	105.3
293	W	25.4	Very low	24.6	Very low	253 Å²	253	154.1 Å²	154.1	96%	0.958	82%	0.816	S	S	*	*			trans	87.3	61.8	-172.6	-52.1	92.3	0	0	0	115.8
294	G	21.6	Very low	24.5	Very low	67 Å²	67	154.2 Å²	154.2	69%	0.691	82%	0.815	S	S	*	*			trans	-111	154	147.1	0	0	0	0	0	109.6
295	R	23.4	Very low	24.4	Very low	252 Å²	252	153.3 Å²	153.3	95%	0.951	81%	0.811	S	S	*	*			trans	95.4	133.5	-173.9	-60.8	176	171.8	-168.2	-3.7	111.9
296	S	24.1	Very low	24.4	Very low	102 Å²	102	146 Å²	146	71%	0.713	80%	0.799	S	S	*	*			cis	-165.4	146.4	24.4	-169.7	0	0	0	0	110.8
297	S	24.5	Very low	24.4	Very low	91 Å²	91	143.6 Å²	143.6	64%	0.636	79%	0.789	S	S	*	*			trans	41.1	108.8	139.6	72.5	0	0	0	0	118.4
298	S	24.8	Very low	24.6	Very low	95 Å²	95	141 Å²	141	66%	0.664	79%	0.785	S	S	*	*				65.7	124.3	87.7	76.9	0	0	0	0	115.9
299	N	23.2	Very low	24.6	Very low	140 Å²	140	136.3 Å²	136.3	75%	0.749	78%	0.778	S	S	*	*			trans	70.9	110.1	150	-58.2	-9	0	0	0	117.8
300	N	26	Very low	24.4	Very low	153 Å²	153	134.9 Å²	134.9	82%	0.818	77%	0.771	S	S	*	*				-178.8	113.3	105.3	-88.3	-22.2	0	0	0	110.4
301	L	20.7	Very low	24.5	Very low	186 Å²	186	136.9 Å²	136.9	97%	0.974	77%	0.773	S	S	*	*			trans	-71.4	117	153.8	-89	134.6	0	0	0	107.1
302	S	25.2	Very low	24.2	Very low	108 Å²	108	140.3 Å²	140.3	76%	0.755	77%	0.774	S	S	*	*			trans	-148.9	118.6	160.9	55.6	0	0	0	0	109.7
303	A	22.7	Very low	24.2	Very low	94 Å²	94	140 Å²	140	78%	0.777	77%	0.774	S	S	*	*			trans	-52.1	148	174.4	0	0	0	0	0	113.6
304	I	26.7	Very low	24.1	Very low	157 Å²	157	132.7 Å²	132.7	81%	0.805	76%	0.762	S	S	*	*			trans	-157	100.8	144.3	-84.2	130.2	0	0	0	105
305	S	24.3	Very low	24.3	Very low	95 Å²	95	136.6 Å²	136.6	66%	0.664	77%	0.772	S	S	*	*				63.8	100.5	109.6	108.8	0	0	0	0	113.4
306	S	22.8	Very low	24.3	Very low	97 Å²	97	133.4 Å²	133.4	68%	0.678	77%	0.768	S	S	*	*				56	128.8	82.2	69.7	0	0	0	0	114.4
307	N	25	Very low	24.1	Very low	134 Å²	134	132.9 Å²	132.9	72%	0.717	76%	0.764	S	S	*	*			trans	94.6	96.3	170.9	-56.9	-9.7	0	0	0	115.1
308	D	30.1	Very low	24	Very low	152 Å²	152	137.6 Å²	137.6	81%	0.813	78%	0.776	S	S	*	*				-161.4	97	106.4	-89.7	-23.2	0	0	0	111.1
309	N	24.6	Very low	23.8	Very low	141 Å²	141	141.1 Å²	141.1	75%	0.754	78%	0.784	S	S	*	*			trans	33.2	100.7	131.8	-63.8	-23.8	0	0	0	118.7
310	L	21.7	Very low	23.9	Very low	141 Å²	141	140.1 Å²	140.1	74%	0.738	78%	0.783	S	S	*	*			trans	-34.4	127.5	135.8	-68	150.9	0	0	0	112.1	F312	L310-F312 HydrophobicContact CD2-CD2 3.94Å; L310-F312 HydrophobicContact CD2-CE2 4.15Å
311	N	24.8	Very low	23.9	Very low	157 Å²	157	139.6 Å²	139.6	84%	0.84	78%	0.775	S	S	*	*			trans	-133.9	96.4	145.2	-109	0.2	0	0	0	108
312	F	21	Very low	24.3	Very low	185 Å²	185	141.3 Å²	141.3	81%	0.811	77%	0.769	S	S	*	*			trans	-87.1	111.6	164.4	-100.4	-96.1	0	0	0	106.6	L310	L310-F312 HydrophobicContact CD2-CD2 3.94Å; L310-F312 HydrophobicContact CD2-CE2 4.15Å
313	D	26.3	Very low	24.3	Very low	140 Å²	140	146.2 Å²	146.2	75%	0.749	77%	0.771	S	S	*	*			trans	-125.1	113.7	165.1	-95	-31.8	0	0	0	110.9
314	S	22.9	Very low	24.7	Very low	100 Å²	100	147.4 Å²	147.4	70%	0.699	77%	0.771	S	S	*	*			trans	41.4	105.2	144.7	66.3	0	0	0	0	118.7
315	T	26.2	Very low	25.1	Very low	149 Å²	149	151.8 Å²	151.8	91%	0.914	78%	0.777	S	S	*	*				-152.7	127.1	115.3	31	0	0	0	0	110.1
316	Q	22.5	Very low	25.6	Very low	185 Å²	185	149.5 Å²	149.5	86%	0.864	77%	0.769	S	S	*	*			trans	-69	137.2	-175.1	-75.4	169.7	-26.8	0	0	112.1
317	S	19.9	Very low	26.4	Very low	90 Å²	90	154.5 Å²	154.5	63%	0.629	77%	0.773	S	S	*	*			trans	28.8	107.6	137.4	64.7	0	0	0	0	118.4
318	H	23.3	Very low	26.7	Very low	190 Å²	190	153.8 Å²	153.8	88%	0.88	77%	0.769	S	S	*	*				-138.8	99.6	123	-98.4	-76.2	0	0	0	108.8	V320	H318-V320 PolarHBondContact O-N 3.39Å; H318-V320 VanDerWaalsContact O-N 3.09Å
319	M	20.8	Very low	27	Very low	170 Å²	170	149.8 Å²	149.8	84%	0.837	76%	0.757	S	S	*	*			trans	-64.5	100.5	169.4	-69.5	-169.6	176.7	0	0	109.1
320	V	24.8	Very low	27.6	Very low	118 Å²	118	152.7 Å²	152.7	72%	0.715	76%	0.757	S	S	*	*			trans	-99.9	93.9	156.3	179.8	0	0	0	0	106.5	H318 R322	H318-V320 PolarHBondContact O-N 3.39Å; H318-V320 VanDerWaalsContact O-N 3.09Å; V320-R322 VanDerWaalsContact C-N 3.29Å; V320-R322 HydrophobicContact CG1-CG 4.44Å; V320-R322 PolarHBondContact O-N 2.96Å
321	Q	26	Very low	28.2	Very low	142 Å²	142	153.4 Å²	153.4	66%	0.664	76%	0.756	S	S	*	*			trans	-59.5	90.7	169.9	-72.8	-140	-11.8	0	0	109.9	R323	Q321-R323 VanDerWaalsContact C-N 3.32Å; Q321-R323 PolarHBondContact O-N 2.71Å; Q321-R323 VanDerWaalsContact O-N 3.1Å
322	R	28	Very low	28.6	Very low	223 Å²	223	152.2 Å²	152.2	84%	0.842	75%	0.747	S	S	*	*			trans	-76.6	89.7	161.2	-70.6	-171.8	178.4	-170.7	0.4	107.4	V320 P324	V320-R322 VanDerWaalsContact C-N 3.29Å; V320-R322 HydrophobicContact CG1-CG 4.44Å; V320-R322 PolarHBondContact O-N 2.96Å; R322-P324 WeakPolarHBondContact O-CD 3.35Å
323	R	26.8	Very low	29.5	Very low	211 Å²	211	150.3 Å²	150.3	80%	0.796	74%	0.739	S	S	*	*			trans	-71.4	110.4	164	-73.5	-177.1	177.3	-175.2	-2.6	108.2	Q321	Q321-R323 VanDerWaalsContact C-N 3.32Å; Q321-R323 PolarHBondContact O-N 2.71Å; Q321-R323 VanDerWaalsContact O-N 3.1Å
324	P	30.8	Very low	29.7	Very low	119 Å²	119	146.8 Å²	146.8	77%	0.773	74%	0.735	S	S	*	*			trans	-103.9	80.5	175.3	30.6	-10.8	0	0	0	107.1	R322	R322-P324 WeakPolarHBondContact O-CD 3.35Å
325	R	33.5	Very low	30.2	Very low	248 Å²	248	149 Å²	149	94%	0.936	74%	0.739	S	S	*	*			trans	-138.5	112.5	175.1	-74.3	-171.2	172.6	173.3	-2.5	109
326	G	36.2	Very low	30.6	Very low	48 Å²	48	150.4 Å²	150.4	50%	0.495	74%	0.735	S	S	.	*	S	Bend	trans	135.9	-15	161.9	0	0	0	0	0	117.3
327	W	38.4	Very low	31	Very low	201 Å²	201	152.2 Å²	152.2	76%	0.761	73%	0.734	S	S	*	*	H	α-helix	trans	-72	-41	-173.9	179.4	61.4	0	0	0	113.6
328	L	32.7	Very low	31.5	Very low	120 Å²	120	155.1 Å²	155.1	63%	0.628	74%	0.742	S	S	*	*	H	α-helix	trans	-71.8	-35.6	-177.2	-136.3	86.3	0	0	0	113.1	R330 H331	L328-R330 VanDerWaalsContact C-N 3.34Å; L328-R330 PolarHBondContact O-N 3.27Å; L328-H331 PolarHBondContact O-N 3.23Å
329	A	36.3	Very low	32	Very low	68 Å²	68	152.3 Å²	152.3	56%	0.562	74%	0.739	S	S	*	*	H	α-helix	trans	-70.3	-29.5	-178.8	0	0	0	0	0	112.9
330	R	37.1	Very low	32.6	Very low	201 Å²	201	150.4 Å²	150.4	76%	0.758	74%	0.737	S	S	*	*	H	α-helix	trans	-68	-33.4	177.7	-97.8	179.7	163.6	-177.4	-6.7	113.3	L328	L328-R330 VanDerWaalsContact C-N 3.34Å; L328-R330 PolarHBondContact O-N 3.27Å
331	H	34.4	Very low	32.9	Very low	157 Å²	157	153.5 Å²	153.5	73%	0.727	74%	0.744	S	S	*	*	H	α-helix	trans	-85.6	-27.6	-176.1	-107	-64.3	0	0	0	114.3	L328	L328-H331 PolarHBondContact O-N 3.23Å
332	M	32.7	Very low	33.1	Very low	131 Å²	131	154.1 Å²	154.1	65%	0.645	75%	0.752	S	S	*	*	H	α-helix	trans	-85.4	-32.7	-175.4	-79.2	-175.9	61.3	0	0	114.3
333	F	39.5	Very low	33.3	Very low	145 Å²	145	149 Å²	149	64%	0.636	75%	0.747	S	S	*	*	H	α-helix	trans	-122.9	-1.5	-169.7	-67.6	-68	0	0	0	116	L335	F333-L335 HydrophobicContact CB-CD1 4.15Å; F333-L335 HydrophobicContact CB-CG 4.17Å; F333-L335 PolarHBondContact O-N 2.03Å
334	G	31.4	Very low	33.4	Very low	66 Å²	66	146.2 Å²	146.2	68%	0.68	75%	0.748	S	S	*	*			trans	54.2	25.6	172.7	0	0	0	0	0	114.6	E336	G334-E336 PolarHBondContact O-N 2.99Å; G334-E336 VanDerWaalsContact O-N 3.11Å
335	L	33	Very low	33.3	Very low	147 Å²	147	150 Å²	150	77%	0.77	75%	0.753	S	S	*	*			trans	-81.3	91.2	179.5	-67.9	170.5	0	0	0	108.4	F333	F333-L335 HydrophobicContact CB-CD1 4.15Å; F333-L335 HydrophobicContact CB-CG 4.17Å; F333-L335 PolarHBondContact O-N 2.03Å
336	E	34.5	Very low	33.1	Very low	178 Å²	178	146.8 Å²	146.8	83%	0.832	75%	0.748	S	S	*	*			trans	-63.3	134.3	163.3	-156.9	91.2	-134.2	0	0	108.2	G334	G334-E336 PolarHBondContact O-N 2.99Å; G334-E336 VanDerWaalsContact O-N 3.11Å
337	R	30.6	Very low	32.6	Very low	223 Å²	223	149.8 Å²	149.8	84%	0.842	76%	0.761	S	S	*	*			trans	-79.6	129.2	177.1	-172.1	-176	-103.9	125.7	-7	107.9	T339	R337-T339 PolarHBondContact O-N 2.97Å
338	D	31.3	Very low	32.2	Very low	151 Å²	151	151.3 Å²	151.3	81%	0.807	77%	0.767	S	S	*	*			trans	-52.2	107.9	171.5	-68.8	-43	0	0	0	109.9	T340	D338-T340 PolarHBondContact O-N 2.9Å; D338-T340 VanDerWaalsContact O-N 3.15Å
339	T	34	Very low	31.9	Very low	132 Å²	132	153 Å²	153	81%	0.81	78%	0.777	S	S	*	*			trans	-79.3	96.1	173.7	50.6	0	0	0	0	107.9	R337 E341	R337-T339 PolarHBondContact O-N 2.97Å; T339-E341 PolarHBondContact O-N 3.41Å
340	T	32.8	Very low	31.7	Very low	130 Å²	130	156.8 Å²	156.8	80%	0.798	79%	0.786	S	S	*	*			trans	-59.7	124.8	158.2	47.3	0	0	0	0	108.5	D338 D342	D338-T340 PolarHBondContact O-N 2.9Å; D338-T340 VanDerWaalsContact O-N 3.15Å; T340-D342 PolarHBondContact O-N 3.47Å
341	E	30.5	Very low	31.2	Very low	183 Å²	183	153.9 Å²	153.9	86%	0.855	79%	0.786	S	S	*	*			trans	-57.2	111.5	-177.1	-61.3	169	161.7	0	0	111.6	T339	T339-E341 PolarHBondContact O-N 3.41Å
342	D	30.7	Very low	31	Very low	155 Å²	155	153.6 Å²	153.6	83%	0.829	79%	0.789	S	S	*	*			trans	-95	112.1	155.6	-97.7	-30	0	0	0	107	T340 N344	T340-D342 PolarHBondContact O-N 3.47Å; D342-N344 PolarHBondContact O-N 2.98Å
343	P	31.1	Very low	30.6	Very low	116 Å²	116	156 Å²	156	75%	0.753	80%	0.799	S	S	*	*			trans	-79.6	22	-167	30.9	-34.8	0	0	0	115
344	N	30.4	Very low	30	Very low	151 Å²	151	158.7 Å²	158.7	81%	0.807	81%	0.811	S	S	*	*			trans	-131.5	68	-176.8	-74.6	-31.8	0	0	0	112	D342	D342-N344 PolarHBondContact O-N 2.98Å
345	F	28.4	Very low	29.7	Very low	200 Å²	200	163.8 Å²	163.8	88%	0.877	82%	0.819	S	S	*	*			trans	-149	104.6	155.6	-145	-101	0	0	0	112.2
346	E	28.1	Very low	29.6	Very low	179 Å²	179	160.7 Å²	160.7	84%	0.836	81%	0.81	S	S	*	*			trans	-64.6	144.8	174.5	-72.4	177.2	145.9	0	0	112.4
347	S	26.4	Very low	29.2	Very low	111 Å²	111	157.7 Å²	157.7	78%	0.776	81%	0.809	S	S	*	*			trans	-22	123	170.5	58.2	0	0	0	0	117.8
348	R	30.5	Very low	29.2	Very low	233 Å²	233	153.4 Å²	153.4	88%	0.879	80%	0.803	S	S	*	*			trans	-137	105.8	141.1	-77.1	-168.3	177.7	171.7	0.1	110	I350	R348-I350 PolarHBondContact O-N 3.37Å
349	N	26.2	Very low	29.1	Very low	157 Å²	157	152.5 Å²	152.5	84%	0.84	80%	0.796	S	S	*	*			trans	-50.1	120.1	165.7	-82.7	-26.7	0	0	0	110.6
350	I	31.5	Very low	29.2	Very low	147 Å²	147	154.9 Å²	154.9	75%	0.754	80%	0.798	S	S	*	*			trans	-132.8	111.2	155.4	-60.1	179.5	0	0	0	106.7	R348 N352	R348-I350 PolarHBondContact O-N 3.37Å; I350-N352 PolarHBondContact O-N 3.48Å
351	D	27.2	Very low	29	Very low	139 Å²	139	154.9 Å²	154.9	74%	0.743	79%	0.793	S	S	*	*			trans	-60.1	110	177.3	-59.9	-54.1	0	0	0	111.1
352	N	30.5	Very low	29	Very low	151 Å²	151	152.5 Å²	152.5	81%	0.807	79%	0.786	S	S	*	*			trans	-103.4	96.4	161.7	-80.6	-22.8	0	0	0	108.6	I350 F354	I350-N352 PolarHBondContact O-N 3.48Å; N352-F354 PolarHBondContact O-N 2.94Å; N352-F354 VanDerWaalsContact O-N 3.14Å
353	Q	24.7	Very low	28.9	Very low	182 Å²	182	155 Å²	155	85%	0.85	79%	0.786	S	S	*	*			trans	-63	101	168.2	-73.6	171.1	-20.6	0	0	110.2
354	F	25.6	Very low	28.9	Very low	202 Å²	202	156 Å²	156	89%	0.886	79%	0.785	S	S	*	*			trans	-123.2	102.7	150.6	-94.4	-84.9	0	0	0	107.1	N352 S356	N352-F354 PolarHBondContact O-N 2.94Å; N352-F354 VanDerWaalsContact O-N 3.14Å; F354-S356 PolarHBondContact O-N 3.47Å
355	M	25.3	Very low	29	Very low	172 Å²	172	153.4 Å²	153.4	85%	0.847	78%	0.784	S	S	*	*			trans	-65.6	117.1	177.8	-78.6	-127.4	69.9	0	0	110
356	S	30.7	Very low	28.9	Very low	83 Å²	83	151.8 Å²	151.8	58%	0.58	79%	0.785	S	S	*	*			trans	-63.4	132.5	164	-161.9	0	0	0	0	108.7	F354 D358	F354-S356 PolarHBondContact O-N 3.47Å; S356-D358 PolarHBondContact O-N 2.9Å; S356-D358 PolarHBondContact OG-OD2 3.21Å; S356-D358 VanDerWaalsContact OG-OD2 3.1Å
357	S	26.6	Very low	29	Very low	115 Å²	115	150.9 Å²	150.9	80%	0.804	78%	0.784	S	S	*	*	S	Bend	trans	-79.2	60.6	173.5	64.4	0	0	0	0	110.5
358	D	30.8	Very low	28.9	Very low	133 Å²	133	150.1 Å²	150.1	71%	0.711	78%	0.779	S	S	*	*			trans	-119.6	69.5	166.6	-60.7	-45.5	0	0	0	107	S356 E360	S356-D358 PolarHBondContact O-N 2.9Å; S356-D358 PolarHBondContact OG-OD2 3.21Å; S356-D358 VanDerWaalsContact OG-OD2 3.1Å; D358-E360 PolarHBondContact O-N 3.34Å
359	I	29.8	Very low	28.6	Very low	131 Å²	131	149.7 Å²	149.7	67%	0.672	78%	0.779	S	S	*	*			trans	-90.2	90.2	164.2	-61	173.4	0	0	0	105.1	D361	I359-D361 PolarHBondContact O-N 2.98Å
360	E	34.9	Very low	28.4	Very low	183 Å²	183	151.2 Å²	151.2	86%	0.855	78%	0.78	S	S	*	*			trans	-70.1	114.1	151.3	-76.3	-176.8	161.2	0	0	106.3	D358 N362	D358-E360 PolarHBondContact O-N 3.34Å; E360-N362 VanDerWaalsContact C-N 3.29Å; E360-N362 PolarHBondContact O-N 3.49Å
361	D	30.1	Very low	28.2	Very low	130 Å²	130	153.3 Å²	153.3	70%	0.695	78%	0.784	S	S	*	*			trans	-62.8	85.3	178.7	-73.1	-39	0	0	0	110.4	I359 Y363	I359-D361 PolarHBondContact O-N 2.98Å; D361-Y363 HydrophobicContact CB-CE2 4.4Å; D361-Y363 PolarHBondContact O-N 3.36Å
362	N	29.2	Very low	28.1	Very low	133 Å²	133	152.3 Å²	152.3	71%	0.711	78%	0.783	S	S	*	*			trans	-81.9	95.5	172	-168.9	10.6	0	0	0	110	E360 D364	E360-N362 VanDerWaalsContact C-N 3.29Å; E360-N362 PolarHBondContact O-N 3.49Å; N362-D364 VanDerWaalsContact C-N 3.31Å; N362-D364 PolarHBondContact O-N 2.67Å
363	Y	29.5	Very low	27.8	Very low	207 Å²	207	151.1 Å²	151.1	81%	0.812	77%	0.771	S	S	*	*			trans	-74	80.8	167.5	-79.3	-87.4	0	0	0	110.4	D361	D361-Y363 HydrophobicContact CB-CE2 4.4Å; D361-Y363 PolarHBondContact O-N 3.36Å
364	D	31.2	Very low	27.9	Very low	137 Å²	137	146.3 Å²	146.3	73%	0.733	76%	0.757	S	S	*	*			trans	-137.2	86.2	162.2	-86.9	-33.6	0	0	0	110	N362 N366	N362-D364 VanDerWaalsContact C-N 3.31Å; N362-D364 PolarHBondContact O-N 2.67Å; D364-N366 PolarHBondContact O-N 2.9Å
365	A	32	Very low	27.9	Very low	97 Å²	97	143 Å²	143	80%	0.802	75%	0.753	S	S	*	*			trans	-73.6	113.9	171.4	0	0	0	0	0	110.1	I367	A365-I367 PolarHBondContact O-N 3.09Å
366	N	26.3	Very low	28.3	Very low	166 Å²	166	141.3 Å²	141.3	89%	0.888	75%	0.753	S	S	*	*			trans	-50.8	103.8	159.8	-83.3	-37	0	0	0	111.2	D364	D364-N366 PolarHBondContact O-N 2.9Å
367	I	29.4	Very low	28.5	Very low	159 Å²	159	144.1 Å²	144.1	82%	0.815	76%	0.761	S	S	*	*			trans	-127.1	114.7	147.1	-62.5	-177.5	0	0	0	108.4	A365	A365-I367 PolarHBondContact O-N 3.09Å
368	S	25	Very low	28.9	Very low	95 Å²	95	149.5 Å²	149.5	66%	0.664	76%	0.764	S	S	*	*			trans	-54.3	127.8	-178.2	55.4	0	0	0	0	114.1
369	Y	23.2	Very low	28.7	Very low	224 Å²	224	150.6 Å²	150.6	88%	0.878	77%	0.77	S	S	*	*			trans	-13.2	116.3	148.4	-66	-90.6	0	0	0	117.2
370	H	24	Very low	29	Very low	190 Å²	190	154.2 Å²	154.2	88%	0.88	78%	0.781	S	S	*	*			trans	-117.3	115.3	142.6	-92.2	-79	0	0	0	109.4
371	K	25.4	Very low	28.5	Very low	191 Å²	191	151.8 Å²	151.8	83%	0.83	78%	0.778	S	S	*	*			trans	-56.7	145.1	170.7	-78.1	172.3	170.5	172.7	0	111.5
372	T	25.1	Very low	28.4	Very low	118 Å²	118	153.7 Å²	153.7	72%	0.724	79%	0.788	S	S	*	*				179.7	122.5	125.7	29.7	0	0	0	0	114.5
373	K	25	Very low	28.2	Very low	125 Å²	125	153.2 Å²	153.2	54%	0.543	79%	0.789	S	S	.	*			trans	69.7	110.3	136.7	-69.1	179	175.3	171.5	0	123.4	R394	K373-R394 WeakPolarHBondContact CD-O 3.4Å; K373-R394 WeakPolarHBondContact CE-O 3.5Å; K373-R394 PolarHBondContact NZ-O 3.16Å
374	S	25.8	Very low	27.9	Very low	81 Å²	81	150.5 Å²	150.5	57%	0.566	78%	0.784	S	S	*	*				72.7	130.3	125.4	75.1	0	0	0	0	121.9
375	V	26	Very low	27.6	Very low	132 Å²	132	152.5 Å²	152.5	80%	0.8	79%	0.786	S	S	*	*				163	111.3	119	162.6	0	0	0	0	110.5
376	T	34.6	Very low	27.2	Very low	137 Å²	137	154 Å²	154	84%	0.84	78%	0.781	S	S	*	*			trans	-170.6	142.1	148.6	51	0	0	0	0	103.9
377	N	34.9	Very low	27.1	Very low	143 Å²	143	153.4 Å²	153.4	77%	0.765	78%	0.777	S	S	*	*			cis	-168.7	179.2	41	-152.1	-7.6	0	0	0	110.5
378	R	34.3	Very low	27.2	Very low	227 Å²	227	150.3 Å²	150.3	86%	0.857	77%	0.767	S	S	*	*			trans	-65.8	154.5	-162	-71.2	157	169.8	161	-2.2	119.7
379	N	27.6	Very low	27.3	Very low	156 Å²	156	152.6 Å²	152.6	83%	0.834	77%	0.772	S	S	*	*			trans	-51.9	134.5	163.5	-57.7	-28.8	0	0	0	114.9
380	K	35	Very low	27.5	Very low	208 Å²	208	147.1 Å²	147.1	90%	0.904	77%	0.766	S	S	*	*				-163.4	129.7	128.1	-106.7	174.5	-175.7	-177	0	110.2
381	T	24.9	Very low	27.6	Very low	131 Å²	131	145 Å²	145	80%	0.804	76%	0.761	S	S	*	*			trans	-91.6	130.4	-170.5	43.9	0	0	0	0	111.6
382	L	28.7	Very low	27.6	Very low	170 Å²	170	140 Å²	140	89%	0.89	75%	0.751	S	S	*	*			trans	-164.4	107.3	144.6	-121	122.5	0	0	0	112.1
383	V	24.9	Very low	27.6	Very low	123 Å²	123	142.2 Å²	142.2	75%	0.745	75%	0.751	S	S	*	*			trans	63.1	102.9	135.4	-170.1	0	0	0	0	120.9
384	H	22	Very low	27.6	Very low	151 Å²	151	145.4 Å²	145.4	70%	0.699	76%	0.759	S	S	*	*			trans	57.4	112.3	131.5	-115.2	-89.7	0	0	0	121
385	F	25	Very low	27.5	Very low	178 Å²	178	145.1 Å²	145.1	78%	0.781	76%	0.757	S	S	*	*				178.4	121.2	114.8	-90	-66.9	0	0	0	110.6
386	N	24	Very low	27.5	Very low	128 Å²	128	141.8 Å²	141.8	68%	0.684	75%	0.75	S	S	*	*			trans	41.3	135.4	142.3	-56	-13.5	0	0	0	120
387	L	23.9	Very low	27.2	Very low	155 Å²	155	143.6 Å²	143.6	81%	0.812	75%	0.753	S	S	*	*			cis	-169.1	-172.6	3.3	-147.7	84.3	0	0	0	104.9
388	P	31.9	Very low	26.8	Very low	93 Å²	93	144 Å²	144	60%	0.604	76%	0.755	S	S	*	*				-115.2	-170	-112.8	39.7	-19.9	0	0	0	115.8
389	D	27.4	Very low	26.6	Very low	144 Å²	144	141.1 Å²	141.1	77%	0.77	76%	0.755	S	S	*	*			trans	87.1	88.1	156	-56.2	-24.2	0	0	0	119.7
390	S	26.8	Very low	26.6	Very low	109 Å²	109	145.3 Å²	145.3	76%	0.762	76%	0.76	S	S	*	*				165.8	122.3	97.5	50.6	0	0	0	0	112.7
391	N	26.1	Very low	26.3	Very low	144 Å²	144	145 Å²	145	77%	0.77	75%	0.753	S	S	*	*			trans	44.1	110.8	140.3	-64.5	-31.8	0	0	0	119.9
392	S	25.4	Very low	26.7	Very low	87 Å²	87	144 Å²	144	61%	0.608	75%	0.751	S	S	*	*				66.5	134	69.4	91.3	0	0	0	0	112.1
393	F	25.8	Very low	26.9	Very low	165 Å²	165	146.8 Å²	146.8	72%	0.724	75%	0.75	S	S	*	*			cis	-161.8	144.5	26.5	-123.9	-77.5	0	0	0	110.7
394	R	24.5	Very low	27.5	Very low	192 Å²	192	145.7 Å²	145.7	73%	0.725	74%	0.739	S	S	*	*			trans	69.6	104	143.1	-103.6	173.8	177.7	-165.5	-2.3	123.4	K373	K373-R394 WeakPolarHBondContact CD-O 3.4Å; K373-R394 WeakPolarHBondContact CE-O 3.5Å; K373-R394 PolarHBondContact NZ-O 3.16Å
395	S	24	Very low	28.1	Very low	74 Å²	74	142.6 Å²	142.6	52%	0.517	73%	0.734	S	S	.	*				-42.4	157	127.6	46.4	0	0	0	0	115.8
396	G	26.7	Very low	28.9	Very low	63 Å²	63	142.7 Å²	142.7	65%	0.649	73%	0.734	S	S	*	*			trans	164	104.2	166.4	0	0	0	0	0	113.7
397	L	28.1	Very low	29.8	Very low	174 Å²	174	145 Å²	145	91%	0.911	73%	0.734	S	S	*	*			trans	89.8	75.1	158.8	-66.3	125.3	0	0	0	120.1
398	L	27	Very low	30.9	Very low	153 Å²	153	142 Å²	142	80%	0.801	72%	0.723	S	S	*	*			trans	-106.8	94.2	137	-84.1	171.9	0	0	0	108.7
399	L	29.2	Very low	31.5	Very low	165 Å²	165	144 Å²	144	86%	0.864	72%	0.724	S	S	*	*			trans	-163.9	71.5	154.7	-141.9	90.3	0	0	0	111.7
400	R	27.5	Very low	32.6	Very low	245 Å²	245	140.7 Å²	140.7	93%	0.925	71%	0.712	S	S	*	*			trans	-161.6	29.7	159.6	-131.8	179.4	-176.1	-168.4	1.2	117.6
401	R	28.4	Very low	33.8	Very low	202 Å²	202	139.3 Å²	139.3	76%	0.762	70%	0.699	S	S	*	*			trans	-110.4	18	-177.8	-116	-179.4	-175.9	-169.5	1.6	117.1	R403 L404	R401-R403 PolarHBondContact O-N 2.93Å; R401-R403 VanDerWaalsContact O-N 3.16Å; R401-L404 HydrophobicContact CG-CD1 4.05Å
402	S	32.7	Very low	35	Very low	110 Å²	110	138.3 Å²	138.3	77%	0.769	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	9.2	171.7	62.2	0	0	0	0	115.2
403	R	34.4	Very low	36.3	Very low	227 Å²	227	138.2 Å²	138.2	86%	0.857	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	-0.1	176.6	-72.5	-168.7	178.6	-172.7	-0.6	115.8	R401	R401-R403 PolarHBondContact O-N 2.93Å; R401-R403 VanDerWaalsContact O-N 3.16Å
404	L	36.2	Very low	37.7	Very low	100 Å²	100	133.7 Å²	133.7	52%	0.524	67%	0.674	S	S	.	*	S	Bend	trans	-97.7	-17.5	178.5	-86.2	154.4	0	0	0	114.6	R401 F406 Y407	R401-L404 HydrophobicContact CG-CD1 4.05Å; L404-F406 PolarHBondContact O-N 3.49Å; L404-Y407 PolarHBondContact O-N 3.15Å
405	C	35	Very low	39.1	Very low	87 Å²	87	129.8 Å²	129.8	59%	0.588	67%	0.667	S	S	*	*	H	α-helix	trans	-66.8	-21.5	176.4	-70.6	0	0	0	0	114	Y407 T408	C405-Y407 VanDerWaalsContact C-N 3.33Å; C405-T408 PolarHBondContact O-OG1 3.44Å
406	F	42.4	Very low	40.5	Very low	179 Å²	179	134.2 Å²	134.2	79%	0.785	67%	0.672	S	S	*	*	H	α-helix	trans	-72.7	-25.8	176.2	-91.5	-80.4	0	0	0	113.2	L404	L404-F406 PolarHBondContact O-N 3.49Å
407	Y	42	Very low	42	Very low	178 Å²	178	135.4 Å²	135.4	70%	0.698	66%	0.664	S	S	*	*	H	α-helix	trans	-82	-35	178.7	-115.8	-84.4	0	0	0	112.5	L404 C405 Q409 S410 V411	L404-Y407 PolarHBondContact O-N 3.15Å; C405-Y407 VanDerWaalsContact C-N 3.33Å; Y407-Q409 PolarHBondContact O-N 3.15Å; Y407-S410 PolarHBondContact O-N 3.39Å; Y407-V411 WeakPolarHBondContact O-CG2 3.48Å; Y407-V411 PolarHBondContact O-N 3.47Å; Y407-V411 VanDerWaalsContact O-N 3.14Å
408	T	47.1	Very low	43.5	Very low	92 Å²	92	133.1 Å²	133.1	56%	0.564	65%	0.65	S	S	*	*	H	α-helix	trans	-68.9	-35.3	179.7	52.2	0	0	0	0	112.3	C405 V411 L412	C405-T408 PolarHBondContact O-OG1 3.44Å; T408-V411 PolarHBondContact O-N 3.31Å; T408-L412 WeakPolarHBondContact O-CB 3.44Å; T408-L412 PolarHBondContact O-N 2.95Å
409	Q	45.6	Very low	45.6	Very low	133 Å²	133	129.1 Å²	129.1	62%	0.621	64%	0.635	S	S	*	*	H	α-helix	trans	-67.5	-36.3	175.9	-150.5	115.9	-4.9	0	0	112.3	Y407 L412 N413	Y407-Q409 PolarHBondContact O-N 3.15Å; Q409-L412 PolarHBondContact O-N 3.07Å; Q409-N413 PolarHBondContact O-N 3.36Å
410	S	49.6	Very low	47.6	Very low	76 Å²	76	125.8 Å²	125.8	53%	0.531	62%	0.617	S	S	.	*	H	α-helix	trans	-67.4	-42	176.9	-176.7	0	0	0	0	111.8	Y407 N413 S414	Y407-S410 PolarHBondContact O-N 3.39Å; S410-N413 PolarHBondContact O-N 2.95Å; S410-S414 WeakPolarHBondContact O-CB 3.3Å; S410-S414 PolarHBondContact O-N 3.5Å
411	V	52.6	Low	49.8	Very low	79 Å²	79	120.3 Å²	120.3	48%	0.479	60%	0.602	S	S	.	*	H	α-helix	trans	-66.1	-39.9	176	175.7	0	0	0	0	111.5	Y407 T408 S414 L415	Y407-V411 WeakPolarHBondContact O-CG2 3.48Å; Y407-V411 PolarHBondContact O-N 3.47Å; Y407-V411 VanDerWaalsContact O-N 3.14Å; T408-V411 PolarHBondContact O-N 3.31Å; V411-S414 WeakPolarHBondContact O-CB 3.49Å; V411-S414 PolarHBondContact O-N 2.84Å; V411-L415 HydrophobicContact CG1-CD1 4.18Å; V411-L415 PolarHBondContact O-N 3.45Å
412	L	51.5	Low	52	Low	123 Å²	123	117.5 Å²	117.5	64%	0.644	60%	0.595	S	S	*	*	H	α-helix	trans	-66.5	-41.2	178.6	-151.8	81.2	0	0	0	112	T408 Q409 S414 L415 R416	T408-L412 WeakPolarHBondContact O-CB 3.44Å; T408-L412 PolarHBondContact O-N 2.95Å; Q409-L412 PolarHBondContact O-N 3.07Å; L412-S414 VanDerWaalsContact C-N 3.32Å; L412-L415 PolarHBondContact O-N 3.13Å; L412-R416 PolarHBondContact O-N 3.21Å
413	N	53.1	Low	53.8	Low	86 Å²	86	117.5 Å²	117.5	46%	0.46	59%	0.586	S	S	.	*	H	α-helix	trans	-66.8	-34	172.8	-83.3	-8.9	0	0	0	112.1	Q409 S410 R416 N417	Q409-N413 PolarHBondContact O-N 3.36Å; S410-N413 PolarHBondContact O-N 2.95Å; N413-R416 PolarHBondContact O-N 3.16Å; N413-N417 WeakPolarHBondContact O-CB 3.36Å; N413-N417 PolarHBondContact O-N 3.46Å
414	S	54.6	Low	55.6	Low	69 Å²	69	109.4 Å²	109.4	48%	0.483	57%	0.568	S	S	.	*	H	α-helix	trans	-64.2	-43.8	172.2	-167.1	0	0	0	0	111.4	S410 V411 L412 N417 M418	S410-S414 WeakPolarHBondContact O-CB 3.3Å; S410-S414 PolarHBondContact O-N 3.5Å; V411-S414 WeakPolarHBondContact O-CB 3.49Å; V411-S414 PolarHBondContact O-N 2.84Å; L412-S414 VanDerWaalsContact C-N 3.32Å; S414-N417 PolarHBondContact O-N 3.22Å; S414-M418 WeakPolarHBondContact O-CB 3.09Å; S414-M418 WeakPolarHBondContact O-CG 3.41Å; S414-M418 PolarHBondContact O-N 2.86Å
415	L	53.1	Low	57.6	Low	110 Å²	110	111.5 Å²	111.5	58%	0.576	57%	0.573	S	S	*	*	H	α-helix	trans	-63.6	-40.8	176	-89.8	155.4	0	0	0	112.3	V411 L412 M418 S419	V411-L415 HydrophobicContact CG1-CD1 4.18Å; V411-L415 PolarHBondContact O-N 3.45Å; L412-L415 PolarHBondContact O-N 3.13Å; L415-M418 PolarHBondContact O-N 3.32Å; L415-S419 PolarHBondContact O-N 3.05Å
416	R	53.9	Low	59.5	Low	167 Å²	167	111 Å²	111	63%	0.63	56%	0.564	S	S	*	*	H	α-helix	trans	-66.9	-38.2	176.1	-152.9	177.7	95.5	179.3	8.1	112.1	L412 N413 M418 S419 I420	L412-R416 PolarHBondContact O-N 3.21Å; N413-R416 PolarHBondContact O-N 3.16Å; R416-M418 VanDerWaalsContact C-N 3.35Å; R416-S419 PolarHBondContact O-N 3.02Å; R416-S419 PolarHBondContact O-OG 2.93Å; R416-I420 WeakPolarHBondContact O-CG1 2.98Å; R416-I420 PolarHBondContact O-N 2.82Å
417	N	57.8	Low	60.9	Low	89 Å²	89	108.1 Å²	108.1	48%	0.476	55%	0.554	S	S	.	*	H	α-helix	trans	-68.2	-36.5	172.8	-77.8	-10	0	0	0	111.5	N413 S414 I420 H421	N413-N417 WeakPolarHBondContact O-CB 3.36Å; N413-N417 PolarHBondContact O-N 3.46Å; S414-N417 PolarHBondContact O-N 3.22Å; N417-I420 PolarHBondContact O-N 2.98Å; N417-H421 WeakPolarHBondContact O-CB 3.03Å; N417-H421 PolarHBondContact O-CD2 3.22Å; N417-H421 PolarHBondContact O-N 3.37Å
418	M	59.3	Low	62.6	Low	125 Å²	125	101.8 Å²	101.8	62%	0.616	54%	0.539	S	S	*	.	H	α-helix	trans	-65.5	-37.5	175.3	-70.3	-67.8	-89.6	0	0	112.2	S414 L415 R416 H421 F422	S414-M418 WeakPolarHBondContact O-CB 3.09Å; S414-M418 WeakPolarHBondContact O-CG 3.41Å; S414-M418 PolarHBondContact O-N 2.86Å; L415-M418 PolarHBondContact O-N 3.32Å; R416-M418 VanDerWaalsContact C-N 3.35Å; M418-H421 PolarHBondContact O-N 2.89Å; M418-F422 VanDerWaalsContact O-CB 3.28Å; M418-F422 WeakPolarHBondContact O-CB 3.38Å; M418-F422 PolarHBondContact O-N 3.02Å
419	S	72.6	Confident	64.1	Low	69 Å²	69	103.4 Å²	103.4	48%	0.483	54%	0.538	S	S	.	.	H	α-helix	trans	-66.7	-38.8	175.9	71.2	0	0	0	0	112.1	L415 R416 F422 L423	L415-S419 PolarHBondContact O-N 3.05Å; R416-S419 PolarHBondContact O-N 3.02Å; R416-S419 PolarHBondContact O-OG 2.93Å; S419-F422 PolarHBondContact O-N 3.44Å; S419-L423 WeakPolarHBondContact O-CB 3.33Å; S419-L423 PolarHBondContact O-N 3.34Å
420	I	70.6	Confident	65.5	Low	95 Å²	95	101.8 Å²	101.8	49%	0.487	53%	0.533	S	S	.	.	H	α-helix	trans	-66.5	-43.5	174.8	-63.9	166	0	0	0	110.7	R416 N417 L423 A424	R416-I420 WeakPolarHBondContact O-CG1 2.98Å; R416-I420 PolarHBondContact O-N 2.82Å; N417-I420 PolarHBondContact O-N 2.98Å; I420-L423 PolarHBondContact O-N 3Å; I420-A424 WeakPolarHBondContact O-CB 3.27Å; I420-A424 PolarHBondContact O-N 3.11Å
421	H	72.9	Confident	66.6	Low	130 Å²	130	102.7 Å²	102.7	60%	0.602	53%	0.526	S	S	*	.	H	α-helix	trans	-64.7	-38.5	176.1	-77.4	-58	0	0	0	112.5	N417 M418 A424 F425	N417-H421 WeakPolarHBondContact O-CB 3.03Å; N417-H421 PolarHBondContact O-CD2 3.22Å; N417-H421 PolarHBondContact O-N 3.37Å; M418-H421 PolarHBondContact O-N 2.89Å; H421-A424 PolarHBondContact O-N 3.5Å; H421-F425 WeakPolarHBondContact O-CB 3.49Å; H421-F425 PolarHBondContact O-N 2.91Å
422	F	75.1	Confident	67.6	Low	143 Å²	143	100.9 Å²	100.9	63%	0.627	52%	0.519	S	S	*	.	H	α-helix	trans	-65.7	-44.3	175.8	-173.1	-96.8	0	0	0	111.5	M418 S419 A424 F425 L426	M418-F422 VanDerWaalsContact O-CB 3.28Å; M418-F422 WeakPolarHBondContact O-CB 3.38Å; M418-F422 PolarHBondContact O-N 3.02Å; S419-F422 PolarHBondContact O-N 3.44Å; F422-A424 VanDerWaalsContact C-N 3.34Å; F422-A424 PolarHBondContact O-N 3.3Å; F422-F425 PolarHBondContact O-N 3.1Å; F422-L426 WeakPolarHBondContact O-CB 3.45Å; F422-L426 PolarHBondContact O-N 3.49Å
423	L	69.7	Low	68.7	Low	110 Å²	110	98.5 Å²	98.5	58%	0.576	51%	0.509	S	S	*	.	H	α-helix	trans	-63.1	-41	175.9	-170.2	69.8	0	0	0	111.6	S419 I420 L426 M427	S419-L423 WeakPolarHBondContact O-CB 3.33Å; S419-L423 PolarHBondContact O-N 3.34Å; I420-L423 PolarHBondContact O-N 3Å; L423-L426 WeakPolarHBondContact O-CB 3.47Å; L423-L426 PolarHBondContact O-N 3.38Å; L423-M427 WeakPolarHBondContact O-CG 3.39Å; L423-M427 PolarHBondContact O-N 3.16Å
424	A	72.8	Confident	69.6	Low	57 Å²	57	96 Å²	96	47%	0.471	50%	0.503	S	S	.	.	H	α-helix	trans	-64.6	-39.2	174.8	0	0	0	0	0	112.1	I420 H421 F422 M427 A428	I420-A424 WeakPolarHBondContact O-CB 3.27Å; I420-A424 PolarHBondContact O-N 3.11Å; H421-A424 PolarHBondContact O-N 3.5Å; F422-A424 VanDerWaalsContact C-N 3.34Å; F422-A424 PolarHBondContact O-N 3.3Å; A424-M427 PolarHBondContact O-N 3.47Å; A424-A428 VanDerWaalsContact O-CB 3.32Å; A424-A428 WeakPolarHBondContact O-CB 3.39Å; A424-A428 PolarHBondContact O-N 2.85Å
425	F	79.4	Confident	70.3	Confident	144 Å²	144	95.4 Å²	95.4	63%	0.632	50%	0.495	S	S	*	.	H	α-helix	trans	-65.1	-42.3	174.5	-174.7	-93.1	0	0	0	111.6	H421 F422 A428 F429	H421-F425 WeakPolarHBondContact O-CB 3.49Å; H421-F425 PolarHBondContact O-N 2.91Å; F422-F425 PolarHBondContact O-N 3.1Å; F425-A428 PolarHBondContact O-N 2.9Å; F425-F429 WeakPolarHBondContact O-CB 3.35Å; F425-F429 PolarHBondContact O-N 2.94Å
426	L	72.9	Confident	71.2	Confident	78 Å²	78	95.6 Å²	95.6	41%	0.408	50%	0.495	S	S	.	.	H	α-helix	trans	-59.8	-47	175.8	-168.4	90.4	0	0	0	111.2	F422 L423 F429 I430	F422-L426 WeakPolarHBondContact O-CB 3.45Å; F422-L426 PolarHBondContact O-N 3.49Å; L423-L426 WeakPolarHBondContact O-CB 3.47Å; L423-L426 PolarHBondContact O-N 3.38Å; L426-F429 WeakPolarHBondContact O-CB 3.1Å; L426-F429 PolarHBondContact O-N 3.02Å; L426-I430 HydrophobicContact CD2-CD1 4.46Å; L426-I430 HydrophobicContact CG-CD1 4.33Å; L426-I430 WeakPolarHBondContact O-CG1 2.89Å; L426-I430 PolarHBondContact O-N 2.92Å
427	M	73.5	Confident	71.8	Confident	117 Å²	117	93 Å²	93	58%	0.576	49%	0.489	S	S	*	.	H	α-helix	trans	-65.7	-39.1	177.4	-70.9	-61.9	-72.5	0	0	112.2	L423 A424 F429 I430 Y431	L423-M427 WeakPolarHBondContact O-CG 3.39Å; L423-M427 PolarHBondContact O-N 3.16Å; A424-M427 PolarHBondContact O-N 3.47Å; M427-F429 VanDerWaalsContact C-N 3.33Å; M427-I430 PolarHBondContact O-N 3.22Å; M427-I430 HydrophobicContact SD-CD1 4.49Å; M427-Y431 WeakPolarHBondContact O-CB 3.36Å; M427-Y431 PolarHBondContact O-N 3.45Å
428	A	76.6	Confident	72.1	Confident	46 Å²	46	93.9 Å²	93.9	38%	0.38	49%	0.493	S	S	.	.	H	α-helix	trans	-65.2	-37	174.2	0	0	0	0	0	112.2	A424 F425 Y431 A432	A424-A428 VanDerWaalsContact O-CB 3.32Å; A424-A428 WeakPolarHBondContact O-CB 3.39Å; A424-A428 PolarHBondContact O-N 2.85Å; F425-A428 PolarHBondContact O-N 2.9Å; A428-Y431 PolarHBondContact O-N 3.47Å; A428-A432 WeakPolarHBondContact O-CB 3.41Å; A428-A432 PolarHBondContact O-N 3.35Å
429	F	78.9	Confident	72.3	Confident	125 Å²	125	96 Å²	96	55%	0.548	50%	0.495	S	S	.	.	H	α-helix	trans	-66	-48.1	175.6	-177.5	-95.9	0	0	0	111.5	F425 L426 M427 Y431 A432 V433	F425-F429 WeakPolarHBondContact O-CB 3.35Å; F425-F429 PolarHBondContact O-N 2.94Å; L426-F429 WeakPolarHBondContact O-CB 3.1Å; L426-F429 PolarHBondContact O-N 3.02Å; M427-F429 VanDerWaalsContact C-N 3.33Å; F429-Y431 VanDerWaalsContact C-N 3.26Å; F429-Y431 PolarHBondContact O-N 3.14Å; F429-A432 PolarHBondContact O-N 3.5Å; F429-V433 HydrophobicContact CD1-CG2 4.18Å; F429-V433 HydrophobicContact CE1-CG2 3.8Å; F429-V433 HydrophobicContact CE2-CG2 4.33Å; F429-V433 HydrophobicContact CZ-CG2 3.88Å; F429-V433 WeakPolarHBondContact O-CG2 3.31Å; F429-V433 PolarHBondContact O-N 3.48Å
430	I	74.2	Confident	71.6	Confident	99 Å²	99	96.2 Å²	96.2	51%	0.508	49%	0.494	S	S	.	.	H	α-helix	trans	-57.4	-42.6	175.4	-67.8	167.5	0	0	0	110.4	L426 M427 G434	L426-I430 HydrophobicContact CD2-CD1 4.46Å; L426-I430 HydrophobicContact CG-CD1 4.33Å; L426-I430 WeakPolarHBondContact O-CG1 2.89Å; L426-I430 PolarHBondContact O-N 2.92Å; M427-I430 PolarHBondContact O-N 3.22Å; M427-I430 HydrophobicContact SD-CD1 4.49Å; I430-G434 PolarHBondContact O-N 3.24Å
431	Y	74.3	Confident	71	Confident	96 Å²	96	96.1 Å²	96.1	38%	0.376	49%	0.494	S	S	.	.	H	α-helix	trans	-67.3	-41.6	177.4	-177.6	-105	0	0	0	113.1	M427 A428 F429 G434 N435 W558 F561	M427-Y431 WeakPolarHBondContact O-CB 3.36Å; M427-Y431 PolarHBondContact O-N 3.45Å; A428-Y431 PolarHBondContact O-N 3.47Å; F429-Y431 VanDerWaalsContact C-N 3.26Å; F429-Y431 PolarHBondContact O-N 3.14Å; Y431-G434 PolarHBondContact O-N 3.46Å; Y431-N435 WeakPolarHBondContact CE1-ND2 3.41Å; Y431-N435 PolarHBondContact O-N 3.28Å; Y431-N435 PolarHBondContact OH-ND2 3.45Å; Y431-W558 AromaticContact CD1-CH2 3.89Å; Y431-W558 HydrophobicContact CD1-CH2 3.89Å; Y431-W558 AromaticContact CE1-CH2 3.71Å; Y431-W558 HydrophobicContact CE1-CH2 3.71Å; Y431-W558 HydrophobicContact CE1-CZ3 4.16Å; Y431-F561 HydrophobicContact CE1-CE1 4.29Å; Y431-F561 HydrophobicContact CE1-CZ 4.05Å; Y431-F561 AromaticContact CZ-CZ 3.95Å
432	A	73.6	Confident	70.4	Confident	41 Å²	41	92.8 Å²	92.8	34%	0.339	49%	0.485	S	S	.	.	H	α-helix	trans	-63.4	-43.4	176.6	0	0	0	0	0	111.7	A428 F429 N435 I436	A428-A432 WeakPolarHBondContact O-CB 3.41Å; A428-A432 PolarHBondContact O-N 3.35Å; F429-A432 PolarHBondContact O-N 3.5Å; A432-N435 PolarHBondContact O-N 3.21Å; A432-I436 VanDerWaalsContact O-CG1 3.32Å; A432-I436 WeakPolarHBondContact O-CG1 3.39Å; A432-I436 PolarHBondContact O-N 3.41Å
433	V	74.4	Confident	69.4	Low	72 Å²	72	88.4 Å²	88.4	44%	0.436	47%	0.472	S	S	.	.	H	α-helix	trans	-62.5	-44.1	174.5	173.4	0	0	0	0	110.6	F429 N435 I436 F437	F429-V433 HydrophobicContact CD1-CG2 4.18Å; F429-V433 HydrophobicContact CE1-CG2 3.8Å; F429-V433 HydrophobicContact CE2-CG2 4.33Å; F429-V433 HydrophobicContact CZ-CG2 3.88Å; F429-V433 WeakPolarHBondContact O-CG2 3.31Å; F429-V433 PolarHBondContact O-N 3.48Å; V433-N435 PolarHBondContact O-N 3.36Å; V433-I436 PolarHBondContact O-N 3.24Å; V433-F437 WeakPolarHBondContact O-CB 3.42Å; V433-F437 PolarHBondContact O-N 2.8Å
434	G	71.5	Confident	68.7	Low	33 Å²	33	88.1 Å²	88.1	34%	0.34	47%	0.47	S	S	.	.	H	α-helix	trans	-58.5	-43.7	174.6	0	0	0	0	0	112.9	I430 Y431 F437 L438	I430-G434 PolarHBondContact O-N 3.24Å; Y431-G434 PolarHBondContact O-N 3.46Å; G434-F437 WeakPolarHBondContact O-CB 3.21Å; G434-F437 PolarHBondContact O-N 3.29Å; G434-L438 WeakPolarHBondContact O-CG 3.38Å; G434-L438 PolarHBondContact O-N 3.46Å
435	N	68.6	Low	67.6	Low	58 Å²	58	89.3 Å²	89.3	31%	0.31	47%	0.473	S	S	.	.	H	α-helix	trans	-69.2	-40.6	178.2	-88	-21.7	0	0	0	113.3	Y431 A432 V433 F437 L438 Y439	Y431-N435 WeakPolarHBondContact CE1-ND2 3.41Å; Y431-N435 PolarHBondContact O-N 3.28Å; Y431-N435 PolarHBondContact OH-ND2 3.45Å; A432-N435 PolarHBondContact O-N 3.21Å; V433-N435 PolarHBondContact O-N 3.36Å; N435-F437 PolarHBondContact O-N 3.31Å; N435-L438 PolarHBondContact O-N 3.49Å; N435-Y439 WeakPolarHBondContact O-CB 3.44Å; N435-Y439 PolarHBondContact O-N 3.36Å
436	I	72.9	Confident	66.5	Low	113 Å²	113	91.1 Å²	91.1	58%	0.579	48%	0.476	S	S	*	.	H	α-helix	trans	-57.9	-41.4	172.9	-69.7	165.6	0	0	0	109.4	A432 V433 Y439 T440	A432-I436 VanDerWaalsContact O-CG1 3.32Å; A432-I436 WeakPolarHBondContact O-CG1 3.39Å; A432-I436 PolarHBondContact O-N 3.41Å; V433-I436 PolarHBondContact O-N 3.24Å; I436-Y439 PolarHBondContact O-N 2.94Å; I436-T440 WeakPolarHBondContact O-CG2 3.42Å; I436-T440 PolarHBondContact O-N 3.45Å; I436-T440 PolarHBondContact O-OG1 2.8Å
437	F	66.2	Low	65.5	Low	112 Å²	112	92.2 Å²	92.2	49%	0.491	48%	0.482	S	S	.	.	H	α-helix	trans	-68.8	-38.1	178.6	-157.5	-91.6	0	0	0	113.2	V433 G434 N435 Y439 T440 L441	V433-F437 WeakPolarHBondContact O-CB 3.42Å; V433-F437 PolarHBondContact O-N 2.8Å; G434-F437 WeakPolarHBondContact O-CB 3.21Å; G434-F437 PolarHBondContact O-N 3.29Å; N435-F437 PolarHBondContact O-N 3.31Å; F437-Y439 VanDerWaalsContact C-N 3.32Å; F437-T440 WeakPolarHBondContact CA-OG1 3.27Å; F437-T440 PolarHBondContact O-N 3.01Å; F437-T440 PolarHBondContact O-OG1 2.96Å; F437-L441 HydrophobicContact CD1-CD1 4.2Å; F437-L441 HydrophobicContact CE1-CD1 3.78Å; F437-L441 PolarHBondContact O-N 3.02Å
438	L	64.7	Low	64.5	Low	109 Å²	109	92.9 Å²	92.9	57%	0.571	48%	0.481	S	S	*	.	H	α-helix	trans	-67.1	-34.6	172.6	-71	172.7	0	0	0	111.9	G434 N435 L441 S442	G434-L438 WeakPolarHBondContact O-CG 3.38Å; G434-L438 PolarHBondContact O-N 3.46Å; N435-L438 PolarHBondContact O-N 3.49Å; L438-L441 PolarHBondContact O-N 3.46Å; L438-S442 WeakPolarHBondContact O-CB 3.35Å; L438-S442 PolarHBondContact O-N 2.91Å
439	Y	63.7	Low	63	Low	169 Å²	169	98 Å²	98	66%	0.663	50%	0.498	S	S	*	.	H	α-helix	trans	-68.8	-39.4	176.8	-139.2	-82.2	0	0	0	112.1	N435 I436 F437 S442 C443	N435-Y439 WeakPolarHBondContact O-CB 3.44Å; N435-Y439 PolarHBondContact O-N 3.36Å; I436-Y439 PolarHBondContact O-N 2.94Å; F437-Y439 VanDerWaalsContact C-N 3.32Å; Y439-S442 PolarHBondContact O-N 3.47Å; Y439-C443 PolarHBondContact O-N 2.91Å; Y439-C443 PolarHBondContact O-SG 2.92Å; Y439-C443 VanDerWaalsContact O-SG 3.34Å
440	T	58	Low	61.6	Low	73 Å²	73	99.8 Å²	99.8	45%	0.448	50%	0.501	S	S	.	.	H	α-helix	trans	-66.9	-38.5	173.1	55.4	0	0	0	0	111.2	I436 F437 S442 C443 L444	I436-T440 WeakPolarHBondContact O-CG2 3.42Å; I436-T440 PolarHBondContact O-N 3.45Å; I436-T440 PolarHBondContact O-OG1 2.8Å; F437-T440 WeakPolarHBondContact CA-OG1 3.27Å; F437-T440 PolarHBondContact O-N 3.01Å; F437-T440 PolarHBondContact O-OG1 2.96Å; T440-S442 VanDerWaalsContact C-N 3.33Å; T440-S442 PolarHBondContact O-N 3.4Å; T440-C443 PolarHBondContact O-N 3.22Å; T440-L444 PolarHBondContact O-N 2.81Å
441	L	58.4	Low	60.2	Low	93 Å²	93	99 Å²	99	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-37.7	173.1	-126.2	88	0	0	0	112.5	F437 L438 C443 L444 P445	F437-L441 HydrophobicContact CD1-CD1 4.2Å; F437-L441 HydrophobicContact CE1-CD1 3.78Å; F437-L441 PolarHBondContact O-N 3.02Å; L438-L441 PolarHBondContact O-N 3.46Å; L441-C443 VanDerWaalsContact C-N 3.33Å; L441-L444 PolarHBondContact O-N 3.4Å; L441-P445 WeakPolarHBondContact O-CD 3.43Å
442	S	58.6	Low	58.7	Low	60 Å²	60	99.3 Å²	99.3	42%	0.42	50%	0.5	S	S	.	.	H	α-helix	trans	-67.6	-30.2	174.8	166.7	0	0	0	0	113.1	L438 Y439 T440 P445	L438-S442 WeakPolarHBondContact O-CB 3.35Å; L438-S442 PolarHBondContact O-N 2.91Å; Y439-S442 PolarHBondContact O-N 3.47Å; T440-S442 VanDerWaalsContact C-N 3.33Å; T440-S442 PolarHBondContact O-N 3.4Å; S442-P445 WeakPolarHBondContact O-CD 3.39Å
443	C	53.9	Low	57.2	Low	52 Å²	52	99.6 Å²	99.6	35%	0.351	51%	0.508	S	S	.	.	H	α-helix	trans	-76.9	-28.9	176.8	-71.4	0	0	0	0	113.2	Y439 T440 L441 R446 L447	Y439-C443 PolarHBondContact O-N 2.91Å; Y439-C443 PolarHBondContact O-SG 2.92Å; Y439-C443 VanDerWaalsContact O-SG 3.34Å; T440-C443 PolarHBondContact O-N 3.22Å; L441-C443 VanDerWaalsContact C-N 3.33Å; C443-R446 PolarHBondContact O-N 3.5Å; C443-R446 VanDerWaalsContact O-N 3.15Å; C443-L447 PolarHBondContact O-N 2.89Å
444	L	55.2	Low	55.7	Low	103 Å²	103	103 Å²	103	54%	0.539	52%	0.516	S	S	.	.	H	α-helix	trans	-57	-45.8	-179.2	-82.2	170.1	0	0	0	113.6	T440 L441 R446 L447 F448	T440-L444 PolarHBondContact O-N 2.81Å; L441-L444 PolarHBondContact O-N 3.4Å; L444-R446 VanDerWaalsContact C-N 3.35Å; L444-R446 PolarHBondContact O-N 3.34Å; L444-L447 PolarHBondContact O-N 2.88Å; L444-F448 WeakPolarHBondContact O-CB 3.33Å; L444-F448 PolarHBondContact O-N 3.48Å
445	P	51.2	Low	54.2	Low	82 Å²	82	107.6 Å²	107.6	53%	0.532	53%	0.533	S	S	.	.	H	α-helix	trans	-60.9	-38.7	174.3	-24.3	30.3	0	0	0	113.6	L441 S442 L447 F448 H449	L441-P445 WeakPolarHBondContact O-CD 3.43Å; S442-P445 WeakPolarHBondContact O-CD 3.39Å; P445-L447 VanDerWaalsContact C-N 3.35Å; P445-F448 PolarHBondContact O-N 3.46Å; P445-H449 WeakPolarHBondContact O-CB 3.46Å; P445-H449 PolarHBondContact O-N 3.21Å
446	R	55.9	Low	52.8	Low	182 Å²	182	112.3 Å²	112.3	69%	0.687	55%	0.551	S	S	*	*	H	α-helix	trans	-66.8	-39.4	179	-68	-177.5	177.5	178	-0.7	111.3	C443 L444 H449 W450	C443-R446 PolarHBondContact O-N 3.5Å; C443-R446 VanDerWaalsContact O-N 3.15Å; L444-R446 VanDerWaalsContact C-N 3.35Å; L444-R446 PolarHBondContact O-N 3.34Å; R446-H449 PolarHBondContact O-N 2.88Å; R446-W450 PolarHBondContact O-N 3.46Å
447	L	50.9	Low	50.9	Low	102 Å²	102	110.7 Å²	110.7	53%	0.534	55%	0.55	S	S	.	.	H	α-helix	trans	-67.6	-40.4	175.4	-129	151.8	0	0	0	111.2	C443 L444 P445 W450 L451	C443-L447 PolarHBondContact O-N 2.89Å; L444-L447 PolarHBondContact O-N 2.88Å; P445-L447 VanDerWaalsContact C-N 3.35Å; L447-W450 PolarHBondContact O-N 3.32Å; L447-L451 HydrophobicContact CD2-CD1 3.81Å; L447-L451 HydrophobicContact CD2-CG 4.42Å; L447-L451 WeakPolarHBondContact O-CB 3.35Å; L447-L451 WeakPolarHBondContact O-CG 3.45Å; L447-L451 PolarHBondContact O-N 2.86Å
448	F	52.1	Low	49.2	Very low	130 Å²	130	108.5 Å²	108.5	57%	0.57	56%	0.558	S	S	*	*	H	α-helix	trans	-62.7	-42.4	173.2	-121.4	-92.2	0	0	0	111.9	L444 P445 L451 F452	L444-F448 WeakPolarHBondContact O-CB 3.33Å; L444-F448 PolarHBondContact O-N 3.48Å; P445-F448 PolarHBondContact O-N 3.46Å; F448-L451 PolarHBondContact O-N 2.96Å; F448-F452 AromaticContact CD1-CD2 3.81Å; F448-F452 HydrophobicContact CD1-CD2 3.81Å; F448-F452 AromaticContact CD1-CE2 3.89Å; F448-F452 HydrophobicContact CD1-CE2 3.89Å; F448-F452 HydrophobicContact CE1-CD2 4.09Å; F448-F452 AromaticContact CE1-CE2 3.69Å; F448-F452 HydrophobicContact CE1-CE2 3.69Å; F448-F452 WeakPolarHBondContact O-CB 3.4Å; F448-F452 PolarHBondContact O-N 3.03Å
449	H	47	Very low	47.7	Very low	155 Å²	155	109.6 Å²	109.6	72%	0.718	57%	0.565	S	S	*	*	H	α-helix	trans	-67.2	-38.3	178.7	-156.7	70	0	0	0	112	P445 R446 G453	P445-H449 WeakPolarHBondContact O-CB 3.46Å; P445-H449 PolarHBondContact O-N 3.21Å; R446-H449 PolarHBondContact O-N 2.88Å; H449-G453 PolarHBondContact O-N 2.88Å
450	W	48.7	Very low	46	Very low	162 Å²	162	109 Å²	109	61%	0.614	57%	0.573	S	S	*	*	H	α-helix	trans	-68.4	-40.8	174.8	-173.3	80.8	0	0	0	112.6	R446 L447 G453 K454	R446-W450 PolarHBondContact O-N 3.46Å; L447-W450 PolarHBondContact O-N 3.32Å; W450-G453 PolarHBondContact O-N 3.23Å; W450-K454 HydrophobicContact CH2-CD 4.36Å; W450-K454 HydrophobicContact CZ2-CD 4.35Å; W450-K454 PolarHBondContact O-N 2.88Å
451	L	45.2	Very low	44.7	Very low	82 Å²	82	112 Å²	112	43%	0.429	59%	0.586	S	S	.	*	H	α-helix	trans	-66.9	-42.3	175.5	-80.9	164.2	0	0	0	112.1	L447 F448 K454 L455	L447-L451 HydrophobicContact CD2-CD1 3.81Å; L447-L451 HydrophobicContact CD2-CG 4.42Å; L447-L451 WeakPolarHBondContact O-CB 3.35Å; L447-L451 WeakPolarHBondContact O-CG 3.45Å; L447-L451 PolarHBondContact O-N 2.86Å; F448-L451 PolarHBondContact O-N 2.96Å; L451-K454 PolarHBondContact O-N 3.48Å; L451-L455 PolarHBondContact O-N 3.44Å
452	F	42.8	Very low	43.1	Very low	102 Å²	102	112.4 Å²	112.4	45%	0.447	60%	0.597	S	S	.	*	H	α-helix	trans	-66.5	-38	174.6	-102.8	-103.7	0	0	0	111.9	F448 K454 L455 F456	F448-F452 AromaticContact CD1-CD2 3.81Å; F448-F452 HydrophobicContact CD1-CD2 3.81Å; F448-F452 AromaticContact CD1-CE2 3.89Å; F448-F452 HydrophobicContact CD1-CE2 3.89Å; F448-F452 HydrophobicContact CE1-CD2 4.09Å; F448-F452 AromaticContact CE1-CE2 3.69Å; F448-F452 HydrophobicContact CE1-CE2 3.69Å; F448-F452 WeakPolarHBondContact O-CB 3.4Å; F448-F452 PolarHBondContact O-N 3.03Å; F452-K454 PolarHBondContact O-N 3.47Å; F452-L455 PolarHBondContact O-N 3.24Å; F452-L455 VanDerWaalsContact O-N 3.17Å; F452-F456 AromaticContact CD1-CD2 3.5Å; F452-F456 HydrophobicContact CD1-CD2 3.5Å; F452-F456 VanDerWaalsContact CD1-CD2 3.5Å; F452-F456 AromaticContact CD1-CE2 3.3Å; F452-F456 HydrophobicContact CD1-CE2 3.3Å; F452-F456 HydrophobicContact CD1-CZ 4.43Å; F452-F456 AromaticContact CE1-CD2 3.97Å; F452-F456 HydrophobicContact CE1-CD2 3.97Å; F452-F456 AromaticContact CE1-CE2 3.25Å; F452-F456 HydrophobicContact CE1-CE2 3.25Å; F452-F456 HydrophobicContact CE1-CZ 4.07Å; F452-F456 HydrophobicContact CG-CD2 4.31Å; F452-F456 HydrophobicContact CG-CE2 4.29Å; F452-F456 HydrophobicContact CZ-CE2 4.19Å; F452-F456 WeakPolarHBondContact O-CD2 3.41Å; F452-F456 PolarHBondContact O-N 2.91Å
453	G	41.5	Very low	41.5	Very low	48 Å²	48	114.8 Å²	114.8	50%	0.495	61%	0.614	S	S	.	*	H	α-helix	trans	-58.9	-33.5	174.8	0	0	0	0	0	113.1	H449 W450 S457	H449-G453 PolarHBondContact O-N 2.88Å; W450-G453 PolarHBondContact O-N 3.23Å; G453-S457 WeakPolarHBondContact O-CB 3.46Å; G453-S457 PolarHBondContact O-N 2.85Å
454	K	42.9	Very low	40	Very low	142 Å²	142	116.6 Å²	116.6	62%	0.617	63%	0.633	S	S	*	*	H	α-helix	trans	-81.3	-33.6	173.3	-89	-171.8	172.5	-177.7	0	114.1	W450 L451 F452 F456	W450-K454 HydrophobicContact CH2-CD 4.36Å; W450-K454 HydrophobicContact CZ2-CD 4.35Å; W450-K454 PolarHBondContact O-N 2.88Å; L451-K454 PolarHBondContact O-N 3.48Å; F452-K454 PolarHBondContact O-N 3.47Å; K454-F456 VanDerWaalsContact C-N 3.31Å
455	L	40.1	Very low	38.5	Very low	131 Å²	131	120.2 Å²	120.2	69%	0.686	65%	0.649	S	S	*	*	H	α-helix	trans	-72.4	-25.4	178.7	-91.4	156.2	0	0	0	113	L451 F452	L451-L455 PolarHBondContact O-N 3.44Å; F452-L455 PolarHBondContact O-N 3.24Å; F452-L455 VanDerWaalsContact O-N 3.17Å
456	F	39.8	Very low	37.1	Very low	156 Å²	156	121 Å²	121	68%	0.684	66%	0.656	S	S	*	*	S	Bend	trans	-110.9	4.5	-179.6	-70.6	-82.5	0	0	0	114.7	F452 K454 G458	F452-F456 AromaticContact CD1-CD2 3.5Å; F452-F456 HydrophobicContact CD1-CD2 3.5Å; F452-F456 VanDerWaalsContact CD1-CD2 3.5Å; F452-F456 AromaticContact CD1-CE2 3.3Å; F452-F456 HydrophobicContact CD1-CE2 3.3Å; F452-F456 HydrophobicContact CD1-CZ 4.43Å; F452-F456 AromaticContact CE1-CD2 3.97Å; F452-F456 HydrophobicContact CE1-CD2 3.97Å; F452-F456 AromaticContact CE1-CE2 3.25Å; F452-F456 HydrophobicContact CE1-CE2 3.25Å; F452-F456 HydrophobicContact CE1-CZ 4.07Å; F452-F456 HydrophobicContact CG-CD2 4.31Å; F452-F456 HydrophobicContact CG-CE2 4.29Å; F452-F456 HydrophobicContact CZ-CE2 4.19Å; F452-F456 WeakPolarHBondContact O-CD2 3.41Å; F452-F456 PolarHBondContact O-N 2.91Å; K454-F456 VanDerWaalsContact C-N 3.31Å; F456-G458 VanDerWaalsContact C-N 3.27Å; F456-G458 PolarHBondContact O-N 3.43Å
457	S	32.6	Very low	35.7	Very low	80 Å²	80	121 Å²	121	56%	0.559	67%	0.669	S	S	*	*	S	Bend	trans	-75.7	86.1	162.6	167.9	0	0	0	0	108	G453 N459	G453-S457 WeakPolarHBondContact O-CB 3.46Å; G453-S457 PolarHBondContact O-N 2.85Å; S457-N459 PolarHBondContact O-N 2.9Å; S457-N459 VanDerWaalsContact O-N 3.08Å
458	G	30.6	Very low	34.3	Very low	65 Å²	65	124.4 Å²	124.4	67%	0.67	68%	0.679	S	S	*	*			trans	-54.7	111.3	174.6	0	0	0	0	0	110.6	F456 D460	F456-G458 VanDerWaalsContact C-N 3.27Å; F456-G458 PolarHBondContact O-N 3.43Å; G458-D460 PolarHBondContact O-N 3.4Å
459	N	32.7	Very low	33	Very low	133 Å²	133	125.3 Å²	125.3	71%	0.711	69%	0.685	S	S	*	*			trans	-81.3	106.4	160	-117.5	48.1	0	0	0	106.2	S457 D461	S457-N459 PolarHBondContact O-N 2.9Å; S457-N459 VanDerWaalsContact O-N 3.08Å; N459-D461 VanDerWaalsContact C-N 3.32Å; N459-D461 PolarHBondContact ND2-OD2 3.22Å; N459-D461 PolarHBondContact O-N 3.4Å
460	D	27.5	Very low	32	Very low	157 Å²	157	126.5 Å²	126.5	84%	0.84	69%	0.69	S	S	*	*			trans	-61.8	93.2	162.9	-71.8	-40.6	0	0	0	108.3	G458	G458-D460 PolarHBondContact O-N 3.4Å
461	D	31	Very low	30.9	Very low	134 Å²	134	123.2 Å²	123.2	72%	0.717	69%	0.692	S	S	*	*			trans	-131.1	103.9	164.3	-77.9	-49.5	0	0	0	109.6	N459	N459-D461 VanDerWaalsContact C-N 3.32Å; N459-D461 PolarHBondContact ND2-OD2 3.22Å; N459-D461 PolarHBondContact O-N 3.4Å
462	S	24.9	Very low	30	Very low	103 Å²	103	130.8 Å²	130.8	72%	0.72	72%	0.715	S	S	*	*			trans	-56.2	149.8	177.6	51.4	0	0	0	0	114.5
463	S	24.7	Very low	29.3	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	74%	0.737	S	S	*	*			trans	89.7	132.1	136.2	76.6	0	0	0	0	120.3
464	A	24	Very low	28.5	Very low	90 Å²	90	143 Å²	143	74%	0.744	76%	0.755	S	S	*	*			trans	87.9	101	138.8	0	0	0	0	0	119.4
465	M	22.3	Very low	27.9	Very low	178 Å²	178	141.8 Å²	141.8	88%	0.877	76%	0.76	S	S	*	*				91.1	119	118.9	-150.2	87.5	105.1	0	0	118
466	S	22.2	Very low	27.5	Very low	98 Å²	98	143.6 Å²	143.6	69%	0.685	77%	0.771	S	S	*	*			trans	-50.7	144.2	167.9	61.4	0	0	0	0	114.3
467	L	25.6	Very low	26.8	Very low	183 Å²	183	142.9 Å²	142.9	96%	0.958	77%	0.773	S	S	*	*			trans	-142.5	137.8	140.4	-132.7	95.6	0	0	0	109.7
468	K	22.1	Very low	26.6	Very low	174 Å²	174	146 Å²	146	76%	0.757	78%	0.783	S	S	*	*			trans	-124.2	144.8	-167.6	-145.4	178.1	-169.8	-177	0	105.9
469	H	25.9	Very low	26.4	Very low	148 Å²	148	154.4 Å²	154.4	69%	0.685	79%	0.794	S	S	*	*			trans	81.2	137.5	175.5	-44.9	78.8	0	0	0	114.1
470	H	24.6	Very low	26.2	Very low	180 Å²	180	158.5 Å²	158.5	83%	0.833	81%	0.806	S	S	*	*			cis	-152.8	160.6	39.8	-99.1	-85.5	0	0	0	113.9
471	S	25.2	Very low	26	Very low	94 Å²	94	159.3 Å²	159.3	66%	0.657	81%	0.805	S	S	*	*			trans	-86.4	155.4	172.6	57.9	0	0	0	0	114.2
472	R	27.9	Very low	25.9	Very low	240 Å²	240	160.2 Å²	160.2	91%	0.906	81%	0.81	S	S	*	*			trans	75.4	96.9	155.9	-73.2	178.4	169.4	163.8	-3.1	117.8
473	L	26.6	Very low	26.1	Very low	174 Å²	174	161 Å²	161	91%	0.911	82%	0.815	S	S	*	*				-140	122.4	126	-94.9	168.8	0	0	0	108.5
474	R	26	Very low	26	Very low	232 Å²	232	162.7 Å²	162.7	88%	0.875	82%	0.821	S	S	*	*			trans	-127.9	85.8	-176.1	175.6	-166.4	-157.9	171.7	7.9	105.4
475	T	29.8	Very low	26.2	Very low	118 Å²	118	161.7 Å²	161.7	72%	0.724	82%	0.819	S	S	*	*			trans	-161	12.1	167.1	38.6	0	0	0	0	115.6
476	D	31.2	Very low	26.3	Very low	169 Å²	169	158.7 Å²	158.7	90%	0.904	82%	0.816	S	S	*	*			trans	-101.8	25.1	175.3	-72.7	-10.7	0	0	0	113.7	L478	D476-L478 PolarHBondContact O-N 3.37Å
477	L	26	Very low	26.5	Very low	140 Å²	140	159.4 Å²	159.4	73%	0.733	82%	0.821	S	S	*	*			trans	-81.3	113.1	167.8	-100.7	155.6	0	0	0	109.3
478	L	27.6	Very low	26.5	Very low	146 Å²	146	155.3 Å²	155.3	76%	0.764	81%	0.808	S	S	*	*	S	Bend	trans	90.6	73.7	140.8	-53.3	164.1	0	0	0	118.6	D476	D476-L478 PolarHBondContact O-N 3.37Å
479	R	26.4	Very low	26.6	Very low	241 Å²	241	155.7 Å²	155.7	91%	0.909	81%	0.81	S	S	*	*			trans	-154.1	26.7	145.3	-121.2	-179.9	-143.2	-167.8	6.5	119
480	F	28.1	Very low	26.6	Very low	220 Å²	220	159.3 Å²	159.3	97%	0.965	82%	0.819	S	S	*	*			trans	-114.7	75.4	156.1	-89.6	-80.2	0	0	0	109.7
481	Q	24.5	Very low	26.8	Very low	173 Å²	173	157.4 Å²	157.4	81%	0.808	82%	0.819	S	S	*	*			trans	-72.4	147.7	147.6	-81.9	-179.8	-59.1	0	0	108
482	N	27.3	Very low	27.3	Very low	154 Å²	154	160.5 Å²	160.5	82%	0.824	82%	0.824	S	S	*	*			trans	105	79.6	167.2	-52.1	-18.5	0	0	0	115.9
483	S	29.3	Very low	27.7	Very low	118 Å²	118	159.3 Å²	159.3	83%	0.825	82%	0.819	S	S	*	*			trans	-137.7	96.8	130.4	67.4	0	0	0	0	109	G485	S483-G485 PolarHBondContact O-N 3.45Å
484	T	22.9	Very low	28.3	Very low	146 Å²	146	157.6 Å²	157.6	90%	0.896	81%	0.811	S	S	*	*			trans	-52.8	109.4	162	42.9	0	0	0	0	109.5
485	G	29.1	Very low	29	Very low	69 Å²	69	153 Å²	153	71%	0.711	80%	0.804	S	S	*	*			trans	-140.9	116.6	176.6	0	0	0	0	0	109.6	S483	S483-G485 PolarHBondContact O-N 3.45Å
486	S	23.7	Very low	29.8	Very low	116 Å²	116	152.5 Å²	152.5	81%	0.811	80%	0.796	S	S	*	*			trans	-40.3	135.4	176.5	52.3	0	0	0	0	115.9
487	S	25.8	Very low	30.4	Very low	112 Å²	112	153.5 Å²	153.5	78%	0.783	79%	0.787	S	S	*	*				158.2	119.1	115.7	64.1	0	0	0	0	113.1
488	S	26.1	Very low	31.5	Very low	97 Å²	97	151.8 Å²	151.8	68%	0.678	78%	0.778	S	S	*	*			trans	54	109.9	133.7	-167.2	0	0	0	0	121.2
489	F	25.5	Very low	32.4	Very low	182 Å²	182	151.9 Å²	151.9	80%	0.798	77%	0.773	S	S	*	*			trans	55.6	76.7	137.8	-90	-96.5	0	0	0	119.7
490	Y	24.4	Very low	33.5	Very low	225 Å²	225	143.6 Å²	143.6	88%	0.882	75%	0.751	S	S	*	*			trans	-133.3	62.5	158.2	-91.6	-86.4	0	0	0	111.6
491	V	30.2	Very low	34.6	Very low	139 Å²	139	138 Å²	138	84%	0.842	73%	0.731	S	S	*	*	S	Bend	trans	-132.7	-7.3	170.1	-178.3	0	0	0	0	113.8	R493	V491-R493 PolarHBondContact O-N 2.94Å
492	Q	35.8	Very low	35.7	Very low	159 Å²	159	140 Å²	140	74%	0.743	73%	0.731	S	S	*	*	S	Bend	trans	-99	31.6	-172.7	-158.5	117.6	-9.9	0	0	115.9
493	R	35	Very low	37	Very low	216 Å²	216	137.1 Å²	137.1	82%	0.815	72%	0.715	S	S	*	*	S	Bend	trans	-111.6	-14.3	-177.9	-154.2	164.2	175.9	168.3	-2.8	116.4	V491	V491-R493 PolarHBondContact O-N 2.94Å
494	N	39.4	Very low	38.5	Very low	137 Å²	137	134.4 Å²	134.4	73%	0.733	69%	0.694	S	S	*	*	H	α-helix	trans	-88.7	-15.4	-176.3	-108.7	17.9	0	0	0	116.1
495	N	41	Very low	40.1	Very low	137 Å²	137	132.7 Å²	132.7	73%	0.733	68%	0.678	S	S	*	*	H	α-helix	trans	-87	-24.3	-179.8	-76.3	-8.6	0	0	0	113.9	F499	N495-F499 PolarHBondContact O-N 2.86Å
496	I	47	Very low	41.3	Very low	107 Å²	107	132.7 Å²	132.7	55%	0.549	67%	0.666	S	S	.	*	H	α-helix	trans	-72.3	-37.6	-178.8	-67.9	162.3	0	0	0	110.9	N498 F499 C500	I496-N498 PolarHBondContact O-N 3.25Å; I496-F499 PolarHBondContact O-N 2.91Å; I496-C500 PolarHBondContact O-N 3.35Å; I496-C500 PolarHBondContact O-SG 2.91Å; I496-C500 VanDerWaalsContact O-SG 3.37Å
497	W	44.1	Very low	43.1	Very low	189 Å²	189	132.3 Å²	132.3	72%	0.716	65%	0.654	S	S	*	*	H	α-helix	trans	-65	-40.2	-179.4	-156.9	-89.7	0	0	0	112.4	C500 L501	W497-C500 PolarHBondContact O-N 2.93Å; W497-L501 PolarHBondContact O-N 3.5Å
498	N	47.8	Very low	44.9	Very low	105 Å²	105	132.4 Å²	132.4	56%	0.561	65%	0.645	S	S	*	*	H	α-helix	trans	-70.4	-32.9	177.3	-78.2	-17.7	0	0	0	112.8	I496 R502	I496-N498 PolarHBondContact O-N 3.25Å; N498-R502 PolarHBondContact O-N 3.3Å; N498-R502 VanDerWaalsContact O-N 3.15Å
499	F	46.5	Very low	46.7	Very low	147 Å²	147	132.9 Å²	132.9	65%	0.645	64%	0.639	S	S	*	*	H	α-helix	trans	-70.9	-40.4	175.7	-149.4	-94.3	0	0	0	111.3	N495 I496 R502 L503	N495-F499 PolarHBondContact O-N 2.86Å; I496-F499 PolarHBondContact O-N 2.91Å; F499-R502 PolarHBondContact O-N 2.88Å; F499-L503 HydrophobicContact CD1-CD1 3.76Å; F499-L503 HydrophobicContact CE1-CD1 3.58Å; F499-L503 PolarHBondContact O-N 3.03Å
500	C	49.9	Very low	48.7	Very low	68 Å²	68	129 Å²	129	46%	0.459	63%	0.626	S	S	.	*	H	α-helix	trans	-64.5	-42.8	173.8	-70.4	0	0	0	0	111.9	I496 W497 R502 L503 V504	I496-C500 PolarHBondContact O-N 3.35Å; I496-C500 PolarHBondContact O-SG 2.91Å; I496-C500 VanDerWaalsContact O-SG 3.37Å; W497-C500 PolarHBondContact O-N 2.93Å; C500-R502 VanDerWaalsContact C-N 3.33Å; C500-R502 PolarHBondContact O-N 3.02Å; C500-L503 PolarHBondContact O-N 2.68Å; C500-V504 VanDerWaalsContact O-CB 3.31Å; C500-V504 WeakPolarHBondContact O-CB 3.41Å; C500-V504 WeakPolarHBondContact O-CG2 3.26Å; C500-V504 PolarHBondContact O-N 3.16Å
501	L	50.5	Low	50.8	Low	103 Å²	103	125 Å²	125	54%	0.539	61%	0.614	S	S	.	*	H	α-helix	trans	-64.3	-38.4	178.9	-127.5	101.7	0	0	0	112.3	W497 L503 L505	W497-L501 PolarHBondContact O-N 3.5Å; L501-L503 VanDerWaalsContact C-N 3.35Å; L501-L503 PolarHBondContact O-N 3.17Å; L501-L505 WeakPolarHBondContact O-CB 3.4Å; L501-L505 PolarHBondContact O-N 3.46Å
502	R	48	Very low	52.6	Low	213 Å²	213	121.4 Å²	121.4	80%	0.804	59%	0.593	S	S	*	*	H	α-helix	trans	-70.1	-26.4	178.6	-82	-173	175.9	-169.8	-0.5	114.1	N498 F499 C500 P506	N498-R502 PolarHBondContact O-N 3.3Å; N498-R502 VanDerWaalsContact O-N 3.15Å; F499-R502 PolarHBondContact O-N 2.88Å; C500-R502 VanDerWaalsContact C-N 3.33Å; C500-R502 PolarHBondContact O-N 3.02Å; R502-P506 WeakPolarHBondContact O-CD 3.4Å; R502-P506 WeakPolarHBondContact O-CG 3.41Å
503	L	54.2	Low	53.9	Low	94 Å²	94	117.4 Å²	117.4	49%	0.492	58%	0.576	S	S	.	*	H	α-helix	trans	-90.2	-37.2	176.8	-89.6	161.6	0	0	0	112.9	F499 C500 L501 P506 L507	F499-L503 HydrophobicContact CD1-CD1 3.76Å; F499-L503 HydrophobicContact CE1-CD1 3.58Å; F499-L503 PolarHBondContact O-N 3.03Å; C500-L503 PolarHBondContact O-N 2.68Å; L501-L503 VanDerWaalsContact C-N 3.35Å; L501-L503 PolarHBondContact O-N 3.17Å; L503-P506 WeakPolarHBondContact O-CD 3.27Å; L503-P506 WeakPolarHBondContact O-CG 3.23Å; L503-L507 PolarHBondContact O-N 3.48Å
504	V	61.6	Low	55.4	Low	62 Å²	62	111.6 Å²	111.6	38%	0.376	56%	0.561	S	S	.	*	H	α-helix	trans	-72.1	-37.1	-176.6	173.8	0	0	0	0	111.6	C500 L507 L508	C500-V504 VanDerWaalsContact O-CB 3.31Å; C500-V504 WeakPolarHBondContact O-CB 3.41Å; C500-V504 WeakPolarHBondContact O-CG2 3.26Å; C500-V504 PolarHBondContact O-N 3.16Å; V504-L507 PolarHBondContact O-N 2.82Å; V504-L508 HydrophobicContact CG1-CD1 4.03Å; V504-L508 HydrophobicContact CG1-CG 4.48Å; V504-L508 WeakPolarHBondContact O-CB 3.34Å; V504-L508 PolarHBondContact O-N 3.39Å
505	L	56.8	Low	56.5	Low	109 Å²	109	109.2 Å²	109.2	57%	0.571	55%	0.548	S	S	*	.	H	α-helix	trans	-63.6	-47.8	-179.4	-160.1	74.2	0	0	0	113.8	L501 L507 L508 I509	L501-L505 WeakPolarHBondContact O-CB 3.4Å; L501-L505 PolarHBondContact O-N 3.46Å; L505-L507 PolarHBondContact O-N 2.99Å; L505-L508 PolarHBondContact O-N 3.31Å; L505-I509 WeakPolarHBondContact O-CG1 3.33Å; L505-I509 PolarHBondContact O-N 3.2Å
506	P	53.7	Low	57.5	Low	70 Å²	70	107.5 Å²	107.5	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-67.6	-33.6	175.5	23.7	-31.7	0	0	0	112.5	R502 L503 I509 L510	R502-P506 WeakPolarHBondContact O-CD 3.4Å; R502-P506 WeakPolarHBondContact O-CG 3.41Å; L503-P506 WeakPolarHBondContact O-CD 3.27Å; L503-P506 WeakPolarHBondContact O-CG 3.23Å; P506-I509 PolarHBondContact O-N 2.94Å; P506-L510 WeakPolarHBondContact O-CB 3.32Å; P506-L510 PolarHBondContact O-N 2.97Å
507	L	60.6	Low	57.8	Low	107 Å²	107	106.4 Å²	106.4	56%	0.56	53%	0.532	S	S	*	.	H	α-helix	trans	-65	-38.4	174.8	-89.7	159.2	0	0	0	112.4	L503 V504 L505 I509 L510 F511	L503-L507 PolarHBondContact O-N 3.48Å; V504-L507 PolarHBondContact O-N 2.82Å; L505-L507 PolarHBondContact O-N 2.99Å; L507-I509 PolarHBondContact O-N 3.48Å; L507-L510 PolarHBondContact O-N 3.22Å; L507-F511 WeakPolarHBondContact O-CB 3.33Å; L507-F511 PolarHBondContact O-N 3.36Å; L507-F511 VanDerWaalsContact O-N 3.1Å
508	L	65.5	Low	58.3	Low	114 Å²	114	100.5 Å²	100.5	60%	0.597	52%	0.52	S	S	*	.	H	α-helix	trans	-65.5	-24.4	173.8	-90.4	170.2	0	0	0	113.6	V504 L505 P512	V504-L508 HydrophobicContact CG1-CD1 4.03Å; V504-L508 HydrophobicContact CG1-CG 4.48Å; V504-L508 WeakPolarHBondContact O-CB 3.34Å; V504-L508 PolarHBondContact O-N 3.39Å; L505-L508 PolarHBondContact O-N 3.31Å; L508-P512 WeakPolarHBondContact O-CD 3.32Å; L508-P512 WeakPolarHBondContact O-CG 3.35Å
509	I	63.5	Low	58.5	Low	108 Å²	108	101.3 Å²	101.3	55%	0.554	52%	0.524	S	S	*	.	H	α-helix	trans	-90.2	-37.6	177.1	-63.3	166.3	0	0	0	110.9	L505 P506 L507 P512 L513	L505-I509 WeakPolarHBondContact O-CG1 3.33Å; L505-I509 PolarHBondContact O-N 3.2Å; P506-I509 PolarHBondContact O-N 2.94Å; L507-I509 PolarHBondContact O-N 3.48Å; I509-P512 VanDerWaalsContact O-CD 3.31Å; I509-P512 WeakPolarHBondContact O-CD 3.49Å; I509-P512 VanDerWaalsContact O-CG 3.32Å; I509-P512 WeakPolarHBondContact O-CG 3.43Å; I509-L513 PolarHBondContact O-N 3.49Å
510	L	68	Low	58.6	Low	100 Å²	100	100.7 Å²	100.7	52%	0.524	53%	0.526	S	S	.	.	H	α-helix	trans	-69.5	-36.2	-178.8	-158.3	100.2	0	0	0	111.9	P506 L507 L513 L514	P506-L510 WeakPolarHBondContact O-CB 3.32Å; P506-L510 PolarHBondContact O-N 2.97Å; L507-L510 PolarHBondContact O-N 3.22Å; L510-L513 PolarHBondContact O-N 2.71Å; L510-L514 HydrophobicContact CD2-CD1 3.72Å; L510-L514 HydrophobicContact CG-CD1 4.16Å; L510-L514 WeakPolarHBondContact O-CB 3.46Å; L510-L514 PolarHBondContact O-N 3.03Å
511	F	67.8	Low	58.6	Low	142 Å²	142	105.3 Å²	105.3	62%	0.623	54%	0.539	S	S	*	.	H	α-helix	trans	-64.9	-47.5	-178.7	-154.8	-91.7	0	0	0	114.3	L507 L513 L514 L515	L507-F511 WeakPolarHBondContact O-CB 3.33Å; L507-F511 PolarHBondContact O-N 3.36Å; L507-F511 VanDerWaalsContact O-N 3.1Å; F511-L513 VanDerWaalsContact C-N 3.28Å; F511-L513 PolarHBondContact O-N 3.46Å; F511-L514 PolarHBondContact O-N 3.12Å; F511-L515 HydrophobicContact CD1-CD1 3.95Å; F511-L515 HydrophobicContact CD1-CG 4.49Å; F511-L515 HydrophobicContact CE1-CD1 3.87Å; F511-L515 HydrophobicContact CE1-CG 4.36Å; F511-L515 PolarHBondContact O-N 2.86Å
512	P	67.6	Low	58.1	Low	62 Å²	62	102.6 Å²	102.6	40%	0.403	53%	0.531	S	S	.	.	H	α-helix	trans	-65.7	-32.2	173.3	23.2	-31.2	0	0	0	111.9	L508 I509 L515 I516	L508-P512 WeakPolarHBondContact O-CD 3.32Å; L508-P512 WeakPolarHBondContact O-CG 3.35Å; I509-P512 VanDerWaalsContact O-CD 3.31Å; I509-P512 WeakPolarHBondContact O-CD 3.49Å; I509-P512 VanDerWaalsContact O-CG 3.32Å; I509-P512 WeakPolarHBondContact O-CG 3.43Å; P512-L515 PolarHBondContact O-N 3.5Å; P512-I516 WeakPolarHBondContact O-CB 3.49Å; P512-I516 WeakPolarHBondContact O-CD1 3.38Å; P512-I516 WeakPolarHBondContact O-CG1 3.32Å; P512-I516 PolarHBondContact O-N 3.42Å
513	L	63.8	Low	57.8	Low	75 Å²	75	98.6 Å²	98.6	39%	0.393	53%	0.532	S	S	.	.	H	α-helix	trans	-68.1	-40.3	176.6	-161.6	127.6	0	0	0	111.9	I509 L510 F511 I516 L517 F988	I509-L513 PolarHBondContact O-N 3.49Å; L510-L513 PolarHBondContact O-N 2.71Å; F511-L513 VanDerWaalsContact C-N 3.28Å; F511-L513 PolarHBondContact O-N 3.46Å; L513-I516 PolarHBondContact O-N 3.12Å; L513-L517 WeakPolarHBondContact O-CB 3.43Å; L513-L517 PolarHBondContact O-N 3.28Å; L513-F988 HydrophobicContact CD1-CE2 4.27Å; L513-F988 HydrophobicContact CD1-CZ 3.96Å
514	L	65.3	Low	56.9	Low	95 Å²	95	99.6 Å²	99.6	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-66.6	-39	171.7	-93.5	156.3	0	0	0	112.4	L510 F511 L517 S518	L510-L514 HydrophobicContact CD2-CD1 3.72Å; L510-L514 HydrophobicContact CG-CD1 4.16Å; L510-L514 WeakPolarHBondContact O-CB 3.46Å; L510-L514 PolarHBondContact O-N 3.03Å; F511-L514 PolarHBondContact O-N 3.12Å; L514-L517 PolarHBondContact O-N 2.93Å; L514-S518 WeakPolarHBondContact O-CB 3.33Å; L514-S518 PolarHBondContact O-N 3.46Å; L514-S518 PolarHBondContact O-OG 3.08Å
515	L	63.2	Low	55.6	Low	86 Å²	86	103.6 Å²	103.6	45%	0.45	56%	0.562	S	S	.	*	H	α-helix	trans	-62	-44.7	172.6	-92.3	169.9	0	0	0	111.1	F511 P512 L517 S518 L519	F511-L515 HydrophobicContact CD1-CD1 3.95Å; F511-L515 HydrophobicContact CD1-CG 4.49Å; F511-L515 HydrophobicContact CE1-CD1 3.87Å; F511-L515 HydrophobicContact CE1-CG 4.36Å; F511-L515 PolarHBondContact O-N 2.86Å; P512-L515 PolarHBondContact O-N 3.5Å; L515-L517 VanDerWaalsContact C-N 3.34Å; L515-L517 PolarHBondContact O-N 3.48Å; L515-S518 WeakPolarHBondContact CA-OG 3.5Å; L515-S518 PolarHBondContact O-N 2.92Å; L515-S518 PolarHBondContact O-OG 3.2Å; L515-L519 PolarHBondContact O-N 3.06Å
516	I	61.9	Low	54.4	Low	102 Å²	102	106.1 Å²	106.1	52%	0.523	58%	0.575	S	S	.	*	H	α-helix	trans	-60.5	-44.5	174.5	-71.2	162.3	0	0	0	110.5	P512 L513 S518 L519 L520	P512-I516 WeakPolarHBondContact O-CB 3.49Å; P512-I516 WeakPolarHBondContact O-CD1 3.38Å; P512-I516 WeakPolarHBondContact O-CG1 3.32Å; P512-I516 PolarHBondContact O-N 3.42Å; L513-I516 PolarHBondContact O-N 3.12Å; I516-S518 VanDerWaalsContact C-N 3.35Å; I516-S518 PolarHBondContact O-N 3.21Å; I516-L519 PolarHBondContact O-N 3.06Å; I516-L520 HydrophobicContact CG2-CD1 4.15Å; I516-L520 WeakPolarHBondContact O-CB 3.01Å; I516-L520 PolarHBondContact O-N 3.34Å
517	L	53.5	Low	53.6	Low	84 Å²	84	106.7 Å²	106.7	44%	0.44	58%	0.581	S	S	.	*	H	α-helix	trans	-61.8	-43	176.4	-132.6	82.1	0	0	0	111.4	L513 L514 L515 L519 L520 F521	L513-L517 WeakPolarHBondContact O-CB 3.43Å; L513-L517 PolarHBondContact O-N 3.28Å; L514-L517 PolarHBondContact O-N 2.93Å; L515-L517 VanDerWaalsContact C-N 3.34Å; L515-L517 PolarHBondContact O-N 3.48Å; L517-L519 VanDerWaalsContact C-N 3.3Å; L517-L519 PolarHBondContact O-N 2.93Å; L517-L520 WeakPolarHBondContact O-CB 3.35Å; L517-L520 PolarHBondContact O-N 3.48Å; L517-F521 HydrophobicContact CD2-CE2 4.2Å; L517-F521 HydrophobicContact CG-CD2 4.15Å; L517-F521 HydrophobicContact CG-CE2 3.99Å; L517-F521 VanDerWaalsContact O-CD2 3.24Å; L517-F521 WeakPolarHBondContact O-CD2 3.47Å; L517-F521 PolarHBondContact O-N 2.98Å
518	S	53.7	Low	52.3	Low	64 Å²	64	107.3 Å²	107.3	45%	0.448	59%	0.585	S	S	.	*	H	α-helix	trans	-65.5	-33	177.6	75.7	0	0	0	0	112.7	L514 L515 I516 A522	L514-S518 WeakPolarHBondContact O-CB 3.33Å; L514-S518 PolarHBondContact O-N 3.46Å; L514-S518 PolarHBondContact O-OG 3.08Å; L515-S518 WeakPolarHBondContact CA-OG 3.5Å; L515-S518 PolarHBondContact O-N 2.92Å; L515-S518 PolarHBondContact O-OG 3.2Å; I516-S518 VanDerWaalsContact C-N 3.35Å; I516-S518 PolarHBondContact O-N 3.21Å; S518-A522 VanDerWaalsContact O-CB 3.29Å; S518-A522 WeakPolarHBondContact O-CB 3.45Å; S518-A522 PolarHBondContact O-N 3.33Å
519	L	52	Low	50.7	Low	123 Å²	123	110.2 Å²	110.2	64%	0.644	60%	0.601	S	S	*	*	H	α-helix	trans	-73	-35.5	172.8	-100.9	126.2	0	0	0	112	L515 I516 L517 A522	L515-L519 PolarHBondContact O-N 3.06Å; I516-L519 PolarHBondContact O-N 3.06Å; L517-L519 VanDerWaalsContact C-N 3.3Å; L517-L519 PolarHBondContact O-N 2.93Å; L519-A522 PolarHBondContact O-N 3.3Å
520	L	50.3	Low	49.1	Very low	133 Å²	133	109.9 Å²	109.9	70%	0.696	61%	0.608	S	S	*	*	H	α-helix	trans	-67.8	-36.1	176	-115.2	147	0	0	0	112.1	I516 L517	I516-L520 HydrophobicContact CG2-CD1 4.15Å; I516-L520 WeakPolarHBondContact O-CB 3.01Å; I516-L520 PolarHBondContact O-N 3.34Å; L517-L520 WeakPolarHBondContact O-CB 3.35Å; L517-L520 PolarHBondContact O-N 3.48Å
521	F	49.1	Very low	47.1	Very low	166 Å²	166	109.4 Å²	109.4	73%	0.728	61%	0.613	S	S	*	*	S	Bend	trans	-94.2	1.6	176	-70.8	-69.1	0	0	0	113.6	L517 P523	L517-F521 HydrophobicContact CD2-CE2 4.2Å; L517-F521 HydrophobicContact CG-CD2 4.15Å; L517-F521 HydrophobicContact CG-CE2 3.99Å; L517-F521 VanDerWaalsContact O-CD2 3.24Å; L517-F521 WeakPolarHBondContact O-CD2 3.47Å; L517-F521 PolarHBondContact O-N 2.98Å; F521-P523 WeakPolarHBondContact O-CD 3.15Å
522	A	40.4	Very low	45	Very low	45 Å²	45	110.9 Å²	110.9	37%	0.372	63%	0.627	S	S	.	*	S	Bend	trans	-73.6	122.3	171	0	0	0	0	0	108.4	S518 L519 T524	S518-A522 VanDerWaalsContact O-CB 3.29Å; S518-A522 WeakPolarHBondContact O-CB 3.45Å; S518-A522 PolarHBondContact O-N 3.33Å; L519-A522 PolarHBondContact O-N 3.3Å; A522-T524 PolarHBondContact O-N 2.88Å
523	P	41	Very low	43	Very low	129 Å²	129	116.3 Å²	116.3	84%	0.838	64%	0.644	S	S	*	*			trans	-63	105.2	176.3	24.8	-31.4	0	0	0	108.7	F521 D525	F521-P523 WeakPolarHBondContact O-CD 3.15Å; P523-D525 VanDerWaalsContact C-N 3.34Å; P523-D525 PolarHBondContact O-N 2.91Å
524	T	36.4	Very low	41.3	Very low	116 Å²	116	119.6 Å²	119.6	71%	0.712	66%	0.661	S	S	*	*			trans	-73.6	92	173.3	52.8	0	0	0	0	108	A522 L526	A522-T524 PolarHBondContact O-N 2.88Å; T524-L526 VanDerWaalsContact C-N 3.31Å; T524-L526 PolarHBondContact O-N 3.37Å
525	D	32.8	Very low	39.9	Very low	145 Å²	145	123.1 Å²	123.1	78%	0.775	67%	0.673	S	S	*	*			trans	-73.1	92.1	170.8	-143.9	-4.3	0	0	0	107.5	P523 S527	P523-D525 VanDerWaalsContact C-N 3.34Å; P523-D525 PolarHBondContact O-N 2.91Å; D525-S527 PolarHBondContact O-N 3.38Å
526	L	31.8	Very low	38.6	Very low	162 Å²	162	123.8 Å²	123.8	85%	0.848	68%	0.682	S	S	*	*			trans	-77.4	59.1	-175.9	-150.7	92.1	0	0	0	109.9	T524	T524-L526 VanDerWaalsContact C-N 3.31Å; T524-L526 PolarHBondContact O-N 3.37Å
527	S	37.3	Very low	37.3	Very low	82 Å²	82	129 Å²	129	57%	0.573	70%	0.701	S	S	*	*			trans	-109.3	97.3	174	64.3	0	0	0	0	110.4	D525	D525-S527 PolarHBondContact O-N 3.38Å
528	N	32.7	Very low	36.7	Very low	120 Å²	120	129.6 Å²	129.6	64%	0.642	70%	0.701	S	S	*	*	S	Bend	trans	19.1	112.6	160	-66.5	-19.3	0	0	0	119.2	S530	N528-S530 PolarHBondContact O-N 3.39Å; N528-S530 VanDerWaalsContact O-N 3.12Å
529	N	32.9	Very low	36.9	Very low	176 Å²	176	129.5 Å²	129.5	94%	0.941	70%	0.7	S	S	*	*			trans	51.2	39.5	143.7	-68	-4.3	0	0	0	118.3
530	S	29.2	Very low	37.2	Very low	100 Å²	100	126.1 Å²	126.1	70%	0.699	68%	0.682	S	S	*	*			trans	-106	115.4	155.1	55.6	0	0	0	0	108.8	N528 L532	N528-S530 PolarHBondContact O-N 3.39Å; N528-S530 VanDerWaalsContact O-N 3.12Å; S530-L532 PolarHBondContact O-N 3.36Å
531	S	26.2	Very low	38.1	Very low	90 Å²	90	123.3 Å²	123.3	63%	0.629	67%	0.674	S	S	*	*			trans	-30.4	130.1	170.9	51.7	0	0	0	0	112	K533	S531-K533 VanDerWaalsContact C-N 3.32Å; S531-K533 PolarHBondContact O-N 2.93Å
532	L	25	Very low	38.8	Very low	174 Å²	174	119.9 Å²	119.9	91%	0.911	66%	0.664	S	S	*	*			trans	-40.3	92.6	172.6	-86.1	91.2	0	0	0	110.7	S530 L534	S530-L532 PolarHBondContact O-N 3.36Å; L532-L534 PolarHBondContact O-N 3.26Å; L532-L534 VanDerWaalsContact O-N 3.12Å
533	K	24.7	Very low	39.9	Very low	176 Å²	176	118.1 Å²	118.1	77%	0.765	65%	0.648	S	S	*	*			trans	-87.7	79.7	167.9	-77.6	-174.1	179.6	179.8	0	106.2	S531 F535	S531-K533 VanDerWaalsContact C-N 3.32Å; S531-K533 PolarHBondContact O-N 2.93Å; K533-F535 PolarHBondContact O-N 2.88Å
534	L	28.4	Very low	41.4	Very low	143 Å²	143	114.4 Å²	114.4	75%	0.749	62%	0.623	S	S	*	*			trans	-45	109.2	160.4	-169.1	73.8	0	0	0	107.5	L532	L532-L534 PolarHBondContact O-N 3.26Å; L532-L534 VanDerWaalsContact O-N 3.12Å
535	F	35.7	Very low	42.9	Very low	169 Å²	169	118.6 Å²	118.6	74%	0.741	63%	0.627	S	S	*	*			trans	35.5	95.5	172.8	-57.9	-76.9	0	0	0	115.7	K533 F537	K533-F535 PolarHBondContact O-N 2.88Å; F535-F537 PolarHBondContact O-N 3.45Å
536	P	35.7	Very low	44.4	Very low	100 Å²	100	114.4 Å²	114.4	65%	0.649	60%	0.603	S	S	*	*			trans	-63.3	113.8	172.4	28	-30.2	0	0	0	108.1	F538	P536-F538 PolarHBondContact O-N 3.31Å
537	F	34.6	Very low	46.2	Very low	211 Å²	211	107.9 Å²	107.9	93%	0.925	57%	0.569	S	S	*	*			trans	-51.6	112.4	171	-69.9	-87.8	0	0	0	108.7	F535	F535-F537 PolarHBondContact O-N 3.45Å
538	F	41.5	Very low	47.7	Very low	97 Å²	97	109.2 Å²	109.2	43%	0.425	58%	0.578	S	S	.	*			trans	-60.9	136	180	-100.9	-98.8	0	0	0	110.9	P536 L568	P536-F538 PolarHBondContact O-N 3.31Å; F538-L568 HydrophobicContact CE2-CD2 4.29Å
539	S	56.9	Low	49.5	Very low	62 Å²	62	107.5 Å²	107.5	43%	0.434	57%	0.566	S	S	.	*			trans	-74.2	134.2	172.4	58.7	0	0	0	0	110.5	S541 N542	S539-S541 PolarHBondContact O-N 3.21Å; S539-S541 VanDerWaalsContact O-N 3.11Å; S539-N542 PolarHBondContact O-N 2.92Å
540	D	59.6	Low	51.4	Low	52 Å²	52	104.3 Å²	104.3	28%	0.278	56%	0.555	S	S	.	*	H	α-helix	trans	-61.9	-22	-176	-65.7	-29.9	0	0	0	112.6	T544 R551 K564	D540-T544 PolarHBondContact O-N 2.99Å; D540-R551 IonicContact OD2-CZ 3.7Å; D540-R551 IonicContact OD2-NH1 2.66Å; D540-R551 PolarHBondContact OD2-NH1 3.34Å; D540-K564 WeakPolarHBondContact OD1-CE 3.46Å; D540-K564 IonicContact OD1-NZ 3.99Å; D540-K564 PolarHBondContact OD1-NZ 3.06Å; D540-K564 IonicContact OD2-NZ 2.75Å
541	S	67.9	Low	53.4	Low	75 Å²	75	104.9 Å²	104.9	52%	0.524	54%	0.542	S	S	.	.	H	α-helix	trans	-68.4	-31.1	179.7	61.5	0	0	0	0	114.6	S539 T544	S539-S541 PolarHBondContact O-N 3.21Å; S539-S541 VanDerWaalsContact O-N 3.11Å; S541-T544 PolarHBondContact O-OG1 2.95Å
542	N	63.3	Low	55.6	Low	94 Å²	94	102.5 Å²	102.5	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-78	-33.4	-179.8	-75.3	9	0	0	0	111.1	S539 Y545 E546	S539-N542 PolarHBondContact O-N 2.92Å; N542-Y545 WeakPolarHBondContact O-CB 3.38Å; N542-Y545 PolarHBondContact O-N 2.85Å; N542-E546 PolarHBondContact O-N 3.3Å; N542-E546 VanDerWaalsContact O-N 3.12Å
543	C	64.8	Low	57.3	Low	8 Å²	8	101.9 Å²	101.9	5%	0.054	52%	0.522	C	S	.	.	H	α-helix	trans	-69.4	-33.2	177.2	-78.8	0	0	0	0	113.1	Y545 E546 L547 W563 C567	C543-Y545 PolarHBondContact O-N 2.83Å; C543-E546 PolarHBondContact O-N 3.34Å; C543-L547 WeakPolarHBondContact O-CB 3.41Å; C543-L547 PolarHBondContact O-N 3.31Å; C543-W563 HydrophobicContact CB-CH2 3.26Å; C543-W563 HydrophobicContact CB-CZ2 3.73Å; C543-W563 HydrophobicContact CB-CZ3 3.71Å; C543-C567 WeakPolarHBondContact CA-SG 3.43Å; C543-C567 HydrophobicContact CB-CB 3.78Å; C543-C567 WeakPolarHBondContact CB-SG 3.46Å; C543-C567 WeakPolarHBondContact SG-CB 3.45Å; C543-C567 CovalentContact SG-SG 2.03Å; C543-C567 PolarHBondContact SG-SG 3.45Å
544	T	71.8	Confident	58.9	Low	51 Å²	51	96 Å²	96	31%	0.313	50%	0.504	S	S	.	.	H	α-helix	trans	-63.9	-31.1	173	45.7	0	0	0	0	112.1	D540 S541 S548 W563	D540-T544 PolarHBondContact O-N 2.99Å; S541-T544 PolarHBondContact O-OG1 2.95Å; T544-S548 WeakPolarHBondContact O-CA 3.3Å; T544-S548 PolarHBondContact O-N 3.48Å; T544-W563 HydrophobicContact CG2-CH2 3.82Å; T544-W563 HydrophobicContact CG2-CZ2 3.59Å
545	Y	67.2	Low	60.1	Low	203 Å²	203	96.1 Å²	96.1	80%	0.796	51%	0.51	S	S	*	.	H	α-helix	trans	-74.3	-46.7	176.5	-173.6	-96.5	0	0	0	111.9	N542 C543 S548	N542-Y545 WeakPolarHBondContact O-CB 3.38Å; N542-Y545 PolarHBondContact O-N 2.85Å; C543-Y545 PolarHBondContact O-N 2.83Å; Y545-S548 PolarHBondContact O-N 3.26Å
546	E	66.1	Low	61.6	Low	57 Å²	57	94.3 Å²	94.3	27%	0.266	50%	0.504	S	S	.	.	H	α-helix	trans	-70.9	-39.4	-177.8	-80.4	-154.7	150.8	0	0	114.7	N542 C543 S548 R571	N542-E546 PolarHBondContact O-N 3.3Å; N542-E546 VanDerWaalsContact O-N 3.12Å; C543-E546 PolarHBondContact O-N 3.34Å; E546-S548 VanDerWaalsContact C-N 3.31Å; E546-R571 WeakPolarHBondContact OE1-CD 3.29Å; E546-R571 IonicContact OE1-CZ 2.71Å; E546-R571 IonicContact OE1-NE 2.84Å; E546-R571 IonicContact OE1-NH1 3.57Å; E546-R571 PolarHBondContact OE1-NH1 2.92Å; E546-R571 WeakPolarHBondContact OE2-CD 3.47Å
547	L	69.6	Low	63	Low	26 Å²	26	96.1 Å²	96.1	14%	0.136	51%	0.507	C	S	.	.	H	α-helix	trans	-82.6	-13.1	178.8	-77.2	159.9	0	0	0	112.3	C543 E549 W563 R566 C567 V570	C543-L547 WeakPolarHBondContact O-CB 3.41Å; C543-L547 PolarHBondContact O-N 3.31Å; L547-E549 HydrophobicContact CB-CB 4.27Å; L547-E549 PolarHBondContact O-N 2.98Å; L547-W563 HydrophobicContact CD1-CD2 4.31Å; L547-W563 HydrophobicContact CD1-CG 4.26Å; L547-W563 WeakPolarHBondContact CD1-O 3.42Å; L547-R566 HydrophobicContact CD1-CB 4.43Å; L547-R566 HydrophobicContact CD2-CB 4.07Å; L547-C567 HydrophobicContact CD1-CB 3.6Å; L547-C567 HydrophobicContact CG-CB 4.37Å; L547-V570 HydrophobicContact CD2-CG2 4.34Å
548	S	67.5	Low	64.1	Low	109 Å²	109	92.6 Å²	92.6	76%	0.762	49%	0.487	S	S	*	.			trans	50.5	17.1	-168.7	63.7	0	0	0	0	114.2	T544 Y545 E546	T544-S548 WeakPolarHBondContact O-CA 3.3Å; T544-S548 PolarHBondContact O-N 3.48Å; Y545-S548 PolarHBondContact O-N 3.26Å; E546-S548 VanDerWaalsContact C-N 3.31Å
549	E	70.5	Confident	65.5	Low	84 Å²	84	91.8 Å²	91.8	39%	0.393	49%	0.487	S	S	.	.			trans	-106.8	131.4	178	-76.2	-179.1	174.6	0	0	109	L547	L547-E549 HydrophobicContact CB-CB 4.27Å; L547-E549 PolarHBondContact O-N 2.98Å
550	P	73.7	Confident	66.1	Low	109 Å²	109	90.8 Å²	90.8	71%	0.708	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-62.9	149.8	170.7	27	-32.5	0	0	0	110.2
551	R	70.4	Confident	66.6	Low	112 Å²	112	92.4 Å²	92.4	42%	0.423	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-54.4	129.9	174.1	177.9	-175.2	179.4	136.3	3.1	109.1	D540 D553 L560	D540-R551 IonicContact OD2-CZ 3.7Å; D540-R551 IonicContact OD2-NH1 2.66Å; D540-R551 PolarHBondContact OD2-NH1 3.34Å; R551-D553 PolarHBondContact O-N 2.94Å; R551-L560 HydrophobicContact CG-CD1 4.02Å
552	P	71.8	Confident	66.8	Low	40 Å²	40	94.9 Å²	94.9	26%	0.26	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-66.9	121.1	176.1	24.2	-31	0	0	0	110.3	S554 N559 W563	P552-S554 PolarHBondContact O-N 2.86Å; P552-N559 HydrophobicContact CB-CB 4.37Å; P552-N559 HydrophobicContact CG-CB 4.3Å; P552-W563 HydrophobicContact CG-CB 4.33Å
553	D	62.5	Low	67.4	Low	161 Å²	161	90.8 Å²	90.8	86%	0.861	46%	0.46	S	S	*	.			trans	-73.7	-0.8	178.4	-71.5	-26.7	0	0	0	113.8	R551	R551-D553 PolarHBondContact O-N 2.94Å
554	S	56.5	Low	67.8	Low	54 Å²	54	94 Å²	94	38%	0.378	47%	0.474	S	S	.	.			trans	-73.5	135	-176	67.9	0	0	0	0	111.9	P552 H556 N559	P552-S554 PolarHBondContact O-N 2.86Å; S554-H556 PolarHBondContact O-N 3.32Å; S554-N559 PolarHBondContact OG-ND2 2.81Å
555	T	55.6	Low	67.6	Low	145 Å²	145	93.6 Å²	93.6	89%	0.89	48%	0.475	S	S	*	.	S	Bend	trans	-56.6	-8.9	175.2	51.2	0	0	0	0	115	I557	T555-I557 PolarHBondContact O-N 3.05Å
556	H	66.1	Low	67.7	Low	130 Å²	130	89.9 Å²	89.9	60%	0.602	46%	0.46	S	S	*	.			trans	-76.5	107.3	175.6	-104.5	-70	0	0	0	111.7	S554 W558 N559	S554-H556 PolarHBondContact O-N 3.32Å; H556-W558 PolarHBondContact O-N 2.7Å; H556-N559 PolarHBondContact O-N 3.17Å
557	I	64.6	Low	68.1	Low	138 Å²	138	87.4 Å²	87.4	71%	0.708	45%	0.449	S	S	*	.	H	α-helix	trans	-47.6	-31	171.8	-62.5	168.3	0	0	0	111.8	T555 L560 F561	T555-I557 PolarHBondContact O-N 3.05Å; I557-L560 PolarHBondContact O-N 2.88Å; I557-F561 WeakPolarHBondContact O-CB 3.28Å; I557-F561 PolarHBondContact O-N 2.7Å
558	W	59.4	Low	67.9	Low	138 Å²	138	90 Å²	90	52%	0.523	46%	0.462	S	S	.	.	H	α-helix	trans	-68.2	-35.4	-179.7	-136.3	-134.3	0	0	0	114.4	Y431 H556 F561 K562	Y431-W558 AromaticContact CD1-CH2 3.89Å; Y431-W558 HydrophobicContact CD1-CH2 3.89Å; Y431-W558 AromaticContact CE1-CH2 3.71Å; Y431-W558 HydrophobicContact CE1-CH2 3.71Å; Y431-W558 HydrophobicContact CE1-CZ3 4.16Å; H556-W558 PolarHBondContact O-N 2.7Å; W558-F561 HydrophobicContact CE3-CB 4.36Å; W558-F561 HydrophobicContact CE3-CD1 4.45Å; W558-F561 HydrophobicContact CH2-CD1 4.47Å; W558-F561 HydrophobicContact CZ3-CD1 4.21Å; W558-F561 HydrophobicContact CZ3-CG 4.45Å; W558-F561 PolarHBondContact O-N 2.96Å; W558-K562 VanDerWaalsContact O-CB 3.27Å; W558-K562 WeakPolarHBondContact O-CB 3.44Å; W558-K562 PolarHBondContact O-N 3.29Å
559	N	69.9	Low	67.8	Low	79 Å²	79	91 Å²	91	42%	0.422	45%	0.45	S	S	.	.	H	α-helix	trans	-70.7	-41.2	176.9	-70.7	-19	0	0	0	110.7	P552 S554 H556 K562 W563	P552-N559 HydrophobicContact CB-CB 4.37Å; P552-N559 HydrophobicContact CG-CB 4.3Å; S554-N559 PolarHBondContact OG-ND2 2.81Å; H556-N559 PolarHBondContact O-N 3.17Å; N559-K562 PolarHBondContact O-N 3.21Å; N559-W563 WeakPolarHBondContact O-CB 3.42Å; N559-W563 PolarHBondContact O-N 3.01Å
560	L	69.8	Low	67.6	Low	42 Å²	42	89.1 Å²	89.1	22%	0.22	44%	0.444	C	S	.	.	H	α-helix	trans	-63.8	-42.6	174.4	-170.8	70.6	0	0	0	111.5	R551 I557 W563 K564	R551-L560 HydrophobicContact CG-CD1 4.02Å; I557-L560 PolarHBondContact O-N 2.88Å; L560-W563 HydrophobicContact CD1-CE3 4.48Å; L560-W563 PolarHBondContact O-N 3.31Å; L560-K564 WeakPolarHBondContact O-CG 3.43Å; L560-K564 PolarHBondContact O-N 3.47Å
561	F	69.4	Low	66.9	Low	86 Å²	86	90.5 Å²	90.5	38%	0.377	44%	0.436	S	S	.	.	H	α-helix	trans	-64.7	-46.4	177.2	-178.3	-98.2	0	0	0	111.9	Y431 I557 W558 W563 K564 A565	Y431-F561 HydrophobicContact CE1-CE1 4.29Å; Y431-F561 HydrophobicContact CE1-CZ 4.05Å; Y431-F561 AromaticContact CZ-CZ 3.95Å; I557-F561 WeakPolarHBondContact O-CB 3.28Å; I557-F561 PolarHBondContact O-N 2.7Å; W558-F561 HydrophobicContact CE3-CB 4.36Å; W558-F561 HydrophobicContact CE3-CD1 4.45Å; W558-F561 HydrophobicContact CH2-CD1 4.47Å; W558-F561 HydrophobicContact CZ3-CD1 4.21Å; W558-F561 HydrophobicContact CZ3-CG 4.45Å; W558-F561 PolarHBondContact O-N 2.96Å; F561-W563 VanDerWaalsContact C-N 3.28Å; F561-W563 PolarHBondContact O-N 3.38Å; F561-K564 PolarHBondContact O-N 3.04Å; F561-A565 WeakPolarHBondContact O-CB 3.33Å; F561-A565 PolarHBondContact O-N 3.44Å
562	K	71.9	Confident	66.2	Low	126 Å²	126	93.1 Å²	93.1	55%	0.548	45%	0.447	S	S	.	.	H	α-helix	trans	-59.7	-39.8	176.9	-171.1	178.9	-179.2	-177.1	0	111.5	W558 N559 R566	W558-K562 VanDerWaalsContact O-CB 3.27Å; W558-K562 WeakPolarHBondContact O-CB 3.44Å; W558-K562 PolarHBondContact O-N 3.29Å; N559-K562 PolarHBondContact O-N 3.21Å; K562-R566 WeakPolarHBondContact O-CB 3.44Å; K562-R566 WeakPolarHBondContact O-CG 3.32Å; K562-R566 PolarHBondContact O-N 3.2Å
563	W	77.6	Confident	65.1	Low	8 Å²	8	98.7 Å²	98.7	3%	0.03	47%	0.467	C	S	.	.	H	α-helix	trans	-65	-46	174.9	-177.1	83.9	0	0	0	112	C543 T544 L547 P552 N559 L560 F561 A565 R566 C567	C543-W563 HydrophobicContact CB-CH2 3.26Å; C543-W563 HydrophobicContact CB-CZ2 3.73Å; C543-W563 HydrophobicContact CB-CZ3 3.71Å; T544-W563 HydrophobicContact CG2-CH2 3.82Å; T544-W563 HydrophobicContact CG2-CZ2 3.59Å; L547-W563 HydrophobicContact CD1-CD2 4.31Å; L547-W563 HydrophobicContact CD1-CG 4.26Å; L547-W563 WeakPolarHBondContact CD1-O 3.42Å; P552-W563 HydrophobicContact CG-CB 4.33Å; N559-W563 WeakPolarHBondContact O-CB 3.42Å; N559-W563 PolarHBondContact O-N 3.01Å; L560-W563 HydrophobicContact CD1-CE3 4.48Å; L560-W563 PolarHBondContact O-N 3.31Å; F561-W563 VanDerWaalsContact C-N 3.28Å; F561-W563 PolarHBondContact O-N 3.38Å; W563-A565 PolarHBondContact O-N 3.2Å; W563-R566 PolarHBondContact O-N 3.48Å; W563-C567 PolarHBondContact O-N 2.89Å
564	K	71.9	Confident	64.3	Low	77 Å²	77	96.2 Å²	96.2	34%	0.335	45%	0.453	S	S	.	.	H	α-helix	trans	-64.2	-40.3	175.7	-72.1	-169	178.2	-151.5	0	113.3	D540 L560 F561 C567 L568	D540-K564 WeakPolarHBondContact OD1-CE 3.46Å; D540-K564 IonicContact OD1-NZ 3.99Å; D540-K564 PolarHBondContact OD1-NZ 3.06Å; D540-K564 IonicContact OD2-NZ 2.75Å; L560-K564 WeakPolarHBondContact O-CG 3.43Å; L560-K564 PolarHBondContact O-N 3.47Å; F561-K564 PolarHBondContact O-N 3.04Å; K564-C567 WeakPolarHBondContact O-CB 3.33Å; K564-C567 PolarHBondContact O-N 3.43Å; K564-L568 PolarHBondContact O-N 2.92Å
565	A	68.2	Low	63.4	Low	42 Å²	42	97.6 Å²	97.6	35%	0.347	46%	0.463	S	S	.	.	H	α-helix	trans	-66.8	-39.2	177	0	0	0	0	0	111.7	F561 W563 L568 Y569	F561-A565 WeakPolarHBondContact O-CB 3.33Å; F561-A565 PolarHBondContact O-N 3.44Å; W563-A565 PolarHBondContact O-N 3.2Å; A565-L568 PolarHBondContact O-N 3.31Å; A565-Y569 WeakPolarHBondContact O-CB 3.42Å; A565-Y569 PolarHBondContact O-N 3.24Å
566	R	69	Low	62.2	Low	125 Å²	125	94.9 Å²	94.9	47%	0.472	45%	0.449	S	S	.	.	H	α-helix	trans	-61.9	-43.8	172.3	-84.4	179.2	153.8	-170.7	-8.9	111.9	L547 K562 W563 Y569 V570	L547-R566 HydrophobicContact CD1-CB 4.43Å; L547-R566 HydrophobicContact CD2-CB 4.07Å; K562-R566 WeakPolarHBondContact O-CB 3.44Å; K562-R566 WeakPolarHBondContact O-CG 3.32Å; K562-R566 PolarHBondContact O-N 3.2Å; W563-R566 PolarHBondContact O-N 3.48Å; R566-Y569 PolarHBondContact O-N 3.44Å; R566-V570 WeakPolarHBondContact O-CG2 3.4Å; R566-V570 PolarHBondContact O-N 2.93Å
567	C	74.9	Confident	60.5	Low	4 Å²	4	96.8 Å²	96.8	3%	0.027	46%	0.459	C	S	.	.	H	α-helix	trans	-58.7	-50	176.1	-179.8	0	0	0	0	111.3	C543 L547 W563 K564 Y569 V570 R571	C543-C567 WeakPolarHBondContact CA-SG 3.43Å; C543-C567 HydrophobicContact CB-CB 3.78Å; C543-C567 WeakPolarHBondContact CB-SG 3.46Å; C543-C567 WeakPolarHBondContact SG-CB 3.45Å; C543-C567 CovalentContact SG-SG 2.03Å; C543-C567 PolarHBondContact SG-SG 3.45Å; L547-C567 HydrophobicContact CD1-CB 3.6Å; L547-C567 HydrophobicContact CG-CB 4.37Å; W563-C567 PolarHBondContact O-N 2.89Å; K564-C567 WeakPolarHBondContact O-CB 3.33Å; K564-C567 PolarHBondContact O-N 3.43Å; C567-Y569 VanDerWaalsContact C-N 3.31Å; C567-Y569 PolarHBondContact O-N 2.87Å; C567-V570 PolarHBondContact O-N 2.77Å; C567-R571 PolarHBondContact O-N 3.28Å; C567-R571 VanDerWaalsContact O-N 3.11Å
568	L	64.2	Low	58.9	Low	80 Å²	80	98.9 Å²	98.9	42%	0.419	47%	0.47	S	S	.	.	H	α-helix	trans	-59.3	-41	175.6	-86.6	165.9	0	0	0	112.3	F538 K564 A565 Y572	F538-L568 HydrophobicContact CE2-CD2 4.29Å; K564-L568 PolarHBondContact O-N 2.92Å; A565-L568 PolarHBondContact O-N 3.31Å; L568-Y572 HydrophobicContact CD2-CD2 3.85Å; L568-Y572 HydrophobicContact CD2-CE2 3.6Å; L568-Y572 WeakPolarHBondContact O-CB 3.38Å; L568-Y572 WeakPolarHBondContact O-CD2 3.33Å; L568-Y572 PolarHBondContact O-N 3.28Å
569	Y	66.7	Low	57.3	Low	130 Å²	130	99.4 Å²	99.4	51%	0.51	48%	0.484	S	S	.	.	H	α-helix	trans	-65.3	-45.4	178.9	-176.9	-95.3	0	0	0	112.2	A565 R566 C567 R571 Y572 F573 L574	A565-Y569 WeakPolarHBondContact O-CB 3.42Å; A565-Y569 PolarHBondContact O-N 3.24Å; R566-Y569 PolarHBondContact O-N 3.44Å; C567-Y569 VanDerWaalsContact C-N 3.31Å; C567-Y569 PolarHBondContact O-N 2.87Å; Y569-R571 PolarHBondContact O-N 2.93Å; Y569-Y572 PolarHBondContact O-N 3.4Å; Y569-F573 HydrophobicContact CD2-CB 4.11Å; Y569-F573 AromaticContact CD2-CD2 3.6Å; Y569-F573 HydrophobicContact CD2-CD2 3.6Å; Y569-F573 HydrophobicContact CD2-CE2 4.32Å; Y569-F573 HydrophobicContact CD2-CG 4.05Å; Y569-F573 HydrophobicContact CE1-CB 4.45Å; Y569-F573 HydrophobicContact CE2-CB 3.88Å; Y569-F573 AromaticContact CE2-CD2 3.88Å; Y569-F573 HydrophobicContact CE2-CD2 3.88Å; Y569-F573 AromaticContact CE2-CG 3.89Å; Y569-F573 HydrophobicContact CE2-CG 3.89Å; Y569-F573 HydrophobicContact CG-CB 4.5Å; Y569-F573 HydrophobicContact CG-CD2 4.38Å; Y569-F573 WeakPolarHBondContact O-CA 3.35Å; Y569-F573 WeakPolarHBondContact O-CB 3.49Å; Y569-F573 PolarHBondContact O-N 3.17Å; Y569-L574 HydrophobicContact CE1-CD1 4.04Å; Y569-L574 PolarHBondContact O-N 3.16Å
570	V	66.8	Low	55.3	Low	45 Å²	45	104.4 Å²	104.4	27%	0.273	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-42.7	179.6	173.3	0	0	0	0	111.1	L547 R566 C567 L574 S575	L547-V570 HydrophobicContact CD2-CG2 4.34Å; R566-V570 WeakPolarHBondContact O-CG2 3.4Å; R566-V570 PolarHBondContact O-N 2.93Å; C567-V570 PolarHBondContact O-N 2.77Å; V570-L574 HydrophobicContact CG1-CB 4.5Å; V570-L574 CarbonylContact O-C 3.46Å; V570-L574 WeakPolarHBondContact O-CA 3.35Å; V570-L574 PolarHBondContact O-N 3.37Å; V570-L574 VanDerWaalsContact O-N 3.1Å; V570-S575 PolarHBondContact O-N 3.29Å; V570-S575 VanDerWaalsContact O-N 3.16Å; V570-S575 PolarHBondContact O-OG 3.4Å
571	R	58.1	Low	53.3	Low	139 Å²	139	109.3 Å²	109.3	53%	0.525	53%	0.531	S	S	.	.	H	α-helix	trans	-66.2	-47.7	177.7	-168.7	77.6	-175.8	174.4	3.7	113	E546 C567 Y569 S575	E546-R571 WeakPolarHBondContact OE1-CD 3.29Å; E546-R571 IonicContact OE1-CZ 2.71Å; E546-R571 IonicContact OE1-NE 2.84Å; E546-R571 IonicContact OE1-NH1 3.57Å; E546-R571 PolarHBondContact OE1-NH1 2.92Å; E546-R571 WeakPolarHBondContact OE2-CD 3.47Å; C567-R571 PolarHBondContact O-N 3.28Å; C567-R571 VanDerWaalsContact O-N 3.11Å; Y569-R571 PolarHBondContact O-N 2.93Å; R571-S575 PolarHBondContact O-OG 2.85Å
572	Y	55.4	Low	51.1	Low	167 Å²	167	111.7 Å²	111.7	66%	0.655	55%	0.547	S	S	*	.	H	α-helix	trans	-84.8	-31.3	-172.4	-82.4	-79.5	0	0	0	113.9	L568 Y569	L568-Y572 HydrophobicContact CD2-CD2 3.85Å; L568-Y572 HydrophobicContact CD2-CE2 3.6Å; L568-Y572 WeakPolarHBondContact O-CB 3.38Å; L568-Y572 WeakPolarHBondContact O-CD2 3.33Å; L568-Y572 PolarHBondContact O-N 3.28Å; Y569-Y572 PolarHBondContact O-N 3.4Å
573	F	49.7	Very low	48.9	Very low	157 Å²	157	110.8 Å²	110.8	69%	0.689	56%	0.557	S	S	*	*	H	α-helix	trans	-113	-26.3	-173.2	-71.1	-83.2	0	0	0	114.4	Y569	Y569-F573 HydrophobicContact CD2-CB 4.11Å; Y569-F573 AromaticContact CD2-CD2 3.6Å; Y569-F573 HydrophobicContact CD2-CD2 3.6Å; Y569-F573 HydrophobicContact CD2-CE2 4.32Å; Y569-F573 HydrophobicContact CD2-CG 4.05Å; Y569-F573 HydrophobicContact CE1-CB 4.45Å; Y569-F573 HydrophobicContact CE2-CB 3.88Å; Y569-F573 AromaticContact CE2-CD2 3.88Å; Y569-F573 HydrophobicContact CE2-CD2 3.88Å; Y569-F573 AromaticContact CE2-CG 3.89Å; Y569-F573 HydrophobicContact CE2-CG 3.89Å; Y569-F573 HydrophobicContact CG-CB 4.5Å; Y569-F573 HydrophobicContact CG-CD2 4.38Å; Y569-F573 WeakPolarHBondContact O-CA 3.35Å; Y569-F573 WeakPolarHBondContact O-CB 3.49Å; Y569-F573 PolarHBondContact O-N 3.17Å
574	L	45.1	Very low	46.4	Very low	109 Å²	109	121.7 Å²	121.7	57%	0.571	60%	0.598	S	S	*	*	S	Bend	trans	-110.9	-1	-172.4	-130.6	88	0	0	0	114.9	Y569 V570 S576	Y569-L574 HydrophobicContact CE1-CD1 4.04Å; Y569-L574 PolarHBondContact O-N 3.16Å; V570-L574 HydrophobicContact CG1-CB 4.5Å; V570-L574 CarbonylContact O-C 3.46Å; V570-L574 WeakPolarHBondContact O-CA 3.35Å; V570-L574 PolarHBondContact O-N 3.37Å; V570-L574 VanDerWaalsContact O-N 3.1Å; L574-S576 PolarHBondContact O-N 2.95Å
575	S	36.8	Very low	44.2	Very low	83 Å²	83	122.4 Å²	122.4	58%	0.58	61%	0.613	S	S	*	*			trans	-76.8	76.8	172.2	-64.1	0	0	0	0	110.4	V570 R571	V570-S575 PolarHBondContact O-N 3.29Å; V570-S575 VanDerWaalsContact O-N 3.16Å; V570-S575 PolarHBondContact O-OG 3.4Å; R571-S575 PolarHBondContact O-OG 2.85Å
576	S	30.7	Very low	42	Very low	87 Å²	87	127.4 Å²	127.4	61%	0.608	63%	0.634	S	S	*	*	S	Bend	trans	-127.3	121.6	159.7	-166.9	0	0	0	0	106.3	L574	L574-S576 PolarHBondContact O-N 2.95Å
577	E	30.9	Very low	39.9	Very low	171 Å²	171	130.3 Å²	130.3	80%	0.799	65%	0.65	S	S	*	*			trans	55	107.2	168.4	-75.7	139.1	148.1	0	0	117.3
578	L	29.9	Very low	37.6	Very low	181 Å²	181	138.5 Å²	138.5	95%	0.948	69%	0.688	S	S	*	*			trans	-112.3	125.9	156.3	-87.9	171.3	0	0	0	109.7
579	D	27.4	Very low	35.8	Very low	150 Å²	150	141.3 Å²	141.3	80%	0.802	70%	0.703	S	S	*	*			trans	-54.4	151.7	-179.7	-69.3	-57.7	0	0	0	114.4
580	E	26.2	Very low	33.8	Very low	184 Å²	184	142.5 Å²	142.5	86%	0.86	72%	0.718	S	S	*	*			trans	-50.8	127.7	160.9	-61.8	178.1	148.4	0	0	111.1
581	D	28.3	Very low	31.9	Very low	145 Å²	145	150.6 Å²	150.6	78%	0.775	74%	0.744	S	S	*	*			trans	-156.8	105.7	147.2	-108.8	-29.6	0	0	0	112.7
582	N	24.3	Very low	30.2	Very low	135 Å²	135	153.8 Å²	153.8	72%	0.722	76%	0.756	S	S	*	*			trans	55.9	112.1	136.1	-72.3	-48.2	0	0	0	121.8
583	S	24.6	Very low	28.8	Very low	107 Å²	107	154.7 Å²	154.7	75%	0.748	77%	0.766	S	S	*	*			trans	69.9	93.6	133	72.4	0	0	0	0	118.8
584	R	24.9	Very low	27.5	Very low	237 Å²	237	157.8 Å²	157.8	89%	0.894	77%	0.773	S	S	*	*				-172.4	119	126.4	-118.8	170.9	170	160.8	-3.4	112.9
585	S	26.4	Very low	26.6	Very low	93 Å²	93	159.4 Å²	159.4	65%	0.65	78%	0.781	S	S	*	*			trans	43.5	108.4	139.8	62.6	0	0	0	0	118.9
586	D	22.3	Very low	26.1	Very low	146 Å²	146	160.9 Å²	160.9	78%	0.781	79%	0.789	S	S	*	*				58	113.8	123.1	-69.2	-17.7	0	0	0	119.8
587	K	24.8	Very low	25.8	Very low	187 Å²	187	165.2 Å²	165.2	81%	0.813	80%	0.797	S	S	*	*			trans	93.4	127.3	141.9	-66.5	173.2	-178.3	177.2	0	117.9
588	E	26.6	Very low	25.5	Very low	176 Å²	176	166.4 Å²	166.4	82%	0.822	80%	0.8	S	S	*	*			trans	95.1	104.9	152.8	-71.2	178.2	170.8	0	0	119.6
589	N	26.2	Very low	25.2	Very low	138 Å²	138	163 Å²	163	74%	0.738	79%	0.791	S	S	*	*			trans	72.1	94	137	-79.2	-25.9	0	0	0	119.6	R591	N589-R591 PolarHBondContact O-N 3.41Å
590	D	25	Very low	25	Very low	155 Å²	155	161.6 Å²	161.6	83%	0.829	79%	0.794	S	S	*	*				31.6	83.4	106.4	-66.7	-9.3	0	0	0	116.8
591	R	25.6	Very low	25	Very low	216 Å²	216	157.9 Å²	157.9	82%	0.815	79%	0.788	S	S	*	*			trans	-156.8	138.8	140.4	-134.8	170.5	-87.8	-159.2	-3.9	109.2	N589	N589-R591 PolarHBondContact O-N 3.41Å
592	W	23.9	Very low	24.9	Very low	206 Å²	206	159.3 Å²	159.3	78%	0.78	79%	0.787	S	S	*	*			trans	98.5	62.3	179.3	-46.9	112.9	0	0	0	116.3	W594	W592-W594 AromaticContact CE3-CD1 4Å; W592-W594 AromaticContact CE3-NE1 3.56Å; W592-W594 AromaticContact CZ3-NE1 3.74Å
593	Q	25.4	Very low	25	Very low	185 Å²	185	159.2 Å²	159.2	86%	0.864	79%	0.794	S	S	*	*			trans	-95	108.9	146.5	-72.9	-175.8	-14.1	0	0	108.7
594	W	23	Very low	25	Very low	222 Å²	222	159.8 Å²	159.8	84%	0.841	79%	0.793	S	S	*	*			trans	-95.5	115.5	160.2	-83.1	86.9	0	0	0	107.4	W592	W592-W594 AromaticContact CE3-CD1 4Å; W592-W594 AromaticContact CE3-NE1 3.56Å; W592-W594 AromaticContact CZ3-NE1 3.74Å
595	I	25	Very low	25	Very low	144 Å²	144	156 Å²	156	74%	0.738	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-89.1	121.4	178.4	-63.3	167.8	0	0	0	108.6
596	P	25.9	Very low	25	Very low	114 Å²	114	160.3 Å²	160.3	74%	0.74	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-91.2	151.8	162.1	20.7	-4.6	0	0	0	111.5
597	F	24.6	Very low	25.1	Very low	177 Å²	177	160.3 Å²	160.3	78%	0.776	80%	0.799	S	S	*	*	S	Bend	trans	-66.8	149.2	-175.9	-77.3	-99.3	0	0	0	114
598	F	25.1	Very low	25.2	Very low	196 Å²	196	157.8 Å²	157.8	86%	0.86	79%	0.793	S	S	*	*			trans	58.6	73.7	160.6	-53.2	-66.6	0	0	0	117.4
599	S	23.1	Very low	25.2	Very low	110 Å²	110	158.6 Å²	158.6	77%	0.769	79%	0.794	S	S	*	*			trans	-126.8	114.9	138.4	-172.6	0	0	0	0	108.9	S601	S599-S601 PolarHBondContact O-N 3.43Å
600	S	24.4	Very low	25.4	Very low	121 Å²	121	159.3 Å²	159.3	85%	0.846	80%	0.798	S	S	*	*			trans	-66.1	76.7	169.3	164.6	0	0	0	0	108.6
601	S	25.9	Very low	25.5	Very low	105 Å²	105	156.7 Å²	156.7	73%	0.734	80%	0.797	S	S	*	*			trans	-78.9	126	167.7	58.4	0	0	0	0	109.3	S599	S599-S601 PolarHBondContact O-N 3.43Å
602	K	26.1	Very low	25.7	Very low	176 Å²	176	149.3 Å²	149.3	77%	0.765	79%	0.789	S	S	*	*			trans	-50.6	154.7	179.6	-69.3	172.1	178.4	175.5	0	112.2	T604	K602-T604 PolarHBondContact O-N 3.01Å
603	P	25.8	Very low	26.1	Very low	133 Å²	133	146.8 Å²	146.8	86%	0.864	79%	0.791	S	S	*	*	S	Bend	trans	-78.3	84.4	-172.5	33.7	-33.8	0	0	0	110.3
604	T	25	Very low	26.3	Very low	118 Å²	118	143.9 Å²	143.9	72%	0.724	78%	0.781	S	S	*	*			trans	-145.7	73	167.4	54.1	0	0	0	0	108.8	K602	K602-T604 PolarHBondContact O-N 3.01Å
605	D	24.8	Very low	27.2	Very low	159 Å²	159	140 Å²	140	85%	0.85	78%	0.776	S	S	*	*			trans	-144.1	93.2	148.7	-88.9	-30.1	0	0	0	106.7	I607	D605-I607 PolarHBondContact O-N 3.4Å; D605-I607 VanDerWaalsContact O-N 3.09Å
606	Q	27.1	Very low	27.9	Very low	182 Å²	182	141 Å²	141	85%	0.85	78%	0.783	S	S	*	*			trans	-59.2	108.3	162.2	-79.4	173.1	-22.9	0	0	106.6	I608	Q606-I608 VanDerWaalsContact C-N 3.29Å; Q606-I608 PolarHBondContact O-N 2.83Å
607	I	24.5	Very low	28.5	Very low	147 Å²	147	140.5 Å²	140.5	75%	0.754	78%	0.778	S	S	*	*			trans	-64.7	100.2	165.3	-61	172.6	0	0	0	105.8	D605 F609	D605-I607 PolarHBondContact O-N 3.4Å; D605-I607 VanDerWaalsContact O-N 3.09Å; I607-F609 PolarHBondContact O-N 2.89Å
608	I	26.4	Very low	29.8	Very low	134 Å²	134	135.5 Å²	135.5	69%	0.687	76%	0.762	S	S	*	*			trans	-64.1	115.5	172.2	-66.4	169.3	0	0	0	106.3	Q606 D610	Q606-I608 VanDerWaalsContact C-N 3.29Å; Q606-I608 PolarHBondContact O-N 2.83Å; I608-D610 PolarHBondContact O-N 3.34Å; I608-D610 VanDerWaalsContact O-N 3.1Å
609	F	26.6	Very low	30.9	Very low	193 Å²	193	131 Å²	131	85%	0.846	75%	0.75	S	S	*	*			trans	-70.7	98.2	171.6	-78.2	-94.4	0	0	0	108.3	I607 A611	I607-F609 PolarHBondContact O-N 2.89Å; F609-A611 PolarHBondContact O-N 3.32Å
610	D	29	Very low	32.4	Very low	152 Å²	152	131.6 Å²	131.6	81%	0.813	75%	0.745	S	S	*	*			trans	-69.5	100.7	161.5	-85.8	-16.7	0	0	0	108.1	I608 G612	I608-D610 PolarHBondContact O-N 3.34Å; I608-D610 VanDerWaalsContact O-N 3.1Å; D610-G612 PolarHBondContact O-N 3.02Å
611	A	27.9	Very low	34.3	Very low	100 Å²	100	132.3 Å²	132.3	83%	0.826	73%	0.733	S	S	*	*			trans	-71.4	58.7	174.5	0	0	0	0	0	110.7	F609	F609-A611 PolarHBondContact O-N 3.32Å
612	G	30.2	Very low	35.8	Very low	62 Å²	62	130.7 Å²	130.7	64%	0.639	72%	0.718	S	S	*	*			trans	-93.2	95	175.4	0	0	0	0	0	111.7	D610	D610-G612 PolarHBondContact O-N 3.02Å
613	N	31.7	Very low	37.5	Very low	152 Å²	152	126.4 Å²	126.4	81%	0.813	70%	0.703	S	S	*	*			trans	58	65.1	153	-142.3	6.3	0	0	0	117.7	N615	N613-N615 PolarHBondContact O-N 3.43Å
614	L	30.1	Very low	39.5	Very low	125 Å²	125	126.3 Å²	126.3	65%	0.654	69%	0.691	S	S	*	*			trans	-88.2	76.9	174.3	-79.1	156.3	0	0	0	111.5	T618	L614-T618 HydrophobicContact CD2-CG2 3.47Å; L614-T618 VanDerWaalsContact CD2-CG2 3.47Å
615	N	41.7	Very low	41.6	Very low	140 Å²	140	127 Å²	127	75%	0.749	69%	0.686	S	S	*	*	S	Bend	trans	-131.1	-1.7	174.6	-93	-16.1	0	0	0	118.4	N613	N613-N615 PolarHBondContact O-N 3.43Å
616	D	39.3	Very low	43.5	Very low	166 Å²	166	122 Å²	122	89%	0.888	66%	0.659	S	S	*	*	S	Bend	trans	-149.8	8.8	178.2	-104.7	-25.7	0	0	0	119.3
617	V	39.1	Very low	45.6	Very low	103 Å²	103	116.9 Å²	116.9	62%	0.624	64%	0.636	S	S	*	*	S	Bend	trans	-127.7	-1.7	-174.3	-175.4	0	0	0	0	115.5	K621	V617-K621 HydrophobicContact CG1-CD 4.44Å
618	T	52.8	Low	47.9	Very low	71 Å²	71	113.3 Å²	113.3	44%	0.436	63%	0.625	S	S	.	*	H	α-helix	trans	-96.8	-17.4	-160.2	49.3	0	0	0	0	117.9	L614 V622	L614-T618 HydrophobicContact CD2-CG2 3.47Å; L614-T618 VanDerWaalsContact CD2-CG2 3.47Å; T618-V622 WeakPolarHBondContact O-CB 3.5Å; T618-V622 WeakPolarHBondContact O-CG2 3.47Å; T618-V622 PolarHBondContact O-N 3.15Å
619	T	47	Very low	50.2	Low	101 Å²	101	111.3 Å²	111.3	62%	0.62	62%	0.615	S	S	*	*	H	α-helix	trans	-75.3	-48.8	-178.3	46.4	0	0	0	0	112.7	K621 V622 I623	T619-K621 PolarHBondContact O-N 3.4Å; T619-V622 PolarHBondContact O-N 3.07Å; T619-I623 VanDerWaalsContact O-CG1 3.3Å; T619-I623 WeakPolarHBondContact O-CG1 3.39Å; T619-I623 PolarHBondContact O-N 3.09Å; T619-I623 VanDerWaalsContact O-N 3.14Å
620	N	54.6	Low	52.7	Low	123 Å²	123	105.1 Å²	105.1	66%	0.658	60%	0.595	S	S	*	*	H	α-helix	trans	-68.9	-37.5	-178	-69.1	-11.8	0	0	0	112.3	I623 E624	N620-I623 PolarHBondContact O-N 3.07Å; N620-E624 PolarHBondContact O-N 3.45Å
621	K	63.8	Low	54.8	Low	137 Å²	137	103.7 Å²	103.7	60%	0.596	58%	0.584	S	S	*	*	H	α-helix	trans	-67.7	-36.7	179.9	-138.9	175.8	-172.8	179.7	0	112	V617 T619 Q625	V617-K621 HydrophobicContact CG1-CD 4.44Å; T619-K621 PolarHBondContact O-N 3.4Å; K621-Q625 WeakPolarHBondContact O-CG 3.33Å; K621-Q625 PolarHBondContact O-N 2.83Å
622	V	58.9	Low	57.1	Low	71 Å²	71	101.5 Å²	101.5	43%	0.43	56%	0.563	S	S	.	*	H	α-helix	trans	-68.9	-40.1	175.1	171.4	0	0	0	0	111	T618 T619 Q625 L626	T618-V622 WeakPolarHBondContact O-CB 3.5Å; T618-V622 WeakPolarHBondContact O-CG2 3.47Å; T618-V622 PolarHBondContact O-N 3.15Å; T619-V622 PolarHBondContact O-N 3.07Å; V622-Q625 PolarHBondContact O-N 3.42Å; V622-L626 WeakPolarHBondContact O-CB 3.31Å; V622-L626 PolarHBondContact O-N 3.33Å
623	I	61.7	Low	59.3	Low	86 Å²	86	101.2 Å²	101.2	44%	0.441	55%	0.548	S	S	.	.	H	α-helix	trans	-63	-45.7	176.1	-67.4	165.6	0	0	0	110.9	T619 N620 Q625 L626 I627	T619-I623 VanDerWaalsContact O-CG1 3.3Å; T619-I623 WeakPolarHBondContact O-CG1 3.39Å; T619-I623 PolarHBondContact O-N 3.09Å; T619-I623 VanDerWaalsContact O-N 3.14Å; N620-I623 PolarHBondContact O-N 3.07Å; I623-Q625 PolarHBondContact O-N 2.78Å; I623-L626 WeakPolarHBondContact O-CB 3.28Å; I623-L626 PolarHBondContact O-N 3.17Å; I623-L626 VanDerWaalsContact O-N 3.16Å; I623-I627 HydrophobicContact CG2-CD1 3.88Å; I623-I627 HydrophobicContact CG2-CG1 4.49Å; I623-I627 WeakPolarHBondContact O-CG1 3.2Å; I623-I627 PolarHBondContact O-N 2.96Å
624	E	67.7	Low	61.6	Low	131 Å²	131	98 Å²	98	61%	0.612	53%	0.531	S	S	*	.	H	α-helix	trans	-58.8	-45.8	175.3	-86	-70.4	153.7	0	0	112.3	N620 L626 I627 S628	N620-E624 PolarHBondContact O-N 3.45Å; E624-L626 VanDerWaalsContact C-N 3.28Å; E624-L626 PolarHBondContact O-N 2.85Å; E624-I627 PolarHBondContact O-N 2.99Å; E624-S628 WeakPolarHBondContact O-CB 3.29Å; E624-S628 PolarHBondContact O-N 3Å
625	Q	68.4	Low	64	Low	131 Å²	131	99.4 Å²	99.4	61%	0.612	53%	0.532	S	S	*	.	H	α-helix	trans	-61.1	-37.3	175.1	-77.5	179.6	-19.5	0	0	112.2	K621 V622 I623 S628 L629	K621-Q625 WeakPolarHBondContact O-CG 3.33Å; K621-Q625 PolarHBondContact O-N 2.83Å; V622-Q625 PolarHBondContact O-N 3.42Å; I623-Q625 PolarHBondContact O-N 2.78Å; Q625-S628 PolarHBondContact O-N 2.83Å; Q625-L629 WeakPolarHBondContact O-CB 3.5Å; Q625-L629 PolarHBondContact O-N 2.87Å
626	L	64.5	Low	65.6	Low	55 Å²	55	101.5 Å²	101.5	29%	0.288	53%	0.529	S	S	.	.	H	α-helix	trans	-68.7	-40.8	178.7	-147.2	106.7	0	0	0	112.1	V622 I623 E624 L629 S630 L790 L794	V622-L626 WeakPolarHBondContact O-CB 3.31Å; V622-L626 PolarHBondContact O-N 3.33Å; I623-L626 WeakPolarHBondContact O-CB 3.28Å; I623-L626 PolarHBondContact O-N 3.17Å; I623-L626 VanDerWaalsContact O-N 3.16Å; E624-L626 VanDerWaalsContact C-N 3.28Å; E624-L626 PolarHBondContact O-N 2.85Å; L626-L629 PolarHBondContact O-N 3.34Å; L626-S630 WeakPolarHBondContact O-CB 3.34Å; L626-S630 PolarHBondContact O-N 2.91Å; L626-L790 HydrophobicContact CD1-CB 4.23Å; L626-L790 HydrophobicContact CD1-CD1 3.86Å; L626-L790 HydrophobicContact CD1-CD2 3.85Å; L626-L790 HydrophobicContact CD1-CG 4.2Å; L626-L794 HydrophobicContact CD1-CD1 4.48Å; L626-L794 HydrophobicContact CD2-CD1 4.04Å
627	I	72.3	Confident	67.4	Low	74 Å²	74	97.6 Å²	97.6	38%	0.379	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-45.5	175.5	-67.7	167.4	0	0	0	109.8	I623 E624 L629 S630 Q631	I623-I627 HydrophobicContact CG2-CD1 3.88Å; I623-I627 HydrophobicContact CG2-CG1 4.49Å; I623-I627 WeakPolarHBondContact O-CG1 3.2Å; I623-I627 PolarHBondContact O-N 2.96Å; E624-I627 PolarHBondContact O-N 2.99Å; I627-L629 PolarHBondContact O-N 3.46Å; I627-S630 PolarHBondContact O-N 2.97Å; I627-Q631 HydrophobicContact CG2-CG 4.41Å; I627-Q631 WeakPolarHBondContact O-CB 3.4Å; I627-Q631 VanDerWaalsContact O-CG 3.26Å; I627-Q631 WeakPolarHBondContact O-CG 3.31Å; I627-Q631 PolarHBondContact O-N 2.91Å
628	S	72.9	Confident	69.3	Low	72 Å²	72	97.3 Å²	97.3	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-59.5	-44.3	176	174.1	0	0	0	0	112.4	E624 Q625 Q631 S632	E624-S628 WeakPolarHBondContact O-CB 3.29Å; E624-S628 PolarHBondContact O-N 3Å; Q625-S628 PolarHBondContact O-N 2.83Å; S628-Q631 PolarHBondContact O-N 2.93Å; S628-S632 WeakPolarHBondContact O-CB 3.33Å; S628-S632 PolarHBondContact O-N 3.18Å
629	L	74.7	Confident	70.7	Confident	93 Å²	93	96.6 Å²	96.6	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-64.8	-46.8	177.1	-175.2	70	0	0	0	111.7	Q625 L626 I627 Q631 S632 V633 L790	Q625-L629 WeakPolarHBondContact O-CB 3.5Å; Q625-L629 PolarHBondContact O-N 2.87Å; L626-L629 PolarHBondContact O-N 3.34Å; I627-L629 PolarHBondContact O-N 3.46Å; L629-Q631 PolarHBondContact O-N 3.27Å; L629-S632 WeakPolarHBondContact O-CB 3.49Å; L629-S632 PolarHBondContact O-N 3.06Å; L629-V633 WeakPolarHBondContact O-CG2 3.45Å; L629-V633 PolarHBondContact O-N 2.99Å; L629-L790 HydrophobicContact CD2-CD1 4.27Å
630	S	77.9	Confident	72	Confident	62 Å²	62	94.2 Å²	94.2	43%	0.434	48%	0.482	S	S	.	.	H	α-helix	trans	-56.3	-48.1	175.6	169.2	0	0	0	0	111.7	L626 I627 S632 V633 N634	L626-S630 WeakPolarHBondContact O-CB 3.34Å; L626-S630 PolarHBondContact O-N 2.91Å; I627-S630 PolarHBondContact O-N 2.97Å; S630-S632 PolarHBondContact O-N 3.02Å; S630-V633 PolarHBondContact O-N 3.28Å; S630-N634 WeakPolarHBondContact O-CB 3.43Å; S630-N634 VanDerWaalsContact O-CG 3.27Å; S630-N634 PolarHBondContact O-N 3.07Å; S630-N634 PolarHBondContact O-ND2 3.47Å
631	Q	73.6	Confident	73.1	Confident	123 Å²	123	90.9 Å²	90.9	58%	0.575	47%	0.468	S	S	*	.	H	α-helix	trans	-62.9	-40.7	177.3	-72.8	174.6	-3.5	0	0	112.1	I627 S628 L629 K635	I627-Q631 HydrophobicContact CG2-CG 4.41Å; I627-Q631 WeakPolarHBondContact O-CB 3.4Å; I627-Q631 VanDerWaalsContact O-CG 3.26Å; I627-Q631 WeakPolarHBondContact O-CG 3.31Å; I627-Q631 PolarHBondContact O-N 2.91Å; S628-Q631 PolarHBondContact O-N 2.93Å; L629-Q631 PolarHBondContact O-N 3.27Å; Q631-K635 VanDerWaalsContact O-CB 3.29Å; Q631-K635 WeakPolarHBondContact O-CB 3.45Å; Q631-K635 PolarHBondContact O-N 3.47Å
632	S	76.5	Confident	73.9	Confident	54 Å²	54	90.2 Å²	90.2	38%	0.378	47%	0.467	S	S	.	.	H	α-helix	trans	-63.7	-43.4	176.7	-177.1	0	0	0	0	112.4	S628 L629 S630 K635 R636	S628-S632 WeakPolarHBondContact O-CB 3.33Å; S628-S632 PolarHBondContact O-N 3.18Å; L629-S632 WeakPolarHBondContact O-CB 3.49Å; L629-S632 PolarHBondContact O-N 3.06Å; S630-S632 PolarHBondContact O-N 3.02Å; S632-K635 PolarHBondContact O-N 2.97Å; S632-R636 WeakPolarHBondContact O-CG 3.23Å; S632-R636 PolarHBondContact O-N 3.29Å
633	V	75.8	Confident	74.7	Confident	56 Å²	56	90 Å²	90	34%	0.339	47%	0.466	S	S	.	.	H	α-helix	trans	-65.2	-46.3	177.5	172.4	0	0	0	0	110.8	L629 S630 K635 R636 L637 T783	L629-V633 WeakPolarHBondContact O-CG2 3.45Å; L629-V633 PolarHBondContact O-N 2.99Å; S630-V633 PolarHBondContact O-N 3.28Å; V633-K635 PolarHBondContact O-N 3.29Å; V633-R636 PolarHBondContact O-N 3.01Å; V633-L637 WeakPolarHBondContact O-CB 3.34Å; V633-L637 PolarHBondContact O-N 3.41Å; V633-T783 HydrophobicContact CG1-CG2 4.33Å
634	N	79.7	Confident	75.5	Confident	84 Å²	84	88.1 Å²	88.1	45%	0.449	46%	0.456	S	S	.	.	H	α-helix	trans	-61.7	-44.5	177.9	-70	-25.9	0	0	0	111.4	S630 R636 L637 D638	S630-N634 WeakPolarHBondContact O-CB 3.43Å; S630-N634 VanDerWaalsContact O-CG 3.27Å; S630-N634 PolarHBondContact O-N 3.07Å; S630-N634 PolarHBondContact O-ND2 3.47Å; N634-R636 VanDerWaalsContact C-N 3.34Å; N634-R636 PolarHBondContact O-N 3.47Å; N634-L637 WeakPolarHBondContact O-CB 3.43Å; N634-L637 PolarHBondContact O-N 2.82Å; N634-L637 VanDerWaalsContact O-N 3.16Å; N634-D638 PolarHBondContact O-N 2.77Å
635	K	81.3	Confident	76.1	Confident	154 Å²	154	88.2 Å²	88.2	67%	0.67	46%	0.455	S	S	*	.	H	α-helix	trans	-61.2	-39.8	177.1	-171.6	175.9	-177.5	177.9	0	112.5	Q631 S632 V633 V639	Q631-K635 VanDerWaalsContact O-CB 3.29Å; Q631-K635 WeakPolarHBondContact O-CB 3.45Å; Q631-K635 PolarHBondContact O-N 3.47Å; S632-K635 PolarHBondContact O-N 2.97Å; V633-K635 PolarHBondContact O-N 3.29Å; K635-V639 WeakPolarHBondContact O-CG2 3.39Å; K635-V639 PolarHBondContact O-N 2.56Å
636	R	75.6	Confident	76.8	Confident	185 Å²	185	86.7 Å²	86.7	70%	0.698	45%	0.454	S	S	*	.	H	α-helix	trans	-69.3	-36.5	175.7	-74.7	-178.2	178.2	-139.3	-0.3	112.2	S632 V633 N634 L640	S632-R636 WeakPolarHBondContact O-CG 3.23Å; S632-R636 PolarHBondContact O-N 3.29Å; V633-R636 PolarHBondContact O-N 3.01Å; N634-R636 VanDerWaalsContact C-N 3.34Å; N634-R636 PolarHBondContact O-N 3.47Å; R636-L640 WeakPolarHBondContact O-CB 3.4Å; R636-L640 PolarHBondContact O-N 3.2Å; R636-L640 VanDerWaalsContact O-N 3.07Å
637	L	76.4	Confident	77.4	Confident	83 Å²	83	85.6 Å²	85.6	44%	0.435	45%	0.449	S	S	.	.	H	α-helix	trans	-66.1	-39.9	176.7	-171.9	64.9	0	0	0	111.4	V633 N634 L640 S641 L776	V633-L637 WeakPolarHBondContact O-CB 3.34Å; V633-L637 PolarHBondContact O-N 3.41Å; N634-L637 WeakPolarHBondContact O-CB 3.43Å; N634-L637 PolarHBondContact O-N 2.82Å; N634-L637 VanDerWaalsContact O-N 3.16Å; L637-L640 PolarHBondContact O-N 3.08Å; L637-S641 WeakPolarHBondContact O-CB 2.95Å; L637-S641 PolarHBondContact O-N 3.17Å; L637-L776 HydrophobicContact CD1-CD2 4.45Å
638	D	80.4	Confident	77.9	Confident	98 Å²	98	85.1 Å²	85.1	52%	0.524	45%	0.448	S	S	.	.	H	α-helix	trans	-63.4	-47.5	176	-72.9	-22.9	0	0	0	112	N634 L640 S641 Q642	N634-D638 PolarHBondContact O-N 2.77Å; D638-L640 VanDerWaalsContact C-N 3.31Å; D638-L640 PolarHBondContact O-N 2.87Å; D638-S641 PolarHBondContact O-N 3.18Å; D638-Q642 VanDerWaalsContact O-CG 3.31Å; D638-Q642 WeakPolarHBondContact O-CG 3.41Å; D638-Q642 PolarHBondContact O-N 2.88Å
639	V	80.6	Confident	78.3	Confident	55 Å²	55	86 Å²	86	33%	0.333	45%	0.447	S	S	.	.	H	α-helix	trans	-58.4	-45.1	176.4	171.3	0	0	0	0	110.6	K635 Q642 T643	K635-V639 WeakPolarHBondContact O-CG2 3.39Å; K635-V639 PolarHBondContact O-N 2.56Å; V639-Q642 WeakPolarHBondContact O-CB 3.49Å; V639-Q642 PolarHBondContact O-N 3.38Å; V639-T643 PolarHBondContact O-N 2.97Å; V639-T643 PolarHBondContact O-OG1 2.84Å; V639-T643 VanDerWaalsContact O-OG1 3.04Å
640	L	74.2	Confident	78.5	Confident	52 Å²	52	89.7 Å²	89.7	27%	0.272	45%	0.454	S	S	.	.	H	α-helix	trans	-69.2	-38.1	-179.5	-174.3	53.5	0	0	0	112.4	R636 L637 D638 Q642 T643 I644 L776	R636-L640 WeakPolarHBondContact O-CB 3.4Å; R636-L640 PolarHBondContact O-N 3.2Å; R636-L640 VanDerWaalsContact O-N 3.07Å; L637-L640 PolarHBondContact O-N 3.08Å; D638-L640 VanDerWaalsContact C-N 3.31Å; D638-L640 PolarHBondContact O-N 2.87Å; L640-Q642 VanDerWaalsContact C-N 3.32Å; L640-Q642 PolarHBondContact O-N 3.25Å; L640-T643 PolarHBondContact O-N 3.13Å; L640-I644 WeakPolarHBondContact O-CG1 3.44Å; L640-I644 PolarHBondContact O-N 3.3Å; L640-L776 HydrophobicContact CD2-CD1 4.27Å; L640-L776 HydrophobicContact CD2-CD2 3.24Å; L640-L776 HydrophobicContact CD2-CG 3.79Å; L640-L776 HydrophobicContact CG-CD1 4.3Å; L640-L776 HydrophobicContact CG-CD2 3.92Å; L640-L776 HydrophobicContact CG-CG 4.36Å
641	S	78.9	Confident	78.4	Confident	52 Å²	52	89.5 Å²	89.5	36%	0.364	45%	0.448	S	S	.	.	H	α-helix	trans	-61.6	-40.8	173.4	-175.2	0	0	0	0	111.6	L637 D638 I644 K645	L637-S641 WeakPolarHBondContact O-CB 2.95Å; L637-S641 PolarHBondContact O-N 3.17Å; D638-S641 PolarHBondContact O-N 3.18Å; S641-I644 PolarHBondContact O-N 2.93Å; S641-K645 WeakPolarHBondContact O-CG 3.48Å; S641-K645 PolarHBondContact O-N 3.2Å; S641-K645 VanDerWaalsContact O-N 3.13Å
642	Q	79.2	Confident	78.7	Confident	123 Å²	123	87.4 Å²	87.4	58%	0.575	44%	0.44	S	S	*	.	H	α-helix	trans	-62.8	-44.1	173.9	-72	173.1	-1.3	0	0	111.5	D638 V639 L640 I644 K645 V646	D638-Q642 VanDerWaalsContact O-CG 3.31Å; D638-Q642 WeakPolarHBondContact O-CG 3.41Å; D638-Q642 PolarHBondContact O-N 2.88Å; V639-Q642 WeakPolarHBondContact O-CB 3.49Å; V639-Q642 PolarHBondContact O-N 3.38Å; L640-Q642 VanDerWaalsContact C-N 3.32Å; L640-Q642 PolarHBondContact O-N 3.25Å; Q642-I644 VanDerWaalsContact C-N 3.32Å; Q642-I644 PolarHBondContact O-N 3.4Å; Q642-K645 PolarHBondContact O-N 3.23Å; Q642-V646 WeakPolarHBondContact O-CG2 3.29Å; Q642-V646 PolarHBondContact O-N 3.23Å
643	T	77.3	Confident	78.9	Confident	68 Å²	68	89.3 Å²	89.3	42%	0.417	45%	0.446	S	S	.	.	H	α-helix	trans	-58.8	-42.4	175.9	-54.5	0	0	0	0	112	V639 L640 K645 V646 T647	V639-T643 PolarHBondContact O-N 2.97Å; V639-T643 PolarHBondContact O-OG1 2.84Å; V639-T643 VanDerWaalsContact O-OG1 3.04Å; L640-T643 PolarHBondContact O-N 3.13Å; T643-K645 PolarHBondContact O-N 3.22Å; T643-V646 PolarHBondContact O-N 3.13Å; T643-T647 WeakPolarHBondContact O-CG2 3.42Å; T643-T647 PolarHBondContact O-N 3.04Å; T643-T647 PolarHBondContact O-OG1 3.01Å
644	I	77.3	Confident	78.8	Confident	45 Å²	45	90.5 Å²	90.5	23%	0.231	45%	0.45	C	S	.	.	H	α-helix	trans	-61.3	-45.8	177.4	-65.3	164.6	0	0	0	111.1	L640 S641 Q642 V646 T647 D648 L776	L640-I644 WeakPolarHBondContact O-CG1 3.44Å; L640-I644 PolarHBondContact O-N 3.3Å; S641-I644 PolarHBondContact O-N 2.93Å; Q642-I644 VanDerWaalsContact C-N 3.32Å; Q642-I644 PolarHBondContact O-N 3.4Å; I644-V646 PolarHBondContact O-N 3.36Å; I644-T647 WeakPolarHBondContact CA-OG1 3.31Å; I644-T647 PolarHBondContact O-N 3.26Å; I644-T647 PolarHBondContact O-OG1 3.03Å; I644-D648 WeakPolarHBondContact O-CB 3.05Å; I644-D648 PolarHBondContact O-N 3.01Å; I644-L776 HydrophobicContact CD1-CD1 3.26Å; I644-L776 HydrophobicContact CG1-CD1 4.3Å
645	K	79.9	Confident	78.7	Confident	134 Å²	134	93.3 Å²	93.3	58%	0.583	46%	0.458	S	S	*	.	H	α-helix	trans	-59.1	-47.4	177.9	-71	178.4	-178.7	-178.8	0	111.4	S641 Q642 T643 T647 D648 D649	S641-K645 WeakPolarHBondContact O-CG 3.48Å; S641-K645 PolarHBondContact O-N 3.2Å; S641-K645 VanDerWaalsContact O-N 3.13Å; Q642-K645 PolarHBondContact O-N 3.23Å; T643-K645 PolarHBondContact O-N 3.22Å; K645-T647 VanDerWaalsContact C-N 3.31Å; K645-T647 PolarHBondContact O-N 3.38Å; K645-D648 PolarHBondContact O-N 3.49Å; K645-D648 VanDerWaalsContact O-N 3.17Å; K645-D649 PolarHBondContact O-N 3.34Å
646	V	83.1	Confident	78.8	Confident	98 Å²	98	91 Å²	91	59%	0.594	45%	0.45	S	S	*	.	H	α-helix	trans	-60.5	-39.7	177.2	173.5	0	0	0	0	111.9	Q642 T643 I644 R650	Q642-V646 WeakPolarHBondContact O-CG2 3.29Å; Q642-V646 PolarHBondContact O-N 3.23Å; T643-V646 PolarHBondContact O-N 3.13Å; I644-V646 PolarHBondContact O-N 3.36Å; V646-R650 WeakPolarHBondContact O-CB 3.38Å; V646-R650 PolarHBondContact O-N 3.37Å; V646-R650 VanDerWaalsContact O-N 3.1Å
647	T	77.3	Confident	78.8	Confident	32 Å²	32	85.3 Å²	85.3	20%	0.196	43%	0.433	C	S	.	.	H	α-helix	trans	-69.4	-35	177.1	53.6	0	0	0	0	113.1	T643 I644 K645 R650 L651	T643-T647 WeakPolarHBondContact O-CG2 3.42Å; T643-T647 PolarHBondContact O-N 3.04Å; T643-T647 PolarHBondContact O-OG1 3.01Å; I644-T647 WeakPolarHBondContact CA-OG1 3.31Å; I644-T647 PolarHBondContact O-N 3.26Å; I644-T647 PolarHBondContact O-OG1 3.03Å; K645-T647 VanDerWaalsContact C-N 3.31Å; K645-T647 PolarHBondContact O-N 3.38Å; T647-R650 PolarHBondContact O-N 2.97Å; T647-L651 PolarHBondContact O-N 2.99Å; T647-L651 VanDerWaalsContact O-N 3.15Å
648	D	83	Confident	78.6	Confident	64 Å²	64	83.6 Å²	83.6	34%	0.342	43%	0.428	S	S	.	.	H	α-helix	trans	-70.9	-44.6	178.1	-155.8	44.6	0	0	0	110.9	I644 K645 R650 L651 I652	I644-D648 WeakPolarHBondContact O-CB 3.05Å; I644-D648 PolarHBondContact O-N 3.01Å; K645-D648 PolarHBondContact O-N 3.49Å; K645-D648 VanDerWaalsContact O-N 3.17Å; D648-R650 VanDerWaalsContact C-N 3.27Å; D648-R650 PolarHBondContact O-N 3.12Å; D648-L651 WeakPolarHBondContact O-CB 3.49Å; D648-L651 PolarHBondContact O-N 2.99Å; D648-I652 WeakPolarHBondContact O-CG1 3.34Å; D648-I652 PolarHBondContact O-N 2.76Å
649	D	82.3	Confident	78.4	Confident	92 Å²	92	83.4 Å²	83.4	49%	0.492	43%	0.426	S	S	.	.	H	α-helix	trans	-59	-39.1	174	-68.9	-23.1	0	0	0	111.6	K645 L651 I652 N653	K645-D649 PolarHBondContact O-N 3.34Å; D649-L651 VanDerWaalsContact C-N 3.34Å; D649-L651 PolarHBondContact O-N 3.37Å; D649-I652 PolarHBondContact O-N 2.92Å; D649-N653 WeakPolarHBondContact O-CB 3.28Å; D649-N653 PolarHBondContact O-N 3.37Å; D649-N653 PolarHBondContact O-ND2 3.19Å
650	R	78.8	Confident	78.2	Confident	170 Å²	170	88.3 Å²	88.3	64%	0.642	44%	0.439	S	S	*	.	H	α-helix	trans	-65	-37.5	175.3	-170.6	174	-178.7	166.8	-0.2	112.1	V646 T647 D648 L654	V646-R650 WeakPolarHBondContact O-CB 3.38Å; V646-R650 PolarHBondContact O-N 3.37Å; V646-R650 VanDerWaalsContact O-N 3.1Å; T647-R650 PolarHBondContact O-N 2.97Å; D648-R650 VanDerWaalsContact C-N 3.27Å; D648-R650 PolarHBondContact O-N 3.12Å; R650-L654 HydrophobicContact CG-CD1 4.35Å; R650-L654 WeakPolarHBondContact O-CB 3.33Å; R650-L654 VanDerWaalsContact O-CG 3.25Å; R650-L654 WeakPolarHBondContact O-CG 3.35Å; R650-L654 PolarHBondContact O-N 2.92Å
651	L	75	Confident	78.1	Confident	58 Å²	58	92 Å²	92	30%	0.304	45%	0.453	S	S	.	.	H	α-helix	trans	-66.4	-41.6	176.6	-168.8	105.6	0	0	0	111.3	T647 D648 D649 L654 K655 M765	T647-L651 PolarHBondContact O-N 2.99Å; T647-L651 VanDerWaalsContact O-N 3.15Å; D648-L651 WeakPolarHBondContact O-CB 3.49Å; D648-L651 PolarHBondContact O-N 2.99Å; D649-L651 VanDerWaalsContact C-N 3.34Å; D649-L651 PolarHBondContact O-N 3.37Å; L651-L654 PolarHBondContact O-N 3.38Å; L651-K655 PolarHBondContact O-N 3Å; L651-K655 VanDerWaalsContact O-N 3.09Å; L651-M765 HydrophobicContact CD1-CB 4.39Å
652	I	80.2	Confident	77.7	Confident	79 Å²	79	92.3 Å²	92.3	41%	0.405	46%	0.455	S	S	.	.	H	α-helix	trans	-63	-49	177.1	-65.3	167.3	0	0	0	110.5	D648 D649 L654 K655 E656	D648-I652 WeakPolarHBondContact O-CG1 3.34Å; D648-I652 PolarHBondContact O-N 2.76Å; D649-I652 PolarHBondContact O-N 2.92Å; I652-L654 VanDerWaalsContact C-N 3.35Å; I652-L654 PolarHBondContact O-N 3.34Å; I652-K655 WeakPolarHBondContact O-CB 3.35Å; I652-K655 PolarHBondContact O-N 3.48Å; I652-K655 VanDerWaalsContact O-N 3.08Å; I652-E656 PolarHBondContact O-N 2.93Å
653	N	81.4	Confident	77.7	Confident	93 Å²	93	90.6 Å²	90.6	50%	0.497	45%	0.449	S	S	.	.	H	α-helix	trans	-60.3	-41.9	178.5	-73.4	-26.9	0	0	0	112.5	D649 K655 E656 D657	D649-N653 WeakPolarHBondContact O-CB 3.28Å; D649-N653 PolarHBondContact O-N 3.37Å; D649-N653 PolarHBondContact O-ND2 3.19Å; N653-K655 VanDerWaalsContact C-N 3.28Å; N653-K655 PolarHBondContact O-N 3.16Å; N653-E656 PolarHBondContact O-N 3.44Å; N653-D657 WeakPolarHBondContact O-CB 3.38Å; N653-D657 PolarHBondContact O-N 2.73Å
654	L	73.3	Confident	77.6	Confident	82 Å²	82	92.8 Å²	92.8	43%	0.429	46%	0.456	S	S	.	.	H	α-helix	trans	-62.8	-36.1	176	-74.6	172.4	0	0	0	112.1	R650 L651 I652 S658	R650-L654 HydrophobicContact CG-CD1 4.35Å; R650-L654 WeakPolarHBondContact O-CB 3.33Å; R650-L654 VanDerWaalsContact O-CG 3.25Å; R650-L654 WeakPolarHBondContact O-CG 3.35Å; R650-L654 PolarHBondContact O-N 2.92Å; L651-L654 PolarHBondContact O-N 3.38Å; I652-L654 VanDerWaalsContact C-N 3.35Å; I652-L654 PolarHBondContact O-N 3.34Å; L654-S658 WeakPolarHBondContact O-CB 3.46Å; L654-S658 PolarHBondContact O-N 3.25Å
655	K	77.7	Confident	77.3	Confident	143 Å²	143	92.9 Å²	92.9	62%	0.622	46%	0.457	S	S	*	.	H	α-helix	trans	-69.2	-43.4	176.9	-168.4	175.6	-178.5	-179.6	0	111.7	L651 I652 N653 S658 I659	L651-K655 PolarHBondContact O-N 3Å; L651-K655 VanDerWaalsContact O-N 3.09Å; I652-K655 WeakPolarHBondContact O-CB 3.35Å; I652-K655 PolarHBondContact O-N 3.48Å; I652-K655 VanDerWaalsContact O-N 3.08Å; N653-K655 VanDerWaalsContact C-N 3.28Å; N653-K655 PolarHBondContact O-N 3.16Å; K655-S658 WeakPolarHBondContact O-CB 3.34Å; K655-S658 PolarHBondContact O-N 2.81Å; K655-I659 WeakPolarHBondContact O-CG1 3.39Å; K655-I659 PolarHBondContact O-N 3.39Å; K655-I659 VanDerWaalsContact O-N 3.11Å
656	E	82.1	Confident	77.2	Confident	104 Å²	104	90.1 Å²	90.1	49%	0.486	45%	0.448	S	S	.	.	H	α-helix	trans	-65.9	-43.4	176.2	-78.5	-177.3	169.2	0	0	112.8	I652 N653 S658 I659 R660	I652-E656 PolarHBondContact O-N 2.93Å; N653-E656 PolarHBondContact O-N 3.44Å; E656-S658 PolarHBondContact O-N 2.9Å; E656-I659 PolarHBondContact O-N 3.25Å; E656-R660 PolarHBondContact O-N 3.43Å
657	D	76.5	Confident	77	Confident	66 Å²	66	91 Å²	91	35%	0.353	45%	0.449	S	S	.	.	H	α-helix	trans	-63.5	-31.9	175.5	-83.4	-4.2	0	0	0	111.8	N653 R660 K661	N653-D657 WeakPolarHBondContact O-CB 3.38Å; N653-D657 PolarHBondContact O-N 2.73Å; D657-R660 IonicContact OD1-CZ 3.4Å; D657-R660 IonicContact OD1-NH1 3.08Å; D657-R660 IonicContact OD1-NH2 2.9Å; D657-R660 PolarHBondContact OD1-NH2 2.93Å; D657-R660 VanDerWaalsContact OD1-NH2 3.11Å; D657-K661 WeakPolarHBondContact O-CB 3.44Å; D657-K661 WeakPolarHBondContact O-CG 3.46Å; D657-K661 PolarHBondContact O-N 3.48Å; D657-K661 VanDerWaalsContact O-N 3.12Å
658	S	72.8	Confident	76.9	Confident	47 Å²	47	94 Å²	94	33%	0.329	46%	0.461	S	S	.	.	H	α-helix	trans	-64.9	-45.6	172.9	-168.6	0	0	0	0	111.8	L654 K655 E656 S662	L654-S658 WeakPolarHBondContact O-CB 3.46Å; L654-S658 PolarHBondContact O-N 3.25Å; K655-S658 WeakPolarHBondContact O-CB 3.34Å; K655-S658 PolarHBondContact O-N 2.81Å; E656-S658 PolarHBondContact O-N 2.9Å; S658-S662 PolarHBondContact O-N 2.93Å
659	I	76.2	Confident	76.3	Confident	94 Å²	94	94.9 Å²	94.9	48%	0.482	47%	0.465	S	S	.	.	H	α-helix	trans	-62.6	-48.3	177.4	-65.8	164.2	0	0	0	109.9	K655 E656 K661 S662 D663	K655-I659 WeakPolarHBondContact O-CG1 3.39Å; K655-I659 PolarHBondContact O-N 3.39Å; K655-I659 VanDerWaalsContact O-N 3.11Å; E656-I659 PolarHBondContact O-N 3.25Å; I659-K661 VanDerWaalsContact C-N 3.31Å; I659-K661 PolarHBondContact O-N 3.48Å; I659-S662 WeakPolarHBondContact O-CB 3.34Å; I659-S662 PolarHBondContact O-N 3.49Å; I659-S662 VanDerWaalsContact O-N 3.1Å; I659-D663 PolarHBondContact O-N 3.31Å
660	R	76.4	Confident	76.1	Confident	159 Å²	159	94.9 Å²	94.9	60%	0.6	47%	0.465	S	S	*	.	H	α-helix	trans	-61	-38.5	-177.6	-142.9	-173.6	-56.8	150	12.1	112.8	E656 D657 M664	E656-R660 PolarHBondContact O-N 3.43Å; D657-R660 IonicContact OD1-CZ 3.4Å; D657-R660 IonicContact OD1-NH1 3.08Å; D657-R660 IonicContact OD1-NH2 2.9Å; D657-R660 PolarHBondContact OD1-NH2 2.93Å; D657-R660 VanDerWaalsContact OD1-NH2 3.11Å; R660-M664 PolarHBondContact O-N 3.39Å
661	K	71.8	Confident	76	Confident	130 Å²	130	92.7 Å²	92.7	57%	0.565	46%	0.462	S	S	*	.	H	α-helix	trans	-71.7	-37.1	175.8	-74.9	175.9	-178.3	173.5	0	112.4	D657 I659 D663 M664 L665	D657-K661 WeakPolarHBondContact O-CB 3.44Å; D657-K661 WeakPolarHBondContact O-CG 3.46Å; D657-K661 PolarHBondContact O-N 3.48Å; D657-K661 VanDerWaalsContact O-N 3.12Å; I659-K661 VanDerWaalsContact C-N 3.31Å; I659-K661 PolarHBondContact O-N 3.48Å; K661-D663 VanDerWaalsContact C-N 3.35Å; K661-M664 PolarHBondContact O-N 3.2Å; K661-L665 WeakPolarHBondContact O-CB 3.48Å; K661-L665 PolarHBondContact O-N 3.27Å
662	S	70.3	Confident	75.4	Confident	58 Å²	58	94 Å²	94	41%	0.406	47%	0.467	S	S	.	.	H	α-helix	trans	-61.6	-44.1	173.5	-176.2	0	0	0	0	111.2	S658 I659 L665 N666	S658-S662 PolarHBondContact O-N 2.93Å; I659-S662 WeakPolarHBondContact O-CB 3.34Å; I659-S662 PolarHBondContact O-N 3.49Å; I659-S662 VanDerWaalsContact O-N 3.1Å; S662-L665 PolarHBondContact O-N 3.32Å; S662-N666 PolarHBondContact O-N 3.19Å; S662-N666 PolarHBondContact O-ND2 2.87Å
663	D	78.4	Confident	75	Confident	87 Å²	87	98.5 Å²	98.5	47%	0.465	48%	0.479	S	S	.	.	H	α-helix	trans	-63.4	-43.1	176.1	-68.2	-23	0	0	0	112.1	I659 K661 L665 N666 L667	I659-D663 PolarHBondContact O-N 3.31Å; K661-D663 VanDerWaalsContact C-N 3.35Å; D663-L665 VanDerWaalsContact C-N 3.35Å; D663-L665 PolarHBondContact O-N 2.89Å; D663-N666 PolarHBondContact O-N 3.24Å; D663-L667 WeakPolarHBondContact O-CG 3.5Å; D663-L667 PolarHBondContact O-N 3.45Å
664	M	76.7	Confident	74.8	Confident	114 Å²	114	98.7 Å²	98.7	56%	0.562	48%	0.48	S	S	*	.	H	α-helix	trans	-60.7	-42.8	176.3	-175.7	-175.9	172	0	0	112.2	R660 K661 L667 Q668	R660-M664 PolarHBondContact O-N 3.39Å; K661-M664 PolarHBondContact O-N 3.2Å; M664-L667 WeakPolarHBondContact O-CB 3.36Å; M664-L667 PolarHBondContact O-N 3.04Å; M664-Q668 PolarHBondContact O-N 3.38Å; M664-Q668 VanDerWaalsContact O-N 3.08Å
665	L	70	Confident	74.6	Confident	46 Å²	46	99.3 Å²	99.3	24%	0.241	48%	0.482	C	S	.	.	H	α-helix	trans	-64.3	-42.5	176.1	178.2	76.8	0	0	0	111.6	K661 S662 D663 L667 Q668 L669 L751	K661-L665 WeakPolarHBondContact O-CB 3.48Å; K661-L665 PolarHBondContact O-N 3.27Å; S662-L665 PolarHBondContact O-N 3.32Å; D663-L665 VanDerWaalsContact C-N 3.35Å; D663-L665 PolarHBondContact O-N 2.89Å; L665-L667 VanDerWaalsContact C-N 3.27Å; L665-L667 PolarHBondContact O-N 2.88Å; L665-Q668 PolarHBondContact O-N 3.38Å; L665-L669 HydrophobicContact CG-CD1 4.28Å; L665-L669 WeakPolarHBondContact O-CG 3.46Å; L665-L669 PolarHBondContact O-N 2.76Å; L665-L751 HydrophobicContact CD1-CD2 4.14Å; L665-L751 HydrophobicContact CD2-CD1 3.77Å; L665-L751 HydrophobicContact CD2-CD2 3.2Å; L665-L751 HydrophobicContact CD2-CG 4.12Å; L665-L751 HydrophobicContact CG-CD2 4.28Å
666	N	77.6	Confident	74.2	Confident	76 Å²	76	96 Å²	96	41%	0.406	47%	0.467	S	S	.	.	H	α-helix	trans	-60.8	-38.3	176.1	-74.7	-32.4	0	0	0	111.6	S662 D663 L669 I670	S662-N666 PolarHBondContact O-N 3.19Å; S662-N666 PolarHBondContact O-ND2 2.87Å; D663-N666 PolarHBondContact O-N 3.24Å; N666-L669 PolarHBondContact O-N 3.47Å; N666-I670 WeakPolarHBondContact O-CD1 3.4Å; N666-I670 VanDerWaalsContact O-CG1 3.28Å; N666-I670 WeakPolarHBondContact O-CG1 3.48Å; N666-I670 PolarHBondContact O-N 3.48Å
667	L	79.3	Confident	73.9	Confident	117 Å²	117	94.4 Å²	94.4	61%	0.613	46%	0.463	S	S	*	.	H	α-helix	trans	-63.5	-43.2	173.7	-70.6	170.5	0	0	0	112.2	D663 M664 L665 L669 I670 E671	D663-L667 WeakPolarHBondContact O-CG 3.5Å; D663-L667 PolarHBondContact O-N 3.45Å; M664-L667 WeakPolarHBondContact O-CB 3.36Å; M664-L667 PolarHBondContact O-N 3.04Å; L665-L667 VanDerWaalsContact C-N 3.27Å; L665-L667 PolarHBondContact O-N 2.88Å; L667-L669 VanDerWaalsContact C-N 3.34Å; L667-L669 PolarHBondContact O-N 3.34Å; L667-I670 PolarHBondContact O-N 3.05Å; L667-E671 PolarHBondContact O-N 3.16Å
668	Q	74	Confident	73.9	Confident	96 Å²	96	96.5 Å²	96.5	45%	0.449	47%	0.47	S	S	.	.	H	α-helix	trans	-63.4	-38.8	175.7	-73.2	-177.9	-29.2	0	0	112.4	M664 L665 I670 E671 M672	M664-Q668 PolarHBondContact O-N 3.38Å; M664-Q668 VanDerWaalsContact O-N 3.08Å; L665-Q668 PolarHBondContact O-N 3.38Å; Q668-I670 VanDerWaalsContact C-N 3.32Å; Q668-I670 PolarHBondContact O-N 2.99Å; Q668-E671 PolarHBondContact O-N 2.86Å; Q668-M672 WeakPolarHBondContact O-CB 3.22Å; Q668-M672 WeakPolarHBondContact O-CG 3.33Å; Q668-M672 PolarHBondContact O-N 3.46Å
669	L	71.5	Confident	73.7	Confident	81 Å²	81	100.3 Å²	100.3	42%	0.424	48%	0.482	S	S	.	.	H	α-helix	trans	-63.4	-38.8	175.1	-75.1	166.9	0	0	0	111.9	L665 N666 L667 R673	L665-L669 HydrophobicContact CG-CD1 4.28Å; L665-L669 WeakPolarHBondContact O-CG 3.46Å; L665-L669 PolarHBondContact O-N 2.76Å; N666-L669 PolarHBondContact O-N 3.47Å; L667-L669 VanDerWaalsContact C-N 3.34Å; L667-L669 PolarHBondContact O-N 3.34Å; L669-R673 WeakPolarHBondContact O-CB 3.41Å; L669-R673 PolarHBondContact O-N 3.45Å
670	I	77.6	Confident	73.5	Confident	93 Å²	93	99.9 Å²	99.9	48%	0.477	48%	0.48	S	S	.	.	H	α-helix	trans	-66.4	-43.2	175.2	-68.2	163.6	0	0	0	110.9	N666 L667 Q668 R673 N674	N666-I670 WeakPolarHBondContact O-CD1 3.4Å; N666-I670 VanDerWaalsContact O-CG1 3.28Å; N666-I670 WeakPolarHBondContact O-CG1 3.48Å; N666-I670 PolarHBondContact O-N 3.48Å; L667-I670 PolarHBondContact O-N 3.05Å; Q668-I670 VanDerWaalsContact C-N 3.32Å; Q668-I670 PolarHBondContact O-N 2.99Å; I670-R673 WeakPolarHBondContact O-CB 3.45Å; I670-R673 PolarHBondContact O-N 2.98Å; I670-N674 VanDerWaalsContact O-CG 3.28Å; I670-N674 PolarHBondContact O-N 2.86Å; I670-N674 PolarHBondContact O-ND2 3.35Å
671	E	76.9	Confident	73.6	Confident	124 Å²	124	97 Å²	97	58%	0.579	48%	0.477	S	S	*	.	H	α-helix	trans	-61	-46.9	176.9	-175.6	176.5	-174.3	0	0	111.9	L667 Q668 R673 N674 M675	L667-E671 PolarHBondContact O-N 3.16Å; Q668-E671 PolarHBondContact O-N 2.86Å; E671-R673 VanDerWaalsContact C-N 3.32Å; E671-R673 PolarHBondContact O-N 2.83Å; E671-N674 PolarHBondContact O-N 3.41Å; E671-M675 PolarHBondContact O-N 2.77Å
672	M	63.2	Low	73.4	Confident	86 Å²	86	96 Å²	96	42%	0.424	47%	0.474	S	S	.	.	H	α-helix	trans	-58.3	-44.1	175	-74.9	-70.5	-66.4	0	0	111.9	Q668 N674 M675 F676	Q668-M672 WeakPolarHBondContact O-CB 3.22Å; Q668-M672 WeakPolarHBondContact O-CG 3.33Å; Q668-M672 PolarHBondContact O-N 3.46Å; M672-N674 VanDerWaalsContact C-N 3.34Å; M672-N674 PolarHBondContact O-N 3.21Å; M672-M675 PolarHBondContact O-N 2.95Å; M672-M675 HydrophobicContact SD-CE 3.49Å; M672-M675 WeakPolarHBondContact SD-CE 3.43Å; M672-F676 HydrophobicContact CE-CE2 4.18Å; M672-F676 WeakPolarHBondContact O-CD2 3.28Å; M672-F676 PolarHBondContact O-N 3.2Å
673	R	70.9	Confident	73.1	Confident	173 Å²	173	98.2 Å²	98.2	65%	0.653	47%	0.473	S	S	*	.	H	α-helix	trans	-60	-44.2	176.4	-176.1	177.6	180	170.9	2.2	111.8	L669 I670 E671 M675 F676 D677	L669-R673 WeakPolarHBondContact O-CB 3.41Å; L669-R673 PolarHBondContact O-N 3.45Å; I670-R673 WeakPolarHBondContact O-CB 3.45Å; I670-R673 PolarHBondContact O-N 2.98Å; E671-R673 VanDerWaalsContact C-N 3.32Å; E671-R673 PolarHBondContact O-N 2.83Å; R673-M675 VanDerWaalsContact C-N 3.33Å; R673-M675 PolarHBondContact O-N 3.42Å; R673-F676 PolarHBondContact O-N 3.35Å; R673-D677 PolarHBondContact O-N 3.41Å
674	N	78.1	Confident	72.9	Confident	97 Å²	97	97.6 Å²	97.6	52%	0.519	47%	0.47	S	S	.	.	H	α-helix	trans	-62.9	-38.3	177.7	-68.8	-20.6	0	0	0	112.3	I670 E671 M672 D677 H678	I670-N674 VanDerWaalsContact O-CG 3.28Å; I670-N674 PolarHBondContact O-N 2.86Å; I670-N674 PolarHBondContact O-ND2 3.35Å; E671-N674 PolarHBondContact O-N 3.41Å; M672-N674 VanDerWaalsContact C-N 3.34Å; M672-N674 PolarHBondContact O-N 3.21Å; N674-D677 PolarHBondContact O-N 2.85Å; N674-H678 PolarHBondContact O-N 2.94Å
675	M	68.5	Low	72.6	Confident	95 Å²	95	97.1 Å²	97.1	47%	0.468	47%	0.467	S	S	.	.	H	α-helix	trans	-64.7	-40.9	174.3	-67.7	-161.5	-51.2	0	0	112.2	E671 M672 R673 H678 H679	E671-M675 PolarHBondContact O-N 2.77Å; M672-M675 PolarHBondContact O-N 2.95Å; M672-M675 HydrophobicContact SD-CE 3.49Å; M672-M675 WeakPolarHBondContact SD-CE 3.43Å; R673-M675 VanDerWaalsContact C-N 3.33Å; R673-M675 PolarHBondContact O-N 3.42Å; M675-H678 PolarHBondContact O-N 3.46Å; M675-H679 PolarHBondContact O-CD2 3.12Å; M675-H679 VanDerWaalsContact O-CD2 3.3Å; M675-H679 PolarHBondContact O-N 3.14Å
676	F	68.9	Low	72.5	Confident	72 Å²	72	101.6 Å²	101.6	32%	0.316	48%	0.484	S	S	.	.	H	α-helix	trans	-63.3	-45.9	175.7	-91.6	-73.3	0	0	0	111.9	M672 R673 H678 H679 I680 L740	M672-F676 HydrophobicContact CE-CE2 4.18Å; M672-F676 WeakPolarHBondContact O-CD2 3.28Å; M672-F676 PolarHBondContact O-N 3.2Å; R673-F676 PolarHBondContact O-N 3.35Å; F676-H678 PolarHBondContact O-N 3.41Å; F676-H679 PolarHBondContact O-N 3.03Å; F676-H679 VanDerWaalsContact O-N 3.16Å; F676-I680 VanDerWaalsContact O-CG1 3.32Å; F676-I680 WeakPolarHBondContact O-CG1 3.39Å; F676-I680 PolarHBondContact O-N 3.35Å; F676-L740 HydrophobicContact CE1-CD1 4.22Å; F676-L740 HydrophobicContact CE1-CD2 4.47Å; F676-L740 HydrophobicContact CE2-CD1 3.8Å; F676-L740 HydrophobicContact CZ-CD1 3.55Å
677	D	75.4	Confident	71.8	Confident	72 Å²	72	103.4 Å²	103.4	39%	0.385	49%	0.486	S	S	.	.	H	α-helix	trans	-60.8	-36.3	177.2	-73.2	-25.3	0	0	0	111.3	R673 N674 N681	R673-D677 PolarHBondContact O-N 3.41Å; N674-D677 PolarHBondContact O-N 2.85Å; D677-N681 PolarHBondContact O-N 2.8Å; D677-N681 VanDerWaalsContact O-N 3.08Å; D677-N681 PolarHBondContact O-ND2 2.93Å; D677-N681 VanDerWaalsContact O-ND2 3.1Å
678	H	77.2	Confident	71.2	Confident	109 Å²	109	104 Å²	104	51%	0.505	49%	0.488	S	S	.	.	H	α-helix	trans	-63.6	-47.5	173.1	-177	60.8	0	0	0	112.5	N674 M675 F676 I680 N681 E682	N674-H678 PolarHBondContact O-N 2.94Å; M675-H678 PolarHBondContact O-N 3.46Å; F676-H678 PolarHBondContact O-N 3.41Å; H678-I680 VanDerWaalsContact C-N 3.33Å; H678-I680 PolarHBondContact O-N 2.96Å; H678-N681 PolarHBondContact O-N 3.48Å; H678-E682 IonicContact CE1-OE1 3.35Å; H678-E682 PolarHBondContact O-N 3.44Å
679	H	68	Low	70.9	Confident	127 Å²	127	105.3 Å²	105.3	59%	0.588	49%	0.492	S	S	*	.	H	α-helix	trans	-62.4	-38.7	177.8	-82.6	-61.1	0	0	0	113.1	M675 F676 N681 E682 W683	M675-H679 PolarHBondContact O-CD2 3.12Å; M675-H679 VanDerWaalsContact O-CD2 3.3Å; M675-H679 PolarHBondContact O-N 3.14Å; F676-H679 PolarHBondContact O-N 3.03Å; F676-H679 VanDerWaalsContact O-N 3.16Å; H679-N681 VanDerWaalsContact C-N 3.33Å; H679-E682 PolarHBondContact O-N 2.97Å; H679-W683 WeakPolarHBondContact O-CB 3.43Å; H679-W683 PolarHBondContact O-N 3.06Å
680	I	73.4	Confident	70.4	Confident	86 Å²	86	104.4 Å²	104.4	44%	0.441	48%	0.483	S	S	.	.	H	α-helix	trans	-63	-42.7	175.7	-69.1	165.4	0	0	0	110.4	F676 H678 W683 N684	F676-I680 VanDerWaalsContact O-CG1 3.32Å; F676-I680 WeakPolarHBondContact O-CG1 3.39Å; F676-I680 PolarHBondContact O-N 3.35Å; H678-I680 VanDerWaalsContact C-N 3.33Å; H678-I680 PolarHBondContact O-N 2.96Å; I680-W683 PolarHBondContact O-N 3.49Å; I680-N684 VanDerWaalsContact O-CG 3.32Å; I680-N684 PolarHBondContact O-N 3.19Å; I680-N684 PolarHBondContact O-ND2 3.36Å
681	N	77.3	Confident	69.8	Low	99 Å²	99	102.6 Å²	102.6	53%	0.529	47%	0.474	S	S	.	.	H	α-helix	trans	-64.9	-43.2	178.1	-71.3	-28	0	0	0	112.6	D677 H678 H679 W683 N684 H685	D677-N681 PolarHBondContact O-N 2.8Å; D677-N681 VanDerWaalsContact O-N 3.08Å; D677-N681 PolarHBondContact O-ND2 2.93Å; D677-N681 VanDerWaalsContact O-ND2 3.1Å; H678-N681 PolarHBondContact O-N 3.48Å; H679-N681 VanDerWaalsContact C-N 3.33Å; N681-W683 VanDerWaalsContact C-N 3.31Å; N681-W683 PolarHBondContact O-N 2.96Å; N681-N684 PolarHBondContact O-N 2.74Å; N681-H685 PolarHBondContact O-N 3.48Å
682	E	67.8	Low	69.3	Low	108 Å²	108	102.9 Å²	102.9	51%	0.505	48%	0.475	S	S	.	.	H	α-helix	trans	-61.5	-40.4	174.8	-73.5	-62.3	120.3	0	0	111.7	H678 H679 H685 F686	H678-E682 IonicContact CE1-OE1 3.35Å; H678-E682 PolarHBondContact O-N 3.44Å; H679-E682 PolarHBondContact O-N 2.97Å; E682-H685 WeakPolarHBondContact O-CB 3.47Å; E682-H685 PolarHBondContact O-N 3.17Å; E682-F686 PolarHBondContact O-N 3.35Å
683	W	64.1	Low	69.1	Low	104 Å²	104	101.2 Å²	101.2	39%	0.394	47%	0.472	S	S	.	.	H	α-helix	trans	-65	-44.9	177.4	-169.7	85.8	0	0	0	112.1	H679 I680 N681 H685 F686 Y687	H679-W683 WeakPolarHBondContact O-CB 3.43Å; H679-W683 PolarHBondContact O-N 3.06Å; I680-W683 PolarHBondContact O-N 3.49Å; N681-W683 VanDerWaalsContact C-N 3.31Å; N681-W683 PolarHBondContact O-N 2.96Å; W683-H685 PolarHBondContact O-N 3.35Å; W683-F686 WeakPolarHBondContact O-CB 3.49Å; W683-F686 PolarHBondContact O-N 3.37Å; W683-Y687 HydrophobicContact CH2-CD2 4.42Å; W683-Y687 PolarHBondContact O-N 3.22Å
684	N	74.6	Confident	68.4	Low	75 Å²	75	94.4 Å²	94.4	40%	0.401	45%	0.449	S	S	.	.	H	α-helix	trans	-59.6	-38.3	174.2	-72.9	-30.4	0	0	0	111.5	I680 N681 Y687 M688	I680-N684 VanDerWaalsContact O-CG 3.32Å; I680-N684 PolarHBondContact O-N 3.19Å; I680-N684 PolarHBondContact O-ND2 3.36Å; N681-N684 PolarHBondContact O-N 2.74Å; N684-Y687 PolarHBondContact O-N 2.94Å; N684-M688 VanDerWaalsContact O-CG 3.26Å; N684-M688 WeakPolarHBondContact O-CG 3.4Å; N684-M688 PolarHBondContact O-N 3.46Å
685	H	70.9	Confident	67.3	Low	104 Å²	104	94.7 Å²	94.7	48%	0.481	45%	0.45	S	S	.	.	H	α-helix	trans	-66.2	-41.2	176.6	-163.9	76.4	0	0	0	112.3	N681 E682 W683 M688 K689	N681-H685 PolarHBondContact O-N 3.48Å; E682-H685 WeakPolarHBondContact O-CB 3.47Å; E682-H685 PolarHBondContact O-N 3.17Å; W683-H685 PolarHBondContact O-N 3.35Å; H685-M688 PolarHBondContact O-N 2.95Å; H685-K689 VanDerWaalsContact NE2-CE 3.33Å; H685-K689 WeakPolarHBondContact NE2-CE 3.24Å; H685-K689 PolarHBondContact NE2-NZ 3.29Å; H685-K689 PolarHBondContact O-N 3.45Å
686	F	66.3	Low	66.7	Low	139 Å²	139	95.2 Å²	95.2	61%	0.61	45%	0.454	S	S	*	.	H	α-helix	trans	-61.7	-46	173.6	178.8	-96.4	0	0	0	111.8	E682 W683 M688 K689 Y690	E682-F686 PolarHBondContact O-N 3.35Å; W683-F686 WeakPolarHBondContact O-CB 3.49Å; W683-F686 PolarHBondContact O-N 3.37Å; F686-M688 VanDerWaalsContact C-N 3.33Å; F686-M688 PolarHBondContact O-N 3.38Å; F686-K689 PolarHBondContact O-N 2.91Å; F686-Y690 PolarHBondContact O-N 2.9Å
687	Y	64.7	Low	65.8	Low	115 Å²	115	95 Å²	95	45%	0.451	46%	0.455	S	S	.	.	H	α-helix	trans	-61	-41.3	178.4	-173.8	-101	0	0	0	112.2	W683 N684 Y690 N691	W683-Y687 HydrophobicContact CH2-CD2 4.42Å; W683-Y687 PolarHBondContact O-N 3.22Å; N684-Y687 PolarHBondContact O-N 2.94Å; Y687-Y690 PolarHBondContact O-N 3.26Å; Y687-N691 WeakPolarHBondContact CE1-ND2 3.49Å; Y687-N691 PolarHBondContact O-N 3.37Å
688	M	66.9	Low	64.5	Low	130 Å²	130	98.6 Å²	98.6	64%	0.64	46%	0.464	S	S	*	.	H	α-helix	trans	-65.5	-40.8	175.7	-69.5	-67.3	-101.8	0	0	112.2	N684 H685 F686 Y690 N691 Q692	N684-M688 VanDerWaalsContact O-CG 3.26Å; N684-M688 WeakPolarHBondContact O-CG 3.4Å; N684-M688 PolarHBondContact O-N 3.46Å; H685-M688 PolarHBondContact O-N 2.95Å; F686-M688 VanDerWaalsContact C-N 3.33Å; F686-M688 PolarHBondContact O-N 3.38Å; M688-Y690 VanDerWaalsContact C-N 3.34Å; M688-N691 PolarHBondContact O-N 2.92Å; M688-Q692 WeakPolarHBondContact O-CB 3.03Å; M688-Q692 PolarHBondContact O-N 3.39Å
689	K	66.2	Low	63.3	Low	123 Å²	123	96.8 Å²	96.8	54%	0.535	46%	0.463	S	S	.	.	H	α-helix	trans	-62.3	-40.8	173.7	-84.3	179	176.5	168.5	0	112.2	H685 F686 Q692 S693	H685-K689 VanDerWaalsContact NE2-CE 3.33Å; H685-K689 WeakPolarHBondContact NE2-CE 3.24Å; H685-K689 PolarHBondContact NE2-NZ 3.29Å; H685-K689 PolarHBondContact O-N 3.45Å; F686-K689 PolarHBondContact O-N 2.91Å; K689-Q692 PolarHBondContact O-N 3.1Å; K689-S693 PolarHBondContact O-N 3.43Å; K689-S693 PolarHBondContact O-OG 3.18Å
690	Y	62.4	Low	62.6	Low	61 Å²	61	94.1 Å²	94.1	24%	0.239	46%	0.459	C	S	.	.	H	α-helix	trans	-60.7	-51.8	176.5	-179.8	-97.1	0	0	0	111.2	F686 Y687 M688 Q692 S693 D694 D722 L725	F686-Y690 PolarHBondContact O-N 2.9Å; Y687-Y690 PolarHBondContact O-N 3.26Å; M688-Y690 VanDerWaalsContact C-N 3.34Å; Y690-Q692 VanDerWaalsContact C-N 3.29Å; Y690-Q692 PolarHBondContact O-N 3.45Å; Y690-S693 PolarHBondContact O-N 3.36Å; Y690-S693 PolarHBondContact O-OG 2.87Å; Y690-D694 PolarHBondContact O-N 2.95Å; Y690-D722 PolarHBondContact OH-OD1 3.43Å; Y690-L725 HydrophobicContact CD1-CD2 4.35Å; Y690-L725 HydrophobicContact CD2-CD2 4.12Å; Y690-L725 HydrophobicContact CE1-CD2 3.77Å; Y690-L725 HydrophobicContact CE2-CD2 3.5Å; Y690-L725 VanDerWaalsContact CE2-CD2 3.5Å; Y690-L725 WeakPolarHBondContact OH-CD2 3.32Å
691	N	64	Low	61.4	Low	55 Å²	55	94.3 Å²	94.3	29%	0.294	46%	0.458	S	S	.	.	H	α-helix	trans	-62.9	-35.4	178	-74.2	-21.9	0	0	0	112.9	Y687 M688 S693 D694 N695	Y687-N691 WeakPolarHBondContact CE1-ND2 3.49Å; Y687-N691 PolarHBondContact O-N 3.37Å; M688-N691 PolarHBondContact O-N 2.92Å; N691-S693 VanDerWaalsContact C-N 3.34Å; N691-D694 PolarHBondContact O-N 2.88Å; N691-N695 PolarHBondContact O-N 3.44Å; N691-N695 VanDerWaalsContact O-N 3.1Å; N691-N695 PolarHBondContact O-ND2 2.96Å
692	Q	66.3	Low	59.9	Low	130 Å²	130	100.5 Å²	100.5	61%	0.607	47%	0.474	S	S	*	.	H	α-helix	trans	-64.7	-40.4	173.8	-170.8	175.5	4.4	0	0	111.5	M688 K689 Y690 N695 I696	M688-Q692 WeakPolarHBondContact O-CB 3.03Å; M688-Q692 PolarHBondContact O-N 3.39Å; K689-Q692 PolarHBondContact O-N 3.1Å; Y690-Q692 VanDerWaalsContact C-N 3.29Å; Y690-Q692 PolarHBondContact O-N 3.45Å; Q692-N695 PolarHBondContact O-N 2.84Å; Q692-I696 WeakPolarHBondContact O-CG1 3.37Å; Q692-I696 PolarHBondContact O-N 3.21Å
693	S	59.6	Low	59	Low	51 Å²	51	103 Å²	103	36%	0.357	49%	0.49	S	S	.	.	H	α-helix	trans	-66.5	-37.2	175.1	69.1	0	0	0	0	112.8	K689 Y690 N691 N695 I696 I697	K689-S693 PolarHBondContact O-N 3.43Å; K689-S693 PolarHBondContact O-OG 3.18Å; Y690-S693 PolarHBondContact O-N 3.36Å; Y690-S693 PolarHBondContact O-OG 2.87Å; N691-S693 VanDerWaalsContact C-N 3.34Å; S693-N695 PolarHBondContact O-N 3.29Å; S693-I696 PolarHBondContact O-N 3.46Å; S693-I697 WeakPolarHBondContact O-CG1 3.09Å; S693-I697 PolarHBondContact O-N 3.19Å; S693-I697 VanDerWaalsContact O-N 3.08Å
694	D	55.6	Low	58.2	Low	30 Å²	30	102.1 Å²	102.1	16%	0.16	50%	0.5	C	S	.	.	H	α-helix	trans	-64.6	-40.2	176.4	-166.4	53.6	0	0	0	111.8	Y690 N691 I696 I697 R698	Y690-D694 PolarHBondContact O-N 2.95Å; N691-D694 PolarHBondContact O-N 2.88Å; D694-I696 VanDerWaalsContact C-N 3.33Å; D694-I696 PolarHBondContact O-N 2.91Å; D694-I697 PolarHBondContact O-N 3.4Å; D694-R698 WeakPolarHBondContact O-CG 3.39Å; D694-R698 PolarHBondContact O-N 3.32Å; D694-R698 IonicContact OD2-CZ 3.62Å; D694-R698 IonicContact OD2-NE 2.84Å; D694-R698 PolarHBondContact OD2-NE 2.86Å; D694-R698 IonicContact OD2-NH2 3.19Å; D694-R698 PolarHBondContact OD2-NH2 3.43Å
695	N	56.3	Low	56.8	Low	103 Å²	103	106 Å²	106	55%	0.551	52%	0.52	S	S	*	.	H	α-helix	trans	-63.6	-36.6	174.8	-76.6	-26.8	0	0	0	112.8	N691 Q692 S693 R698 S699	N691-N695 PolarHBondContact O-N 3.44Å; N691-N695 VanDerWaalsContact O-N 3.1Å; N691-N695 PolarHBondContact O-ND2 2.96Å; Q692-N695 PolarHBondContact O-N 2.84Å; S693-N695 PolarHBondContact O-N 3.29Å; N695-R698 PolarHBondContact O-N 3.28Å; N695-S699 PolarHBondContact O-N 3.37Å
696	I	54.7	Low	55.7	Low	106 Å²	106	108.3 Å²	108.3	54%	0.544	54%	0.536	S	S	.	.	H	α-helix	trans	-64.4	-44.1	175	-65.9	166.5	0	0	0	109.8	Q692 S693 D694 R698 S699 S700	Q692-I696 WeakPolarHBondContact O-CG1 3.37Å; Q692-I696 PolarHBondContact O-N 3.21Å; S693-I696 PolarHBondContact O-N 3.46Å; D694-I696 VanDerWaalsContact C-N 3.33Å; D694-I696 PolarHBondContact O-N 2.91Å; I696-R698 PolarHBondContact O-N 3.41Å; I696-S699 PolarHBondContact O-N 3.31Å; I696-S699 PolarHBondContact O-OG 2.76Å; I696-S700 PolarHBondContact O-N 2.92Å; I696-S700 VanDerWaalsContact O-N 3.11Å
697	I	49.4	Very low	54.5	Low	67 Å²	67	110 Å²	110	34%	0.344	54%	0.544	S	S	.	.	H	α-helix	trans	-59.2	-48.7	176.7	-64.8	166.4	0	0	0	110.4	S693 D694 S699 S700 E701	S693-I697 WeakPolarHBondContact O-CG1 3.09Å; S693-I697 PolarHBondContact O-N 3.19Å; S693-I697 VanDerWaalsContact O-N 3.08Å; D694-I697 PolarHBondContact O-N 3.4Å; I697-S699 VanDerWaalsContact C-N 3.28Å; I697-S699 PolarHBondContact O-N 2.66Å; I697-S700 PolarHBondContact O-N 3.13Å; I697-S700 VanDerWaalsContact O-N 3.15Å; I697-S700 PolarHBondContact O-OG 2.96Å; I697-E701 PolarHBondContact O-N 3.42Å
698	R	49.3	Very low	53.6	Low	148 Å²	148	111.3 Å²	111.3	56%	0.558	56%	0.558	S	S	*	*	H	α-helix	trans	-60	-35	176.8	-69.7	-177.9	-159.8	-143.4	3.7	113.5	D694 N695 I696	D694-R698 WeakPolarHBondContact O-CG 3.39Å; D694-R698 PolarHBondContact O-N 3.32Å; D694-R698 IonicContact OD2-CZ 3.62Å; D694-R698 IonicContact OD2-NE 2.84Å; D694-R698 PolarHBondContact OD2-NE 2.86Å; D694-R698 IonicContact OD2-NH2 3.19Å; D694-R698 PolarHBondContact OD2-NH2 3.43Å; N695-R698 PolarHBondContact O-N 3.28Å; I696-R698 PolarHBondContact O-N 3.41Å
699	S	51.9	Low	52.6	Low	71 Å²	71	113.9 Å²	113.9	50%	0.497	57%	0.566	S	S	.	*	H	α-helix	trans	-70.9	-33.3	178.3	73.5	0	0	0	0	112.7	N695 I696 I697 E701 R702	N695-S699 PolarHBondContact O-N 3.37Å; I696-S699 PolarHBondContact O-N 3.31Å; I696-S699 PolarHBondContact O-OG 2.76Å; I697-S699 VanDerWaalsContact C-N 3.28Å; I697-S699 PolarHBondContact O-N 2.66Å; S699-E701 VanDerWaalsContact C-N 3.34Å; S699-R702 PolarHBondContact O-N 2.76Å
700	S	52.4	Low	51.8	Low	72 Å²	72	113.8 Å²	113.8	50%	0.503	57%	0.572	S	S	.	*	H	α-helix	trans	-70	-29.8	177.8	71.1	0	0	0	0	113	I696 I697 R702 L703	I696-S700 PolarHBondContact O-N 2.92Å; I696-S700 VanDerWaalsContact O-N 3.11Å; I697-S700 PolarHBondContact O-N 3.13Å; I697-S700 VanDerWaalsContact O-N 3.15Å; I697-S700 PolarHBondContact O-OG 2.96Å; S700-R702 PolarHBondContact O-N 3.08Å; S700-L703 PolarHBondContact O-N 3.43Å
701	E	48.4	Very low	51.2	Low	89 Å²	89	114.7 Å²	114.7	42%	0.416	59%	0.587	S	S	.	*	H	α-helix	trans	-72.8	-25.1	178.9	-74.9	-177.2	150.1	0	0	113.3	I697 S699 L703 S704 R718	I697-E701 PolarHBondContact O-N 3.42Å; S699-E701 VanDerWaalsContact C-N 3.34Å; E701-L703 PolarHBondContact O-N 3.33Å; E701-L703 VanDerWaalsContact O-N 3.14Å; E701-S704 PolarHBondContact O-N 2.92Å; E701-R718 IonicContact OE1-CZ 3.19Å; E701-R718 IonicContact OE1-NE 3.14Å; E701-R718 PolarHBondContact OE1-NE 2.96Å; E701-R718 VanDerWaalsContact OE1-NE 3.14Å; E701-R718 IonicContact OE1-NH2 2.71Å; E701-R718 PolarHBondContact OE1-NH2 2.85Å
702	R	47.2	Very low	50.6	Low	229 Å²	229	117.9 Å²	117.9	86%	0.864	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-11.2	175.3	-72.5	-170.4	-168.8	164.3	4.1	114	S699 S700	S699-R702 PolarHBondContact O-N 2.76Å; S700-R702 PolarHBondContact O-N 3.08Å
703	L	48.8	Very low	49.7	Very low	160 Å²	160	118.2 Å²	118.2	84%	0.838	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	1.7	177.2	-77.8	159.6	0	0	0	113.5	S700 E701	S700-L703 PolarHBondContact O-N 3.43Å; E701-L703 PolarHBondContact O-N 3.33Å; E701-L703 VanDerWaalsContact O-N 3.14Å
704	S	46.7	Very low	49.3	Very low	86 Å²	86	119.9 Å²	119.9	60%	0.601	61%	0.61	S	S	*	*			trans	-104.5	80.7	-179.9	165.4	0	0	0	0	110.6	E701 N706	E701-S704 PolarHBondContact O-N 2.92Å; S704-N706 PolarHBondContact O-N 3.28Å
705	D	44.3	Very low	49.3	Very low	156 Å²	156	120.6 Å²	120.6	83%	0.834	62%	0.62	S	S	*	*			trans	-73.3	34.2	177.9	-112.3	-10.3	0	0	0	113.9	K707	D705-K707 PolarHBondContact O-N 3.1Å
706	N	47.6	Very low	49.3	Very low	153 Å²	153	118.2 Å²	118.2	82%	0.818	62%	0.615	S	S	*	*			trans	-101.2	93.2	174.5	-85.2	-8.7	0	0	0	110.4	S704	S704-N706 PolarHBondContact O-N 3.28Å
707	K	41.6	Very low	49.5	Very low	176 Å²	176	120.5 Å²	120.5	77%	0.765	62%	0.621	S	S	*	*			trans	-49.2	142.7	166.2	-72.7	176.3	175.2	172.8	0	111.5	D705	D705-K707 PolarHBondContact O-N 3.1Å
708	D	45.4	Very low	50	Low	141 Å²	141	121.9 Å²	121.9	75%	0.754	62%	0.622	S	S	*	*	S	Bend	trans	85.4	116.1	153.7	-50.8	-29.5	0	0	0	116.9	N710	D708-N710 PolarHBondContact O-N 2.93Å
709	F	47.1	Very low	50.7	Low	184 Å²	184	120.5 Å²	120.5	81%	0.807	62%	0.624	S	S	*	*	S	Bend	trans	88.5	-32	162.3	-111.3	-96.9	0	0	0	120.7
710	N	48.3	Very low	51.2	Low	122 Å²	122	121 Å²	121	65%	0.652	62%	0.619	S	S	*	*	S	Bend	trans	-96.8	-7.8	179.8	-93.5	-14.4	0	0	0	115.4	D708 N714	D708-N710 PolarHBondContact O-N 2.93Å; N710-N714 PolarHBondContact O-ND2 3.43Å
711	S	51	Low	51.7	Low	80 Å²	80	119.9 Å²	119.9	56%	0.559	61%	0.611	S	S	*	*	H	α-helix	trans	-72.3	-36.9	178.1	68.2	0	0	0	0	112.9	N714 A715	S711-N714 PolarHBondContact O-N 2.93Å; S711-A715 WeakPolarHBondContact O-CB 3.45Å; S711-A715 PolarHBondContact O-N 2.82Å
712	D	50.9	Low	52.6	Low	122 Å²	122	118.9 Å²	118.9	65%	0.652	61%	0.609	S	S	*	*	H	α-helix	trans	-71.7	-39.4	-173.4	-79.8	-1.1	0	0	0	112.6	A716	D712-A716 VanDerWaalsContact O-CB 3.24Å; D712-A716 WeakPolarHBondContact O-CB 3.45Å; D712-A716 PolarHBondContact O-N 2.78Å
713	H	47.2	Very low	53.5	Low	137 Å²	137	114.6 Å²	114.6	63%	0.634	59%	0.593	S	S	*	*	H	α-helix	trans	-69.4	-39.4	175.7	-76.3	-35.2	0	0	0	112.4	F717	H713-F717 WeakPolarHBondContact O-CB 3.25Å; H713-F717 PolarHBondContact O-N 2.76Å
714	N	50.9	Low	54.2	Low	85 Å²	85	111.8 Å²	111.8	46%	0.455	58%	0.578	S	S	.	*	H	α-helix	trans	-68.9	-39.1	176.1	-72.5	-18.5	0	0	0	111.6	N710 S711 F717 R718	N710-N714 PolarHBondContact O-ND2 3.43Å; S711-N714 PolarHBondContact O-N 2.93Å; N714-F717 PolarHBondContact O-N 2.82Å; N714-R718 WeakPolarHBondContact O-CB 3.24Å; N714-R718 VanDerWaalsContact O-CG 3.32Å; N714-R718 WeakPolarHBondContact O-CG 3.43Å; N714-R718 PolarHBondContact O-N 3.49Å
715	A	56	Low	55.2	Low	45 Å²	45	111.6 Å²	111.6	37%	0.372	57%	0.569	S	S	.	*	H	α-helix	trans	-64.9	-45.2	174.8	0	0	0	0	0	111.7	S711 F717 R718 I719	S711-A715 WeakPolarHBondContact O-CB 3.45Å; S711-A715 PolarHBondContact O-N 2.82Å; A715-F717 PolarHBondContact O-N 2.92Å; A715-R718 PolarHBondContact O-N 3.05Å; A715-I719 WeakPolarHBondContact O-CB 3.37Å; A715-I719 WeakPolarHBondContact O-CD1 3.25Å; A715-I719 VanDerWaalsContact O-CG1 3.22Å; A715-I719 WeakPolarHBondContact O-CG1 3.45Å; A715-I719 PolarHBondContact O-N 2.9Å
716	A	56.7	Low	56.2	Low	53 Å²	53	111.7 Å²	111.7	44%	0.438	56%	0.558	S	S	.	*	H	α-helix	trans	-61.3	-43.4	176.5	0	0	0	0	0	111.8	D712 I719 E720	D712-A716 VanDerWaalsContact O-CB 3.24Å; D712-A716 WeakPolarHBondContact O-CB 3.45Å; D712-A716 PolarHBondContact O-N 2.78Å; A716-I719 PolarHBondContact O-N 3.45Å; A716-E720 WeakPolarHBondContact O-CB 3.38Å; A716-E720 PolarHBondContact O-N 3.14Å
717	F	59.5	Low	56.9	Low	155 Å²	155	108.3 Å²	108.3	68%	0.68	54%	0.539	S	S	*	.	H	α-helix	trans	-63.9	-41.2	175.9	-175.5	-96.7	0	0	0	112.1	H713 N714 A715 E720 S721	H713-F717 WeakPolarHBondContact O-CB 3.25Å; H713-F717 PolarHBondContact O-N 2.76Å; N714-F717 PolarHBondContact O-N 2.82Å; A715-F717 PolarHBondContact O-N 2.92Å; F717-E720 PolarHBondContact O-N 3.02Å; F717-S721 WeakPolarHBondContact O-CB 3.39Å; F717-S721 PolarHBondContact O-N 3.07Å; F717-S721 PolarHBondContact O-OG 3.41Å
718	R	59.3	Low	57.9	Low	96 Å²	96	102.8 Å²	102.8	36%	0.362	53%	0.527	S	S	.	.	H	α-helix	trans	-62.4	-48.8	174.7	-74	-175	-142.1	-68.6	-3.6	111.5	E701 N714 A715 E720 S721 D722	E701-R718 IonicContact OE1-CZ 3.19Å; E701-R718 IonicContact OE1-NE 3.14Å; E701-R718 PolarHBondContact OE1-NE 2.96Å; E701-R718 VanDerWaalsContact OE1-NE 3.14Å; E701-R718 IonicContact OE1-NH2 2.71Å; E701-R718 PolarHBondContact OE1-NH2 2.85Å; N714-R718 WeakPolarHBondContact O-CB 3.24Å; N714-R718 VanDerWaalsContact O-CG 3.32Å; N714-R718 WeakPolarHBondContact O-CG 3.43Å; N714-R718 PolarHBondContact O-N 3.49Å; A715-R718 PolarHBondContact O-N 3.05Å; R718-E720 VanDerWaalsContact C-N 3.27Å; R718-E720 PolarHBondContact O-N 2.83Å; R718-S721 WeakPolarHBondContact CA-OG 3.36Å; R718-S721 PolarHBondContact O-N 3.33Å; R718-S721 VanDerWaalsContact O-N 3.16Å; R718-S721 PolarHBondContact O-OG 3.49Å; R718-D722 WeakPolarHBondContact O-CB 3.44Å; R718-D722 PolarHBondContact O-N 3.26Å
719	I	64.4	Low	58.8	Low	119 Å²	119	98 Å²	98	61%	0.61	50%	0.504	S	S	*	.	H	α-helix	trans	-57.2	-43.8	178	-68.5	163.4	0	0	0	110.5	A715 A716 D722 R723	A715-I719 WeakPolarHBondContact O-CB 3.37Å; A715-I719 WeakPolarHBondContact O-CD1 3.25Å; A715-I719 VanDerWaalsContact O-CG1 3.22Å; A715-I719 WeakPolarHBondContact O-CG1 3.45Å; A715-I719 PolarHBondContact O-N 2.9Å; A716-I719 PolarHBondContact O-N 3.45Å; I719-D722 PolarHBondContact O-N 2.82Å; I719-R723 VanDerWaalsContact O-CB 3.27Å; I719-R723 WeakPolarHBondContact O-CB 3.37Å; I719-R723 PolarHBondContact O-N 3.28Å
720	E	62.5	Low	59.9	Low	80 Å²	80	94.2 Å²	94.2	37%	0.374	49%	0.489	S	S	.	.	H	α-helix	trans	-70.3	-38.9	179.2	-166.9	58.4	-150.3	0	0	111.7	A716 F717 R718 D722 R723 L724	A716-E720 WeakPolarHBondContact O-CB 3.38Å; A716-E720 PolarHBondContact O-N 3.14Å; F717-E720 PolarHBondContact O-N 3.02Å; R718-E720 VanDerWaalsContact C-N 3.27Å; R718-E720 PolarHBondContact O-N 2.83Å; E720-D722 VanDerWaalsContact C-N 3.34Å; E720-D722 PolarHBondContact O-N 2.9Å; E720-R723 PolarHBondContact O-N 2.89Å; E720-R723 IonicContact OE2-NH1 2.62Å; E720-L724 HydrophobicContact CG-CD1 4.23Å; E720-L724 WeakPolarHBondContact O-CB 3.41Å; E720-L724 VanDerWaalsContact O-CG 3.27Å; E720-L724 WeakPolarHBondContact O-CG 3.37Å; E720-L724 PolarHBondContact O-N 3.22Å
721	S	62.6	Low	60.5	Low	50 Å²	50	91.3 Å²	91.3	35%	0.35	48%	0.482	S	S	.	.	H	α-helix	trans	-62.7	-40.6	175.3	71.9	0	0	0	0	112.4	F717 R718 L724 L725	F717-S721 WeakPolarHBondContact O-CB 3.39Å; F717-S721 PolarHBondContact O-N 3.07Å; F717-S721 PolarHBondContact O-OG 3.41Å; R718-S721 WeakPolarHBondContact CA-OG 3.36Å; R718-S721 PolarHBondContact O-N 3.33Å; R718-S721 VanDerWaalsContact O-N 3.16Å; R718-S721 PolarHBondContact O-OG 3.49Å; S721-L724 PolarHBondContact O-N 3.07Å; S721-L725 WeakPolarHBondContact O-CB 3.4Å; S721-L725 PolarHBondContact O-N 3.38Å
722	D	66	Low	61.4	Low	67 Å²	67	89.7 Å²	89.7	36%	0.358	47%	0.473	S	S	.	.	H	α-helix	trans	-72.7	-37.3	179.6	-145.8	39.4	0	0	0	110.8	Y690 R718 I719 E720 L725 R726	Y690-D722 PolarHBondContact OH-OD1 3.43Å; R718-D722 WeakPolarHBondContact O-CB 3.44Å; R718-D722 PolarHBondContact O-N 3.26Å; I719-D722 PolarHBondContact O-N 2.82Å; E720-D722 VanDerWaalsContact C-N 3.34Å; E720-D722 PolarHBondContact O-N 2.9Å; D722-L725 PolarHBondContact O-N 3.08Å; D722-R726 WeakPolarHBondContact O-CB 3.42Å; D722-R726 PolarHBondContact O-N 2.9Å
723	R	66.8	Low	62.5	Low	140 Å²	140	87.3 Å²	87.3	53%	0.528	46%	0.461	S	S	.	.	H	α-helix	trans	-61.2	-47.2	171.1	-175.7	-173	-177.4	-174.8	2.4	111.6	I719 E720 R726 L727	I719-R723 VanDerWaalsContact O-CB 3.27Å; I719-R723 WeakPolarHBondContact O-CB 3.37Å; I719-R723 PolarHBondContact O-N 3.28Å; E720-R723 PolarHBondContact O-N 2.89Å; E720-R723 IonicContact OE2-NH1 2.62Å; R723-R726 PolarHBondContact O-N 3.32Å; R723-L727 HydrophobicContact CG-CD1 4.18Å; R723-L727 WeakPolarHBondContact O-CB 3.21Å; R723-L727 VanDerWaalsContact O-CG 3.29Å; R723-L727 WeakPolarHBondContact O-CG 3.43Å; R723-L727 PolarHBondContact O-N 3.11Å
724	L	63.1	Low	63.4	Low	100 Å²	100	87.1 Å²	87.1	52%	0.524	46%	0.46	S	S	.	.	H	α-helix	trans	-64.5	-41.1	178.3	-75.1	170	0	0	0	111.4	E720 S721 L727 A728	E720-L724 HydrophobicContact CG-CD1 4.23Å; E720-L724 WeakPolarHBondContact O-CB 3.41Å; E720-L724 VanDerWaalsContact O-CG 3.27Å; E720-L724 WeakPolarHBondContact O-CG 3.37Å; E720-L724 PolarHBondContact O-N 3.22Å; S721-L724 PolarHBondContact O-N 3.07Å; L724-L727 PolarHBondContact O-N 3.17Å; L724-A728 VanDerWaalsContact O-CB 3.32Å; L724-A728 WeakPolarHBondContact O-CB 3.2Å; L724-A728 PolarHBondContact O-N 3.35Å
725	L	67	Low	64.5	Low	82 Å²	82	86.2 Å²	86.2	43%	0.429	46%	0.46	S	S	.	.	H	α-helix	trans	-64.1	-43.3	176.3	-160	85.1	0	0	0	111.4	Y690 S721 D722 A728 S729	Y690-L725 HydrophobicContact CD1-CD2 4.35Å; Y690-L725 HydrophobicContact CD2-CD2 4.12Å; Y690-L725 HydrophobicContact CE1-CD2 3.77Å; Y690-L725 HydrophobicContact CE2-CD2 3.5Å; Y690-L725 VanDerWaalsContact CE2-CD2 3.5Å; Y690-L725 WeakPolarHBondContact OH-CD2 3.32Å; S721-L725 WeakPolarHBondContact O-CB 3.4Å; S721-L725 PolarHBondContact O-N 3.38Å; D722-L725 PolarHBondContact O-N 3.08Å; L725-A728 PolarHBondContact O-N 2.72Å; L725-S729 WeakPolarHBondContact O-CB 3.45Å; L725-S729 PolarHBondContact O-N 3Å
726	R	66.1	Low	65.2	Low	159 Å²	159	88.7 Å²	88.7	60%	0.6	47%	0.466	S	S	*	.	H	α-helix	trans	-60.5	-49.1	175.5	-167.4	-179.4	73.6	143	6.6	110.9	D722 R723 A728 S729 E730	D722-R726 WeakPolarHBondContact O-CB 3.42Å; D722-R726 PolarHBondContact O-N 2.9Å; R723-R726 PolarHBondContact O-N 3.32Å; R726-A728 VanDerWaalsContact C-N 3.32Å; R726-A728 PolarHBondContact O-N 3.2Å; R726-S729 PolarHBondContact O-N 3.17Å; R726-S729 PolarHBondContact O-OG 2.97Å; R726-E730 WeakPolarHBondContact O-CB 3.42Å; R726-E730 PolarHBondContact O-N 3.45Å
727	L	61.8	Low	65.9	Low	81 Å²	81	88.8 Å²	88.8	42%	0.424	47%	0.467	S	S	.	.	H	α-helix	trans	-60.9	-40	177.3	-72.8	171.2	0	0	0	112.1	R723 L724 E730 A731	R723-L727 HydrophobicContact CG-CD1 4.18Å; R723-L727 WeakPolarHBondContact O-CB 3.21Å; R723-L727 VanDerWaalsContact O-CG 3.29Å; R723-L727 WeakPolarHBondContact O-CG 3.43Å; R723-L727 PolarHBondContact O-N 3.11Å; L724-L727 PolarHBondContact O-N 3.17Å; L727-E730 PolarHBondContact O-N 2.97Å; L727-A731 VanDerWaalsContact O-CB 3.23Å; L727-A731 WeakPolarHBondContact O-CB 3.31Å; L727-A731 PolarHBondContact O-N 3.44Å
728	A	63.1	Low	66.5	Low	60 Å²	60	85.1 Å²	85.1	50%	0.496	46%	0.457	S	S	.	.	H	α-helix	trans	-65	-41.3	175.5	0	0	0	0	0	111.8	L724 L725 R726 A732	L724-A728 VanDerWaalsContact O-CB 3.32Å; L724-A728 WeakPolarHBondContact O-CB 3.2Å; L724-A728 PolarHBondContact O-N 3.35Å; L725-A728 PolarHBondContact O-N 2.72Å; R726-A728 VanDerWaalsContact C-N 3.32Å; R726-A728 PolarHBondContact O-N 3.2Å; A728-A732 VanDerWaalsContact O-CB 3.3Å; A728-A732 WeakPolarHBondContact O-CB 3.45Å; A728-A732 PolarHBondContact O-N 3.37Å
729	S	64	Low	67.3	Low	40 Å²	40	86 Å²	86	28%	0.28	47%	0.466	S	S	.	.	H	α-helix	trans	-65.4	-40.7	176.3	75.6	0	0	0	0	112.1	L725 R726 A732 N733	L725-S729 WeakPolarHBondContact O-CB 3.45Å; L725-S729 PolarHBondContact O-N 3Å; R726-S729 PolarHBondContact O-N 3.17Å; R726-S729 PolarHBondContact O-OG 2.97Å; S729-A732 PolarHBondContact O-N 3.19Å; S729-N733 WeakPolarHBondContact O-CB 3.47Å; S729-N733 VanDerWaalsContact O-CG 3.23Å; S729-N733 PolarHBondContact O-N 3.49Å; S729-N733 PolarHBondContact O-ND2 3.04Å
730	E	70	Confident	68	Low	105 Å²	105	84 Å²	84	49%	0.491	46%	0.456	S	S	.	.	H	α-helix	trans	-68.6	-42.6	179.3	-147.8	165.4	-157.9	0	0	110.3	R726 L727 N733 H734	R726-E730 WeakPolarHBondContact O-CB 3.42Å; R726-E730 PolarHBondContact O-N 3.45Å; L727-E730 PolarHBondContact O-N 2.97Å; E730-N733 PolarHBondContact O-N 2.98Å; E730-H734 WeakPolarHBondContact O-CB 3.16Å; E730-H734 PolarHBondContact O-N 3.24Å
731	A	61.6	Low	68.5	Low	61 Å²	61	84.8 Å²	84.8	50%	0.504	46%	0.463	S	S	.	.	H	α-helix	trans	-64.1	-40.6	173.9	0	0	0	0	0	112.5	L727 H734 S735	L727-A731 VanDerWaalsContact O-CB 3.23Å; L727-A731 WeakPolarHBondContact O-CB 3.31Å; L727-A731 PolarHBondContact O-N 3.44Å; A731-H734 PolarHBondContact O-N 3.45Å; A731-S735 WeakPolarHBondContact O-CB 3.49Å; A731-S735 PolarHBondContact O-N 2.92Å
732	A	70	Confident	69.3	Low	46 Å²	46	86.8 Å²	86.8	38%	0.38	47%	0.466	S	S	.	.	H	α-helix	trans	-63.8	-45.7	175.5	0	0	0	0	0	111.2	A728 S729 H734 S735 I736	A728-A732 VanDerWaalsContact O-CB 3.3Å; A728-A732 WeakPolarHBondContact O-CB 3.45Å; A728-A732 PolarHBondContact O-N 3.37Å; S729-A732 PolarHBondContact O-N 3.19Å; A732-H734 PolarHBondContact O-N 3.29Å; A732-S735 PolarHBondContact O-N 3.38Å; A732-I736 WeakPolarHBondContact O-CB 3.44Å; A732-I736 VanDerWaalsContact O-CG1 3.24Å; A732-I736 WeakPolarHBondContact O-CG1 3.44Å; A732-I736 PolarHBondContact O-N 3Å
733	N	73.7	Confident	69.6	Low	72 Å²	72	87.9 Å²	87.9	39%	0.385	47%	0.471	S	S	.	.	H	α-helix	trans	-62.1	-43	176.5	-72.9	-16.4	0	0	0	111.7	S729 E730 S735 I736 A737	S729-N733 WeakPolarHBondContact O-CB 3.47Å; S729-N733 VanDerWaalsContact O-CG 3.23Å; S729-N733 PolarHBondContact O-N 3.49Å; S729-N733 PolarHBondContact O-ND2 3.04Å; E730-N733 PolarHBondContact O-N 2.98Å; N733-S735 VanDerWaalsContact C-N 3.34Å; N733-S735 PolarHBondContact O-N 3.5Å; N733-I736 PolarHBondContact O-N 3.04Å; N733-A737 VanDerWaalsContact O-CB 3.28Å; N733-A737 WeakPolarHBondContact O-CB 3.43Å; N733-A737 PolarHBondContact O-N 3.15Å
734	H	67	Low	69.8	Low	134 Å²	134	89.1 Å²	89.1	62%	0.62	48%	0.476	S	S	*	.	H	α-helix	trans	-62.6	-41.9	175.6	-123.5	-67.4	0	0	0	111.6	E730 A731 A732 A737 T738	E730-H734 WeakPolarHBondContact O-CB 3.16Å; E730-H734 PolarHBondContact O-N 3.24Å; A731-H734 PolarHBondContact O-N 3.45Å; A732-H734 PolarHBondContact O-N 3.29Å; H734-A737 PolarHBondContact O-N 2.92Å; H734-T738 VanDerWaalsContact O-CG2 3.29Å; H734-T738 WeakPolarHBondContact O-CG2 3.31Å; H734-T738 PolarHBondContact O-N 3.46Å; H734-T738 PolarHBondContact O-OG1 3.32Å
735	S	74.3	Confident	70.3	Confident	66 Å²	66	87.7 Å²	87.7	46%	0.462	47%	0.472	S	S	.	.	H	α-helix	trans	-66.6	-38.5	177.3	-175.5	0	0	0	0	112.6	A731 A732 N733 T738 Q739	A731-S735 WeakPolarHBondContact O-CB 3.49Å; A731-S735 PolarHBondContact O-N 2.92Å; A732-S735 PolarHBondContact O-N 3.38Å; N733-S735 VanDerWaalsContact C-N 3.34Å; N733-S735 PolarHBondContact O-N 3.5Å; S735-T738 WeakPolarHBondContact CA-OG1 2.92Å; S735-T738 PolarHBondContact O-OG1 3.1Å; S735-Q739 WeakPolarHBondContact O-CB 3.36Å; S735-Q739 WeakPolarHBondContact O-CG 3.39Å; S735-Q739 PolarHBondContact O-N 3Å; S735-Q739 VanDerWaalsContact O-N 3.1Å
736	I	70.5	Confident	70.7	Confident	97 Å²	97	88.4 Å²	88.4	50%	0.497	47%	0.472	S	S	.	.	H	α-helix	trans	-68.6	-43.4	177.1	-69.1	164.2	0	0	0	109.6	A732 N733 T738 Q739 L740	A732-I736 WeakPolarHBondContact O-CB 3.44Å; A732-I736 VanDerWaalsContact O-CG1 3.24Å; A732-I736 WeakPolarHBondContact O-CG1 3.44Å; A732-I736 PolarHBondContact O-N 3Å; N733-I736 PolarHBondContact O-N 3.04Å; I736-T738 PolarHBondContact O-N 3.46Å; I736-Q739 PolarHBondContact O-N 3.27Å; I736-L740 VanDerWaalsContact O-CB 3.28Å; I736-L740 WeakPolarHBondContact O-CB 3.33Å; I736-L740 PolarHBondContact O-N 2.99Å
737	A	71	Confident	71.1	Confident	54 Å²	54	84.5 Å²	84.5	45%	0.446	46%	0.462	S	S	.	.	H	α-helix	trans	-62.1	-42.9	178.1	0	0	0	0	0	112	N733 H734 L740 D741	N733-A737 VanDerWaalsContact O-CB 3.28Å; N733-A737 WeakPolarHBondContact O-CB 3.43Å; N733-A737 PolarHBondContact O-N 3.15Å; H734-A737 PolarHBondContact O-N 2.92Å; A737-L740 PolarHBondContact O-N 3.32Å; A737-D741 WeakPolarHBondContact O-CB 3.19Å; A737-D741 PolarHBondContact O-N 3.45Å
738	T	72.3	Confident	71.6	Confident	79 Å²	79	84.6 Å²	84.6	49%	0.485	46%	0.462	S	S	.	.	H	α-helix	trans	-67.4	-42.3	177.6	54.7	0	0	0	0	112.1	H734 S735 I736 L740 D741 E742	H734-T738 VanDerWaalsContact O-CG2 3.29Å; H734-T738 WeakPolarHBondContact O-CG2 3.31Å; H734-T738 PolarHBondContact O-N 3.46Å; H734-T738 PolarHBondContact O-OG1 3.32Å; S735-T738 WeakPolarHBondContact CA-OG1 2.92Å; S735-T738 PolarHBondContact O-OG1 3.1Å; I736-T738 PolarHBondContact O-N 3.46Å; T738-L740 VanDerWaalsContact C-N 3.32Å; T738-L740 PolarHBondContact O-N 2.86Å; T738-D741 PolarHBondContact O-N 3.38Å; T738-E742 WeakPolarHBondContact O-CB 3.37Å; T738-E742 PolarHBondContact O-N 3.49Å
739	Q	75.4	Confident	72.2	Confident	115 Å²	115	88.3 Å²	88.3	54%	0.537	47%	0.469	S	S	.	.	H	α-helix	trans	-61.6	-40.9	174.8	-70.3	-101.9	-59.4	0	0	111.7	S735 I736 E742 L743	S735-Q739 WeakPolarHBondContact O-CB 3.36Å; S735-Q739 WeakPolarHBondContact O-CG 3.39Å; S735-Q739 PolarHBondContact O-N 3Å; S735-Q739 VanDerWaalsContact O-N 3.1Å; I736-Q739 PolarHBondContact O-N 3.27Å; Q739-E742 PolarHBondContact O-N 3.47Å; Q739-L743 WeakPolarHBondContact O-CG 3.44Å; Q739-L743 PolarHBondContact O-N 3.3Å
740	L	78.6	Confident	72.8	Confident	76 Å²	76	91.7 Å²	91.7	40%	0.398	48%	0.484	S	S	.	.	H	α-helix	trans	-66.4	-41.9	178.5	-177.5	61.6	0	0	0	111.8	F676 I736 A737 T738 L743 R744	F676-L740 HydrophobicContact CE1-CD1 4.22Å; F676-L740 HydrophobicContact CE1-CD2 4.47Å; F676-L740 HydrophobicContact CE2-CD1 3.8Å; F676-L740 HydrophobicContact CZ-CD1 3.55Å; I736-L740 VanDerWaalsContact O-CB 3.28Å; I736-L740 WeakPolarHBondContact O-CB 3.33Å; I736-L740 PolarHBondContact O-N 2.99Å; A737-L740 PolarHBondContact O-N 3.32Å; T738-L740 VanDerWaalsContact C-N 3.32Å; T738-L740 PolarHBondContact O-N 2.86Å; L740-L743 PolarHBondContact O-N 2.95Å; L740-R744 WeakPolarHBondContact O-CB 3.46Å; L740-R744 PolarHBondContact O-N 3.15Å
741	D	74.7	Confident	72.9	Confident	97 Å²	97	89.6 Å²	89.6	52%	0.519	48%	0.476	S	S	.	.	H	α-helix	trans	-69	-37.3	178.1	-157.4	34.2	0	0	0	111.5	A737 T738 L743 R744 T745	A737-D741 WeakPolarHBondContact O-CB 3.19Å; A737-D741 PolarHBondContact O-N 3.45Å; T738-D741 PolarHBondContact O-N 3.38Å; D741-L743 PolarHBondContact O-N 3.5Å; D741-R744 PolarHBondContact O-N 3.03Å; D741-T745 WeakPolarHBondContact O-CB 3.32Å; D741-T745 VanDerWaalsContact O-CG2 3.29Å; D741-T745 WeakPolarHBondContact O-CG2 3.23Å; D741-T745 PolarHBondContact O-N 3.48Å; D741-T745 PolarHBondContact O-OG1 3.42Å
742	E	79.4	Confident	73.5	Confident	92 Å²	92	92.1 Å²	92.1	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-63.6	-40.5	172.6	-166.1	-174.7	164.6	0	0	112.1	T738 Q739 T745 K746	T738-E742 WeakPolarHBondContact O-CB 3.37Å; T738-E742 PolarHBondContact O-N 3.49Å; Q739-E742 PolarHBondContact O-N 3.47Å; E742-T745 WeakPolarHBondContact CA-OG1 3.3Å; E742-T745 PolarHBondContact O-OG1 3.25Å; E742-K746 WeakPolarHBondContact O-CB 3.44Å; E742-K746 VanDerWaalsContact O-CG 3.3Å; E742-K746 WeakPolarHBondContact O-CG 3.45Å; E742-K746 PolarHBondContact O-N 3.02Å; E742-K746 VanDerWaalsContact O-N 3.1Å; E742-K746 WeakPolarHBondContact OE1-CE 3.48Å; E742-K746 IonicContact OE1-NZ 2.73Å; E742-K746 PolarHBondContact OE1-NZ 3.02Å
743	L	70.8	Confident	73.8	Confident	89 Å²	89	96 Å²	96	47%	0.466	49%	0.488	S	S	.	.	H	α-helix	trans	-67.8	-42.5	174.5	-76	172	0	0	0	111.9	Q739 L740 D741 T745 K746 I747	Q739-L743 WeakPolarHBondContact O-CG 3.44Å; Q739-L743 PolarHBondContact O-N 3.3Å; L740-L743 PolarHBondContact O-N 2.95Å; D741-L743 PolarHBondContact O-N 3.5Å; L743-T745 VanDerWaalsContact C-N 3.35Å; L743-T745 PolarHBondContact O-N 3.19Å; L743-K746 PolarHBondContact O-N 3.27Å; L743-I747 WeakPolarHBondContact O-CB 3.41Å; L743-I747 VanDerWaalsContact O-CG1 3.28Å; L743-I747 WeakPolarHBondContact O-CG1 3.42Å; L743-I747 PolarHBondContact O-N 3.11Å
744	R	71.6	Confident	74	Confident	166 Å²	166	94.5 Å²	94.5	63%	0.626	48%	0.483	S	S	*	.	H	α-helix	trans	-60.7	-45.3	178.1	-178.5	-178.5	179.3	168.2	-0	111.4	L740 D741 I747 L748	L740-R744 WeakPolarHBondContact O-CB 3.46Å; L740-R744 PolarHBondContact O-N 3.15Å; D741-R744 PolarHBondContact O-N 3.03Å; R744-I747 PolarHBondContact O-N 3.08Å; R744-L748 HydrophobicContact CG-CD1 4.03Å; R744-L748 WeakPolarHBondContact O-CB 3.42Å; R744-L748 VanDerWaalsContact O-CG 3.31Å; R744-L748 WeakPolarHBondContact O-CG 3.4Å; R744-L748 PolarHBondContact O-N 3.4Å
745	T	73.3	Confident	74.5	Confident	70 Å²	70	92.1 Å²	92.1	43%	0.429	48%	0.475	S	S	.	.	H	α-helix	trans	-65.5	-43.3	179.1	49.3	0	0	0	0	111.5	D741 E742 L743 L748 Q749	D741-T745 WeakPolarHBondContact O-CB 3.32Å; D741-T745 VanDerWaalsContact O-CG2 3.29Å; D741-T745 WeakPolarHBondContact O-CG2 3.23Å; D741-T745 PolarHBondContact O-N 3.48Å; D741-T745 PolarHBondContact O-OG1 3.42Å; E742-T745 WeakPolarHBondContact CA-OG1 3.3Å; E742-T745 PolarHBondContact O-OG1 3.25Å; L743-T745 VanDerWaalsContact C-N 3.35Å; L743-T745 PolarHBondContact O-N 3.19Å; T745-L748 PolarHBondContact O-N 2.9Å; T745-Q749 VanDerWaalsContact O-CB 3.3Å; T745-Q749 WeakPolarHBondContact O-CB 2.96Å; T745-Q749 PolarHBondContact O-N 3.42Å
746	K	75.6	Confident	74.7	Confident	98 Å²	98	94 Å²	94	43%	0.426	48%	0.48	S	S	.	.	H	α-helix	trans	-60.4	-48.7	174.1	-74.6	173.4	-173.6	167.4	0	112.6	E742 L743 L748 Q749 D750	E742-K746 WeakPolarHBondContact O-CB 3.44Å; E742-K746 VanDerWaalsContact O-CG 3.3Å; E742-K746 WeakPolarHBondContact O-CG 3.45Å; E742-K746 PolarHBondContact O-N 3.02Å; E742-K746 VanDerWaalsContact O-N 3.1Å; E742-K746 WeakPolarHBondContact OE1-CE 3.48Å; E742-K746 IonicContact OE1-NZ 2.73Å; E742-K746 PolarHBondContact OE1-NZ 3.02Å; L743-K746 PolarHBondContact O-N 3.27Å; K746-L748 PolarHBondContact O-N 3.08Å; K746-Q749 PolarHBondContact O-N 3.48Å; K746-D750 PolarHBondContact O-N 3.32Å
747	I	73.6	Confident	75	Confident	76 Å²	76	94.8 Å²	94.8	39%	0.39	48%	0.481	S	S	.	.	H	α-helix	trans	-61	-45.5	178.6	-70	168.9	0	0	0	110.5	L743 R744 Q749 D750 L751	L743-I747 WeakPolarHBondContact O-CB 3.41Å; L743-I747 VanDerWaalsContact O-CG1 3.28Å; L743-I747 WeakPolarHBondContact O-CG1 3.42Å; L743-I747 PolarHBondContact O-N 3.11Å; R744-I747 PolarHBondContact O-N 3.08Å; I747-Q749 VanDerWaalsContact C-N 3.34Å; I747-Q749 PolarHBondContact O-N 2.7Å; I747-D750 PolarHBondContact O-N 3.09Å; I747-L751 HydrophobicContact CG2-CD1 3.69Å; I747-L751 HydrophobicContact CG2-CG 4.33Å; I747-L751 WeakPolarHBondContact O-CB 3.44Å; I747-L751 WeakPolarHBondContact O-CD1 3.39Å; I747-L751 WeakPolarHBondContact O-CG 3.46Å; I747-L751 PolarHBondContact O-N 2.97Å
748	L	72.6	Confident	75.1	Confident	83 Å²	83	96.3 Å²	96.3	44%	0.435	48%	0.478	S	S	.	.	H	α-helix	trans	-62.2	-41.7	177.4	-78	172.2	0	0	0	111.9	R744 T745 K746 L751 I752	R744-L748 HydrophobicContact CG-CD1 4.03Å; R744-L748 WeakPolarHBondContact O-CB 3.42Å; R744-L748 VanDerWaalsContact O-CG 3.31Å; R744-L748 WeakPolarHBondContact O-CG 3.4Å; R744-L748 PolarHBondContact O-N 3.4Å; T745-L748 PolarHBondContact O-N 2.9Å; K746-L748 PolarHBondContact O-N 3.08Å; L748-L751 PolarHBondContact O-N 3.5Å; L748-I752 WeakPolarHBondContact O-CB 3.21Å; L748-I752 WeakPolarHBondContact O-CD1 3.12Å; L748-I752 WeakPolarHBondContact O-CG1 3.46Å; L748-I752 PolarHBondContact O-N 3.4Å
749	Q	76.3	Confident	75.5	Confident	138 Å²	138	96 Å²	96	65%	0.645	47%	0.473	S	S	*	.	H	α-helix	trans	-66.7	-43	-179.3	-168.4	169.5	4.5	0	0	112	T745 K746 I747 L751 I752 K753	T745-Q749 VanDerWaalsContact O-CB 3.3Å; T745-Q749 WeakPolarHBondContact O-CB 2.96Å; T745-Q749 PolarHBondContact O-N 3.42Å; K746-Q749 PolarHBondContact O-N 3.48Å; I747-Q749 VanDerWaalsContact C-N 3.34Å; I747-Q749 PolarHBondContact O-N 2.7Å; Q749-L751 VanDerWaalsContact C-N 3.35Å; Q749-I752 PolarHBondContact O-N 2.96Å; Q749-K753 VanDerWaalsContact O-CB 3.31Å; Q749-K753 WeakPolarHBondContact O-CB 3.23Å; Q749-K753 PolarHBondContact O-N 3.45Å
750	D	76.8	Confident	75.5	Confident	112 Å²	112	94 Å²	94	60%	0.599	47%	0.465	S	S	*	.	H	α-helix	trans	-66.1	-37.3	176.1	-75.1	-20.4	0	0	0	112	K746 I747 S754	K746-D750 PolarHBondContact O-N 3.32Å; I747-D750 PolarHBondContact O-N 3.09Å; D750-S754 WeakPolarHBondContact O-CB 3.38Å; D750-S754 PolarHBondContact O-N 2.99Å
751	L	71.3	Confident	75.6	Confident	60 Å²	60	93.4 Å²	93.4	31%	0.314	47%	0.467	S	S	.	.	H	α-helix	trans	-66.4	-47.2	175.3	-73.1	171	0	0	0	112.2	L665 I747 L748 Q749 K753 S754 D755	L665-L751 HydrophobicContact CD1-CD2 4.14Å; L665-L751 HydrophobicContact CD2-CD1 3.77Å; L665-L751 HydrophobicContact CD2-CD2 3.2Å; L665-L751 HydrophobicContact CD2-CG 4.12Å; L665-L751 HydrophobicContact CG-CD2 4.28Å; I747-L751 HydrophobicContact CG2-CD1 3.69Å; I747-L751 HydrophobicContact CG2-CG 4.33Å; I747-L751 WeakPolarHBondContact O-CB 3.44Å; I747-L751 WeakPolarHBondContact O-CD1 3.39Å; I747-L751 WeakPolarHBondContact O-CG 3.46Å; I747-L751 PolarHBondContact O-N 2.97Å; L748-L751 PolarHBondContact O-N 3.5Å; Q749-L751 VanDerWaalsContact C-N 3.35Å; L751-K753 VanDerWaalsContact C-N 3.31Å; L751-K753 PolarHBondContact O-N 2.95Å; L751-S754 PolarHBondContact O-N 3.15Å; L751-D755 VanDerWaalsContact O-CB 3.26Å; L751-D755 WeakPolarHBondContact O-CB 3.2Å; L751-D755 PolarHBondContact O-N 3.39Å
752	I	74.3	Confident	75.5	Confident	115 Å²	115	92 Å²	92	59%	0.59	46%	0.459	S	S	*	.	H	α-helix	trans	-61.4	-43.5	177.4	-69.4	164.1	0	0	0	110	L748 Q749 D755 L756	L748-I752 WeakPolarHBondContact O-CB 3.21Å; L748-I752 WeakPolarHBondContact O-CD1 3.12Å; L748-I752 WeakPolarHBondContact O-CG1 3.46Å; L748-I752 PolarHBondContact O-N 3.4Å; Q749-I752 PolarHBondContact O-N 2.96Å; I752-D755 PolarHBondContact O-N 2.87Å; I752-L756 VanDerWaalsContact O-CB 3.29Å; I752-L756 WeakPolarHBondContact O-CB 3.48Å; I752-L756 PolarHBondContact O-N 2.88Å
753	K	78	Confident	75.5	Confident	127 Å²	127	93.1 Å²	93.1	55%	0.552	46%	0.464	S	S	*	.	H	α-helix	trans	-62.5	-48.5	177.9	-175.7	-178.5	175.9	-174.8	0	111.8	Q749 L751 D755 L756 E757	Q749-K753 VanDerWaalsContact O-CB 3.31Å; Q749-K753 WeakPolarHBondContact O-CB 3.23Å; Q749-K753 PolarHBondContact O-N 3.45Å; L751-K753 VanDerWaalsContact C-N 3.31Å; L751-K753 PolarHBondContact O-N 2.95Å; K753-D755 VanDerWaalsContact C-N 3.34Å; K753-D755 PolarHBondContact O-N 3.33Å; K753-L756 PolarHBondContact O-N 3.42Å; K753-E757 WeakPolarHBondContact CE-OE1 3.45Å; K753-E757 WeakPolarHBondContact O-CG 3.45Å; K753-E757 PolarHBondContact O-N 3.3Å
754	S	77.8	Confident	76	Confident	41 Å²	41	93.5 Å²	93.5	29%	0.287	47%	0.467	S	S	.	.	H	α-helix	trans	-65.3	-37.8	179.5	-173.6	0	0	0	0	112.5	D750 L751 K758	D750-S754 WeakPolarHBondContact O-CB 3.38Å; D750-S754 PolarHBondContact O-N 2.99Å; L751-S754 PolarHBondContact O-N 3.15Å; S754-K758 WeakPolarHBondContact O-CB 3.45Å; S754-K758 WeakPolarHBondContact O-CD 3.41Å; S754-K758 VanDerWaalsContact O-CG 3.28Å; S754-K758 WeakPolarHBondContact O-CG 3.42Å; S754-K758 PolarHBondContact O-N 2.83Å; S754-K758 WeakPolarHBondContact OG-CE 3.49Å; S754-K758 PolarHBondContact OG-NZ 2.88Å
755	D	76.1	Confident	76.1	Confident	84 Å²	84	88.5 Å²	88.5	45%	0.449	45%	0.451	S	S	.	.	H	α-helix	trans	-66.8	-43.4	176.8	-171.2	62.2	0	0	0	111.4	L751 I752 K753 K758 N759	L751-D755 VanDerWaalsContact O-CB 3.26Å; L751-D755 WeakPolarHBondContact O-CB 3.2Å; L751-D755 PolarHBondContact O-N 3.39Å; I752-D755 PolarHBondContact O-N 2.87Å; K753-D755 VanDerWaalsContact C-N 3.34Å; K753-D755 PolarHBondContact O-N 3.33Å; D755-K758 PolarHBondContact O-N 2.78Å; D755-N759 WeakPolarHBondContact O-CB 3.35Å; D755-N759 VanDerWaalsContact O-CG 3.27Å; D755-N759 PolarHBondContact O-N 2.92Å; D755-N759 PolarHBondContact O-ND2 3.44Å; D755-N759 PolarHBondContact OD2-ND2 3.18Å
756	L	78	Confident	76.5	Confident	105 Å²	105	87.3 Å²	87.3	55%	0.55	45%	0.446	S	S	.	.	H	α-helix	trans	-60.6	-50.2	176.9	-166.5	102.7	0	0	0	112	I752 K753 K758 N759 I760	I752-L756 VanDerWaalsContact O-CB 3.29Å; I752-L756 WeakPolarHBondContact O-CB 3.48Å; I752-L756 PolarHBondContact O-N 2.88Å; K753-L756 PolarHBondContact O-N 3.42Å; L756-K758 VanDerWaalsContact C-N 3.28Å; L756-K758 PolarHBondContact O-N 2.87Å; L756-N759 PolarHBondContact O-N 2.82Å; L756-I760 HydrophobicContact CD2-CD1 3.91Å; L756-I760 HydrophobicContact CG-CD1 4Å; L756-I760 WeakPolarHBondContact O-CB 3.49Å; L756-I760 WeakPolarHBondContact O-CD1 3.35Å; L756-I760 VanDerWaalsContact O-CG1 3.24Å; L756-I760 WeakPolarHBondContact O-CG1 3.19Å; L756-I760 PolarHBondContact O-N 2.93Å
757	E	78.2	Confident	76.7	Confident	113 Å²	113	87.9 Å²	87.9	53%	0.528	45%	0.452	S	S	.	.	H	α-helix	trans	-59.4	-38.9	178.9	-73.5	175.1	-174.3	0	0	112	K753 S761	K753-E757 WeakPolarHBondContact CE-OE1 3.45Å; K753-E757 WeakPolarHBondContact O-CG 3.45Å; K753-E757 PolarHBondContact O-N 3.3Å; E757-S761 PolarHBondContact O-N 2.91Å
758	K	73.7	Confident	77	Confident	87 Å²	87	88.7 Å²	88.7	38%	0.378	46%	0.457	S	S	.	.	H	α-helix	trans	-72.1	-42.5	177.5	-74.3	169.7	-176.2	152.2	0	112.5	S754 D755 L756 I760 S761 I762	S754-K758 WeakPolarHBondContact O-CB 3.45Å; S754-K758 WeakPolarHBondContact O-CD 3.41Å; S754-K758 VanDerWaalsContact O-CG 3.28Å; S754-K758 WeakPolarHBondContact O-CG 3.42Å; S754-K758 PolarHBondContact O-N 2.83Å; S754-K758 WeakPolarHBondContact OG-CE 3.49Å; S754-K758 PolarHBondContact OG-NZ 2.88Å; D755-K758 PolarHBondContact O-N 2.78Å; L756-K758 VanDerWaalsContact C-N 3.28Å; L756-K758 PolarHBondContact O-N 2.87Å; K758-I760 VanDerWaalsContact C-N 3.29Å; K758-I760 PolarHBondContact O-N 2.79Å; K758-S761 WeakPolarHBondContact O-CB 3.43Å; K758-S761 PolarHBondContact O-N 3.44Å; K758-S761 VanDerWaalsContact O-N 3.11Å; K758-I762 WeakPolarHBondContact O-CG1 3.36Å; K758-I762 PolarHBondContact O-N 3.45Å
759	N	79.2	Confident	77.4	Confident	71 Å²	71	86 Å²	86	38%	0.38	44%	0.443	S	S	.	.	H	α-helix	trans	-61.8	-40.1	176.2	-75.9	-31.8	0	0	0	111.2	D755 L756 I762 Q763	D755-N759 WeakPolarHBondContact O-CB 3.35Å; D755-N759 VanDerWaalsContact O-CG 3.27Å; D755-N759 PolarHBondContact O-N 2.92Å; D755-N759 PolarHBondContact O-ND2 3.44Å; D755-N759 PolarHBondContact OD2-ND2 3.18Å; L756-N759 PolarHBondContact O-N 2.82Å; N759-I762 PolarHBondContact O-N 2.95Å; N759-Q763 WeakPolarHBondContact O-CB 3.48Å; N759-Q763 VanDerWaalsContact O-CG 3.28Å; N759-Q763 WeakPolarHBondContact O-CG 3.41Å; N759-Q763 PolarHBondContact O-N 3.43Å
760	I	76.2	Confident	77.6	Confident	74 Å²	74	83.7 Å²	83.7	38%	0.379	44%	0.435	S	S	.	.	H	α-helix	trans	-62	-43.7	172.3	-68.4	164.9	0	0	0	110.8	L756 K758 I762 Q763 N764	L756-I760 HydrophobicContact CD2-CD1 3.91Å; L756-I760 HydrophobicContact CG-CD1 4Å; L756-I760 WeakPolarHBondContact O-CB 3.49Å; L756-I760 WeakPolarHBondContact O-CD1 3.35Å; L756-I760 VanDerWaalsContact O-CG1 3.24Å; L756-I760 WeakPolarHBondContact O-CG1 3.19Å; L756-I760 PolarHBondContact O-N 2.93Å; K758-I760 VanDerWaalsContact C-N 3.29Å; K758-I760 PolarHBondContact O-N 2.79Å; I760-I762 PolarHBondContact O-N 3.09Å; I760-Q763 PolarHBondContact O-N 3.28Å; I760-N764 WeakPolarHBondContact O-CB 3.39Å; I760-N764 VanDerWaalsContact O-CG 3.25Å; I760-N764 PolarHBondContact O-N 2.84Å; I760-N764 PolarHBondContact O-ND2 2.91Å
761	S	80.3	Confident	78.1	Confident	63 Å²	63	81 Å²	81	44%	0.441	43%	0.425	S	S	.	.	H	α-helix	trans	-60.7	-44	176.8	-171.8	0	0	0	0	112.5	E757 K758 N764 M765	E757-S761 PolarHBondContact O-N 2.91Å; K758-S761 WeakPolarHBondContact O-CB 3.43Å; K758-S761 PolarHBondContact O-N 3.44Å; K758-S761 VanDerWaalsContact O-N 3.11Å; S761-N764 PolarHBondContact O-N 3.11Å; S761-M765 PolarHBondContact O-N 2.85Å
762	I	73	Confident	78.4	Confident	67 Å²	67	80.2 Å²	80.2	34%	0.344	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-43.8	175.9	-67.1	168	0	0	0	110.6	K758 N759 I760 M765 S766	K758-I762 WeakPolarHBondContact O-CG1 3.36Å; K758-I762 PolarHBondContact O-N 3.45Å; N759-I762 PolarHBondContact O-N 2.95Å; I760-I762 PolarHBondContact O-N 3.09Å; I762-M765 PolarHBondContact O-N 2.79Å; I762-S766 WeakPolarHBondContact O-CB 3.34Å; I762-S766 PolarHBondContact O-N 3.44Å
763	Q	78.5	Confident	78.7	Confident	117 Å²	117	80.8 Å²	80.8	55%	0.547	42%	0.416	S	S	.	.	H	α-helix	trans	-61.5	-47.2	176.9	-76.6	177.4	-10.8	0	0	111.6	N759 I760 M765 S766 I767	N759-Q763 WeakPolarHBondContact O-CB 3.48Å; N759-Q763 VanDerWaalsContact O-CG 3.28Å; N759-Q763 WeakPolarHBondContact O-CG 3.41Å; N759-Q763 PolarHBondContact O-N 3.43Å; I760-Q763 PolarHBondContact O-N 3.28Å; Q763-M765 VanDerWaalsContact C-N 3.34Å; Q763-M765 PolarHBondContact O-N 2.85Å; Q763-S766 WeakPolarHBondContact O-CB 3.47Å; Q763-S766 PolarHBondContact O-N 2.97Å; Q763-S766 VanDerWaalsContact O-N 3.08Å; Q763-S766 PolarHBondContact O-OG 2.89Å; Q763-I767 WeakPolarHBondContact O-CG1 3.5Å; Q763-I767 PolarHBondContact O-N 3.28Å
764	N	82.6	Confident	78.8	Confident	96 Å²	96	77.8 Å²	77.8	51%	0.513	41%	0.411	S	S	.	.	H	α-helix	trans	-59.2	-44.3	177.5	-72.5	-16.2	0	0	0	111.9	I760 S761 S766 I767 L768	I760-N764 WeakPolarHBondContact O-CB 3.39Å; I760-N764 VanDerWaalsContact O-CG 3.25Å; I760-N764 PolarHBondContact O-N 2.84Å; I760-N764 PolarHBondContact O-ND2 2.91Å; S761-N764 PolarHBondContact O-N 3.11Å; N764-S766 VanDerWaalsContact C-N 3.33Å; N764-S766 PolarHBondContact O-N 3.08Å; N764-I767 PolarHBondContact O-N 2.86Å; N764-L768 WeakPolarHBondContact O-CB 3.49Å; N764-L768 PolarHBondContact O-N 3.46Å
765	M	73	Confident	79	Confident	61 Å²	61	81 Å²	81	30%	0.3	42%	0.422	S	S	.	.	H	α-helix	trans	-63.5	-38.1	174.7	-76.7	-61.1	-58.7	0	0	112.3	L651 S761 I762 Q763 L768 L769	L651-M765 HydrophobicContact CD1-CB 4.39Å; S761-M765 PolarHBondContact O-N 2.85Å; I762-M765 PolarHBondContact O-N 2.79Å; Q763-M765 VanDerWaalsContact C-N 3.34Å; Q763-M765 PolarHBondContact O-N 2.85Å; M765-L768 PolarHBondContact O-N 3.44Å; M765-L769 WeakPolarHBondContact O-CB 3.4Å; M765-L769 PolarHBondContact O-N 3.07Å
766	S	80.8	Confident	79.1	Confident	46 Å²	46	78.6 Å²	78.6	32%	0.322	41%	0.408	S	S	.	.	H	α-helix	trans	-66	-37.5	176.4	80.5	0	0	0	0	112.6	I762 Q763 N764 L769 N770	I762-S766 WeakPolarHBondContact O-CB 3.34Å; I762-S766 PolarHBondContact O-N 3.44Å; Q763-S766 WeakPolarHBondContact O-CB 3.47Å; Q763-S766 PolarHBondContact O-N 2.97Å; Q763-S766 VanDerWaalsContact O-N 3.08Å; Q763-S766 PolarHBondContact O-OG 2.89Å; N764-S766 VanDerWaalsContact C-N 3.33Å; N764-S766 PolarHBondContact O-N 3.08Å; S766-L769 PolarHBondContact O-N 3.39Å; S766-N770 WeakPolarHBondContact O-CB 2.97Å; S766-N770 PolarHBondContact O-N 3.19Å; S766-N770 PolarHBondContact O-ND2 3.39Å
767	I	80.1	Confident	79.2	Confident	109 Å²	109	76 Å²	76	56%	0.559	40%	0.399	S	S	*	.	H	α-helix	trans	-66	-45.3	175.3	-67.5	165	0	0	0	109.9	Q763 N764 L769 N770 S771	Q763-I767 WeakPolarHBondContact O-CG1 3.5Å; Q763-I767 PolarHBondContact O-N 3.28Å; N764-I767 PolarHBondContact O-N 2.86Å; I767-L769 VanDerWaalsContact C-N 3.34Å; I767-L769 PolarHBondContact O-N 2.97Å; I767-N770 PolarHBondContact O-N 2.9Å; I767-S771 WeakPolarHBondContact O-CB 3.48Å; I767-S771 PolarHBondContact O-N 3.47Å
768	L	80.2	Confident	79.4	Confident	93 Å²	93	75.5 Å²	75.5	49%	0.487	40%	0.399	S	S	.	.	H	α-helix	trans	-61	-44	177.6	-152.3	168.7	0	0	0	110.8	N764 M765 N770 S771 L772	N764-L768 WeakPolarHBondContact O-CB 3.49Å; N764-L768 PolarHBondContact O-N 3.46Å; M765-L768 PolarHBondContact O-N 3.44Å; L768-N770 PolarHBondContact O-N 3.06Å; L768-S771 WeakPolarHBondContact O-CB 3.4Å; L768-S771 PolarHBondContact O-N 2.98Å; L768-L772 HydrophobicContact CD2-CD1 3.56Å; L768-L772 HydrophobicContact CD2-CG 3.89Å; L768-L772 WeakPolarHBondContact O-CG 3.19Å; L768-L772 PolarHBondContact O-N 3.09Å
769	L	80.8	Confident	79.6	Confident	26 Å²	26	79.3 Å²	79.3	14%	0.136	41%	0.411	C	S	.	.	H	α-helix	trans	-60	-45.4	175.6	-167.5	85.8	0	0	0	112	M765 S766 I767 L772 R773	M765-L769 WeakPolarHBondContact O-CB 3.4Å; M765-L769 PolarHBondContact O-N 3.07Å; S766-L769 PolarHBondContact O-N 3.39Å; I767-L769 VanDerWaalsContact C-N 3.34Å; I767-L769 PolarHBondContact O-N 2.97Å; L769-L772 PolarHBondContact O-N 3.13Å; L769-R773 WeakPolarHBondContact O-CG 3.44Å; L769-R773 PolarHBondContact O-N 2.91Å
770	N	81.5	Confident	79.5	Confident	90 Å²	90	78.9 Å²	78.9	48%	0.481	41%	0.411	S	S	.	.	H	α-helix	trans	-66.7	-38.1	177.6	-74.3	-27.3	0	0	0	112.2	S766 I767 L768 R773 S774	S766-N770 WeakPolarHBondContact O-CB 2.97Å; S766-N770 PolarHBondContact O-N 3.19Å; S766-N770 PolarHBondContact O-ND2 3.39Å; I767-N770 PolarHBondContact O-N 2.9Å; L768-N770 PolarHBondContact O-N 3.06Å; N770-R773 PolarHBondContact O-N 3.08Å; N770-S774 WeakPolarHBondContact O-CB 3.14Å; N770-S774 PolarHBondContact O-N 3.39Å
771	S	85.6	Confident	79.5	Confident	55 Å²	55	81.6 Å²	81.6	39%	0.385	42%	0.42	S	S	.	.	H	α-helix	trans	-60	-47.8	172.9	-178.4	0	0	0	0	111.4	I767 L768 R773 S774 Q775	I767-S771 WeakPolarHBondContact O-CB 3.48Å; I767-S771 PolarHBondContact O-N 3.47Å; L768-S771 WeakPolarHBondContact O-CB 3.4Å; L768-S771 PolarHBondContact O-N 2.98Å; S771-R773 PolarHBondContact O-N 3.47Å; S771-S774 WeakPolarHBondContact O-CB 3.39Å; S771-S774 PolarHBondContact O-N 3.03Å; S771-Q775 WeakPolarHBondContact O-CG 3.42Å; S771-Q775 PolarHBondContact O-N 3.4Å
772	L	78.5	Confident	79.5	Confident	44 Å²	44	84.2 Å²	84.2	23%	0.23	43%	0.425	C	S	.	.	H	α-helix	trans	-61.7	-41.9	175.8	-72.1	172.5	0	0	0	112.4	L768 L769 S774 Q775 L776	L768-L772 HydrophobicContact CD2-CD1 3.56Å; L768-L772 HydrophobicContact CD2-CG 3.89Å; L768-L772 WeakPolarHBondContact O-CG 3.19Å; L768-L772 PolarHBondContact O-N 3.09Å; L769-L772 PolarHBondContact O-N 3.13Å; L772-S774 VanDerWaalsContact C-N 3.33Å; L772-S774 PolarHBondContact O-N 3.5Å; L772-Q775 PolarHBondContact O-N 3.32Å; L772-L776 WeakPolarHBondContact O-CB 2.98Å; L772-L776 WeakPolarHBondContact O-CG 3.39Å; L772-L776 PolarHBondContact O-N 3.4Å
773	R	80.6	Confident	79.5	Confident	127 Å²	127	84 Å²	84	48%	0.479	43%	0.427	S	S	.	.	H	α-helix	trans	-61.1	-40.4	174.4	-74.9	175	178.1	173.1	-1.2	112	L769 N770 S771 L776 S777	L769-R773 WeakPolarHBondContact O-CG 3.44Å; L769-R773 PolarHBondContact O-N 2.91Å; N770-R773 PolarHBondContact O-N 3.08Å; S771-R773 PolarHBondContact O-N 3.47Å; R773-L776 WeakPolarHBondContact O-CB 3.41Å; R773-L776 PolarHBondContact O-N 3.47Å; R773-S777 PolarHBondContact O-N 2.9Å
774	S	80.2	Confident	79.2	Confident	65 Å²	65	86.2 Å²	86.2	46%	0.455	43%	0.431	S	S	.	.	H	α-helix	trans	-65.6	-47.1	175.9	-173.2	0	0	0	0	111.8	N770 S771 L772 L776 S777 I778	N770-S774 WeakPolarHBondContact O-CB 3.14Å; N770-S774 PolarHBondContact O-N 3.39Å; S771-S774 WeakPolarHBondContact O-CB 3.39Å; S771-S774 PolarHBondContact O-N 3.03Å; L772-S774 VanDerWaalsContact C-N 3.33Å; L772-S774 PolarHBondContact O-N 3.5Å; S774-L776 VanDerWaalsContact C-N 3.29Å; S774-L776 PolarHBondContact O-N 3.37Å; S774-S777 WeakPolarHBondContact O-CB 3.41Å; S774-S777 PolarHBondContact O-N 3.44Å; S774-S777 VanDerWaalsContact O-N 3.12Å; S774-I778 WeakPolarHBondContact O-CG1 3.4Å; S774-I778 PolarHBondContact O-N 3.28Å
775	Q	81.7	Confident	78.9	Confident	109 Å²	109	89 Å²	89	51%	0.509	44%	0.438	S	S	.	.	H	α-helix	trans	-60.1	-38.8	176.4	-70.7	179.9	8.6	0	0	112.2	S771 L772 I778 R779	S771-Q775 WeakPolarHBondContact O-CG 3.42Å; S771-Q775 PolarHBondContact O-N 3.4Å; L772-Q775 PolarHBondContact O-N 3.32Å; Q775-I778 PolarHBondContact O-N 3.48Å; Q775-R779 PolarHBondContact O-N 2.92Å
776	L	77.7	Confident	78.9	Confident	33 Å²	33	90.7 Å²	90.7	17%	0.173	45%	0.445	C	S	.	.	H	α-helix	trans	-62.3	-46.3	172.2	-86.3	162.2	0	0	0	112.6	L637 L640 I644 L772 R773 S774 I778 R779 T780	L637-L776 HydrophobicContact CD1-CD2 4.45Å; L640-L776 HydrophobicContact CD2-CD1 4.27Å; L640-L776 HydrophobicContact CD2-CD2 3.24Å; L640-L776 HydrophobicContact CD2-CG 3.79Å; L640-L776 HydrophobicContact CG-CD1 4.3Å; L640-L776 HydrophobicContact CG-CD2 3.92Å; L640-L776 HydrophobicContact CG-CG 4.36Å; I644-L776 HydrophobicContact CD1-CD1 3.26Å; I644-L776 HydrophobicContact CG1-CD1 4.3Å; L772-L776 WeakPolarHBondContact O-CB 2.98Å; L772-L776 WeakPolarHBondContact O-CG 3.39Å; L772-L776 PolarHBondContact O-N 3.4Å; R773-L776 WeakPolarHBondContact O-CB 3.41Å; R773-L776 PolarHBondContact O-N 3.47Å; S774-L776 VanDerWaalsContact C-N 3.29Å; S774-L776 PolarHBondContact O-N 3.37Å; L776-I778 VanDerWaalsContact C-N 3.27Å; L776-I778 PolarHBondContact O-N 2.87Å; L776-R779 PolarHBondContact O-N 2.66Å; L776-T780 WeakPolarHBondContact O-CB 3.35Å; L776-T780 WeakPolarHBondContact O-CG2 3.49Å; L776-T780 PolarHBondContact O-N 3.4Å; L776-T780 PolarHBondContact O-OG1 3.46Å
777	S	80.9	Confident	78.5	Confident	51 Å²	51	93.9 Å²	93.9	36%	0.357	46%	0.458	S	S	.	.	H	α-helix	trans	-57.6	-40.9	175.3	168.1	0	0	0	0	111.7	R773 S774 T780 K781	R773-S777 PolarHBondContact O-N 2.9Å; S774-S777 WeakPolarHBondContact O-CB 3.41Å; S774-S777 PolarHBondContact O-N 3.44Å; S774-S777 VanDerWaalsContact O-N 3.12Å; S777-T780 WeakPolarHBondContact CA-OG1 3.46Å; S777-T780 PolarHBondContact O-OG1 3Å; S777-K781 VanDerWaalsContact O-CG 3.28Å; S777-K781 WeakPolarHBondContact O-CG 3.16Å; S777-K781 PolarHBondContact O-N 3.11Å
778	I	81.3	Confident	77.9	Confident	101 Å²	101	94.3 Å²	94.3	52%	0.518	46%	0.457	S	S	.	.	H	α-helix	trans	-68.3	-51	178	-65.2	166.7	0	0	0	110.6	S774 Q775 L776 T780 K781 E782	S774-I778 WeakPolarHBondContact O-CG1 3.4Å; S774-I778 PolarHBondContact O-N 3.28Å; Q775-I778 PolarHBondContact O-N 3.48Å; L776-I778 VanDerWaalsContact C-N 3.27Å; L776-I778 PolarHBondContact O-N 2.87Å; I778-T780 PolarHBondContact O-N 2.98Å; I778-K781 WeakPolarHBondContact O-CB 3.45Å; I778-K781 PolarHBondContact O-N 3.18Å; I778-K781 VanDerWaalsContact O-N 3.16Å; I778-E782 PolarHBondContact O-N 2.8Å
779	R	79.1	Confident	77.3	Confident	167 Å²	167	97.1 Å²	97.1	63%	0.63	46%	0.461	S	S	*	.	H	α-helix	trans	-66.1	-33.8	-180	-86.3	-158.4	177.4	138.9	1.4	113.9	Q775 L776 K781 E782 T783	Q775-R779 PolarHBondContact O-N 2.92Å; L776-R779 PolarHBondContact O-N 2.66Å; R779-K781 VanDerWaalsContact C-N 3.32Å; R779-E782 PolarHBondContact O-N 3.16Å; R779-T783 WeakPolarHBondContact O-CB 3.07Å; R779-T783 WeakPolarHBondContact O-CG2 3.39Å; R779-T783 PolarHBondContact O-N 3.06Å; R779-T783 PolarHBondContact O-OG1 2.88Å
780	T	77.2	Confident	76.5	Confident	63 Å²	63	98.1 Å²	98.1	39%	0.387	47%	0.467	S	S	.	.	H	α-helix	trans	-67.2	-34.2	174	51.5	0	0	0	0	111.6	L776 S777 I778 T783 R784	L776-T780 WeakPolarHBondContact O-CB 3.35Å; L776-T780 WeakPolarHBondContact O-CG2 3.49Å; L776-T780 PolarHBondContact O-N 3.4Å; L776-T780 PolarHBondContact O-OG1 3.46Å; S777-T780 WeakPolarHBondContact CA-OG1 3.46Å; S777-T780 PolarHBondContact O-OG1 3Å; I778-T780 PolarHBondContact O-N 2.98Å; T780-T783 WeakPolarHBondContact CA-OG1 3.17Å; T780-T783 PolarHBondContact O-OG1 3.29Å; T780-T783 VanDerWaalsContact O-OG1 3.09Å; T780-R784 VanDerWaalsContact O-CB 3.23Å; T780-R784 WeakPolarHBondContact O-CB 3.25Å; T780-R784 PolarHBondContact O-N 3.3Å; T780-R784 VanDerWaalsContact O-N 3.07Å
781	K	76.1	Confident	75.7	Confident	130 Å²	130	99.4 Å²	99.4	57%	0.565	47%	0.469	S	S	*	.	H	α-helix	trans	-68.3	-41.5	171	-73.4	172.3	-176.9	179.5	0	112.1	S777 I778 R779 R784 K785	S777-K781 VanDerWaalsContact O-CG 3.28Å; S777-K781 WeakPolarHBondContact O-CG 3.16Å; S777-K781 PolarHBondContact O-N 3.11Å; I778-K781 WeakPolarHBondContact O-CB 3.45Å; I778-K781 PolarHBondContact O-N 3.18Å; I778-K781 VanDerWaalsContact O-N 3.16Å; R779-K781 VanDerWaalsContact C-N 3.32Å; K781-R784 PolarHBondContact O-N 2.91Å; K781-K785 WeakPolarHBondContact O-CG 3.32Å; K781-K785 PolarHBondContact O-N 3.37Å
782	E	79.3	Confident	74.7	Confident	118 Å²	118	99.5 Å²	99.5	55%	0.551	47%	0.47	S	S	*	.	H	α-helix	trans	-66.4	-48.9	179.7	-169.4	170.3	-151.5	0	0	111.9	I778 R779 R784 K785 E786	I778-E782 PolarHBondContact O-N 2.8Å; R779-E782 PolarHBondContact O-N 3.16Å; E782-R784 VanDerWaalsContact C-N 3.27Å; E782-R784 PolarHBondContact O-N 3.42Å; E782-K785 WeakPolarHBondContact O-CB 3.24Å; E782-K785 PolarHBondContact O-N 3.31Å; E782-E786 PolarHBondContact O-N 2.91Å
783	T	73.1	Confident	74	Confident	62 Å²	62	102 Å²	102	38%	0.38	48%	0.481	S	S	.	.	H	α-helix	trans	-60.1	-36.2	173.4	50.2	0	0	0	0	112.2	V633 R779 T780 E786 L787	V633-T783 HydrophobicContact CG1-CG2 4.33Å; R779-T783 WeakPolarHBondContact O-CB 3.07Å; R779-T783 WeakPolarHBondContact O-CG2 3.39Å; R779-T783 PolarHBondContact O-N 3.06Å; R779-T783 PolarHBondContact O-OG1 2.88Å; T780-T783 WeakPolarHBondContact CA-OG1 3.17Å; T780-T783 PolarHBondContact O-OG1 3.29Å; T780-T783 VanDerWaalsContact O-OG1 3.09Å; T783-E786 PolarHBondContact O-N 3.48Å; T783-L787 VanDerWaalsContact O-CB 3.28Å; T783-L787 WeakPolarHBondContact O-CB 3.43Å; T783-L787 PolarHBondContact O-N 2.92Å
784	R	72.4	Confident	73	Confident	165 Å²	165	99 Å²	99	62%	0.623	47%	0.474	S	S	*	.	H	α-helix	trans	-64.1	-40.9	173	-166.7	-173.1	-136.6	116.7	0.2	112.1	T780 K781 E782 L787 H788	T780-R784 VanDerWaalsContact O-CB 3.23Å; T780-R784 WeakPolarHBondContact O-CB 3.25Å; T780-R784 PolarHBondContact O-N 3.3Å; T780-R784 VanDerWaalsContact O-N 3.07Å; K781-R784 PolarHBondContact O-N 2.91Å; E782-R784 VanDerWaalsContact C-N 3.27Å; E782-R784 PolarHBondContact O-N 3.42Å; R784-L787 PolarHBondContact O-N 3.28Å; R784-H788 PolarHBondContact O-CD2 3.29Å; R784-H788 PolarHBondContact O-N 2.9Å
785	K	76	Confident	71.7	Confident	155 Å²	155	98.7 Å²	98.7	67%	0.674	47%	0.469	S	S	*	.	H	α-helix	trans	-64.5	-45.9	175.9	-74.6	177.7	179.7	-177.1	0	111.4	K781 E782 L787 H788 R789	K781-K785 WeakPolarHBondContact O-CG 3.32Å; K781-K785 PolarHBondContact O-N 3.37Å; E782-K785 WeakPolarHBondContact O-CB 3.24Å; E782-K785 PolarHBondContact O-N 3.31Å; K785-L787 VanDerWaalsContact C-N 3.34Å; K785-L787 PolarHBondContact O-N 3.23Å; K785-H788 PolarHBondContact O-N 3.44Å; K785-R789 WeakPolarHBondContact O-CB 3.38Å; K785-R789 PolarHBondContact O-N 3.37Å
786	E	74.5	Confident	70.3	Confident	96 Å²	96	99.6 Å²	99.6	45%	0.449	48%	0.476	S	S	.	.	H	α-helix	trans	-64.4	-39.9	176.9	-74.2	-56.4	156.9	0	0	112	E782 T783 H788 R789 L790	E782-E786 PolarHBondContact O-N 2.91Å; T783-E786 PolarHBondContact O-N 3.48Å; E786-H788 PolarHBondContact O-N 3.02Å; E786-R789 WeakPolarHBondContact O-CB 3.39Å; E786-R789 PolarHBondContact O-N 3.26Å; E786-L790 WeakPolarHBondContact O-CG 3.44Å; E786-L790 PolarHBondContact O-N 3.39Å
787	L	70.8	Confident	69.1	Low	112 Å²	112	103.7 Å²	103.7	59%	0.586	50%	0.499	S	S	*	.	H	α-helix	trans	-60.6	-45	172.8	-166.4	106.7	0	0	0	111.2	T783 R784 K785 R789 L790 H791	T783-L787 VanDerWaalsContact O-CB 3.28Å; T783-L787 WeakPolarHBondContact O-CB 3.43Å; T783-L787 PolarHBondContact O-N 2.92Å; R784-L787 PolarHBondContact O-N 3.28Å; K785-L787 VanDerWaalsContact C-N 3.34Å; K785-L787 PolarHBondContact O-N 3.23Å; L787-R789 VanDerWaalsContact C-N 3.33Å; L787-R789 PolarHBondContact O-N 2.84Å; L787-L790 PolarHBondContact O-N 2.73Å; L787-H791 VanDerWaalsContact O-CB 3.32Å; L787-H791 WeakPolarHBondContact O-CB 3.44Å; L787-H791 PolarHBondContact O-N 3.15Å
788	H	69.5	Low	67.5	Low	118 Å²	118	106.5 Å²	106.5	55%	0.546	51%	0.51	S	S	.	.	H	α-helix	trans	-62.6	-37.7	175.3	-81.4	-60.4	0	0	0	112.7	R784 K785 E786 H791 S792	R784-H788 PolarHBondContact O-CD2 3.29Å; R784-H788 PolarHBondContact O-N 2.9Å; K785-H788 PolarHBondContact O-N 3.44Å; E786-H788 PolarHBondContact O-N 3.02Å; H788-H791 PolarHBondContact O-N 3.13Å; H788-S792 WeakPolarHBondContact O-CB 3.41Å; H788-S792 PolarHBondContact O-N 3.42Å; H788-S792 PolarHBondContact O-OG 3.03Å
789	R	66.3	Low	65.7	Low	152 Å²	152	107 Å²	107	57%	0.574	51%	0.513	S	S	*	.	H	α-helix	trans	-65	-43.1	175.8	-177.1	-177.6	173.1	149.6	0.2	111.7	K785 E786 L787 S792 Q793	K785-R789 WeakPolarHBondContact O-CB 3.38Å; K785-R789 PolarHBondContact O-N 3.37Å; E786-R789 WeakPolarHBondContact O-CB 3.39Å; E786-R789 PolarHBondContact O-N 3.26Å; L787-R789 VanDerWaalsContact C-N 3.33Å; L787-R789 PolarHBondContact O-N 2.84Å; R789-S792 PolarHBondContact O-N 2.77Å; R789-S792 PolarHBondContact O-OG 3.33Å; R789-Q793 WeakPolarHBondContact O-CG 3.32Å; R789-Q793 PolarHBondContact O-N 3.45Å
790	L	65.2	Low	64	Low	48 Å²	48	109.7 Å²	109.7	25%	0.251	52%	0.523	S	S	.	.	H	α-helix	trans	-68.8	-38.6	174.9	-70.9	169.3	0	0	0	111.5	L626 L629 E786 L787 S792 Q793 L794	L626-L790 HydrophobicContact CD1-CB 4.23Å; L626-L790 HydrophobicContact CD1-CD1 3.86Å; L626-L790 HydrophobicContact CD1-CD2 3.85Å; L626-L790 HydrophobicContact CD1-CG 4.2Å; L629-L790 HydrophobicContact CD2-CD1 4.27Å; E786-L790 WeakPolarHBondContact O-CG 3.44Å; E786-L790 PolarHBondContact O-N 3.39Å; L787-L790 PolarHBondContact O-N 2.73Å; L790-S792 VanDerWaalsContact C-N 3.34Å; L790-S792 PolarHBondContact O-N 3.31Å; L790-Q793 PolarHBondContact O-N 3.35Å; L790-L794 WeakPolarHBondContact O-CB 3.41Å; L790-L794 WeakPolarHBondContact O-CG 3.42Å; L790-L794 PolarHBondContact O-N 3.13Å
791	H	63.7	Low	62.4	Low	116 Å²	116	111.3 Å²	111.3	54%	0.537	54%	0.537	S	S	.	.	H	α-helix	trans	-65.1	-38.8	176.5	-138.3	78.8	0	0	0	111.5	L787 H788 L794 T795	L787-H791 VanDerWaalsContact O-CB 3.32Å; L787-H791 WeakPolarHBondContact O-CB 3.44Å; L787-H791 PolarHBondContact O-N 3.15Å; H788-H791 PolarHBondContact O-N 3.13Å; H791-L794 PolarHBondContact O-N 2.96Å; H791-T795 WeakPolarHBondContact O-CG2 3.49Å; H791-T795 PolarHBondContact O-N 2.71Å; H791-T795 PolarHBondContact O-OG1 2.75Å
792	S	65.7	Low	60.6	Low	57 Å²	57	114.1 Å²	114.1	40%	0.399	55%	0.549	S	S	.	.	H	α-helix	trans	-68.9	-36.2	175.3	68.5	0	0	0	0	112.3	H788 R789 L790 T795 I796	H788-S792 WeakPolarHBondContact O-CB 3.41Å; H788-S792 PolarHBondContact O-N 3.42Å; H788-S792 PolarHBondContact O-OG 3.03Å; R789-S792 PolarHBondContact O-N 2.77Å; R789-S792 PolarHBondContact O-OG 3.33Å; L790-S792 VanDerWaalsContact C-N 3.34Å; L790-S792 PolarHBondContact O-N 3.31Å; S792-T795 WeakPolarHBondContact CA-OG1 3.25Å; S792-T795 PolarHBondContact O-OG1 2.81Å; S792-I796 WeakPolarHBondContact O-CD1 3.45Å; S792-I796 VanDerWaalsContact O-CG1 3.27Å; S792-I796 WeakPolarHBondContact O-CG1 3.4Å; S792-I796 PolarHBondContact O-N 3.28Å
793	Q	63.3	Low	58.8	Low	97 Å²	97	116.7 Å²	116.7	45%	0.453	56%	0.559	S	S	.	*	H	α-helix	trans	-66.3	-40.3	172.3	-74	175.5	-22.5	0	0	112.2	R789 L790 I796 N797	R789-Q793 WeakPolarHBondContact O-CG 3.32Å; R789-Q793 PolarHBondContact O-N 3.45Å; L790-Q793 PolarHBondContact O-N 3.35Å; Q793-I796 PolarHBondContact O-N 3.1Å; Q793-N797 PolarHBondContact O-N 3.11Å
794	L	60.1	Low	57.4	Low	65 Å²	65	119.4 Å²	119.4	34%	0.34	57%	0.565	S	S	.	*	H	α-helix	trans	-72.7	-35.3	177.3	-74.9	170.7	0	0	0	112.8	L626 L790 H791 I796 N797 N798	L626-L794 HydrophobicContact CD1-CD1 4.48Å; L626-L794 HydrophobicContact CD2-CD1 4.04Å; L790-L794 WeakPolarHBondContact O-CB 3.41Å; L790-L794 WeakPolarHBondContact O-CG 3.42Å; L790-L794 PolarHBondContact O-N 3.13Å; H791-L794 PolarHBondContact O-N 2.96Å; L794-I796 VanDerWaalsContact C-N 3.27Å; L794-I796 PolarHBondContact O-N 3.13Å; L794-N797 PolarHBondContact O-N 3.1Å; L794-N797 VanDerWaalsContact O-N 3.14Å; L794-N798 VanDerWaalsContact O-CB 3.31Å; L794-N798 WeakPolarHBondContact O-CB 3.43Å; L794-N798 PolarHBondContact O-N 2.86Å
795	T	53.1	Low	56.1	Low	58 Å²	58	117.5 Å²	117.5	36%	0.356	57%	0.566	S	S	.	*	H	α-helix	trans	-65.3	-34	173.9	44.6	0	0	0	0	111.4	H791 S792 N797 N799	H791-T795 WeakPolarHBondContact O-CG2 3.49Å; H791-T795 PolarHBondContact O-N 2.71Å; H791-T795 PolarHBondContact O-OG1 2.75Å; S792-T795 WeakPolarHBondContact CA-OG1 3.25Å; S792-T795 PolarHBondContact O-OG1 2.81Å; T795-N797 VanDerWaalsContact C-N 3.3Å; T795-N797 PolarHBondContact O-N 2.85Å; T795-N799 WeakPolarHBondContact O-CB 3.47Å; T795-N799 PolarHBondContact O-N 3.02Å; T795-N799 PolarHBondContact O-ND2 2.9Å; T795-N799 VanDerWaalsContact O-ND2 3.13Å
796	I	50.6	Low	54.8	Low	128 Å²	128	115.7 Å²	115.7	66%	0.656	56%	0.564	S	S	*	*	H	α-helix	trans	-62.6	-37.5	172.2	-67.3	165.9	0	0	0	111.2	S792 Q793 L794	S792-I796 WeakPolarHBondContact O-CD1 3.45Å; S792-I796 VanDerWaalsContact O-CG1 3.27Å; S792-I796 WeakPolarHBondContact O-CG1 3.4Å; S792-I796 PolarHBondContact O-N 3.28Å; Q793-I796 PolarHBondContact O-N 3.1Å; L794-I796 VanDerWaalsContact C-N 3.27Å; L794-I796 PolarHBondContact O-N 3.13Å
797	N	52.4	Low	53.5	Low	119 Å²	119	116.5 Å²	116.5	64%	0.636	57%	0.566	S	S	*	*	H	α-helix	trans	-86.8	-36.7	-179	-91.2	-15.5	0	0	0	115	Q793 L794 T795 R800	Q793-N797 PolarHBondContact O-N 3.11Å; L794-N797 PolarHBondContact O-N 3.1Å; L794-N797 VanDerWaalsContact O-N 3.14Å; T795-N797 VanDerWaalsContact C-N 3.3Å; T795-N797 PolarHBondContact O-N 2.85Å; N797-R800 WeakPolarHBondContact O-CB 3.47Å; N797-R800 PolarHBondContact O-N 2.95Å
798	N	48	Very low	52.4	Low	110 Å²	110	116.2 Å²	116.2	59%	0.588	56%	0.562	S	S	*	*	H	α-helix	trans	-82.6	-22.9	-175.6	-163.3	15.1	0	0	0	113.1	L794 R800 S801	L794-N798 VanDerWaalsContact O-CB 3.31Å; L794-N798 WeakPolarHBondContact O-CB 3.43Å; L794-N798 PolarHBondContact O-N 2.86Å; N798-R800 PolarHBondContact O-N 3.24Å; N798-S801 PolarHBondContact O-N 3.42Å
799	N	43.4	Very low	51.4	Low	110 Å²	110	116.2 Å²	116.2	59%	0.588	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-7.1	170.4	-75	-12.3	0	0	0	112.8	T795	T795-N799 WeakPolarHBondContact O-CB 3.47Å; T795-N799 PolarHBondContact O-N 3.02Å; T795-N799 PolarHBondContact O-ND2 2.9Å; T795-N799 VanDerWaalsContact O-ND2 3.13Å
800	R	44.4	Very low	50.8	Low	224 Å²	224	113.1 Å²	113.1	85%	0.845	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-8.8	-178	-143.6	171.7	-173.6	175	1.2	115.9	N797 N798	N797-R800 WeakPolarHBondContact O-CB 3.47Å; N797-R800 PolarHBondContact O-N 2.95Å; N798-R800 PolarHBondContact O-N 3.24Å
801	S	43.5	Very low	50.2	Low	97 Å²	97	114.4 Å²	114.4	68%	0.678	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.1	-27.1	-167.5	-153.5	0	0	0	0	121.9	N798	N798-S801 PolarHBondContact O-N 3.42Å
802	K	37.9	Very low	49.9	Very low	189 Å²	189	114 Å²	114	82%	0.822	57%	0.569	S	S	*	*	S	Bend	trans	-157.5	-12.9	176.3	-116.2	155.9	-172	-179.7	0	120.7	F804	K802-F804 VanDerWaalsContact C-N 3.34Å
803	K	41.9	Very low	49.6	Very low	173 Å²	173	116.5 Å²	116.5	75%	0.752	57%	0.574	S	S	*	*	S	Bend	trans	-85.2	-4.3	173.1	-88.3	-175.3	175.3	-178.5	0	114.4	I805 F807	K803-I805 PolarHBondContact O-N 3.37Å; K803-F807 WeakPolarHBondContact O-CB 3.47Å; K803-F807 PolarHBondContact O-N 2.76Å; K803-F807 VanDerWaalsContact O-N 3.15Å
804	F	42.6	Very low	49.2	Very low	118 Å²	118	116.3 Å²	116.3	52%	0.518	58%	0.576	S	S	.	*	H	α-helix	trans	-69.3	-32.7	-174.3	-152.7	-89.9	0	0	0	112.9	K802 E808	K802-F804 VanDerWaalsContact C-N 3.34Å; F804-E808 HydrophobicContact CD1-CG 4.35Å; F804-E808 HydrophobicContact CE1-CG 4.12Å; F804-E808 PolarHBondContact O-N 2.88Å; F804-E808 VanDerWaalsContact O-N 3.15Å
805	I	45.2	Very low	49.4	Very low	125 Å²	125	118.7 Å²	118.7	64%	0.641	59%	0.585	S	S	*	*	H	α-helix	trans	-77.7	-38.3	-174.3	-59.5	175.5	0	0	0	112	K803	K803-I805 PolarHBondContact O-N 3.37Å
806	D	48.9	Very low	50.2	Low	117 Å²	117	120.7 Å²	120.7	63%	0.626	59%	0.594	S	S	*	*	H	α-helix	trans	-81.2	-25.8	176.2	-66.2	-22.5	0	0	0	112.4	N810	D806-N810 PolarHBondContact O-N 2.95Å; D806-N810 PolarHBondContact O-ND2 2.72Å
807	F	48	Very low	51.1	Low	113 Å²	113	118.4 Å²	118.4	50%	0.496	58%	0.579	S	S	.	*	H	α-helix	trans	-73.3	-31.9	176.5	-171.5	-116.6	0	0	0	112.1	K803 N809 N810 L811	K803-F807 WeakPolarHBondContact O-CB 3.47Å; K803-F807 PolarHBondContact O-N 2.76Å; K803-F807 VanDerWaalsContact O-N 3.15Å; F807-N809 PolarHBondContact O-N 2.61Å; F807-N810 PolarHBondContact O-N 2.84Å; F807-L811 HydrophobicContact CD1-CD1 3.34Å; F807-L811 HydrophobicContact CD1-CG 3.76Å; F807-L811 HydrophobicContact CD2-CG 4.46Å; F807-L811 HydrophobicContact CE1-CD1 3.21Å; F807-L811 HydrophobicContact CE1-CD2 3.92Å; F807-L811 HydrophobicContact CE1-CG 3.48Å; F807-L811 VanDerWaalsContact CE1-CG 3.48Å; F807-L811 HydrophobicContact CE2-CG 4.19Å; F807-L811 HydrophobicContact CG-CD1 4.21Å; F807-L811 HydrophobicContact CG-CG 4.26Å; F807-L811 HydrophobicContact CZ-CD1 3.97Å; F807-L811 HydrophobicContact CZ-CD2 3.83Å; F807-L811 HydrophobicContact CZ-CG 3.7Å; F807-L811 VanDerWaalsContact O-CB 3.23Å; F807-L811 WeakPolarHBondContact O-CB 3.38Å; F807-L811 WeakPolarHBondContact O-CG 3.46Å; F807-L811 PolarHBondContact O-N 2.89Å
808	E	46.7	Very low	51.6	Low	107 Å²	107	117.3 Å²	117.3	50%	0.5	57%	0.572	S	S	.	*	H	α-helix	trans	-60.3	-42.7	176.6	-98.4	-169.2	149.1	0	0	112.8	F804 L811 L812	F804-E808 HydrophobicContact CD1-CG 4.35Å; F804-E808 HydrophobicContact CE1-CG 4.12Å; F804-E808 PolarHBondContact O-N 2.88Å; F804-E808 VanDerWaalsContact O-N 3.15Å; E808-L811 PolarHBondContact O-N 3.17Å; E808-L812 PolarHBondContact O-N 2.89Å
809	N	48	Very low	52.9	Low	118 Å²	118	116 Å²	116	63%	0.631	57%	0.565	S	S	*	*	H	α-helix	trans	-70	-39.1	179.7	-71.4	-30.4	0	0	0	112	F807 L812 Q813	F807-N809 PolarHBondContact O-N 2.61Å; N809-L812 PolarHBondContact O-N 2.84Å; N809-Q813 PolarHBondContact O-N 2.83Å
810	N	54.4	Low	54.1	Low	87 Å²	87	115 Å²	115	47%	0.465	56%	0.559	S	S	.	*	H	α-helix	trans	-68.9	-35.3	175.2	-71.8	-48.8	0	0	0	112.2	D806 F807 L812 Q813 L814	D806-N810 PolarHBondContact O-N 2.95Å; D806-N810 PolarHBondContact O-ND2 2.72Å; F807-N810 PolarHBondContact O-N 2.84Å; N810-L812 VanDerWaalsContact C-N 3.35Å; N810-Q813 PolarHBondContact O-N 3.44Å; N810-L814 WeakPolarHBondContact O-CB 3.43Å; N810-L814 PolarHBondContact O-N 2.93Å
811	L	53.4	Low	54.9	Low	75 Å²	75	108.4 Å²	108.4	39%	0.393	54%	0.54	S	S	.	.	H	α-helix	trans	-63	-41.2	174.8	-92.6	173.7	0	0	0	111.6	F807 E808 Q813 L814 Q815	F807-L811 HydrophobicContact CD1-CD1 3.34Å; F807-L811 HydrophobicContact CD1-CG 3.76Å; F807-L811 HydrophobicContact CD2-CG 4.46Å; F807-L811 HydrophobicContact CE1-CD1 3.21Å; F807-L811 HydrophobicContact CE1-CD2 3.92Å; F807-L811 HydrophobicContact CE1-CG 3.48Å; F807-L811 VanDerWaalsContact CE1-CG 3.48Å; F807-L811 HydrophobicContact CE2-CG 4.19Å; F807-L811 HydrophobicContact CG-CD1 4.21Å; F807-L811 HydrophobicContact CG-CG 4.26Å; F807-L811 HydrophobicContact CZ-CD1 3.97Å; F807-L811 HydrophobicContact CZ-CD2 3.83Å; F807-L811 HydrophobicContact CZ-CG 3.7Å; F807-L811 VanDerWaalsContact O-CB 3.23Å; F807-L811 WeakPolarHBondContact O-CB 3.38Å; F807-L811 WeakPolarHBondContact O-CG 3.46Å; F807-L811 PolarHBondContact O-N 2.89Å; E808-L811 PolarHBondContact O-N 3.17Å; L811-Q813 VanDerWaalsContact C-N 3.34Å; L811-Q813 PolarHBondContact O-N 2.72Å; L811-L814 PolarHBondContact O-N 2.98Å; L811-Q815 VanDerWaalsContact O-CB 3.27Å; L811-Q815 WeakPolarHBondContact O-CB 3.34Å; L811-Q815 PolarHBondContact O-N 2.84Å
812	L	56	Low	56.2	Low	107 Å²	107	107.5 Å²	107.5	56%	0.56	53%	0.531	S	S	*	.	H	α-helix	trans	-68.4	-36.4	-178.3	-151.9	139.1	0	0	0	111.5	E808 N809 N810 N816	E808-L812 PolarHBondContact O-N 2.89Å; N809-L812 PolarHBondContact O-N 2.84Å; N810-L812 VanDerWaalsContact C-N 3.35Å; L812-N816 PolarHBondContact O-N 3.2Å
813	Q	60.4	Low	57.7	Low	110 Å²	110	104.2 Å²	104.2	51%	0.514	52%	0.521	S	S	.	.	H	α-helix	trans	-68.3	-41.8	172.4	-167.6	178.8	4.7	0	0	112.1	N809 N810 L811 N816 K817	N809-Q813 PolarHBondContact O-N 2.83Å; N810-Q813 PolarHBondContact O-N 3.44Å; L811-Q813 VanDerWaalsContact C-N 3.34Å; L811-Q813 PolarHBondContact O-N 2.72Å; Q813-N816 PolarHBondContact O-N 3.27Å; Q813-K817 WeakPolarHBondContact O-CG 3.3Å; Q813-K817 PolarHBondContact O-N 2.79Å
814	L	54.2	Low	59	Low	92 Å²	92	100.4 Å²	100.4	48%	0.482	50%	0.502	S	S	.	.	H	α-helix	trans	-64.3	-40.5	175.4	-86.3	162.1	0	0	0	112	N810 L811 N816 K817 I818	N810-L814 WeakPolarHBondContact O-CB 3.43Å; N810-L814 PolarHBondContact O-N 2.93Å; L811-L814 PolarHBondContact O-N 2.98Å; L814-N816 PolarHBondContact O-N 3.08Å; L814-K817 PolarHBondContact O-N 2.75Å; L814-K817 VanDerWaalsContact O-N 3.16Å; L814-I818 VanDerWaalsContact O-CG1 3.3Å; L814-I818 WeakPolarHBondContact O-CG1 3.45Å; L814-I818 PolarHBondContact O-N 3.41Å
815	Q	64.3	Low	59.9	Low	116 Å²	116	99 Å²	99	54%	0.542	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-42	179.7	-172.1	173.1	1.4	0	0	111.6	L811 K817 I818 N819	L811-Q815 VanDerWaalsContact O-CB 3.27Å; L811-Q815 WeakPolarHBondContact O-CB 3.34Å; L811-Q815 PolarHBondContact O-N 2.84Å; Q815-K817 VanDerWaalsContact C-N 3.34Å; Q815-K817 PolarHBondContact O-N 3.29Å; Q815-I818 PolarHBondContact O-N 3.39Å; Q815-N819 PolarHBondContact O-N 2.83Å; Q815-N819 PolarHBondContact O-ND2 3.27Å
816	N	70.6	Confident	61.1	Low	100 Å²	100	96.4 Å²	96.4	54%	0.535	49%	0.492	S	S	.	.	H	α-helix	trans	-64.6	-37.9	174.1	-74.1	-20.9	0	0	0	112.4	L812 Q813 L814 N819 L820	L812-N816 PolarHBondContact O-N 3.2Å; Q813-N816 PolarHBondContact O-N 3.27Å; L814-N816 PolarHBondContact O-N 3.08Å; N816-N819 PolarHBondContact O-N 2.71Å; N816-L820 PolarHBondContact O-N 3.47Å
817	K	68.1	Low	62.2	Low	80 Å²	80	94.3 Å²	94.3	35%	0.348	48%	0.481	S	S	.	.	H	α-helix	trans	-69.7	-37.9	176.4	-72.8	-179.8	172.3	-171.5	0	112.4	Q813 L814 Q815 L820 L821 E893	Q813-K817 WeakPolarHBondContact O-CG 3.3Å; Q813-K817 PolarHBondContact O-N 2.79Å; L814-K817 PolarHBondContact O-N 2.75Å; L814-K817 VanDerWaalsContact O-N 3.16Å; Q815-K817 VanDerWaalsContact C-N 3.34Å; Q815-K817 PolarHBondContact O-N 3.29Å; K817-L820 PolarHBondContact O-N 2.66Å; K817-L821 PolarHBondContact O-N 3.31Å; K817-E893 IonicContact NZ-OE1 3.77Å; K817-E893 PolarHBondContact NZ-OE1 3.08Å; K817-E893 IonicContact NZ-OE2 3.11Å
818	I	64.5	Low	62.7	Low	96 Å²	96	91.2 Å²	91.2	49%	0.492	47%	0.47	S	S	.	.	H	α-helix	trans	-63.4	-45.1	174	-71.2	165.9	0	0	0	110.2	L814 Q815 L820 L821 T822	L814-I818 VanDerWaalsContact O-CG1 3.3Å; L814-I818 WeakPolarHBondContact O-CG1 3.45Å; L814-I818 PolarHBondContact O-N 3.41Å; Q815-I818 PolarHBondContact O-N 3.39Å; I818-L820 VanDerWaalsContact C-N 3.27Å; I818-L820 PolarHBondContact O-N 3.11Å; I818-L821 WeakPolarHBondContact O-CB 3.35Å; I818-L821 PolarHBondContact O-N 2.8Å; I818-T822 PolarHBondContact O-N 2.88Å; I818-T822 PolarHBondContact O-OG1 3.5Å
819	N	74	Confident	63.5	Low	82 Å²	82	91.9 Å²	91.9	44%	0.439	47%	0.472	S	S	.	.	H	α-helix	trans	-58.3	-40.5	178.1	-70.4	-18.9	0	0	0	112	Q815 N816 T822 L823	Q815-N819 PolarHBondContact O-N 2.83Å; Q815-N819 PolarHBondContact O-ND2 3.27Å; N816-N819 PolarHBondContact O-N 2.71Å; N819-T822 VanDerWaalsContact C-OG1 3.25Å; N819-T822 WeakPolarHBondContact CA-OG1 3.38Å; N819-T822 PolarHBondContact O-N 2.94Å; N819-T822 PolarHBondContact O-OG1 3.22Å; N819-L823 PolarHBondContact O-N 3.13Å
820	L	70	Confident	64.6	Low	90 Å²	90	92.8 Å²	92.8	47%	0.471	47%	0.467	S	S	.	.	H	α-helix	trans	-65.3	-39.3	174.4	-178.2	65.7	0	0	0	112.6	N816 K817 I818 L823 R824	N816-L820 PolarHBondContact O-N 3.47Å; K817-L820 PolarHBondContact O-N 2.66Å; I818-L820 VanDerWaalsContact C-N 3.27Å; I818-L820 PolarHBondContact O-N 3.11Å; L820-L823 PolarHBondContact O-N 2.92Å; L820-R824 PolarHBondContact O-N 2.93Å
821	L	61.2	Low	64.9	Low	84 Å²	84	90.6 Å²	90.6	44%	0.44	46%	0.455	S	S	.	.	H	α-helix	trans	-66.2	-41	175.5	-77.4	167.5	0	0	0	111.8	K817 I818 L823 R824 I825	K817-L821 PolarHBondContact O-N 3.31Å; I818-L821 WeakPolarHBondContact O-CB 3.35Å; I818-L821 PolarHBondContact O-N 2.8Å; L821-L823 VanDerWaalsContact C-N 3.29Å; L821-L823 PolarHBondContact O-N 3.19Å; L821-R824 PolarHBondContact O-N 3.35Å; L821-I825 WeakPolarHBondContact O-CG1 3.39Å; L821-I825 PolarHBondContact O-N 3.36Å
822	T	69.1	Low	65.7	Low	79 Å²	79	90.6 Å²	90.6	49%	0.485	46%	0.456	S	S	.	.	H	α-helix	trans	-59.7	-38.2	174.5	21.6	0	0	0	0	112.7	I818 N819 I825 S826	I818-T822 PolarHBondContact O-N 2.88Å; I818-T822 PolarHBondContact O-OG1 3.5Å; N819-T822 VanDerWaalsContact C-OG1 3.25Å; N819-T822 WeakPolarHBondContact CA-OG1 3.38Å; N819-T822 PolarHBondContact O-N 2.94Å; N819-T822 PolarHBondContact O-OG1 3.22Å; T822-I825 PolarHBondContact O-N 2.93Å; T822-S826 PolarHBondContact O-N 2.73Å; T822-S826 VanDerWaalsContact O-N 3.13Å
823	L	69.8	Low	66.4	Low	119 Å²	119	92.2 Å²	92.2	62%	0.623	46%	0.46	S	S	*	.	H	α-helix	trans	-62.8	-45.1	175.2	-79.5	165.4	0	0	0	111.7	N819 L820 L821 S826 D827	N819-L823 PolarHBondContact O-N 3.13Å; L820-L823 PolarHBondContact O-N 2.92Å; L821-L823 VanDerWaalsContact C-N 3.29Å; L821-L823 PolarHBondContact O-N 3.19Å; L823-S826 WeakPolarHBondContact O-CB 3.49Å; L823-S826 PolarHBondContact O-N 3.2Å; L823-D827 PolarHBondContact O-N 3.3Å
824	R	68.8	Low	66.8	Low	93 Å²	93	91.6 Å²	91.6	35%	0.351	46%	0.458	S	S	.	.	H	α-helix	trans	-68.2	-33.9	178.6	-84.6	168.4	167.5	159.7	-7.2	113.6	L820 L821 S826 D827 L828	L820-R824 PolarHBondContact O-N 2.93Å; L821-R824 PolarHBondContact O-N 3.35Å; R824-S826 VanDerWaalsContact C-N 3.3Å; R824-D827 PolarHBondContact O-N 2.92Å; R824-L828 PolarHBondContact O-N 3.07Å; R824-L828 VanDerWaalsContact O-N 3.14Å
825	I	62.6	Low	67	Low	90 Å²	90	88.2 Å²	88.2	46%	0.462	44%	0.441	S	S	.	.	H	α-helix	trans	-64.3	-39.6	173.5	-69.3	167.8	0	0	0	110.2	L821 T822 D827 L828 E829	L821-I825 WeakPolarHBondContact O-CG1 3.39Å; L821-I825 PolarHBondContact O-N 3.36Å; T822-I825 PolarHBondContact O-N 2.93Å; I825-D827 VanDerWaalsContact C-N 3.32Å; I825-D827 PolarHBondContact O-N 3.33Å; I825-L828 WeakPolarHBondContact O-CB 3.42Å; I825-L828 PolarHBondContact O-N 3.11Å; I825-L828 VanDerWaalsContact O-N 3.12Å; I825-E829 PolarHBondContact O-N 3.47Å
826	S	69	Low	66.9	Low	69 Å²	69	88.6 Å²	88.6	48%	0.483	44%	0.441	S	S	.	.	H	α-helix	trans	-63.5	-36.3	176.9	-160.1	0	0	0	0	112.5	T822 L823 R824 E829 R830	T822-S826 PolarHBondContact O-N 2.73Å; T822-S826 VanDerWaalsContact O-N 3.13Å; L823-S826 WeakPolarHBondContact O-CB 3.49Å; L823-S826 PolarHBondContact O-N 3.2Å; R824-S826 VanDerWaalsContact C-N 3.3Å; S826-E829 PolarHBondContact O-N 3.26Å; S826-R830 PolarHBondContact O-N 2.97Å
827	D	72.6	Confident	67	Low	73 Å²	73	87 Å²	87	39%	0.39	44%	0.438	S	S	.	.	H	α-helix	trans	-64.9	-38.4	171.8	-77.4	-44.7	0	0	0	112.5	L823 R824 I825 E829 R830 L831	L823-D827 PolarHBondContact O-N 3.3Å; R824-D827 PolarHBondContact O-N 2.92Å; I825-D827 VanDerWaalsContact C-N 3.32Å; I825-D827 PolarHBondContact O-N 3.33Å; D827-E829 VanDerWaalsContact C-N 3.34Å; D827-R830 PolarHBondContact O-N 3.12Å; D827-R830 IonicContact OD1-CZ 3.53Å; D827-R830 IonicContact OD1-NH1 2.67Å; D827-R830 IonicContact OD1-NH2 3.62Å; D827-R830 PolarHBondContact OD1-NH2 3.43Å; D827-L831 WeakPolarHBondContact O-CG 3.29Å; D827-L831 PolarHBondContact O-N 3.33Å; D827-L831 VanDerWaalsContact O-N 3.08Å
828	L	59.2	Low	66.8	Low	49 Å²	49	86.4 Å²	86.4	26%	0.257	44%	0.441	S	S	.	.	H	α-helix	trans	-64.7	-38.2	174.9	-74.8	169.8	0	0	0	111.9	R824 I825 L831 N832 F878 I885	R824-L828 PolarHBondContact O-N 3.07Å; R824-L828 VanDerWaalsContact O-N 3.14Å; I825-L828 WeakPolarHBondContact O-CB 3.42Å; I825-L828 PolarHBondContact O-N 3.11Å; I825-L828 VanDerWaalsContact O-N 3.12Å; L828-L831 PolarHBondContact O-N 2.92Å; L828-N832 WeakPolarHBondContact O-CB 3.47Å; L828-N832 PolarHBondContact O-N 3.4Å; L828-F878 HydrophobicContact CD2-CD1 4.3Å; L828-F878 HydrophobicContact CD2-CE1 4.2Å; L828-I885 HydrophobicContact CD1-CD1 4.32Å
829	E	64	Low	66.8	Low	120 Å²	120	87.1 Å²	87.1	56%	0.561	44%	0.441	S	S	*	.	H	α-helix	trans	-65.4	-42.7	175.3	-72.3	179	163.1	0	0	111.7	I825 S826 D827 L831 N832 E833	I825-E829 PolarHBondContact O-N 3.47Å; S826-E829 PolarHBondContact O-N 3.26Å; D827-E829 VanDerWaalsContact C-N 3.34Å; E829-L831 VanDerWaalsContact C-N 3.35Å; E829-L831 PolarHBondContact O-N 3.35Å; E829-N832 WeakPolarHBondContact O-CB 3.48Å; E829-N832 PolarHBondContact O-N 3.33Å; E829-E833 PolarHBondContact O-N 3.12Å
830	R	69.7	Low	66.6	Low	137 Å²	137	86.8 Å²	86.8	52%	0.517	44%	0.442	S	S	.	.	H	α-helix	trans	-59.2	-44.7	174.6	-174.9	179.6	66.7	-146.5	-16.9	111.7	S826 D827 N832 E833 E834	S826-R830 PolarHBondContact O-N 2.97Å; D827-R830 PolarHBondContact O-N 3.12Å; D827-R830 IonicContact OD1-CZ 3.53Å; D827-R830 IonicContact OD1-NH1 2.67Å; D827-R830 IonicContact OD1-NH2 3.62Å; D827-R830 PolarHBondContact OD1-NH2 3.43Å; R830-N832 VanDerWaalsContact C-N 3.3Å; R830-N832 PolarHBondContact O-N 3.19Å; R830-E833 PolarHBondContact O-N 3.33Å; R830-E834 PolarHBondContact O-N 3.22Å
831	L	60.9	Low	66.6	Low	42 Å²	42	89.5 Å²	89.5	22%	0.22	45%	0.447	C	S	.	.	H	α-helix	trans	-66.6	-32.8	177.6	-72	169	0	0	0	112.4	D827 L828 E829 E834 S835 F878	D827-L831 WeakPolarHBondContact O-CG 3.29Å; D827-L831 PolarHBondContact O-N 3.33Å; D827-L831 VanDerWaalsContact O-N 3.08Å; L828-L831 PolarHBondContact O-N 2.92Å; E829-L831 VanDerWaalsContact C-N 3.35Å; E829-L831 PolarHBondContact O-N 3.35Å; L831-E834 PolarHBondContact O-N 3.44Å; L831-S835 VanDerWaalsContact O-CB 3.32Å; L831-S835 WeakPolarHBondContact O-CB 3.44Å; L831-S835 PolarHBondContact O-N 3.3Å; L831-F878 HydrophobicContact CB-CZ 4.46Å
832	N	71	Confident	66.8	Low	75 Å²	75	86.8 Å²	86.8	40%	0.401	43%	0.432	S	S	.	.	H	α-helix	trans	-67.5	-36.1	172.8	-173.2	32.5	0	0	0	112	L828 E829 R830 S835 K836	L828-N832 WeakPolarHBondContact O-CB 3.47Å; L828-N832 PolarHBondContact O-N 3.4Å; E829-N832 WeakPolarHBondContact O-CB 3.48Å; E829-N832 PolarHBondContact O-N 3.33Å; R830-N832 VanDerWaalsContact C-N 3.3Å; R830-N832 PolarHBondContact O-N 3.19Å; N832-S835 WeakPolarHBondContact O-CB 3.08Å; N832-K836 WeakPolarHBondContact O-CG 3.38Å; N832-K836 PolarHBondContact O-N 3.34Å
833	E	69.8	Low	66.7	Low	140 Å²	140	88.5 Å²	88.5	65%	0.654	43%	0.433	S	S	*	.	H	α-helix	trans	-69.1	-41.4	171.5	-73	-162.7	158.4	0	0	112.7	E829 R830 S835 K836 S837	E829-E833 PolarHBondContact O-N 3.12Å; R830-E833 PolarHBondContact O-N 3.33Å; E833-S835 VanDerWaalsContact C-N 3.3Å; E833-S835 PolarHBondContact O-N 2.95Å; E833-K836 WeakPolarHBondContact O-CB 3.45Å; E833-K836 PolarHBondContact O-N 3.3Å; E833-S837 PolarHBondContact O-N 3.04Å
834	E	68.9	Low	66.7	Low	98 Å²	98	86.9 Å²	86.9	46%	0.458	43%	0.425	S	S	.	.	H	α-helix	trans	-58.8	-44.7	172.8	-74.2	177	-171	0	0	110.5	R830 L831 K836 S837 T838	R830-E834 PolarHBondContact O-N 3.22Å; L831-E834 PolarHBondContact O-N 3.44Å; E834-K836 PolarHBondContact O-N 2.89Å; E834-S837 WeakPolarHBondContact O-CB 3.45Å; E834-S837 PolarHBondContact O-N 3.11Å; E834-S837 VanDerWaalsContact O-N 3.13Å; E834-S837 PolarHBondContact O-OG 3.44Å; E834-T838 WeakPolarHBondContact O-CG2 3.48Å; E834-T838 PolarHBondContact O-N 2.94Å
835	S	60.2	Low	66.6	Low	20 Å²	20	85.3 Å²	85.3	14%	0.14	42%	0.422	C	S	.	.	H	α-helix	trans	-56.2	-49.2	172.3	172.6	0	0	0	0	112.7	L831 N832 E833 S837 T838 F839 L874	L831-S835 VanDerWaalsContact O-CB 3.32Å; L831-S835 WeakPolarHBondContact O-CB 3.44Å; L831-S835 PolarHBondContact O-N 3.3Å; N832-S835 WeakPolarHBondContact O-CB 3.08Å; E833-S835 VanDerWaalsContact C-N 3.3Å; E833-S835 PolarHBondContact O-N 2.95Å; S835-S837 VanDerWaalsContact C-N 3.27Å; S835-S837 PolarHBondContact O-N 2.85Å; S835-T838 PolarHBondContact O-N 3.45Å; S835-T838 PolarHBondContact O-OG1 3.45Å; S835-F839 PolarHBondContact O-N 2.88Å; S835-L874 WeakPolarHBondContact OG-CD2 3.43Å
836	K	62.1	Low	66.5	Low	125 Å²	125	83 Å²	83	54%	0.543	41%	0.41	S	S	.	.	H	α-helix	trans	-57.5	-41.6	175.2	-76.7	175.2	-177.4	174	0	111.7	N832 E833 E834 F839 T840	N832-K836 WeakPolarHBondContact O-CG 3.38Å; N832-K836 PolarHBondContact O-N 3.34Å; E833-K836 WeakPolarHBondContact O-CB 3.45Å; E833-K836 PolarHBondContact O-N 3.3Å; E834-K836 PolarHBondContact O-N 2.89Å; K836-F839 PolarHBondContact O-N 2.93Å; K836-T840 PolarHBondContact O-N 3.23Å; K836-T840 PolarHBondContact O-OG1 3.04Å
837	S	71.9	Confident	66.4	Low	65 Å²	65	85.9 Å²	85.9	46%	0.455	41%	0.414	S	S	.	.	H	α-helix	trans	-64.5	-41.6	179.4	80.9	0	0	0	0	112.1	E833 E834 S835 F839 T840 Y841	E833-S837 PolarHBondContact O-N 3.04Å; E834-S837 WeakPolarHBondContact O-CB 3.45Å; E834-S837 PolarHBondContact O-N 3.11Å; E834-S837 VanDerWaalsContact O-N 3.13Å; E834-S837 PolarHBondContact O-OG 3.44Å; S835-S837 VanDerWaalsContact C-N 3.27Å; S835-S837 PolarHBondContact O-N 2.85Å; S837-F839 VanDerWaalsContact C-N 3.33Å; S837-F839 PolarHBondContact O-N 3.11Å; S837-T840 VanDerWaalsContact CA-OG1 3.31Å; S837-T840 WeakPolarHBondContact CA-OG1 3.37Å; S837-T840 PolarHBondContact O-N 2.94Å; S837-T840 PolarHBondContact O-OG1 3.48Å; S837-Y841 WeakPolarHBondContact O-CB 3.33Å; S837-Y841 PolarHBondContact O-N 3.41Å
838	T	64.7	Low	66.1	Low	69 Å²	69	88 Å²	88	42%	0.423	42%	0.42	S	S	.	.	H	α-helix	trans	-64.5	-38.6	174.8	61.8	0	0	0	0	111.4	E834 S835 Y841 I842	E834-T838 WeakPolarHBondContact O-CG2 3.48Å; E834-T838 PolarHBondContact O-N 2.94Å; S835-T838 PolarHBondContact O-N 3.45Å; S835-T838 PolarHBondContact O-OG1 3.45Å; T838-Y841 PolarHBondContact O-N 2.92Å; T838-I842 VanDerWaalsContact O-CG1 3.24Å; T838-I842 WeakPolarHBondContact O-CG1 3.26Å; T838-I842 PolarHBondContact O-N 2.87Å
839	F	63.6	Low	66.2	Low	110 Å²	110	87.7 Å²	87.7	48%	0.482	42%	0.421	S	S	.	.	H	α-helix	trans	-65.3	-42.1	175.5	-173.7	-97.9	0	0	0	112.1	S835 K836 S837 Y841 I842 K843	S835-F839 PolarHBondContact O-N 2.88Å; K836-F839 PolarHBondContact O-N 2.93Å; S837-F839 VanDerWaalsContact C-N 3.33Å; S837-F839 PolarHBondContact O-N 3.11Å; F839-Y841 VanDerWaalsContact C-N 3.33Å; F839-I842 PolarHBondContact O-N 3.39Å; F839-K843 WeakPolarHBondContact O-CB 3.34Å; F839-K843 PolarHBondContact O-N 3.21Å
840	T	68.9	Low	66.1	Low	76 Å²	76	85.8 Å²	85.8	47%	0.466	42%	0.421	S	S	.	.	H	α-helix	trans	-64	-38.9	174.6	47.5	0	0	0	0	112.2	K836 S837 K843 D844	K836-T840 PolarHBondContact O-N 3.23Å; K836-T840 PolarHBondContact O-OG1 3.04Å; S837-T840 VanDerWaalsContact CA-OG1 3.31Å; S837-T840 WeakPolarHBondContact CA-OG1 3.37Å; S837-T840 PolarHBondContact O-N 2.94Å; S837-T840 PolarHBondContact O-OG1 3.48Å; T840-K843 PolarHBondContact O-N 3.44Å; T840-D844 PolarHBondContact O-N 3.3Å
841	Y	70.4	Confident	65.5	Low	147 Å²	147	88.5 Å²	88.5	58%	0.576	43%	0.431	S	S	*	.	H	α-helix	trans	-63.2	-45.9	175.4	177.4	-104.6	0	0	0	111.8	S837 T838 F839 K843 D844 E845	S837-Y841 WeakPolarHBondContact O-CB 3.33Å; S837-Y841 PolarHBondContact O-N 3.41Å; T838-Y841 PolarHBondContact O-N 2.92Å; F839-Y841 VanDerWaalsContact C-N 3.33Å; Y841-K843 VanDerWaalsContact C-N 3.33Å; Y841-K843 PolarHBondContact O-N 2.02Å; Y841-D844 PolarHBondContact O-N 3.46Å; Y841-E845 HydrophobicContact CE1-CG 4.04Å; Y841-E845 HydrophobicContact CE2-CG 4.28Å; Y841-E845 PolarHBondContact O-N 3.13Å
842	I	65.1	Low	65.3	Low	26 Å²	26	91.9 Å²	91.9	13%	0.133	45%	0.45	C	S	.	.	H	α-helix	trans	-62.7	-40.8	176.1	-66.1	164.6	0	0	0	110.9	T838 F839 D844 E845 L846 M867 A870	T838-I842 VanDerWaalsContact O-CG1 3.24Å; T838-I842 WeakPolarHBondContact O-CG1 3.26Å; T838-I842 PolarHBondContact O-N 2.87Å; F839-I842 PolarHBondContact O-N 3.39Å; I842-D844 VanDerWaalsContact C-N 3.28Å; I842-D844 PolarHBondContact O-N 2.92Å; I842-E845 PolarHBondContact O-N 3.36Å; I842-L846 PolarHBondContact O-N 3.2Å; I842-M867 HydrophobicContact CG2-CB 4.42Å; I842-M867 HydrophobicContact CG2-CE 3.86Å; I842-M867 HydrophobicContact CG2-CG 4.22Å; I842-A870 HydrophobicContact CD1-CB 3.81Å
843	K	67.9	Low	64.8	Low	115 Å²	115	95.5 Å²	95.5	50%	0.5	46%	0.464	S	S	.	.	H	α-helix	trans	-61.3	-37.8	175.7	-175.9	179.1	179.9	177.3	0	111.9	F839 T840 Y841 L846 K847	F839-K843 WeakPolarHBondContact O-CB 3.34Å; F839-K843 PolarHBondContact O-N 3.21Å; T840-K843 PolarHBondContact O-N 3.44Å; Y841-K843 VanDerWaalsContact C-N 3.33Å; Y841-K843 PolarHBondContact O-N 2.02Å; K843-L846 WeakPolarHBondContact O-CB 3.36Å; K843-K847 PolarHBondContact O-N 2.95Å; K843-K847 VanDerWaalsContact O-N 3.16Å
844	D	69.3	Low	64.2	Low	85 Å²	85	98 Å²	98	46%	0.455	48%	0.476	S	S	.	.	H	α-helix	trans	-74.6	-35.5	176.8	-81.5	-11	0	0	0	112.6	T840 Y841 I842 K847 K848	T840-D844 PolarHBondContact O-N 3.3Å; Y841-D844 PolarHBondContact O-N 3.46Å; I842-D844 VanDerWaalsContact C-N 3.28Å; I842-D844 PolarHBondContact O-N 2.92Å; D844-K847 WeakPolarHBondContact O-CB 3.28Å; D844-K847 PolarHBondContact O-N 2.94Å; D844-K848 PolarHBondContact O-N 2.91Å; D844-K848 VanDerWaalsContact O-N 3.1Å
845	E	66.9	Low	63.5	Low	60 Å²	60	98.2 Å²	98.2	28%	0.28	48%	0.479	S	S	.	.	H	α-helix	trans	-64.1	-39.4	170.6	-75.5	-56.4	142.8	0	0	111.9	Y841 I842 K847 K848 C849	Y841-E845 HydrophobicContact CE1-CG 4.04Å; Y841-E845 HydrophobicContact CE2-CG 4.28Å; Y841-E845 PolarHBondContact O-N 3.13Å; I842-E845 PolarHBondContact O-N 3.36Å; E845-K847 VanDerWaalsContact C-N 3.3Å; E845-K847 PolarHBondContact O-N 3.46Å; E845-K848 WeakPolarHBondContact O-CB 3.29Å; E845-K848 PolarHBondContact O-N 2.68Å; E845-K848 IonicContact OE1-NZ 3.18Å; E845-K848 PolarHBondContact OE1-NZ 2.84Å; E845-K848 IonicContact OE2-NZ 3.97Å; E845-C849 PolarHBondContact O-N 3.14Å; E845-C849 VanDerWaalsContact O-N 3.11Å
846	L	61.7	Low	63.5	Low	42 Å²	42	101.5 Å²	101.5	22%	0.22	49%	0.491	C	S	.	.	H	α-helix	trans	-58.6	-40.9	171.2	-90.8	173.1	0	0	0	112.7	I842 K843 K848 C849 S850 A863 M867	I842-L846 PolarHBondContact O-N 3.2Å; K843-L846 WeakPolarHBondContact O-CB 3.36Å; L846-K848 VanDerWaalsContact C-N 3.29Å; L846-K848 PolarHBondContact O-N 3.01Å; L846-C849 PolarHBondContact O-N 3.14Å; L846-S850 PolarHBondContact O-N 2.79Å; L846-A863 HydrophobicContact CD2-CB 3.32Å; L846-A863 HydrophobicContact CG-CB 3.94Å; L846-M867 HydrophobicContact CD1-CE 3.19Å; L846-M867 HydrophobicContact CG-CE 4.32Å
847	K	65.5	Low	63.6	Low	130 Å²	130	103 Å²	103	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-63.9	-34.2	175.1	-85.6	-179.5	176.5	174.7	0	112.4	K843 D844 E845 S850	K843-K847 PolarHBondContact O-N 2.95Å; K843-K847 VanDerWaalsContact O-N 3.16Å; D844-K847 WeakPolarHBondContact O-CB 3.28Å; D844-K847 PolarHBondContact O-N 2.94Å; E845-K847 VanDerWaalsContact C-N 3.3Å; E845-K847 PolarHBondContact O-N 3.46Å; K847-S850 PolarHBondContact O-N 2.91Å
848	K	67.1	Low	63.4	Low	118 Å²	118	105.8 Å²	105.8	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-66.5	-40.5	175.9	-70.5	178.2	-171.7	167.4	0	111.1	D844 E845 L846 S850 R851	D844-K848 PolarHBondContact O-N 2.91Å; D844-K848 VanDerWaalsContact O-N 3.1Å; E845-K848 WeakPolarHBondContact O-CB 3.29Å; E845-K848 PolarHBondContact O-N 2.68Å; E845-K848 IonicContact OE1-NZ 3.18Å; E845-K848 PolarHBondContact OE1-NZ 2.84Å; E845-K848 IonicContact OE2-NZ 3.97Å; L846-K848 VanDerWaalsContact C-N 3.29Å; L846-K848 PolarHBondContact O-N 3.01Å; K848-S850 PolarHBondContact O-N 3Å; K848-R851 PolarHBondContact O-N 3.09Å
849	C	61.7	Low	63.5	Low	41 Å²	41	103.6 Å²	103.6	28%	0.277	49%	0.494	S	S	.	.	H	α-helix	trans	-66.1	-17.5	178	-81	0	0	0	0	115.3	E845 L846 R851 C859	E845-C849 PolarHBondContact O-N 3.14Å; E845-C849 VanDerWaalsContact O-N 3.11Å; L846-C849 PolarHBondContact O-N 3.14Å; C849-R851 PolarHBondContact O-N 2.99Å; C849-C859 HydrophobicContact CB-CB 3.63Å; C849-C859 WeakPolarHBondContact CB-SG 3.29Å; C849-C859 WeakPolarHBondContact SG-CB 3.12Å; C849-C859 CovalentContact SG-SG 1.99Å; C849-C859 PolarHBondContact SG-SG 3.42Å
850	S	60.3	Low	63.6	Low	81 Å²	81	103.3 Å²	103.3	57%	0.566	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	2	177.2	-161.1	0	0	0	0	114.3	L846 K847 K848	L846-S850 PolarHBondContact O-N 2.79Å; K847-S850 PolarHBondContact O-N 2.91Å; K848-S850 PolarHBondContact O-N 3Å
851	R	58.5	Low	63.6	Low	193 Å²	193	103.9 Å²	103.9	73%	0.728	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-27.7	-177.4	-78.8	-171.7	175.7	92.4	-2.2	115.6	K848 C849	K848-R851 PolarHBondContact O-N 3.09Å; C849-R851 PolarHBondContact O-N 2.99Å
852	D	56.6	Low	63.6	Low	113 Å²	113	98.9 Å²	98.9	60%	0.604	48%	0.483	S	S	*	.			trans	-108.9	110.2	-179.5	-69.9	-33.1	0	0	0	110.4	E854 I855	D852-E854 PolarHBondContact O-N 3.09Å; D852-I855 PolarHBondContact O-N 2.74Å
853	E	60.1	Low	63.8	Low	152 Å²	152	98.2 Å²	98.2	71%	0.71	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.6	-174.4	-80.7	-98.7	120.4	0	0	113.5	K856	E853-K856 WeakPolarHBondContact O-CB 3.27Å; E853-K856 IonicContact OE1-NZ 3.93Å; E853-K856 PolarHBondContact OE1-NZ 2.81Å
854	E	58	Low	63.6	Low	193 Å²	193	96.5 Å²	96.5	90%	0.902	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-22.2	-172.3	-147.6	166.7	-163	0	0	113.4	D852	D852-E854 PolarHBondContact O-N 3.09Å
855	I	54.1	Low	63.9	Low	101 Å²	101	99.2 Å²	99.2	52%	0.518	49%	0.487	S	S	.	.	S	Bend	trans	-101.8	5.5	179.3	-48.1	176.4	0	0	0	110.8	D852 K857 D858 C859	D852-I855 PolarHBondContact O-N 2.74Å; I855-K857 VanDerWaalsContact C-N 3.26Å; I855-K857 PolarHBondContact O-N 2.75Å; I855-K857 VanDerWaalsContact O-N 3.12Å; I855-D858 PolarHBondContact O-N 2.72Å; I855-C859 HydrophobicContact CG2-CB 4.16Å; I855-C859 WeakPolarHBondContact O-CB 3.27Å; I855-C859 PolarHBondContact O-N 2.98Å
856	K	59.8	Low	64.1	Low	89 Å²	89	102.5 Å²	102.5	39%	0.387	50%	0.503	S	S	.	.	H	α-helix	trans	-60	-32	-167.9	-152.8	176.7	-162.9	170	0	113.8	E853 H860	E853-K856 WeakPolarHBondContact O-CB 3.27Å; E853-K856 IonicContact OE1-NZ 3.93Å; E853-K856 PolarHBondContact OE1-NZ 2.81Å; K856-H860 WeakPolarHBondContact O-CB 3.43Å; K856-H860 PolarHBondContact O-N 3.38Å
857	K	64.1	Low	64.4	Low	158 Å²	158	102.5 Å²	102.5	69%	0.687	50%	0.502	S	S	*	.	H	α-helix	trans	-82.9	-51.2	179.4	-162.9	175.1	-178.4	175.8	0	111.9	I855 C859 H860 D861	I855-K857 VanDerWaalsContact C-N 3.26Å; I855-K857 PolarHBondContact O-N 2.75Å; I855-K857 VanDerWaalsContact O-N 3.12Å; K857-C859 VanDerWaalsContact C-N 3.33Å; K857-C859 PolarHBondContact O-N 2.86Å; K857-H860 PolarHBondContact O-N 2.88Å; K857-H860 VanDerWaalsContact O-N 3.13Å; K857-D861 PolarHBondContact O-N 2.84Å
858	D	67.6	Low	64.6	Low	122 Å²	122	100.7 Å²	100.7	65%	0.652	50%	0.499	S	S	*	.	H	α-helix	trans	-64.8	-37.2	-179.5	-68.2	-5.4	0	0	0	111.8	I855 A862	I855-D858 PolarHBondContact O-N 2.72Å; D858-A862 WeakPolarHBondContact O-CB 3.44Å; D858-A862 PolarHBondContact O-N 2.93Å
859	C	66.3	Low	65	Low	23 Å²	23	101.7 Å²	101.7	16%	0.155	50%	0.503	C	S	.	.	H	α-helix	trans	-72.2	-36.6	173	-171.3	0	0	0	0	112.5	C849 I855 K857 D861 A862 A863	C849-C859 HydrophobicContact CB-CB 3.63Å; C849-C859 WeakPolarHBondContact CB-SG 3.29Å; C849-C859 WeakPolarHBondContact SG-CB 3.12Å; C849-C859 CovalentContact SG-SG 1.99Å; C849-C859 PolarHBondContact SG-SG 3.42Å; I855-C859 HydrophobicContact CG2-CB 4.16Å; I855-C859 WeakPolarHBondContact O-CB 3.27Å; I855-C859 PolarHBondContact O-N 2.98Å; K857-C859 VanDerWaalsContact C-N 3.33Å; K857-C859 PolarHBondContact O-N 2.86Å; C859-D861 VanDerWaalsContact C-N 3.32Å; C859-D861 PolarHBondContact O-N 2.88Å; C859-A862 PolarHBondContact O-N 3.1Å; C859-A863 WeakPolarHBondContact O-CB 3.44Å; C859-A863 PolarHBondContact O-N 3.29Å
860	H	65.9	Low	65.3	Low	104 Å²	104	101.2 Å²	101.2	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-45	175.5	-117.7	-67.6	0	0	0	111.1	K856 K857 A863 I864	K856-H860 WeakPolarHBondContact O-CB 3.43Å; K856-H860 PolarHBondContact O-N 3.38Å; K857-H860 PolarHBondContact O-N 2.88Å; K857-H860 VanDerWaalsContact O-N 3.13Å; H860-A863 PolarHBondContact O-N 3.34Å; H860-I864 WeakPolarHBondContact O-CB 3.27Å; H860-I864 WeakPolarHBondContact O-CD1 3.44Å; H860-I864 WeakPolarHBondContact O-CG1 3.43Å; H860-I864 PolarHBondContact O-N 2.9Å
861	D	69.2	Low	65.4	Low	88 Å²	88	101.7 Å²	101.7	47%	0.471	50%	0.497	S	S	.	.	H	α-helix	trans	-67.5	-43.9	-179.9	-69.1	-20.9	0	0	0	110.8	K857 C859 A863 I864 E865	K857-D861 PolarHBondContact O-N 2.84Å; C859-D861 VanDerWaalsContact C-N 3.32Å; C859-D861 PolarHBondContact O-N 2.88Å; D861-A863 PolarHBondContact O-N 3.06Å; D861-I864 PolarHBondContact O-N 3.44Å; D861-E865 WeakPolarHBondContact O-CB 3.37Å; D861-E865 PolarHBondContact O-N 2.93Å
862	A	70.5	Confident	66	Low	42 Å²	42	95.8 Å²	95.8	35%	0.347	48%	0.483	S	S	.	.	H	α-helix	trans	-64.1	-37.5	174.6	0	0	0	0	0	112.7	D858 C859 E865 Q866	D858-A862 WeakPolarHBondContact O-CB 3.44Å; D858-A862 PolarHBondContact O-N 2.93Å; C859-A862 PolarHBondContact O-N 3.1Å; A862-E865 PolarHBondContact O-N 3.31Å; A862-Q866 WeakPolarHBondContact O-CB 3.37Å; A862-Q866 WeakPolarHBondContact O-CG 3.49Å; A862-Q866 PolarHBondContact O-N 3.17Å
863	A	68.9	Low	67.1	Low	12 Å²	12	94.4 Å²	94.4	10%	0.099	48%	0.476	C	S	.	.	H	α-helix	trans	-70.7	-38.1	176.9	0	0	0	0	0	111.5	L846 C859 H860 D861 M867	L846-A863 HydrophobicContact CD2-CB 3.32Å; L846-A863 HydrophobicContact CG-CB 3.94Å; C859-A863 WeakPolarHBondContact O-CB 3.44Å; C859-A863 PolarHBondContact O-N 3.29Å; H860-A863 PolarHBondContact O-N 3.34Å; D861-A863 PolarHBondContact O-N 3.06Å; A863-M867 WeakPolarHBondContact O-CB 3.21Å; A863-M867 PolarHBondContact O-N 3.06Å
864	I	64.7	Low	67.6	Low	79 Å²	79	90 Å²	90	41%	0.405	46%	0.457	S	S	.	.	H	α-helix	trans	-64.5	-43.7	172.7	-71	164.1	0	0	0	110.1	H860 D861 M867 N868	H860-I864 WeakPolarHBondContact O-CB 3.27Å; H860-I864 WeakPolarHBondContact O-CD1 3.44Å; H860-I864 WeakPolarHBondContact O-CG1 3.43Å; H860-I864 PolarHBondContact O-N 2.9Å; D861-I864 PolarHBondContact O-N 3.44Å; I864-M867 PolarHBondContact O-N 2.94Å; I864-N868 WeakPolarHBondContact O-CB 3.1Å; I864-N868 VanDerWaalsContact O-CG 3.3Å; I864-N868 PolarHBondContact O-N 2.93Å; I864-N868 PolarHBondContact O-ND2 3.4Å
865	E	74.7	Confident	68	Low	142 Å²	142	83.9 Å²	83.9	66%	0.664	44%	0.435	S	S	*	.	H	α-helix	trans	-62.8	-46.8	177.6	-169.5	-179.1	-175.5	0	0	111.5	D861 A862 M867 N868 F869	D861-E865 WeakPolarHBondContact O-CB 3.37Å; D861-E865 PolarHBondContact O-N 2.93Å; A862-E865 PolarHBondContact O-N 3.31Å; E865-M867 VanDerWaalsContact C-N 3.3Å; E865-M867 PolarHBondContact O-N 2.97Å; E865-N868 PolarHBondContact O-N 2.9Å; E865-F869 WeakPolarHBondContact O-CB 2.97Å; E865-F869 PolarHBondContact O-N 3.38Å
866	Q	71	Confident	68.7	Low	130 Å²	130	84.8 Å²	84.8	61%	0.607	44%	0.437	S	S	*	.	H	α-helix	trans	-62.3	-37.9	174.6	-76.2	-171.5	7.4	0	0	112.3	A862 F869 A870	A862-Q866 WeakPolarHBondContact O-CB 3.37Å; A862-Q866 WeakPolarHBondContact O-CG 3.49Å; A862-Q866 PolarHBondContact O-N 3.17Å; Q866-F869 PolarHBondContact O-N 2.92Å; Q866-A870 VanDerWaalsContact O-CB 3.31Å; Q866-A870 WeakPolarHBondContact O-CB 3.44Å; Q866-A870 PolarHBondContact O-N 3.39Å
867	M	67.9	Low	69.3	Low	42 Å²	42	83 Å²	83	21%	0.207	44%	0.435	C	S	.	.	H	α-helix	trans	-67.5	-43.1	177.9	-158.6	-174.3	-66.1	0	0	111	I842 L846 A863 I864 E865 A870 I871	I842-M867 HydrophobicContact CG2-CB 4.42Å; I842-M867 HydrophobicContact CG2-CE 3.86Å; I842-M867 HydrophobicContact CG2-CG 4.22Å; L846-M867 HydrophobicContact CD1-CE 3.19Å; L846-M867 HydrophobicContact CG-CE 4.32Å; A863-M867 WeakPolarHBondContact O-CB 3.21Å; A863-M867 PolarHBondContact O-N 3.06Å; I864-M867 PolarHBondContact O-N 2.94Å; E865-M867 VanDerWaalsContact C-N 3.3Å; E865-M867 PolarHBondContact O-N 2.97Å; M867-A870 PolarHBondContact O-N 3.19Å; M867-I871 HydrophobicContact CG-CD1 4.08Å; M867-I871 WeakPolarHBondContact O-CB 3.48Å; M867-I871 WeakPolarHBondContact O-CD1 3.48Å; M867-I871 WeakPolarHBondContact O-CG1 3.31Å; M867-I871 PolarHBondContact O-N 2.88Å
868	N	70.4	Confident	69.2	Low	92 Å²	92	77.7 Å²	77.7	49%	0.492	41%	0.413	S	S	.	.	H	α-helix	trans	-64.2	-40.5	174.4	-73.6	-28.5	0	0	0	111.5	I864 E865 T872	I864-N868 WeakPolarHBondContact O-CB 3.1Å; I864-N868 VanDerWaalsContact O-CG 3.3Å; I864-N868 PolarHBondContact O-N 2.93Å; I864-N868 PolarHBondContact O-ND2 3.4Å; E865-N868 PolarHBondContact O-N 2.9Å; N868-T872 VanDerWaalsContact O-CB 3.31Å; N868-T872 WeakPolarHBondContact O-CB 3.35Å; N868-T872 WeakPolarHBondContact O-CG2 3.46Å; N868-T872 PolarHBondContact O-N 3.45Å; N868-T872 PolarHBondContact O-OG1 2.91Å
869	F	75.3	Confident	69	Low	139 Å²	139	75 Å²	75	61%	0.61	40%	0.403	S	S	*	.	H	α-helix	trans	-63.8	-45.5	175	-177.4	-97.6	0	0	0	111.9	E865 Q866 T872 N873	E865-F869 WeakPolarHBondContact O-CB 2.97Å; E865-F869 PolarHBondContact O-N 3.38Å; Q866-F869 PolarHBondContact O-N 2.92Å; F869-T872 WeakPolarHBondContact CA-OG1 3.38Å; F869-T872 PolarHBondContact O-N 3.48Å; F869-T872 PolarHBondContact O-OG1 3.06Å; F869-N873 VanDerWaalsContact O-CB 3.24Å; F869-N873 WeakPolarHBondContact O-CB 3.37Å; F869-N873 PolarHBondContact O-N 2.82Å
870	A	67.6	Low	69.2	Low	31 Å²	31	77.7 Å²	77.7	26%	0.256	42%	0.419	S	S	.	.	H	α-helix	trans	-63.5	-44.8	177.5	0	0	0	0	0	111.7	I842 Q866 M867 L874	I842-A870 HydrophobicContact CD1-CB 3.81Å; Q866-A870 VanDerWaalsContact O-CB 3.31Å; Q866-A870 WeakPolarHBondContact O-CB 3.44Å; Q866-A870 PolarHBondContact O-N 3.39Å; M867-A870 PolarHBondContact O-N 3.19Å; A870-L874 WeakPolarHBondContact O-CB 3.47Å; A870-L874 PolarHBondContact O-N 3.44Å
871	I	63	Low	69.1	Low	90 Å²	90	75.7 Å²	75.7	46%	0.462	41%	0.41	S	S	.	.	H	α-helix	trans	-63.3	-45.8	177.2	-70	166.9	0	0	0	110.6	M867 L874 S875	M867-I871 HydrophobicContact CG-CD1 4.08Å; M867-I871 WeakPolarHBondContact O-CB 3.48Å; M867-I871 WeakPolarHBondContact O-CD1 3.48Å; M867-I871 WeakPolarHBondContact O-CG1 3.31Å; M867-I871 PolarHBondContact O-N 2.88Å; I871-L874 PolarHBondContact O-N 3.47Å; I871-S875 WeakPolarHBondContact O-CB 3.38Å; I871-S875 PolarHBondContact O-N 2.85Å; I871-S875 PolarHBondContact O-OG 3.28Å
872	T	70.9	Confident	68.8	Low	69 Å²	69	76 Å²	76	42%	0.423	41%	0.41	S	S	.	.	H	α-helix	trans	-65.9	-45.9	-179.6	49.7	0	0	0	0	111.4	N868 F869 S875 Q876	N868-T872 VanDerWaalsContact O-CB 3.31Å; N868-T872 WeakPolarHBondContact O-CB 3.35Å; N868-T872 WeakPolarHBondContact O-CG2 3.46Å; N868-T872 PolarHBondContact O-N 3.45Å; N868-T872 PolarHBondContact O-OG1 2.91Å; F869-T872 WeakPolarHBondContact CA-OG1 3.38Å; F869-T872 PolarHBondContact O-N 3.48Å; F869-T872 PolarHBondContact O-OG1 3.06Å; T872-S875 WeakPolarHBondContact CA-OG 3.28Å; T872-S875 PolarHBondContact O-N 3.4Å; T872-S875 PolarHBondContact O-OG 2.99Å; T872-Q876 WeakPolarHBondContact O-CB 3.46Å; T872-Q876 WeakPolarHBondContact O-CG 3.28Å; T872-Q876 PolarHBondContact O-N 2.73Å
873	N	78.4	Confident	68.6	Low	85 Å²	85	80.1 Å²	80.1	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-63.3	-43.6	176.9	-169	14.5	0	0	0	111.9	F869 Q876 S877	F869-N873 VanDerWaalsContact O-CB 3.24Å; F869-N873 WeakPolarHBondContact O-CB 3.37Å; F869-N873 PolarHBondContact O-N 2.82Å; N873-Q876 PolarHBondContact O-N 2.87Å; N873-S877 WeakPolarHBondContact O-CB 3.41Å; N873-S877 PolarHBondContact O-N 2.74Å
874	L	70.2	Confident	68.4	Low	60 Å²	60	85.5 Å²	85.5	31%	0.314	44%	0.444	S	S	.	.	H	α-helix	trans	-63	-45.4	175.1	-179.1	73.9	0	0	0	111.6	S835 A870 I871 Q876 S877 F878	S835-L874 WeakPolarHBondContact OG-CD2 3.43Å; A870-L874 WeakPolarHBondContact O-CB 3.47Å; A870-L874 PolarHBondContact O-N 3.44Å; I871-L874 PolarHBondContact O-N 3.47Å; L874-Q876 VanDerWaalsContact C-N 3.25Å; L874-Q876 PolarHBondContact O-N 3.04Å; L874-S877 PolarHBondContact O-N 3.06Å; L874-F878 HydrophobicContact CD1-CD2 3.92Å; L874-F878 HydrophobicContact CD1-CE2 3.6Å; L874-F878 HydrophobicContact CD2-CD2 4.47Å; L874-F878 HydrophobicContact CD2-CE2 4.16Å; L874-F878 HydrophobicContact CG-CD2 3.78Å; L874-F878 HydrophobicContact CG-CE2 3.76Å; L874-F878 WeakPolarHBondContact O-CD2 3.48Å; L874-F878 PolarHBondContact O-N 3.28Å
875	S	67.3	Low	68.2	Low	63 Å²	63	83.8 Å²	83.8	44%	0.441	44%	0.435	S	S	.	.	H	α-helix	trans	-61.8	-37.6	176.8	77.1	0	0	0	0	111.2	I871 T872 S879	I871-S875 WeakPolarHBondContact O-CB 3.38Å; I871-S875 PolarHBondContact O-N 2.85Å; I871-S875 PolarHBondContact O-OG 3.28Å; T872-S875 WeakPolarHBondContact CA-OG 3.28Å; T872-S875 PolarHBondContact O-N 3.4Å; T872-S875 PolarHBondContact O-OG 2.99Å; S875-S879 VanDerWaalsContact O-CB 3.25Å; S875-S879 WeakPolarHBondContact O-CB 3.24Å; S875-S879 PolarHBondContact O-N 3.02Å; S875-S879 PolarHBondContact O-OG 3Å
876	Q	68.1	Low	67.4	Low	121 Å²	121	79.9 Å²	79.9	57%	0.565	42%	0.421	S	S	*	.	H	α-helix	trans	-66.9	-48.1	174.8	-80.9	179	-13.4	0	0	110.8	T872 N873 L874 F878 S879 T880	T872-Q876 WeakPolarHBondContact O-CB 3.46Å; T872-Q876 WeakPolarHBondContact O-CG 3.28Å; T872-Q876 PolarHBondContact O-N 2.73Å; N873-Q876 PolarHBondContact O-N 2.87Å; L874-Q876 VanDerWaalsContact C-N 3.25Å; L874-Q876 PolarHBondContact O-N 3.04Å; Q876-F878 VanDerWaalsContact C-N 3.34Å; Q876-F878 PolarHBondContact O-N 3.25Å; Q876-S879 WeakPolarHBondContact CA-OG 3.49Å; Q876-S879 CarbonylContact O-C 3.56Å; Q876-S879 PolarHBondContact O-N 2.88Å; Q876-S879 VanDerWaalsContact O-N 3.08Å; Q876-S879 PolarHBondContact O-OG 3.38Å; Q876-T880 WeakPolarHBondContact O-CG2 3.46Å; Q876-T880 PolarHBondContact O-N 2.87Å; Q876-T880 PolarHBondContact O-OG1 3.28Å; Q876-T880 VanDerWaalsContact O-OG1 3.09Å
877	S	73.8	Confident	66.8	Low	50 Å²	50	78.1 Å²	78.1	35%	0.35	41%	0.412	S	S	.	.	H	α-helix	trans	-59.2	-42	176.8	-173.3	0	0	0	0	112.5	N873 L874 T880 Q881	N873-S877 WeakPolarHBondContact O-CB 3.41Å; N873-S877 PolarHBondContact O-N 2.74Å; L874-S877 PolarHBondContact O-N 3.06Å; S877-T880 WeakPolarHBondContact CA-OG1 3.3Å; S877-T880 PolarHBondContact O-OG1 2.78Å; S877-Q881 PolarHBondContact O-N 3.26Å; S877-Q881 VanDerWaalsContact O-N 3.11Å
878	F	61.9	Low	66.1	Low	48 Å²	48	81.7 Å²	81.7	21%	0.211	43%	0.428	C	S	.	.	H	α-helix	trans	-65.7	-43.9	172.8	-86.9	-62.1	0	0	0	111.2	L828 L831 L874 Q876 T880 Q881 I882	L828-F878 HydrophobicContact CD2-CD1 4.3Å; L828-F878 HydrophobicContact CD2-CE1 4.2Å; L831-F878 HydrophobicContact CB-CZ 4.46Å; L874-F878 HydrophobicContact CD1-CD2 3.92Å; L874-F878 HydrophobicContact CD1-CE2 3.6Å; L874-F878 HydrophobicContact CD2-CD2 4.47Å; L874-F878 HydrophobicContact CD2-CE2 4.16Å; L874-F878 HydrophobicContact CG-CD2 3.78Å; L874-F878 HydrophobicContact CG-CE2 3.76Å; L874-F878 WeakPolarHBondContact O-CD2 3.48Å; L874-F878 PolarHBondContact O-N 3.28Å; Q876-F878 VanDerWaalsContact C-N 3.34Å; Q876-F878 PolarHBondContact O-N 3.25Å; F878-T880 VanDerWaalsContact C-N 3.33Å; F878-T880 PolarHBondContact O-N 3.4Å; F878-Q881 PolarHBondContact O-N 2.78Å; F878-I882 WeakPolarHBondContact O-CB 3.2Å; F878-I882 WeakPolarHBondContact O-CD1 3.41Å; F878-I882 WeakPolarHBondContact O-CG1 3.19Å; F878-I882 PolarHBondContact O-N 2.87Å
879	S	62.4	Low	65.4	Low	64 Å²	64	79.3 Å²	79.3	45%	0.448	42%	0.418	S	S	.	.	H	α-helix	trans	-63.7	-38.2	179.6	79.2	0	0	0	0	112.5	S875 Q876 K883	S875-S879 VanDerWaalsContact O-CB 3.25Å; S875-S879 WeakPolarHBondContact O-CB 3.24Å; S875-S879 PolarHBondContact O-N 3.02Å; S875-S879 PolarHBondContact O-OG 3Å; Q876-S879 WeakPolarHBondContact CA-OG 3.49Å; Q876-S879 CarbonylContact O-C 3.56Å; Q876-S879 PolarHBondContact O-N 2.88Å; Q876-S879 VanDerWaalsContact O-N 3.08Å; Q876-S879 PolarHBondContact O-OG 3.38Å; S879-K883 WeakPolarHBondContact O-CB 3.19Å; S879-K883 PolarHBondContact O-N 3.06Å
880	T	70.4	Confident	64.4	Low	81 Å²	81	75.9 Å²	75.9	50%	0.497	41%	0.405	S	S	.	.	H	α-helix	trans	-70.4	-43.9	179.5	50.3	0	0	0	0	110.8	Q876 S877 F878 K883 E884	Q876-T880 WeakPolarHBondContact O-CG2 3.46Å; Q876-T880 PolarHBondContact O-N 2.87Å; Q876-T880 PolarHBondContact O-OG1 3.28Å; Q876-T880 VanDerWaalsContact O-OG1 3.09Å; S877-T880 WeakPolarHBondContact CA-OG1 3.3Å; S877-T880 PolarHBondContact O-OG1 2.78Å; F878-T880 VanDerWaalsContact C-N 3.33Å; F878-T880 PolarHBondContact O-N 3.4Å; T880-K883 WeakPolarHBondContact O-CB 3.16Å; T880-K883 PolarHBondContact O-N 2.75Å; T880-E884 WeakPolarHBondContact O-CB 3.48Å; T880-E884 PolarHBondContact O-N 3.41Å
881	Q	64.2	Low	63.5	Low	62 Å²	62	78.6 Å²	78.6	29%	0.29	41%	0.414	S	S	.	.	H	α-helix	trans	-66.8	-41.6	175.6	-77	-172.4	-13.8	0	0	112.8	S877 F878 K883 E884 I885	S877-Q881 PolarHBondContact O-N 3.26Å; S877-Q881 VanDerWaalsContact O-N 3.11Å; F878-Q881 PolarHBondContact O-N 2.78Å; Q881-K883 VanDerWaalsContact C-N 3.27Å; Q881-K883 PolarHBondContact O-N 3.46Å; Q881-E884 PolarHBondContact O-N 3.3Å; Q881-I885 WeakPolarHBondContact O-CB 3.49Å; Q881-I885 VanDerWaalsContact O-CG1 3.24Å; Q881-I885 WeakPolarHBondContact O-CG1 3.38Å; Q881-I885 PolarHBondContact O-N 3.27Å
882	I	63.2	Low	63	Low	93 Å²	93	79 Å²	79	48%	0.477	42%	0.417	S	S	.	.	H	α-helix	trans	-59.9	-44.1	173.6	-70.6	167.3	0	0	0	109.5	F878 E884 I885 V886	F878-I882 WeakPolarHBondContact O-CB 3.2Å; F878-I882 WeakPolarHBondContact O-CD1 3.41Å; F878-I882 WeakPolarHBondContact O-CG1 3.19Å; F878-I882 PolarHBondContact O-N 2.87Å; I882-E884 PolarHBondContact O-N 3.41Å; I882-I885 PolarHBondContact O-N 2.87Å; I882-V886 HydrophobicContact CG2-CG2 4.26Å; I882-V886 WeakPolarHBondContact O-CB 3.22Å; I882-V886 WeakPolarHBondContact O-CG2 3.33Å; I882-V886 PolarHBondContact O-N 2.87Å
883	K	65.2	Low	62.2	Low	130 Å²	130	80.9 Å²	80.9	57%	0.565	42%	0.421	S	S	*	.	H	α-helix	trans	-62.5	-42	177.4	-170.2	-174.3	-178.8	-171.5	0	111.7	S879 T880 Q881 V886 Q887	S879-K883 WeakPolarHBondContact O-CB 3.19Å; S879-K883 PolarHBondContact O-N 3.06Å; T880-K883 WeakPolarHBondContact O-CB 3.16Å; T880-K883 PolarHBondContact O-N 2.75Å; Q881-K883 VanDerWaalsContact C-N 3.27Å; Q881-K883 PolarHBondContact O-N 3.46Å; K883-V886 PolarHBondContact O-N 2.84Å; K883-Q887 HydrophobicContact CG-CG 4.32Å; K883-Q887 VanDerWaalsContact O-CB 3.23Å; K883-Q887 WeakPolarHBondContact O-CB 3Å; K883-Q887 WeakPolarHBondContact O-CG 3.36Å; K883-Q887 PolarHBondContact O-N 3.3Å
884	E	66.5	Low	60.8	Low	125 Å²	125	79.4 Å²	79.4	58%	0.584	41%	0.413	S	S	*	.	H	α-helix	trans	-65.8	-44.8	177.7	-162.2	175.7	-154.6	0	0	111.2	T880 Q881 I882 V886 Q887 E888	T880-E884 WeakPolarHBondContact O-CB 3.48Å; T880-E884 PolarHBondContact O-N 3.41Å; Q881-E884 PolarHBondContact O-N 3.3Å; I882-E884 PolarHBondContact O-N 3.41Å; E884-V886 PolarHBondContact O-N 2.84Å; E884-Q887 PolarHBondContact O-N 3.41Å; E884-E888 HydrophobicContact CG-CG 4.39Å; E884-E888 VanDerWaalsContact O-CB 3.25Å; E884-E888 WeakPolarHBondContact O-CB 3.34Å; E884-E888 PolarHBondContact O-N 3.26Å
885	I	59.3	Low	59.8	Low	42 Å²	42	86.9 Å²	86.9	22%	0.215	44%	0.437	C	S	.	.	H	α-helix	trans	-58.6	-49.8	173.5	-68.6	165.8	0	0	0	110	L828 Q881 I882 T889	L828-I885 HydrophobicContact CD1-CD1 4.32Å; Q881-I885 WeakPolarHBondContact O-CB 3.49Å; Q881-I885 VanDerWaalsContact O-CG1 3.24Å; Q881-I885 WeakPolarHBondContact O-CG1 3.38Å; Q881-I885 PolarHBondContact O-N 3.27Å; I882-I885 PolarHBondContact O-N 2.87Å; I885-T889 WeakPolarHBondContact O-CB 3.44Å; I885-T889 PolarHBondContact O-N 3.45Å; I885-T889 PolarHBondContact O-OG1 2.98Å
886	V	58.5	Low	58.8	Low	60 Å²	60	91.4 Å²	91.4	36%	0.364	46%	0.456	S	S	.	.	I	π-helix	trans	-67.7	-42.3	-178	172.3	0	0	0	0	111.6	I882 K883 E884 I890 I891	I882-V886 HydrophobicContact CG2-CG2 4.26Å; I882-V886 WeakPolarHBondContact O-CB 3.22Å; I882-V886 WeakPolarHBondContact O-CG2 3.33Å; I882-V886 PolarHBondContact O-N 2.87Å; K883-V886 PolarHBondContact O-N 2.84Å; E884-V886 PolarHBondContact O-N 2.84Å; V886-I890 HydrophobicContact CG1-CD1 4.39Å; V886-I890 HydrophobicContact CG2-CD1 4.29Å; V886-I890 WeakPolarHBondContact O-CA 3.14Å; V886-I890 VanDerWaalsContact O-CB 3.25Å; V886-I890 WeakPolarHBondContact O-CB 3.08Å; V886-I890 PolarHBondContact O-N 2.91Å; V886-I890 VanDerWaalsContact O-N 3.07Å; V886-I891 PolarHBondContact O-N 3.4Å; V886-I891 VanDerWaalsContact O-N 3.16Å
887	Q	57.3	Low	58	Low	93 Å²	93	88.1 Å²	88.1	44%	0.435	45%	0.447	S	S	.	.	I	π-helix	trans	-69.5	-50.1	179.9	-79.2	-171.3	-75.9	0	0	112.1	K883 E884 I891 N892	K883-Q887 HydrophobicContact CG-CG 4.32Å; K883-Q887 VanDerWaalsContact O-CB 3.23Å; K883-Q887 WeakPolarHBondContact O-CB 3Å; K883-Q887 WeakPolarHBondContact O-CG 3.36Å; K883-Q887 PolarHBondContact O-N 3.3Å; E884-Q887 PolarHBondContact O-N 3.41Å; Q887-I891 HydrophobicContact CG-CD1 3.98Å; Q887-I891 WeakPolarHBondContact O-CB 3.28Å; Q887-I891 PolarHBondContact O-N 3.29Å; Q887-N892 PolarHBondContact O-N 2.71Å
888	E	54.4	Low	56.7	Low	117 Å²	117	94.4 Å²	94.4	55%	0.547	48%	0.476	S	S	.	.	I	π-helix	trans	-73.3	-39.4	-175.5	-73.9	-69.7	151.1	0	0	112.2	E884	E884-E888 HydrophobicContact CG-CG 4.39Å; E884-E888 VanDerWaalsContact O-CB 3.25Å; E884-E888 WeakPolarHBondContact O-CB 3.34Å; E884-E888 PolarHBondContact O-N 3.26Å
889	T	55.8	Low	56.6	Low	43 Å²	43	94.9 Å²	94.9	26%	0.264	49%	0.486	S	S	.	.	I	π-helix	trans	-92.7	-35.2	-175	67.4	0	0	0	0	114.2	I885	I885-T889 WeakPolarHBondContact O-CB 3.44Å; I885-T889 PolarHBondContact O-N 3.45Å; I885-T889 PolarHBondContact O-OG1 2.98Å
890	I	54.6	Low	56.5	Low	67 Å²	67	97.7 Å²	97.7	34%	0.344	50%	0.5	S	S	.	.	I	π-helix	trans	-97.7	-46.6	-173.1	-52.6	179.8	0	0	0	110	V886 L894	V886-I890 HydrophobicContact CG1-CD1 4.39Å; V886-I890 HydrophobicContact CG2-CD1 4.29Å; V886-I890 WeakPolarHBondContact O-CA 3.14Å; V886-I890 VanDerWaalsContact O-CB 3.25Å; V886-I890 WeakPolarHBondContact O-CB 3.08Å; V886-I890 PolarHBondContact O-N 2.91Å; V886-I890 VanDerWaalsContact O-N 3.07Å; I890-L894 HydrophobicContact CG2-CD1 3.62Å; I890-L894 HydrophobicContact CG2-CG 4.32Å; I890-L894 VanDerWaalsContact O-CB 3.28Å; I890-L894 WeakPolarHBondContact O-CB 3.38Å; I890-L894 VanDerWaalsContact O-CD1 3.31Å; I890-L894 WeakPolarHBondContact O-CD1 3.34Å; I890-L894 WeakPolarHBondContact O-CG 3.38Å; I890-L894 PolarHBondContact O-N 3.34Å
891	I	47.8	Very low	55.8	Low	88 Å²	88	100.5 Å²	100.5	45%	0.451	51%	0.511	S	S	.	.	I	π-helix	trans	-75.1	-39	-173.4	-66.3	168.6	0	0	0	112.6	V886 Q887 L894 R895	V886-I891 PolarHBondContact O-N 3.4Å; V886-I891 VanDerWaalsContact O-N 3.16Å; Q887-I891 HydrophobicContact CG-CD1 3.98Å; Q887-I891 WeakPolarHBondContact O-CB 3.28Å; Q887-I891 PolarHBondContact O-N 3.29Å; I891-L894 WeakPolarHBondContact O-CB 3.49Å; I891-L894 PolarHBondContact O-N 3Å; I891-R895 PolarHBondContact O-N 2.97Å
892	N	53.2	Low	55.3	Low	97 Å²	97	100.5 Å²	100.5	52%	0.519	51%	0.51	S	S	.	.	H	α-helix	trans	-68.2	-34.3	178.2	-74.8	-18.3	0	0	0	112.9	Q887 L894	Q887-N892 PolarHBondContact O-N 2.71Å; N892-L894 VanDerWaalsContact C-N 3.34Å
893	E	52.8	Low	55.2	Low	110 Å²	110	100.5 Å²	100.5	51%	0.514	52%	0.515	S	S	.	.	H	α-helix	trans	-74.2	-24.6	171.7	-83.3	-85.5	-163.8	0	0	112.6	K817 R895	K817-E893 IonicContact NZ-OE1 3.77Å; K817-E893 PolarHBondContact NZ-OE1 3.08Å; K817-E893 IonicContact NZ-OE2 3.11Å; E893-R895 VanDerWaalsContact C-N 3.33Å
894	L	49.2	Very low	55	Low	54 Å²	54	102 Å²	102	28%	0.283	52%	0.518	S	S	.	.	H	α-helix	trans	-76.6	-16.1	176.7	-81.5	169.5	0	0	0	114.1	I890 I891 N892 D896 F902	I890-L894 HydrophobicContact CG2-CD1 3.62Å; I890-L894 HydrophobicContact CG2-CG 4.32Å; I890-L894 VanDerWaalsContact O-CB 3.28Å; I890-L894 WeakPolarHBondContact O-CB 3.38Å; I890-L894 VanDerWaalsContact O-CD1 3.31Å; I890-L894 WeakPolarHBondContact O-CD1 3.34Å; I890-L894 WeakPolarHBondContact O-CG 3.38Å; I890-L894 PolarHBondContact O-N 3.34Å; I891-L894 WeakPolarHBondContact O-CB 3.49Å; I891-L894 PolarHBondContact O-N 3Å; N892-L894 VanDerWaalsContact C-N 3.34Å; L894-D896 VanDerWaalsContact C-N 3.25Å; L894-D896 PolarHBondContact O-N 3.23Å; L894-F902 HydrophobicContact CD2-CD1 3.04Å; L894-F902 HydrophobicContact CD2-CE1 3.08Å; L894-F902 HydrophobicContact CD2-CG 3.97Å; L894-F902 HydrophobicContact CD2-CZ 4.04Å; L894-F902 HydrophobicContact CG-CD1 4.44Å; L894-F902 HydrophobicContact CG-CE1 4.16Å
895	R	49.5	Very low	54.5	Low	216 Å²	216	101.6 Å²	101.6	82%	0.815	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.7	-172	-168.3	169.7	178.4	-179	-1.4	113.4	I891 E893	I891-R895 PolarHBondContact O-N 2.97Å; E893-R895 VanDerWaalsContact C-N 3.33Å
896	D	46.4	Very low	54.3	Low	158 Å²	158	108.6 Å²	108.6	85%	0.845	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	19.1	-168.5	-124.2	16.8	0	0	0	115.5	L894	L894-D896 VanDerWaalsContact C-N 3.25Å; L894-D896 PolarHBondContact O-N 3.23Å
897	S	51	Low	54.8	Low	52 Å²	52	111.8 Å²	111.8	36%	0.364	55%	0.549	S	S	.	.			trans	-149.7	91.2	173.4	17	0	0	0	0	115	S899 F902	S897-S899 PolarHBondContact O-N 3.16Å; S897-F902 WeakPolarHBondContact O-CD2 3.42Å; S897-F902 VanDerWaalsContact OG-CE2 3.31Å; S897-F902 WeakPolarHBondContact OG-CE2 3.36Å
898	D	48.2	Very low	55	Low	182 Å²	182	109.6 Å²	109.6	97%	0.973	54%	0.542	S	S	*	.			trans	-70.4	49.8	174.6	-81.8	-29.6	0	0	0	114.1
899	S	58.4	Low	55.3	Low	58 Å²	58	107 Å²	107	41%	0.406	53%	0.534	S	S	.	.			trans	-104.3	145.4	175.5	85.2	0	0	0	0	112.8	S897 L901 F902	S897-S899 PolarHBondContact O-N 3.16Å; S899-L901 PolarHBondContact O-N 3.23Å; S899-F902 WeakPolarHBondContact O-CA 3.38Å; S899-F902 VanDerWaalsContact O-CB 3.29Å; S899-F902 WeakPolarHBondContact O-CB 3.46Å; S899-F902 PolarHBondContact O-N 3.1Å
900	V	61.4	Low	55.6	Low	123 Å²	123	107.7 Å²	107.7	75%	0.745	54%	0.541	S	S	*	.	H	α-helix	trans	-52.1	-30.1	177.9	175.5	0	0	0	0	112.6	F902 T903 Y904	V900-F902 PolarHBondContact O-N 3.39Å; V900-T903 PolarHBondContact O-N 2.98Å; V900-T903 VanDerWaalsContact O-N 3.17Å; V900-T903 PolarHBondContact O-OG1 2.89Å; V900-Y904 PolarHBondContact O-N 3.47Å
901	L	55.2	Low	56	Low	140 Å²	140	108.2 Å²	108.2	73%	0.733	55%	0.547	S	S	*	.	H	α-helix	trans	-55.8	-34.8	174	-156.5	87.2	0	0	0	111.8	S899 Y904 F905	S899-L901 PolarHBondContact O-N 3.23Å; L901-Y904 PolarHBondContact O-N 3.46Å; L901-F905 PolarHBondContact O-N 2.96Å
902	F	53.5	Low	56.6	Low	63 Å²	63	109.7 Å²	109.7	28%	0.276	56%	0.555	S	S	.	*	H	α-helix	trans	-74.5	-34.5	179.7	-101.4	-65.4	0	0	0	113.7	L894 S897 S899 V900 Y904 F905 R906	L894-F902 HydrophobicContact CD2-CD1 3.04Å; L894-F902 HydrophobicContact CD2-CE1 3.08Å; L894-F902 HydrophobicContact CD2-CG 3.97Å; L894-F902 HydrophobicContact CD2-CZ 4.04Å; L894-F902 HydrophobicContact CG-CD1 4.44Å; L894-F902 HydrophobicContact CG-CE1 4.16Å; S897-F902 WeakPolarHBondContact O-CD2 3.42Å; S897-F902 VanDerWaalsContact OG-CE2 3.31Å; S897-F902 WeakPolarHBondContact OG-CE2 3.36Å; S899-F902 WeakPolarHBondContact O-CA 3.38Å; S899-F902 VanDerWaalsContact O-CB 3.29Å; S899-F902 WeakPolarHBondContact O-CB 3.46Å; S899-F902 PolarHBondContact O-N 3.1Å; V900-F902 PolarHBondContact O-N 3.39Å; F902-Y904 VanDerWaalsContact C-N 3.3Å; F902-Y904 PolarHBondContact O-N 3.47Å; F902-F905 HydrophobicContact CD1-CB 4.47Å; F902-F905 PolarHBondContact O-N 2.93Å; F902-R906 WeakPolarHBondContact O-CB 3.3Å; F902-R906 PolarHBondContact O-N 3.31Å
903	T	61.6	Low	57	Low	92 Å²	92	107.5 Å²	107.5	56%	0.564	55%	0.55	S	S	*	*	H	α-helix	trans	-62.8	-40.8	172.3	50.9	0	0	0	0	111.6	V900 R906 Q907	V900-T903 PolarHBondContact O-N 2.98Å; V900-T903 VanDerWaalsContact O-N 3.17Å; V900-T903 PolarHBondContact O-OG1 2.89Å; T903-R906 PolarHBondContact O-N 3.09Å; T903-Q907 WeakPolarHBondContact O-CB 3.4Å; T903-Q907 PolarHBondContact O-N 3.47Å
904	Y	59.9	Low	57.2	Low	161 Å²	161	109.3 Å²	109.3	63%	0.631	56%	0.557	S	S	*	*	H	α-helix	trans	-64.1	-45.5	174.3	-174.8	-98.6	0	0	0	111.2	V900 L901 F902 R906 Q907 T908	V900-Y904 PolarHBondContact O-N 3.47Å; L901-Y904 PolarHBondContact O-N 3.46Å; F902-Y904 VanDerWaalsContact C-N 3.3Å; F902-Y904 PolarHBondContact O-N 3.47Å; Y904-R906 PolarHBondContact O-N 3.24Å; Y904-Q907 PolarHBondContact O-N 2.94Å; Y904-T908 HydrophobicContact CD1-CG2 4.05Å; Y904-T908 HydrophobicContact CE1-CG2 3.63Å; Y904-T908 HydrophobicContact CE2-CG2 4.36Å; Y904-T908 WeakPolarHBondContact O-CG2 3.44Å; Y904-T908 PolarHBondContact O-N 2.95Å; Y904-T908 PolarHBondContact O-OG1 3.1Å
905	F	56.1	Low	57.7	Low	117 Å²	117	112.2 Å²	112.2	51%	0.513	57%	0.569	S	S	.	*	H	α-helix	trans	-59.2	-48.5	176.8	-168.4	-101	0	0	0	111.7	L901 F902 Q907 T908 V909	L901-F905 PolarHBondContact O-N 2.96Å; F902-F905 HydrophobicContact CD1-CB 4.47Å; F902-F905 PolarHBondContact O-N 2.93Å; F905-Q907 VanDerWaalsContact C-N 3.27Å; F905-Q907 PolarHBondContact O-N 3.1Å; F905-T908 WeakPolarHBondContact CA-OG1 3.45Å; F905-T908 PolarHBondContact O-N 3.21Å; F905-T908 PolarHBondContact O-OG1 3.32Å; F905-V909 HydrophobicContact CD1-CG2 3.96Å; F905-V909 HydrophobicContact CE1-CG2 3.63Å; F905-V909 HydrophobicContact CE2-CG2 4.37Å; F905-V909 HydrophobicContact CG-CG2 4.47Å; F905-V909 HydrophobicContact CZ-CG2 3.85Å; F905-V909 WeakPolarHBondContact O-CG2 3.48Å; F905-V909 PolarHBondContact O-N 3.48Å
906	R	56.2	Low	58.3	Low	190 Å²	190	105 Å²	105	72%	0.717	55%	0.551	S	S	*	*	H	α-helix	trans	-56.4	-42.3	175.6	-167.5	-173	-166.4	-135.6	5.1	111.8	F902 T903 Y904 S910	F902-R906 WeakPolarHBondContact O-CB 3.3Å; F902-R906 PolarHBondContact O-N 3.31Å; T903-R906 PolarHBondContact O-N 3.09Å; Y904-R906 PolarHBondContact O-N 3.24Å; R906-S910 WeakPolarHBondContact O-CB 3.3Å; R906-S910 PolarHBondContact O-N 3.11Å
907	Q	68.1	Low	58.5	Low	126 Å²	126	101.1 Å²	101.1	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-65.8	-48.2	178.7	-158.8	169.2	4.8	0	0	110.8	T903 Y904 F905 V909 S910 T911	T903-Q907 WeakPolarHBondContact O-CB 3.4Å; T903-Q907 PolarHBondContact O-N 3.47Å; Y904-Q907 PolarHBondContact O-N 2.94Å; F905-Q907 VanDerWaalsContact C-N 3.27Å; F905-Q907 PolarHBondContact O-N 3.1Å; Q907-V909 PolarHBondContact O-N 2.68Å; Q907-S910 PolarHBondContact O-N 3.01Å; Q907-S910 PolarHBondContact O-OG 3.2Å; Q907-T911 WeakPolarHBondContact O-CG2 3.44Å; Q907-T911 PolarHBondContact O-N 3.34Å; Q907-T911 PolarHBondContact O-OG1 3.4Å
908	T	61.2	Low	58.7	Low	48 Å²	48	103.4 Å²	103.4	29%	0.294	54%	0.541	S	S	.	.	H	α-helix	trans	-62.2	-40.1	177.9	54.1	0	0	0	0	113.5	Y904 F905 T911 L912	Y904-T908 HydrophobicContact CD1-CG2 4.05Å; Y904-T908 HydrophobicContact CE1-CG2 3.63Å; Y904-T908 HydrophobicContact CE2-CG2 4.36Å; Y904-T908 WeakPolarHBondContact O-CG2 3.44Å; Y904-T908 PolarHBondContact O-N 2.95Å; Y904-T908 PolarHBondContact O-OG1 3.1Å; F905-T908 WeakPolarHBondContact CA-OG1 3.45Å; F905-T908 PolarHBondContact O-N 3.21Å; F905-T908 PolarHBondContact O-OG1 3.32Å; T908-T911 WeakPolarHBondContact CA-OG1 3.19Å; T908-T911 PolarHBondContact O-N 3.18Å; T908-T911 PolarHBondContact O-OG1 2.86Å; T908-L912 WeakPolarHBondContact O-CB 3.36Å; T908-L912 PolarHBondContact O-N 3.08Å
909	V	61.1	Low	59.3	Low	61 Å²	61	101.3 Å²	101.3	37%	0.37	52%	0.524	S	S	.	.	H	α-helix	trans	-66.6	-41.9	175.7	173.3	0	0	0	0	110.4	F905 Q907 T911 L912 A913	F905-V909 HydrophobicContact CD1-CG2 3.96Å; F905-V909 HydrophobicContact CE1-CG2 3.63Å; F905-V909 HydrophobicContact CE2-CG2 4.37Å; F905-V909 HydrophobicContact CG-CG2 4.47Å; F905-V909 HydrophobicContact CZ-CG2 3.85Å; F905-V909 WeakPolarHBondContact O-CG2 3.48Å; F905-V909 PolarHBondContact O-N 3.48Å; Q907-V909 PolarHBondContact O-N 2.68Å; V909-T911 VanDerWaalsContact C-N 3.32Å; V909-T911 PolarHBondContact O-N 3.42Å; V909-L912 PolarHBondContact O-N 3.35Å; V909-A913 WeakPolarHBondContact O-CB 3.47Å; V909-A913 PolarHBondContact O-N 3.11Å
910	S	62.9	Low	59	Low	59 Å²	59	104.5 Å²	104.5	41%	0.413	54%	0.536	S	S	.	.	H	α-helix	trans	-63.9	-36.6	177.4	81.8	0	0	0	0	112.8	R906 Q907 K914	R906-S910 WeakPolarHBondContact O-CB 3.3Å; R906-S910 PolarHBondContact O-N 3.11Å; Q907-S910 PolarHBondContact O-N 3.01Å; Q907-S910 PolarHBondContact O-OG 3.2Å; S910-K914 PolarHBondContact O-N 2.91Å
911	T	61.8	Low	58.6	Low	77 Å²	77	102.6 Å²	102.6	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-71.3	-41.8	177.3	50.5	0	0	0	0	111.1	Q907 T908 V909 A913 K914 E915	Q907-T911 WeakPolarHBondContact O-CG2 3.44Å; Q907-T911 PolarHBondContact O-N 3.34Å; Q907-T911 PolarHBondContact O-OG1 3.4Å; T908-T911 WeakPolarHBondContact CA-OG1 3.19Å; T908-T911 PolarHBondContact O-N 3.18Å; T908-T911 PolarHBondContact O-OG1 2.86Å; V909-T911 VanDerWaalsContact C-N 3.32Å; V909-T911 PolarHBondContact O-N 3.42Å; T911-A913 VanDerWaalsContact C-N 3.35Å; T911-A913 PolarHBondContact O-N 3.32Å; T911-K914 PolarHBondContact O-N 3.27Å; T911-E915 WeakPolarHBondContact O-CB 3.47Å; T911-E915 PolarHBondContact O-N 2.87Å
912	L	60.8	Low	58.3	Low	120 Å²	120	104.2 Å²	104.2	63%	0.628	52%	0.518	S	S	*	.	H	α-helix	trans	-65.3	-40.1	178.7	-159	80.3	0	0	0	111.5	T908 V909 E915 S916	T908-L912 WeakPolarHBondContact O-CB 3.36Å; T908-L912 PolarHBondContact O-N 3.08Å; V909-L912 PolarHBondContact O-N 3.35Å; L912-E915 PolarHBondContact O-N 3.27Å; L912-S916 PolarHBondContact O-N 2.86Å
913	A	61	Low	58.4	Low	50 Å²	50	106.3 Å²	106.3	41%	0.413	53%	0.532	S	S	.	.	H	α-helix	trans	-62.3	-46.3	175.8	0	0	0	0	0	111.7	V909 T911 S916 V917	V909-A913 WeakPolarHBondContact O-CB 3.47Å; V909-A913 PolarHBondContact O-N 3.11Å; T911-A913 VanDerWaalsContact C-N 3.35Å; T911-A913 PolarHBondContact O-N 3.32Å; A913-S916 PolarHBondContact O-N 3.33Å; A913-S916 PolarHBondContact O-OG 3.4Å; A913-V917 WeakPolarHBondContact O-CG2 3.21Å; A913-V917 PolarHBondContact O-N 2.65Å
914	K	57.4	Low	57.8	Low	149 Å²	149	111.6 Å²	111.6	65%	0.648	54%	0.542	S	S	*	.	H	α-helix	trans	-60.1	-47.1	175.6	-79.4	-177.7	175.7	-177.1	0	112.3	S910 T911 S916 V917 D918	S910-K914 PolarHBondContact O-N 2.91Å; T911-K914 PolarHBondContact O-N 3.27Å; K914-S916 VanDerWaalsContact C-N 3.27Å; K914-S916 PolarHBondContact O-N 2.85Å; K914-V917 PolarHBondContact O-N 3.44Å; K914-V917 VanDerWaalsContact O-N 3.11Å; K914-D918 PolarHBondContact O-N 3.31Å
915	E	60.5	Low	57	Low	115 Å²	115	110.3 Å²	110.3	54%	0.537	54%	0.541	S	S	.	.	H	α-helix	trans	-63.4	-34.6	-178.5	-162.6	178.5	-170.6	0	0	112.3	T911 L912 K919	T911-E915 WeakPolarHBondContact O-CB 3.47Å; T911-E915 PolarHBondContact O-N 2.87Å; L912-E915 PolarHBondContact O-N 3.27Å; E915-K919 PolarHBondContact O-N 3.45Å
916	S	61.4	Low	56.4	Low	63 Å²	63	108.9 Å²	108.9	44%	0.441	55%	0.545	S	S	.	.	H	α-helix	trans	-66.8	-38.6	174.3	74.2	0	0	0	0	112.8	L912 A913 K914 L920	L912-S916 PolarHBondContact O-N 2.86Å; A913-S916 PolarHBondContact O-N 3.33Å; A913-S916 PolarHBondContact O-OG 3.4Å; K914-S916 VanDerWaalsContact C-N 3.27Å; K914-S916 PolarHBondContact O-N 2.85Å; S916-L920 WeakPolarHBondContact O-CG 3.31Å; S916-L920 PolarHBondContact O-N 2.78Å
917	V	51.8	Low	55.9	Low	77 Å²	77	107.9 Å²	107.9	47%	0.467	55%	0.549	S	S	.	.	H	α-helix	trans	-70.1	-42.8	176.4	174.4	0	0	0	0	110.7	A913 K914 K919 L920 I921	A913-V917 WeakPolarHBondContact O-CG2 3.21Å; A913-V917 PolarHBondContact O-N 2.65Å; K914-V917 PolarHBondContact O-N 3.44Å; K914-V917 VanDerWaalsContact O-N 3.11Å; V917-K919 VanDerWaalsContact C-N 3.31Å; V917-K919 PolarHBondContact O-N 3.39Å; V917-L920 WeakPolarHBondContact O-CB 3.19Å; V917-L920 PolarHBondContact O-N 3.32Å; V917-L920 VanDerWaalsContact O-N 3.07Å; V917-I921 HydrophobicContact CG1-CD1 3.99Å; V917-I921 HydrophobicContact CG1-CG1 4.5Å; V917-I921 WeakPolarHBondContact O-CG1 3.24Å; V917-I921 PolarHBondContact O-N 3.11Å
918	D	53.5	Low	54.6	Low	100 Å²	100	109 Å²	109	54%	0.535	56%	0.558	S	S	.	*	H	α-helix	trans	-62.4	-38.1	177.5	-71.4	-23.1	0	0	0	111.8	K914 L920 I921 Y922	K914-D918 PolarHBondContact O-N 3.31Å; D918-L920 VanDerWaalsContact C-N 3.33Å; D918-L920 PolarHBondContact O-N 2.97Å; D918-I921 PolarHBondContact O-N 3.24Å; D918-Y922 WeakPolarHBondContact O-CB 3.48Å; D918-Y922 PolarHBondContact O-N 3.47Å
919	K	61.1	Low	53.7	Low	139 Å²	139	111.8 Å²	111.8	60%	0.604	58%	0.575	S	S	*	*	H	α-helix	trans	-61.6	-39.2	172	-95.1	-179.5	177	171.1	0	112.9	E915 V917 N923	E915-K919 PolarHBondContact O-N 3.45Å; V917-K919 VanDerWaalsContact C-N 3.31Å; V917-K919 PolarHBondContact O-N 3.39Å; K919-N923 PolarHBondContact O-N 3.37Å; K919-N923 VanDerWaalsContact O-N 3.13Å
920	L	53.6	Low	52.5	Low	125 Å²	125	113.9 Å²	113.9	65%	0.654	59%	0.59	S	S	*	*	H	α-helix	trans	-68.2	-37.1	176.8	-69.6	171.5	0	0	0	111.7	S916 V917 D918 R924	S916-L920 WeakPolarHBondContact O-CG 3.31Å; S916-L920 PolarHBondContact O-N 2.78Å; V917-L920 WeakPolarHBondContact O-CB 3.19Å; V917-L920 PolarHBondContact O-N 3.32Å; V917-L920 VanDerWaalsContact O-N 3.07Å; D918-L920 VanDerWaalsContact C-N 3.33Å; D918-L920 PolarHBondContact O-N 2.97Å; L920-R924 PolarHBondContact O-N 1.99Å
921	I	51.3	Low	51.5	Low	83 Å²	83	120.7 Å²	120.7	43%	0.426	62%	0.615	S	S	.	*	H	α-helix	trans	-69	-43.7	176.8	-65.6	171	0	0	0	111.1	V917 D918 N923 R924 H925	V917-I921 HydrophobicContact CG1-CD1 3.99Å; V917-I921 HydrophobicContact CG1-CG1 4.5Å; V917-I921 WeakPolarHBondContact O-CG1 3.24Å; V917-I921 PolarHBondContact O-N 3.11Å; D918-I921 PolarHBondContact O-N 3.24Å; I921-N923 PolarHBondContact O-N 2.93Å; I921-R924 PolarHBondContact O-N 3.38Å; I921-H925 PolarHBondContact O-N 3.49Å; I921-H925 VanDerWaalsContact O-N 3.12Å; I921-H925 PolarHBondContact O-ND1 3.18Å
922	Y	50.2	Low	50.8	Low	173 Å²	173	122.3 Å²	122.3	68%	0.678	63%	0.629	S	S	*	*	H	α-helix	trans	-61	-44.5	178.7	-178.5	-97.4	0	0	0	111.8	D918 R924 H925 S926	D918-Y922 WeakPolarHBondContact O-CB 3.48Å; D918-Y922 PolarHBondContact O-N 3.47Å; Y922-R924 VanDerWaalsContact C-N 3.27Å; Y922-R924 PolarHBondContact O-N 3.33Å; Y922-H925 PolarHBondContact O-N 2.95Å; Y922-S926 PolarHBondContact O-N 3.07Å
923	N	55.5	Low	50.4	Low	107 Å²	107	122 Å²	122	57%	0.572	63%	0.628	S	S	*	*	H	α-helix	trans	-64.1	-32.7	178.3	-74.2	-9.2	0	0	0	112.4	K919 I921	K919-N923 PolarHBondContact O-N 3.37Å; K919-N923 VanDerWaalsContact O-N 3.13Å; I921-N923 PolarHBondContact O-N 2.93Å
924	R	48	Very low	50	Low	204 Å²	204	128.5 Å²	128.5	77%	0.77	65%	0.649	S	S	*	*	H	α-helix	trans	-79.5	-27.1	-179.5	-150.6	169.8	-175.4	115	-2.1	113.6	L920 I921 Y922 S926	L920-R924 PolarHBondContact O-N 1.99Å; I921-R924 PolarHBondContact O-N 3.38Å; Y922-R924 VanDerWaalsContact C-N 3.27Å; Y922-R924 PolarHBondContact O-N 3.33Å; R924-S926 VanDerWaalsContact C-N 3.28Å
925	H	42.9	Very low	50.4	Low	133 Å²	133	126.5 Å²	126.5	62%	0.616	65%	0.646	S	S	*	*	H	α-helix	trans	-76.6	-15.2	174.9	-76.8	75	0	0	0	113.3	I921 Y922 E927	I921-H925 PolarHBondContact O-N 3.49Å; I921-H925 VanDerWaalsContact O-N 3.12Å; I921-H925 PolarHBondContact O-ND1 3.18Å; Y922-H925 PolarHBondContact O-N 2.95Å; H925-E927 VanDerWaalsContact C-N 3.31Å; H925-E927 PolarHBondContact O-N 3.05Å
926	S	44	Very low	51	Low	87 Å²	87	128 Å²	128	61%	0.608	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-74.6	-15.4	178.8	-169.6	0	0	0	0	114.3	Y922 R924	Y922-S926 PolarHBondContact O-N 3.07Å; R924-S926 VanDerWaalsContact C-N 3.28Å
927	E	45	Very low	51.8	Low	169 Å²	169	128.8 Å²	128.8	79%	0.79	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-89.9	-1.6	-176.6	-75.6	-177.4	166.7	0	0	114.5	H925	H925-E927 VanDerWaalsContact C-N 3.31Å; H925-E927 PolarHBondContact O-N 3.05Å
928	L	42.4	Very low	53.2	Low	149 Å²	149	128 Å²	128	78%	0.78	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-104.2	10.1	-175.9	-77	162.1	0	0	0	115.3	P930	L928-P930 WeakPolarHBondContact O-CD 3.37Å
929	V	42.3	Very low	54.5	Low	107 Å²	107	127.9 Å²	127.9	65%	0.648	66%	0.655	S	S	*	*	S	Bend	trans	-96.8	114.5	176	-176.6	0	0	0	0	110.4
930	P	35.5	Very low	55.7	Low	105 Å²	105	124 Å²	124	68%	0.682	65%	0.649	S	S	*	*			trans	-69.1	151.9	-175.3	22.2	-25.3	0	0	0	113.4	L928 S932	L928-P930 WeakPolarHBondContact O-CD 3.37Å; P930-S932 VanDerWaalsContact C-N 3.35Å; P930-S932 PolarHBondContact O-N 3.38Å
931	H	42.1	Very low	57.4	Low	202 Å²	202	124.1 Å²	124.1	94%	0.935	64%	0.644	S	S	*	*	S	Bend	trans	-59.7	46.1	-160.7	-65.6	-83.7	0	0	0	120
932	S	46.8	Very low	59.1	Low	112 Å²	112	126.1 Å²	126.1	78%	0.783	65%	0.653	S	S	*	*			trans	-101.4	9.8	169.5	109.5	0	0	0	0	114.7	P930 E934	P930-S932 VanDerWaalsContact C-N 3.35Å; P930-S932 PolarHBondContact O-N 3.38Å; S932-E934 PolarHBondContact O-N 3.29Å
933	L	51.2	Low	61	Low	114 Å²	114	122.1 Å²	122.1	60%	0.597	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-91	16.1	-169.3	-154.1	74.5	0	0	0	115.3	N935 K936	L933-N935 PolarHBondContact O-N 3.43Å; L933-N935 VanDerWaalsContact O-N 3.11Å; L933-K936 HydrophobicContact CD1-CB 3.82Å; L933-K936 HydrophobicContact CD1-CD 4.03Å; L933-K936 HydrophobicContact CG-CB 4.06Å
934	E	53	Low	62.8	Low	185 Å²	185	122.3 Å²	122.3	86%	0.864	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-69.7	-8.3	177.8	-143.6	165.5	-162.5	0	0	112.8	S932	S932-E934 PolarHBondContact O-N 3.29Å
935	N	66.8	Low	64.9	Low	108 Å²	108	117.8 Å²	117.8	58%	0.578	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-116.7	6.4	-176.6	-72.2	-28.8	0	0	0	116.7	L933 A937 T938 L939	L933-N935 PolarHBondContact O-N 3.43Å; L933-N935 VanDerWaalsContact O-N 3.11Å; N935-A937 VanDerWaalsContact C-N 3.35Å; N935-A937 PolarHBondContact O-N 3.27Å; N935-T938 WeakPolarHBondContact CA-OG1 3.31Å; N935-T938 WeakPolarHBondContact CB-OG1 3.24Å; N935-T938 PolarHBondContact O-N 3.48Å; N935-T938 PolarHBondContact O-OG1 3.19Å; N935-T938 PolarHBondContact OD1-OG1 3.39Å; N935-L939 WeakPolarHBondContact O-CB 3.41Å; N935-L939 PolarHBondContact O-N 3.43Å
936	K	71.7	Confident	67.2	Low	145 Å²	145	114.4 Å²	114.4	63%	0.63	63%	0.626	S	S	*	*	H	α-helix	trans	-65.7	-39.7	179	-174.4	175.5	176.3	-178.5	0	112	L933 A940	L933-K936 HydrophobicContact CD1-CB 3.82Å; L933-K936 HydrophobicContact CD1-CD 4.03Å; L933-K936 HydrophobicContact CG-CB 4.06Å; K936-A940 VanDerWaalsContact O-CB 3.3Å; K936-A940 WeakPolarHBondContact O-CB 3.35Å; K936-A940 PolarHBondContact O-N 2.92Å
937	A	78.5	Confident	69.6	Low	80 Å²	80	115.3 Å²	115.3	66%	0.661	62%	0.624	S	S	*	*	H	α-helix	trans	-69.6	-40.1	178	0	0	0	0	0	112	N935 A940 K941	N935-A937 VanDerWaalsContact C-N 3.35Å; N935-A937 PolarHBondContact O-N 3.27Å; A937-A940 PolarHBondContact O-N 2.91Å; A937-K941 WeakPolarHBondContact O-CB 3.39Å; A937-K941 PolarHBondContact O-N 3.5Å
938	T	82.1	Confident	71.9	Confident	60 Å²	60	113.9 Å²	113.9	37%	0.368	62%	0.617	S	S	.	*	H	α-helix	trans	-66.9	-42.9	176.2	55.8	0	0	0	0	111.1	N935 K941 M942	N935-T938 WeakPolarHBondContact CA-OG1 3.31Å; N935-T938 WeakPolarHBondContact CB-OG1 3.24Å; N935-T938 PolarHBondContact O-N 3.48Å; N935-T938 PolarHBondContact O-OG1 3.19Å; N935-T938 PolarHBondContact OD1-OG1 3.39Å; T938-K941 PolarHBondContact O-N 3.46Å; T938-M942 WeakPolarHBondContact O-CG 3.42Å; T938-M942 PolarHBondContact O-N 3.1Å
939	L	81.5	Confident	74.3	Confident	99 Å²	99	110.8 Å²	110.8	52%	0.518	60%	0.6	S	S	.	*	H	α-helix	trans	-61	-46.3	173.9	179.1	63.2	0	0	0	111.8	N935 K941 M942 I943	N935-L939 WeakPolarHBondContact O-CB 3.41Å; N935-L939 PolarHBondContact O-N 3.43Å; L939-K941 VanDerWaalsContact C-N 3.27Å; L939-K941 PolarHBondContact O-N 3.48Å; L939-M942 PolarHBondContact O-N 2.91Å; L939-I943 HydrophobicContact CD1-CD1 4.14Å; L939-I943 HydrophobicContact CD1-CG1 4.37Å; L939-I943 HydrophobicContact CG-CD1 3.95Å; L939-I943 VanDerWaalsContact O-CG1 3.3Å; L939-I943 WeakPolarHBondContact O-CG1 3.4Å; L939-I943 PolarHBondContact O-N 2.65Å
940	A	86.3	Confident	76.7	Confident	56 Å²	56	111.7 Å²	111.7	46%	0.463	60%	0.596	S	S	.	*	H	α-helix	trans	-59.2	-40.7	177	0	0	0	0	0	111.5	K936 A937 I943 D944	K936-A940 VanDerWaalsContact O-CB 3.3Å; K936-A940 WeakPolarHBondContact O-CB 3.35Å; K936-A940 PolarHBondContact O-N 2.92Å; A937-A940 PolarHBondContact O-N 2.91Å; A940-I943 PolarHBondContact O-N 3.41Å; A940-D944 WeakPolarHBondContact O-CB 3.37Å; A940-D944 PolarHBondContact O-N 3.46Å
941	K	87.6	Confident	79.3	Confident	129 Å²	129	110.8 Å²	110.8	56%	0.561	60%	0.597	S	S	*	*	H	α-helix	trans	-65.7	-43.1	175.8	-166.7	-174.8	-179.1	-159	0	112.5	A937 T938 L939 I943 D944 E945	A937-K941 WeakPolarHBondContact O-CB 3.39Å; A937-K941 PolarHBondContact O-N 3.5Å; T938-K941 PolarHBondContact O-N 3.46Å; L939-K941 VanDerWaalsContact C-N 3.27Å; L939-K941 PolarHBondContact O-N 3.48Å; K941-I943 VanDerWaalsContact C-N 3.31Å; K941-I943 PolarHBondContact O-N 3.24Å; K941-D944 PolarHBondContact O-N 3.07Å; K941-E945 WeakPolarHBondContact CE-OE1 3.31Å; K941-E945 IonicContact NZ-OE1 3.52Å; K941-E945 WeakPolarHBondContact O-CB 3.34Å; K941-E945 WeakPolarHBondContact O-CG 3.26Å; K941-E945 PolarHBondContact O-N 3.26Å
942	M	88.2	Confident	81.7	Confident	125 Å²	125	103.1 Å²	103.1	62%	0.616	57%	0.569	S	S	*	*	H	α-helix	trans	-61.6	-39.3	175.5	-71.2	174	-179.7	0	0	112.1	T938 L939 A946	T938-M942 WeakPolarHBondContact O-CG 3.42Å; T938-M942 PolarHBondContact O-N 3.1Å; L939-M942 PolarHBondContact O-N 2.91Å; M942-A946 WeakPolarHBondContact O-CB 3.29Å; M942-A946 PolarHBondContact O-N 2.96Å
943	I	89.8	Confident	83.6	Confident	89 Å²	89	100.2 Å²	100.2	46%	0.456	54%	0.544	S	S	.	.	H	α-helix	trans	-65.8	-44.9	176	-68	166.8	0	0	0	110.5	L939 A940 K941 A946 L947	L939-I943 HydrophobicContact CD1-CD1 4.14Å; L939-I943 HydrophobicContact CD1-CG1 4.37Å; L939-I943 HydrophobicContact CG-CD1 3.95Å; L939-I943 VanDerWaalsContact O-CG1 3.3Å; L939-I943 WeakPolarHBondContact O-CG1 3.4Å; L939-I943 PolarHBondContact O-N 2.65Å; A940-I943 PolarHBondContact O-N 3.41Å; K941-I943 VanDerWaalsContact C-N 3.31Å; K941-I943 PolarHBondContact O-N 3.24Å; I943-A946 PolarHBondContact O-N 3.34Å; I943-L947 HydrophobicContact CG2-CD1 3.98Å; I943-L947 HydrophobicContact CG2-CG 4.37Å; I943-L947 WeakPolarHBondContact O-CG 2.99Å; I943-L947 PolarHBondContact O-N 3.01Å
944	D	92.7	Very high	85.5	Confident	111 Å²	111	99.5 Å²	99.5	59%	0.594	53%	0.534	S	S	*	.	H	α-helix	trans	-61.6	-45.6	178.1	-169.8	60.5	0	0	0	111.8	A940 K941 A946 L947 H948	A940-D944 WeakPolarHBondContact O-CB 3.37Å; A940-D944 PolarHBondContact O-N 3.46Å; K941-D944 PolarHBondContact O-N 3.07Å; D944-A946 VanDerWaalsContact C-N 3.34Å; D944-A946 PolarHBondContact O-N 3.43Å; D944-L947 PolarHBondContact O-N 2.73Å; D944-H948 WeakPolarHBondContact O-CB 3.42Å; D944-H948 PolarHBondContact O-N 2.92Å
945	E	92	Very high	87.3	Confident	109 Å²	109	92 Å²	92	51%	0.509	50%	0.5	S	S	.	.	H	α-helix	trans	-60.4	-41.3	174.9	-73.7	175.9	-172.8	0	0	112	K941 H948 L949	K941-E945 WeakPolarHBondContact CE-OE1 3.31Å; K941-E945 IonicContact NZ-OE1 3.52Å; K941-E945 WeakPolarHBondContact O-CB 3.34Å; K941-E945 WeakPolarHBondContact O-CG 3.26Å; K941-E945 PolarHBondContact O-N 3.26Å; E945-H948 PolarHBondContact O-N 3.47Å; E945-L949 PolarHBondContact O-N 3.49Å
946	A	91.7	Very high	88.5	Confident	61 Å²	61	89 Å²	89	50%	0.504	50%	0.495	S	S	.	.	H	α-helix	trans	-67.4	-40.4	176.9	0	0	0	0	0	112.9	M942 I943 D944 L949 F950	M942-A946 WeakPolarHBondContact O-CB 3.29Å; M942-A946 PolarHBondContact O-N 2.96Å; I943-A946 PolarHBondContact O-N 3.34Å; D944-A946 VanDerWaalsContact C-N 3.34Å; D944-A946 PolarHBondContact O-N 3.43Å; A946-L949 PolarHBondContact O-N 2.85Å; A946-F950 PolarHBondContact O-N 3.4Å
947	L	94.6	Very high	89.6	Confident	107 Å²	107	85.7 Å²	85.7	56%	0.56	48%	0.484	S	S	*	.	H	α-helix	trans	-67.9	-38	176.1	-72.4	175.4	0	0	0	111.8	I943 D944 F950 A951	I943-L947 HydrophobicContact CG2-CD1 3.98Å; I943-L947 HydrophobicContact CG2-CG 4.37Å; I943-L947 WeakPolarHBondContact O-CG 2.99Å; I943-L947 PolarHBondContact O-N 3.01Å; D944-L947 PolarHBondContact O-N 2.73Å; L947-F950 PolarHBondContact O-N 3.46Å; L947-A951 WeakPolarHBondContact O-CB 3.45Å; L947-A951 PolarHBondContact O-N 3.44Å
948	H	94.3	Very high	90.4	Very high	139 Å²	139	86.3 Å²	86.3	64%	0.644	48%	0.48	S	S	*	.	H	α-helix	trans	-62.2	-44.3	173.9	-175.1	-82.5	0	0	0	111.3	D944 E945 F950 A951 A952	D944-H948 WeakPolarHBondContact O-CB 3.42Å; D944-H948 PolarHBondContact O-N 2.92Å; E945-H948 PolarHBondContact O-N 3.47Å; H948-F950 VanDerWaalsContact C-N 3.34Å; H948-F950 PolarHBondContact O-N 2.89Å; H948-A951 PolarHBondContact O-N 3.13Å; H948-A952 PolarHBondContact O-N 3.32Å
949	L	91.6	Very high	91	Very high	83 Å²	83	84.1 Å²	84.1	44%	0.435	47%	0.466	S	S	.	.	H	α-helix	trans	-62.7	-39.9	174.4	-177.8	64.3	0	0	0	112.2	E945 A946 A952 R954	E945-L949 PolarHBondContact O-N 3.49Å; A946-L949 PolarHBondContact O-N 2.85Å; L949-A952 CarbonylContact O-C 3.56Å; L949-A952 PolarHBondContact O-N 3.12Å; L949-R954 VanDerWaalsContact O-CA 3.29Å; L949-R954 WeakPolarHBondContact O-CA 3.35Å; L949-R954 PolarHBondContact O-N 3.25Å; L949-R954 VanDerWaalsContact O-N 3.15Å
950	F	92.2	Very high	91.8	Very high	127 Å²	127	80.3 Å²	80.3	56%	0.557	45%	0.445	S	S	*	.	H	α-helix	trans	-62.7	-42.7	175.5	-178.8	-94.7	0	0	0	112.1	A946 L947 H948 A952 D953 R954	A946-F950 PolarHBondContact O-N 3.4Å; L947-F950 PolarHBondContact O-N 3.46Å; H948-F950 VanDerWaalsContact C-N 3.34Å; H948-F950 PolarHBondContact O-N 2.89Å; F950-A952 VanDerWaalsContact C-N 3.27Å; F950-A952 PolarHBondContact O-N 3.04Å; F950-D953 PolarHBondContact O-N 3.46Å; F950-R954 HydrophobicContact CD2-CG 3.77Å; F950-R954 HydrophobicContact CE2-CG 4.04Å; F950-R954 PolarHBondContact O-N 2.86Å
951	A	91.1	Very high	92.3	Very high	86 Å²	86	77.7 Å²	77.7	71%	0.711	42%	0.423	S	S	*	.	H	α-helix	trans	-63.9	-32.3	175.6	0	0	0	0	0	112.5	L947 H948 D953	L947-A951 WeakPolarHBondContact O-CB 3.45Å; L947-A951 PolarHBondContact O-N 3.44Å; H948-A951 PolarHBondContact O-N 3.13Å; A951-D953 PolarHBondContact O-N 3.03Å
952	A	91.2	Very high	92.7	Very high	40 Å²	40	72.8 Å²	72.8	33%	0.331	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	48.2	173.9	0	0	0	0	0	112.8	H948 L949 F950 R954 T955 G956	H948-A952 PolarHBondContact O-N 3.32Å; L949-A952 CarbonylContact O-C 3.56Å; L949-A952 PolarHBondContact O-N 3.12Å; F950-A952 VanDerWaalsContact C-N 3.27Å; F950-A952 PolarHBondContact O-N 3.04Å; A952-R954 PolarHBondContact O-N 3.34Å; A952-R954 VanDerWaalsContact O-N 3.13Å; A952-T955 PolarHBondContact O-N 3.27Å; A952-G956 PolarHBondContact O-N 3.48Å
953	D	88.3	Confident	93.1	Very high	51 Å²	51	68.7 Å²	68.7	27%	0.273	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	29.7	179.2	-168.1	39.9	0	0	0	114.2	F950 A951 T955 R1117 R1119	F950-D953 PolarHBondContact O-N 3.46Å; A951-D953 PolarHBondContact O-N 3.03Å; D953-T955 PolarHBondContact O-N 2.96Å; D953-R1117 VanDerWaalsContact CG-NH1 3.29Å; D953-R1117 IonicContact OD1-CZ 2.73Å; D953-R1117 IonicContact OD1-NH1 3.42Å; D953-R1117 PolarHBondContact OD1-NH1 3.19Å; D953-R1117 IonicContact OD1-NH2 3.26Å; D953-R1117 IonicContact OD2-CZ 3.79Å; D953-R1117 IonicContact OD2-NH1 3.95Å; D953-R1117 PolarHBondContact OD2-NH1 3.29Å; D953-R1117 VanDerWaalsContact OD2-NH1 3.08Å; D953-R1117 IonicContact OD2-NH2 3.12Å; D953-R1117 PolarHBondContact OD2-NH2 3.34Å; D953-R1119 IonicContact OD1-NH2 2.65Å; D953-R1119 PolarHBondContact OD1-NH2 3.41Å; D953-R1119 IonicContact OD2-CZ 3.93Å; D953-R1119 IonicContact OD2-NE 3.71Å; D953-R1119 PolarHBondContact OD2-NE 3.03Å; D953-R1119 IonicContact OD2-NH2 2.71Å; D953-R1119 PolarHBondContact OD2-NH2 2.97Å
954	R	90.4	Very high	93.3	Very high	99 Å²	99	69.1 Å²	69.1	37%	0.374	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-11.5	178.7	-47.2	172	-167.3	153.8	8.3	115.8	L949 F950 A952 N1007 E1038 I1084	L949-R954 VanDerWaalsContact O-CA 3.29Å; L949-R954 WeakPolarHBondContact O-CA 3.35Å; L949-R954 PolarHBondContact O-N 3.25Å; L949-R954 VanDerWaalsContact O-N 3.15Å; F950-R954 HydrophobicContact CD2-CG 3.77Å; F950-R954 HydrophobicContact CE2-CG 4.04Å; F950-R954 PolarHBondContact O-N 2.86Å; A952-R954 PolarHBondContact O-N 3.34Å; A952-R954 VanDerWaalsContact O-N 3.13Å; R954-N1007 PolarHBondContact NH1-ND2 2.96Å; R954-N1007 PolarHBondContact NH2-ND2 3.46Å; R954-E1038 IonicContact NH1-OE1 3.52Å; R954-E1038 PolarHBondContact NH1-OE1 3.36Å; R954-I1084 HydrophobicContact CB-CD1 3.92Å; R954-I1084 HydrophobicContact CG-CD1 4.35Å
955	T	91.8	Very high	93.2	Very high	27 Å²	27	67.2 Å²	67.2	17%	0.166	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-32.1	-179.7	59	0	0	0	0	112.2	A952 D953 L957 T1036 I1084	A952-T955 PolarHBondContact O-N 3.27Å; D953-T955 PolarHBondContact O-N 2.96Å; T955-L957 PolarHBondContact O-N 2.93Å; T955-L957 PolarHBondContact OG1-N 2.86Å; T955-T1036 HydrophobicContact CG2-CG2 4.27Å; T955-I1084 HydrophobicContact CG2-CG2 3.97Å
956	G	92.1	Very high	93.4	Very high	46 Å²	46	64.3 Å²	64.3	47%	0.474	39%	0.387	S	S	.	.			trans	67.3	13.2	-172.9	0	0	0	0	0	114.1	A952	A952-G956 PolarHBondContact O-N 3.48Å
957	L	94.3	Very high	93.6	Very high	75 Å²	75	61.5 Å²	61.5	39%	0.393	37%	0.365	S	S	.	.	S	Bend	trans	-115.4	145.1	-178.6	-61.1	175.7	0	0	0	110.2	T955 D959 N1086 H1121	T955-L957 PolarHBondContact O-N 2.93Å; T955-L957 PolarHBondContact OG1-N 2.86Å; L957-D959 PolarHBondContact O-N 2.9Å; L957-N1086 VanDerWaalsContact CD1-ND2 3.35Å; L957-N1086 WeakPolarHBondContact CD1-ND2 3.46Å; L957-H1121 HydrophobicContact CB-CB 4.33Å; L957-H1121 WeakPolarHBondContact CB-ND1 3.49Å; L957-H1121 HydrophobicContact CD1-CB 4.41Å
958	T	94.2	Very high	93.7	Very high	94 Å²	94	58.5 Å²	58.5	58%	0.577	35%	0.353	S	S	*	.			trans	-71	127.1	178.6	-58.6	0	0	0	0	110.2	Y960 H1121	T958-Y960 HydrophobicContact CG2-CD2 4.19Å; T958-Y960 HydrophobicContact CG2-CE1 4.31Å; T958-Y960 HydrophobicContact CG2-CE2 3.8Å; T958-H1121 PolarHBondContact O-ND1 3.49Å
959	D	96.2	Very high	93.8	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.07	33%	0.331	C	S	.	.			trans	-95.8	102.4	177.9	-177.1	5.5	0	0	0	110.2	L957 A961 L962 R1117 R1119 V1120	L957-D959 PolarHBondContact O-N 2.9Å; D959-A961 VanDerWaalsContact C-N 3.31Å; D959-A961 PolarHBondContact OD1-N 3.27Å; D959-A961 VanDerWaalsContact OD1-N 3.1Å; D959-L962 HydrophobicContact CB-CB 4.16Å; D959-L962 WeakPolarHBondContact O-CB 3.33Å; D959-L962 PolarHBondContact OD1-N 3Å; D959-R1117 IonicContact OD2-CZ 2.85Å; D959-R1117 IonicContact OD2-NE 3.2Å; D959-R1117 IonicContact OD2-NH2 2.66Å; D959-R1117 PolarHBondContact OD2-NH2 2.62Å; D959-R1117 VanDerWaalsContact OD2-NH2 3.09Å; D959-R1119 HydrophobicContact CB-CB 4.32Å; D959-R1119 WeakPolarHBondContact OD1-CA 3.27Å; D959-R1119 WeakPolarHBondContact OD2-CG 3.31Å; D959-V1120 PolarHBondContact OD1-N 2.94Å
960	Y	96.6	Very high	93.9	Very high	20 Å²	20	52 Å²	52	8%	0.078	32%	0.324	C	S	.	.	S	Bend	trans	-81.4	-13.3	179.4	-69.2	-87.3	0	0	0	113.2	T958 S1027 I1030 V1120 G1122 M1124	T958-Y960 HydrophobicContact CG2-CD2 4.19Å; T958-Y960 HydrophobicContact CG2-CE1 4.31Å; T958-Y960 HydrophobicContact CG2-CE2 3.8Å; Y960-S1027 WeakPolarHBondContact CA-OG 3.07Å; Y960-S1027 PolarHBondContact O-N 3.39Å; Y960-S1027 PolarHBondContact O-OG 2.87Å; Y960-I1030 HydrophobicContact CD1-CG2 3.69Å; Y960-I1030 HydrophobicContact CD2-CD1 3.52Å; Y960-I1030 HydrophobicContact CD2-CG2 4.13Å; Y960-I1030 HydrophobicContact CE1-CG2 3.64Å; Y960-I1030 HydrophobicContact CE2-CD1 4.19Å; Y960-I1030 HydrophobicContact CE2-CG2 4.1Å; Y960-I1030 HydrophobicContact CG-CD1 3.72Å; Y960-I1030 HydrophobicContact CG-CG2 3.92Å; Y960-V1120 PolarHBondContact N-O 3.15Å; Y960-G1122 WeakPolarHBondContact CE2-O 3.24Å; Y960-M1124 HydrophobicContact CE1-CE 4.44Å; Y960-M1124 HydrophobicContact CE1-CG 3.77Å; Y960-M1124 HydrophobicContact CE1-SD 4.07Å
961	A	97	Very high	94	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-84.6	-15.6	175.6	0	0	0	0	0	112.1	D959 E963 L1003 I1024 L1026 V1120	D959-A961 VanDerWaalsContact C-N 3.31Å; D959-A961 PolarHBondContact OD1-N 3.27Å; D959-A961 VanDerWaalsContact OD1-N 3.1Å; A961-E963 PolarHBondContact O-N 3.24Å; A961-L1003 HydrophobicContact CB-CD2 3.95Å; A961-L1003 WeakPolarHBondContact O-CD1 3.19Å; A961-L1003 WeakPolarHBondContact O-CD2 3.21Å; A961-I1024 HydrophobicContact CB-CG2 4.16Å; A961-L1026 HydrophobicContact CB-CD2 3.94Å; A961-V1120 HydrophobicContact CB-CB 4.05Å; A961-V1120 HydrophobicContact CB-CG2 3.84Å
962	L	97	Very high	94.1	Very high	26 Å²	26	44.6 Å²	44.6	14%	0.136	29%	0.286	C	S	.	.			trans	-54	126.8	-178.4	-171.2	71.6	0	0	0	112.4	D959 S964 S965 G967 L1003	D959-L962 HydrophobicContact CB-CB 4.16Å; D959-L962 WeakPolarHBondContact O-CB 3.33Å; D959-L962 PolarHBondContact OD1-N 3Å; L962-S964 VanDerWaalsContact CD2-OG 3.23Å; L962-S964 WeakPolarHBondContact CD2-OG 3.39Å; L962-S964 WeakPolarHBondContact CG-OG 3.4Å; L962-S964 PolarHBondContact O-N 3.48Å; L962-S965 PolarHBondContact O-N 2.93Å; L962-S965 VanDerWaalsContact O-N 3.08Å; L962-G967 WeakPolarHBondContact O-CA 3.5Å; L962-G967 PolarHBondContact O-N 3.2Å; L962-L1003 WeakPolarHBondContact CD1-O 3.41Å
963	E	96.1	Very high	94.1	Very high	40 Å²	40	47.3 Å²	47.3	19%	0.187	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-63.1	-43.2	-176.2	-178.6	176.9	-152.6	0	0	112.4	A961 S965 G966 G967 R1000 L1003 Q1004	A961-E963 PolarHBondContact O-N 3.24Å; E963-S965 PolarHBondContact O-N 3.41Å; E963-S965 VanDerWaalsContact O-N 3.13Å; E963-G966 PolarHBondContact O-N 3.05Å; E963-G967 VanDerWaalsContact CA-O 3.32Å; E963-G967 WeakPolarHBondContact CA-O 3.29Å; E963-R1000 IonicContact OE1-CZ 3.89Å; E963-R1000 IonicContact OE1-NE 3.36Å; E963-R1000 PolarHBondContact OE1-NE 3.3Å; E963-R1000 IonicContact OE1-NH2 2.7Å; E963-R1000 PolarHBondContact OE1-NH2 2.88Å; E963-L1003 HydrophobicContact CB-CB 3.95Å; E963-L1003 PolarHBondContact N-O 3.36Å; E963-Q1004 WeakPolarHBondContact OE2-CG 3.46Å; E963-Q1004 PolarHBondContact OE2-NE2 3.33Å
964	S	93.2	Very high	94.2	Very high	98 Å²	98	51 Å²	51	69%	0.685	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-65.2	-16.3	177.9	57.9	0	0	0	0	113.6	L962	L962-S964 VanDerWaalsContact CD2-OG 3.23Å; L962-S964 WeakPolarHBondContact CD2-OG 3.39Å; L962-S964 WeakPolarHBondContact CG-OG 3.4Å; L962-S964 PolarHBondContact O-N 3.48Å
965	S	92.2	Very high	94.4	Very high	71 Å²	71	47 Å²	47	50%	0.497	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-94.1	5.6	173.1	-64.2	0	0	0	0	112.9	L962 E963 S1027	L962-S965 PolarHBondContact O-N 2.93Å; L962-S965 VanDerWaalsContact O-N 3.08Å; E963-S965 PolarHBondContact O-N 3.41Å; E963-S965 VanDerWaalsContact O-N 3.13Å; S965-S1027 WeakPolarHBondContact O-CB 3.15Å
966	G	94.7	Very high	94.5	Very high	47 Å²	47	53.2 Å²	53.2	49%	0.485	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	96	6.8	-178.2	0	0	0	0	0	114.7	E963	E963-G966 PolarHBondContact O-N 3.05Å
967	G	96.5	Very high	94.5	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.031	32%	0.315	C	S	.	.			trans	-64.3	150.5	164.5	0	0	0	0	0	110.8	L962 E963 R1025	L962-G967 WeakPolarHBondContact O-CA 3.5Å; L962-G967 PolarHBondContact O-N 3.2Å; E963-G967 VanDerWaalsContact CA-O 3.32Å; E963-G967 WeakPolarHBondContact CA-O 3.29Å; G967-R1025 CarbonylContact C-O 3.57Å; G967-R1025 VanDerWaalsContact CA-O 3.3Å; G967-R1025 WeakPolarHBondContact CA-O 3.4Å
968	S	97.3	Very high	94.5	Very high	44 Å²	44	50.2 Å²	50.2	31%	0.308	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	157.8	178.6	52.2	0	0	0	0	111.5	I1024 R1025	S968-I1024 CarbonylContact O-C 3.56Å; S968-I1024 WeakPolarHBondContact O-CA 3.37Å; S968-R1025 PolarHBondContact N-O 3.43Å; S968-R1025 PolarHBondContact O-N 3.48Å
969	I	96.4	Very high	94.1	Very high	35 Å²	35	48.1 Å²	48.1	18%	0.179	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.1	172.5	-64.7	-177.8	0	0	0	108.4	P999 R1000 I1002 L1003 I1023 I1024	I969-P999 HydrophobicContact CD1-CB 3.48Å; I969-P999 VanDerWaalsContact CD1-CB 3.48Å; I969-P999 WeakPolarHBondContact CD1-O 3.46Å; I969-P999 HydrophobicContact CG2-CB 4.21Å; I969-R1000 VanDerWaalsContact CD1-N 3.32Å; I969-I1002 HydrophobicContact CD1-CD1 4.12Å; I969-I1002 HydrophobicContact CD1-CG1 4.15Å; I969-L1003 HydrophobicContact CD1-CD1 4.29Å; I969-L1003 HydrophobicContact CD1-CG 4.39Å; I969-L1003 HydrophobicContact CG1-CD1 3.6Å; I969-L1003 HydrophobicContact CG1-CG 4.2Å; I969-I1023 WeakPolarHBondContact CA-O 3.37Å; I969-I1024 HydrophobicContact CG1-CG1 4.46Å
970	V	93.6	Very high	93.4	Very high	49 Å²	49	52.6 Å²	52.6	30%	0.297	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-40.7	179.3	177.9	0	0	0	0	110.3	I1023 R1025 E1065 F1098	V970-I1023 HydrophobicContact CB-CB 4.24Å; V970-I1023 HydrophobicContact CB-CG2 3.91Å; V970-I1023 HydrophobicContact CG1-CG2 4.48Å; V970-I1023 HydrophobicContact CG2-CG2 4.21Å; V970-I1023 PolarHBondContact N-O 3.03Å; V970-R1025 HydrophobicContact CG2-CB 3.74Å; V970-E1065 HydrophobicContact CG1-CB 3.92Å; V970-E1065 HydrophobicContact CG1-CG 3.62Å; V970-E1065 WeakPolarHBondContact CG1-OE2 3.45Å; V970-E1065 HydrophobicContact CG2-CG 4.44Å; V970-F1098 HydrophobicContact CG2-CD1 3.97Å; V970-F1098 HydrophobicContact CG2-CE1 3.82Å
971	G	92.7	Very high	92.3	Very high	26 Å²	26	55.8 Å²	55.8	27%	0.268	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	166.9	179.5	0	0	0	0	0	112.7	I1023	G971-I1023 PolarHBondContact O-N 3.18Å
972	T	94.3	Very high	91.4	Very high	32 Å²	32	57 Å²	57	20%	0.196	36%	0.358	C	S	.	.			trans	-114.7	17.5	-177.2	56.9	0	0	0	0	113.5	C974 T975 P999 W1013 Q1021	T972-C974 PolarHBondContact O-N 3.39Å; T972-C974 VanDerWaalsContact O-N 3.17Å; T972-T975 VanDerWaalsContact O-CB 3.29Å; T972-T975 WeakPolarHBondContact O-CB 3.21Å; T972-T975 PolarHBondContact O-N 3.4Å; T972-T975 PolarHBondContact O-OG1 3.37Å; T972-T975 PolarHBondContact OG1-O 3.1Å; T972-P999 HydrophobicContact CG2-CB 3.78Å; T972-P999 HydrophobicContact CG2-CG 3.43Å; T972-P999 VanDerWaalsContact CG2-CG 3.43Å; T972-W1013 HydrophobicContact CG2-CH2 3.82Å; T972-W1013 HydrophobicContact CG2-CZ2 3.71Å; T972-Q1021 CarbonylContact C-O 3.59Å; T972-Q1021 VanDerWaalsContact CA-O 3.27Å; T972-Q1021 WeakPolarHBondContact CA-O 3.39Å; T972-Q1021 VanDerWaalsContact O-O 3.1Å
973	R	91	Very high	90.6	Very high	98 Å²	98	59.2 Å²	59.2	37%	0.37	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	-120.5	-176	-58.3	-74.6	-161	-179.3	-4.1	110.6	Q1021 I1023 D1067 E1100	R973-Q1021 HydrophobicContact CB-CB 4.31Å; R973-Q1021 HydrophobicContact CG-CB 4.23Å; R973-I1023 HydrophobicContact CG-CD1 4.42Å; R973-D1067 PolarHBondContact NH2-O 3.46Å; R973-E1100 IonicContact CZ-OE1 2.76Å; R973-E1100 IonicContact NE-OE1 3.96Å; R973-E1100 PolarHBondContact NE-OE1 2.78Å; R973-E1100 IonicContact NH2-OE1 3.65Å; R973-E1100 PolarHBondContact NH2-OE1 2.89Å
974	C	90.1	Very high	89.9	Confident	127 Å²	127	62.1 Å²	62.1	86%	0.858	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	9.5	178.6	-61.2	0	0	0	0	113.6	T972	T972-C974 PolarHBondContact O-N 3.39Å; T972-C974 VanDerWaalsContact O-N 3.17Å
975	T	95	Very high	89.3	Confident	15 Å²	15	62.6 Å²	62.6	9%	0.092	38%	0.381	C	S	.	.			trans	-85.5	125	-176.4	-19.7	0	0	0	0	111.6	T972 W1013 F1015 Q1021	T972-T975 VanDerWaalsContact O-CB 3.29Å; T972-T975 WeakPolarHBondContact O-CB 3.21Å; T972-T975 PolarHBondContact O-N 3.4Å; T972-T975 PolarHBondContact O-OG1 3.37Å; T972-T975 PolarHBondContact OG1-O 3.1Å; T975-W1013 HydrophobicContact CG2-CH2 4.47Å; T975-F1015 HydrophobicContact CG2-CB 3.92Å; T975-F1015 HydrophobicContact CG2-CD2 3.7Å; T975-F1015 HydrophobicContact CG2-CE2 4.4Å; T975-F1015 HydrophobicContact CG2-CG 3.83Å; T975-Q1021 PolarHBondContact OG1-N 3.49Å; T975-Q1021 PolarHBondContact OG1-O 3.39Å
976	K	93.1	Very high	88.8	Confident	158 Å²	158	62.4 Å²	62.4	69%	0.687	38%	0.38	S	S	*	.			trans	-105.7	132.5	-178.7	-61.5	-177.4	-179.4	-178.4	0	110.8	F1015 H1016	K976-F1015 VanDerWaalsContact O-CA 3.3Å; K976-F1015 WeakPolarHBondContact O-CA 3.48Å; K976-F1015 WeakPolarHBondContact O-CB 3.34Å; K976-H1016 PolarHBondContact O-N 2.97Å
977	T	93.8	Very high	88.3	Confident	37 Å²	37	63.7 Å²	63.7	23%	0.227	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-61.7	134.1	173.9	-56.7	0	0	0	0	110.4	T979 N997 W1013 P1014	T977-T979 HydrophobicContact CG2-CG2 4.43Å; T977-N997 WeakPolarHBondContact CG2-O 3.32Å; T977-W1013 PolarHBondContact OG1-NE1 2.99Å; T977-W1013 VanDerWaalsContact OG1-NE1 3.11Å; T977-P1014 CarbonylContact C-O 3.57Å; T977-P1014 WeakPolarHBondContact CA-O 3.31Å; T977-P1014 WeakPolarHBondContact CG2-O 3.41Å
978	Y	92.5	Very high	87.8	Confident	21 Å²	21	72.1 Å²	72.1	8%	0.082	41%	0.411	C	S	.	.			trans	-83.2	113.6	176.1	-174.6	-103.4	0	0	0	109.3	E980 P1014 H1016 K1111 Y1112	Y978-E980 HydrophobicContact CD1-CB 4.48Å; Y978-E980 WeakPolarHBondContact CD1-O 3.37Å; Y978-E980 HydrophobicContact CE1-CB 3.8Å; Y978-E980 WeakPolarHBondContact CE1-O 3.35Å; Y978-E980 HydrophobicContact CE2-CB 3.88Å; Y978-E980 HydrophobicContact CE2-CG 4.21Å; Y978-E980 WeakPolarHBondContact CE2-OE2 3.37Å; Y978-E980 VanDerWaalsContact CZ-CB 3.43Å; Y978-E980 VanDerWaalsContact OH-CB 3.31Å; Y978-E980 WeakPolarHBondContact OH-CB 3.13Å; Y978-E980 PolarHBondContact OH-OE2 2.84Å; Y978-P1014 PolarHBondContact N-O 2.89Å; Y978-P1014 WeakPolarHBondContact O-CG 3.46Å; Y978-H1016 AromaticContact CD2-CD2 3.92Å; Y978-H1016 AromaticContact CD2-CE1 3.29Å; Y978-H1016 WeakPolarHBondContact CD2-CE1 3.45Å; Y978-H1016 AromaticContact CD2-CG 3.85Å; Y978-H1016 AromaticContact CD2-ND1 3.46Å; Y978-H1016 WeakPolarHBondContact CD2-ND1 3.39Å; Y978-H1016 AromaticContact CD2-NE2 3.58Å; Y978-H1016 AromaticContact CE2-CE1 3.7Å; Y978-H1016 AromaticContact CE2-ND1 3.93Å; Y978-K1111 HydrophobicContact CE2-CB 4.2Å; Y978-Y1112 AromaticContact CD1-CD1 3.52Å; Y978-Y1112 HydrophobicContact CD1-CD1 3.52Å; Y978-Y1112 HydrophobicContact CD1-CE1 4.22Å; Y978-Y1112 AromaticContact CD1-CG 3.76Å; Y978-Y1112 HydrophobicContact CD1-CG 3.76Å; Y978-Y1112 AromaticContact CE1-CD1 3.27Å; Y978-Y1112 HydrophobicContact CE1-CD1 3.27Å; Y978-Y1112 AromaticContact CE1-CE1 3.79Å; Y978-Y1112 HydrophobicContact CE1-CE1 3.79Å; Y978-Y1112 HydrophobicContact CE1-CG 4.01Å; Y978-Y1112 HydrophobicContact CE2-CD1 4.44Å; Y978-Y1112 HydrophobicContact CG-CD1 4.17Å; Y978-Y1112 HydrophobicContact CG-CG 4.11Å; Y978-Y1112 AromaticContact CZ-CD1 3.81Å
979	T	85.8	Confident	87.1	Confident	51 Å²	51	73.1 Å²	73.1	31%	0.313	43%	0.428	S	S	.	.			trans	-106.6	-6.9	-175.1	63.2	0	0	0	0	113.4	T977 G981 A982 S996	T977-T979 HydrophobicContact CG2-CG2 4.43Å; T979-G981 PolarHBondContact O-N 2.96Å; T979-A982 WeakPolarHBondContact O-CB 3.34Å; T979-A982 PolarHBondContact O-N 3.09Å; T979-S996 WeakPolarHBondContact CG2-OG 3.49Å
980	E	81.5	Confident	86.4	Confident	107 Å²	107	77 Å²	77	50%	0.5	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	125.3	174.8	-66.8	170.6	-165	0	0	109.6	Y978 A982	Y978-E980 HydrophobicContact CD1-CB 4.48Å; Y978-E980 WeakPolarHBondContact CD1-O 3.37Å; Y978-E980 HydrophobicContact CE1-CB 3.8Å; Y978-E980 WeakPolarHBondContact CE1-O 3.35Å; Y978-E980 HydrophobicContact CE2-CB 3.88Å; Y978-E980 HydrophobicContact CE2-CG 4.21Å; Y978-E980 WeakPolarHBondContact CE2-OE2 3.37Å; Y978-E980 VanDerWaalsContact CZ-CB 3.43Å; Y978-E980 VanDerWaalsContact OH-CB 3.31Å; Y978-E980 WeakPolarHBondContact OH-CB 3.13Å; Y978-E980 PolarHBondContact OH-OE2 2.84Å; E980-A982 VanDerWaalsContact C-N 3.28Å; E980-A982 PolarHBondContact O-N 3.1Å
981	G	75	Confident	85.6	Confident	87 Å²	87	78.7 Å²	78.7	90%	0.897	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	1.9	-174	0	0	0	0	0	115	T979	T979-G981 PolarHBondContact O-N 2.96Å
982	A	78.5	Confident	85	Confident	26 Å²	26	82.5 Å²	82.5	22%	0.215	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-63.6	156.2	170.7	0	0	0	0	0	111.7	T979 E980 R994	T979-A982 WeakPolarHBondContact O-CB 3.34Å; T979-A982 PolarHBondContact O-N 3.09Å; E980-A982 VanDerWaalsContact C-N 3.28Å; E980-A982 PolarHBondContact O-N 3.1Å; A982-R994 HydrophobicContact CB-CB 4.5Å
983	S	79.9	Confident	84.3	Confident	72 Å²	72	83.4 Å²	83.4	50%	0.503	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	141.6	178.9	71.5	0	0	0	0	111.1	R994 L995	S983-R994 CarbonylContact O-C 3.51Å; S983-R994 WeakPolarHBondContact O-CA 3.48Å; S983-L995 PolarHBondContact N-O 2.86Å; S983-L995 PolarHBondContact O-N 3.08Å; S983-L995 PolarHBondContact OG-O 3.35Å; S983-L995 VanDerWaalsContact OG-O 3.04Å
984	L	80.6	Confident	83.8	Confident	100 Å²	100	87 Å²	87	52%	0.524	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	118.4	177.5	-68.7	167.9	0	0	0	109.2	S986 P991 R994	L984-S986 PolarHBondContact O-N 3.42Å; L984-P991 HydrophobicContact CB-CB 4.33Å; L984-P991 HydrophobicContact CD1-CB 4.29Å; L984-P991 HydrophobicContact CD2-CB 4.07Å; L984-P991 HydrophobicContact CG-CB 4.48Å; L984-R994 HydrophobicContact CD2-CG 3.52Å
985	F	81.1	Confident	83.2	Confident	109 Å²	109	86.3 Å²	86.3	48%	0.478	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	106.8	165.6	-178.5	-106.8	0	0	0	107.8	I987 L992 A993	F985-I987 HydrophobicContact CE1-CD1 3.66Å; F985-I987 HydrophobicContact CE1-CG1 3.77Å; F985-I987 HydrophobicContact CZ-CD1 3.77Å; F985-I987 HydrophobicContact CZ-CG1 3.86Å; F985-L992 HydrophobicContact CD1-CB 4.18Å; F985-L992 HydrophobicContact CD1-CD1 4.45Å; F985-L992 HydrophobicContact CE1-CD1 4.19Å; F985-L992 PolarHBondContact O-N 3.44Å; F985-A993 PolarHBondContact N-O 3.2Å; F985-A993 PolarHBondContact O-N 3.1Å
986	S	82.5	Confident	82.7	Confident	67 Å²	67	87.4 Å²	87.4	47%	0.469	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.6	-179.5	62.5	0	0	0	0	111.2	L984 L990	L984-S986 PolarHBondContact O-N 3.42Å; S986-L990 WeakPolarHBondContact CA-O 3.35Å; S986-L990 WeakPolarHBondContact CB-O 3.18Å
987	I	83.7	Confident	82.6	Confident	73 Å²	73	82 Å²	82	37%	0.374	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.4	172.6	-55.5	-175.7	0	0	0	106.8	F985 G989 L990 L992	F985-I987 HydrophobicContact CE1-CD1 3.66Å; F985-I987 HydrophobicContact CE1-CG1 3.77Å; F985-I987 HydrophobicContact CZ-CD1 3.77Å; F985-I987 HydrophobicContact CZ-CG1 3.86Å; I987-G989 PolarHBondContact O-N 2.99Å; I987-G989 VanDerWaalsContact O-N 3.16Å; I987-L990 PolarHBondContact N-O 2.95Å; I987-L990 VanDerWaalsContact N-O 3.11Å; I987-L990 PolarHBondContact O-N 3.45Å; I987-L992 HydrophobicContact CB-CD1 3.92Å; I987-L992 HydrophobicContact CD1-CD1 3.51Å; I987-L992 HydrophobicContact CG1-CD1 3.61Å; I987-L992 HydrophobicContact CG1-CG 4.47Å
988	F	85.4	Confident	82.5	Confident	180 Å²	180	82.5 Å²	82.5	79%	0.789	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	31.4	-174.3	-55.1	-67.8	0	0	0	113.9	L513 L990	L513-F988 HydrophobicContact CD1-CE2 4.27Å; L513-F988 HydrophobicContact CD1-CZ 3.96Å; F988-L990 VanDerWaalsContact C-N 3.28Å; F988-L990 PolarHBondContact O-N 3.16Å
989	G	82.5	Confident	82.6	Confident	65 Å²	65	82.6 Å²	82.6	67%	0.67	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	1.2	-179.4	0	0	0	0	0	115.3	I987	I987-G989 PolarHBondContact O-N 2.99Å; I987-G989 VanDerWaalsContact O-N 3.16Å
990	L	81.4	Confident	83.1	Confident	117 Å²	117	86.6 Å²	86.6	61%	0.613	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.3	174.8	-64.2	170.8	0	0	0	109.5	S986 I987 F988 L992	S986-L990 WeakPolarHBondContact CA-O 3.35Å; S986-L990 WeakPolarHBondContact CB-O 3.18Å; I987-L990 PolarHBondContact N-O 2.95Å; I987-L990 VanDerWaalsContact N-O 3.11Å; I987-L990 PolarHBondContact O-N 3.45Å; F988-L990 VanDerWaalsContact C-N 3.28Å; F988-L990 PolarHBondContact O-N 3.16Å; L990-L992 PolarHBondContact O-N 3Å
991	P	77.6	Confident	83.7	Confident	84 Å²	84	82 Å²	82	55%	0.545	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	115.3	176.4	28.2	-32.2	0	0	0	109.6	L984	L984-P991 HydrophobicContact CB-CB 4.33Å; L984-P991 HydrophobicContact CD1-CB 4.29Å; L984-P991 HydrophobicContact CD2-CB 4.07Å; L984-P991 HydrophobicContact CG-CB 4.48Å
992	L	80.4	Confident	84.7	Confident	106 Å²	106	77.9 Å²	77.9	56%	0.555	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	-33.7	-179	-59.6	-174.5	0	0	0	112.3	F985 I987 L990	F985-L992 HydrophobicContact CD1-CB 4.18Å; F985-L992 HydrophobicContact CD1-CD1 4.45Å; F985-L992 HydrophobicContact CE1-CD1 4.19Å; F985-L992 PolarHBondContact O-N 3.44Å; I987-L992 HydrophobicContact CB-CD1 3.92Å; I987-L992 HydrophobicContact CD1-CD1 3.51Å; I987-L992 HydrophobicContact CG1-CD1 3.61Å; I987-L992 HydrophobicContact CG1-CG 4.47Å; L990-L992 PolarHBondContact O-N 3Å
993	A	80	Confident	85.6	Confident	52 Å²	52	76.7 Å²	76.7	43%	0.43	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	154.6	178.6	0	0	0	0	0	111.3	F985	F985-A993 PolarHBondContact N-O 3.2Å; F985-A993 PolarHBondContact O-N 3.1Å
994	R	79.1	Confident	86.3	Confident	172 Å²	172	76.8 Å²	76.8	65%	0.649	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	119	164.3	-72	-178.5	-165.3	109.6	-0.4	108	A982 S983 L984 S996	A982-R994 HydrophobicContact CB-CB 4.5Å; S983-R994 CarbonylContact O-C 3.51Å; S983-R994 WeakPolarHBondContact O-CA 3.48Å; L984-R994 HydrophobicContact CD2-CG 3.52Å; R994-S996 PolarHBondContact O-N 3.33Å
995	L	78.1	Confident	86.8	Confident	114 Å²	114	76 Å²	76	60%	0.597	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	92.1	175.5	-166.1	75.3	0	0	0	107.8	S983	S983-L995 PolarHBondContact N-O 2.86Å; S983-L995 PolarHBondContact O-N 3.08Å; S983-L995 PolarHBondContact OG-O 3.35Å; S983-L995 VanDerWaalsContact OG-O 3.04Å
996	S	84.5	Confident	87	Confident	38 Å²	38	72.2 Å²	72.2	27%	0.266	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-95.2	150.1	170.6	58.5	0	0	0	0	110.4	T979 R994 S998	T979-S996 WeakPolarHBondContact CG2-OG 3.49Å; R994-S996 PolarHBondContact O-N 3.33Å; S996-S998 PolarHBondContact O-N 3.47Å
997	N	90.5	Very high	87.1	Confident	43 Å²	43	70.3 Å²	70.3	23%	0.23	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-71.8	124.1	175.1	-69.8	-25.3	0	0	0	110.9	T977 T1001 G1010 C1012	T977-N997 WeakPolarHBondContact CG2-O 3.32Å; N997-T1001 HydrophobicContact CB-CG2 4.31Å; N997-T1001 WeakPolarHBondContact CB-OG1 3.32Å; N997-G1010 PolarHBondContact ND2-O 3.05Å; N997-C1012 WeakPolarHBondContact CB-O 3.43Å; N997-C1012 PolarHBondContact ND2-N 2.91Å; N997-C1012 PolarHBondContact ND2-O 3.07Å
998	S	91.9	Very high	87.4	Confident	49 Å²	49	71.5 Å²	71.5	34%	0.343	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-67.4	163.3	172.3	75.6	0	0	0	0	110.5	S996 R1000 T1001	S996-S998 PolarHBondContact O-N 3.47Å; S998-R1000 PolarHBondContact O-N 3.44Å; S998-R1000 WeakPolarHBondContact OG-CB 3.48Å; S998-R1000 PolarHBondContact OG-N 2.9Å; S998-T1001 WeakPolarHBondContact O-CB 3.44Å; S998-T1001 PolarHBondContact O-N 3.47Å; S998-T1001 VanDerWaalsContact O-N 3.11Å; S998-T1001 PolarHBondContact O-OG1 3.39Å; S998-T1001 VanDerWaalsContact O-OG1 3.13Å
999	P	95.4	Very high	87.6	Confident	22 Å²	22	66.2 Å²	66.2	14%	0.143	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-49.8	-30.9	174.2	-24.9	32.2	0	0	0	113.1	I969 T972 T1001 I1002 W1013	I969-P999 HydrophobicContact CD1-CB 3.48Å; I969-P999 VanDerWaalsContact CD1-CB 3.48Å; I969-P999 WeakPolarHBondContact CD1-O 3.46Å; I969-P999 HydrophobicContact CG2-CB 4.21Å; T972-P999 HydrophobicContact CG2-CB 3.78Å; T972-P999 HydrophobicContact CG2-CG 3.43Å; T972-P999 VanDerWaalsContact CG2-CG 3.43Å; P999-T1001 PolarHBondContact O-N 3.16Å; P999-I1002 WeakPolarHBondContact O-CG1 3.31Å; P999-I1002 PolarHBondContact O-N 3.22Å; P999-I1002 VanDerWaalsContact O-N 3.1Å; P999-W1013 HydrophobicContact CB-CD2 3.98Å; P999-W1013 HydrophobicContact CB-CE3 4.41Å; P999-W1013 HydrophobicContact CB-CG 4.34Å; P999-W1013 HydrophobicContact CB-CZ2 4.11Å; P999-W1013 HydrophobicContact CG-CD2 4.3Å; P999-W1013 HydrophobicContact CG-CZ2 3.87Å
1000	R	95.4	Very high	87.8	Confident	135 Å²	135	65.3 Å²	65.3	51%	0.509	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-55.4	-27.7	-176.6	-62.6	168.4	62.9	-176.4	0.5	112.7	E963 I969 S998 I1002 L1003	E963-R1000 IonicContact OE1-CZ 3.89Å; E963-R1000 IonicContact OE1-NE 3.36Å; E963-R1000 PolarHBondContact OE1-NE 3.3Å; E963-R1000 IonicContact OE1-NH2 2.7Å; E963-R1000 PolarHBondContact OE1-NH2 2.88Å; I969-R1000 VanDerWaalsContact CD1-N 3.32Å; S998-R1000 PolarHBondContact O-N 3.44Å; S998-R1000 WeakPolarHBondContact OG-CB 3.48Å; S998-R1000 PolarHBondContact OG-N 2.9Å; R1000-I1002 PolarHBondContact O-N 3.44Å; R1000-I1002 VanDerWaalsContact O-N 3.15Å; R1000-L1003 PolarHBondContact O-N 2.95Å
1001	T	94.6	Very high	88.2	Confident	12 Å²	12	62.8 Å²	62.8	7%	0.074	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-55.8	-31.4	179.1	-57	0	0	0	0	112.6	N997 S998 P999 L1003 Q1004 D1011	N997-T1001 HydrophobicContact CB-CG2 4.31Å; N997-T1001 WeakPolarHBondContact CB-OG1 3.32Å; S998-T1001 WeakPolarHBondContact O-CB 3.44Å; S998-T1001 PolarHBondContact O-N 3.47Å; S998-T1001 VanDerWaalsContact O-N 3.11Å; S998-T1001 PolarHBondContact O-OG1 3.39Å; S998-T1001 VanDerWaalsContact O-OG1 3.13Å; P999-T1001 PolarHBondContact O-N 3.16Å; T1001-L1003 PolarHBondContact O-N 3.02Å; T1001-L1003 VanDerWaalsContact O-N 3.13Å; T1001-Q1004 PolarHBondContact O-N 3.24Å; T1001-Q1004 VanDerWaalsContact O-N 3.08Å; T1001-D1011 WeakPolarHBondContact CG2-O 3.39Å
1002	I	96.3	Very high	88.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-66.2	-16.9	178.5	76.8	-171.6	0	0	0	113.9	I969 P999 R1000 W1013 A1022 I1024 I1115 Y1116 R1117 F1118	I969-I1002 HydrophobicContact CD1-CD1 4.12Å; I969-I1002 HydrophobicContact CD1-CG1 4.15Å; P999-I1002 WeakPolarHBondContact O-CG1 3.31Å; P999-I1002 PolarHBondContact O-N 3.22Å; P999-I1002 VanDerWaalsContact O-N 3.1Å; R1000-I1002 PolarHBondContact O-N 3.44Å; R1000-I1002 VanDerWaalsContact O-N 3.15Å; I1002-W1013 HydrophobicContact CD1-CE3 4.3Å; I1002-W1013 HydrophobicContact CG2-CB 3.51Å; I1002-W1013 HydrophobicContact CG2-CD2 4.47Å; I1002-W1013 HydrophobicContact CG2-CE3 3.96Å; I1002-W1013 HydrophobicContact CG2-CG 4.36Å; I1002-A1022 HydrophobicContact CD1-CB 4.28Å; I1002-I1024 HydrophobicContact CD1-CD1 4.34Å; I1002-I1115 HydrophobicContact CB-CG2 4.09Å; I1002-I1115 HydrophobicContact CG2-CB 3.79Å; I1002-I1115 HydrophobicContact CG2-CG2 3.69Å; I1002-Y1116 WeakPolarHBondContact CA-O 3.32Å; I1002-R1117 WeakPolarHBondContact O-CA 3.44Å; I1002-F1118 PolarHBondContact O-N 3.14Å
1003	L	96.8	Very high	89.6	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-103.6	2.5	179.1	-55.6	-174.6	0	0	0	112.4	A961 L962 E963 I969 R1000 T1001 I1024	A961-L1003 HydrophobicContact CB-CD2 3.95Å; A961-L1003 WeakPolarHBondContact O-CD1 3.19Å; A961-L1003 WeakPolarHBondContact O-CD2 3.21Å; L962-L1003 WeakPolarHBondContact CD1-O 3.41Å; E963-L1003 HydrophobicContact CB-CB 3.95Å; E963-L1003 PolarHBondContact N-O 3.36Å; I969-L1003 HydrophobicContact CD1-CD1 4.29Å; I969-L1003 HydrophobicContact CD1-CG 4.39Å; I969-L1003 HydrophobicContact CG1-CD1 3.6Å; I969-L1003 HydrophobicContact CG1-CG 4.2Å; R1000-L1003 PolarHBondContact O-N 2.95Å; T1001-L1003 PolarHBondContact O-N 3.02Å; T1001-L1003 VanDerWaalsContact O-N 3.13Å; L1003-I1024 HydrophobicContact CD1-CG1 4.49Å; L1003-I1024 HydrophobicContact CD1-CG2 3.91Å; L1003-I1024 HydrophobicContact CD2-CD1 3.98Å; L1003-I1024 HydrophobicContact CD2-CG1 4.25Å; L1003-I1024 HydrophobicContact CD2-CG2 4.06Å
1004	Q	95.3	Very high	90.4	Very high	74 Å²	74	52.7 Å²	52.7	35%	0.346	29%	0.291	S	S	.	.	S	Bend	trans	-96.3	152.5	178.9	-67.7	177.9	-0.9	0	0	110.3	E963 T1001 G1006 R1117	E963-Q1004 WeakPolarHBondContact OE2-CG 3.46Å; E963-Q1004 PolarHBondContact OE2-NE2 3.33Å; T1001-Q1004 PolarHBondContact O-N 3.24Å; T1001-Q1004 VanDerWaalsContact O-N 3.08Å; Q1004-G1006 VanDerWaalsContact C-N 3.27Å; Q1004-G1006 PolarHBondContact O-N 3.37Å; Q1004-R1117 WeakPolarHBondContact O-CD 3.17Å
1005	P	89.6	Confident	91.2	Very high	84 Å²	84	44.5 Å²	44.5	55%	0.545	26%	0.261	S	S	.	.	S	Bend	trans	-76.8	-7.8	-174.8	30.1	-35.5	0	0	0	114.7
1006	G	85.3	Confident	92	Very high	28 Å²	28	42.9 Å²	42.9	29%	0.289	25%	0.25	S	C	.	.			trans	-67.9	141	179.8	0	0	0	0	0	112.4	Q1004	Q1004-G1006 VanDerWaalsContact C-N 3.27Å; Q1004-G1006 PolarHBondContact O-N 3.37Å
1007	N	85.3	Confident	92.4	Very high	28 Å²	28	42.4 Å²	42.4	15%	0.15	25%	0.251	C	S	.	.			trans	-139.1	26.9	179.2	80.8	-26.5	0	0	0	113.4	R954 E1038	R954-N1007 PolarHBondContact NH1-ND2 2.96Å; R954-N1007 PolarHBondContact NH2-ND2 3.46Å; N1007-E1038 PolarHBondContact ND2-OE1 3.34Å
1008	N	90	Very high	92.6	Very high	98 Å²	98	42.8 Å²	42.8	52%	0.524	26%	0.257	S	S	.	.	S	Bend	trans	-75.5	153.3	179.3	-66.1	52.5	0	0	0	111.1	G1010 D1011 Y1116	N1008-G1010 PolarHBondContact O-N 2.99Å; N1008-G1010 VanDerWaalsContact O-N 3.13Å; N1008-D1011 WeakPolarHBondContact CB-OD2 3.39Å; N1008-D1011 WeakPolarHBondContact O-CB 3.5Å; N1008-D1011 PolarHBondContact O-N 3.05Å; N1008-Y1116 WeakPolarHBondContact O-CE1 3.39Å
1009	P	88.8	Confident	92.9	Very high	68 Å²	68	47.6 Å²	47.6	44%	0.442	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	121.4	175.4	-22.7	31.2	0	0	0	111.6	L1040 L1044	P1009-L1040 HydrophobicContact CB-CD1 4.31Å; P1009-L1040 HydrophobicContact CB-CD2 4.08Å; P1009-L1040 HydrophobicContact CG-CD1 3.88Å; P1009-L1040 HydrophobicContact CG-CD2 4.15Å; P1009-L1044 HydrophobicContact CG-CB 4.14Å
1010	G	87.1	Confident	92.9	Very high	46 Å²	46	46.7 Å²	46.7	47%	0.474	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.2	-22.2	-176.5	0	0	0	0	0	114.2	N997 N1008 C1012 Y1116	N997-G1010 PolarHBondContact ND2-O 3.05Å; N1008-G1010 PolarHBondContact O-N 2.99Å; N1008-G1010 VanDerWaalsContact O-N 3.13Å; G1010-C1012 PolarHBondContact O-N 3.11Å; G1010-Y1116 PolarHBondContact N-OH 3.26Å
1011	D	89.8	Confident	92.9	Very high	65 Å²	65	43.5 Å²	43.5	35%	0.348	26%	0.258	S	S	.	.			trans	-80.6	53.8	176.8	-67.8	-13.1	0	0	0	111.6	T1001 N1008	T1001-D1011 WeakPolarHBondContact CG2-O 3.39Å; N1008-D1011 WeakPolarHBondContact CB-OD2 3.39Å; N1008-D1011 WeakPolarHBondContact O-CB 3.5Å; N1008-D1011 PolarHBondContact O-N 3.05Å
1012	C	93.3	Very high	93	Very high	10 Å²	10	43 Å²	43	7%	0.068	25%	0.254	C	S	.	.	S	Bend	trans	-124.9	162.8	174.4	63	0	0	0	0	110	N997 G1010 P1014 C1114 I1115 Y1116	N997-C1012 WeakPolarHBondContact CB-O 3.43Å; N997-C1012 PolarHBondContact ND2-N 2.91Å; N997-C1012 PolarHBondContact ND2-O 3.07Å; G1010-C1012 PolarHBondContact O-N 3.11Å; C1012-P1014 WeakPolarHBondContact O-CD 3.16Å; C1012-C1114 HydrophobicContact CB-CB 3.94Å; C1012-C1114 WeakPolarHBondContact CB-SG 3.42Å; C1012-C1114 WeakPolarHBondContact SG-CB 3.35Å; C1012-C1114 CovalentContact SG-SG 2.02Å; C1012-C1114 PolarHBondContact SG-SG 3.29Å; C1012-I1115 CarbonylContact C-O 3.45Å; C1012-I1115 WeakPolarHBondContact CA-O 3.46Å; C1012-I1115 WeakPolarHBondContact CB-O 3.47Å; C1012-Y1116 HydrophobicContact CB-CD1 3.86Å; C1012-Y1116 HydrophobicContact CB-CD2 3.43Å; C1012-Y1116 VanDerWaalsContact CB-CD2 3.43Å; C1012-Y1116 HydrophobicContact CB-CE1 3.87Å; C1012-Y1116 HydrophobicContact CB-CE2 3.42Å; C1012-Y1116 VanDerWaalsContact CB-CE2 3.42Å; C1012-Y1116 HydrophobicContact CB-CG 3.63Å; C1012-Y1116 VanDerWaalsContact SG-CE2 3.57Å
1013	W	95.5	Very high	93.1	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	105.4	169.1	172.9	45.3	0	0	0	109.7	T972 T975 T977 P999 I1002 F1015 A1022 C1114 I1115	T972-W1013 HydrophobicContact CG2-CH2 3.82Å; T972-W1013 HydrophobicContact CG2-CZ2 3.71Å; T975-W1013 HydrophobicContact CG2-CH2 4.47Å; T977-W1013 PolarHBondContact OG1-NE1 2.99Å; T977-W1013 VanDerWaalsContact OG1-NE1 3.11Å; P999-W1013 HydrophobicContact CB-CD2 3.98Å; P999-W1013 HydrophobicContact CB-CE3 4.41Å; P999-W1013 HydrophobicContact CB-CG 4.34Å; P999-W1013 HydrophobicContact CB-CZ2 4.11Å; P999-W1013 HydrophobicContact CG-CD2 4.3Å; P999-W1013 HydrophobicContact CG-CZ2 3.87Å; I1002-W1013 HydrophobicContact CD1-CE3 4.3Å; I1002-W1013 HydrophobicContact CG2-CB 3.51Å; I1002-W1013 HydrophobicContact CG2-CD2 4.47Å; I1002-W1013 HydrophobicContact CG2-CE3 3.96Å; I1002-W1013 HydrophobicContact CG2-CG 4.36Å; W1013-F1015 HydrophobicContact CD2-CD1 4.3Å; W1013-F1015 HydrophobicContact CE3-CD1 4.13Å; W1013-F1015 HydrophobicContact CH2-CD1 4.18Å; W1013-F1015 HydrophobicContact CZ2-CB 4.08Å; W1013-F1015 HydrophobicContact CZ2-CD1 4.34Å; W1013-F1015 HydrophobicContact CZ3-CD1 4.06Å; W1013-F1015 HydrophobicContact CZ3-CE1 4.5Å; W1013-A1022 HydrophobicContact CH2-CB 4.08Å; W1013-A1022 HydrophobicContact CZ3-CB 3.82Å; W1013-C1114 WeakPolarHBondContact O-CA 3.5Å; W1013-I1115 HydrophobicContact CE3-CD1 4.11Å; W1013-I1115 HydrophobicContact CZ3-CD1 4.18Å; W1013-I1115 PolarHBondContact N-O 3.42Å; W1013-I1115 PolarHBondContact O-N 3.17Å; W1013-I1115 VanDerWaalsContact O-N 3.09Å
1014	P	94.8	Very high	93.1	Very high	18 Å²	18	43.2 Å²	43.2	12%	0.117	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	133.1	174.2	36.1	-36.9	0	0	0	109.7	T977 Y978 C1012 Y1112 T1113 C1114	T977-P1014 CarbonylContact C-O 3.57Å; T977-P1014 WeakPolarHBondContact CA-O 3.31Å; T977-P1014 WeakPolarHBondContact CG2-O 3.41Å; Y978-P1014 PolarHBondContact N-O 2.89Å; Y978-P1014 WeakPolarHBondContact O-CG 3.46Å; C1012-P1014 WeakPolarHBondContact O-CD 3.16Å; P1014-Y1112 HydrophobicContact CB-CD2 4.09Å; P1014-T1113 CarbonylContact C-O 3.52Å; P1014-T1113 WeakPolarHBondContact CA-O 3.04Å; P1014-C1114 VanDerWaalsContact CA-SG 3.53Å; P1014-C1114 VanDerWaalsContact CB-SG 3.58Å; P1014-C1114 VanDerWaalsContact N-SG 3.36Å
1015	F	96	Very high	93.2	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	154.5	172.6	63.6	-98.3	0	0	0	111.5	T975 K976 W1013 K1019 I1103 Y1112 T1113 I1115	T975-F1015 HydrophobicContact CG2-CB 3.92Å; T975-F1015 HydrophobicContact CG2-CD2 3.7Å; T975-F1015 HydrophobicContact CG2-CE2 4.4Å; T975-F1015 HydrophobicContact CG2-CG 3.83Å; K976-F1015 VanDerWaalsContact O-CA 3.3Å; K976-F1015 WeakPolarHBondContact O-CA 3.48Å; K976-F1015 WeakPolarHBondContact O-CB 3.34Å; W1013-F1015 HydrophobicContact CD2-CD1 4.3Å; W1013-F1015 HydrophobicContact CE3-CD1 4.13Å; W1013-F1015 HydrophobicContact CH2-CD1 4.18Å; W1013-F1015 HydrophobicContact CZ2-CB 4.08Å; W1013-F1015 HydrophobicContact CZ2-CD1 4.34Å; W1013-F1015 HydrophobicContact CZ3-CD1 4.06Å; W1013-F1015 HydrophobicContact CZ3-CE1 4.5Å; F1015-K1019 VanDerWaalsContact CE2-C 3.48Å; F1015-K1019 WeakPolarHBondContact CE2-O 3.23Å; F1015-I1103 HydrophobicContact CE1-CG1 4.28Å; F1015-I1103 HydrophobicContact CZ-CB 4.01Å; F1015-I1103 HydrophobicContact CZ-CG1 3.98Å; F1015-I1103 HydrophobicContact CZ-CG2 4.23Å; F1015-Y1112 CarbonylContact O-C 3.51Å; F1015-Y1112 WeakPolarHBondContact O-CA 3.42Å; F1015-Y1112 WeakPolarHBondContact O-CB 3.35Å; F1015-T1113 HydrophobicContact CE1-CG2 4.14Å; F1015-T1113 HydrophobicContact CE2-CG2 4.44Å; F1015-T1113 VanDerWaalsContact CZ-CB 3.46Å; F1015-T1113 HydrophobicContact CZ-CG2 3.75Å; F1015-T1113 PolarHBondContact N-O 2.92Å; F1015-T1113 PolarHBondContact O-N 3.11Å; F1015-I1115 HydrophobicContact CE1-CD1 3.8Å; F1015-I1115 HydrophobicContact CE1-CG1 4.07Å
1016	H	95	Very high	93.6	Very high	80 Å²	80	41 Å²	41	37%	0.37	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	135.2	-177.4	-77.7	-94.3	0	0	0	112.4	K976 Y978	K976-H1016 PolarHBondContact O-N 2.97Å; Y978-H1016 AromaticContact CD2-CD2 3.92Å; Y978-H1016 AromaticContact CD2-CE1 3.29Å; Y978-H1016 WeakPolarHBondContact CD2-CE1 3.45Å; Y978-H1016 AromaticContact CD2-CG 3.85Å; Y978-H1016 AromaticContact CD2-ND1 3.46Å; Y978-H1016 WeakPolarHBondContact CD2-ND1 3.39Å; Y978-H1016 AromaticContact CD2-NE2 3.58Å; Y978-H1016 AromaticContact CE2-CE1 3.7Å; Y978-H1016 AromaticContact CE2-ND1 3.93Å
1017	G	94	Very high	94.1	Very high	29 Å²	29	41.3 Å²	41.3	30%	0.299	23%	0.231	S	C	.	.	S	Bend	trans	78.9	-170.1	176.4	0	0	0	0	0	114.6	K1111 Y1112 T1113	G1017-K1111 PolarHBondContact N-O 2.95Å; G1017-Y1112 CarbonylContact O-C 3.59Å; G1017-T1113 PolarHBondContact O-N 3.15Å; G1017-T1113 PolarHBondContact O-OG1 2.73Å
1018	S	95.3	Very high	94.5	Very high	50 Å²	50	42 Å²	42	35%	0.35	24%	0.238	S	C	.	.	S	Bend	trans	-94.9	-11.6	-179	57.5	0	0	0	0	114.1	S1105 T1113	S1018-S1105 CarbonylContact O-C 3.34Å; S1018-S1105 WeakPolarHBondContact O-CA 3.46Å; S1018-T1113 WeakPolarHBondContact CA-OG1 3.37Å
1019	K	96.7	Very high	94.8	Very high	150 Å²	150	40.3 Å²	40.3	65%	0.652	23%	0.232	S	C	*	.			trans	-117	135.4	-177.2	-69.4	178.5	-178	-176.9	0	110.6	F1015 I1103 L1104	F1015-K1019 VanDerWaalsContact CE2-C 3.48Å; F1015-K1019 WeakPolarHBondContact CE2-O 3.23Å; K1019-I1103 VanDerWaalsContact CA-O 3.3Å; K1019-I1103 WeakPolarHBondContact CA-O 3.44Å; K1019-L1104 WeakPolarHBondContact CE-O 3.38Å; K1019-L1104 WeakPolarHBondContact CG-O 3.39Å
1020	G	95.9	Very high	95	Very high	4 Å²	4	37 Å²	37	4%	0.041	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	159.5	-178.8	0	0	0	0	0	114.2	V1102 I1103	G1020-V1102 CarbonylContact O-C 3.57Å; G1020-V1102 WeakPolarHBondContact O-CA 3.33Å; G1020-I1103 PolarHBondContact N-O 3.39Å; G1020-I1103 VanDerWaalsContact N-O 3.09Å; G1020-I1103 PolarHBondContact O-N 3.49Å
1021	Q	96	Very high	95.4	Very high	67 Å²	67	37.7 Å²	37.7	31%	0.313	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	139.4	-174	-58.9	-178.8	18.5	0	0	111.3	T972 R973 T975 L1101 V1102	T972-Q1021 CarbonylContact C-O 3.59Å; T972-Q1021 VanDerWaalsContact CA-O 3.27Å; T972-Q1021 WeakPolarHBondContact CA-O 3.39Å; T972-Q1021 VanDerWaalsContact O-O 3.1Å; R973-Q1021 HydrophobicContact CB-CB 4.31Å; R973-Q1021 HydrophobicContact CG-CB 4.23Å; T975-Q1021 PolarHBondContact OG1-N 3.49Å; T975-Q1021 PolarHBondContact OG1-O 3.39Å; Q1021-L1101 CarbonylContact C-O 3.6Å; Q1021-L1101 VanDerWaalsContact CA-O 3.27Å; Q1021-L1101 WeakPolarHBondContact CA-O 3.39Å; Q1021-V1102 HydrophobicContact CG-CB 4.34Å; Q1021-V1102 HydrophobicContact CG-CG1 4.03Å; Q1021-V1102 HydrophobicContact CG-CG2 4.05Å
1022	A	96.8	Very high	95.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	129	172.8	0	0	0	0	0	110.6	I1002 W1013 E1100 L1101	I1002-A1022 HydrophobicContact CD1-CB 4.28Å; W1013-A1022 HydrophobicContact CH2-CB 4.08Å; W1013-A1022 HydrophobicContact CZ3-CB 3.82Å; A1022-E1100 WeakPolarHBondContact O-CA 3.43Å; A1022-L1101 PolarHBondContact N-O 3.22Å; A1022-L1101 PolarHBondContact O-N 2.88Å
1023	I	97.5	Very high	95.7	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.036	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124	173.6	-57.2	172.7	0	0	0	108.5	I969 V970 G971 R973 L1062 E1100	I969-I1023 WeakPolarHBondContact CA-O 3.37Å; V970-I1023 HydrophobicContact CB-CB 4.24Å; V970-I1023 HydrophobicContact CB-CG2 3.91Å; V970-I1023 HydrophobicContact CG1-CG2 4.48Å; V970-I1023 HydrophobicContact CG2-CG2 4.21Å; V970-I1023 PolarHBondContact N-O 3.03Å; G971-I1023 PolarHBondContact O-N 3.18Å; R973-I1023 HydrophobicContact CG-CD1 4.42Å; I1023-L1062 HydrophobicContact CD1-CD1 4.31Å; I1023-L1062 HydrophobicContact CG1-CD1 4.13Å; I1023-L1062 HydrophobicContact CG2-CD1 3.84Å; I1023-E1100 HydrophobicContact CG1-CG 4.15Å
1024	I	98	Very high	95.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.6	-177.3	-60.6	159.1	0	0	0	108.3	A961 S968 I969 I1002 L1003 L1026 F1098 V1099 F1118	A961-I1024 HydrophobicContact CB-CG2 4.16Å; S968-I1024 CarbonylContact O-C 3.56Å; S968-I1024 WeakPolarHBondContact O-CA 3.37Å; I969-I1024 HydrophobicContact CG1-CG1 4.46Å; I1002-I1024 HydrophobicContact CD1-CD1 4.34Å; L1003-I1024 HydrophobicContact CD1-CG1 4.49Å; L1003-I1024 HydrophobicContact CD1-CG2 3.91Å; L1003-I1024 HydrophobicContact CD2-CD1 3.98Å; L1003-I1024 HydrophobicContact CD2-CG1 4.25Å; L1003-I1024 HydrophobicContact CD2-CG2 4.06Å; I1024-L1026 HydrophobicContact CG2-CD2 4.36Å; I1024-F1098 CarbonylContact O-C 3.56Å; I1024-F1098 WeakPolarHBondContact O-CA 3.15Å; I1024-V1099 PolarHBondContact N-O 3.23Å; I1024-V1099 PolarHBondContact O-N 2.89Å; I1024-F1118 HydrophobicContact CD1-CD1 3.53Å; I1024-F1118 HydrophobicContact CD1-CE1 3.87Å
1025	R	97.5	Very high	95.8	Very high	112 Å²	112	36.6 Å²	36.6	42%	0.423	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	121.4	166	176.8	178.9	163.4	172.1	-5.5	108.6	G967 S968 V970 Q1097 F1098	G967-R1025 CarbonylContact C-O 3.57Å; G967-R1025 VanDerWaalsContact CA-O 3.3Å; G967-R1025 WeakPolarHBondContact CA-O 3.4Å; S968-R1025 PolarHBondContact N-O 3.43Å; S968-R1025 PolarHBondContact O-N 3.48Å; V970-R1025 HydrophobicContact CG2-CB 3.74Å; R1025-Q1097 CarbonylContact C-O 3.6Å; R1025-Q1097 HydrophobicContact CG-CG 4.23Å; R1025-F1098 HydrophobicContact CB-CD1 3.82Å; R1025-F1098 HydrophobicContact CB-CE1 3.69Å; R1025-F1098 HydrophobicContact CG-CD1 4.19Å; R1025-F1098 HydrophobicContact CG-CE1 3.76Å; R1025-F1098 HydrophobicContact CG-CZ 4.3Å
1026	L	97.2	Very high	95.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	149.4	175	-55	-179.8	0	0	0	110.7	A961 I1024 S1028 I1030 Q1097 V1099 V1120	A961-L1026 HydrophobicContact CB-CD2 3.94Å; I1024-L1026 HydrophobicContact CG2-CD2 4.36Å; L1026-S1028 PolarHBondContact O-N 2.98Å; L1026-I1030 HydrophobicContact CD1-CD1 3.8Å; L1026-I1030 HydrophobicContact CD1-CG1 3.71Å; L1026-Q1097 WeakPolarHBondContact CB-O 3.49Å; L1026-Q1097 WeakPolarHBondContact CG-O 3.41Å; L1026-Q1097 PolarHBondContact N-O 2.8Å; L1026-Q1097 PolarHBondContact O-NE2 3.24Å; L1026-V1099 HydrophobicContact CD1-CG2 3.88Å; L1026-V1099 HydrophobicContact CD2-CG2 4.35Å; L1026-V1099 HydrophobicContact CG-CG2 4.18Å; L1026-V1120 HydrophobicContact CD1-CG1 4.12Å; L1026-V1120 HydrophobicContact CD2-CB 3.83Å; L1026-V1120 HydrophobicContact CD2-CG1 4.1Å; L1026-V1120 HydrophobicContact CD2-CG2 3.95Å
1027	S	95.6	Very high	96	Very high	33 Å²	33	32.9 Å²	32.9	23%	0.231	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	-28.8	176.9	50.1	0	0	0	0	113.7	Y960 S965	Y960-S1027 WeakPolarHBondContact CA-OG 3.07Å; Y960-S1027 PolarHBondContact O-N 3.39Å; Y960-S1027 PolarHBondContact O-OG 2.87Å; S965-S1027 WeakPolarHBondContact O-CB 3.15Å
1028	S	94.6	Very high	96.1	Very high	42 Å²	42	31.6 Å²	31.6	29%	0.294	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	155.2	175.3	-70.1	0	0	0	0	110.8	L1026 I1030	L1026-S1028 PolarHBondContact O-N 2.98Å; S1028-I1030 PolarHBondContact O-N 2.95Å
1029	P	94.7	Very high	96.2	Very high	63 Å²	63	29.4 Å²	29.4	41%	0.409	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	123.2	171.8	-18.3	31.9	0	0	0	111	S1095 Q1097	P1029-S1095 WeakPolarHBondContact CB-OG 3.29Å; P1029-S1095 PolarHBondContact O-OG 3.46Å; P1029-Q1097 HydrophobicContact CB-CB 4.45Å; P1029-Q1097 HydrophobicContact CG-CB 4.36Å
1030	I	94.7	Very high	96.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158.6	-176.3	63.4	173.1	0	0	0	112.5	Y960 L1026 S1028 I1032 S1095 I1096 V1120 N1123 M1124	Y960-I1030 HydrophobicContact CD1-CG2 3.69Å; Y960-I1030 HydrophobicContact CD2-CD1 3.52Å; Y960-I1030 HydrophobicContact CD2-CG2 4.13Å; Y960-I1030 HydrophobicContact CE1-CG2 3.64Å; Y960-I1030 HydrophobicContact CE2-CD1 4.19Å; Y960-I1030 HydrophobicContact CE2-CG2 4.1Å; Y960-I1030 HydrophobicContact CG-CD1 3.72Å; Y960-I1030 HydrophobicContact CG-CG2 3.92Å; L1026-I1030 HydrophobicContact CD1-CD1 3.8Å; L1026-I1030 HydrophobicContact CD1-CG1 3.71Å; S1028-I1030 PolarHBondContact O-N 2.95Å; I1030-I1032 HydrophobicContact CD1-CG1 4.2Å; I1030-I1032 HydrophobicContact CG1-CG1 4.06Å; I1030-S1095 PolarHBondContact N-OG 2.87Å; I1030-S1095 WeakPolarHBondContact O-CA 3.14Å; I1030-I1096 PolarHBondContact N-O 2.81Å; I1030-I1096 PolarHBondContact O-N 2.89Å; I1030-V1120 HydrophobicContact CD1-CG1 4.16Å; I1030-N1123 WeakPolarHBondContact CA-O 2.92Å; I1030-M1124 HydrophobicContact CG2-CG 3.88Å
1031	I	94.9	Very high	95.9	Very high	59 Å²	59	23.6 Å²	23.6	30%	0.303	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	111	161.5	-61.5	173.2	0	0	0	107	S1033 G1122 N1123 I1125	I1031-S1033 PolarHBondContact O-N 2.85Å; I1031-G1122 CarbonylContact O-C 3.41Å; I1031-G1122 WeakPolarHBondContact O-CA 3.22Å; I1031-N1123 PolarHBondContact N-O 3.5Å; I1031-N1123 PolarHBondContact O-N 3.48Å; I1031-I1125 HydrophobicContact CD1-CD1 3.93Å; I1031-I1125 HydrophobicContact CD1-CG1 3.86Å; I1031-I1125 HydrophobicContact CG1-CD1 3.96Å; I1031-I1125 HydrophobicContact CG1-CG1 3.9Å
1032	I	95.2	Very high	95.7	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.026	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	124.7	-174.6	-57.5	171.2	0	0	0	109.5	I1030 V1035 L1072 I1089 I1096 V1099 V1120 H1121	I1030-I1032 HydrophobicContact CD1-CG1 4.2Å; I1030-I1032 HydrophobicContact CG1-CG1 4.06Å; I1032-V1035 HydrophobicContact CG2-CG1 4.41Å; I1032-L1072 HydrophobicContact CD1-CD1 3.7Å; I1032-I1089 HydrophobicContact CG2-CD1 3.44Å; I1032-I1089 VanDerWaalsContact CG2-CD1 3.44Å; I1032-I1096 HydrophobicContact CD1-CB 4.32Å; I1032-I1096 HydrophobicContact CD1-CD1 3.87Å; I1032-I1096 HydrophobicContact CD1-CG2 4.47Å; I1032-I1096 HydrophobicContact CG1-CD1 4.45Å; I1032-V1099 HydrophobicContact CD1-CG2 3.52Å; I1032-V1120 HydrophobicContact CD1-CG1 4.12Å; I1032-V1120 HydrophobicContact CG1-CG1 4Å; I1032-V1120 HydrophobicContact CG2-CG1 3.88Å; I1032-H1121 WeakPolarHBondContact CA-O 3.44Å
1033	S	94.2	Very high	95.4	Very high	58 Å²	58	32.9 Å²	32.9	41%	0.406	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-43.6	176.7	58.4	0	0	0	0	112.1	I1031 I1089 H1121 G1122	I1031-S1033 PolarHBondContact O-N 2.85Å; S1033-I1089 PolarHBondContact O-N 3.01Å; S1033-H1121 PolarHBondContact N-O 2.89Å; S1033-H1121 PolarHBondContact OG-O 3.48Å; S1033-G1122 WeakPolarHBondContact OG-CA 3.2Å; S1033-G1122 PolarHBondContact OG-N 3.48Å
1034	S	96.2	Very high	95.1	Very high	9 Å²	9	36.8 Å²	36.8	6%	0.063	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	162.8	179.4	75.8	0	0	0	0	112.1	N1086 F1087 H1121	S1034-N1086 WeakPolarHBondContact CB-OD1 3.49Å; S1034-N1086 PolarHBondContact OG-OD1 2.93Å; S1034-F1087 VanDerWaalsContact CA-O 3.29Å; S1034-F1087 WeakPolarHBondContact CA-O 3.37Å; S1034-F1087 VanDerWaalsContact CB-O 3.28Å; S1034-F1087 WeakPolarHBondContact CB-O 3.49Å; S1034-H1121 PolarHBondContact N-O 3.19Å; S1034-H1121 WeakPolarHBondContact O-CB 3.37Å; S1034-H1121 PolarHBondContact O-N 2.85Å
1035	V	97.1	Very high	94.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.8	175.4	-72	0	0	0	0	109.5	I1032 V1059 F1075 N1086 F1087 I1089 F1118 R1119 V1120	I1032-V1035 HydrophobicContact CG2-CG1 4.41Å; V1035-V1059 HydrophobicContact CG1-CG1 4.35Å; V1035-V1059 HydrophobicContact CG2-CG2 4.08Å; V1035-F1075 HydrophobicContact CG2-CD2 4.35Å; V1035-F1075 HydrophobicContact CG2-CE2 3.96Å; V1035-N1086 PolarHBondContact O-OD1 2.88Å; V1035-F1087 HydrophobicContact CG2-CB 4.03Å; V1035-F1087 PolarHBondContact N-O 3.38Å; V1035-F1087 PolarHBondContact O-N 3.3Å; V1035-I1089 HydrophobicContact CB-CD1 4.28Å; V1035-I1089 HydrophobicContact CG1-CD1 3.54Å; V1035-I1089 HydrophobicContact CG2-CD1 3.95Å; V1035-I1089 HydrophobicContact CG2-CG1 4.37Å; V1035-F1118 HydrophobicContact CB-CE2 3.93Å; V1035-F1118 HydrophobicContact CB-CZ 4Å; V1035-F1118 HydrophobicContact CG1-CE2 4.3Å; V1035-F1118 HydrophobicContact CG1-CZ 3.85Å; V1035-F1118 HydrophobicContact CG2-CE2 4.47Å; V1035-R1119 CarbonylContact C-O 3.58Å; V1035-R1119 WeakPolarHBondContact CA-O 3.5Å; V1035-V1120 HydrophobicContact CG1-CG1 4.31Å; V1035-V1120 HydrophobicContact CG1-CG2 4.17Å
1036	T	97.8	Very high	94	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.3	178.9	-59.2	0	0	0	0	109.6	T955 I1084 Q1085 N1086 F1118 R1119 H1121	T955-T1036 HydrophobicContact CG2-CG2 4.27Å; T1036-I1084 HydrophobicContact CG2-CG2 3.44Å; T1036-I1084 VanDerWaalsContact CG2-CG2 3.44Å; T1036-Q1085 CarbonylContact C-O 3.55Å; T1036-Q1085 VanDerWaalsContact CA-O 3.26Å; T1036-Q1085 WeakPolarHBondContact CA-O 3.43Å; T1036-Q1085 WeakPolarHBondContact CG2-O 3.48Å; T1036-N1086 PolarHBondContact OG1-OD1 2.92Å; T1036-F1118 WeakPolarHBondContact O-CA 3.49Å; T1036-R1119 PolarHBondContact N-O 3.48Å; T1036-R1119 PolarHBondContact O-N 3.34Å; T1036-H1121 PolarHBondContact OG1-CD2 3.14Å; T1036-H1121 PolarHBondContact OG1-NE2 3.37Å
1037	L	97.4	Very high	93.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132	172	-169.2	65.6	0	0	0	109.3	P1054 F1057 Y1077 Q1085 F1087 I1115 F1118	L1037-P1054 HydrophobicContact CD2-CB 4.47Å; L1037-P1054 HydrophobicContact CD2-CG 3.74Å; L1037-F1057 HydrophobicContact CB-CZ 4.28Å; L1037-F1057 HydrophobicContact CD2-CD1 3.84Å; L1037-F1057 HydrophobicContact CD2-CE1 3.67Å; L1037-F1057 HydrophobicContact CD2-CG 4.42Å; L1037-F1057 HydrophobicContact CD2-CZ 4.11Å; L1037-Y1077 HydrophobicContact CB-CD2 4.27Å; L1037-Y1077 HydrophobicContact CD2-CD2 4Å; L1037-Y1077 HydrophobicContact CD2-CG 4.14Å; L1037-Y1077 HydrophobicContact CG-CD2 4.22Å; L1037-Q1085 PolarHBondContact N-O 3.35Å; L1037-Q1085 PolarHBondContact O-N 2.73Å; L1037-F1087 HydrophobicContact CB-CE2 4.13Å; L1037-I1115 HydrophobicContact CD1-CG2 4.08Å; L1037-F1118 HydrophobicContact CD1-CB 4.42Å; L1037-F1118 HydrophobicContact CD1-CD2 4.04Å
1038	E	96	Very high	92.9	Very high	3 Å²	3	44.2 Å²	44.2	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.4	176.7	174.2	175.4	-178.4	0	0	110.8	R954 N1007 P1083 I1084 Y1116 R1117 R1119	R954-E1038 IonicContact NH1-OE1 3.52Å; R954-E1038 PolarHBondContact NH1-OE1 3.36Å; N1007-E1038 PolarHBondContact ND2-OE1 3.34Å; E1038-P1083 VanDerWaalsContact CA-O 3.28Å; E1038-P1083 WeakPolarHBondContact CA-O 3.41Å; E1038-I1084 HydrophobicContact CB-CG1 4.13Å; E1038-I1084 HydrophobicContact CG-CG1 3.79Å; E1038-Y1116 WeakPolarHBondContact O-CB 3.47Å; E1038-R1117 HydrophobicContact CB-CB 4.14Å; E1038-R1117 PolarHBondContact N-O 3.29Å; E1038-R1117 PolarHBondContact O-N 2.72Å; E1038-R1119 IonicContact OE2-CZ 2.7Å; E1038-R1119 IonicContact OE2-NH1 3.58Å; E1038-R1119 PolarHBondContact OE2-NH1 3.47Å; E1038-R1119 IonicContact OE2-NH2 3.09Å; E1038-R1119 PolarHBondContact OE2-NH2 3.47Å
1039	H	95.8	Very high	92.7	Very high	4 Å²	4	50 Å²	50	2%	0.019	27%	0.266	C	S	.	.			trans	-126.8	167.5	167.6	-162.1	-85.2	0	0	0	110.3	A1053 Y1077 P1083 C1114 Y1116	H1039-A1053 HydrophobicContact CB-CB 4.46Å; H1039-A1053 VanDerWaalsContact CD2-CA 3.5Å; H1039-A1053 WeakPolarHBondContact CD2-CA 3.17Å; H1039-A1053 VanDerWaalsContact CD2-CB 3.46Å; H1039-A1053 WeakPolarHBondContact CD2-CB 3.35Å; H1039-A1053 WeakPolarHBondContact NE2-CA 3.4Å; H1039-Y1077 HydrophobicContact CB-CE1 3.97Å; H1039-Y1077 WeakPolarHBondContact CB-OH 3.32Å; H1039-P1083 PolarHBondContact N-O 2.94Å; H1039-P1083 VanDerWaalsContact N-O 3.14Å; H1039-P1083 WeakPolarHBondContact O-CB 3.46Å; H1039-C1114 PolarHBondContact CD2-O 3.01Å; H1039-C1114 VanDerWaalsContact CD2-O 3.28Å; H1039-C1114 PolarHBondContact NE2-O 3.45Å; H1039-Y1116 AromaticContact CD2-CD2 3.59Å; H1039-Y1116 AromaticContact CD2-CE2 3.95Å; H1039-Y1116 AromaticContact CE1-CE2 3.63Å; H1039-Y1116 AromaticContact CG-CD2 3.86Å; H1039-Y1116 AromaticContact NE2-CD2 3.71Å; H1039-Y1116 AromaticContact NE2-CE2 3.55Å
1040	L	94.6	Very high	92.6	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.042	25%	0.25	C	S	.	.			trans	-56.3	133.8	174.1	-166.9	73.1	0	0	0	111.8	P1009 L1044 A1045 L1050 Y1116	P1009-L1040 HydrophobicContact CB-CD1 4.31Å; P1009-L1040 HydrophobicContact CB-CD2 4.08Å; P1009-L1040 HydrophobicContact CG-CD1 3.88Å; P1009-L1040 HydrophobicContact CG-CD2 4.15Å; L1040-L1044 HydrophobicContact CD1-CB 3.95Å; L1040-L1044 HydrophobicContact CD1-CD1 4.23Å; L1040-L1044 HydrophobicContact CD2-CB 4.29Å; L1040-L1044 HydrophobicContact CG-CB 4.05Å; L1040-A1045 HydrophobicContact CD2-CB 4.33Å; L1040-L1050 WeakPolarHBondContact O-CD2 3.28Å; L1040-Y1116 HydrophobicContact CB-CD1 4.4Å; L1040-Y1116 HydrophobicContact CB-CD2 4.35Å; L1040-Y1116 HydrophobicContact CB-CE1 3.86Å; L1040-Y1116 HydrophobicContact CB-CE2 3.82Å; L1040-Y1116 HydrophobicContact CD1-CE1 3.88Å; L1040-Y1116 HydrophobicContact CG-CE1 4.37Å
1041	P	92.9	Very high	92.6	Very high	23 Å²	23	49 Å²	49	15%	0.149	26%	0.258	C	S	.	.			trans	-63.3	149.6	171.2	25.6	-34.2	0	0	0	112.1	E1043 L1044 A1045 P1083	P1041-E1043 WeakPolarHBondContact CB-OE2 3.43Å; P1041-E1043 PolarHBondContact O-N 3.41Å; P1041-L1044 HydrophobicContact CG-CB 4.07Å; P1041-L1044 HydrophobicContact CG-CD1 3.57Å; P1041-L1044 HydrophobicContact CG-CG 3.73Å; P1041-L1044 PolarHBondContact O-N 3.47Å; P1041-L1044 VanDerWaalsContact O-N 3.09Å; P1041-A1045 PolarHBondContact O-N 3.18Å; P1041-P1083 HydrophobicContact CB-CB 4.38Å; P1041-P1083 HydrophobicContact CB-CG 3.69Å
1042	R	91	Very high	92.6	Very high	101 Å²	101	47 Å²	47	38%	0.381	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-60.6	-34.1	-176.8	-172.8	173.2	-63.4	-92.8	5.7	112.4	L1044 A1045 G1048 L1050 V1079 N1080	R1042-L1044 PolarHBondContact O-N 3.07Å; R1042-A1045 PolarHBondContact O-N 3.06Å; R1042-G1048 PolarHBondContact NH1-O 3.34Å; R1042-L1050 HydrophobicContact CB-CD1 4.07Å; R1042-V1079 PolarHBondContact NH2-O 3.26Å; R1042-N1080 PolarHBondContact NH2-OD1 2.94Å
1043	E	90.5	Very high	92.7	Very high	162 Å²	162	46.7 Å²	46.7	76%	0.757	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-66.1	-22.9	-179.8	-58.8	75	-162.9	0	0	112.8	P1041	P1041-E1043 WeakPolarHBondContact CB-OE2 3.43Å; P1041-E1043 PolarHBondContact O-N 3.41Å
1044	L	90.4	Very high	92.8	Very high	89 Å²	89	44 Å²	44	47%	0.466	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-98.4	-5.5	178	-61.8	-176.8	0	0	0	113.2	P1009 L1040 P1041 R1042 P1046	P1009-L1044 HydrophobicContact CG-CB 4.14Å; L1040-L1044 HydrophobicContact CD1-CB 3.95Å; L1040-L1044 HydrophobicContact CD1-CD1 4.23Å; L1040-L1044 HydrophobicContact CD2-CB 4.29Å; L1040-L1044 HydrophobicContact CG-CB 4.05Å; P1041-L1044 HydrophobicContact CG-CB 4.07Å; P1041-L1044 HydrophobicContact CG-CD1 3.57Å; P1041-L1044 HydrophobicContact CG-CG 3.73Å; P1041-L1044 PolarHBondContact O-N 3.47Å; P1041-L1044 VanDerWaalsContact O-N 3.09Å; R1042-L1044 PolarHBondContact O-N 3.07Å; L1044-P1046 WeakPolarHBondContact O-CD 3.48Å
1045	A	89	Confident	92.9	Very high	14 Å²	14	49.4 Å²	49.4	12%	0.116	25%	0.247	C	C	.	.			trans	-78.6	122.4	178.5	0	0	0	0	0	110.3	L1040 P1041 R1042 N1047 G1048 L1050	L1040-A1045 HydrophobicContact CD2-CB 4.33Å; P1041-A1045 PolarHBondContact O-N 3.18Å; R1042-A1045 PolarHBondContact O-N 3.06Å; A1045-N1047 PolarHBondContact O-N 3.45Å; A1045-N1047 VanDerWaalsContact O-N 3.1Å; A1045-G1048 PolarHBondContact O-N 3Å; A1045-L1050 HydrophobicContact CB-CD2 3.92Å
1046	P	83.6	Confident	93	Very high	122 Å²	122	51.2 Å²	51.2	79%	0.792	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-37.2	-175.2	-28.7	34.4	0	0	0	114.6	L1044	L1044-P1046 WeakPolarHBondContact O-CD 3.48Å
1047	N	84.9	Confident	93	Very high	136 Å²	136	51.2 Å²	51.2	73%	0.727	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	6.5	-178.9	-57.7	-7.2	0	0	0	112.2	A1045 R1049	A1045-N1047 PolarHBondContact O-N 3.45Å; A1045-N1047 VanDerWaalsContact O-N 3.1Å; N1047-R1049 HydrophobicContact CB-CG 4.37Å; N1047-R1049 PolarHBondContact O-N 3.41Å; N1047-R1049 VanDerWaalsContact O-N 3.07Å
1048	G	86.2	Confident	92.9	Very high	29 Å²	29	52.2 Å²	52.2	30%	0.299	26%	0.262	S	S	.	.	S	Bend	trans	63.6	7	-171.7	0	0	0	0	0	115.3	R1042 A1045	R1042-G1048 PolarHBondContact NH1-O 3.34Å; A1045-G1048 PolarHBondContact O-N 3Å
1049	R	89.3	Confident	93	Very high	163 Å²	163	52 Å²	52	62%	0.615	26%	0.261	S	S	*	.			trans	-94.5	136.5	-179	-68.7	173.3	64.7	143.9	0.8	110.8	N1047 D1051	N1047-R1049 HydrophobicContact CB-CG 4.37Å; N1047-R1049 PolarHBondContact O-N 3.41Å; N1047-R1049 VanDerWaalsContact O-N 3.07Å; R1049-D1051 IonicContact CZ-OD2 3.76Å; R1049-D1051 IonicContact NE-OD2 3.66Å; R1049-D1051 PolarHBondContact NE-OD2 3.42Å; R1049-D1051 IonicContact NH2-OD2 2.96Å; R1049-D1051 PolarHBondContact NH2-OD2 3.31Å
1050	L	93.8	Very high	93	Very high	14 Å²	14	53.7 Å²	53.7	7%	0.073	27%	0.269	C	S	.	.			trans	-126.1	28.9	178	-58.9	177.3	0	0	0	110.9	L1040 R1042 A1045 S1052 A1053 V1079	L1040-L1050 WeakPolarHBondContact O-CD2 3.28Å; R1042-L1050 HydrophobicContact CB-CD1 4.07Å; A1045-L1050 HydrophobicContact CB-CD2 3.92Å; L1050-S1052 PolarHBondContact O-N 2.87Å; L1050-A1053 WeakPolarHBondContact O-CB 3.3Å; L1050-A1053 PolarHBondContact O-N 3.4Å; L1050-A1053 VanDerWaalsContact O-N 3.1Å; L1050-V1079 HydrophobicContact CB-CB 4.38Å; L1050-V1079 HydrophobicContact CB-CG1 4.09Å; L1050-V1079 HydrophobicContact CD1-CB 4.38Å
1051	D	94.4	Very high	93	Very high	30 Å²	30	53.5 Å²	53.5	16%	0.16	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-26	-179.2	49.8	-12.8	0	0	0	113.1	R1049 A1053 H1107 G1108 H1109	R1049-D1051 IonicContact CZ-OD2 3.76Å; R1049-D1051 IonicContact NE-OD2 3.66Å; R1049-D1051 PolarHBondContact NE-OD2 3.42Å; R1049-D1051 IonicContact NH2-OD2 2.96Å; R1049-D1051 PolarHBondContact NH2-OD2 3.31Å; D1051-A1053 PolarHBondContact O-N 2.89Å; D1051-H1107 CarbonylContact O-C 3.45Å; D1051-H1107 PolarHBondContact O-N 3.27Å; D1051-G1108 PolarHBondContact O-N 3.08Å; D1051-H1109 VanDerWaalsContact C-CB 3.46Å; D1051-H1109 HydrophobicContact CB-CB 4.08Å; D1051-H1109 VanDerWaalsContact O-CB 3.31Å; D1051-H1109 WeakPolarHBondContact O-CB 3.07Å; D1051-H1109 PolarHBondContact O-N 2.68Å; D1051-H1109 VanDerWaalsContact O-N 3.11Å; D1051-H1109 IonicContact OD1-CD2 3.39Å; D1051-H1109 IonicContact OD2-CD2 2.93Å
1052	S	94.6	Very high	93.1	Very high	15 Å²	15	52.5 Å²	52.5	11%	0.105	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.6	174.4	68	0	0	0	0	113.9	L1050 T1113 C1114	L1050-S1052 PolarHBondContact O-N 2.87Å; S1052-T1113 CarbonylContact O-C 3.51Å; S1052-T1113 WeakPolarHBondContact O-CA 3.31Å; S1052-T1113 WeakPolarHBondContact O-CG2 3.41Å; S1052-C1114 PolarHBondContact O-N 3.48Å
1053	A	96.9	Very high	93	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-66.5	143.5	-179.3	0	0	0	0	0	110.7	H1039 L1050 D1051 Y1077 V1079 N1106 H1107	H1039-A1053 HydrophobicContact CB-CB 4.46Å; H1039-A1053 VanDerWaalsContact CD2-CA 3.5Å; H1039-A1053 WeakPolarHBondContact CD2-CA 3.17Å; H1039-A1053 VanDerWaalsContact CD2-CB 3.46Å; H1039-A1053 WeakPolarHBondContact CD2-CB 3.35Å; H1039-A1053 WeakPolarHBondContact NE2-CA 3.4Å; L1050-A1053 WeakPolarHBondContact O-CB 3.3Å; L1050-A1053 PolarHBondContact O-N 3.4Å; L1050-A1053 VanDerWaalsContact O-N 3.1Å; D1051-A1053 PolarHBondContact O-N 2.89Å; A1053-Y1077 HydrophobicContact CB-CE1 4.31Å; A1053-V1079 HydrophobicContact CB-CG1 3.73Å; A1053-N1106 WeakPolarHBondContact O-CA 3.48Å; A1053-N1106 WeakPolarHBondContact O-CB 3.3Å; A1053-H1107 PolarHBondContact O-CD2 2.86Å; A1053-H1107 PolarHBondContact O-N 3.39Å
1054	P	97.5	Very high	92.9	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.013	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-62.3	146	169.5	29	-35.8	0	0	0	109.9	L1037 Y1077 I1103 H1107 T1113 C1114 I1115	L1037-P1054 HydrophobicContact CD2-CB 4.47Å; L1037-P1054 HydrophobicContact CD2-CG 3.74Å; P1054-Y1077 WeakPolarHBondContact O-CD1 3.28Å; P1054-I1103 HydrophobicContact CB-CD1 3.88Å; P1054-I1103 HydrophobicContact CB-CG1 4.38Å; P1054-I1103 HydrophobicContact CB-CG2 3.9Å; P1054-H1107 PolarHBondContact O-CD2 3.42Å; P1054-H1107 VanDerWaalsContact O-CD2 3.28Å; P1054-H1107 PolarHBondContact O-NE2 2.9Å; P1054-T1113 HydrophobicContact CB-CG2 4.14Å; P1054-C1114 WeakPolarHBondContact CD-O 3.38Å; P1054-I1115 HydrophobicContact CG-CG1 4.46Å
1055	R	97.8	Very high	92.7	Very high	122 Å²	122	49.3 Å²	49.3	46%	0.46	25%	0.254	S	S	.	.			trans	-110.6	-77.7	177.8	177.8	-177.7	171.2	171.1	2	109.4	T1076 Y1077 S1105	R1055-T1076 HydrophobicContact CG-CG2 3.97Å; R1055-T1076 CarbonylContact O-C 3.52Å; R1055-T1076 VanDerWaalsContact O-CA 3.31Å; R1055-T1076 WeakPolarHBondContact O-CA 3.49Å; R1055-Y1077 PolarHBondContact O-N 3.44Å; R1055-S1105 WeakPolarHBondContact CB-OG 3.38Å; R1055-S1105 PolarHBondContact N-O 3.41Å
1056	D	98.2	Very high	92.5	Very high	38 Å²	38	57.9 Å²	57.9	20%	0.203	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.2	-179.6	-52	-51.5	0	0	0	109.4	T1076 L1104 S1105	D1056-T1076 WeakPolarHBondContact OD1-CB 3.46Å; D1056-T1076 VanDerWaalsContact OD1-CG2 3.23Å; D1056-T1076 WeakPolarHBondContact OD1-CG2 3.45Å; D1056-T1076 PolarHBondContact OD1-OG1 2.92Å; D1056-L1104 HydrophobicContact CB-CB 4.13Å; D1056-L1104 HydrophobicContact CB-CD1 4.48Å; D1056-L1104 WeakPolarHBondContact O-CA 3.32Å; D1056-L1104 WeakPolarHBondContact O-CB 3.34Å; D1056-L1104 PolarHBondContact O-N 3.1Å; D1056-S1105 VanDerWaalsContact CB-OG 3.32Å; D1056-S1105 WeakPolarHBondContact CB-OG 3.28Å; D1056-S1105 VanDerWaalsContact CG-OG 3.24Å; D1056-S1105 PolarHBondContact N-OG 2.87Å; D1056-S1105 PolarHBondContact O-N 2.96Å; D1056-S1105 PolarHBondContact OD2-OG 2.84Å
1057	F	98.3	Very high	92.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.9	179.4	73	-82.4	0	0	0	112	L1037 V1059 E1074 F1075 F1087 L1101 V1102 I1103	L1037-F1057 HydrophobicContact CB-CZ 4.28Å; L1037-F1057 HydrophobicContact CD2-CD1 3.84Å; L1037-F1057 HydrophobicContact CD2-CE1 3.67Å; L1037-F1057 HydrophobicContact CD2-CG 4.42Å; L1037-F1057 HydrophobicContact CD2-CZ 4.11Å; F1057-V1059 HydrophobicContact CD2-CG2 4.08Å; F1057-V1059 HydrophobicContact CE2-CG2 3.97Å; F1057-E1074 WeakPolarHBondContact O-CA 3.49Å; F1057-F1075 HydrophobicContact CD1-CB 4.22Å; F1057-F1075 WeakPolarHBondContact CD1-O 3.35Å; F1057-F1075 HydrophobicContact CE1-CB 3.62Å; F1057-F1075 HydrophobicContact CE2-CB 4.03Å; F1057-F1075 AromaticContact CE2-CD2 3.8Å; F1057-F1075 HydrophobicContact CE2-CD2 3.8Å; F1057-F1075 HydrophobicContact CE2-CG 4.37Å; F1057-F1075 HydrophobicContact CZ-CB 3.52Å; F1057-F1075 HydrophobicContact CZ-CD2 4.01Å; F1057-F1075 HydrophobicContact CZ-CG 4.14Å; F1057-F1075 PolarHBondContact N-O 3.44Å; F1057-F1075 PolarHBondContact O-N 3.17Å; F1057-F1075 VanDerWaalsContact O-O 3.1Å; F1057-F1087 HydrophobicContact CE1-CD2 4.29Å; F1057-F1087 AromaticContact CE1-CE2 3.86Å; F1057-F1087 HydrophobicContact CE1-CE2 3.86Å; F1057-F1087 HydrophobicContact CE1-CZ 4.01Å; F1057-F1087 AromaticContact CZ-CD2 3.61Å; F1057-F1087 HydrophobicContact CZ-CD2 3.61Å; F1057-F1087 AromaticContact CZ-CE2 3.62Å; F1057-F1087 HydrophobicContact CZ-CE2 3.62Å; F1057-F1087 HydrophobicContact CZ-CG 4.14Å; F1057-F1087 HydrophobicContact CZ-CZ 4.16Å; F1057-L1101 HydrophobicContact CB-CD1 4.39Å; F1057-L1101 HydrophobicContact CD2-CD1 3.68Å; F1057-L1101 HydrophobicContact CE2-CD1 4.4Å; F1057-L1101 HydrophobicContact CG-CD1 4.37Å; F1057-V1102 CarbonylContact C-O 3.51Å; F1057-V1102 WeakPolarHBondContact CA-O 3.26Å; F1057-V1102 WeakPolarHBondContact CB-O 3.44Å; F1057-I1103 HydrophobicContact CB-CD1 3.6Å; F1057-I1103 HydrophobicContact CG-CD1 4.44Å
1058	L	96.3	Very high	92.7	Very high	21 Å²	21	54.3 Å²	54.3	11%	0.11	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.2	-175.5	-178.6	87.7	0	0	0	108.3	K1060 V1071 G1073 E1074 V1102 L1104	L1058-K1060 HydrophobicContact CD2-CG 4.12Å; L1058-V1071 HydrophobicContact CD1-CB 4.36Å; L1058-V1071 HydrophobicContact CD1-CG1 3.33Å; L1058-V1071 HydrophobicContact CD1-CG2 4.15Å; L1058-V1071 HydrophobicContact CD2-CG2 3.97Å; L1058-V1071 HydrophobicContact CG-CG1 4.1Å; L1058-V1071 HydrophobicContact CG-CG2 4.36Å; L1058-G1073 WeakPolarHBondContact CA-O 3.49Å; L1058-E1074 HydrophobicContact CD1-CB 3.72Å; L1058-E1074 HydrophobicContact CD1-CG 4.17Å; L1058-V1102 HydrophobicContact CB-CB 4.17Å; L1058-V1102 PolarHBondContact N-O 3.08Å; L1058-V1102 PolarHBondContact O-N 3.4Å; L1058-L1104 HydrophobicContact CB-CD1 4.47Å
1059	V	97.3	Very high	92.9	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.5	174.8	-176.9	0	0	0	0	109.3	V1035 F1057 L1072 G1073 V1099 E1100 L1101 F1118	V1035-V1059 HydrophobicContact CG1-CG1 4.35Å; V1035-V1059 HydrophobicContact CG2-CG2 4.08Å; F1057-V1059 HydrophobicContact CD2-CG2 4.08Å; F1057-V1059 HydrophobicContact CE2-CG2 3.97Å; V1059-L1072 HydrophobicContact CG1-CD1 4.21Å; V1059-L1072 WeakPolarHBondContact O-CB 3.42Å; V1059-L1072 PolarHBondContact O-N 3Å; V1059-G1073 PolarHBondContact N-O 2.94Å; V1059-V1099 HydrophobicContact CG1-CG1 3.44Å; V1059-V1099 VanDerWaalsContact CG1-CG1 3.44Å; V1059-E1100 WeakPolarHBondContact CA-O 3.3Å; V1059-L1101 HydrophobicContact CG2-CD1 4.38Å; V1059-F1118 HydrophobicContact CG1-CZ 4.47Å; V1059-F1118 HydrophobicContact CG2-CE2 4.24Å; V1059-F1118 HydrophobicContact CG2-CZ 4.02Å
1060	K	95.6	Very high	93.1	Very high	39 Å²	39	49.7 Å²	49.7	17%	0.17	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	148.7	175.6	-49	-171.5	-161.8	149	0	112.4	L1058 D1068 V1070 V1071 V1099 E1100	L1058-K1060 HydrophobicContact CD2-CG 4.12Å; K1060-D1068 VanDerWaalsContact CD-O 3.27Å; K1060-D1068 WeakPolarHBondContact CD-O 3.37Å; K1060-D1068 PolarHBondContact NZ-O 3.5Å; K1060-V1070 CarbonylContact C-O 3.56Å; K1060-V1070 VanDerWaalsContact CA-O 3.24Å; K1060-V1070 WeakPolarHBondContact CA-O 3.16Å; K1060-V1071 HydrophobicContact CD-CG2 4.48Å; K1060-V1071 HydrophobicContact CG-CG2 4.24Å; K1060-V1099 CarbonylContact O-C 3.57Å; K1060-V1099 WeakPolarHBondContact O-CA 3.47Å; K1060-E1100 HydrophobicContact CB-CB 4.17Å; K1060-E1100 WeakPolarHBondContact CD-OE2 3.44Å; K1060-E1100 WeakPolarHBondContact CE-OE2 3.23Å; K1060-E1100 PolarHBondContact N-O 3.49Å; K1060-E1100 IonicContact NZ-OE2 2.78Å; K1060-E1100 PolarHBondContact NZ-OE2 2.94Å; K1060-E1100 PolarHBondContact O-N 3.47Å
1061	A	94.6	Very high	93.1	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.025	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.1	169.7	0	0	0	0	0	110.7	G1069 V1070 L1072 Y1092 I1096	A1061-G1069 CarbonylContact O-C 3.6Å; A1061-G1069 WeakPolarHBondContact O-CA 3.33Å; A1061-V1070 PolarHBondContact N-O 3.32Å; A1061-V1070 PolarHBondContact O-N 3.05Å; A1061-L1072 HydrophobicContact CB-CD1 4.07Å; A1061-L1072 HydrophobicContact CB-CD2 3.88Å; A1061-L1072 HydrophobicContact CB-CG 3.94Å; A1061-Y1092 HydrophobicContact CB-CE1 4.28Å; A1061-I1096 HydrophobicContact CB-CD1 3.2Å; A1061-I1096 HydrophobicContact CB-CG1 3.8Å; A1061-I1096 HydrophobicContact CB-CG2 4.19Å
1062	L	94.3	Very high	93.1	Very high	3 Å²	3	52 Å²	52	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135	177.8	-65.6	173	0	0	0	109.9	I1023 D1067 F1098 E1100	I1023-L1062 HydrophobicContact CD1-CD1 4.31Å; I1023-L1062 HydrophobicContact CG1-CD1 4.13Å; I1023-L1062 HydrophobicContact CG2-CD1 3.84Å; L1062-D1067 HydrophobicContact CD2-CB 3.98Å; L1062-D1067 WeakPolarHBondContact CD2-O 3.39Å; L1062-F1098 HydrophobicContact CB-CB 3.68Å; L1062-F1098 PolarHBondContact N-O 3.41Å; L1062-E1100 HydrophobicContact CD1-CB 3.86Å; L1062-E1100 HydrophobicContact CG-CB 4.31Å
1063	Q	89.5	Confident	93.1	Very high	145 Å²	145	52 Å²	52	68%	0.678	27%	0.265	S	S	*	.	S	Bend	trans	-81.3	-33.8	169.3	-74	-170.2	58.4	0	0	111.9
1064	T	89.4	Confident	93.1	Very high	76 Å²	76	58.2 Å²	58.2	47%	0.466	29%	0.294	S	S	.	.	S	Bend	trans	-137.6	161.3	177.7	66.9	0	0	0	0	109.6	Y1066 D1067	T1064-Y1066 PolarHBondContact O-N 3.38Å; T1064-Y1066 VanDerWaalsContact O-N 3.14Å; T1064-D1067 WeakPolarHBondContact O-CB 3.39Å; T1064-D1067 PolarHBondContact O-N 2.93Å
1065	E	84.2	Confident	93.1	Very high	64 Å²	64	59.7 Å²	59.7	30%	0.299	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.8	-177.5	-57.2	179.2	173.4	0	0	113.5	V970 F1098	V970-E1065 HydrophobicContact CG1-CB 3.92Å; V970-E1065 HydrophobicContact CG1-CG 3.62Å; V970-E1065 WeakPolarHBondContact CG1-OE2 3.45Å; V970-E1065 HydrophobicContact CG2-CG 4.44Å; E1065-F1098 HydrophobicContact CG-CD1 3.98Å; E1065-F1098 HydrophobicContact CG-CE1 3.52Å; E1065-F1098 HydrophobicContact CG-CZ 3.84Å; E1065-F1098 WeakPolarHBondContact OE1-CE1 3.29Å
1066	Y	86.6	Confident	93.1	Very high	194 Å²	194	57.5 Å²	57.5	76%	0.761	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-3.2	-176.9	-51.4	-71.2	0	0	0	114.1	T1064	T1064-Y1066 PolarHBondContact O-N 3.38Å; T1064-Y1066 VanDerWaalsContact O-N 3.14Å
1067	D	85.8	Confident	93.1	Very high	57 Å²	57	55.9 Å²	55.9	31%	0.305	29%	0.291	S	S	.	.			trans	-70.6	157.7	179	-168.6	4.7	0	0	0	110.9	R973 L1062 T1064 G1069	R973-D1067 PolarHBondContact NH2-O 3.46Å; L1062-D1067 HydrophobicContact CD2-CB 3.98Å; L1062-D1067 WeakPolarHBondContact CD2-O 3.39Å; T1064-D1067 WeakPolarHBondContact O-CB 3.39Å; T1064-D1067 PolarHBondContact O-N 2.93Å; D1067-G1069 VanDerWaalsContact C-N 3.35Å; D1067-G1069 PolarHBondContact OD1-N 2.95Å
1068	D	87	Confident	93	Very high	125 Å²	125	59.2 Å²	59.2	67%	0.668	31%	0.309	S	S	*	.			trans	-83	-20.4	172.6	-76.6	-31.3	0	0	0	111.8	K1060	K1060-D1068 VanDerWaalsContact CD-O 3.27Å; K1060-D1068 WeakPolarHBondContact CD-O 3.37Å; K1060-D1068 PolarHBondContact NZ-O 3.5Å
1069	G	90.1	Very high	92.9	Very high	24 Å²	24	59.2 Å²	59.2	25%	0.247	31%	0.31	C	S	.	.			trans	77.4	168.3	172.1	0	0	0	0	0	115.4	A1061 D1067	A1061-G1069 CarbonylContact O-C 3.6Å; A1061-G1069 WeakPolarHBondContact O-CA 3.33Å; D1067-G1069 VanDerWaalsContact C-N 3.35Å; D1067-G1069 PolarHBondContact OD1-N 2.95Å
1070	V	93.1	Very high	92.6	Very high	72 Å²	72	65.3 Å²	65.3	44%	0.436	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128	176.8	-178.6	0	0	0	0	109.3	K1060 A1061 L1072 Y1092	K1060-V1070 CarbonylContact C-O 3.56Å; K1060-V1070 VanDerWaalsContact CA-O 3.24Å; K1060-V1070 WeakPolarHBondContact CA-O 3.16Å; A1061-V1070 PolarHBondContact N-O 3.32Å; A1061-V1070 PolarHBondContact O-N 3.05Å; V1070-L1072 PolarHBondContact O-N 3.33Å; V1070-Y1092 HydrophobicContact CB-CE2 4.41Å; V1070-Y1092 HydrophobicContact CG1-CE2 4.08Å
1071	V	94.5	Very high	92.5	Very high	79 Å²	79	66.2 Å²	66.2	48%	0.479	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	122.1	175.6	175.1	0	0	0	0	110.6	L1058 K1060	L1058-V1071 HydrophobicContact CD1-CB 4.36Å; L1058-V1071 HydrophobicContact CD1-CG1 3.33Å; L1058-V1071 HydrophobicContact CD1-CG2 4.15Å; L1058-V1071 HydrophobicContact CD2-CG2 3.97Å; L1058-V1071 HydrophobicContact CG-CG1 4.1Å; L1058-V1071 HydrophobicContact CG-CG2 4.36Å; K1060-V1071 HydrophobicContact CD-CG2 4.48Å; K1060-V1071 HydrophobicContact CG-CG2 4.24Å
1072	L	93.4	Very high	92.5	Very high	13 Å²	13	75.7 Å²	75.7	7%	0.068	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-36.6	174	-65.6	179.8	0	0	0	111.8	I1032 V1059 A1061 V1070 I1089 Y1092 I1096	I1032-L1072 HydrophobicContact CD1-CD1 3.7Å; V1059-L1072 HydrophobicContact CG1-CD1 4.21Å; V1059-L1072 WeakPolarHBondContact O-CB 3.42Å; V1059-L1072 PolarHBondContact O-N 3Å; A1061-L1072 HydrophobicContact CB-CD1 4.07Å; A1061-L1072 HydrophobicContact CB-CD2 3.88Å; A1061-L1072 HydrophobicContact CB-CG 3.94Å; V1070-L1072 PolarHBondContact O-N 3.33Å; L1072-I1089 HydrophobicContact CB-CD1 4.3Å; L1072-I1089 HydrophobicContact CB-CG1 4.43Å; L1072-I1089 HydrophobicContact CB-CG2 3.81Å; L1072-I1089 HydrophobicContact CD1-CD1 4.19Å; L1072-I1089 HydrophobicContact CD1-CG2 4.47Å; L1072-I1089 HydrophobicContact CD2-CG2 4.36Å; L1072-I1089 HydrophobicContact CG-CG2 4.45Å; L1072-Y1092 HydrophobicContact CD2-CD1 4.08Å; L1072-Y1092 HydrophobicContact CD2-CD2 3.91Å; L1072-Y1092 HydrophobicContact CD2-CG 3.65Å; L1072-I1096 HydrophobicContact CD1-CD1 4.34Å; L1072-I1096 HydrophobicContact CD2-CD1 4.33Å
1073	G	94	Very high	92.5	Very high	15 Å²	15	77.7 Å²	77.7	16%	0.155	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.7	155.1	178.8	0	0	0	0	0	112.7	L1058 V1059	L1058-G1073 WeakPolarHBondContact CA-O 3.49Å; V1059-G1073 PolarHBondContact N-O 2.94Å
1074	E	96.6	Very high	92.8	Very high	131 Å²	131	72.7 Å²	72.7	61%	0.612	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.6	171.4	-170.1	177	167	0	0	108.2	F1057 L1058 L1104	F1057-E1074 WeakPolarHBondContact O-CA 3.49Å; L1058-E1074 HydrophobicContact CD1-CB 3.72Å; L1058-E1074 HydrophobicContact CD1-CG 4.17Å; E1074-L1104 HydrophobicContact CG-CD1 4.18Å; E1074-L1104 WeakPolarHBondContact OE1-CD1 3.29Å
1075	F	97.8	Very high	93.2	Very high	32 Å²	32	70.1 Å²	70.1	14%	0.14	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	155.4	-169.8	-56	-66.9	0	0	0	110.6	V1035 F1057 F1087 I1089	V1035-F1075 HydrophobicContact CG2-CD2 4.35Å; V1035-F1075 HydrophobicContact CG2-CE2 3.96Å; F1057-F1075 HydrophobicContact CD1-CB 4.22Å; F1057-F1075 WeakPolarHBondContact CD1-O 3.35Å; F1057-F1075 HydrophobicContact CE1-CB 3.62Å; F1057-F1075 HydrophobicContact CE2-CB 4.03Å; F1057-F1075 AromaticContact CE2-CD2 3.8Å; F1057-F1075 HydrophobicContact CE2-CD2 3.8Å; F1057-F1075 HydrophobicContact CE2-CG 4.37Å; F1057-F1075 HydrophobicContact CZ-CB 3.52Å; F1057-F1075 HydrophobicContact CZ-CD2 4.01Å; F1057-F1075 HydrophobicContact CZ-CG 4.14Å; F1057-F1075 PolarHBondContact N-O 3.44Å; F1057-F1075 PolarHBondContact O-N 3.17Å; F1057-F1075 VanDerWaalsContact O-O 3.1Å; F1075-F1087 HydrophobicContact CB-CB 4.49Å; F1075-F1087 HydrophobicContact CB-CD1 3.69Å; F1075-F1087 HydrophobicContact CB-CE1 4.02Å; F1075-F1087 HydrophobicContact CB-CG 4.04Å; F1075-F1087 HydrophobicContact CD1-CB 3.69Å; F1075-F1087 AromaticContact CD1-CD1 3.73Å; F1075-F1087 HydrophobicContact CD1-CD1 3.73Å; F1075-F1087 HydrophobicContact CD1-CG 4.01Å; F1075-F1087 HydrophobicContact CD2-CB 4.01Å; F1075-F1087 HydrophobicContact CD2-CG 4.39Å; F1075-F1087 HydrophobicContact CE1-CB 3.78Å; F1075-F1087 HydrophobicContact CE2-CB 4.1Å; F1075-F1087 HydrophobicContact CG-CB 3.8Å; F1075-F1087 AromaticContact CG-CD1 3.82Å; F1075-F1087 HydrophobicContact CG-CD1 3.82Å; F1075-F1087 AromaticContact CG-CG 3.89Å; F1075-F1087 HydrophobicContact CG-CG 3.89Å; F1075-F1087 HydrophobicContact CZ-CB 3.98Å; F1075-I1089 HydrophobicContact CE2-CG1 4.14Å; F1075-I1089 HydrophobicContact CZ-CG1 3.9Å
1076	T	98	Very high	93.8	Very high	76 Å²	76	70.8 Å²	70.8	47%	0.466	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.5	175.9	-57.5	0	0	0	0	109.4	R1055 D1056 F1087	R1055-T1076 HydrophobicContact CG-CG2 3.97Å; R1055-T1076 CarbonylContact O-C 3.52Å; R1055-T1076 VanDerWaalsContact O-CA 3.31Å; R1055-T1076 WeakPolarHBondContact O-CA 3.49Å; D1056-T1076 WeakPolarHBondContact OD1-CB 3.46Å; D1056-T1076 VanDerWaalsContact OD1-CG2 3.23Å; D1056-T1076 WeakPolarHBondContact OD1-CG2 3.45Å; D1056-T1076 PolarHBondContact OD1-OG1 2.92Å; T1076-F1087 WeakPolarHBondContact O-CE1 3.28Å
1077	Y	98.1	Very high	94.3	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.016	34%	0.337	C	S	.	.			trans	-86.3	125.3	175.4	178.5	-91.5	0	0	0	111.2	L1037 H1039 A1053 P1054 R1055 V1079 P1083 Q1085 H1107	L1037-Y1077 HydrophobicContact CB-CD2 4.27Å; L1037-Y1077 HydrophobicContact CD2-CD2 4Å; L1037-Y1077 HydrophobicContact CD2-CG 4.14Å; L1037-Y1077 HydrophobicContact CG-CD2 4.22Å; H1039-Y1077 HydrophobicContact CB-CE1 3.97Å; H1039-Y1077 WeakPolarHBondContact CB-OH 3.32Å; A1053-Y1077 HydrophobicContact CB-CE1 4.31Å; P1054-Y1077 WeakPolarHBondContact O-CD1 3.28Å; R1055-Y1077 PolarHBondContact O-N 3.44Å; Y1077-V1079 HydrophobicContact CD1-CG1 4.25Å; Y1077-V1079 HydrophobicContact CE1-CG1 3.94Å; Y1077-P1083 WeakPolarHBondContact OH-CA 3.47Å; Y1077-P1083 PolarHBondContact OH-O 2.93Å; Y1077-Q1085 HydrophobicContact CD2-CB 4.19Å; Y1077-Q1085 VanDerWaalsContact CD2-CD 3.49Å; Y1077-Q1085 HydrophobicContact CD2-CG 4.28Å; Y1077-Q1085 HydrophobicContact CE2-CB 4.25Å; Y1077-Q1085 HydrophobicContact CE2-CG 4.1Å; Y1077-H1107 PolarHBondContact O-CE1 2.88Å; Y1077-H1107 VanDerWaalsContact O-CE1 3.32Å; Y1077-H1107 PolarHBondContact O-NE2 3.42Å
1078	D	96.8	Very high	94.8	Very high	70 Å²	70	64.7 Å²	64.7	37%	0.374	35%	0.353	S	S	.	.			trans	-100.4	111	-179	178.5	16.6	0	0	0	112.4	N1080 S1081 Q1085	D1078-N1080 PolarHBondContact O-N 3.45Å; D1078-N1080 WeakPolarHBondContact OD1-CB 3.08Å; D1078-N1080 PolarHBondContact OD1-N 2.65Å; D1078-S1081 PolarHBondContact O-N 3.21Å; D1078-S1081 PolarHBondContact O-OG 3.03Å; D1078-S1081 VanDerWaalsContact O-OG 3.04Å; D1078-Q1085 PolarHBondContact O-NE2 3.42Å
1079	V	94	Very high	95	Very high	22 Å²	22	59.5 Å²	59.5	13%	0.133	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.2	177.5	-70.5	0	0	0	0	114.8	R1042 L1050 A1053 Y1077 H1107	R1042-V1079 PolarHBondContact NH2-O 3.26Å; L1050-V1079 HydrophobicContact CB-CB 4.38Å; L1050-V1079 HydrophobicContact CB-CG1 4.09Å; L1050-V1079 HydrophobicContact CD1-CB 4.38Å; A1053-V1079 HydrophobicContact CB-CG1 3.73Å; Y1077-V1079 HydrophobicContact CD1-CG1 4.25Å; Y1077-V1079 HydrophobicContact CE1-CG1 3.94Å; V1079-H1107 HydrophobicContact CG1-CB 4.44Å; V1079-H1107 VanDerWaalsContact CG1-CD2 3.41Å; V1079-H1107 WeakPolarHBondContact CG1-CD2 3.4Å
1080	N	91.8	Very high	94.8	Very high	127 Å²	127	67 Å²	67	68%	0.679	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-11.7	177.2	-59.6	-45.2	0	0	0	112.9	R1042 D1078	R1042-N1080 PolarHBondContact NH2-OD1 2.94Å; D1078-N1080 PolarHBondContact O-N 3.45Å; D1078-N1080 WeakPolarHBondContact OD1-CB 3.08Å; D1078-N1080 PolarHBondContact OD1-N 2.65Å
1081	S	93.5	Very high	94	Very high	58 Å²	58	72.4 Å²	72.4	41%	0.406	37%	0.371	S	S	.	.	S	Bend	trans	-90.1	-159.3	177.6	85	0	0	0	0	111.3	D1078 Q1085	D1078-S1081 PolarHBondContact O-N 3.21Å; D1078-S1081 PolarHBondContact O-OG 3.03Å; D1078-S1081 VanDerWaalsContact O-OG 3.04Å; S1081-Q1085 PolarHBondContact OG-NE2 3.16Å
1082	R	93.6	Very high	93.4	Very high	203 Å²	203	70.8 Å²	70.8	77%	0.766	36%	0.357	S	S	*	.			trans	-67.8	146.8	176.5	-66.2	-175.2	179.5	-169.2	0.1	110.1	I1084 Q1085	R1082-I1084 PolarHBondContact O-N 2.73Å; R1082-Q1085 WeakPolarHBondContact O-CG 3.45Å; R1082-Q1085 PolarHBondContact O-NE2 2.85Å
1083	P	94.1	Very high	92.8	Very high	45 Å²	45	74.9 Å²	74.9	29%	0.292	39%	0.386	S	S	.	.	S	Bend	trans	-63.4	-24.1	179.5	-18.9	28.4	0	0	0	114.1	E1038 H1039 P1041 Y1077	E1038-P1083 VanDerWaalsContact CA-O 3.28Å; E1038-P1083 WeakPolarHBondContact CA-O 3.41Å; H1039-P1083 PolarHBondContact N-O 2.94Å; H1039-P1083 VanDerWaalsContact N-O 3.14Å; H1039-P1083 WeakPolarHBondContact O-CB 3.46Å; P1041-P1083 HydrophobicContact CB-CB 4.38Å; P1041-P1083 HydrophobicContact CB-CG 3.69Å; Y1077-P1083 WeakPolarHBondContact OH-CA 3.47Å; Y1077-P1083 PolarHBondContact OH-O 2.93Å
1084	I	96	Very high	92.6	Very high	39 Å²	39	80.1 Å²	80.1	20%	0.2	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.4	177.5	-59.7	172.1	0	0	0	107.5	R954 T955 T1036 E1038 R1082	R954-I1084 HydrophobicContact CB-CD1 3.92Å; R954-I1084 HydrophobicContact CG-CD1 4.35Å; T955-I1084 HydrophobicContact CG2-CG2 3.97Å; T1036-I1084 HydrophobicContact CG2-CG2 3.44Å; T1036-I1084 VanDerWaalsContact CG2-CG2 3.44Å; E1038-I1084 HydrophobicContact CB-CG1 4.13Å; E1038-I1084 HydrophobicContact CG-CG1 3.79Å; R1082-I1084 PolarHBondContact O-N 2.73Å
1085	Q	97.4	Very high	92.3	Very high	22 Å²	22	76.3 Å²	76.3	10%	0.103	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.1	-178.4	-71.5	167.5	48.2	0	0	110.3	T1036 L1037 Y1077 D1078 S1081 R1082 F1087	T1036-Q1085 CarbonylContact C-O 3.55Å; T1036-Q1085 VanDerWaalsContact CA-O 3.26Å; T1036-Q1085 WeakPolarHBondContact CA-O 3.43Å; T1036-Q1085 WeakPolarHBondContact CG2-O 3.48Å; L1037-Q1085 PolarHBondContact N-O 3.35Å; L1037-Q1085 PolarHBondContact O-N 2.73Å; Y1077-Q1085 HydrophobicContact CD2-CB 4.19Å; Y1077-Q1085 VanDerWaalsContact CD2-CD 3.49Å; Y1077-Q1085 HydrophobicContact CD2-CG 4.28Å; Y1077-Q1085 HydrophobicContact CE2-CB 4.25Å; Y1077-Q1085 HydrophobicContact CE2-CG 4.1Å; D1078-Q1085 PolarHBondContact O-NE2 3.42Å; S1081-Q1085 PolarHBondContact OG-NE2 3.16Å; R1082-Q1085 WeakPolarHBondContact O-CG 3.45Å; R1082-Q1085 PolarHBondContact O-NE2 2.85Å; Q1085-F1087 HydrophobicContact CB-CE2 3.61Å; Q1085-F1087 HydrophobicContact CB-CZ 3.68Å; Q1085-F1087 WeakPolarHBondContact O-CD2 3.32Å; Q1085-F1087 WeakPolarHBondContact O-CE2 3.24Å
1086	N	97.5	Very high	92.1	Very high	78 Å²	78	75.2 Å²	75.2	42%	0.417	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.4	-179	-172.2	4.4	0	0	0	109.5	L957 S1034 V1035 T1036	L957-N1086 VanDerWaalsContact CD1-ND2 3.35Å; L957-N1086 WeakPolarHBondContact CD1-ND2 3.46Å; S1034-N1086 WeakPolarHBondContact CB-OD1 3.49Å; S1034-N1086 PolarHBondContact OG-OD1 2.93Å; V1035-N1086 PolarHBondContact O-OD1 2.88Å; T1036-N1086 PolarHBondContact OG1-OD1 2.92Å
1087	F	97.4	Very high	91.9	Very high	24 Å²	24	74.2 Å²	74.2	11%	0.105	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	108.8	-174.5	-60	-84.6	0	0	0	109.4	S1034 V1035 L1037 F1057 F1075 T1076 Q1085	S1034-F1087 VanDerWaalsContact CA-O 3.29Å; S1034-F1087 WeakPolarHBondContact CA-O 3.37Å; S1034-F1087 VanDerWaalsContact CB-O 3.28Å; S1034-F1087 WeakPolarHBondContact CB-O 3.49Å; V1035-F1087 HydrophobicContact CG2-CB 4.03Å; V1035-F1087 PolarHBondContact N-O 3.38Å; V1035-F1087 PolarHBondContact O-N 3.3Å; L1037-F1087 HydrophobicContact CB-CE2 4.13Å; F1057-F1087 HydrophobicContact CE1-CD2 4.29Å; F1057-F1087 AromaticContact CE1-CE2 3.86Å; F1057-F1087 HydrophobicContact CE1-CE2 3.86Å; F1057-F1087 HydrophobicContact CE1-CZ 4.01Å; F1057-F1087 AromaticContact CZ-CD2 3.61Å; F1057-F1087 HydrophobicContact CZ-CD2 3.61Å; F1057-F1087 AromaticContact CZ-CE2 3.62Å; F1057-F1087 HydrophobicContact CZ-CE2 3.62Å; F1057-F1087 HydrophobicContact CZ-CG 4.14Å; F1057-F1087 HydrophobicContact CZ-CZ 4.16Å; F1075-F1087 HydrophobicContact CB-CB 4.49Å; F1075-F1087 HydrophobicContact CB-CD1 3.69Å; F1075-F1087 HydrophobicContact CB-CE1 4.02Å; F1075-F1087 HydrophobicContact CB-CG 4.04Å; F1075-F1087 HydrophobicContact CD1-CB 3.69Å; F1075-F1087 AromaticContact CD1-CD1 3.73Å; F1075-F1087 HydrophobicContact CD1-CD1 3.73Å; F1075-F1087 HydrophobicContact CD1-CG 4.01Å; F1075-F1087 HydrophobicContact CD2-CB 4.01Å; F1075-F1087 HydrophobicContact CD2-CG 4.39Å; F1075-F1087 HydrophobicContact CE1-CB 3.78Å; F1075-F1087 HydrophobicContact CE2-CB 4.1Å; F1075-F1087 HydrophobicContact CG-CB 3.8Å; F1075-F1087 AromaticContact CG-CD1 3.82Å; F1075-F1087 HydrophobicContact CG-CD1 3.82Å; F1075-F1087 AromaticContact CG-CG 3.89Å; F1075-F1087 HydrophobicContact CG-CG 3.89Å; F1075-F1087 HydrophobicContact CZ-CB 3.98Å; T1076-F1087 WeakPolarHBondContact O-CE1 3.28Å; Q1085-F1087 HydrophobicContact CB-CE2 3.61Å; Q1085-F1087 HydrophobicContact CB-CZ 3.68Å; Q1085-F1087 WeakPolarHBondContact O-CD2 3.32Å; Q1085-F1087 WeakPolarHBondContact O-CE2 3.24Å
1088	P	95.7	Very high	91.8	Very high	99 Å²	99	75.2 Å²	75.2	64%	0.643	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.8	177.4	28	-32.8	0	0	0	110.5
1089	I	92.7	Very high	91.8	Very high	16 Å²	16	71.9 Å²	71.9	8%	0.082	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-95.5	143.8	178.5	-76.5	165.5	0	0	0	109.2	I1032 S1033 V1035 L1072 F1075	I1032-I1089 HydrophobicContact CG2-CD1 3.44Å; I1032-I1089 VanDerWaalsContact CG2-CD1 3.44Å; S1033-I1089 PolarHBondContact O-N 3.01Å; V1035-I1089 HydrophobicContact CB-CD1 4.28Å; V1035-I1089 HydrophobicContact CG1-CD1 3.54Å; V1035-I1089 HydrophobicContact CG2-CD1 3.95Å; V1035-I1089 HydrophobicContact CG2-CG1 4.37Å; L1072-I1089 HydrophobicContact CB-CD1 4.3Å; L1072-I1089 HydrophobicContact CB-CG1 4.43Å; L1072-I1089 HydrophobicContact CB-CG2 3.81Å; L1072-I1089 HydrophobicContact CD1-CD1 4.19Å; L1072-I1089 HydrophobicContact CD1-CG2 4.47Å; L1072-I1089 HydrophobicContact CD2-CG2 4.36Å; L1072-I1089 HydrophobicContact CG-CG2 4.45Å; F1075-I1089 HydrophobicContact CE2-CG1 4.14Å; F1075-I1089 HydrophobicContact CZ-CG1 3.9Å
1090	K	84.4	Confident	92	Very high	182 Å²	182	70.9 Å²	70.9	79%	0.791	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-65.1	140.3	174.3	-68.1	-179.9	-178.3	175.1	0	109.5	Y1092	K1090-Y1092 PolarHBondContact O-N 3.49Å
1091	E	76.6	Confident	92.3	Very high	186 Å²	186	64.9 Å²	64.9	87%	0.869	33%	0.327	S	S	*	.			trans	-54.6	103.8	-169.8	-160.2	164.5	-153.9	0	0	112.1
1092	Y	82.3	Confident	92.4	Very high	45 Å²	45	62.6 Å²	62.6	18%	0.176	31%	0.31	C	S	.	.			trans	-106.3	103.7	176.7	-173.9	-97.4	0	0	0	108.5	A1061 V1070 L1072 K1090 K1094 I1096	A1061-Y1092 HydrophobicContact CB-CE1 4.28Å; V1070-Y1092 HydrophobicContact CB-CE2 4.41Å; V1070-Y1092 HydrophobicContact CG1-CE2 4.08Å; L1072-Y1092 HydrophobicContact CD2-CD1 4.08Å; L1072-Y1092 HydrophobicContact CD2-CD2 3.91Å; L1072-Y1092 HydrophobicContact CD2-CG 3.65Å; K1090-Y1092 PolarHBondContact O-N 3.49Å; Y1092-K1094 HydrophobicContact CD1-CB 4.12Å; Y1092-K1094 HydrophobicContact CE1-CB 3.57Å; Y1092-K1094 HydrophobicContact CE1-CD 4.34Å; Y1092-K1094 HydrophobicContact CE1-CG 4.21Å; Y1092-K1094 PolarHBondContact O-N 2.89Å; Y1092-K1094 VanDerWaalsContact O-N 3.07Å; Y1092-I1096 HydrophobicContact CD1-CD1 3.37Å; Y1092-I1096 HydrophobicContact CD1-CG1 4.08Å; Y1092-I1096 HydrophobicContact CE1-CD1 3.37Å; Y1092-I1096 HydrophobicContact CE1-CG1 3.68Å; Y1092-I1096 HydrophobicContact CG-CD1 4.43Å
1093	S	81.1	Confident	92.7	Very high	98 Å²	98	53 Å²	53	69%	0.685	27%	0.274	S	S	*	.			trans	-71.9	-4.2	-165.9	-39.1	0	0	0	0	115.4
1094	K	89.1	Confident	92.8	Very high	125 Å²	125	53.7 Å²	53.7	54%	0.543	28%	0.275	S	S	.	.	S	Bend	trans	-96.4	142.8	-176.8	-56.6	-179.7	179.4	178.5	0	111.1	Y1092	Y1092-K1094 HydrophobicContact CD1-CB 4.12Å; Y1092-K1094 HydrophobicContact CE1-CB 3.57Å; Y1092-K1094 HydrophobicContact CE1-CD 4.34Å; Y1092-K1094 HydrophobicContact CE1-CG 4.21Å; Y1092-K1094 PolarHBondContact O-N 2.89Å; Y1092-K1094 VanDerWaalsContact O-N 3.07Å
1095	S	91.3	Very high	92.9	Very high	51 Å²	51	53 Å²	53	36%	0.357	27%	0.274	S	S	.	.			trans	-65.9	131.6	169.1	-162.2	0	0	0	0	110.4	P1029 I1030	P1029-S1095 WeakPolarHBondContact CB-OG 3.29Å; P1029-S1095 PolarHBondContact O-OG 3.46Å; I1030-S1095 PolarHBondContact N-OG 2.87Å; I1030-S1095 WeakPolarHBondContact O-CA 3.14Å
1096	I	92.3	Very high	92.9	Very high	9 Å²	9	52.9 Å²	52.9	5%	0.046	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.6	178.4	-60.5	152.5	0	0	0	108.3	I1030 I1032 A1061 L1072 Y1092 F1098 V1099	I1030-I1096 PolarHBondContact N-O 2.81Å; I1030-I1096 PolarHBondContact O-N 2.89Å; I1032-I1096 HydrophobicContact CD1-CB 4.32Å; I1032-I1096 HydrophobicContact CD1-CD1 3.87Å; I1032-I1096 HydrophobicContact CD1-CG2 4.47Å; I1032-I1096 HydrophobicContact CG1-CD1 4.45Å; A1061-I1096 HydrophobicContact CB-CD1 3.2Å; A1061-I1096 HydrophobicContact CB-CG1 3.8Å; A1061-I1096 HydrophobicContact CB-CG2 4.19Å; L1072-I1096 HydrophobicContact CD1-CD1 4.34Å; L1072-I1096 HydrophobicContact CD2-CD1 4.33Å; Y1092-I1096 HydrophobicContact CD1-CD1 3.37Å; Y1092-I1096 HydrophobicContact CD1-CG1 4.08Å; Y1092-I1096 HydrophobicContact CE1-CD1 3.37Å; Y1092-I1096 HydrophobicContact CE1-CG1 3.68Å; Y1092-I1096 HydrophobicContact CG-CD1 4.43Å; I1096-F1098 WeakPolarHBondContact CG2-O 3.47Å; I1096-V1099 HydrophobicContact CG2-CG2 4.26Å
1097	Q	94	Very high	92.8	Very high	55 Å²	55	51.7 Å²	51.7	26%	0.257	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-22.6	170.9	-169.5	170.3	17.6	0	0	112.8	R1025 L1026 P1029	R1025-Q1097 CarbonylContact C-O 3.6Å; R1025-Q1097 HydrophobicContact CG-CG 4.23Å; L1026-Q1097 WeakPolarHBondContact CB-O 3.49Å; L1026-Q1097 WeakPolarHBondContact CG-O 3.41Å; L1026-Q1097 PolarHBondContact N-O 2.8Å; L1026-Q1097 PolarHBondContact O-NE2 3.24Å; P1029-Q1097 HydrophobicContact CB-CB 4.45Å; P1029-Q1097 HydrophobicContact CG-CB 4.36Å
1098	F	97	Very high	92.6	Very high	25 Å²	25	53.1 Å²	53.1	11%	0.11	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.9	180	-62.2	-84.7	0	0	0	111	V970 I1024 R1025 L1062 E1065 I1096	V970-F1098 HydrophobicContact CG2-CD1 3.97Å; V970-F1098 HydrophobicContact CG2-CE1 3.82Å; I1024-F1098 CarbonylContact O-C 3.56Å; I1024-F1098 WeakPolarHBondContact O-CA 3.15Å; R1025-F1098 HydrophobicContact CB-CD1 3.82Å; R1025-F1098 HydrophobicContact CB-CE1 3.69Å; R1025-F1098 HydrophobicContact CG-CD1 4.19Å; R1025-F1098 HydrophobicContact CG-CE1 3.76Å; R1025-F1098 HydrophobicContact CG-CZ 4.3Å; L1062-F1098 HydrophobicContact CB-CB 3.68Å; L1062-F1098 PolarHBondContact N-O 3.41Å; E1065-F1098 HydrophobicContact CG-CD1 3.98Å; E1065-F1098 HydrophobicContact CG-CE1 3.52Å; E1065-F1098 HydrophobicContact CG-CZ 3.84Å; E1065-F1098 WeakPolarHBondContact OE1-CE1 3.29Å; I1096-F1098 WeakPolarHBondContact CG2-O 3.47Å
1099	V	96.6	Very high	92.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134	-179	176.1	0	0	0	0	109	I1024 L1026 I1032 V1059 K1060 I1096 F1118	I1024-V1099 PolarHBondContact N-O 3.23Å; I1024-V1099 PolarHBondContact O-N 2.89Å; L1026-V1099 HydrophobicContact CD1-CG2 3.88Å; L1026-V1099 HydrophobicContact CD2-CG2 4.35Å; L1026-V1099 HydrophobicContact CG-CG2 4.18Å; I1032-V1099 HydrophobicContact CD1-CG2 3.52Å; V1059-V1099 HydrophobicContact CG1-CG1 3.44Å; V1059-V1099 VanDerWaalsContact CG1-CG1 3.44Å; K1060-V1099 CarbonylContact O-C 3.57Å; K1060-V1099 WeakPolarHBondContact O-CA 3.47Å; I1096-V1099 HydrophobicContact CG2-CG2 4.26Å; V1099-F1118 HydrophobicContact CG1-CE1 4.49Å
1100	E	97.3	Very high	92.5	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.4	172.8	-165.9	176.1	-122.8	0	0	109.3	R973 A1022 I1023 V1059 K1060 L1062 V1102	R973-E1100 IonicContact CZ-OE1 2.76Å; R973-E1100 IonicContact NE-OE1 3.96Å; R973-E1100 PolarHBondContact NE-OE1 2.78Å; R973-E1100 IonicContact NH2-OE1 3.65Å; R973-E1100 PolarHBondContact NH2-OE1 2.89Å; A1022-E1100 WeakPolarHBondContact O-CA 3.43Å; I1023-E1100 HydrophobicContact CG1-CG 4.15Å; V1059-E1100 WeakPolarHBondContact CA-O 3.3Å; K1060-E1100 HydrophobicContact CB-CB 4.17Å; K1060-E1100 WeakPolarHBondContact CD-OE2 3.44Å; K1060-E1100 WeakPolarHBondContact CE-OE2 3.23Å; K1060-E1100 PolarHBondContact N-O 3.49Å; K1060-E1100 IonicContact NZ-OE2 2.78Å; K1060-E1100 PolarHBondContact NZ-OE2 2.94Å; K1060-E1100 PolarHBondContact O-N 3.47Å; L1062-E1100 HydrophobicContact CD1-CB 3.86Å; L1062-E1100 HydrophobicContact CG-CB 4.31Å; E1100-V1102 HydrophobicContact CG-CG2 3.82Å
1101	L	97.7	Very high	92.9	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	121.6	167.6	173.9	62	0	0	0	108.5	Q1021 A1022 F1057 V1059 I1103 I1115 F1118	Q1021-L1101 CarbonylContact C-O 3.6Å; Q1021-L1101 VanDerWaalsContact CA-O 3.27Å; Q1021-L1101 WeakPolarHBondContact CA-O 3.39Å; A1022-L1101 PolarHBondContact N-O 3.22Å; A1022-L1101 PolarHBondContact O-N 2.88Å; F1057-L1101 HydrophobicContact CB-CD1 4.39Å; F1057-L1101 HydrophobicContact CD2-CD1 3.68Å; F1057-L1101 HydrophobicContact CE2-CD1 4.4Å; F1057-L1101 HydrophobicContact CG-CD1 4.37Å; V1059-L1101 HydrophobicContact CG2-CD1 4.38Å; L1101-I1103 HydrophobicContact CD1-CD1 4.02Å; L1101-I1103 HydrophobicContact CD2-CD1 4.36Å; L1101-I1103 HydrophobicContact CG-CD1 4.11Å; L1101-I1115 HydrophobicContact CD2-CD1 3.95Å; L1101-F1118 HydrophobicContact CB-CE1 4.43Å; L1101-F1118 HydrophobicContact CD1-CD2 4.16Å; L1101-F1118 HydrophobicContact CD1-CE2 3.86Å; L1101-F1118 HydrophobicContact CD1-CZ 4.24Å; L1101-F1118 HydrophobicContact CD2-CB 4.15Å; L1101-F1118 HydrophobicContact CD2-CD1 4.3Å; L1101-F1118 HydrophobicContact CD2-CD2 3.95Å; L1101-F1118 HydrophobicContact CD2-CE2 4.4Å; L1101-F1118 HydrophobicContact CD2-CG 3.87Å
1102	V	97.4	Very high	93.8	Very high	10 Å²	10	45.7 Å²	45.7	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	110.5	-179.6	178.7	0	0	0	0	109.3	G1020 Q1021 F1057 L1058 E1100 L1104	G1020-V1102 CarbonylContact O-C 3.57Å; G1020-V1102 WeakPolarHBondContact O-CA 3.33Å; Q1021-V1102 HydrophobicContact CG-CB 4.34Å; Q1021-V1102 HydrophobicContact CG-CG1 4.03Å; Q1021-V1102 HydrophobicContact CG-CG2 4.05Å; F1057-V1102 CarbonylContact C-O 3.51Å; F1057-V1102 WeakPolarHBondContact CA-O 3.26Å; F1057-V1102 WeakPolarHBondContact CB-O 3.44Å; L1058-V1102 HydrophobicContact CB-CB 4.17Å; L1058-V1102 PolarHBondContact N-O 3.08Å; L1058-V1102 PolarHBondContact O-N 3.4Å; E1100-V1102 HydrophobicContact CG-CG2 3.82Å; V1102-L1104 HydrophobicContact CG1-CD2 3.97Å
1103	I	98.3	Very high	94.5	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.9	171.3	-51	-52.7	0	0	0	109.3	F1015 K1019 G1020 P1054 F1057 L1101 S1105 T1113 I1115	F1015-I1103 HydrophobicContact CE1-CG1 4.28Å; F1015-I1103 HydrophobicContact CZ-CB 4.01Å; F1015-I1103 HydrophobicContact CZ-CG1 3.98Å; F1015-I1103 HydrophobicContact CZ-CG2 4.23Å; K1019-I1103 VanDerWaalsContact CA-O 3.3Å; K1019-I1103 WeakPolarHBondContact CA-O 3.44Å; G1020-I1103 PolarHBondContact N-O 3.39Å; G1020-I1103 VanDerWaalsContact N-O 3.09Å; G1020-I1103 PolarHBondContact O-N 3.49Å; P1054-I1103 HydrophobicContact CB-CD1 3.88Å; P1054-I1103 HydrophobicContact CB-CG1 4.38Å; P1054-I1103 HydrophobicContact CB-CG2 3.9Å; F1057-I1103 HydrophobicContact CB-CD1 3.6Å; F1057-I1103 HydrophobicContact CG-CD1 4.44Å; L1101-I1103 HydrophobicContact CD1-CD1 4.02Å; L1101-I1103 HydrophobicContact CD2-CD1 4.36Å; L1101-I1103 HydrophobicContact CG-CD1 4.11Å; I1103-S1105 WeakPolarHBondContact CG2-O 3.38Å; I1103-T1113 HydrophobicContact CG2-CG2 4.41Å; I1103-I1115 HydrophobicContact CD1-CD1 3.96Å; I1103-I1115 HydrophobicContact CG1-CD1 3.76Å; I1103-I1115 HydrophobicContact CG1-CG1 4.47Å
1104	L	97.7	Very high	95.1	Very high	58 Å²	58	39 Å²	39	30%	0.304	21%	0.211	S	C	.	.			trans	-99.8	-33	-178.5	-57.5	175.4	0	0	0	112.3	K1019 D1056 L1058 E1074 V1102	K1019-L1104 WeakPolarHBondContact CE-O 3.38Å; K1019-L1104 WeakPolarHBondContact CG-O 3.39Å; D1056-L1104 HydrophobicContact CB-CB 4.13Å; D1056-L1104 HydrophobicContact CB-CD1 4.48Å; D1056-L1104 WeakPolarHBondContact O-CA 3.32Å; D1056-L1104 WeakPolarHBondContact O-CB 3.34Å; D1056-L1104 PolarHBondContact O-N 3.1Å; L1058-L1104 HydrophobicContact CB-CD1 4.47Å; E1074-L1104 HydrophobicContact CG-CD1 4.18Å; E1074-L1104 WeakPolarHBondContact OE1-CD1 3.29Å; V1102-L1104 HydrophobicContact CG1-CD2 3.97Å
1105	S	97.5	Very high	95.5	Very high	26 Å²	26	33.1 Å²	33.1	18%	0.182	19%	0.186	C	C	.	.			trans	-154.4	166.2	-178.9	74.1	0	0	0	0	111.6	S1018 R1055 D1056 I1103	S1018-S1105 CarbonylContact O-C 3.34Å; S1018-S1105 WeakPolarHBondContact O-CA 3.46Å; R1055-S1105 WeakPolarHBondContact CB-OG 3.38Å; R1055-S1105 PolarHBondContact N-O 3.41Å; D1056-S1105 VanDerWaalsContact CB-OG 3.32Å; D1056-S1105 WeakPolarHBondContact CB-OG 3.28Å; D1056-S1105 VanDerWaalsContact CG-OG 3.24Å; D1056-S1105 PolarHBondContact N-OG 2.87Å; D1056-S1105 PolarHBondContact O-N 2.96Å; D1056-S1105 PolarHBondContact OD2-OG 2.84Å; I1103-S1105 WeakPolarHBondContact CG2-O 3.38Å
1106	N	96.9	Very high	95.7	Very high	19 Å²	19	31.4 Å²	31.4	10%	0.102	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-123.9	-179.3	173	72.2	4.5	0	0	0	111.1	A1053 G1108 H1109 T1113	A1053-N1106 WeakPolarHBondContact O-CA 3.48Å; A1053-N1106 WeakPolarHBondContact O-CB 3.3Å; N1106-G1108 PolarHBondContact O-N 3.35Å; N1106-G1108 PolarHBondContact OD1-N 3.27Å; N1106-G1108 VanDerWaalsContact OD1-N 3.08Å; N1106-H1109 PolarHBondContact ND2-O 2.94Å; N1106-T1113 HydrophobicContact CB-CG2 3.87Å; N1106-T1113 WeakPolarHBondContact CB-OG1 3.39Å; N1106-T1113 PolarHBondContact ND2-OG1 3.19Å
1107	H	96.3	Very high	95.9	Very high	52 Å²	52	31.2 Å²	31.2	24%	0.241	17%	0.17	C	C	.	.	S	Bend	trans	-84.5	22	179.9	-76.9	-81.7	0	0	0	114.4	D1051 A1053 P1054 Y1077 V1079	D1051-H1107 CarbonylContact O-C 3.45Å; D1051-H1107 PolarHBondContact O-N 3.27Å; A1053-H1107 PolarHBondContact O-CD2 2.86Å; A1053-H1107 PolarHBondContact O-N 3.39Å; P1054-H1107 PolarHBondContact O-CD2 3.42Å; P1054-H1107 VanDerWaalsContact O-CD2 3.28Å; P1054-H1107 PolarHBondContact O-NE2 2.9Å; Y1077-H1107 PolarHBondContact O-CE1 2.88Å; Y1077-H1107 VanDerWaalsContact O-CE1 3.32Å; Y1077-H1107 PolarHBondContact O-NE2 3.42Å; V1079-H1107 HydrophobicContact CG1-CB 4.44Å; V1079-H1107 VanDerWaalsContact CG1-CD2 3.41Å; V1079-H1107 WeakPolarHBondContact CG1-CD2 3.4Å
1108	G	92.4	Very high	96	Very high	54 Å²	54	28.6 Å²	28.6	56%	0.557	16%	0.158	S	C	*	.	S	Bend	trans	106.8	8.2	169.3	0	0	0	0	0	115.8	D1051 N1106	D1051-G1108 PolarHBondContact O-N 3.08Å; N1106-G1108 PolarHBondContact O-N 3.35Å; N1106-G1108 PolarHBondContact OD1-N 3.27Å; N1106-G1108 VanDerWaalsContact OD1-N 3.08Å
1109	H	93.9	Very high	96.1	Very high	33 Å²	33	27.5 Å²	27.5	15%	0.153	15%	0.153	C	C	.	.			trans	-72.3	127.2	173	-169.2	-90.4	0	0	0	110.8	D1051 N1106 Y1112	D1051-H1109 VanDerWaalsContact C-CB 3.46Å; D1051-H1109 HydrophobicContact CB-CB 4.08Å; D1051-H1109 VanDerWaalsContact O-CB 3.31Å; D1051-H1109 WeakPolarHBondContact O-CB 3.07Å; D1051-H1109 PolarHBondContact O-N 2.68Å; D1051-H1109 VanDerWaalsContact O-N 3.11Å; D1051-H1109 IonicContact OD1-CD2 3.39Å; D1051-H1109 IonicContact OD2-CD2 2.93Å; N1106-H1109 PolarHBondContact ND2-O 2.94Å; H1109-Y1112 AromaticContact CE1-CD1 3.19Å; H1109-Y1112 WeakPolarHBondContact CE1-CD1 3.35Å; H1109-Y1112 AromaticContact CE1-CE1 3.04Å; H1109-Y1112 WeakPolarHBondContact CE1-CE1 3.27Å; H1109-Y1112 AromaticContact CE1-CG 3.9Å; H1109-Y1112 AromaticContact CE1-CZ 3.65Å; H1109-Y1112 AromaticContact ND1-CD1 3.59Å; H1109-Y1112 AromaticContact ND1-CE1 3.74Å; H1109-Y1112 AromaticContact ND1-CG 3.83Å; H1109-Y1112 PolarHBondContact ND1-N 3.42Å; H1109-Y1112 PolarHBondContact ND1-O 2.96Å; H1109-Y1112 AromaticContact NE2-CE1 3.63Å; H1109-Y1112 AromaticContact NE2-CZ 3.97Å
1110	P	92.3	Very high	96.1	Very high	109 Å²	109	27.5 Å²	27.5	71%	0.708	15%	0.153	S	C	*	.	S	Bend	trans	-76.5	-29.2	-166.3	27	-34.6	0	0	0	114.5
1111	K	93.4	Very high	96.1	Very high	121 Å²	121	27.6 Å²	27.6	53%	0.526	15%	0.154	S	C	.	.	S	Bend	trans	-101.2	-36.8	-169.4	-65.7	-172.6	178.6	-174.3	0	114.7	Y978 G1017	Y978-K1111 HydrophobicContact CE2-CB 4.2Å; G1017-K1111 PolarHBondContact N-O 2.95Å
1112	Y	94.5	Very high	95.9	Very high	65 Å²	65	28 Å²	28	26%	0.255	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	161	-171.7	70.5	-96.8	0	0	0	112.2	Y978 P1014 F1015 G1017 H1109 C1114	Y978-Y1112 AromaticContact CD1-CD1 3.52Å; Y978-Y1112 HydrophobicContact CD1-CD1 3.52Å; Y978-Y1112 HydrophobicContact CD1-CE1 4.22Å; Y978-Y1112 AromaticContact CD1-CG 3.76Å; Y978-Y1112 HydrophobicContact CD1-CG 3.76Å; Y978-Y1112 AromaticContact CE1-CD1 3.27Å; Y978-Y1112 HydrophobicContact CE1-CD1 3.27Å; Y978-Y1112 AromaticContact CE1-CE1 3.79Å; Y978-Y1112 HydrophobicContact CE1-CE1 3.79Å; Y978-Y1112 HydrophobicContact CE1-CG 4.01Å; Y978-Y1112 HydrophobicContact CE2-CD1 4.44Å; Y978-Y1112 HydrophobicContact CG-CD1 4.17Å; Y978-Y1112 HydrophobicContact CG-CG 4.11Å; Y978-Y1112 AromaticContact CZ-CD1 3.81Å; P1014-Y1112 HydrophobicContact CB-CD2 4.09Å; F1015-Y1112 CarbonylContact O-C 3.51Å; F1015-Y1112 WeakPolarHBondContact O-CA 3.42Å; F1015-Y1112 WeakPolarHBondContact O-CB 3.35Å; G1017-Y1112 CarbonylContact O-C 3.59Å; H1109-Y1112 AromaticContact CE1-CD1 3.19Å; H1109-Y1112 WeakPolarHBondContact CE1-CD1 3.35Å; H1109-Y1112 AromaticContact CE1-CE1 3.04Å; H1109-Y1112 WeakPolarHBondContact CE1-CE1 3.27Å; H1109-Y1112 AromaticContact CE1-CG 3.9Å; H1109-Y1112 AromaticContact CE1-CZ 3.65Å; H1109-Y1112 AromaticContact ND1-CD1 3.59Å; H1109-Y1112 AromaticContact ND1-CE1 3.74Å; H1109-Y1112 AromaticContact ND1-CG 3.83Å; H1109-Y1112 PolarHBondContact ND1-N 3.42Å; H1109-Y1112 PolarHBondContact ND1-O 2.96Å; H1109-Y1112 AromaticContact NE2-CE1 3.63Å; H1109-Y1112 AromaticContact NE2-CZ 3.97Å; Y1112-C1114 HydrophobicContact CE2-CB 4.45Å
1113	T	96.7	Very high	95.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.4	170.9	-55.2	0	0	0	0	108.5	P1014 F1015 G1017 S1018 S1052 P1054 I1103 N1106	P1014-T1113 CarbonylContact C-O 3.52Å; P1014-T1113 WeakPolarHBondContact CA-O 3.04Å; F1015-T1113 HydrophobicContact CE1-CG2 4.14Å; F1015-T1113 HydrophobicContact CE2-CG2 4.44Å; F1015-T1113 VanDerWaalsContact CZ-CB 3.46Å; F1015-T1113 HydrophobicContact CZ-CG2 3.75Å; F1015-T1113 PolarHBondContact N-O 2.92Å; F1015-T1113 PolarHBondContact O-N 3.11Å; G1017-T1113 PolarHBondContact O-N 3.15Å; G1017-T1113 PolarHBondContact O-OG1 2.73Å; S1018-T1113 WeakPolarHBondContact CA-OG1 3.37Å; S1052-T1113 CarbonylContact O-C 3.51Å; S1052-T1113 WeakPolarHBondContact O-CA 3.31Å; S1052-T1113 WeakPolarHBondContact O-CG2 3.41Å; P1054-T1113 HydrophobicContact CB-CG2 4.14Å; I1103-T1113 HydrophobicContact CG2-CG2 4.41Å; N1106-T1113 HydrophobicContact CB-CG2 3.87Å; N1106-T1113 WeakPolarHBondContact CB-OG1 3.39Å; N1106-T1113 PolarHBondContact ND2-OG1 3.19Å
1114	C	94.5	Very high	95.3	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.2	-179.5	-134.8	0	0	0	0	111.9	C1012 W1013 P1014 H1039 S1052 P1054 Y1112	C1012-C1114 HydrophobicContact CB-CB 3.94Å; C1012-C1114 WeakPolarHBondContact CB-SG 3.42Å; C1012-C1114 WeakPolarHBondContact SG-CB 3.35Å; C1012-C1114 CovalentContact SG-SG 2.02Å; C1012-C1114 PolarHBondContact SG-SG 3.29Å; W1013-C1114 WeakPolarHBondContact O-CA 3.5Å; P1014-C1114 VanDerWaalsContact CA-SG 3.53Å; P1014-C1114 VanDerWaalsContact CB-SG 3.58Å; P1014-C1114 VanDerWaalsContact N-SG 3.36Å; H1039-C1114 PolarHBondContact CD2-O 3.01Å; H1039-C1114 VanDerWaalsContact CD2-O 3.28Å; H1039-C1114 PolarHBondContact NE2-O 3.45Å; S1052-C1114 PolarHBondContact O-N 3.48Å; P1054-C1114 WeakPolarHBondContact CD-O 3.38Å; Y1112-C1114 HydrophobicContact CE2-CB 4.45Å
1115	I	96.7	Very high	94.4	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.7	173.7	-58	169.7	0	0	0	107.7	I1002 C1012 W1013 F1015 L1037 P1054 L1101 I1103	I1002-I1115 HydrophobicContact CB-CG2 4.09Å; I1002-I1115 HydrophobicContact CG2-CB 3.79Å; I1002-I1115 HydrophobicContact CG2-CG2 3.69Å; C1012-I1115 CarbonylContact C-O 3.45Å; C1012-I1115 WeakPolarHBondContact CA-O 3.46Å; C1012-I1115 WeakPolarHBondContact CB-O 3.47Å; W1013-I1115 HydrophobicContact CE3-CD1 4.11Å; W1013-I1115 HydrophobicContact CZ3-CD1 4.18Å; W1013-I1115 PolarHBondContact N-O 3.42Å; W1013-I1115 PolarHBondContact O-N 3.17Å; W1013-I1115 VanDerWaalsContact O-N 3.09Å; F1015-I1115 HydrophobicContact CE1-CD1 3.8Å; F1015-I1115 HydrophobicContact CE1-CG1 4.07Å; L1037-I1115 HydrophobicContact CD1-CG2 4.08Å; P1054-I1115 HydrophobicContact CG-CG1 4.46Å; L1101-I1115 HydrophobicContact CD2-CD1 3.95Å; I1103-I1115 HydrophobicContact CD1-CD1 3.96Å; I1103-I1115 HydrophobicContact CG1-CD1 3.76Å; I1103-I1115 HydrophobicContact CG1-CG1 4.47Å
1116	Y	96	Very high	92.5	Very high	15 Å²	15	48 Å²	48	6%	0.059	27%	0.268	C	S	.	.			trans	-84.8	-58.3	178.1	-80.9	-105	0	0	0	110.9	I1002 N1008 G1010 C1012 E1038 H1039 L1040	I1002-Y1116 WeakPolarHBondContact CA-O 3.32Å; N1008-Y1116 WeakPolarHBondContact O-CE1 3.39Å; G1010-Y1116 PolarHBondContact N-OH 3.26Å; C1012-Y1116 HydrophobicContact CB-CD1 3.86Å; C1012-Y1116 HydrophobicContact CB-CD2 3.43Å; C1012-Y1116 VanDerWaalsContact CB-CD2 3.43Å; C1012-Y1116 HydrophobicContact CB-CE1 3.87Å; C1012-Y1116 HydrophobicContact CB-CE2 3.42Å; C1012-Y1116 VanDerWaalsContact CB-CE2 3.42Å; C1012-Y1116 HydrophobicContact CB-CG 3.63Å; C1012-Y1116 VanDerWaalsContact SG-CE2 3.57Å; E1038-Y1116 WeakPolarHBondContact O-CB 3.47Å; H1039-Y1116 AromaticContact CD2-CD2 3.59Å; H1039-Y1116 AromaticContact CD2-CE2 3.95Å; H1039-Y1116 AromaticContact CE1-CE2 3.63Å; H1039-Y1116 AromaticContact CG-CD2 3.86Å; H1039-Y1116 AromaticContact NE2-CD2 3.71Å; H1039-Y1116 AromaticContact NE2-CE2 3.55Å; L1040-Y1116 HydrophobicContact CB-CD1 4.4Å; L1040-Y1116 HydrophobicContact CB-CD2 4.35Å; L1040-Y1116 HydrophobicContact CB-CE1 3.86Å; L1040-Y1116 HydrophobicContact CB-CE2 3.82Å; L1040-Y1116 HydrophobicContact CD1-CE1 3.88Å; L1040-Y1116 HydrophobicContact CG-CE1 4.37Å
1117	R	96.2	Very high	92.3	Very high	5 Å²	5	49.5 Å²	49.5	2%	0.019	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	137.1	-179.6	-171.1	169.6	176.5	-156.8	-12.5	112.7	D953 D959 I1002 Q1004 E1038 R1119	D953-R1117 VanDerWaalsContact CG-NH1 3.29Å; D953-R1117 IonicContact OD1-CZ 2.73Å; D953-R1117 IonicContact OD1-NH1 3.42Å; D953-R1117 PolarHBondContact OD1-NH1 3.19Å; D953-R1117 IonicContact OD1-NH2 3.26Å; D953-R1117 IonicContact OD2-CZ 3.79Å; D953-R1117 IonicContact OD2-NH1 3.95Å; D953-R1117 PolarHBondContact OD2-NH1 3.29Å; D953-R1117 VanDerWaalsContact OD2-NH1 3.08Å; D953-R1117 IonicContact OD2-NH2 3.12Å; D953-R1117 PolarHBondContact OD2-NH2 3.34Å; D959-R1117 IonicContact OD2-CZ 2.85Å; D959-R1117 IonicContact OD2-NE 3.2Å; D959-R1117 IonicContact OD2-NH2 2.66Å; D959-R1117 PolarHBondContact OD2-NH2 2.62Å; D959-R1117 VanDerWaalsContact OD2-NH2 3.09Å; I1002-R1117 WeakPolarHBondContact O-CA 3.44Å; Q1004-R1117 WeakPolarHBondContact O-CD 3.17Å; E1038-R1117 HydrophobicContact CB-CB 4.14Å; E1038-R1117 PolarHBondContact N-O 3.29Å; E1038-R1117 PolarHBondContact O-N 2.72Å; R1117-R1119 HydrophobicContact CG-CG 4.31Å; R1117-R1119 VanDerWaalsContact CZ-NE 3.28Å
1118	F	97.8	Very high	92.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.7	175	-179.6	-105.5	0	0	0	109.5	I1002 I1024 V1035 T1036 L1037 V1059 V1099 L1101 V1120	I1002-F1118 PolarHBondContact O-N 3.14Å; I1024-F1118 HydrophobicContact CD1-CD1 3.53Å; I1024-F1118 HydrophobicContact CD1-CE1 3.87Å; V1035-F1118 HydrophobicContact CB-CE2 3.93Å; V1035-F1118 HydrophobicContact CB-CZ 4Å; V1035-F1118 HydrophobicContact CG1-CE2 4.3Å; V1035-F1118 HydrophobicContact CG1-CZ 3.85Å; V1035-F1118 HydrophobicContact CG2-CE2 4.47Å; T1036-F1118 WeakPolarHBondContact O-CA 3.49Å; L1037-F1118 HydrophobicContact CD1-CB 4.42Å; L1037-F1118 HydrophobicContact CD1-CD2 4.04Å; V1059-F1118 HydrophobicContact CG1-CZ 4.47Å; V1059-F1118 HydrophobicContact CG2-CE2 4.24Å; V1059-F1118 HydrophobicContact CG2-CZ 4.02Å; V1099-F1118 HydrophobicContact CG1-CE1 4.49Å; L1101-F1118 HydrophobicContact CB-CE1 4.43Å; L1101-F1118 HydrophobicContact CD1-CD2 4.16Å; L1101-F1118 HydrophobicContact CD1-CE2 3.86Å; L1101-F1118 HydrophobicContact CD1-CZ 4.24Å; L1101-F1118 HydrophobicContact CD2-CB 4.15Å; L1101-F1118 HydrophobicContact CD2-CD1 4.3Å; L1101-F1118 HydrophobicContact CD2-CD2 3.95Å; L1101-F1118 HydrophobicContact CD2-CE2 4.4Å; L1101-F1118 HydrophobicContact CD2-CG 3.87Å; F1118-V1120 HydrophobicContact CD1-CG2 4.13Å; F1118-V1120 HydrophobicContact CE1-CG2 3.44Å; F1118-V1120 VanDerWaalsContact CE1-CG2 3.44Å; F1118-V1120 HydrophobicContact CZ-CG2 4.04Å
1119	R	97.3	Very high	92.1	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.2	-178	-46.6	177.8	171.9	76.1	-7.3	109.9	D953 D959 V1035 T1036 E1038 R1117	D953-R1119 IonicContact OD1-NH2 2.65Å; D953-R1119 PolarHBondContact OD1-NH2 3.41Å; D953-R1119 IonicContact OD2-CZ 3.93Å; D953-R1119 IonicContact OD2-NE 3.71Å; D953-R1119 PolarHBondContact OD2-NE 3.03Å; D953-R1119 IonicContact OD2-NH2 2.71Å; D953-R1119 PolarHBondContact OD2-NH2 2.97Å; D959-R1119 HydrophobicContact CB-CB 4.32Å; D959-R1119 WeakPolarHBondContact OD1-CA 3.27Å; D959-R1119 WeakPolarHBondContact OD2-CG 3.31Å; V1035-R1119 CarbonylContact C-O 3.58Å; V1035-R1119 WeakPolarHBondContact CA-O 3.5Å; T1036-R1119 PolarHBondContact N-O 3.48Å; T1036-R1119 PolarHBondContact O-N 3.34Å; E1038-R1119 IonicContact OE2-CZ 2.7Å; E1038-R1119 IonicContact OE2-NH1 3.58Å; E1038-R1119 PolarHBondContact OE2-NH1 3.47Å; E1038-R1119 IonicContact OE2-NH2 3.09Å; E1038-R1119 PolarHBondContact OE2-NH2 3.47Å; R1117-R1119 HydrophobicContact CG-CG 4.31Å; R1117-R1119 VanDerWaalsContact CZ-NE 3.28Å
1120	V	97.5	Very high	92	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124	174.6	-175.4	0	0	0	0	109	D959 Y960 A961 L1026 I1030 I1032 V1035 F1118	D959-V1120 PolarHBondContact OD1-N 2.94Å; Y960-V1120 PolarHBondContact N-O 3.15Å; A961-V1120 HydrophobicContact CB-CB 4.05Å; A961-V1120 HydrophobicContact CB-CG2 3.84Å; L1026-V1120 HydrophobicContact CD1-CG1 4.12Å; L1026-V1120 HydrophobicContact CD2-CB 3.83Å; L1026-V1120 HydrophobicContact CD2-CG1 4.1Å; L1026-V1120 HydrophobicContact CD2-CG2 3.95Å; I1030-V1120 HydrophobicContact CD1-CG1 4.16Å; I1032-V1120 HydrophobicContact CD1-CG1 4.12Å; I1032-V1120 HydrophobicContact CG1-CG1 4Å; I1032-V1120 HydrophobicContact CG2-CG1 3.88Å; V1035-V1120 HydrophobicContact CG1-CG1 4.31Å; V1035-V1120 HydrophobicContact CG1-CG2 4.17Å; F1118-V1120 HydrophobicContact CD1-CG2 4.13Å; F1118-V1120 HydrophobicContact CE1-CG2 3.44Å; F1118-V1120 VanDerWaalsContact CE1-CG2 3.44Å; F1118-V1120 HydrophobicContact CZ-CG2 4.04Å
1121	H	96.7	Very high	92	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.014	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	149.3	-177.3	-51.7	-60.8	0	0	0	110.5	L957 T958 I1032 S1033 S1034 T1036	L957-H1121 HydrophobicContact CB-CB 4.33Å; L957-H1121 WeakPolarHBondContact CB-ND1 3.49Å; L957-H1121 HydrophobicContact CD1-CB 4.41Å; T958-H1121 PolarHBondContact O-ND1 3.49Å; I1032-H1121 WeakPolarHBondContact CA-O 3.44Å; S1033-H1121 PolarHBondContact N-O 2.89Å; S1033-H1121 PolarHBondContact OG-O 3.48Å; S1034-H1121 PolarHBondContact N-O 3.19Å; S1034-H1121 WeakPolarHBondContact O-CB 3.37Å; S1034-H1121 PolarHBondContact O-N 2.85Å; T1036-H1121 PolarHBondContact OG1-CD2 3.14Å; T1036-H1121 PolarHBondContact OG1-NE2 3.37Å
1122	G	93.9	Very high	91.9	Very high	9 Å²	9	41.4 Å²	41.4	9%	0.093	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-170.7	-178.7	0	0	0	0	0	112.8	Y960 I1031 S1033	Y960-G1122 WeakPolarHBondContact CE2-O 3.24Å; I1031-G1122 CarbonylContact O-C 3.41Å; I1031-G1122 WeakPolarHBondContact O-CA 3.22Å; S1033-G1122 WeakPolarHBondContact OG-CA 3.2Å; S1033-G1122 PolarHBondContact OG-N 3.48Å
1123	N	93.3	Very high	91.7	Very high	118 Å²	118	39.7 Å²	39.7	63%	0.631	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.2	177.5	-65.2	-29.2	0	0	0	109.7	I1030 I1031	I1030-N1123 WeakPolarHBondContact CA-O 2.92Å; I1031-N1123 PolarHBondContact N-O 3.5Å; I1031-N1123 PolarHBondContact O-N 3.48Å
1124	M	90.2	Very high	91.3	Very high	100 Å²	100	42.8 Å²	42.8	49%	0.493	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	144.1	168.3	-68.7	178.2	-73.1	0	0	109.4	Y960 I1030 T1126	Y960-M1124 HydrophobicContact CE1-CE 4.44Å; Y960-M1124 HydrophobicContact CE1-CG 3.77Å; Y960-M1124 HydrophobicContact CE1-SD 4.07Å; I1030-M1124 HydrophobicContact CG2-CG 3.88Å; M1124-T1126 PolarHBondContact O-N 2.95Å
1125	I	79.1	Confident	91	Very high	104 Å²	104	46.2 Å²	46.2	53%	0.533	26%	0.255	S	S	.	.			trans	-80.2	104.5	167.4	-53	-172.2	0	0	0	106	I1031	I1031-I1125 HydrophobicContact CD1-CD1 3.93Å; I1031-I1125 HydrophobicContact CD1-CG1 3.86Å; I1031-I1125 HydrophobicContact CG1-CD1 3.96Å; I1031-I1125 HydrophobicContact CG1-CG1 3.9Å
1126	T	57.5	Low	90.5	Very high	197 Å²	197	50.2 Å²	50.2	100%	1.209	28%	0.278	S	S	*	.			trans	-79.2	0	173	53.2	0	0	0	0	111.5	M1124	M1124-T1126 PolarHBondContact O-N 2.95Å

Retrieved 1,126 of 1,126 residues in 947.5 ms (Link to these results)

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