A0A087WYJ2_HUMAN Loading...

DNA polymerase

AlphaFold DB , UniProt , Accession A0A087WYJ2, Species HUMAN (Homo sapiens, Human), Gene POLD1, Length 1,083 aa.

						>A0A087WYJ2_HUMAN|A0A087WYJ2|POLD1
MDGKRRPGPGPGVPPKRARGGLWDDDDAPRPSQFEEDLALMEEMEAEHRLQEQEEEELQSVLEGVADGQVPPSAIDPRWLRPTPPALDPQTEPLIFQQLEIDHYVGPAQPVPGGPPPSRGSVPVLRAFGVTDEGFSVCCHIHGFAPYFYTPAPPGFGPEHMGDLQRELNLAISRDSRGGRELTGPAVLAVELCSRESMFGYHGHGPSPFLRITVALPRLVAPARRLLEQGIRVAGLGTPSFAPYEANVDFEIRFMVDTDIVGCNWLELPAGKYALRLKEKATQCQLEADVLWSDVVSHPPEGPWQRIAPLRVLSFDIECAGRKGIFPEPERDPVIQICSLGLRWGEPEPFLRLALTLRPCAPILGAKVQSYEKEEDLLQAWSTFIRIMDPDVITGYNIQNFDLPYLISRAQTLKVQTFPFLGRVAGLCSNIRDSSFQSKQTGRRDTKVVSMVGRVQMDMLQVLLREYKLRSYTLNAVSFHFLGEQKEDVQHSIITDLQNGNDQTRRRLAVYCLKDAYLPLRLLERLMVLVNAVEMARVTGVPLSYLLSRGQQVKVVSQLLRQAMHEGLLMPVVKSEGGEDYTGATVIEPLKGYYDVPIATLDFSSLYPSIMMAHNLCYTTLLRPGTAQKLGLTEDQFIRTPTGDEFVKTSVRKGLLPQILENLLSARKRAKAELAKETDPLRRQVLDGRQLALKSVTGFGRQMIEKTKQLVESKYTVENGYSTSAKVVYGDTDSVMCRFGVSSVAEAMALGREAADWVSGHFPSPIRLEFEKVYFPYLLISKKRYAGLLFSSRPDAHDRMDCKGLEAVRRDNCPLVANLVTASLRRLLIDRDPEGAVAHAQDVISDLLCNRIDISQLVITKELTRAASDYAGKQAHVELAERMRKRDPGSAPSLGDRVPYVIISAAKGVAAYMKSEDPLFVLEHSLPIDTQYYLEQQLAKPLLRIFEPILGEGRAEAVLLRGDHTRCKTVLTGKVGGLLAFAKRRNCCIGCRTVLSHQGAVCEFCQPRESELYQKEVSHLNALEERFSRLWTQCQRCQGSLHEDVICTSRDCPIFYMRKKVRKDLEDQEQLLRRFGPPGPEAW
					

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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	37.7	Very low	38.5	Very low	214 Å²	214	131 Å²	131	100%	1.054	74%	0.744	S	S	*	*				0	138.3	0	-79.1	65.4	-166.7	0	0	107.4
2	D	34.8	Very low	37.8	Very low	100 Å²	100	125.9 Å²	125.9	54%	0.535	74%	0.742	S	S	.	*				-165.1	155.9	-78.7	-78.4	-17.5	0	0	0	108	K4	D2-K4 HydrophobicContact CB-CD 4.27Å; D2-K4 VanDerWaalsContact CG-CD 3.44Å; D2-K4 VanDerWaalsContact CG-CE 3.42Å; D2-K4 VanDerWaalsContact OD1-CD 3.26Å; D2-K4 WeakPolarHBondContact OD1-CD 3.32Å; D2-K4 WeakPolarHBondContact OD1-CE 3.39Å; D2-K4 IonicContact OD1-NZ 2.82Å; D2-K4 PolarHBondContact OD1-NZ 3.22Å; D2-K4 VanDerWaalsContact OD1-NZ 3.15Å; D2-K4 WeakPolarHBondContact OD2-CE 3.34Å; D2-K4 IonicContact OD2-NZ 3.44Å; D2-K4 PolarHBondContact OD2-NZ 2.87Å
3	G	31.1	Very low	37.5	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	75%	0.748	S	S	*	*			cis	-99.1	166.7	4.6	0	0	0	0	0	115.4
4	K	33.3	Very low	39.1	Very low	125 Å²	125	125.6 Å²	125.6	54%	0.543	75%	0.747	S	S	.	*			cis	59.2	131.7	31.6	-58	179	178.2	155.6	0	111.5	D2	D2-K4 HydrophobicContact CB-CD 4.27Å; D2-K4 VanDerWaalsContact CG-CD 3.44Å; D2-K4 VanDerWaalsContact CG-CE 3.42Å; D2-K4 VanDerWaalsContact OD1-CD 3.26Å; D2-K4 WeakPolarHBondContact OD1-CD 3.32Å; D2-K4 WeakPolarHBondContact OD1-CE 3.39Å; D2-K4 IonicContact OD1-NZ 2.82Å; D2-K4 PolarHBondContact OD1-NZ 3.22Å; D2-K4 VanDerWaalsContact OD1-NZ 3.15Å; D2-K4 WeakPolarHBondContact OD2-CE 3.34Å; D2-K4 IonicContact OD2-NZ 3.44Å; D2-K4 PolarHBondContact OD2-NZ 2.87Å
5	R	37.4	Very low	39.8	Very low	208 Å²	208	123.5 Å²	123.5	79%	0.785	74%	0.738	S	S	*	*			cis	-165.3	142.8	5.5	-123	169.5	-168.7	167	-3.4	111.1
6	R	36.5	Very low	39.6	Very low	230 Å²	230	127.9 Å²	127.9	87%	0.868	75%	0.745	S	S	*	*			trans	-55.5	158	136.8	-71.5	175.6	168.7	-171.5	-2.5	109.3
7	P	43.8	Very low	39.3	Very low	115 Å²	115	133.8 Å²	133.8	75%	0.747	75%	0.751	S	S	*	*			cis	-119.4	-146.6	-4	23.5	2.9	0	0	0	109.1
8	G	36.8	Very low	38.9	Very low	57 Å²	57	131.4 Å²	131.4	59%	0.588	75%	0.751	S	S	*	*			cis	61.1	170.1	28.7	0	0	0	0	0	113.1
9	P	45.8	Very low	38.6	Very low	122 Å²	122	137.3 Å²	137.3	79%	0.792	76%	0.76	S	S	*	*			cis	-91.8	-167.1	-8.2	14.5	9	0	0	0	110.2
10	G	34	Very low	38	Very low	69 Å²	69	134.3 Å²	134.3	71%	0.711	76%	0.762	S	S	*	*			cis	77.2	171.1	26.2	0	0	0	0	0	112.4
11	P	52.1	Low	37.7	Very low	133 Å²	133	131.1 Å²	131.1	86%	0.864	76%	0.759	S	S	*	*			cis	-129.9	-178.4	-11.4	41	-25.3	0	0	0	113.4
12	G	29.8	Very low	37.5	Very low	70 Å²	70	127.6 Å²	127.6	72%	0.722	74%	0.744	S	S	*	*			trans	-170.8	101	171.3	0	0	0	0	0	115.3
13	V	34.2	Very low	37.5	Very low	135 Å²	135	132.9 Å²	132.9	82%	0.818	76%	0.756	S	S	*	*			trans	-165.6	169.6	179.1	-115.7	0	0	0	0	108
14	P	60.1	Low	37.4	Very low	113 Å²	113	136.3 Å²	136.3	73%	0.734	76%	0.758	S	S	*	*			cis	-119.4	-121.6	-7	24.2	3.3	0	0	0	108.9
15	P	49.8	Very low	37.5	Very low	94 Å²	94	137.7 Å²	137.7	61%	0.61	77%	0.772	S	S	*	*			cis	-143.3	135.8	-19.3	36	-12.9	0	0	0	119.5
16	K	36.4	Very low	37.2	Very low	194 Å²	194	135.9 Å²	135.9	84%	0.843	78%	0.778	S	S	*	*			trans	75.2	163.5	139.4	-61.3	173.6	177.2	173.5	0	117.3
17	R	34.1	Very low	37.1	Very low	227 Å²	227	131.7 Å²	131.7	86%	0.857	77%	0.773	S	S	*	*			cis	-161.1	133.3	20.2	-155.3	172.9	-172.3	175.8	1.1	115.5
18	A	32.6	Very low	36.7	Very low	91 Å²	91	130 Å²	130	75%	0.752	77%	0.768	S	S	*	*			trans	50.8	156.2	147.7	0	0	0	0	0	121.4
19	R	33.7	Very low	36.9	Very low	243 Å²	243	133.5 Å²	133.5	92%	0.917	78%	0.78	S	S	*	*			cis	-129.4	-178.9	4.6	-59.1	172.7	166.9	145.6	-4.9	109.2
20	G	26.7	Very low	36.9	Very low	77 Å²	77	137.6 Å²	137.6	79%	0.794	78%	0.78	S	S	*	*			cis	98.9	129.7	5	0	0	0	0	0	113.9
21	G	30.6	Very low	37.5	Very low	68 Å²	68	138.1 Å²	138.1	70%	0.701	77%	0.771	S	S	*	*			cis	167.5	-158.4	-2.1	0	0	0	0	0	112.2
22	L	34.1	Very low	37.9	Very low	141 Å²	141	134.6 Å²	134.6	74%	0.738	75%	0.75	S	S	*	*			trans	76	132.3	169.5	-54.9	156.3	0	0	0	115.8
23	W	33.9	Very low	38.9	Very low	211 Å²	211	138.1 Å²	138.1	80%	0.799	75%	0.747	S	S	*	*			cis	-128.5	-172.3	-4	-58.6	88.8	0	0	0	109
24	D	29.1	Very low	39.5	Very low	139 Å²	139	138.8 Å²	138.8	74%	0.743	74%	0.739	S	S	*	*			cis	-152.6	176.4	5.8	-119.9	-34.5	0	0	0	108.9
25	D	35.1	Very low	39.1	Very low	154 Å²	154	138.7 Å²	138.7	82%	0.824	73%	0.729	S	S	*	*			trans	-110.3	143.2	-176.2	-72.1	-60.3	0	0	0	114.7
26	D	31.5	Very low	39.4	Very low	171 Å²	171	139 Å²	139	91%	0.914	72%	0.722	S	S	*	*			trans	-177.6	106.2	132.8	-114.9	-16.2	0	0	0	109.8
27	D	34.1	Very low	40.1	Very low	142 Å²	142	133.7 Å²	133.7	76%	0.759	70%	0.703	S	S	*	*			trans	-138.7	111.3	179.4	-146.5	-4.6	0	0	0	109.7
28	A	36.8	Very low	40.9	Very low	79 Å²	79	127 Å²	127	65%	0.653	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-80.2	144.5	177.6	0	0	0	0	0	110.3	R30	A28-R30 PolarHBondContact O-N 3.27Å; A28-R30 VanDerWaalsContact O-N 3.17Å
29	P	40.9	Very low	42	Very low	130 Å²	130	125 Å²	125	84%	0.844	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-63.9	122	-177.8	26.9	-34.2	0	0	0	110.5
30	R	46.3	Very low	42.9	Very low	209 Å²	209	118 Å²	118	79%	0.789	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-65.9	149	169.9	-58.3	-177.6	-169.1	-167	1.3	109.5	A28	A28-R30 PolarHBondContact O-N 3.27Å; A28-R30 VanDerWaalsContact O-N 3.17Å
31	P	45.3	Very low	44.1	Very low	80 Å²	80	120 Å²	120	52%	0.519	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-54.4	154.7	172.7	-22.9	34.1	0	0	0	111.5	E35 E36	P31-E35 HydrophobicContact CB-CB 4.28Å; P31-E36 HydrophobicContact CB-CG 4.02Å
32	S	60.5	Low	45.1	Very low	59 Å²	59	123.2 Å²	123.2	41%	0.413	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-71.6	148.7	165.6	69.1	0	0	0	0	109.8	F34 E35 E36	S32-F34 PolarHBondContact O-N 2.68Å; S32-E35 VanDerWaalsContact CB-OE2 3.29Å; S32-E35 WeakPolarHBondContact CB-OE2 3.38Å; S32-E35 PolarHBondContact N-OE2 2.77Å; S32-E35 WeakPolarHBondContact O-CB 3.36Å; S32-E35 PolarHBondContact O-N 3.06Å; S32-E35 PolarHBondContact OG-OE2 3.34Å; S32-E36 PolarHBondContact O-N 3.06Å
33	Q	51.6	Low	46	Very low	144 Å²	144	122.5 Å²	122.5	67%	0.673	63%	0.628	S	S	*	*	H	α-helix	trans	-54.7	-28.4	179.4	-170.4	173.9	3.1	0	0	112.8	E36 D37	Q33-E36 PolarHBondContact O-N 3.09Å; Q33-D37 WeakPolarHBondContact O-CB 3.3Å; Q33-D37 PolarHBondContact O-N 2.6Å
34	F	45.4	Very low	47	Very low	148 Å²	148	118.5 Å²	118.5	65%	0.649	62%	0.62	S	S	*	*	H	α-helix	trans	-70.1	-31	174.8	-178.3	-100.9	0	0	0	113.5	S32 L38	S32-F34 PolarHBondContact O-N 2.68Å; F34-L38 HydrophobicContact CZ-CD1 4.4Å; F34-L38 WeakPolarHBondContact O-CB 3.35Å; F34-L38 PolarHBondContact O-N 3.07Å
35	E	52.9	Low	47.8	Very low	111 Å²	111	117.5 Å²	117.5	52%	0.519	61%	0.61	S	S	.	*	H	α-helix	trans	-76.4	-32.7	174.4	-68.4	158.2	127.7	0	0	111.1	P31 S32 A39	P31-E35 HydrophobicContact CB-CB 4.28Å; S32-E35 VanDerWaalsContact CB-OE2 3.29Å; S32-E35 WeakPolarHBondContact CB-OE2 3.38Å; S32-E35 PolarHBondContact N-OE2 2.77Å; S32-E35 WeakPolarHBondContact O-CB 3.36Å; S32-E35 PolarHBondContact O-N 3.06Å; S32-E35 PolarHBondContact OG-OE2 3.34Å; E35-A39 WeakPolarHBondContact O-CB 3.48Å; E35-A39 PolarHBondContact O-N 2.99Å
36	E	55.3	Low	48.7	Very low	100 Å²	100	112.2 Å²	112.2	47%	0.467	59%	0.588	S	S	.	*	H	α-helix	trans	-66.8	-46.1	170.5	-59.2	-178	148	0	0	111.1	P31 S32 Q33 L38 A39 L40	P31-E36 HydrophobicContact CB-CG 4.02Å; S32-E36 PolarHBondContact O-N 3.06Å; Q33-E36 PolarHBondContact O-N 3.09Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 2.95Å; E36-A39 PolarHBondContact O-N 3.33Å; E36-L40 WeakPolarHBondContact O-CG 3.41Å; E36-L40 PolarHBondContact O-N 3.46Å
37	D	51.9	Low	49.3	Very low	83 Å²	83	110.1 Å²	110.1	44%	0.444	57%	0.573	S	S	.	*	H	α-helix	trans	-61.6	-37.9	174.8	-71.5	-27.1	0	0	0	112	Q33 M41	Q33-D37 WeakPolarHBondContact O-CB 3.3Å; Q33-D37 PolarHBondContact O-N 2.6Å; D37-M41 WeakPolarHBondContact O-CG 3Å; D37-M41 PolarHBondContact O-N 3.18Å; D37-M41 VanDerWaalsContact O-N 3.13Å
38	L	50.4	Low	49.7	Very low	87 Å²	87	108.2 Å²	108.2	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-71	-41.1	178.5	-153.5	80.7	0	0	0	112	F34 E36 L40 M41 E42	F34-L38 HydrophobicContact CZ-CD1 4.4Å; F34-L38 WeakPolarHBondContact O-CB 3.35Å; F34-L38 PolarHBondContact O-N 3.07Å; E36-L38 VanDerWaalsContact C-N 3.33Å; E36-L38 PolarHBondContact O-N 2.95Å; L38-L40 VanDerWaalsContact C-N 3.34Å; L38-M41 PolarHBondContact O-N 3.12Å; L38-E42 PolarHBondContact O-N 3.11Å
39	A	56.2	Low	50.3	Low	50 Å²	50	111.1 Å²	111.1	41%	0.413	55%	0.553	S	S	.	*	H	α-helix	trans	-61.8	-42.6	174.5	0	0	0	0	0	111.3	E35 E36 M41 E42 E43	E35-A39 WeakPolarHBondContact O-CB 3.48Å; E35-A39 PolarHBondContact O-N 2.99Å; E36-A39 PolarHBondContact O-N 3.33Å; A39-M41 VanDerWaalsContact C-N 3.28Å; A39-M41 PolarHBondContact O-N 3.07Å; A39-E42 PolarHBondContact O-N 2.93Å; A39-E43 WeakPolarHBondContact O-CB 3.49Å; A39-E43 WeakPolarHBondContact O-CG 3.31Å; A39-E43 PolarHBondContact O-N 2.95Å
40	L	52.7	Low	50.4	Low	94 Å²	94	109.9 Å²	109.9	49%	0.492	54%	0.539	S	S	.	.	H	α-helix	trans	-59.4	-35.9	173.2	-80.8	163.8	0	0	0	112.8	E36 L38 M44	E36-L40 WeakPolarHBondContact O-CG 3.41Å; E36-L40 PolarHBondContact O-N 3.46Å; L38-L40 VanDerWaalsContact C-N 3.34Å; L40-M44 WeakPolarHBondContact O-CB 3.23Å; L40-M44 VanDerWaalsContact O-CG 3.28Å; L40-M44 WeakPolarHBondContact O-CG 3.47Å; L40-M44 PolarHBondContact O-N 2.92Å
41	M	51.5	Low	50.2	Low	119 Å²	119	105.4 Å²	105.4	59%	0.586	53%	0.527	S	S	*	.	H	α-helix	trans	-71.8	-39.9	174.7	-72.5	-166.7	69	0	0	113	D37 L38 A39 M44 E45	D37-M41 WeakPolarHBondContact O-CG 3Å; D37-M41 PolarHBondContact O-N 3.18Å; D37-M41 VanDerWaalsContact O-N 3.13Å; L38-M41 PolarHBondContact O-N 3.12Å; A39-M41 VanDerWaalsContact C-N 3.28Å; A39-M41 PolarHBondContact O-N 3.07Å; M41-M44 PolarHBondContact O-N 3.13Å; M41-E45 PolarHBondContact O-N 3.15Å
42	E	51.3	Low	49.8	Very low	137 Å²	137	106.5 Å²	106.5	64%	0.64	53%	0.525	S	S	*	.	H	α-helix	trans	-67.3	-35.3	174.4	-69.9	-167.8	158.2	0	0	112.1	L38 A39 A46	L38-E42 PolarHBondContact O-N 3.11Å; A39-E42 PolarHBondContact O-N 2.93Å; E42-A46 WeakPolarHBondContact O-CB 3.47Å; E42-A46 PolarHBondContact O-N 3.05Å
43	E	54.3	Low	48.8	Very low	126 Å²	126	110 Å²	110	59%	0.589	54%	0.535	S	S	*	.	H	α-helix	trans	-64.7	-47.1	170.7	-74.6	-175.6	156.1	0	0	111.4	A39 E45 A46 E47	A39-E43 WeakPolarHBondContact O-CB 3.49Å; A39-E43 WeakPolarHBondContact O-CG 3.31Å; A39-E43 PolarHBondContact O-N 2.95Å; E43-E45 PolarHBondContact O-N 2.96Å; E43-A46 CarbonylContact O-C 3.57Å; E43-A46 WeakPolarHBondContact O-CA 3.26Å; E43-A46 WeakPolarHBondContact O-CB 3.27Å; E43-A46 PolarHBondContact O-N 3.49Å; E43-E47 PolarHBondContact O-N 2.75Å
44	M	53.1	Low	48.3	Very low	127 Å²	127	109.3 Å²	109.3	63%	0.626	53%	0.532	S	S	*	.	H	α-helix	trans	-62.4	-37.6	175.7	-76.8	-177.7	67.3	0	0	113.1	L40 M41 A46 E47 H48	L40-M44 WeakPolarHBondContact O-CB 3.23Å; L40-M44 VanDerWaalsContact O-CG 3.28Å; L40-M44 WeakPolarHBondContact O-CG 3.47Å; L40-M44 PolarHBondContact O-N 2.92Å; M41-M44 PolarHBondContact O-N 3.13Å; M44-A46 VanDerWaalsContact C-N 3.29Å; M44-A46 PolarHBondContact O-N 2.71Å; M44-E47 PolarHBondContact O-N 2.85Å; M44-H48 WeakPolarHBondContact O-CB 3.12Å; M44-H48 PolarHBondContact O-N 2.86Å
45	E	46.8	Very low	48	Very low	118 Å²	118	108.3 Å²	108.3	55%	0.551	53%	0.529	S	S	*	.	H	α-helix	trans	-70.3	-25.2	172.8	-75.5	-167.1	179.2	0	0	112.5	M41 E43 R49	M41-E45 PolarHBondContact O-N 3.15Å; E43-E45 PolarHBondContact O-N 2.96Å; E45-R49 PolarHBondContact O-N 3.02Å; E45-R49 PolarHBondContact O-NE 3.47Å; E45-R49 PolarHBondContact O-NH2 3.3Å; E45-R49 VanDerWaalsContact O-NH2 3.16Å
46	A	53.4	Low	47.2	Very low	43 Å²	43	110.4 Å²	110.4	36%	0.355	54%	0.539	S	S	.	.	H	α-helix	trans	-74.7	-43.6	170.7	0	0	0	0	0	111.4	E42 E43 M44 R49 L50	E42-A46 WeakPolarHBondContact O-CB 3.47Å; E42-A46 PolarHBondContact O-N 3.05Å; E43-A46 CarbonylContact O-C 3.57Å; E43-A46 WeakPolarHBondContact O-CA 3.26Å; E43-A46 WeakPolarHBondContact O-CB 3.27Å; E43-A46 PolarHBondContact O-N 3.49Å; M44-A46 VanDerWaalsContact C-N 3.29Å; M44-A46 PolarHBondContact O-N 2.71Å; A46-R49 PolarHBondContact O-N 2.93Å; A46-L50 WeakPolarHBondContact O-CG 3.29Å; A46-L50 PolarHBondContact O-N 2.71Å
47	E	43.8	Very low	46.5	Very low	127 Å²	127	112.6 Å²	112.6	59%	0.593	55%	0.549	S	S	*	.	H	α-helix	trans	-60.1	-43.9	174.3	-71.7	-169.9	145	0	0	111.8	E43 M44 R49 L50 Q51	E43-E47 PolarHBondContact O-N 2.75Å; M44-E47 PolarHBondContact O-N 2.85Å; E47-R49 VanDerWaalsContact C-N 3.32Å; E47-R49 PolarHBondContact O-N 3.39Å; E47-L50 CarbonylContact O-C 3.57Å; E47-L50 WeakPolarHBondContact O-CB 3.23Å; E47-L50 PolarHBondContact O-N 2.83Å; E47-L50 VanDerWaalsContact O-N 3.1Å; E47-Q51 WeakPolarHBondContact O-CG 3.26Å; E47-Q51 PolarHBondContact O-N 3.42Å
48	H	44.4	Very low	45.8	Very low	102 Å²	102	114.2 Å²	114.2	47%	0.472	56%	0.557	S	S	.	*	H	α-helix	trans	-62.4	-38	178.3	-162.8	-72.5	0	0	0	112.5	M44 L50 Q51 E52	M44-H48 WeakPolarHBondContact O-CB 3.12Å; M44-H48 PolarHBondContact O-N 2.86Å; H48-L50 VanDerWaalsContact C-N 3.34Å; H48-Q51 PolarHBondContact O-N 2.75Å; H48-E52 IonicContact CE1-OE1 3.25Å; H48-E52 PolarHBondContact CE1-OE1 2.96Å; H48-E52 IonicContact ND1-OE1 2.68Å; H48-E52 PolarHBondContact ND1-OE1 3.19Å; H48-E52 WeakPolarHBondContact O-CG 3.34Å; H48-E52 PolarHBondContact O-N 2.71Å
49	R	47.4	Very low	45	Very low	140 Å²	140	116.9 Å²	116.9	53%	0.528	57%	0.567	S	S	.	*	H	α-helix	trans	-70.3	-29.7	174.9	-79	174.1	-72.8	-165.5	-6.7	112.7	E45 A46 E47 Q53	E45-R49 PolarHBondContact O-N 3.02Å; E45-R49 PolarHBondContact O-NE 3.47Å; E45-R49 PolarHBondContact O-NH2 3.3Å; E45-R49 VanDerWaalsContact O-NH2 3.16Å; A46-R49 PolarHBondContact O-N 2.93Å; E47-R49 VanDerWaalsContact C-N 3.32Å; E47-R49 PolarHBondContact O-N 3.39Å; R49-Q53 WeakPolarHBondContact O-CG 3.43Å; R49-Q53 PolarHBondContact O-N 2.97Å
50	L	44.7	Very low	43.8	Very low	103 Å²	103	118.8 Å²	118.8	54%	0.539	58%	0.578	S	S	.	*	H	α-helix	trans	-72.2	-39.3	171	-71.3	166	0	0	0	111.3	A46 E47 H48 Q53 E54	A46-L50 WeakPolarHBondContact O-CG 3.29Å; A46-L50 PolarHBondContact O-N 2.71Å; E47-L50 CarbonylContact O-C 3.57Å; E47-L50 WeakPolarHBondContact O-CB 3.23Å; E47-L50 PolarHBondContact O-N 2.83Å; E47-L50 VanDerWaalsContact O-N 3.1Å; H48-L50 VanDerWaalsContact C-N 3.34Å; L50-Q53 PolarHBondContact O-N 3.46Å; L50-E54 PolarHBondContact O-N 2.9Å
51	Q	40.7	Very low	43.2	Very low	115 Å²	115	118.2 Å²	118.2	54%	0.537	58%	0.578	S	S	.	*	H	α-helix	trans	-62.7	-42.6	173.6	-70.9	-168.7	-72.6	0	0	112.2	E47 H48 Q53 E54 E55	E47-Q51 WeakPolarHBondContact O-CG 3.26Å; E47-Q51 PolarHBondContact O-N 3.42Å; H48-Q51 PolarHBondContact O-N 2.75Å; Q51-Q53 VanDerWaalsContact C-N 3.27Å; Q51-Q53 PolarHBondContact O-N 2.85Å; Q51-E54 PolarHBondContact O-N 3.26Å; Q51-E55 WeakPolarHBondContact O-CB 3.35Å; Q51-E55 WeakPolarHBondContact O-CG 3.32Å; Q51-E55 PolarHBondContact O-N 3.41Å
52	E	36.9	Very low	42.4	Very low	104 Å²	104	119.4 Å²	119.4	49%	0.486	59%	0.586	S	S	.	*	H	α-helix	trans	-60.3	-36.3	175.1	-74.6	172.6	165.6	0	0	112	H48 E56	H48-E52 IonicContact CE1-OE1 3.25Å; H48-E52 PolarHBondContact CE1-OE1 2.96Å; H48-E52 IonicContact ND1-OE1 2.68Å; H48-E52 PolarHBondContact ND1-OE1 3.19Å; H48-E52 WeakPolarHBondContact O-CG 3.34Å; H48-E52 PolarHBondContact O-N 2.71Å; E52-E56 PolarHBondContact O-N 3.09Å
53	Q	39.3	Very low	41.5	Very low	131 Å²	131	122.1 Å²	122.1	61%	0.612	60%	0.598	S	S	*	*	H	α-helix	trans	-73	-39.6	173.6	-69.1	-168.9	-56.3	0	0	113.3	R49 L50 Q51 E55 E56 E57	R49-Q53 WeakPolarHBondContact O-CG 3.43Å; R49-Q53 PolarHBondContact O-N 2.97Å; L50-Q53 PolarHBondContact O-N 3.46Å; Q51-Q53 VanDerWaalsContact C-N 3.27Å; Q51-Q53 PolarHBondContact O-N 2.85Å; Q53-E55 VanDerWaalsContact C-N 3.33Å; Q53-E56 PolarHBondContact O-N 3.42Å; Q53-E57 PolarHBondContact O-N 3.43Å; Q53-E57 VanDerWaalsContact O-N 3.08Å
54	E	42.2	Very low	40.7	Very low	131 Å²	131	119.2 Å²	119.2	61%	0.612	60%	0.602	S	S	*	*	H	α-helix	trans	-66.2	-33.7	174.5	-73	-167.8	152.7	0	0	112	L50 Q51 E57 L58	L50-E54 PolarHBondContact O-N 2.9Å; Q51-E54 PolarHBondContact O-N 3.26Å; E54-E57 PolarHBondContact O-N 3.07Å; E54-L58 WeakPolarHBondContact O-CB 3.3Å; E54-L58 VanDerWaalsContact O-CD1 3.25Å; E54-L58 WeakPolarHBondContact O-CD1 3.41Å; E54-L58 PolarHBondContact O-N 2.89Å
55	E	39.2	Very low	39.9	Very low	127 Å²	127	119.9 Å²	119.9	59%	0.593	61%	0.613	S	S	*	*	H	α-helix	trans	-71.4	-37.4	175.1	-73.8	-162.7	164.9	0	0	113	Q51 Q53 L58 Q59	Q51-E55 WeakPolarHBondContact O-CB 3.35Å; Q51-E55 WeakPolarHBondContact O-CG 3.32Å; Q51-E55 PolarHBondContact O-N 3.41Å; Q53-E55 VanDerWaalsContact C-N 3.33Å; E55-L58 PolarHBondContact O-N 2.91Å; E55-Q59 PolarHBondContact O-N 2.92Å
56	E	36.3	Very low	39.3	Very low	155 Å²	155	118.9 Å²	118.9	72%	0.724	63%	0.625	S	S	*	*	H	α-helix	trans	-64.1	-40.7	170.9	-76.1	-163.1	145	0	0	112	E52 Q53	E52-E56 PolarHBondContact O-N 3.09Å; Q53-E56 PolarHBondContact O-N 3.42Å
57	E	39.3	Very low	38.3	Very low	145 Å²	145	123.5 Å²	123.5	68%	0.678	64%	0.644	S	S	*	*	H	α-helix	trans	-64.9	-42.5	172.5	-74.5	-155.4	153.7	0	0	111.9	Q53 E54 Q59 S60	Q53-E57 PolarHBondContact O-N 3.43Å; Q53-E57 VanDerWaalsContact O-N 3.08Å; E54-E57 PolarHBondContact O-N 3.07Å; E57-Q59 VanDerWaalsContact C-N 3.31Å; E57-Q59 PolarHBondContact O-N 3.2Å; E57-S60 WeakPolarHBondContact O-CB 3.41Å; E57-S60 PolarHBondContact O-N 2.96Å; E57-S60 VanDerWaalsContact O-N 3.1Å; E57-S60 PolarHBondContact O-OG 2.81Å
58	L	37.6	Very low	38.2	Very low	118 Å²	118	121 Å²	121	62%	0.618	65%	0.652	S	S	*	*	H	α-helix	trans	-59.9	-37.6	-179.2	-110.2	86	0	0	0	113	E54 E55 S60 V61	E54-L58 WeakPolarHBondContact O-CB 3.3Å; E54-L58 VanDerWaalsContact O-CD1 3.25Å; E54-L58 WeakPolarHBondContact O-CD1 3.41Å; E54-L58 PolarHBondContact O-N 2.89Å; E55-L58 PolarHBondContact O-N 2.91Å; L58-S60 PolarHBondContact O-N 3.39Å; L58-V61 PolarHBondContact O-N 3.39Å
59	Q	34	Very low	37.9	Very low	143 Å²	143	123.6 Å²	123.6	67%	0.668	66%	0.664	S	S	*	*	H	α-helix	trans	-64.2	-30.6	178.4	-71.6	-173.3	24.7	0	0	112.4	E55 E57 V61	E55-Q59 PolarHBondContact O-N 2.92Å; E57-Q59 VanDerWaalsContact C-N 3.31Å; E57-Q59 PolarHBondContact O-N 3.2Å; Q59-V61 VanDerWaalsContact C-N 3.29Å; Q59-V61 PolarHBondContact O-N 3.31Å
60	S	31	Very low	37.7	Very low	90 Å²	90	119.5 Å²	119.5	63%	0.629	66%	0.655	S	S	*	*	H	α-helix	trans	-70.3	-22	176.4	79	0	0	0	0	114.1	E57 L58	E57-S60 WeakPolarHBondContact O-CB 3.41Å; E57-S60 PolarHBondContact O-N 2.96Å; E57-S60 VanDerWaalsContact O-N 3.1Å; E57-S60 PolarHBondContact O-OG 2.81Å; L58-S60 PolarHBondContact O-N 3.39Å
61	V	39.5	Very low	37.7	Very low	82 Å²	82	117.9 Å²	117.9	50%	0.497	65%	0.651	S	S	.	*	H	α-helix	trans	-82.2	-20.3	-175.2	178.1	0	0	0	0	112.5	L58 Q59 E63	L58-V61 PolarHBondContact O-N 3.39Å; Q59-V61 VanDerWaalsContact C-N 3.29Å; Q59-V61 PolarHBondContact O-N 3.31Å; V61-E63 VanDerWaalsContact C-N 3.35Å; V61-E63 PolarHBondContact O-N 2.92Å
62	L	34.6	Very low	37.9	Very low	144 Å²	144	117.9 Å²	117.9	75%	0.754	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-15.9	-171	-74.7	168	0	0	0	115.3
63	E	34	Very low	38.3	Very low	193 Å²	193	117.6 Å²	117.6	90%	0.902	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-0.4	-178.7	-59.7	-159.9	135	0	0	114.3	V61	V61-E63 VanDerWaalsContact C-N 3.35Å; V61-E63 PolarHBondContact O-N 2.92Å
64	G	36	Very low	39.1	Very low	65 Å²	65	112.4 Å²	112.4	67%	0.67	65%	0.649	S	S	*	*			trans	-115.7	27	-161.1	0	0	0	0	0	118.8
65	V	36.9	Very low	40.3	Very low	141 Å²	141	108.7 Å²	108.7	86%	0.855	63%	0.633	S	S	*	*			trans	-104.3	84.1	-173.5	-170.2	0	0	0	0	112.7
66	A	34	Very low	41.9	Very low	97 Å²	97	103.6 Å²	103.6	80%	0.802	61%	0.61	S	S	*	*			trans	-143.1	17	-177.3	0	0	0	0	0	116.4
67	D	33	Very low	43.9	Very low	140 Å²	140	101.3 Å²	101.3	75%	0.749	61%	0.608	S	S	*	*	S	Bend	trans	-157.3	157.3	160	-137.7	-21.7	0	0	0	112	Q69	D67-Q69 PolarHBondContact O-N 3.49Å
68	G	42.2	Very low	45.5	Very low	74 Å²	74	101.1 Å²	101.1	76%	0.763	60%	0.602	S	S	*	*	S	Bend	trans	-74.1	29	-170.6	0	0	0	0	0	116.5
69	Q	37.4	Very low	47.7	Very low	157 Å²	157	96 Å²	96	73%	0.734	57%	0.574	S	S	*	*	S	Bend	trans	-97	140.5	179.7	-58.3	-173.2	21.8	0	0	110.6	D67 P71	D67-Q69 PolarHBondContact O-N 3.49Å; Q69-P71 WeakPolarHBondContact O-CD 3.48Å
70	V	43.6	Very low	50.4	Low	55 Å²	55	93.5 Å²	93.5	33%	0.333	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-63.9	119.5	169.6	178.1	0	0	0	0	107.6	A74 I75	V70-A74 HydrophobicContact CG1-CB 3.8Å; V70-I75 HydrophobicContact CG1-CG1 4.27Å
71	P	44.6	Very low	53.4	Low	69 Å²	69	90.1 Å²	90.1	45%	0.448	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-64	147	-177.3	25.3	-33.3	0	0	0	110.1	Q69 S73 A74	Q69-P71 WeakPolarHBondContact O-CD 3.48Å; P71-S73 PolarHBondContact O-N 3.41Å; P71-S73 VanDerWaalsContact O-N 3.1Å; P71-A74 HydrophobicContact CG-CB 3.95Å; P71-A74 WeakPolarHBondContact O-CB 3.36Å; P71-A74 PolarHBondContact O-N 3.17Å
72	P	45.4	Very low	56	Low	114 Å²	114	89.4 Å²	89.4	74%	0.74	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-54.7	-34.3	-175.1	-28.8	36.1	0	0	0	114.3	A74 I75	P72-A74 PolarHBondContact O-N 3.09Å; P72-I75 PolarHBondContact O-N 3.12Å
73	S	45.2	Very low	58.7	Low	98 Å²	98	88.6 Å²	88.6	69%	0.685	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-65.8	-18.5	175.9	49.9	0	0	0	0	114.7	P71	P71-S73 PolarHBondContact O-N 3.41Å; P71-S73 VanDerWaalsContact O-N 3.1Å
74	A	55.2	Low	61.4	Low	22 Å²	22	81.1 Å²	81.1	18%	0.182	51%	0.505	C	S	.	.	G	3₁₀ helix	trans	-86.4	-9	177.4	0	0	0	0	0	113.7	V70 P71 P72 D76	V70-A74 HydrophobicContact CG1-CB 3.8Å; P71-A74 HydrophobicContact CG-CB 3.95Å; P71-A74 WeakPolarHBondContact O-CB 3.36Å; P71-A74 PolarHBondContact O-N 3.17Å; P72-A74 PolarHBondContact O-N 3.09Å; A74-D76 PolarHBondContact O-N 2.97Å
75	I	67.3	Low	63.8	Low	54 Å²	54	82.2 Å²	82.2	28%	0.277	50%	0.5	S	S	.	.	S	Bend	trans	-85.7	107.2	177	-53.5	175.2	0	0	0	108.9	V70 P72 L80 I387	V70-I75 HydrophobicContact CG1-CG1 4.27Å; P72-I75 PolarHBondContact O-N 3.12Å; I75-L80 HydrophobicContact CG2-CD1 3.9Å; I75-I387 HydrophobicContact CD1-CD1 4.09Å; I75-I387 HydrophobicContact CG1-CD1 4.42Å; I75-I387 HydrophobicContact CG2-CG2 4.11Å
76	D	74.2	Confident	66	Low	20 Å²	20	80.7 Å²	80.7	11%	0.107	50%	0.503	C	S	.	.			trans	-64.4	121.4	174.5	176	-20.2	0	0	0	110	A74 R78 W79	A74-D76 PolarHBondContact O-N 2.97Å; D76-R78 PolarHBondContact O-N 3.2Å; D76-R78 VanDerWaalsContact O-N 3.08Å; D76-R78 WeakPolarHBondContact OD1-CB 3.48Å; D76-R78 VanDerWaalsContact OD1-CG 3.27Å; D76-R78 WeakPolarHBondContact OD1-CG 3.18Å; D76-R78 IonicContact OD1-CZ 3.89Å; D76-R78 PolarHBondContact OD1-N 2.96Å; D76-R78 IonicContact OD1-NE 2.74Å; D76-R78 PolarHBondContact OD1-NE 2.71Å; D76-R78 IonicContact OD2-CZ 2.74Å; D76-R78 IonicContact OD2-NE 2.96Å; D76-R78 PolarHBondContact OD2-NE 2.73Å; D76-R78 VanDerWaalsContact OD2-NE 3.12Å; D76-R78 IonicContact OD2-NH2 3.21Å; D76-R78 PolarHBondContact OD2-NH2 2.79Å; D76-W79 HydrophobicContact CB-CD2 4.04Å; D76-W79 HydrophobicContact CB-CG 4.09Å; D76-W79 HydrophobicContact CB-CZ2 4.24Å; D76-W79 VanDerWaalsContact O-CB 3.29Å; D76-W79 WeakPolarHBondContact O-CB 3.4Å; D76-W79 PolarHBondContact O-N 3.29Å
77	P	76.4	Confident	68.6	Low	106 Å²	106	78.1 Å²	78.1	69%	0.688	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-62.7	-21.5	-173.4	24.2	-33.9	0	0	0	113.1	W79 L80	P77-W79 PolarHBondContact O-N 2.91Å; P77-L80 PolarHBondContact O-N 2.94Å
78	R	74.7	Confident	71.4	Confident	141 Å²	141	74.7 Å²	74.7	53%	0.532	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-65.8	-19.4	175.4	-55.9	176.3	-64.5	172.5	-0.6	112.5	D76 F350	D76-R78 PolarHBondContact O-N 3.2Å; D76-R78 VanDerWaalsContact O-N 3.08Å; D76-R78 WeakPolarHBondContact OD1-CB 3.48Å; D76-R78 VanDerWaalsContact OD1-CG 3.27Å; D76-R78 WeakPolarHBondContact OD1-CG 3.18Å; D76-R78 IonicContact OD1-CZ 3.89Å; D76-R78 PolarHBondContact OD1-N 2.96Å; D76-R78 IonicContact OD1-NE 2.74Å; D76-R78 PolarHBondContact OD1-NE 2.71Å; D76-R78 IonicContact OD2-CZ 2.74Å; D76-R78 IonicContact OD2-NE 2.96Å; D76-R78 PolarHBondContact OD2-NE 2.73Å; D76-R78 VanDerWaalsContact OD2-NE 3.12Å; D76-R78 IonicContact OD2-NH2 3.21Å; D76-R78 PolarHBondContact OD2-NH2 2.79Å; R78-F350 VanDerWaalsContact O-CE2 3.28Å; R78-F350 WeakPolarHBondContact O-CE2 3.44Å
79	W	82.4	Confident	73.8	Confident	10 Å²	10	72.6 Å²	72.6	4%	0.038	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-73.8	-31.2	178.8	-62.4	3.8	0	0	0	112.4	D76 P77 R311 L353 K367 F384 I387 M388	D76-W79 HydrophobicContact CB-CD2 4.04Å; D76-W79 HydrophobicContact CB-CG 4.09Å; D76-W79 HydrophobicContact CB-CZ2 4.24Å; D76-W79 VanDerWaalsContact O-CB 3.29Å; D76-W79 WeakPolarHBondContact O-CB 3.4Å; D76-W79 PolarHBondContact O-N 3.29Å; P77-W79 PolarHBondContact O-N 2.91Å; W79-R311 PolarHBondContact O-NH1 3.35Å; W79-L353 HydrophobicContact CH2-CD1 4.18Å; W79-L353 HydrophobicContact CH2-CD2 3.83Å; W79-L353 HydrophobicContact CZ2-CD1 3.94Å; W79-L353 HydrophobicContact CZ2-CD2 3.82Å; W79-L353 HydrophobicContact CZ2-CG 4.4Å; W79-K367 HydrophobicContact CZ2-CD 4.18Å; W79-F384 HydrophobicContact CD2-CD2 4.02Å; W79-F384 HydrophobicContact CD2-CE2 4.17Å; W79-F384 AromaticContact CE3-CD2 3.71Å; W79-F384 HydrophobicContact CE3-CD2 3.71Å; W79-F384 HydrophobicContact CE3-CE2 4.32Å; W79-F384 HydrophobicContact CH2-CD2 4.17Å; W79-F384 HydrophobicContact CZ2-CD2 4.46Å; W79-F384 HydrophobicContact CZ3-CB 4.45Å; W79-F384 AromaticContact CZ3-CD2 3.79Å; W79-F384 HydrophobicContact CZ3-CD2 3.79Å; W79-I387 HydrophobicContact CB-CG2 4.4Å; W79-M388 WeakPolarHBondContact O-CA 3.31Å
80	L	92.1	Very high	76.4	Confident	91 Å²	91	72.3 Å²	72.3	48%	0.476	43%	0.428	S	S	.	.	S	Bend	trans	-71.3	153.7	-177.8	-66.8	92.4	0	0	0	111.1	I75 P77 R311 I387	I75-L80 HydrophobicContact CG2-CD1 3.9Å; P77-L80 PolarHBondContact O-N 2.94Å; L80-R311 PolarHBondContact O-NH2 2.96Å; L80-I387 HydrophobicContact CG-CG2 4.26Å
81	R	93.8	Very high	78.8	Confident	19 Å²	19	74.2 Å²	74.2	7%	0.072	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-73.7	151.3	164.1	-74.6	-175.6	-176.3	-91.9	-2.9	109.5	G134 D389 D391	R81-G134 PolarHBondContact NH1-O 2.84Å; R81-D389 IonicContact CZ-OD2 3.72Å; R81-D389 IonicContact NE-OD2 2.8Å; R81-D389 PolarHBondContact NE-OD2 2.86Å; R81-D389 VanDerWaalsContact NE-OD2 3.1Å; R81-D389 PolarHBondContact NH2-O 2.88Å; R81-D389 IonicContact NH2-OD2 3.69Å; R81-D391 IonicContact CZ-OD2 3.33Å; R81-D391 IonicContact NH1-OD2 2.7Å; R81-D391 IonicContact NH2-OD1 3.78Å; R81-D391 PolarHBondContact NH2-OD1 3.08Å; R81-D391 VanDerWaalsContact NH2-OD1 3.09Å; R81-D391 IonicContact NH2-OD2 2.66Å; R81-D391 PolarHBondContact NH2-OD2 2.82Å
82	P	92.8	Very high	81.2	Confident	68 Å²	68	74.9 Å²	74.9	44%	0.442	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-56.9	144.2	173.8	25.8	-34.5	0	0	0	110.4	F135 Q285	P82-F135 HydrophobicContact CB-CE1 4.03Å; P82-F135 HydrophobicContact CG-CD1 4.05Å; P82-F135 HydrophobicContact CG-CE1 3.83Å; P82-F135 VanDerWaalsContact O-CD1 3.25Å; P82-F135 WeakPolarHBondContact O-CD1 3.42Å; P82-F135 WeakPolarHBondContact O-CE1 3.2Å; P82-Q285 PolarHBondContact O-NE2 3.19Å
83	T	92.8	Very high	83.6	Confident	126 Å²	126	72.2 Å²	72.2	77%	0.773	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-69.4	129.4	180	-54	0	0	0	0	110
84	P	90.3	Very high	86.1	Confident	36 Å²	36	67.9 Å²	67.9	23%	0.234	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-66.5	146.3	176.5	28.7	-35.5	0	0	0	111.4	F135 Q285 L286	P84-F135 HydrophobicContact CB-CD1 4.17Å; P84-F135 HydrophobicContact CB-CD2 4.08Å; P84-F135 HydrophobicContact CB-CE1 4.29Å; P84-F135 HydrophobicContact CB-CE2 4.22Å; P84-F135 HydrophobicContact CB-CG 4.09Å; P84-F135 HydrophobicContact CB-CZ 4.34Å; P84-Q285 HydrophobicContact CG-CB 4.39Å; P84-L286 HydrophobicContact CB-CD2 4.09Å; P84-L286 HydrophobicContact CB-CG 4.48Å; P84-L286 HydrophobicContact CG-CD2 4.23Å
85	P	85	Confident	88.1	Confident	88 Å²	88	69.5 Å²	69.5	57%	0.571	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-66.7	168.9	171.4	30.4	-35.6	0	0	0	111.5	L87	P85-L87 PolarHBondContact O-N 2.73Å
86	A	84.1	Confident	89.6	Confident	110 Å²	110	67 Å²	67	91%	0.909	38%	0.381	S	S	*	.			trans	-71.9	87.5	175.2	0	0	0	0	0	111.1
87	L	88.9	Confident	90.7	Very high	42 Å²	42	66 Å²	66	22%	0.22	38%	0.376	C	S	.	.			trans	-78.6	117	177.7	-174.3	73.6	0	0	0	110.8	P85 E92 L94 Y273 L275 L286	P85-L87 PolarHBondContact O-N 2.73Å; L87-E92 HydrophobicContact CD1-CB 3.46Å; L87-E92 VanDerWaalsContact CD1-CB 3.46Å; L87-E92 HydrophobicContact CD1-CG 4.11Å; L87-E92 HydrophobicContact CG-CB 4.44Å; L87-L94 HydrophobicContact CD2-CD1 4.16Å; L87-Y273 HydrophobicContact CD2-CE2 4.32Å; L87-L275 HydrophobicContact CD2-CD1 4.3Å; L87-L286 HydrophobicContact CD2-CD1 4.41Å
88	D	92.3	Very high	91.7	Very high	68 Å²	68	61.2 Å²	61.2	36%	0.364	34%	0.344	S	S	.	.			trans	-91.1	116.5	170.3	-170.4	-30	0	0	0	109.9	Q90 T91 E92	D88-Q90 PolarHBondContact O-N 2.91Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.28Å; D88-Q90 PolarHBondContact OD1-N 2.99Å; D88-T91 PolarHBondContact O-N 2.8Å; D88-E92 PolarHBondContact O-N 2.81Å; D88-E92 VanDerWaalsContact O-OE2 3.12Å
89	P	92.1	Very high	92.7	Very high	31 Å²	31	54.9 Å²	54.9	20%	0.201	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-8.1	-178.3	28.8	-35.9	0	0	0	114.2	G271 Y273 L275	P89-G271 WeakPolarHBondContact O-CA 3.34Å; P89-G271 PolarHBondContact O-N 3.08Å; P89-Y273 HydrophobicContact CB-CD2 3.97Å; P89-Y273 HydrophobicContact CB-CE1 4.41Å; P89-Y273 HydrophobicContact CB-CE2 3.62Å; P89-L275 HydrophobicContact CB-CG 4.36Å; P89-L275 HydrophobicContact CG-CD1 4.4Å; P89-L275 HydrophobicContact CG-CG 4.38Å
90	Q	91.5	Very high	93.3	Very high	151 Å²	151	55.9 Å²	55.9	71%	0.706	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-27.1	175.8	-64.8	177.3	88.4	0	0	113.4	D88	D88-Q90 PolarHBondContact O-N 2.91Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.28Å; D88-Q90 PolarHBondContact OD1-N 2.99Å
91	T	93.7	Very high	93.3	Very high	95 Å²	95	52.4 Å²	52.4	58%	0.583	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-35.2	-172.4	34.3	0	0	0	0	113.7	D88 A270	D88-T91 PolarHBondContact O-N 2.8Å; T91-A270 WeakPolarHBondContact O-CB 3.49Å
92	E	95.1	Very high	93.1	Very high	82 Å²	82	53.5 Å²	53.5	38%	0.383	32%	0.315	S	S	.	.			trans	-100.6	139.2	-177.1	-77	73	-163.8	0	0	112.5	L87 D88 Y273	L87-E92 HydrophobicContact CD1-CB 3.46Å; L87-E92 VanDerWaalsContact CD1-CB 3.46Å; L87-E92 HydrophobicContact CD1-CG 4.11Å; L87-E92 HydrophobicContact CG-CB 4.44Å; D88-E92 PolarHBondContact O-N 2.81Å; D88-E92 VanDerWaalsContact O-OE2 3.12Å; E92-Y273 WeakPolarHBondContact O-CE1 3.35Å; E92-Y273 PolarHBondContact O-OH 2.93Å
93	P	95.9	Very high	93.1	Very high	58 Å²	58	53 Å²	53	38%	0.377	31%	0.307	S	S	.	.			trans	-78.5	153.9	166.5	34.1	-34	0	0	0	111.3	E267 L268	P93-E267 HydrophobicContact CB-CG 4.37Å; P93-L268 CarbonylContact C-O 3.6Å; P93-L268 VanDerWaalsContact CA-O 3.23Å; P93-L268 WeakPolarHBondContact CA-O 3.47Å
94	L	96.7	Very high	93.1	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.037	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.9	171.8	-179.9	58.6	0	0	0	110.6	L87 F96 T131 V137 E267 L268 Y273 L286 A288	L87-L94 HydrophobicContact CD2-CD1 4.16Å; L94-F96 HydrophobicContact CG-CD1 4.48Å; L94-T131 HydrophobicContact CD1-CG2 4.28Å; L94-V137 HydrophobicContact CD2-CG1 4.05Å; L94-E267 WeakPolarHBondContact O-CA 3.18Å; L94-L268 HydrophobicContact CB-CB 4.27Å; L94-L268 HydrophobicContact CB-CD1 4.44Å; L94-L268 HydrophobicContact CB-CG 4.43Å; L94-L268 HydrophobicContact CD2-CD1 4.2Å; L94-L268 PolarHBondContact N-O 2.92Å; L94-L268 PolarHBondContact O-N 2.91Å; L94-Y273 HydrophobicContact CB-CE1 4.31Å; L94-Y273 HydrophobicContact CB-CE2 4.17Å; L94-L286 HydrophobicContact CD1-CD1 3.78Å; L94-A288 HydrophobicContact CD2-CB 4.43Å
95	I	98	Very high	92.9	Very high	57 Å²	57	50.5 Å²	50.5	29%	0.292	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.7	-178.6	-55.9	176.3	0	0	0	109.9	W265 L266 E267 W304	I95-W265 HydrophobicContact CG2-CE3 4.06Å; I95-W265 HydrophobicContact CG2-CZ3 4.46Å; I95-L266 WeakPolarHBondContact CA-O 3.38Å; I95-E267 HydrophobicContact CD1-CG 4.47Å; I95-E267 HydrophobicContact CG1-CB 4.05Å; I95-E267 HydrophobicContact CG1-CG 3.89Å; I95-W304 HydrophobicContact CG2-CH2 4.23Å; I95-W304 HydrophobicContact CG2-CZ3 4.01Å
96	F	98.3	Very high	92.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	153.9	-177.4	73.4	-78.1	0	0	0	113	L94 Q98 A127 V130 T131 V137 C139 W265 L266 L268	L94-F96 HydrophobicContact CG-CD1 4.48Å; F96-Q98 HydrophobicContact CE2-CB 4.33Å; F96-A127 HydrophobicContact CE2-CB 4.49Å; F96-A127 HydrophobicContact CZ-CB 4.43Å; F96-V130 CarbonylContact C-O 3.59Å; F96-V130 WeakPolarHBondContact CA-O 3.46Å; F96-V130 WeakPolarHBondContact CB-O 3.35Å; F96-T131 HydrophobicContact CB-CG2 4.41Å; F96-V137 HydrophobicContact CB-CB 4.46Å; F96-V137 HydrophobicContact CB-CG2 4.06Å; F96-V137 HydrophobicContact CD1-CG1 4.18Å; F96-V137 HydrophobicContact CD2-CB 4.13Å; F96-V137 HydrophobicContact CD2-CG1 4.17Å; F96-V137 HydrophobicContact CE1-CG1 4.33Å; F96-V137 HydrophobicContact CE2-CG1 4.32Å; F96-V137 HydrophobicContact CG-CB 4.23Å; F96-V137 HydrophobicContact CG-CG1 4.1Å; F96-V137 HydrophobicContact CG-CG2 4.33Å; F96-V137 HydrophobicContact CZ-CG1 4.4Å; F96-C139 HydrophobicContact CE1-CB 4.25Å; F96-C139 HydrophobicContact CZ-CB 3.74Å; F96-W265 VanDerWaalsContact C-CE3 3.43Å; F96-L266 HydrophobicContact CD1-CB 4.43Å; F96-L266 HydrophobicContact CE1-CB 4.01Å; F96-L266 HydrophobicContact CE2-CD1 4.39Å; F96-L266 HydrophobicContact CZ-CB 4.19Å; F96-L266 HydrophobicContact CZ-CD1 3.97Å; F96-L266 PolarHBondContact N-O 3.29Å; F96-L266 PolarHBondContact O-N 3.12Å; F96-L268 HydrophobicContact CE1-CG 4.46Å
97	Q	98.4	Very high	92.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.7	172.3	-167.9	-177.2	12.2	0	0	110	G129 V130 C263 N264 W265 A308 R537	Q97-G129 CarbonylContact O-C 3.59Å; Q97-G129 WeakPolarHBondContact O-CA 3.49Å; Q97-V130 PolarHBondContact N-O 2.98Å; Q97-V130 PolarHBondContact O-N 2.82Å; Q97-C263 PolarHBondContact NE2-O 2.69Å; Q97-N264 WeakPolarHBondContact CA-O 3.37Å; Q97-W265 HydrophobicContact CB-CD2 3.95Å; Q97-W265 HydrophobicContact CB-CE3 3.99Å; Q97-W265 HydrophobicContact CB-CH2 4.1Å; Q97-W265 HydrophobicContact CB-CZ2 4.05Å; Q97-W265 HydrophobicContact CB-CZ3 4.07Å; Q97-W265 HydrophobicContact CG-CD2 4.44Å; Q97-A308 HydrophobicContact CB-CB 4.13Å; Q97-R537 VanDerWaalsContact NE2-NH2 3.14Å
98	Q	97.6	Very high	91.4	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.019	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	148.6	174.4	65.6	155.7	18.4	0	0	112.4	F96 V261 C263 N264 L266	F96-Q98 HydrophobicContact CE2-CB 4.33Å; Q98-V261 PolarHBondContact NE2-O 3.13Å; Q98-C263 VanDerWaalsContact O-CA 3.31Å; Q98-C263 WeakPolarHBondContact O-CA 3.42Å; Q98-N264 PolarHBondContact N-O 3.46Å; Q98-L266 HydrophobicContact CB-CD1 4.06Å; Q98-L266 HydrophobicContact CG-CD1 4.05Å; Q98-L266 HydrophobicContact CG-CG 4.29Å
99	L	94.9	Very high	90.4	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.047	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-46.3	178.7	-61.2	176.6	0	0	0	112.4	F128 L310 D391 V455	L99-F128 PolarHBondContact N-O 3.22Å; L99-L310 HydrophobicContact CD1-CD2 4.14Å; L99-L310 HydrophobicContact CD2-CD1 4.01Å; L99-L310 HydrophobicContact CD2-CD2 3.96Å; L99-D391 HydrophobicContact CD1-CB 3.71Å; L99-V455 HydrophobicContact CB-CG2 4.43Å
100	E	94.4	Very high	89.3	Confident	30 Å²	30	46.9 Å²	46.9	14%	0.14	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140.7	179.8	-176.8	164.3	-110.3	0	0	110.4	F128 G453 R454 V455	E100-F128 PolarHBondContact N-O 3.06Å; E100-F128 PolarHBondContact O-N 2.84Å; E100-G453 WeakPolarHBondContact OE2-CA 3.3Å; E100-G453 PolarHBondContact OE2-N 3.4Å; E100-R454 PolarHBondContact OE2-N 3.44Å; E100-V455 HydrophobicContact CB-CG2 4.45Å
101	I	92.6	Very high	88.6	Confident	19 Å²	19	40.5 Å²	40.5	10%	0.097	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.8	169.6	61.5	177	0	0	0	109.7	R126 A127 E251 M255 P542	I101-R126 VanDerWaalsContact CA-O 3.3Å; I101-R126 WeakPolarHBondContact CA-O 3.42Å; I101-A127 HydrophobicContact CG2-CB 4.19Å; I101-E251 HydrophobicContact CD1-CB 3.84Å; I101-E251 HydrophobicContact CG1-CB 4.24Å; I101-M255 HydrophobicContact CD1-CG 3.52Å; I101-M255 HydrophobicContact CD1-SD 3.45Å; I101-M255 WeakPolarHBondContact CD1-SD 3.47Å; I101-P542 HydrophobicContact CD1-CG 4.21Å; I101-P542 HydrophobicContact CG1-CG 4.18Å
102	D	90.7	Very high	87.7	Confident	41 Å²	41	38.3 Å²	38.3	22%	0.219	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	163.4	-177.6	173.6	50	0	0	0	109	L125 R126 V452	D102-L125 CarbonylContact O-C 3.55Å; D102-L125 WeakPolarHBondContact O-CA 3.43Å; D102-R126 PolarHBondContact N-O 3.31Å; D102-R126 PolarHBondContact O-N 3.17Å; D102-R126 IonicContact OD2-CZ 3.71Å; D102-R126 IonicContact OD2-NE 3.15Å; D102-R126 PolarHBondContact OD2-NE 2.91Å; D102-R126 IonicContact OD2-NH2 2.74Å; D102-R126 PolarHBondContact OD2-NH2 3.29Å; D102-V452 HydrophobicContact CB-CG1 4.49Å
103	H	92.5	Very high	86.5	Confident	58 Å²	58	38.4 Å²	38.4	27%	0.269	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.4	171.3	82	-86.7	0	0	0	111.7	V124 L125 F250 E251	H103-V124 WeakPolarHBondContact CA-O 3.42Å; H103-L125 HydrophobicContact CB-CG 4.41Å; H103-F250 HydrophobicContact CB-CD1 3.91Å; H103-F250 HydrophobicContact CB-CE1 3.97Å; H103-F250 AromaticContact CG-CD1 3.78Å; H103-E251 IonicContact CE1-OE1 2.71Å; H103-E251 IonicContact CG-OE1 2.73Å; H103-E251 IonicContact ND1-OE1 2.66Å; H103-E251 PolarHBondContact ND1-OE1 3.09Å
104	Y	91.3	Very high	85	Confident	48 Å²	48	36.7 Å²	36.7	19%	0.188	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	167	169.4	76.2	-79.9	0	0	0	110.7	P123 V124 R126 H140	Y104-P123 WeakPolarHBondContact O-CA 3.43Å; Y104-V124 HydrophobicContact CD1-CB 4.15Å; Y104-V124 HydrophobicContact CD1-CG1 4.5Å; Y104-V124 WeakPolarHBondContact CD1-O 3.2Å; Y104-V124 HydrophobicContact CE1-CB 3.63Å; Y104-V124 HydrophobicContact CE1-CG1 3.64Å; Y104-V124 HydrophobicContact CE2-CB 4.46Å; Y104-V124 PolarHBondContact N-O 3.06Å; Y104-V124 PolarHBondContact O-N 2.58Å; Y104-R126 HydrophobicContact CD1-CG 3.76Å; Y104-R126 HydrophobicContact CE1-CG 3.74Å; Y104-H140 AromaticContact CE1-ND1 3.64Å; Y104-H140 AromaticContact CZ-ND1 4Å
105	V	87.8	Confident	83.5	Confident	62 Å²	62	41 Å²	41	38%	0.376	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.4	173.9	178.2	0	0	0	0	107.7	V122 L216	V105-V122 WeakPolarHBondContact CA-O 3.25Å; V105-L216 HydrophobicContact CG1-CD1 4.48Å; V105-L216 HydrophobicContact CG1-CD2 3.88Å; V105-L216 HydrophobicContact CG2-CD2 3.96Å
106	G	81.6	Confident	81.7	Confident	9 Å²	9	43.7 Å²	43.7	9%	0.093	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	-178.8	-174.3	0	0	0	0	0	113.3	S121 V122	G106-S121 WeakPolarHBondContact O-CA 3.39Å; G106-V122 PolarHBondContact N-O 3.36Å; G106-V122 WeakPolarHBondContact O-CG2 3.3Å; G106-V122 PolarHBondContact O-N 2.83Å
107	P	74.3	Confident	79.8	Confident	82 Å²	82	47.6 Å²	47.6	53%	0.532	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	147.8	173.6	30.7	-34.8	0	0	0	110.9	Q109	P107-Q109 PolarHBondContact O-N 3.08Å
108	A	68.9	Low	77.8	Confident	22 Å²	22	50.3 Å²	50.3	18%	0.182	33%	0.325	C	S	.	.			trans	-71.6	114.9	173.4	0	0	0	0	0	110.2	P117 V122	A108-P117 VanDerWaalsContact O-CB 3.32Å; A108-P117 WeakPolarHBondContact O-CB 3.04Å; A108-V122 HydrophobicContact CB-CG1 4.46Å; A108-V122 HydrophobicContact CB-CG2 3.87Å
109	Q	71.7	Confident	75.6	Confident	65 Å²	65	62.2 Å²	62.2	30%	0.304	37%	0.37	S	S	.	.			trans	-85.6	150.9	176.6	-68.8	-67.8	6.8	0	0	111.3	P107 V111	P107-Q109 PolarHBondContact O-N 3.08Å; Q109-V111 PolarHBondContact O-N 3.08Å
110	P	69	Low	74.1	Confident	85 Å²	85	62.6 Å²	62.6	55%	0.552	38%	0.376	S	S	*	.			trans	-73.3	116.9	177.2	30	-32.6	0	0	0	110.6
111	V	77.2	Confident	73	Confident	16 Å²	16	64.2 Å²	64.2	10%	0.097	39%	0.391	C	S	.	.			trans	-114.6	152.5	174.5	-61.2	0	0	0	0	111.1	Q109 G113 G114 H142 D289 L291	Q109-V111 PolarHBondContact O-N 3.08Å; V111-G113 PolarHBondContact O-N 2.88Å; V111-G114 PolarHBondContact O-N 2.9Å; V111-H142 HydrophobicContact CG1-CB 4.43Å; V111-D289 HydrophobicContact CG1-CB 3.76Å; V111-L291 HydrophobicContact CG2-CB 4.15Å; V111-L291 HydrophobicContact CG2-CD1 4.22Å
112	P	74.2	Confident	72.6	Confident	50 Å²	50	65.3 Å²	65.3	33%	0.325	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	126.7	176.4	-26.2	35.6	0	0	0	111.8	G114	P112-G114 PolarHBondContact O-N 3.27Å; P112-G114 VanDerWaalsContact O-N 3.12Å
113	G	69.9	Low	72.6	Confident	83 Å²	83	63.8 Å²	63.8	86%	0.856	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	-0.5	-177.9	0	0	0	0	0	116.2	V111	V111-G113 PolarHBondContact O-N 2.88Å
114	G	65.6	Low	72.6	Confident	23 Å²	23	61.1 Å²	61.1	24%	0.237	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-75	164.5	-179.7	0	0	0	0	0	114.4	V111 P112	V111-G114 PolarHBondContact O-N 2.9Å; P112-G114 PolarHBondContact O-N 3.27Å; P112-G114 VanDerWaalsContact O-N 3.12Å
115	P	64.3	Low	72.7	Confident	96 Å²	96	59 Å²	59	62%	0.623	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-63.5	153.4	170.8	29	-35.1	0	0	0	111.3
116	P	60.5	Low	73.1	Confident	114 Å²	114	57 Å²	57	74%	0.74	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-61	145.1	-177.9	25.1	-34.5	0	0	0	112.1	S118	P116-S118 PolarHBondContact O-N 3.48Å
117	P	58.3	Low	73.8	Confident	82 Å²	82	56.6 Å²	56.6	53%	0.532	35%	0.352	S	S	.	.			trans	-62	112.5	-171.5	23.9	-34.3	0	0	0	111.7	A108	A108-P117 VanDerWaalsContact O-CB 3.32Å; A108-P117 WeakPolarHBondContact O-CB 3.04Å
118	S	56.8	Low	75	Confident	58 Å²	58	52.8 Å²	52.8	41%	0.406	33%	0.327	S	S	.	.			trans	-82.4	145.2	178.4	102.6	0	0	0	0	111.1	P116 G120	P116-S118 PolarHBondContact O-N 3.48Å; S118-G120 PolarHBondContact O-N 2.8Å; S118-G120 PolarHBondContact OG-N 3.45Å; S118-G120 VanDerWaalsContact OG-N 3.09Å
119	R	51	Low	76.4	Confident	254 Å²	254	51.8 Å²	51.8	96%	0.958	32%	0.319	S	S	*	.	S	Bend	trans	-73.9	6.3	170	-66.9	-175	175.6	-175.7	-1.5	113.7
120	G	62.7	Low	77.6	Confident	17 Å²	17	48.7 Å²	48.7	18%	0.175	30%	0.304	C	S	.	.	S	Bend	trans	-92.1	148.7	178.9	0	0	0	0	0	112.6	S118 V122	S118-G120 PolarHBondContact O-N 2.8Å; S118-G120 PolarHBondContact OG-N 3.45Å; S118-G120 VanDerWaalsContact OG-N 3.09Å; G120-V122 PolarHBondContact O-N 3.11Å
121	S	71.6	Confident	79	Confident	65 Å²	65	45.2 Å²	45.2	46%	0.455	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	118	172.7	-55.5	0	0	0	0	110.9	G106	G106-S121 WeakPolarHBondContact O-CA 3.39Å
122	V	84.3	Confident	79.7	Confident	41 Å²	41	48 Å²	48	25%	0.248	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	154.4	179.6	-66.7	0	0	0	0	111.2	V105 G106 A108 G120 V124	V105-V122 WeakPolarHBondContact CA-O 3.25Å; G106-V122 PolarHBondContact N-O 3.36Å; G106-V122 WeakPolarHBondContact O-CG2 3.3Å; G106-V122 PolarHBondContact O-N 2.83Å; A108-V122 HydrophobicContact CB-CG1 4.46Å; A108-V122 HydrophobicContact CB-CG2 3.87Å; G120-V122 PolarHBondContact O-N 3.11Å; V122-V124 HydrophobicContact CG2-CG2 4.14Å
123	P	90.9	Very high	80.6	Confident	10 Å²	10	52 Å²	52	7%	0.065	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.2	170.7	32.3	-28.2	0	0	0	109.5	Y104 A215 F250	Y104-P123 WeakPolarHBondContact O-CA 3.43Å; P123-A215 VanDerWaalsContact CD-O 3.31Å; P123-A215 WeakPolarHBondContact CD-O 3.14Å; P123-F250 HydrophobicContact CB-CE1 3.99Å; P123-F250 HydrophobicContact CB-CZ 3.99Å; P123-F250 HydrophobicContact CG-CZ 4.22Å
124	V	92.1	Very high	81.8	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.9	176.7	-178.1	0	0	0	0	107.6	H103 Y104 V122 H140	H103-V124 WeakPolarHBondContact CA-O 3.42Å; Y104-V124 HydrophobicContact CD1-CB 4.15Å; Y104-V124 HydrophobicContact CD1-CG1 4.5Å; Y104-V124 WeakPolarHBondContact CD1-O 3.2Å; Y104-V124 HydrophobicContact CE1-CB 3.63Å; Y104-V124 HydrophobicContact CE1-CG1 3.64Å; Y104-V124 HydrophobicContact CE2-CB 4.46Å; Y104-V124 PolarHBondContact N-O 3.06Å; Y104-V124 PolarHBondContact O-N 2.58Å; V122-V124 HydrophobicContact CG2-CG2 4.14Å; V124-H140 HydrophobicContact CG1-CB 4.14Å
125	L	95.1	Very high	83.3	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	149.2	175.6	-71.6	89.9	0	0	0	110	D102 H103 H140 I141 F144 F250 F254	D102-L125 CarbonylContact O-C 3.55Å; D102-L125 WeakPolarHBondContact O-CA 3.43Å; H103-L125 HydrophobicContact CB-CG 4.41Å; L125-H140 CarbonylContact O-C 3.58Å; L125-H140 WeakPolarHBondContact O-CA 3.46Å; L125-I141 HydrophobicContact CB-CB 4.25Å; L125-I141 PolarHBondContact N-O 3.39Å; L125-I141 VanDerWaalsContact N-O 3.11Å; L125-I141 PolarHBondContact O-N 3.21Å; L125-F144 HydrophobicContact CD1-CB 4.25Å; L125-F144 HydrophobicContact CD1-CD1 4.15Å; L125-F250 HydrophobicContact CD1-CE1 3.74Å; L125-F250 HydrophobicContact CD1-CZ 3.83Å; L125-F250 HydrophobicContact CG-CE1 4.23Å; L125-F254 HydrophobicContact CD2-CB 3.7Å; L125-F254 HydrophobicContact CD2-CD1 3.53Å; L125-F254 HydrophobicContact CD2-CD2 4.13Å; L125-F254 HydrophobicContact CD2-CE1 4.18Å; L125-F254 HydrophobicContact CD2-CG 3.5Å; L125-F254 VanDerWaalsContact CD2-CG 3.5Å
126	R	95.2	Very high	84.9	Confident	22 Å²	22	43.4 Å²	43.4	8%	0.083	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123	171.1	-67.4	-178.1	-68.2	-149	1.1	108.7	I101 D102 Y104 F128 C139	I101-R126 VanDerWaalsContact CA-O 3.3Å; I101-R126 WeakPolarHBondContact CA-O 3.42Å; D102-R126 PolarHBondContact N-O 3.31Å; D102-R126 PolarHBondContact O-N 3.17Å; D102-R126 IonicContact OD2-CZ 3.71Å; D102-R126 IonicContact OD2-NE 3.15Å; D102-R126 PolarHBondContact OD2-NE 2.91Å; D102-R126 IonicContact OD2-NH2 2.74Å; D102-R126 PolarHBondContact OD2-NH2 3.29Å; Y104-R126 HydrophobicContact CD1-CG 3.76Å; Y104-R126 HydrophobicContact CE1-CG 3.74Å; R126-F128 HydrophobicContact CB-CD2 4.42Å; R126-F128 HydrophobicContact CB-CE2 3.81Å; R126-F128 HydrophobicContact CB-CZ 4.21Å; R126-C139 WeakPolarHBondContact CA-O 3.42Å
127	A	97.4	Very high	86.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.3	165.6	0	0	0	0	0	108.9	F96 I101 C139 I141 L266	F96-A127 HydrophobicContact CE2-CB 4.49Å; F96-A127 HydrophobicContact CZ-CB 4.43Å; I101-A127 HydrophobicContact CG2-CB 4.19Å; A127-C139 HydrophobicContact CB-CB 4.41Å; A127-C139 PolarHBondContact N-O 2.75Å; A127-C139 PolarHBondContact O-N 2.89Å; A127-I141 HydrophobicContact CB-CD1 4.27Å; A127-L266 HydrophobicContact CB-CD1 4.48Å
128	F	98.3	Very high	88.5	Confident	1 Å²	1	34.1 Å²	34.1	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.3	173.5	-64.6	-82.9	0	0	0	109.7	L99 E100 R126 C138 T282 R423 V424 V452	L99-F128 PolarHBondContact N-O 3.22Å; E100-F128 PolarHBondContact N-O 3.06Å; E100-F128 PolarHBondContact O-N 2.84Å; R126-F128 HydrophobicContact CB-CD2 4.42Å; R126-F128 HydrophobicContact CB-CE2 3.81Å; R126-F128 HydrophobicContact CB-CZ 4.21Å; F128-C138 HydrophobicContact CD1-CB 4.08Å; F128-C138 HydrophobicContact CE1-CB 4.01Å; F128-T282 HydrophobicContact CE1-CG2 4.25Å; F128-R423 HydrophobicContact CD1-CB 4.46Å; F128-R423 HydrophobicContact CE1-CB 4.07Å; F128-V424 HydrophobicContact CZ-CG2 4.2Å; F128-V452 HydrophobicContact CE2-CG1 3.75Å; F128-V452 HydrophobicContact CZ-CG1 4.06Å
129	G	97.8	Very high	90.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-169.1	-177.1	0	0	0	0	0	114.1	Q97 V137	Q97-G129 CarbonylContact O-C 3.59Å; Q97-G129 WeakPolarHBondContact O-CA 3.49Å; G129-V137 PolarHBondContact N-O 2.98Å; G129-V137 PolarHBondContact O-N 2.76Å
130	V	98.2	Very high	92.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.5	-176.5	-72.7	0	0	0	0	112.4	F96 Q97 F135 A308 L310	F96-V130 CarbonylContact C-O 3.59Å; F96-V130 WeakPolarHBondContact CA-O 3.46Å; F96-V130 WeakPolarHBondContact CB-O 3.35Å; Q97-V130 PolarHBondContact N-O 2.98Å; Q97-V130 PolarHBondContact O-N 2.82Å; V130-F135 WeakPolarHBondContact CA-O 3.4Å; V130-A308 HydrophobicContact CG2-CB 3.59Å; V130-L310 HydrophobicContact CG2-CD2 3.63Å
131	T	97.6	Very high	94	Very high	12 Å²	12	18.6 Å²	18.6	7%	0.074	10%	0.102	C	C	.	.			trans	-73.5	167.3	171.2	63.1	0	0	0	0	111.4	L94 F96 E133 G134 F135 V137	L94-T131 HydrophobicContact CD1-CG2 4.28Å; F96-T131 HydrophobicContact CB-CG2 4.41Å; T131-E133 PolarHBondContact O-N 3.48Å; T131-G134 PolarHBondContact O-N 2.84Å; T131-G134 PolarHBondContact OG1-N 2.85Å; T131-F135 HydrophobicContact CG2-CB 4.25Å; T131-F135 HydrophobicContact CG2-CD2 4.07Å; T131-F135 PolarHBondContact N-O 2.88Å; T131-F135 VanDerWaalsContact N-O 3.11Å; T131-F135 VanDerWaalsContact OG1-CD2 3.3Å; T131-F135 WeakPolarHBondContact OG1-CD2 3.44Å; T131-F135 PolarHBondContact OG1-N 3.12Å; T131-V137 HydrophobicContact CG2-CG2 3.87Å
132	D	92.4	Very high	95	Very high	76 Å²	76	16 Å²	16	41%	0.406	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.8	172.9	-140.6	24.6	0	0	0	111.5	W265 R306 P309	D132-W265 HydrophobicContact CB-CH2 4.07Å; D132-W265 HydrophobicContact CB-CZ3 4.49Å; D132-W265 WeakPolarHBondContact OD1-CH2 3.35Å; D132-R306 IonicContact OD1-NH1 3.83Å; D132-R306 IonicContact OD2-CZ 2.69Å; D132-R306 IonicContact OD2-NH1 2.76Å; D132-R306 PolarHBondContact OD2-NH1 2.85Å; D132-R306 IonicContact OD2-NH2 3.79Å; D132-P309 WeakPolarHBondContact O-CD 3.44Å; D132-P309 WeakPolarHBondContact O-CG 3.37Å
133	E	93.5	Very high	95.3	Very high	133 Å²	133	16.4 Å²	16.4	62%	0.621	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.2	174.7	-59.5	-179.1	170.6	0	0	113.8	T131 F135	T131-E133 PolarHBondContact O-N 3.48Å; E133-F135 HydrophobicContact CB-CD2 4.45Å; E133-F135 HydrophobicContact CB-CE2 3.94Å; E133-F135 HydrophobicContact CB-CZ 3.98Å; E133-F135 WeakPolarHBondContact OE2-CE2 3.45Å; E133-F135 WeakPolarHBondContact OE2-CZ 3.42Å
134	G	94.7	Very high	95.3	Very high	6 Å²	6	16.4 Å²	16.4	6%	0.062	10%	0.095	C	C	.	.			trans	87.4	15.6	173.9	0	0	0	0	0	116.7	R81 T131	R81-G134 PolarHBondContact NH1-O 2.84Å; T131-G134 PolarHBondContact O-N 2.84Å; T131-G134 PolarHBondContact OG1-N 2.85Å
135	F	96.8	Very high	95.3	Very high	14 Å²	14	17.4 Å²	17.4	6%	0.061	10%	0.103	C	C	.	.			trans	-71.5	141.7	170.9	-47.8	-47.8	0	0	0	110.9	P82 P84 V130 T131 E133 Q285	P82-F135 HydrophobicContact CB-CE1 4.03Å; P82-F135 HydrophobicContact CG-CD1 4.05Å; P82-F135 HydrophobicContact CG-CE1 3.83Å; P82-F135 VanDerWaalsContact O-CD1 3.25Å; P82-F135 WeakPolarHBondContact O-CD1 3.42Å; P82-F135 WeakPolarHBondContact O-CE1 3.2Å; P84-F135 HydrophobicContact CB-CD1 4.17Å; P84-F135 HydrophobicContact CB-CD2 4.08Å; P84-F135 HydrophobicContact CB-CE1 4.29Å; P84-F135 HydrophobicContact CB-CE2 4.22Å; P84-F135 HydrophobicContact CB-CG 4.09Å; P84-F135 HydrophobicContact CB-CZ 4.34Å; V130-F135 WeakPolarHBondContact CA-O 3.4Å; T131-F135 HydrophobicContact CG2-CB 4.25Å; T131-F135 HydrophobicContact CG2-CD2 4.07Å; T131-F135 PolarHBondContact N-O 2.88Å; T131-F135 VanDerWaalsContact N-O 3.11Å; T131-F135 VanDerWaalsContact OG1-CD2 3.3Å; T131-F135 WeakPolarHBondContact OG1-CD2 3.44Å; T131-F135 PolarHBondContact OG1-N 3.12Å; E133-F135 HydrophobicContact CB-CD2 4.45Å; E133-F135 HydrophobicContact CB-CE2 3.94Å; E133-F135 HydrophobicContact CB-CZ 3.98Å; E133-F135 WeakPolarHBondContact OE2-CE2 3.45Å; E133-F135 WeakPolarHBondContact OE2-CZ 3.42Å; F135-Q285 VanDerWaalsContact CA-OE1 3.25Å
136	S	97.6	Very high	95.3	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.014	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	130.4	174	57.5	0	0	0	0	112.7	Q285 L286 D389	S136-Q285 PolarHBondContact O-N 3.35Å; S136-Q285 PolarHBondContact OG-N 2.88Å; S136-L286 PolarHBondContact O-N 3.04Å; S136-D389 VanDerWaalsContact CB-OD2 3.23Å; S136-D389 WeakPolarHBondContact CB-OD2 3.16Å; S136-D389 PolarHBondContact OG-OD2 2.98Å
137	V	97.7	Very high	95.3	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.2	-174.1	-175.2	0	0	0	0	110.3	L94 F96 G129 T131 L286	L94-V137 HydrophobicContact CD2-CG1 4.05Å; F96-V137 HydrophobicContact CB-CB 4.46Å; F96-V137 HydrophobicContact CB-CG2 4.06Å; F96-V137 HydrophobicContact CD1-CG1 4.18Å; F96-V137 HydrophobicContact CD2-CB 4.13Å; F96-V137 HydrophobicContact CD2-CG1 4.17Å; F96-V137 HydrophobicContact CE1-CG1 4.33Å; F96-V137 HydrophobicContact CE2-CG1 4.32Å; F96-V137 HydrophobicContact CG-CB 4.23Å; F96-V137 HydrophobicContact CG-CG1 4.1Å; F96-V137 HydrophobicContact CG-CG2 4.33Å; F96-V137 HydrophobicContact CZ-CG1 4.4Å; G129-V137 PolarHBondContact N-O 2.98Å; G129-V137 PolarHBondContact O-N 2.76Å; T131-V137 HydrophobicContact CG2-CG2 3.87Å; V137-L286 WeakPolarHBondContact CA-O 3.45Å; V137-L286 HydrophobicContact CG2-CB 4.33Å; V137-L286 HydrophobicContact CG2-CD1 4.35Å
138	C	97.1	Very high	95.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.9	159.8	-178.6	0	0	0	0	109.6	F128 T282 C284 L286 E287 A288	F128-C138 HydrophobicContact CD1-CB 4.08Å; F128-C138 HydrophobicContact CE1-CB 4.01Å; C138-T282 HydrophobicContact CB-CG2 4.13Å; C138-C284 HydrophobicContact CB-CB 4.03Å; C138-L286 PolarHBondContact N-O 3.24Å; C138-E287 HydrophobicContact CB-CG 4.38Å; C138-E287 WeakPolarHBondContact O-CA 3.29Å; C138-A288 PolarHBondContact O-N 2.92Å
139	C	96.4	Very high	95	Very high	1 Å²	1	18 Å²	18	1%	0.007	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.8	173.8	-177.7	0	0	0	0	109.6	F96 R126 A127 V290	F96-C139 HydrophobicContact CE1-CB 4.25Å; F96-C139 HydrophobicContact CZ-CB 3.74Å; R126-C139 WeakPolarHBondContact CA-O 3.42Å; A127-C139 HydrophobicContact CB-CB 4.41Å; A127-C139 PolarHBondContact N-O 2.75Å; A127-C139 PolarHBondContact O-N 2.89Å; C139-V290 VanDerWaalsContact SG-CG1 3.53Å
140	H	95.1	Very high	94.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.6	171.6	-59.9	-86.6	0	0	0	109	Y104 V124 L125 H142 R276 E287 A288 D289 V290	Y104-H140 AromaticContact CE1-ND1 3.64Å; Y104-H140 AromaticContact CZ-ND1 4Å; V124-H140 HydrophobicContact CG1-CB 4.14Å; L125-H140 CarbonylContact O-C 3.58Å; L125-H140 WeakPolarHBondContact O-CA 3.46Å; H140-H142 PolarHBondContact O-CD2 3.11Å; H140-R276 PolarHBondContact CD2-NH2 3.18Å; H140-E287 IonicContact CD2-OE1 2.84Å; H140-E287 IonicContact CE1-OE1 3.49Å; H140-E287 IonicContact NE2-OE1 3.09Å; H140-E287 PolarHBondContact NE2-OE1 2.89Å; H140-A288 PolarHBondContact N-O 3.13Å; H140-D289 WeakPolarHBondContact CB-OD1 3.37Å; H140-D289 IonicContact CD2-OD1 2.68Å; H140-D289 IonicContact CG-OD1 3.92Å; H140-D289 WeakPolarHBondContact O-CA 3.45Å; H140-V290 PolarHBondContact O-N 3.06Å
141	I	94.7	Very high	94.3	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.9	-172.5	-53.7	175.7	0	0	0	108.8	L125 A127 F254 V290 W292 V295	L125-I141 HydrophobicContact CB-CB 4.25Å; L125-I141 PolarHBondContact N-O 3.39Å; L125-I141 VanDerWaalsContact N-O 3.11Å; L125-I141 PolarHBondContact O-N 3.21Å; A127-I141 HydrophobicContact CB-CD1 4.27Å; I141-F254 HydrophobicContact CD1-CE1 4.23Å; I141-F254 HydrophobicContact CD1-CZ 3.85Å; I141-F254 HydrophobicContact CG2-CE2 4.06Å; I141-F254 HydrophobicContact CG2-CZ 4.07Å; I141-V290 HydrophobicContact CG1-CG1 4.06Å; I141-W292 HydrophobicContact CG2-CB 3.65Å; I141-V295 HydrophobicContact CD1-CG2 4.45Å; I141-V295 HydrophobicContact CG2-CG2 4.44Å
142	H	92.4	Very high	94	Very high	9 Å²	9	20.5 Å²	20.5	4%	0.042	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	159	-169.5	-65.3	-91.5	0	0	0	113.3	V111 H140 F144 D289 V290 W292	V111-H142 HydrophobicContact CG1-CB 4.43Å; H140-H142 PolarHBondContact O-CD2 3.11Å; H142-F144 PolarHBondContact O-N 2.97Å; H142-D289 IonicContact CD2-OD1 3.66Å; H142-D289 IonicContact CE1-OD1 2.67Å; H142-D289 IonicContact NE2-OD1 2.67Å; H142-D289 PolarHBondContact NE2-OD1 2.82Å; H142-V290 PolarHBondContact N-O 3.45Å; H142-W292 WeakPolarHBondContact O-CB 3.32Å; H142-W292 PolarHBondContact O-N 3.41Å
143	G	89.3	Confident	93.7	Very high	51 Å²	51	18 Å²	18	53%	0.526	11%	0.112	S	C	.	.	S	Bend	trans	84.1	0.1	169.1	0	0	0	0	0	116.2	W292	G143-W292 VanDerWaalsContact C-CD1 3.45Å
144	F	92.5	Very high	93.1	Very high	9 Å²	9	17.9 Å²	17.9	4%	0.039	12%	0.123	C	C	.	.			trans	-89	120.9	175.9	-169.3	-103.1	0	0	0	111.3	L125 H142 F250 R253 F254 D257 W292	L125-F144 HydrophobicContact CD1-CB 4.25Å; L125-F144 HydrophobicContact CD1-CD1 4.15Å; H142-F144 PolarHBondContact O-N 2.97Å; F144-F250 HydrophobicContact CD1-CD2 4.39Å; F144-F250 AromaticContact CD1-CE2 3.5Å; F144-F250 HydrophobicContact CD1-CE2 3.5Å; F144-F250 AromaticContact CD1-CZ 3.8Å; F144-F250 HydrophobicContact CD1-CZ 3.8Å; F144-F250 HydrophobicContact CE1-CD2 4.15Å; F144-F250 AromaticContact CE1-CE2 3.65Å; F144-F250 HydrophobicContact CE1-CE2 3.65Å; F144-F250 HydrophobicContact CE1-CZ 4.38Å; F144-R253 HydrophobicContact CE1-CG 4.47Å; F144-R253 HydrophobicContact CZ-CG 4.14Å; F144-F254 HydrophobicContact CB-CD2 4.43Å; F144-F254 HydrophobicContact CD1-CB 4.02Å; F144-F254 AromaticContact CD1-CD2 3.97Å; F144-F254 HydrophobicContact CD1-CD2 3.97Å; F144-F254 HydrophobicContact CD1-CG 4.45Å; F144-F254 HydrophobicContact CD2-CD2 4.1Å; F144-F254 HydrophobicContact CE1-CB 3.65Å; F144-F254 HydrophobicContact CE1-CD2 4.24Å; F144-F254 HydrophobicContact CE1-CG 4.46Å; F144-F254 HydrophobicContact CE2-CD2 4.36Å; F144-F254 AromaticContact CG-CD2 3.9Å; F144-F254 HydrophobicContact CG-CD2 3.9Å; F144-F254 HydrophobicContact CZ-CB 4.1Å; F144-F254 HydrophobicContact CZ-CD2 4.43Å; F144-D257 HydrophobicContact CE2-CB 4.01Å; F144-D257 WeakPolarHBondContact CE2-OD2 3.27Å; F144-D257 HydrophobicContact CZ-CB 4.2Å; F144-D257 WeakPolarHBondContact CZ-OD2 3.41Å; F144-W292 HydrophobicContact CB-CB 4.14Å; F144-W292 HydrophobicContact CB-CG 4.05Å; F144-W292 AromaticContact CD2-CD2 3.94Å; F144-W292 HydrophobicContact CD2-CD2 3.94Å; F144-W292 AromaticContact CD2-CE3 4Å; F144-W292 HydrophobicContact CD2-CE3 4Å; F144-W292 HydrophobicContact CD2-CG 4.31Å; F144-W292 HydrophobicContact CD2-CZ3 4.43Å
145	A	91.9	Very high	92.5	Very high	23 Å²	23	20.5 Å²	20.5	19%	0.19	15%	0.15	C	C	.	.			trans	-114.9	140.3	-178.6	0	0	0	0	0	111.6	L188 T213	A145-L188 HydrophobicContact CB-CD1 4.04Å; A145-T213 HydrophobicContact CB-CG2 3.85Å
146	P	93.9	Very high	91.9	Very high	8 Å²	8	20.6 Å²	20.6	5%	0.052	15%	0.151	C	C	.	.			trans	-68.3	140.9	178.8	28.7	-35.5	0	0	0	111.6	V214 P217 V220 F250	P146-V214 VanDerWaalsContact CD-O 3.27Å; P146-V214 WeakPolarHBondContact CD-O 3.4Å; P146-V214 WeakPolarHBondContact CG-O 3.3Å; P146-V214 PolarHBondContact O-N 3.48Å; P146-P217 HydrophobicContact CB-CG 4.47Å; P146-P217 HydrophobicContact CG-CB 4.49Å; P146-P217 HydrophobicContact CG-CG 4.09Å; P146-V220 HydrophobicContact CB-CG2 4.17Å; P146-F250 HydrophobicContact CB-CD2 3.81Å; P146-F250 HydrophobicContact CB-CE2 3.88Å; P146-F250 HydrophobicContact CG-CD2 4.5Å; P146-F250 HydrophobicContact CG-CE2 4.25Å
147	Y	95.1	Very high	91.2	Very high	19 Å²	19	21.2 Å²	21.2	8%	0.075	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	162.8	176.7	64.4	-89.1	0	0	0	111.3	Y149 R211 I212 R253 D257	Y147-Y149 HydrophobicContact CD2-CE2 4.01Å; Y147-Y149 AromaticContact CE2-CE2 3.65Å; Y147-Y149 HydrophobicContact CE2-CE2 3.65Å; Y147-Y149 AromaticContact CE2-CZ 3.81Å; Y147-R211 HydrophobicContact CD2-CG 3.83Å; Y147-R211 HydrophobicContact CG-CG 4.29Å; Y147-I212 VanDerWaalsContact CA-O 3.24Å; Y147-I212 WeakPolarHBondContact CA-O 3.38Å; Y147-I212 WeakPolarHBondContact CB-O 3.49Å; Y147-R253 HydrophobicContact CE1-CG 4.41Å; Y147-R253 PolarHBondContact OH-NE 3.4Å; Y147-R253 PolarHBondContact OH-NH2 3.35Å; Y147-D257 WeakPolarHBondContact CE1-OD2 3.5Å; Y147-D257 VanDerWaalsContact CZ-OD2 3.27Å; Y147-D257 PolarHBondContact OH-OD1 3.38Å; Y147-D257 VanDerWaalsContact OH-OD1 3.06Å; Y147-D257 PolarHBondContact OH-OD2 2.73Å
148	F	94.9	Very high	90.5	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	176.2	172.6	65.8	-83.2	0	0	0	109.9	I212 V214 V220 A223 L227 A246	F148-I212 HydrophobicContact CE1-CB 4.07Å; F148-I212 HydrophobicContact CE1-CG2 3.95Å; F148-I212 HydrophobicContact CE2-CB 4.31Å; F148-I212 HydrophobicContact CE2-CD1 4.14Å; F148-I212 HydrophobicContact CZ-CB 3.93Å; F148-I212 HydrophobicContact CZ-CD1 4.13Å; F148-I212 HydrophobicContact CZ-CG2 3.91Å; F148-I212 PolarHBondContact N-O 2.81Å; F148-I212 VanDerWaalsContact N-O 3.12Å; F148-I212 PolarHBondContact O-N 3.45Å; F148-V214 HydrophobicContact CD1-CG2 4.3Å; F148-V214 HydrophobicContact CE1-CG2 3.81Å; F148-V220 HydrophobicContact CD1-CG1 3.89Å; F148-V220 HydrophobicContact CE1-CG1 4.41Å; F148-V220 HydrophobicContact CG-CG1 4.45Å; F148-A223 HydrophobicContact CE1-CB 4.04Å; F148-A223 HydrophobicContact CZ-CB 4.05Å; F148-L227 HydrophobicContact CE2-CD1 3.61Å; F148-L227 HydrophobicContact CZ-CD1 3.5Å; F148-L227 VanDerWaalsContact CZ-CD1 3.5Å; F148-A246 HydrophobicContact CB-CB 3.71Å; F148-A246 HydrophobicContact CD2-CB 3.83Å; F148-A246 HydrophobicContact CG-CB 3.81Å
149	Y	94.4	Very high	89.9	Confident	10 Å²	10	31.8 Å²	31.8	4%	0.039	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	157.8	-176.1	-61.4	-91.6	0	0	0	112.8	Y147 L210 R211 Y244 L569	Y147-Y149 HydrophobicContact CD2-CE2 4.01Å; Y147-Y149 AromaticContact CE2-CE2 3.65Å; Y147-Y149 HydrophobicContact CE2-CE2 3.65Å; Y147-Y149 AromaticContact CE2-CZ 3.81Å; Y149-L210 CarbonylContact C-O 3.56Å; Y149-L210 VanDerWaalsContact CA-O 3.29Å; Y149-L210 WeakPolarHBondContact CA-O 3.5Å; Y149-R211 HydrophobicContact CD1-CB 3.8Å; Y149-R211 HydrophobicContact CD1-CG 4.22Å; Y149-R211 HydrophobicContact CE1-CB 3.68Å; Y149-R211 HydrophobicContact CE1-CG 3.85Å; Y149-Y244 PolarHBondContact N-O 2.68Å; Y149-Y244 VanDerWaalsContact N-O 3.09Å; Y149-Y244 PolarHBondContact O-N 2.96Å; Y149-L569 HydrophobicContact CD1-CD1 3.88Å; Y149-L569 HydrophobicContact CD1-CD2 4.31Å; Y149-L569 HydrophobicContact CD2-CD1 4.09Å; Y149-L569 HydrophobicContact CD2-CD2 3.43Å; Y149-L569 VanDerWaalsContact CD2-CD2 3.43Å; Y149-L569 HydrophobicContact CD2-CG 4.39Å; Y149-L569 HydrophobicContact CE1-CD1 4.48Å; Y149-L569 HydrophobicContact CE1-CD2 4.31Å; Y149-L569 HydrophobicContact CE2-CD2 3.44Å; Y149-L569 VanDerWaalsContact CE2-CD2 3.44Å; Y149-L569 HydrophobicContact CG-CD1 3.64Å; Y149-L569 HydrophobicContact CG-CD2 3.88Å; Y149-L569 HydrophobicContact CG-CG 4.42Å
150	T	92.1	Very high	89.4	Confident	2 Å²	2	33 Å²	33	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	149.5	166.8	177.4	0	0	0	0	109.6	F209 L210 I212 F241 A242	T150-F209 VanDerWaalsContact C-CD1 3.5Å; T150-F209 CarbonylContact O-C 3.58Å; T150-F209 WeakPolarHBondContact O-CA 3.45Å; T150-F209 WeakPolarHBondContact O-CD1 3.4Å; T150-L210 HydrophobicContact CG2-CB 3.93Å; T150-L210 HydrophobicContact CG2-CD1 4.22Å; T150-L210 HydrophobicContact CG2-CG 4.43Å; T150-L210 PolarHBondContact N-O 3.4Å; T150-L210 PolarHBondContact O-N 3.22Å; T150-I212 HydrophobicContact CG2-CD1 3.91Å; T150-F241 HydrophobicContact CG2-CB 4.4Å; T150-F241 HydrophobicContact CG2-CD1 3.76Å; T150-F241 HydrophobicContact CG2-CE1 4.48Å; T150-F241 HydrophobicContact CG2-CG 4.43Å; T150-F241 WeakPolarHBondContact OG1-CB 3.31Å; T150-A242 PolarHBondContact OG1-O 2.95Å
151	P	91.1	Very high	89	Confident	42 Å²	42	34.3 Å²	34.3	27%	0.273	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	145.1	172	-22.3	33.6	0	0	0	111.1	F209 A242 Y244	P151-F209 HydrophobicContact CB-CE1 4.39Å; P151-F209 HydrophobicContact CG-CD1 4.3Å; P151-F209 HydrophobicContact CG-CE1 3.8Å; P151-F209 HydrophobicContact CG-CZ 4.27Å; P151-A242 WeakPolarHBondContact CD-O 3.35Å; P151-Y244 HydrophobicContact CG-CD2 4.32Å; P151-Y244 HydrophobicContact CG-CE2 3.68Å
152	A	89.6	Confident	88.6	Confident	20 Å²	20	36.6 Å²	36.6	17%	0.165	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-75.7	131.6	170	0	0	0	0	0	109.6	F156 L192 P208 L210	A152-F156 HydrophobicContact CB-CB 4.35Å; A152-F156 HydrophobicContact CB-CD1 4.42Å; A152-L192 HydrophobicContact CB-CD1 4.11Å; A152-P208 HydrophobicContact CB-CB 4.02Å; A152-P208 PolarHBondContact N-O 2.74Å; A152-L210 HydrophobicContact CB-CD2 3.89Å; A152-L210 HydrophobicContact CB-CG 4.03Å
153	P	86.1	Confident	88.4	Confident	24 Å²	24	37.4 Å²	37.4	16%	0.156	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-58.7	149.6	173.9	-25.7	34.6	0	0	0	112.4	G155 F156 P239 F241	P153-G155 PolarHBondContact O-N 3.17Å; P153-F156 HydrophobicContact CB-CB 4.34Å; P153-F156 HydrophobicContact CG-CD2 4.46Å; P153-F156 WeakPolarHBondContact O-CB 3.38Å; P153-F156 PolarHBondContact O-N 3.32Å; P153-P239 HydrophobicContact CB-CB 4.46Å; P153-P239 HydrophobicContact CG-CB 3.94Å; P153-P239 HydrophobicContact CG-CG 4.31Å; P153-F241 HydrophobicContact CG-CD1 4.38Å; P153-F241 HydrophobicContact CG-CE1 3.64Å; P153-F241 HydrophobicContact CG-CZ 4.02Å
154	P	82.6	Confident	88.3	Confident	130 Å²	130	35 Å²	35	84%	0.844	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	124.4	173.6	26	-33.7	0	0	0	110
155	G	82.2	Confident	88.2	Confident	62 Å²	62	37 Å²	37	64%	0.639	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.4	-1.5	-173.4	0	0	0	0	0	115.4	P153 G157 H160	P153-G155 PolarHBondContact O-N 3.17Å; G155-G157 PolarHBondContact O-N 2.88Å; G155-H160 PolarHBondContact O-CE1 2.86Å
156	F	82.9	Confident	88	Confident	15 Å²	15	41.5 Å²	41.5	7%	0.066	25%	0.252	C	S	.	.			trans	-78.4	97.6	175.4	-168.6	-76.5	0	0	0	111.5	A152 P153 H160 M161 L164 L210 L236	A152-F156 HydrophobicContact CB-CB 4.35Å; A152-F156 HydrophobicContact CB-CD1 4.42Å; P153-F156 HydrophobicContact CB-CB 4.34Å; P153-F156 HydrophobicContact CG-CD2 4.46Å; P153-F156 WeakPolarHBondContact O-CB 3.38Å; P153-F156 PolarHBondContact O-N 3.32Å; F156-H160 HydrophobicContact CD1-CB 4.4Å; F156-H160 HydrophobicContact CD2-CB 3.73Å; F156-H160 HydrophobicContact CE1-CB 4.2Å; F156-H160 HydrophobicContact CE2-CB 3.51Å; F156-H160 HydrophobicContact CG-CB 4.17Å; F156-H160 HydrophobicContact CZ-CB 3.75Å; F156-M161 HydrophobicContact CE1-CE 3.84Å; F156-M161 HydrophobicContact CE1-CG 3.93Å; F156-M161 HydrophobicContact CZ-CE 4.45Å; F156-M161 HydrophobicContact CZ-CG 4.3Å; F156-L164 HydrophobicContact CE2-CB 4.3Å; F156-L164 HydrophobicContact CE2-CD1 4.43Å; F156-L164 HydrophobicContact CE2-CD2 4.08Å; F156-L164 HydrophobicContact CZ-CB 4.29Å; F156-L164 HydrophobicContact CZ-CD2 3.92Å; F156-L210 HydrophobicContact CD1-CD1 4.41Å; F156-L210 HydrophobicContact CD1-CD2 3.73Å; F156-L210 HydrophobicContact CE1-CD1 4.03Å; F156-L210 HydrophobicContact CE1-CD2 3.4Å; F156-L210 HydrophobicContact CE1-CG 4.38Å; F156-L210 HydrophobicContact CE2-CD1 4.18Å; F156-L210 HydrophobicContact CZ-CD1 3.91Å; F156-L210 HydrophobicContact CZ-CD2 4.07Å; F156-L236 HydrophobicContact CB-CD1 3.91Å; F156-L236 HydrophobicContact CD2-CD1 3.59Å; F156-L236 HydrophobicContact CG-CD1 4.16Å
157	G	83.3	Confident	87.6	Confident	15 Å²	15	43.3 Å²	43.3	16%	0.155	26%	0.26	C	S	.	.			trans	-98.5	-179.7	167.5	0	0	0	0	0	114.1	G155 E159 H160	G155-G157 PolarHBondContact O-N 2.88Å; G157-E159 VanDerWaalsContact C-CD 3.46Å; G157-E159 WeakPolarHBondContact CA-OE1 3.32Å; G157-E159 PolarHBondContact N-OE1 3.2Å; G157-E159 VanDerWaalsContact N-OE1 3.11Å; G157-E159 PolarHBondContact O-N 3.04Å; G157-H160 PolarHBondContact N-ND1 3Å; G157-H160 WeakPolarHBondContact O-CB 3.29Å; G157-H160 PolarHBondContact O-N 3.28Å; G157-H160 PolarHBondContact O-ND1 2.66Å
158	P	82.9	Confident	87.3	Confident	95 Å²	95	42.4 Å²	42.4	62%	0.617	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-56.3	-31.5	-174.6	-26.8	36.2	0	0	0	115.2	H160 M161	P158-H160 PolarHBondContact O-N 2.86Å; P158-H160 VanDerWaalsContact O-N 3.15Å; P158-M161 VanDerWaalsContact O-CG 3.31Å; P158-M161 WeakPolarHBondContact O-CG 3.44Å; P158-M161 PolarHBondContact O-N 3.26Å; P158-M161 VanDerWaalsContact O-N 3.13Å
159	E	84.4	Confident	86.9	Confident	128 Å²	128	43.4 Å²	43.4	60%	0.598	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-57.7	-24.3	176.2	63	-66.1	148.8	0	0	113.8	G157	G157-E159 VanDerWaalsContact C-CD 3.46Å; G157-E159 WeakPolarHBondContact CA-OE1 3.32Å; G157-E159 PolarHBondContact N-OE1 3.2Å; G157-E159 VanDerWaalsContact N-OE1 3.11Å; G157-E159 PolarHBondContact O-N 3.04Å
160	H	86.5	Confident	86.5	Confident	26 Å²	26	46.3 Å²	46.3	12%	0.12	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-86	-14.8	179.3	-59.5	97	0	0	0	114	G155 F156 G157 P158 D163 L164 V233 A234 L236	G155-H160 PolarHBondContact O-CE1 2.86Å; F156-H160 HydrophobicContact CD1-CB 4.4Å; F156-H160 HydrophobicContact CD2-CB 3.73Å; F156-H160 HydrophobicContact CE1-CB 4.2Å; F156-H160 HydrophobicContact CE2-CB 3.51Å; F156-H160 HydrophobicContact CG-CB 4.17Å; F156-H160 HydrophobicContact CZ-CB 3.75Å; G157-H160 PolarHBondContact N-ND1 3Å; G157-H160 WeakPolarHBondContact O-CB 3.29Å; G157-H160 PolarHBondContact O-N 3.28Å; G157-H160 PolarHBondContact O-ND1 2.66Å; P158-H160 PolarHBondContact O-N 2.86Å; P158-H160 VanDerWaalsContact O-N 3.15Å; H160-D163 PolarHBondContact O-N 3.46Å; H160-L164 WeakPolarHBondContact O-CB 3.48Å; H160-L164 PolarHBondContact O-N 2.81Å; H160-V233 HydrophobicContact CB-CG1 4.25Å; H160-A234 PolarHBondContact CD2-O 3.25Å; H160-L236 HydrophobicContact CB-CD1 4.42Å
161	M	86.7	Confident	86.1	Confident	28 Å²	28	47.2 Å²	47.2	14%	0.138	29%	0.285	C	S	.	.	H	α-helix	trans	-67.4	-43.7	-170.3	-50.1	-149.3	92.7	0	0	112.7	F156 P158 D163 L164 Q165 V190 L192 L210	F156-M161 HydrophobicContact CE1-CE 3.84Å; F156-M161 HydrophobicContact CE1-CG 3.93Å; F156-M161 HydrophobicContact CZ-CE 4.45Å; F156-M161 HydrophobicContact CZ-CG 4.3Å; P158-M161 VanDerWaalsContact O-CG 3.31Å; P158-M161 WeakPolarHBondContact O-CG 3.44Å; P158-M161 PolarHBondContact O-N 3.26Å; P158-M161 VanDerWaalsContact O-N 3.13Å; M161-D163 VanDerWaalsContact C-N 3.29Å; M161-D163 PolarHBondContact O-N 2.95Å; M161-L164 PolarHBondContact O-N 3.26Å; M161-Q165 WeakPolarHBondContact O-CB 3.3Å; M161-Q165 PolarHBondContact O-N 3.08Å; M161-V190 HydrophobicContact CE-CB 4.31Å; M161-V190 HydrophobicContact CE-CG1 3.57Å; M161-L192 HydrophobicContact CE-CB 3.85Å; M161-L192 HydrophobicContact SD-CB 4.08Å; M161-L210 HydrophobicContact CE-CD2 3.63Å
162	G	86.6	Confident	85.7	Confident	50 Å²	50	45.2 Å²	45.2	52%	0.515	27%	0.273	S	S	.	.	H	α-helix	trans	-67	-29.9	177.1	0	0	0	0	0	113.2	R166	G162-R166 VanDerWaalsContact O-CB 3.31Å; G162-R166 WeakPolarHBondContact O-CB 3.47Å; G162-R166 PolarHBondContact O-N 3.02Å; G162-R166 VanDerWaalsContact O-N 3.09Å
163	D	87.3	Confident	85.2	Confident	26 Å²	26	48 Å²	48	14%	0.139	29%	0.29	C	S	.	.	H	α-helix	trans	-70.6	-49.6	174.8	-157.1	72.6	0	0	0	110.8	H160 M161 Q165 R166 E167 V233 A234	H160-D163 PolarHBondContact O-N 3.46Å; M161-D163 VanDerWaalsContact C-N 3.29Å; M161-D163 PolarHBondContact O-N 2.95Å; D163-Q165 PolarHBondContact O-N 2.79Å; D163-R166 PolarHBondContact O-N 2.79Å; D163-R166 IonicContact OD1-CZ 3.55Å; D163-R166 IonicContact OD1-NH1 3.64Å; D163-R166 PolarHBondContact OD1-NH1 2.94Å; D163-R166 IonicContact OD1-NH2 2.75Å; D163-R166 PolarHBondContact OD1-NH2 3.07Å; D163-R166 IonicContact OD2-NH2 3.56Å; D163-E167 PolarHBondContact O-N 2.8Å; D163-V233 WeakPolarHBondContact OD2-CA 3.42Å; D163-A234 WeakPolarHBondContact OD2-CB 3.5Å; D163-A234 PolarHBondContact OD2-N 3.28Å
164	L	87.8	Confident	84.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-57.2	-45.9	175.4	-168	79	0	0	0	111.9	F156 H160 M161 R166 L168 V190 L210 I231 V233 F241	F156-L164 HydrophobicContact CE2-CB 4.3Å; F156-L164 HydrophobicContact CE2-CD1 4.43Å; F156-L164 HydrophobicContact CE2-CD2 4.08Å; F156-L164 HydrophobicContact CZ-CB 4.29Å; F156-L164 HydrophobicContact CZ-CD2 3.92Å; H160-L164 WeakPolarHBondContact O-CB 3.48Å; H160-L164 PolarHBondContact O-N 2.81Å; M161-L164 PolarHBondContact O-N 3.26Å; L164-R166 VanDerWaalsContact C-N 3.35Å; L164-R166 PolarHBondContact O-N 2.82Å; L164-L168 WeakPolarHBondContact O-CB 3.48Å; L164-L168 PolarHBondContact O-N 3.07Å; L164-V190 HydrophobicContact CD2-CG1 3.94Å; L164-L210 HydrophobicContact CD2-CD1 3.78Å; L164-I231 HydrophobicContact CD1-CD1 3.61Å; L164-I231 HydrophobicContact CD1-CG1 4.13Å; L164-I231 HydrophobicContact CG-CD1 4.31Å; L164-V233 HydrophobicContact CD1-CG2 3.52Å; L164-F241 HydrophobicContact CD1-CE1 4.44Å; L164-F241 HydrophobicContact CD1-CE2 3.97Å; L164-F241 HydrophobicContact CD1-CZ 3.57Å
165	Q	89.4	Confident	84.2	Confident	51 Å²	51	51.3 Å²	51.3	24%	0.238	29%	0.285	C	S	.	.	H	α-helix	trans	-64.5	-38.5	178.5	-172.9	169.2	-2.5	0	0	111.8	M161 D163 N169 V187 L188 V190	M161-Q165 WeakPolarHBondContact O-CB 3.3Å; M161-Q165 PolarHBondContact O-N 3.08Å; D163-Q165 PolarHBondContact O-N 2.79Å; Q165-N169 VanDerWaalsContact O-CB 3.28Å; Q165-N169 WeakPolarHBondContact O-CB 3.22Å; Q165-N169 PolarHBondContact O-N 3.11Å; Q165-N169 VanDerWaalsContact O-N 3.12Å; Q165-N169 PolarHBondContact O-ND2 2.83Å; Q165-V187 HydrophobicContact CG-CB 4.21Å; Q165-V187 HydrophobicContact CG-CG1 4.03Å; Q165-V187 PolarHBondContact NE2-O 3.31Å; Q165-L188 PolarHBondContact NE2-O 2.93Å; Q165-V190 HydrophobicContact CB-CG2 3.87Å; Q165-V190 HydrophobicContact CG-CG2 4.29Å
166	R	87.4	Confident	82.9	Confident	118 Å²	118	52.9 Å²	52.9	45%	0.445	29%	0.287	S	S	.	.	H	α-helix	trans	-68	-50.4	177.5	-172.2	-167.7	69.7	-112.9	-4.4	111.6	G162 D163 L164 N169 L170	G162-R166 VanDerWaalsContact O-CB 3.31Å; G162-R166 WeakPolarHBondContact O-CB 3.47Å; G162-R166 PolarHBondContact O-N 3.02Å; G162-R166 VanDerWaalsContact O-N 3.09Å; D163-R166 PolarHBondContact O-N 2.79Å; D163-R166 IonicContact OD1-CZ 3.55Å; D163-R166 IonicContact OD1-NH1 3.64Å; D163-R166 PolarHBondContact OD1-NH1 2.94Å; D163-R166 IonicContact OD1-NH2 2.75Å; D163-R166 PolarHBondContact OD1-NH2 3.07Å; D163-R166 IonicContact OD2-NH2 3.56Å; L164-R166 VanDerWaalsContact C-N 3.35Å; L164-R166 PolarHBondContact O-N 2.82Å; R166-N169 WeakPolarHBondContact O-CB 3.47Å; R166-N169 PolarHBondContact O-N 2.87Å; R166-L170 HydrophobicContact CG-CD1 4.17Å; R166-L170 WeakPolarHBondContact O-CG 3.23Å; R166-L170 PolarHBondContact O-N 3Å
167	E	87.2	Confident	81.8	Confident	46 Å²	46	62.7 Å²	62.7	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-69.1	-37.4	-177	-65.5	-57.2	131.3	0	0	112.2	D163 L170 A171 R232	D163-E167 PolarHBondContact O-N 2.8Å; E167-L170 PolarHBondContact O-N 3.13Å; E167-A171 WeakPolarHBondContact O-CB 3.34Å; E167-A171 PolarHBondContact O-N 3.03Å; E167-R232 WeakPolarHBondContact CG-O 3.13Å
168	L	87.6	Confident	80.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.5	-37.9	174.1	-174.9	56.5	0	0	0	112	L164 A171 I172 V187 I212 L226 L227 I231	L164-L168 WeakPolarHBondContact O-CB 3.48Å; L164-L168 PolarHBondContact O-N 3.07Å; L168-A171 PolarHBondContact O-N 3.46Å; L168-I172 HydrophobicContact CD1-CD1 3.99Å; L168-I172 HydrophobicContact CD1-CG1 4.18Å; L168-I172 HydrophobicContact CG-CD1 3.92Å; L168-I172 VanDerWaalsContact O-CG1 3.3Å; L168-I172 WeakPolarHBondContact O-CG1 3.3Å; L168-I172 PolarHBondContact O-N 3.06Å; L168-V187 HydrophobicContact CB-CG2 4.21Å; L168-V187 HydrophobicContact CD2-CG2 3.8Å; L168-V187 HydrophobicContact CG-CG2 3.74Å; L168-I212 HydrophobicContact CD2-CD1 4.45Å; L168-I212 HydrophobicContact CD2-CG2 4.1Å; L168-L226 HydrophobicContact CD1-CB 4.37Å; L168-L227 HydrophobicContact CD1-CG 4.18Å; L168-L227 HydrophobicContact CD2-CD1 3.98Å; L168-L227 HydrophobicContact CD2-CD2 4.34Å; L168-L227 HydrophobicContact CD2-CG 4.24Å; L168-I231 HydrophobicContact CB-CD1 3.88Å; L168-I231 HydrophobicContact CD1-CD1 4.23Å; L168-I231 HydrophobicContact CG-CD1 4.47Å
169	N	87.8	Confident	78.9	Confident	23 Å²	23	58.9 Å²	58.9	12%	0.123	30%	0.301	C	S	.	.	H	α-helix	trans	-59.7	-48.7	170.4	-90.6	-59.5	0	0	0	111.5	Q165 R166 A171 I172 S173 P185 A186 V187	Q165-N169 VanDerWaalsContact O-CB 3.28Å; Q165-N169 WeakPolarHBondContact O-CB 3.22Å; Q165-N169 PolarHBondContact O-N 3.11Å; Q165-N169 VanDerWaalsContact O-N 3.12Å; Q165-N169 PolarHBondContact O-ND2 2.83Å; R166-N169 WeakPolarHBondContact O-CB 3.47Å; R166-N169 PolarHBondContact O-N 2.87Å; N169-A171 VanDerWaalsContact C-N 3.31Å; N169-A171 PolarHBondContact O-N 2.91Å; N169-I172 PolarHBondContact O-N 3.01Å; N169-S173 WeakPolarHBondContact O-CB 3.37Å; N169-S173 PolarHBondContact O-N 2.87Å; N169-S173 PolarHBondContact O-OG 2.9Å; N169-S173 VanDerWaalsContact O-OG 3.11Å; N169-P185 WeakPolarHBondContact OD1-CA 3.45Å; N169-P185 WeakPolarHBondContact OD1-CB 3.31Å; N169-A186 WeakPolarHBondContact OD1-CA 3.22Å; N169-A186 PolarHBondContact OD1-N 3.28Å; N169-V187 PolarHBondContact ND2-O 3.36Å; N169-V187 PolarHBondContact OD1-N 2.97Å
170	L	84.4	Confident	77.5	Confident	71 Å²	71	64 Å²	64	37%	0.372	31%	0.314	S	S	.	.	H	α-helix	trans	-61.4	-37.7	177.6	-72.3	168.3	0	0	0	112.3	R166 E167 R174	R166-L170 HydrophobicContact CG-CD1 4.17Å; R166-L170 WeakPolarHBondContact O-CG 3.23Å; R166-L170 PolarHBondContact O-N 3Å; E167-L170 PolarHBondContact O-N 3.13Å; L170-R174 WeakPolarHBondContact O-CD 3.33Å; L170-R174 VanDerWaalsContact O-CG 3.23Å; L170-R174 WeakPolarHBondContact O-CG 3.45Å; L170-R174 PolarHBondContact O-N 3.4Å
171	A	83.6	Confident	75.9	Confident	21 Å²	21	68.7 Å²	68.7	17%	0.174	34%	0.337	C	S	.	.	H	α-helix	trans	-68.8	-45	177.5	0	0	0	0	0	112.4	E167 L168 N169 R174 D175 L226	E167-A171 WeakPolarHBondContact O-CB 3.34Å; E167-A171 PolarHBondContact O-N 3.03Å; L168-A171 PolarHBondContact O-N 3.46Å; N169-A171 VanDerWaalsContact C-N 3.31Å; N169-A171 PolarHBondContact O-N 2.91Å; A171-R174 PolarHBondContact O-N 3.42Å; A171-R174 VanDerWaalsContact O-N 3.17Å; A171-D175 PolarHBondContact O-N 3.41Å; A171-D175 VanDerWaalsContact O-N 3.08Å; A171-L226 HydrophobicContact CB-CD1 3.94Å; A171-L226 HydrophobicContact CB-CD2 4.45Å
172	I	84	Confident	74.6	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-39.2	177.4	-65.8	164.6	0	0	0	111	L168 N169 R174 D175 A186 V187 L219 A223 L226	L168-I172 HydrophobicContact CD1-CD1 3.99Å; L168-I172 HydrophobicContact CD1-CG1 4.18Å; L168-I172 HydrophobicContact CG-CD1 3.92Å; L168-I172 VanDerWaalsContact O-CG1 3.3Å; L168-I172 WeakPolarHBondContact O-CG1 3.3Å; L168-I172 PolarHBondContact O-N 3.06Å; N169-I172 PolarHBondContact O-N 3.01Å; I172-R174 PolarHBondContact O-N 2.81Å; I172-D175 PolarHBondContact O-N 2.85Å; I172-A186 HydrophobicContact CB-CB 4.17Å; I172-A186 HydrophobicContact CD1-CB 4.18Å; I172-A186 HydrophobicContact CG2-CB 3.73Å; I172-V187 HydrophobicContact CD1-CG2 3.89Å; I172-L219 HydrophobicContact CG2-CD2 4.08Å; I172-A223 HydrophobicContact CD1-CB 3.8Å; I172-L226 HydrophobicContact CG1-CD1 3.79Å
173	S	78.2	Confident	73.3	Confident	77 Å²	77	73.1 Å²	73.1	54%	0.538	35%	0.354	S	S	.	.	H	α-helix	trans	-66	-23.6	174.9	-65	0	0	0	0	113.5	N169	N169-S173 WeakPolarHBondContact O-CB 3.37Å; N169-S173 PolarHBondContact O-N 2.87Å; N169-S173 PolarHBondContact O-OG 2.9Å; N169-S173 VanDerWaalsContact O-OG 3.11Å
174	R	76.2	Confident	72.4	Confident	195 Å²	195	73.9 Å²	73.9	74%	0.736	37%	0.367	S	S	*	.	H	α-helix	trans	-85	-22.8	172.9	-72.8	170	-176.3	171.6	4.3	113.4	L170 A171 I172 S176	L170-R174 WeakPolarHBondContact O-CD 3.33Å; L170-R174 VanDerWaalsContact O-CG 3.23Å; L170-R174 WeakPolarHBondContact O-CG 3.45Å; L170-R174 PolarHBondContact O-N 3.4Å; A171-R174 PolarHBondContact O-N 3.42Å; A171-R174 VanDerWaalsContact O-N 3.17Å; I172-R174 PolarHBondContact O-N 2.81Å; R174-S176 PolarHBondContact O-N 3.44Å; R174-S176 VanDerWaalsContact O-N 3.16Å
175	D	71	Confident	71.9	Confident	30 Å²	30	77.5 Å²	77.5	16%	0.16	39%	0.391	C	S	.	.	S	Bend	trans	-67.6	112.9	171.3	-173.2	3.3	0	0	0	109.1	A171 I172 R177 G178 G179 R225	A171-D175 PolarHBondContact O-N 3.41Å; A171-D175 VanDerWaalsContact O-N 3.08Å; I172-D175 PolarHBondContact O-N 2.85Å; D175-R177 PolarHBondContact O-N 3.38Å; D175-R177 PolarHBondContact OD1-N 2.91Å; D175-G178 PolarHBondContact O-N 2.63Å; D175-G179 PolarHBondContact O-N 2.93Å; D175-G179 VanDerWaalsContact O-N 3.13Å; D175-R225 IonicContact OD2-CZ 2.67Å; D175-R225 IonicContact OD2-NH1 3.13Å; D175-R225 IonicContact OD2-NH2 3.84Å; D175-R225 PolarHBondContact OD2-NH2 3.13Å
176	S	56.5	Low	71.7	Confident	95 Å²	95	75.2 Å²	75.2	66%	0.664	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-15.3	-176.3	59.8	0	0	0	0	113.5	R174	R174-S176 PolarHBondContact O-N 3.44Å; R174-S176 VanDerWaalsContact O-N 3.16Å
177	R	59.3	Low	71.7	Confident	221 Å²	221	69.6 Å²	69.6	83%	0.834	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.3	173.4	-66	-176.3	173.9	-171.4	-1.8	114.8	D175	D175-R177 PolarHBondContact O-N 3.38Å; D175-R177 PolarHBondContact OD1-N 2.91Å
178	G	53.6	Low	71.7	Confident	10 Å²	10	71.4 Å²	71.4	10%	0.103	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-44.3	-174.8	0	0	0	0	0	115.1	D175	D175-G178 PolarHBondContact O-N 2.63Å
179	G	52	Low	71.9	Confident	19 Å²	19	72.9 Å²	72.9	20%	0.196	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-80.8	-17.8	-161.3	0	0	0	0	0	118.5	D175 E181	D175-G179 PolarHBondContact O-N 2.93Å; D175-G179 VanDerWaalsContact O-N 3.13Å; G179-E181 VanDerWaalsContact C-N 3.32Å; G179-E181 PolarHBondContact O-N 3.05Å
180	R	54.3	Low	72.1	Confident	235 Å²	235	72.4 Å²	72.4	89%	0.887	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-73	-11.8	-162.5	-75.3	-167.3	174.8	-155.7	-0.9	117
181	E	52.8	Low	72.6	Confident	126 Å²	126	73 Å²	73	59%	0.589	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-126.1	10.1	-167.2	-154.5	171.7	-115.8	0	0	113.3	G179 R218	G179-E181 VanDerWaalsContact C-N 3.32Å; G179-E181 PolarHBondContact O-N 3.05Å; E181-R218 IonicContact OE2-CZ 3.52Å; E181-R218 IonicContact OE2-NH1 3.48Å; E181-R218 PolarHBondContact OE2-NH1 2.85Å; E181-R218 IonicContact OE2-NH2 3.93Å; E181-R218 PolarHBondContact OE2-NH2 3.46Å
182	L	60.8	Low	73	Confident	43 Å²	43	75.7 Å²	75.7	23%	0.225	39%	0.392	C	S	.	.			trans	-105.2	134	172.6	-87.3	73.8	0	0	0	110.6	A186 A215 L216 L219	L182-A186 HydrophobicContact CD2-CB 4.1Å; L182-A215 HydrophobicContact CD2-CB 3.98Å; L182-L216 HydrophobicContact CD1-CD1 3.83Å; L182-L219 HydrophobicContact CD1-CD1 3.94Å; L182-L219 HydrophobicContact CD2-CD1 3.56Å; L182-L219 HydrophobicContact CG-CD1 4.42Å
183	T	59.3	Low	73.4	Confident	128 Å²	128	77 Å²	77	79%	0.785	40%	0.401	S	S	*	.	S	Bend	trans	-94.5	-3.2	173	49.8	0	0	0	0	113.2
184	G	67.9	Low	74.1	Confident	41 Å²	41	76.8 Å²	76.8	42%	0.423	40%	0.399	S	S	.	.	S	Bend	trans	-140	-174.5	-179.1	0	0	0	0	0	112.3
185	P	78	Confident	74.9	Confident	77 Å²	77	71.7 Å²	71.7	50%	0.5	38%	0.38	S	S	.	.			trans	-64.2	135.8	-177.3	27.2	-34.6	0	0	0	112.2	N169	N169-P185 WeakPolarHBondContact OD1-CA 3.45Å; N169-P185 WeakPolarHBondContact OD1-CB 3.31Å
186	A	83.8	Confident	76	Confident	3 Å²	3	71.4 Å²	71.4	3%	0.025	38%	0.378	C	S	.	.	S	Bend	trans	-70.2	-33.9	173.3	0	0	0	0	0	112.7	N169 I172 L182 V214 A215 L219	N169-A186 WeakPolarHBondContact OD1-CA 3.22Å; N169-A186 PolarHBondContact OD1-N 3.28Å; I172-A186 HydrophobicContact CB-CB 4.17Å; I172-A186 HydrophobicContact CD1-CB 4.18Å; I172-A186 HydrophobicContact CG2-CB 3.73Å; L182-A186 HydrophobicContact CD2-CB 4.1Å; A186-V214 CarbonylContact O-C 3.28Å; A186-V214 WeakPolarHBondContact O-CA 3.38Å; A186-V214 WeakPolarHBondContact O-CG1 3.45Å; A186-A215 PolarHBondContact O-N 3.44Å; A186-L219 HydrophobicContact CB-CD1 4.02Å
187	V	88.3	Confident	77.6	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.7	174.4	-172.9	0	0	0	0	108.5	Q165 L168 N169 I172 V190 I212	Q165-V187 HydrophobicContact CG-CB 4.21Å; Q165-V187 HydrophobicContact CG-CG1 4.03Å; Q165-V187 PolarHBondContact NE2-O 3.31Å; L168-V187 HydrophobicContact CB-CG2 4.21Å; L168-V187 HydrophobicContact CD2-CG2 3.8Å; L168-V187 HydrophobicContact CG-CG2 3.74Å; N169-V187 PolarHBondContact ND2-O 3.36Å; N169-V187 PolarHBondContact OD1-N 2.97Å; I172-V187 HydrophobicContact CD1-CG2 3.89Å; V187-V190 HydrophobicContact CG1-CG2 4.04Å; V187-I212 HydrophobicContact CG1-CG2 3.93Å
188	L	87.6	Confident	79.1	Confident	84 Å²	84	57.7 Å²	57.7	44%	0.44	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-41.5	-176.5	-60.3	-177.5	0	0	0	112	A145 Q165 T213 A215	A145-L188 HydrophobicContact CB-CD1 4.04Å; Q165-L188 PolarHBondContact NE2-O 2.93Å; L188-T213 HydrophobicContact CB-CG2 4.35Å; L188-T213 HydrophobicContact CD1-CG2 4.42Å; L188-T213 PolarHBondContact N-O 3.01Å; L188-A215 HydrophobicContact CD2-CB 4Å; L188-A215 HydrophobicContact CG-CB 4.18Å
189	A	90.6	Very high	80.8	Confident	30 Å²	30	60.7 Å²	60.7	25%	0.248	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	153.6	179.7	0	0	0	0	0	111.7	E191 T213	A189-E191 HydrophobicContact CB-CG 4.42Å; A189-T213 PolarHBondContact N-O 3.22Å; A189-T213 PolarHBondContact O-N 2.93Å
190	V	92.6	Very high	82.6	Confident	14 Å²	14	59.9 Å²	59.9	9%	0.085	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	119	163.2	-174.3	0	0	0	0	107.1	M161 L164 Q165 V187 L210 R211 I212	M161-V190 HydrophobicContact CE-CB 4.31Å; M161-V190 HydrophobicContact CE-CG1 3.57Å; L164-V190 HydrophobicContact CD2-CG1 3.94Å; Q165-V190 HydrophobicContact CB-CG2 3.87Å; Q165-V190 HydrophobicContact CG-CG2 4.29Å; V187-V190 HydrophobicContact CG1-CG2 4.04Å; V190-L210 HydrophobicContact CG1-CB 4.35Å; V190-R211 CarbonylContact C-O 3.56Å; V190-R211 WeakPolarHBondContact CA-O 3.41Å; V190-I212 HydrophobicContact CG1-CG1 4.35Å
191	E	93.8	Very high	84.3	Confident	82 Å²	82	49.2 Å²	49.2	38%	0.383	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.7	-175.3	-54.7	170.8	101.4	0	0	110.5	A189 L210 R211	A189-E191 HydrophobicContact CB-CG 4.42Å; E191-L210 CarbonylContact O-C 3.6Å; E191-L210 WeakPolarHBondContact O-CA 3.39Å; E191-R211 HydrophobicContact CB-CB 4.29Å; E191-R211 PolarHBondContact N-O 3.47Å; E191-R211 PolarHBondContact O-N 3.38Å; E191-R211 IonicContact OE1-NH1 3.42Å; E191-R211 VanDerWaalsContact OE2-CD 3.3Å; E191-R211 WeakPolarHBondContact OE2-CD 3.06Å; E191-R211 IonicContact OE2-CZ 3.77Å; E191-R211 IonicContact OE2-NE 2.76Å; E191-R211 IonicContact OE2-NH1 2.71Å; E191-R211 PolarHBondContact OE2-NH1 3.35Å
192	L	92.8	Very high	85.8	Confident	79 Å²	79	46.9 Å²	46.9	41%	0.414	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.2	173.6	-171.4	66.3	0	0	0	109.1	A152 M161 P208 L210	A152-L192 HydrophobicContact CB-CD1 4.11Å; M161-L192 HydrophobicContact CE-CB 3.85Å; M161-L192 HydrophobicContact SD-CB 4.08Å; L192-P208 HydrophobicContact CD1-CB 4.08Å; L192-L210 HydrophobicContact CD1-CD2 3.68Å
193	C	92.8	Very high	86.9	Confident	29 Å²	29	45.3 Å²	45.3	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	159.6	-177.2	66	0	0	0	0	111.5	F209	C193-F209 PolarHBondContact N-O 3.37Å; C193-F209 PolarHBondContact O-N 3.47Å; C193-F209 PolarHBondContact SG-O 2.98Å
194	S	92.9	Very high	87.8	Confident	71 Å²	71	45.1 Å²	45.1	50%	0.497	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.1	175.9	-157.8	0	0	0	0	109.7	P206	S194-P206 WeakPolarHBondContact OG-CB 3.4Å; S194-P206 VanDerWaalsContact OG-CG 3.23Å; S194-P206 WeakPolarHBondContact OG-CG 3.39Å
195	R	93.5	Very high	88.4	Confident	89 Å²	89	45.8 Å²	45.8	34%	0.336	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162.7	-171.9	-68.6	-70	-174.3	-119.3	7.4	110.3	S207 F209 G567 L569	R195-S207 PolarHBondContact N-O 2.96Å; R195-S207 PolarHBondContact O-N 2.77Å; R195-F209 HydrophobicContact CB-CB 4.28Å; R195-F209 HydrophobicContact CB-CD2 3.67Å; R195-F209 HydrophobicContact CB-CE2 4.18Å; R195-F209 HydrophobicContact CB-CG 4.09Å; R195-F209 WeakPolarHBondContact O-CE2 3.32Å; R195-G567 WeakPolarHBondContact CD-O 3.23Å; R195-L569 HydrophobicContact CB-CD1 3.64Å; R195-L569 HydrophobicContact CB-CG 3.97Å; R195-L569 HydrophobicContact CG-CD1 3.82Å; R195-L569 HydrophobicContact CG-CG 4.1Å
196	E	92.8	Very high	88.9	Confident	23 Å²	23	45.7 Å²	45.7	11%	0.107	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.3	173.2	-172.1	-176.8	-157.4	0	0	111.2	G567 L568 L569 R652	E196-G567 PolarHBondContact N-O 3.46Å; E196-L568 HydrophobicContact CB-CD2 3.76Å; E196-L568 HydrophobicContact CG-CD2 4.32Å; E196-L568 CarbonylContact O-C 3.59Å; E196-L568 WeakPolarHBondContact O-CA 3.49Å; E196-L568 WeakPolarHBondContact OE2-CD2 3.05Å; E196-L569 PolarHBondContact O-N 3.26Å; E196-R652 IonicContact OE1-CZ 3.75Å; E196-R652 IonicContact OE1-NH2 3.8Å; E196-R652 PolarHBondContact OE1-NH2 2.81Å; E196-R652 IonicContact OE2-CZ 2.71Å; E196-R652 IonicContact OE2-NH1 3.48Å; E196-R652 PolarHBondContact OE2-NH1 2.61Å; E196-R652 IonicContact OE2-NH2 3.55Å; E196-R652 PolarHBondContact OE2-NH2 3.22Å
197	S	91.5	Very high	89.1	Confident	22 Å²	22	48.4 Å²	48.4	15%	0.154	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.9	173.3	-177.9	0	0	0	0	110.5	F199 Y244	S197-F199 PolarHBondContact O-N 3.45Å; S197-F199 VanDerWaalsContact O-N 3.13Å; S197-Y244 WeakPolarHBondContact OG-CE1 3.39Å; S197-Y244 PolarHBondContact OG-OH 2.96Å
198	M	90.7	Very high	89.2	Confident	7 Å²	7	52.1 Å²	52.1	3%	0.034	30%	0.299	C	S	.	.	S	Bend	trans	-64.4	-14.7	178.5	-171.5	-172.4	69.5	0	0	113.8	L559 L569 M570 Y618 T619 L655	M198-L559 HydrophobicContact CE-CD2 3.73Å; M198-L559 HydrophobicContact CE-CG 4.38Å; M198-L559 HydrophobicContact SD-CD1 3.88Å; M198-L559 HydrophobicContact SD-CD2 3.79Å; M198-L559 HydrophobicContact SD-CG 3.77Å; M198-L569 VanDerWaalsContact CB-O 3.29Å; M198-L569 WeakPolarHBondContact CB-O 3.22Å; M198-L569 PolarHBondContact N-O 3.12Å; M198-M570 HydrophobicContact CE-CB 4.02Å; M198-M570 HydrophobicContact CE-CG 3.75Å; M198-M570 HydrophobicContact CE-SD 4.3Å; M198-M570 HydrophobicContact SD-CB 4.43Å; M198-Y618 HydrophobicContact CE-CD2 4.22Å; M198-Y618 CarbonylContact O-C 3.59Å; M198-Y618 WeakPolarHBondContact O-CB 3.4Å; M198-T619 HydrophobicContact CB-CG2 4.47Å; M198-T619 HydrophobicContact CG-CG2 3.69Å; M198-T619 WeakPolarHBondContact O-CG2 3.18Å; M198-T619 PolarHBondContact O-N 3.45Å; M198-L655 HydrophobicContact CG-CD1 4.06Å; M198-L655 HydrophobicContact SD-CD1 4.08Å
199	F	89.1	Confident	89.5	Confident	73 Å²	73	48.4 Å²	48.4	32%	0.32	28%	0.28	S	S	.	.	S	Bend	trans	-102.4	103.9	-170.5	-169.5	-90.4	0	0	0	113.7	S197 H202 P571 Y618	S197-F199 PolarHBondContact O-N 3.45Å; S197-F199 VanDerWaalsContact O-N 3.13Å; F199-H202 PolarHBondContact O-NE2 3.42Å; F199-P571 HydrophobicContact CB-CG 3.75Å; F199-Y618 HydrophobicContact CD2-CD1 4.08Å; F199-Y618 HydrophobicContact CE2-CD1 4.21Å
200	G	89.3	Confident	89.6	Confident	2 Å²	2	47 Å²	47	2%	0.021	27%	0.268	C	S	.	.	S	Bend	trans	85.6	149.2	-175	0	0	0	0	0	111.9	H202 Y618 L621	G200-H202 PolarHBondContact O-CD2 3.48Å; G200-H202 PolarHBondContact O-NE2 3.43Å; G200-Y618 WeakPolarHBondContact CA-O 3.12Å; G200-Y618 PolarHBondContact N-O 2.98Å; G200-L621 CarbonylContact C-O 3.45Å; G200-L621 VanDerWaalsContact CA-O 3.28Å; G200-L621 WeakPolarHBondContact CA-O 3.35Å
201	Y	89.9	Confident	89.8	Confident	11 Å²	11	49.5 Å²	49.5	4%	0.043	28%	0.276	C	S	.	.			trans	-87.5	123.7	172.3	177.4	-103.5	0	0	0	110.2	G203 H204 L621 L630 L632 V647 V651	Y201-G203 WeakPolarHBondContact CE2-O 3.5Å; Y201-H204 AromaticContact CE2-CD2 3.88Å; Y201-H204 AromaticContact CZ-CD2 4Å; Y201-H204 PolarHBondContact OH-CD2 2.88Å; Y201-H204 VanDerWaalsContact OH-CD2 3.22Å; Y201-H204 PolarHBondContact OH-NE2 2.74Å; Y201-L621 PolarHBondContact N-O 3.31Å; Y201-L630 HydrophobicContact CD1-CD1 3.95Å; Y201-L630 HydrophobicContact CE1-CD1 3.53Å; Y201-L632 HydrophobicContact CE1-CD1 4.18Å; Y201-V647 HydrophobicContact CD1-CG2 3.46Å; Y201-V647 VanDerWaalsContact CD1-CG2 3.46Å; Y201-V647 HydrophobicContact CD2-CG2 4.31Å; Y201-V647 HydrophobicContact CE1-CG2 3.92Å; Y201-V647 HydrophobicContact CG-CG2 3.67Å; Y201-V651 WeakPolarHBondContact OH-CG1 3.3Å
202	H	84.6	Confident	89.8	Confident	77 Å²	77	45.6 Å²	45.6	36%	0.356	26%	0.258	S	S	.	.			trans	-121	-2.9	-178.5	-48.6	-76	0	0	0	113.5	F199 G200	F199-H202 PolarHBondContact O-NE2 3.42Å; G200-H202 PolarHBondContact O-CD2 3.48Å; G200-H202 PolarHBondContact O-NE2 3.43Å
203	G	82.5	Confident	89.8	Confident	9 Å²	9	42.6 Å²	42.6	9%	0.093	24%	0.243	C	C	.	.			trans	141.9	-153.4	-178.1	0	0	0	0	0	111.5	Y201 R652	Y201-G203 WeakPolarHBondContact CE2-O 3.5Å; G203-R652 PolarHBondContact O-NH2 3.04Å
204	H	78.5	Confident	89.8	Confident	125 Å²	125	41.2 Å²	41.2	58%	0.579	23%	0.233	S	C	*	.	S	Bend	trans	-116.2	1.3	169	-76.4	-138.9	0	0	0	111.9	Y201 P206 V651	Y201-H204 AromaticContact CE2-CD2 3.88Å; Y201-H204 AromaticContact CZ-CD2 4Å; Y201-H204 PolarHBondContact OH-CD2 2.88Å; Y201-H204 VanDerWaalsContact OH-CD2 3.22Å; Y201-H204 PolarHBondContact OH-NE2 2.74Å; H204-P206 WeakPolarHBondContact O-CD 3.31Å; H204-V651 PolarHBondContact CE1-O 3.15Å; H204-V651 PolarHBondContact NE2-O 3Å
205	G	80	Confident	89.5	Confident	55 Å²	55	38.5 Å²	38.5	57%	0.567	22%	0.215	S	C	*	.	P	Polyproline II helix	trans	-85.1	116.4	-178.6	0	0	0	0	0	111.5
206	P	88.4	Confident	89.3	Confident	75 Å²	75	34.3 Å²	34.3	49%	0.487	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-70.1	154	174.6	31.4	-36.2	0	0	0	111.2	S194 H204	S194-P206 WeakPolarHBondContact OG-CB 3.4Å; S194-P206 VanDerWaalsContact OG-CG 3.23Å; S194-P206 WeakPolarHBondContact OG-CG 3.39Å; H204-P206 WeakPolarHBondContact O-CD 3.31Å
207	S	88.9	Confident	89.2	Confident	60 Å²	60	34.5 Å²	34.5	42%	0.42	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	158.7	176	-63	0	0	0	0	111.5	R195	R195-S207 PolarHBondContact N-O 2.96Å; R195-S207 PolarHBondContact O-N 2.77Å
208	P	91.4	Very high	89	Confident	78 Å²	78	39.4 Å²	39.4	51%	0.506	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.6	168.8	-15.2	30.9	0	0	0	111.3	A152 L192	A152-P208 HydrophobicContact CB-CB 4.02Å; A152-P208 PolarHBondContact N-O 2.74Å; L192-P208 HydrophobicContact CD1-CB 4.08Å
209	F	93.4	Very high	88.9	Confident	6 Å²	6	39.2 Å²	39.2	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.9	174.5	-82.8	-102.5	0	0	0	110.2	T150 P151 C193 R195 Y244 L569	T150-F209 VanDerWaalsContact C-CD1 3.5Å; T150-F209 CarbonylContact O-C 3.58Å; T150-F209 WeakPolarHBondContact O-CA 3.45Å; T150-F209 WeakPolarHBondContact O-CD1 3.4Å; P151-F209 HydrophobicContact CB-CE1 4.39Å; P151-F209 HydrophobicContact CG-CD1 4.3Å; P151-F209 HydrophobicContact CG-CE1 3.8Å; P151-F209 HydrophobicContact CG-CZ 4.27Å; C193-F209 PolarHBondContact N-O 3.37Å; C193-F209 PolarHBondContact O-N 3.47Å; C193-F209 PolarHBondContact SG-O 2.98Å; R195-F209 HydrophobicContact CB-CB 4.28Å; R195-F209 HydrophobicContact CB-CD2 3.67Å; R195-F209 HydrophobicContact CB-CE2 4.18Å; R195-F209 HydrophobicContact CB-CG 4.09Å; R195-F209 WeakPolarHBondContact O-CE2 3.32Å; F209-Y244 HydrophobicContact CE1-CD1 4.06Å; F209-Y244 AromaticContact CE1-CD2 3.87Å; F209-Y244 HydrophobicContact CE1-CD2 3.87Å; F209-Y244 HydrophobicContact CE1-CE1 4.06Å; F209-Y244 AromaticContact CE1-CE2 3.9Å; F209-Y244 HydrophobicContact CE1-CE2 3.9Å; F209-Y244 AromaticContact CE1-CG 3.98Å; F209-Y244 HydrophobicContact CE1-CG 3.98Å; F209-Y244 AromaticContact CE1-CZ 3.99Å; F209-Y244 HydrophobicContact CZ-CE1 4.2Å; F209-Y244 HydrophobicContact CZ-CE2 4.5Å; F209-L569 HydrophobicContact CB-CD1 4.34Å; F209-L569 HydrophobicContact CD1-CD1 3.51Å; F209-L569 HydrophobicContact CD2-CD1 4.35Å; F209-L569 HydrophobicContact CE1-CD1 3.75Å; F209-L569 HydrophobicContact CG-CD1 3.84Å; F209-L569 HydrophobicContact CZ-CD1 4.26Å
210	L	93	Very high	88.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.3	170.8	-49	178.3	0	0	0	108.4	Y149 T150 A152 F156 M161 L164 V190 E191 L192 F241	Y149-L210 CarbonylContact C-O 3.56Å; Y149-L210 VanDerWaalsContact CA-O 3.29Å; Y149-L210 WeakPolarHBondContact CA-O 3.5Å; T150-L210 HydrophobicContact CG2-CB 3.93Å; T150-L210 HydrophobicContact CG2-CD1 4.22Å; T150-L210 HydrophobicContact CG2-CG 4.43Å; T150-L210 PolarHBondContact N-O 3.4Å; T150-L210 PolarHBondContact O-N 3.22Å; A152-L210 HydrophobicContact CB-CD2 3.89Å; A152-L210 HydrophobicContact CB-CG 4.03Å; F156-L210 HydrophobicContact CD1-CD1 4.41Å; F156-L210 HydrophobicContact CD1-CD2 3.73Å; F156-L210 HydrophobicContact CE1-CD1 4.03Å; F156-L210 HydrophobicContact CE1-CD2 3.4Å; F156-L210 HydrophobicContact CE1-CG 4.38Å; F156-L210 HydrophobicContact CE2-CD1 4.18Å; F156-L210 HydrophobicContact CZ-CD1 3.91Å; F156-L210 HydrophobicContact CZ-CD2 4.07Å; M161-L210 HydrophobicContact CE-CD2 3.63Å; L164-L210 HydrophobicContact CD2-CD1 3.78Å; V190-L210 HydrophobicContact CG1-CB 4.35Å; E191-L210 CarbonylContact O-C 3.6Å; E191-L210 WeakPolarHBondContact O-CA 3.39Å; L192-L210 HydrophobicContact CD1-CD2 3.68Å; L210-F241 HydrophobicContact CD1-CE1 3.9Å
211	R	95.3	Very high	88.8	Confident	67 Å²	67	39 Å²	39	25%	0.253	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.2	164.4	-178.3	174.1	176.8	-134.8	12.9	107.8	Y147 Y149 V190 E191	Y147-R211 HydrophobicContact CD2-CG 3.83Å; Y147-R211 HydrophobicContact CG-CG 4.29Å; Y149-R211 HydrophobicContact CD1-CB 3.8Å; Y149-R211 HydrophobicContact CD1-CG 4.22Å; Y149-R211 HydrophobicContact CE1-CB 3.68Å; Y149-R211 HydrophobicContact CE1-CG 3.85Å; V190-R211 CarbonylContact C-O 3.56Å; V190-R211 WeakPolarHBondContact CA-O 3.41Å; E191-R211 HydrophobicContact CB-CB 4.29Å; E191-R211 PolarHBondContact N-O 3.47Å; E191-R211 PolarHBondContact O-N 3.38Å; E191-R211 IonicContact OE1-NH1 3.42Å; E191-R211 VanDerWaalsContact OE2-CD 3.3Å; E191-R211 WeakPolarHBondContact OE2-CD 3.06Å; E191-R211 IonicContact OE2-CZ 3.77Å; E191-R211 IonicContact OE2-NE 2.76Å; E191-R211 IonicContact OE2-NH1 2.71Å; E191-R211 PolarHBondContact OE2-NH1 3.35Å
212	I	94	Very high	88.7	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.2	-178.1	-59.7	178.1	0	0	0	107.8	Y147 F148 T150 L168 V187 V190 V214 L227	Y147-I212 VanDerWaalsContact CA-O 3.24Å; Y147-I212 WeakPolarHBondContact CA-O 3.38Å; Y147-I212 WeakPolarHBondContact CB-O 3.49Å; F148-I212 HydrophobicContact CE1-CB 4.07Å; F148-I212 HydrophobicContact CE1-CG2 3.95Å; F148-I212 HydrophobicContact CE2-CB 4.31Å; F148-I212 HydrophobicContact CE2-CD1 4.14Å; F148-I212 HydrophobicContact CZ-CB 3.93Å; F148-I212 HydrophobicContact CZ-CD1 4.13Å; F148-I212 HydrophobicContact CZ-CG2 3.91Å; F148-I212 PolarHBondContact N-O 2.81Å; F148-I212 VanDerWaalsContact N-O 3.12Å; F148-I212 PolarHBondContact O-N 3.45Å; T150-I212 HydrophobicContact CG2-CD1 3.91Å; L168-I212 HydrophobicContact CD2-CD1 4.45Å; L168-I212 HydrophobicContact CD2-CG2 4.1Å; V187-I212 HydrophobicContact CG1-CG2 3.93Å; V190-I212 HydrophobicContact CG1-CG1 4.35Å; I212-V214 HydrophobicContact CG2-CG2 4.31Å; I212-L227 HydrophobicContact CD1-CD1 3.63Å; I212-L227 HydrophobicContact CD1-CD2 4.44Å
213	T	94.2	Very high	88.8	Confident	16 Å²	16	35.3 Å²	35.3	10%	0.098	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.5	-177.7	-57.5	0	0	0	0	109.8	A145 L188 A189	A145-T213 HydrophobicContact CB-CG2 3.85Å; L188-T213 HydrophobicContact CB-CG2 4.35Å; L188-T213 HydrophobicContact CD1-CG2 4.42Å; L188-T213 PolarHBondContact N-O 3.01Å; A189-T213 PolarHBondContact N-O 3.22Å; A189-T213 PolarHBondContact O-N 2.93Å
214	V	91.3	Very high	89.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.9	-166.2	-172.8	0	0	0	0	109.8	P146 F148 A186 I212 L216 L219 V220	P146-V214 VanDerWaalsContact CD-O 3.27Å; P146-V214 WeakPolarHBondContact CD-O 3.4Å; P146-V214 WeakPolarHBondContact CG-O 3.3Å; P146-V214 PolarHBondContact O-N 3.48Å; F148-V214 HydrophobicContact CD1-CG2 4.3Å; F148-V214 HydrophobicContact CE1-CG2 3.81Å; A186-V214 CarbonylContact O-C 3.28Å; A186-V214 WeakPolarHBondContact O-CA 3.38Å; A186-V214 WeakPolarHBondContact O-CG1 3.45Å; I212-V214 HydrophobicContact CG2-CG2 4.31Å; V214-L216 PolarHBondContact O-N 3.29Å; V214-L219 HydrophobicContact CG1-CB 3.47Å; V214-L219 VanDerWaalsContact CG1-CB 3.47Å; V214-L219 HydrophobicContact CG1-CD1 4.34Å; V214-V220 HydrophobicContact CB-CG2 4.45Å; V214-V220 HydrophobicContact CG2-CG2 4.48Å
215	A	87.9	Confident	89.5	Confident	14 Å²	14	35.7 Å²	35.7	12%	0.116	20%	0.203	C	C	.	.	S	Bend	trans	-67.3	-36	-172.5	0	0	0	0	0	114.6	P123 L182 A186 L188	P123-A215 VanDerWaalsContact CD-O 3.31Å; P123-A215 WeakPolarHBondContact CD-O 3.14Å; L182-A215 HydrophobicContact CD2-CB 3.98Å; A186-A215 PolarHBondContact O-N 3.44Å; L188-A215 HydrophobicContact CD2-CB 4Å; L188-A215 HydrophobicContact CG-CB 4.18Å
216	L	88.3	Confident	89.8	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.184	C	C	.	.	S	Bend	trans	-138.3	145.5	-178.2	-62.1	178.8	0	0	0	111.5	V105 L182 V214 R218 L219	V105-L216 HydrophobicContact CG1-CD1 4.48Å; V105-L216 HydrophobicContact CG1-CD2 3.88Å; V105-L216 HydrophobicContact CG2-CD2 3.96Å; L182-L216 HydrophobicContact CD1-CD1 3.83Å; V214-L216 PolarHBondContact O-N 3.29Å; L216-R218 VanDerWaalsContact C-N 3.29Å; L216-R218 HydrophobicContact CB-CG 4.09Å; L216-R218 PolarHBondContact O-N 2.74Å; L216-L219 HydrophobicContact CB-CD1 4.16Å; L216-L219 HydrophobicContact CB-CG 4.28Å; L216-L219 WeakPolarHBondContact O-CB 3.45Å; L216-L219 PolarHBondContact O-N 2.8Å
217	P	90.1	Very high	89.6	Confident	26 Å²	26	31.2 Å²	31.2	17%	0.169	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-56.5	-39.8	-176.9	-29.1	36.1	0	0	0	113.8	P146 L219 V220 F250	P146-P217 HydrophobicContact CB-CG 4.47Å; P146-P217 HydrophobicContact CG-CB 4.49Å; P146-P217 HydrophobicContact CG-CG 4.09Å; P217-L219 PolarHBondContact O-N 2.68Å; P217-V220 PolarHBondContact O-N 2.91Å; P217-V220 VanDerWaalsContact O-N 3.13Å; P217-F250 HydrophobicContact CB-CB 4.1Å; P217-F250 HydrophobicContact CB-CD1 4.4Å; P217-F250 HydrophobicContact CB-CG 4.16Å; P217-F250 HydrophobicContact CG-CB 4.05Å; P217-F250 HydrophobicContact CG-CD1 3.48Å; P217-F250 VanDerWaalsContact CG-CD1 3.48Å; P217-F250 HydrophobicContact CG-CD2 3.98Å; P217-F250 HydrophobicContact CG-CE1 3.79Å; P217-F250 HydrophobicContact CG-CE2 4.26Å; P217-F250 HydrophobicContact CG-CG 3.58Å; P217-F250 HydrophobicContact CG-CZ 4.16Å
218	R	87.6	Confident	89.5	Confident	126 Å²	126	31.7 Å²	31.7	48%	0.475	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-58.5	-18.4	176.9	63.5	-178.3	175.8	170.2	-0.7	115	E181 L216 P222	E181-R218 IonicContact OE2-CZ 3.52Å; E181-R218 IonicContact OE2-NH1 3.48Å; E181-R218 PolarHBondContact OE2-NH1 2.85Å; E181-R218 IonicContact OE2-NH2 3.93Å; E181-R218 PolarHBondContact OE2-NH2 3.46Å; L216-R218 VanDerWaalsContact C-N 3.29Å; L216-R218 HydrophobicContact CB-CG 4.09Å; L216-R218 PolarHBondContact O-N 2.74Å; R218-P222 WeakPolarHBondContact O-CD 3.28Å
219	L	88.3	Confident	89.2	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.016	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-89	-12.3	-179.4	-63.3	175.1	0	0	0	113.8	I172 L182 A186 V214 L216 P217 A221 P222 A223	I172-L219 HydrophobicContact CG2-CD2 4.08Å; L182-L219 HydrophobicContact CD1-CD1 3.94Å; L182-L219 HydrophobicContact CD2-CD1 3.56Å; L182-L219 HydrophobicContact CG-CD1 4.42Å; A186-L219 HydrophobicContact CB-CD1 4.02Å; V214-L219 HydrophobicContact CG1-CB 3.47Å; V214-L219 VanDerWaalsContact CG1-CB 3.47Å; V214-L219 HydrophobicContact CG1-CD1 4.34Å; L216-L219 HydrophobicContact CB-CD1 4.16Å; L216-L219 HydrophobicContact CB-CG 4.28Å; L216-L219 WeakPolarHBondContact O-CB 3.45Å; L216-L219 PolarHBondContact O-N 2.8Å; P217-L219 PolarHBondContact O-N 2.68Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-A221 PolarHBondContact O-N 2.93Å; L219-P222 WeakPolarHBondContact O-CD 3.45Å; L219-A223 WeakPolarHBondContact O-CB 3.07Å; L219-A223 PolarHBondContact O-N 2.97Å
220	V	90.1	Very high	88.6	Confident	22 Å²	22	35.9 Å²	35.9	13%	0.133	18%	0.176	C	C	.	.	H	α-helix	trans	-61.9	-41	176.5	176.8	0	0	0	0	111.2	P146 F148 V214 P217 A223 R224 A246	P146-V220 HydrophobicContact CB-CG2 4.17Å; F148-V220 HydrophobicContact CD1-CG1 3.89Å; F148-V220 HydrophobicContact CE1-CG1 4.41Å; F148-V220 HydrophobicContact CG-CG1 4.45Å; V214-V220 HydrophobicContact CB-CG2 4.45Å; V214-V220 HydrophobicContact CG2-CG2 4.48Å; P217-V220 PolarHBondContact O-N 2.91Å; P217-V220 VanDerWaalsContact O-N 3.13Å; V220-A223 PolarHBondContact O-N 2.83Å; V220-R224 VanDerWaalsContact O-CB 3.29Å; V220-R224 WeakPolarHBondContact O-CB 3.38Å; V220-R224 PolarHBondContact O-N 2.7Å; V220-A246 HydrophobicContact CG1-CB 4.31Å
221	A	87.4	Confident	88.1	Confident	48 Å²	48	36.5 Å²	36.5	40%	0.397	18%	0.18	S	C	.	.	H	α-helix	trans	-71	-37.2	-179.8	0	0	0	0	0	114.4	L219 R225	L219-A221 VanDerWaalsContact C-N 3.34Å; L219-A221 PolarHBondContact O-N 2.93Å; A221-R225 VanDerWaalsContact O-CG 3.31Å; A221-R225 WeakPolarHBondContact O-CG 3.37Å; A221-R225 PolarHBondContact O-N 2.96Å; A221-R225 PolarHBondContact O-NE 3.2Å; A221-R225 VanDerWaalsContact O-NE 3.14Å
222	P	87.3	Confident	87.4	Confident	10 Å²	10	42.3 Å²	42.3	7%	0.065	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-52.3	161.7	-27.8	34.1	0	0	0	114.2	R218 L219 R224 R225 L226	R218-P222 WeakPolarHBondContact O-CD 3.28Å; L219-P222 WeakPolarHBondContact O-CD 3.45Å; P222-R224 VanDerWaalsContact C-N 3.32Å; P222-R224 PolarHBondContact O-N 3.44Å; P222-R225 PolarHBondContact O-N 3.2Å; P222-L226 WeakPolarHBondContact O-CG 3.44Å; P222-L226 PolarHBondContact O-N 3.18Å; P222-L226 VanDerWaalsContact O-N 3.13Å
223	A	87.9	Confident	86.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57	-45.8	-178	0	0	0	0	0	111.9	F148 I172 L219 V220 L226 L227	F148-A223 HydrophobicContact CE1-CB 4.04Å; F148-A223 HydrophobicContact CZ-CB 4.05Å; I172-A223 HydrophobicContact CD1-CB 3.8Å; L219-A223 WeakPolarHBondContact O-CB 3.07Å; L219-A223 PolarHBondContact O-N 2.97Å; V220-A223 PolarHBondContact O-N 2.83Å; A223-L226 PolarHBondContact O-N 3.21Å; A223-L227 WeakPolarHBondContact O-CB 3.42Å; A223-L227 WeakPolarHBondContact O-CG 3.43Å; A223-L227 PolarHBondContact O-N 2.69Å
224	R	88	Confident	85.8	Confident	49 Å²	49	44.3 Å²	44.3	19%	0.185	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-51.1	176.9	-165	-174.2	77.3	-146.8	1.8	112.3	V220 P222 L226 L227 E228 P243 A246 N247	V220-R224 VanDerWaalsContact O-CB 3.29Å; V220-R224 WeakPolarHBondContact O-CB 3.38Å; V220-R224 PolarHBondContact O-N 2.7Å; P222-R224 VanDerWaalsContact C-N 3.32Å; P222-R224 PolarHBondContact O-N 3.44Å; R224-L226 VanDerWaalsContact C-N 3.31Å; R224-L226 PolarHBondContact O-N 2.95Å; R224-L227 PolarHBondContact O-N 3.39Å; R224-E228 HydrophobicContact CG-CG 4.32Å; R224-E228 IonicContact NE-OE1 2.74Å; R224-E228 PolarHBondContact NE-OE1 3.37Å; R224-E228 IonicContact NE-OE2 3.19Å; R224-E228 WeakPolarHBondContact O-CB 3.48Å; R224-E228 VanDerWaalsContact O-CG 3.25Å; R224-E228 WeakPolarHBondContact O-CG 3.43Å; R224-E228 PolarHBondContact O-N 3.02Å; R224-P243 HydrophobicContact CG-CB 3.66Å; R224-P243 HydrophobicContact CG-CG 3.73Å; R224-A246 HydrophobicContact CB-CB 4.44Å; R224-A246 HydrophobicContact CG-CB 3.95Å; R224-A246 PolarHBondContact NH1-O 2.71Å; R224-N247 PolarHBondContact NH1-OD1 2.8Å
225	R	86.8	Confident	85	Confident	94 Å²	94	48.4 Å²	48.4	36%	0.355	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-39.3	-179.3	-73.1	179.3	-60.4	130.1	4.6	112.9	D175 A221 P222 E228 Q229	D175-R225 IonicContact OD2-CZ 2.67Å; D175-R225 IonicContact OD2-NH1 3.13Å; D175-R225 IonicContact OD2-NH2 3.84Å; D175-R225 PolarHBondContact OD2-NH2 3.13Å; A221-R225 VanDerWaalsContact O-CG 3.31Å; A221-R225 WeakPolarHBondContact O-CG 3.37Å; A221-R225 PolarHBondContact O-N 2.96Å; A221-R225 PolarHBondContact O-NE 3.2Å; A221-R225 VanDerWaalsContact O-NE 3.14Å; P222-R225 PolarHBondContact O-N 3.2Å; R225-E228 WeakPolarHBondContact CA-OE2 3.24Å; R225-Q229 WeakPolarHBondContact O-CB 3.48Å; R225-Q229 WeakPolarHBondContact O-CG 3.4Å; R225-Q229 PolarHBondContact O-N 3.33Å
226	L	85.6	Confident	84.5	Confident	32 Å²	32	50.1 Å²	50.1	17%	0.168	27%	0.268	C	S	.	.	H	α-helix	trans	-70.2	-40.3	179	-67	165.4	0	0	0	111.3	L168 A171 I172 P222 A223 R224 Q229 G230 I231	L168-L226 HydrophobicContact CD1-CB 4.37Å; A171-L226 HydrophobicContact CB-CD1 3.94Å; A171-L226 HydrophobicContact CB-CD2 4.45Å; I172-L226 HydrophobicContact CG1-CD1 3.79Å; P222-L226 WeakPolarHBondContact O-CG 3.44Å; P222-L226 PolarHBondContact O-N 3.18Å; P222-L226 VanDerWaalsContact O-N 3.13Å; A223-L226 PolarHBondContact O-N 3.21Å; R224-L226 VanDerWaalsContact C-N 3.31Å; R224-L226 PolarHBondContact O-N 2.95Å; L226-Q229 PolarHBondContact O-N 3.48Å; L226-G230 CarbonylContact O-C 3.58Å; L226-G230 PolarHBondContact O-N 3.45Å; L226-I231 HydrophobicContact CB-CG2 4.38Å
227	L	85.3	Confident	84.2	Confident	4 Å²	4	52 Å²	52	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-40.5	174.5	-78	167.1	0	0	0	112.8	F148 L168 I212 A223 R224 G230 I231 F241	F148-L227 HydrophobicContact CE2-CD1 3.61Å; F148-L227 HydrophobicContact CZ-CD1 3.5Å; F148-L227 VanDerWaalsContact CZ-CD1 3.5Å; L168-L227 HydrophobicContact CD1-CG 4.18Å; L168-L227 HydrophobicContact CD2-CD1 3.98Å; L168-L227 HydrophobicContact CD2-CD2 4.34Å; L168-L227 HydrophobicContact CD2-CG 4.24Å; I212-L227 HydrophobicContact CD1-CD1 3.63Å; I212-L227 HydrophobicContact CD1-CD2 4.44Å; A223-L227 WeakPolarHBondContact O-CB 3.42Å; A223-L227 WeakPolarHBondContact O-CG 3.43Å; A223-L227 PolarHBondContact O-N 2.69Å; R224-L227 PolarHBondContact O-N 3.39Å; L227-G230 PolarHBondContact O-N 3.08Å; L227-I231 HydrophobicContact CD2-CD1 3.61Å; L227-I231 HydrophobicContact CD2-CG1 4.09Å; L227-F241 HydrophobicContact CB-CB 3.99Å; L227-F241 HydrophobicContact CB-CD2 4.49Å; L227-F241 HydrophobicContact CD2-CB 4.13Å; L227-F241 HydrophobicContact CD2-CD2 3.5Å; L227-F241 VanDerWaalsContact CD2-CD2 3.5Å; L227-F241 HydrophobicContact CD2-CE2 3.95Å; L227-F241 HydrophobicContact CD2-CG 3.82Å; L227-F241 PolarHBondContact O-N 2.74Å
228	E	86.3	Confident	83.7	Confident	70 Å²	70	55.7 Å²	55.7	33%	0.327	31%	0.31	S	S	.	.	H	α-helix	trans	-60.3	-43.6	173.1	-73.5	164.6	157.7	0	0	110.9	R224 R225 G230 S240 P243	R224-E228 HydrophobicContact CG-CG 4.32Å; R224-E228 IonicContact NE-OE1 2.74Å; R224-E228 PolarHBondContact NE-OE1 3.37Å; R224-E228 IonicContact NE-OE2 3.19Å; R224-E228 WeakPolarHBondContact O-CB 3.48Å; R224-E228 VanDerWaalsContact O-CG 3.25Å; R224-E228 WeakPolarHBondContact O-CG 3.43Å; R224-E228 PolarHBondContact O-N 3.02Å; R225-E228 WeakPolarHBondContact CA-OE2 3.24Å; E228-G230 VanDerWaalsContact C-N 3.26Å; E228-G230 PolarHBondContact O-N 3.16Å; E228-S240 PolarHBondContact O-OG 2.81Å; E228-P243 HydrophobicContact CG-CG 4.02Å; E228-P243 WeakPolarHBondContact OE1-CG 3.26Å
229	Q	84.6	Confident	83.3	Confident	151 Å²	151	50.7 Å²	50.7	71%	0.706	29%	0.294	S	S	*	.	H	α-helix	trans	-70.9	-18.9	176.9	-72.8	170.8	3.3	0	0	113.9	R225 L226	R225-Q229 WeakPolarHBondContact O-CB 3.48Å; R225-Q229 WeakPolarHBondContact O-CG 3.4Å; R225-Q229 PolarHBondContact O-N 3.33Å; L226-Q229 PolarHBondContact O-N 3.48Å
230	G	82.1	Confident	82.9	Confident	21 Å²	21	54.7 Å²	54.7	22%	0.216	32%	0.322	C	S	.	.			trans	91.3	134.1	-177.2	0	0	0	0	0	112.8	L226 L227 E228 P239	L226-G230 CarbonylContact O-C 3.58Å; L226-G230 PolarHBondContact O-N 3.45Å; L227-G230 PolarHBondContact O-N 3.08Å; E228-G230 VanDerWaalsContact C-N 3.26Å; E228-G230 PolarHBondContact O-N 3.16Å; G230-P239 VanDerWaalsContact CA-O 3.29Å; G230-P239 WeakPolarHBondContact CA-O 3.35Å
231	I	82.1	Confident	82.5	Confident	13 Å²	13	53.9 Å²	53.9	7%	0.067	32%	0.317	C	S	.	.			trans	-120	149.9	177.3	57.8	174.3	0	0	0	110.3	L164 L168 L226 L227 T238 P239 F241	L164-I231 HydrophobicContact CD1-CD1 3.61Å; L164-I231 HydrophobicContact CD1-CG1 4.13Å; L164-I231 HydrophobicContact CG-CD1 4.31Å; L168-I231 HydrophobicContact CB-CD1 3.88Å; L168-I231 HydrophobicContact CD1-CD1 4.23Å; L168-I231 HydrophobicContact CG-CD1 4.47Å; L226-I231 HydrophobicContact CB-CG2 4.38Å; L227-I231 HydrophobicContact CD2-CD1 3.61Å; L227-I231 HydrophobicContact CD2-CG1 4.09Å; I231-T238 WeakPolarHBondContact O-CA 3.37Å; I231-P239 PolarHBondContact N-O 3.17Å; I231-F241 HydrophobicContact CG1-CD2 4.46Å; I231-F241 HydrophobicContact CG1-CE2 3.93Å
232	R	81	Confident	82.3	Confident	189 Å²	189	54.3 Å²	54.3	71%	0.713	32%	0.32	S	S	*	.			trans	-70.7	133.5	179.7	-167.6	178.3	-176	-179.3	0.9	110.1	E167 G237 T238	E167-R232 WeakPolarHBondContact CG-O 3.13Å; R232-G237 CarbonylContact C-O 3.53Å; R232-G237 VanDerWaalsContact CA-O 3.3Å; R232-G237 WeakPolarHBondContact CA-O 3.39Å; R232-T238 HydrophobicContact CB-CG2 4.18Å; R232-T238 HydrophobicContact CG-CG2 4.41Å
233	V	79.3	Confident	82.2	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.012	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-132.2	129.9	173.1	-174	0	0	0	0	107.6	H160 D163 L164 L236 G237 P239	H160-V233 HydrophobicContact CB-CG1 4.25Å; D163-V233 WeakPolarHBondContact OD2-CA 3.42Å; L164-V233 HydrophobicContact CD1-CG2 3.52Å; V233-L236 HydrophobicContact CB-CB 4.27Å; V233-L236 HydrophobicContact CG1-CB 4.35Å; V233-L236 HydrophobicContact CG1-CD1 4.31Å; V233-L236 PolarHBondContact O-N 2.96Å; V233-G237 PolarHBondContact N-O 2.82Å; V233-G237 PolarHBondContact O-N 3.08Å; V233-P239 HydrophobicContact CG2-CG 4.01Å
234	A	74.9	Confident	82.3	Confident	56 Å²	56	56.1 Å²	56.1	46%	0.463	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	141.3	173.9	0	0	0	0	0	110.4	H160 D163 L236	H160-A234 PolarHBondContact CD2-O 3.25Å; D163-A234 WeakPolarHBondContact OD2-CB 3.5Å; D163-A234 PolarHBondContact OD2-N 3.28Å; A234-L236 PolarHBondContact O-N 2.81Å
235	G	73.5	Confident	82.3	Confident	85 Å²	85	54.5 Å²	54.5	88%	0.876	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	-36.7	-175.8	0	0	0	0	0	115.8
236	L	78.1	Confident	82.1	Confident	51 Å²	51	50.3 Å²	50.3	27%	0.267	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-4.9	-171.9	-66.5	170	0	0	0	115.2	F156 H160 V233 A234	F156-L236 HydrophobicContact CB-CD1 3.91Å; F156-L236 HydrophobicContact CD2-CD1 3.59Å; F156-L236 HydrophobicContact CG-CD1 4.16Å; H160-L236 HydrophobicContact CB-CD1 4.42Å; V233-L236 HydrophobicContact CB-CB 4.27Å; V233-L236 HydrophobicContact CG1-CB 4.35Å; V233-L236 HydrophobicContact CG1-CD1 4.31Å; V233-L236 PolarHBondContact O-N 2.96Å; A234-L236 PolarHBondContact O-N 2.81Å
237	G	81.1	Confident	82	Confident	40 Å²	40	54.4 Å²	54.4	41%	0.412	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	84.5	-120.7	174.6	0	0	0	0	0	112.4	R232 V233	R232-G237 CarbonylContact C-O 3.53Å; R232-G237 VanDerWaalsContact CA-O 3.3Å; R232-G237 WeakPolarHBondContact CA-O 3.39Å; V233-G237 PolarHBondContact N-O 2.82Å; V233-G237 PolarHBondContact O-N 3.08Å
238	T	81	Confident	82.1	Confident	104 Å²	104	56 Å²	56	64%	0.638	34%	0.34	S	S	*	.	S	Bend	trans	-130	69.1	176.2	53.8	0	0	0	0	111	I231 R232 S240	I231-T238 WeakPolarHBondContact O-CA 3.37Å; R232-T238 HydrophobicContact CB-CG2 4.18Å; R232-T238 HydrophobicContact CG-CG2 4.41Å; T238-S240 PolarHBondContact O-N 3.13Å
239	P	77.6	Confident	82.3	Confident	21 Å²	21	55.6 Å²	55.6	14%	0.136	34%	0.34	C	S	.	.			trans	-61	133.9	177.2	23.7	-32.1	0	0	0	111.4	P153 G230 I231 V233 F241	P153-P239 HydrophobicContact CB-CB 4.46Å; P153-P239 HydrophobicContact CG-CB 3.94Å; P153-P239 HydrophobicContact CG-CG 4.31Å; G230-P239 VanDerWaalsContact CA-O 3.29Å; G230-P239 WeakPolarHBondContact CA-O 3.35Å; I231-P239 PolarHBondContact N-O 3.17Å; V233-P239 HydrophobicContact CG2-CG 4.01Å; P239-F241 HydrophobicContact CB-CE2 4.04Å; P239-F241 HydrophobicContact CB-CZ 4.15Å; P239-F241 HydrophobicContact CG-CE2 3.71Å; P239-F241 HydrophobicContact CG-CZ 3.76Å; P239-F241 VanDerWaalsContact O-CD2 3.24Å; P239-F241 WeakPolarHBondContact O-CD2 3.36Å; P239-F241 VanDerWaalsContact O-CE2 3.26Å; P239-F241 WeakPolarHBondContact O-CE2 3.4Å
240	S	80.3	Confident	82.8	Confident	86 Å²	86	49.1 Å²	49.1	60%	0.601	31%	0.309	S	S	*	.			trans	-87.1	137.7	164.8	172.5	0	0	0	0	109	E228 T238	E228-S240 PolarHBondContact O-OG 2.81Å; T238-S240 PolarHBondContact O-N 3.13Å
241	F	81.4	Confident	83.3	Confident	5 Å²	5	49.4 Å²	49.4	2%	0.022	31%	0.305	C	S	.	.			trans	-114.8	124.5	-170.1	-71	-90.2	0	0	0	110.4	T150 P153 L164 L210 L227 I231 P239 P243	T150-F241 HydrophobicContact CG2-CB 4.4Å; T150-F241 HydrophobicContact CG2-CD1 3.76Å; T150-F241 HydrophobicContact CG2-CE1 4.48Å; T150-F241 HydrophobicContact CG2-CG 4.43Å; T150-F241 WeakPolarHBondContact OG1-CB 3.31Å; P153-F241 HydrophobicContact CG-CD1 4.38Å; P153-F241 HydrophobicContact CG-CE1 3.64Å; P153-F241 HydrophobicContact CG-CZ 4.02Å; L164-F241 HydrophobicContact CD1-CE1 4.44Å; L164-F241 HydrophobicContact CD1-CE2 3.97Å; L164-F241 HydrophobicContact CD1-CZ 3.57Å; L210-F241 HydrophobicContact CD1-CE1 3.9Å; L227-F241 HydrophobicContact CB-CB 3.99Å; L227-F241 HydrophobicContact CB-CD2 4.49Å; L227-F241 HydrophobicContact CD2-CB 4.13Å; L227-F241 HydrophobicContact CD2-CD2 3.5Å; L227-F241 VanDerWaalsContact CD2-CD2 3.5Å; L227-F241 HydrophobicContact CD2-CE2 3.95Å; L227-F241 HydrophobicContact CD2-CG 3.82Å; L227-F241 PolarHBondContact O-N 2.74Å; I231-F241 HydrophobicContact CG1-CD2 4.46Å; I231-F241 HydrophobicContact CG1-CE2 3.93Å; P239-F241 HydrophobicContact CB-CE2 4.04Å; P239-F241 HydrophobicContact CB-CZ 4.15Å; P239-F241 HydrophobicContact CG-CE2 3.71Å; P239-F241 HydrophobicContact CG-CZ 3.76Å; P239-F241 VanDerWaalsContact O-CD2 3.24Å; P239-F241 WeakPolarHBondContact O-CD2 3.36Å; P239-F241 VanDerWaalsContact O-CE2 3.26Å; P239-F241 WeakPolarHBondContact O-CE2 3.4Å; F241-P243 WeakPolarHBondContact O-CD 3.24Å
242	A	83.5	Confident	83.9	Confident	58 Å²	58	49.3 Å²	49.3	48%	0.479	31%	0.305	S	S	.	.			trans	-82.8	116.4	177.1	0	0	0	0	0	110.3	T150 P151 Y244	T150-A242 PolarHBondContact OG1-O 2.95Å; P151-A242 WeakPolarHBondContact CD-O 3.35Å; A242-Y244 VanDerWaalsContact O-CD2 3.31Å; A242-Y244 WeakPolarHBondContact O-CD2 3.29Å
243	P	85.8	Confident	84.6	Confident	16 Å²	16	41.2 Å²	41.2	10%	0.104	27%	0.274	C	S	.	.			trans	-81.4	143.6	-173.5	31.5	-34.8	0	0	0	113.5	R224 E228 F241 A246 V572	R224-P243 HydrophobicContact CG-CB 3.66Å; R224-P243 HydrophobicContact CG-CG 3.73Å; E228-P243 HydrophobicContact CG-CG 4.02Å; E228-P243 WeakPolarHBondContact OE1-CG 3.26Å; F241-P243 WeakPolarHBondContact O-CD 3.24Å; P243-A246 HydrophobicContact CB-CB 3.99Å; P243-V572 HydrophobicContact CG-CB 4.4Å; P243-V572 WeakPolarHBondContact O-CG2 3.42Å; P243-V572 PolarHBondContact O-N 3.17Å
244	Y	90.4	Very high	85.4	Confident	32 Å²	32	41.2 Å²	41.2	13%	0.125	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-121.8	135.2	175.5	-75.1	-111.1	0	0	0	108.5	Y149 P151 S197 F209 A242 A246 L569 M570 P571	Y149-Y244 PolarHBondContact N-O 2.68Å; Y149-Y244 VanDerWaalsContact N-O 3.09Å; Y149-Y244 PolarHBondContact O-N 2.96Å; P151-Y244 HydrophobicContact CG-CD2 4.32Å; P151-Y244 HydrophobicContact CG-CE2 3.68Å; S197-Y244 WeakPolarHBondContact OG-CE1 3.39Å; S197-Y244 PolarHBondContact OG-OH 2.96Å; F209-Y244 HydrophobicContact CE1-CD1 4.06Å; F209-Y244 AromaticContact CE1-CD2 3.87Å; F209-Y244 HydrophobicContact CE1-CD2 3.87Å; F209-Y244 HydrophobicContact CE1-CE1 4.06Å; F209-Y244 AromaticContact CE1-CE2 3.9Å; F209-Y244 HydrophobicContact CE1-CE2 3.9Å; F209-Y244 AromaticContact CE1-CG 3.98Å; F209-Y244 HydrophobicContact CE1-CG 3.98Å; F209-Y244 AromaticContact CE1-CZ 3.99Å; F209-Y244 HydrophobicContact CZ-CE1 4.2Å; F209-Y244 HydrophobicContact CZ-CE2 4.5Å; A242-Y244 VanDerWaalsContact O-CD2 3.31Å; A242-Y244 WeakPolarHBondContact O-CD2 3.29Å; Y244-A246 PolarHBondContact O-N 3.32Å; Y244-L569 HydrophobicContact CD1-CB 3.77Å; Y244-L569 HydrophobicContact CG-CB 4.45Å; Y244-M570 WeakPolarHBondContact CA-O 3.38Å; Y244-P571 HydrophobicContact CD1-CB 3.94Å; Y244-P571 HydrophobicContact CE1-CB 3.58Å; Y244-P571 HydrophobicContact CE1-CG 4.23Å
245	E	87.4	Confident	86.4	Confident	15 Å²	15	38.6 Å²	38.6	7%	0.07	25%	0.252	C	S	.	.	S	Bend	trans	59.1	1.6	177.3	-55.7	-176.4	172.5	0	0	116.4	N247 V248 R253 L560 L569 M570	E245-N247 PolarHBondContact O-N 3.23Å; E245-V248 HydrophobicContact CB-CG2 4.42Å; E245-V248 WeakPolarHBondContact O-CG2 3.38Å; E245-V248 PolarHBondContact O-N 3.1Å; E245-R253 IonicContact OE2-CZ 3.84Å; E245-R253 IonicContact OE2-NH1 2.71Å; E245-R253 PolarHBondContact OE2-NH1 2.98Å; E245-L560 HydrophobicContact CG-CD2 4.33Å; E245-L569 WeakPolarHBondContact OE1-CA 3.28Å; E245-M570 HydrophobicContact CG-CB 4.05Å; E245-M570 PolarHBondContact N-O 3.4Å; E245-M570 PolarHBondContact OE1-N 2.74Å
246	A	82.1	Confident	87.5	Confident	5 Å²	5	34.7 Å²	34.7	4%	0.041	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	31.2	178.2	0	0	0	0	0	114.6	F148 V220 R224 P243 Y244	F148-A246 HydrophobicContact CB-CB 3.71Å; F148-A246 HydrophobicContact CD2-CB 3.83Å; F148-A246 HydrophobicContact CG-CB 3.81Å; V220-A246 HydrophobicContact CG1-CB 4.31Å; R224-A246 HydrophobicContact CB-CB 4.44Å; R224-A246 HydrophobicContact CG-CB 3.95Å; R224-A246 PolarHBondContact NH1-O 2.71Å; P243-A246 HydrophobicContact CB-CB 3.99Å; Y244-A246 PolarHBondContact O-N 3.32Å
247	N	83.9	Confident	88.3	Confident	119 Å²	119	33.8 Å²	33.8	64%	0.636	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-152.2	29.9	176.6	-155.6	89.6	0	0	0	111.8	R224 E245	R224-N247 PolarHBondContact NH1-OD1 2.8Å; E245-N247 PolarHBondContact O-N 3.23Å
248	V	87.9	Confident	89	Confident	38 Å²	38	33.3 Å²	33.3	23%	0.23	20%	0.196	C	C	.	.	S	Bend	trans	-100.1	135.9	172.1	180	0	0	0	0	108.4	E245 I252 R253 L560	E245-V248 HydrophobicContact CB-CG2 4.42Å; E245-V248 WeakPolarHBondContact O-CG2 3.38Å; E245-V248 PolarHBondContact O-N 3.1Å; V248-I252 HydrophobicContact CG1-CB 4.12Å; V248-I252 HydrophobicContact CG1-CG2 3.96Å; V248-R253 HydrophobicContact CG1-CB 4.45Å; V248-L560 HydrophobicContact CB-CD1 4.47Å; V248-L560 HydrophobicContact CG1-CD1 3.82Å; V248-L560 HydrophobicContact CG2-CD1 3.71Å; V248-L560 HydrophobicContact CG2-CD2 4.36Å
249	D	89.9	Confident	89.8	Confident	61 Å²	61	32 Å²	32	33%	0.326	19%	0.185	S	C	.	.			trans	-63.3	143.4	175.9	-68.1	-29.7	0	0	0	110.1	E251 I252 R253 Y545 R549	D249-E251 VanDerWaalsContact C-N 3.33Å; D249-E251 PolarHBondContact O-N 2.89Å; D249-I252 HydrophobicContact CB-CB 4.36Å; D249-I252 HydrophobicContact CB-CG1 3.99Å; D249-I252 WeakPolarHBondContact O-CB 3.42Å; D249-I252 PolarHBondContact O-N 2.75Å; D249-I252 VanDerWaalsContact O-N 3.09Å; D249-R253 PolarHBondContact O-N 2.86Å; D249-Y545 PolarHBondContact OD2-OH 3.09Å; D249-R549 IonicContact OD1-NH2 3.45Å; D249-R549 IonicContact OD2-CZ 2.79Å; D249-R549 IonicContact OD2-NH2 3.47Å; D249-R549 PolarHBondContact OD2-NH2 3.19Å
250	F	94.5	Very high	90.7	Very high	14 Å²	14	31 Å²	31	6%	0.061	18%	0.179	C	C	.	.	H	α-helix	trans	-64.1	-38.1	-169.4	176.6	-128.5	0	0	0	112.9	H103 P123 L125 F144 P146 P217 I252 R253 F254	H103-F250 HydrophobicContact CB-CD1 3.91Å; H103-F250 HydrophobicContact CB-CE1 3.97Å; H103-F250 AromaticContact CG-CD1 3.78Å; P123-F250 HydrophobicContact CB-CE1 3.99Å; P123-F250 HydrophobicContact CB-CZ 3.99Å; P123-F250 HydrophobicContact CG-CZ 4.22Å; L125-F250 HydrophobicContact CD1-CE1 3.74Å; L125-F250 HydrophobicContact CD1-CZ 3.83Å; L125-F250 HydrophobicContact CG-CE1 4.23Å; F144-F250 HydrophobicContact CD1-CD2 4.39Å; F144-F250 AromaticContact CD1-CE2 3.5Å; F144-F250 HydrophobicContact CD1-CE2 3.5Å; F144-F250 AromaticContact CD1-CZ 3.8Å; F144-F250 HydrophobicContact CD1-CZ 3.8Å; F144-F250 HydrophobicContact CE1-CD2 4.15Å; F144-F250 AromaticContact CE1-CE2 3.65Å; F144-F250 HydrophobicContact CE1-CE2 3.65Å; F144-F250 HydrophobicContact CE1-CZ 4.38Å; P146-F250 HydrophobicContact CB-CD2 3.81Å; P146-F250 HydrophobicContact CB-CE2 3.88Å; P146-F250 HydrophobicContact CG-CD2 4.5Å; P146-F250 HydrophobicContact CG-CE2 4.25Å; P217-F250 HydrophobicContact CB-CB 4.1Å; P217-F250 HydrophobicContact CB-CD1 4.4Å; P217-F250 HydrophobicContact CB-CG 4.16Å; P217-F250 HydrophobicContact CG-CB 4.05Å; P217-F250 HydrophobicContact CG-CD1 3.48Å; P217-F250 VanDerWaalsContact CG-CD1 3.48Å; P217-F250 HydrophobicContact CG-CD2 3.98Å; P217-F250 HydrophobicContact CG-CE1 3.79Å; P217-F250 HydrophobicContact CG-CE2 4.26Å; P217-F250 HydrophobicContact CG-CG 3.58Å; P217-F250 HydrophobicContact CG-CZ 4.16Å; F250-I252 VanDerWaalsContact C-N 3.34Å; F250-R253 WeakPolarHBondContact O-CB 3.46Å; F250-R253 PolarHBondContact O-N 2.74Å; F250-F254 PolarHBondContact O-N 3.32Å
251	E	94.4	Very high	91.4	Very high	28 Å²	28	27.9 Å²	27.9	13%	0.131	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-39.3	175.6	-55.3	79.2	-175.3	0	0	110.8	I101 H103 D249 F254 M255	I101-E251 HydrophobicContact CD1-CB 3.84Å; I101-E251 HydrophobicContact CG1-CB 4.24Å; H103-E251 IonicContact CE1-OE1 2.71Å; H103-E251 IonicContact CG-OE1 2.73Å; H103-E251 IonicContact ND1-OE1 2.66Å; H103-E251 PolarHBondContact ND1-OE1 3.09Å; D249-E251 VanDerWaalsContact C-N 3.33Å; D249-E251 PolarHBondContact O-N 2.89Å; E251-F254 PolarHBondContact O-N 3.41Å; E251-M255 WeakPolarHBondContact O-CB 3.29Å; E251-M255 VanDerWaalsContact O-CG 3.25Å; E251-M255 WeakPolarHBondContact O-CG 3.48Å; E251-M255 PolarHBondContact O-N 3.02Å
252	I	93.4	Very high	92.1	Very high	11 Å²	11	27.8 Å²	27.8	6%	0.056	16%	0.156	C	C	.	.	H	α-helix	trans	-68.1	-40.4	175	-58.7	-63	0	0	0	110.3	V248 D249 F250 F254 M255 V256 P542 Y545	V248-I252 HydrophobicContact CG1-CB 4.12Å; V248-I252 HydrophobicContact CG1-CG2 3.96Å; D249-I252 HydrophobicContact CB-CB 4.36Å; D249-I252 HydrophobicContact CB-CG1 3.99Å; D249-I252 WeakPolarHBondContact O-CB 3.42Å; D249-I252 PolarHBondContact O-N 2.75Å; D249-I252 VanDerWaalsContact O-N 3.09Å; F250-I252 VanDerWaalsContact C-N 3.34Å; I252-F254 PolarHBondContact O-N 3.48Å; I252-M255 HydrophobicContact CD1-SD 4.28Å; I252-M255 PolarHBondContact O-N 3.1Å; I252-V256 HydrophobicContact CG2-CG2 4.29Å; I252-V256 WeakPolarHBondContact O-CB 3.19Å; I252-V256 WeakPolarHBondContact O-CG2 3.35Å; I252-V256 PolarHBondContact O-N 3.28Å; I252-P542 HydrophobicContact CD1-CG 4.4Å; I252-Y545 HydrophobicContact CD1-CD2 4.47Å; I252-Y545 HydrophobicContact CD1-CE2 4.14Å; I252-Y545 HydrophobicContact CG1-CE2 4.26Å
253	R	95.4	Very high	92.7	Very high	18 Å²	18	25 Å²	25	7%	0.068	13%	0.133	C	C	.	.	H	α-helix	trans	-57.6	-48.6	173.7	-172.3	74.3	-118.2	-174.5	-0.9	111.1	F144 Y147 E245 V248 D249 F250 V256 D257	F144-R253 HydrophobicContact CE1-CG 4.47Å; F144-R253 HydrophobicContact CZ-CG 4.14Å; Y147-R253 HydrophobicContact CE1-CG 4.41Å; Y147-R253 PolarHBondContact OH-NE 3.4Å; Y147-R253 PolarHBondContact OH-NH2 3.35Å; E245-R253 IonicContact OE2-CZ 3.84Å; E245-R253 IonicContact OE2-NH1 2.71Å; E245-R253 PolarHBondContact OE2-NH1 2.98Å; V248-R253 HydrophobicContact CG1-CB 4.45Å; D249-R253 PolarHBondContact O-N 2.86Å; F250-R253 WeakPolarHBondContact O-CB 3.46Å; F250-R253 PolarHBondContact O-N 2.74Å; R253-V256 PolarHBondContact O-N 3.31Å; R253-D257 IonicContact CZ-OD1 2.9Å; R253-D257 IonicContact NE-OD1 2.69Å; R253-D257 PolarHBondContact NE-OD1 3.05Å; R253-D257 IonicContact NE-OD2 3.3Å; R253-D257 IonicContact NH2-OD1 2.75Å; R253-D257 PolarHBondContact NH2-OD1 3.27Å; R253-D257 WeakPolarHBondContact O-CB 3.31Å; R253-D257 VanDerWaalsContact O-CG 3.29Å; R253-D257 PolarHBondContact O-N 3.15Å
254	F	96.5	Very high	93.3	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.013	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-49.2	176.5	172.5	-102.1	0	0	0	112.4	L125 I141 F144 F250 E251 I252 V256 D257 T258 I260 W292	L125-F254 HydrophobicContact CD2-CB 3.7Å; L125-F254 HydrophobicContact CD2-CD1 3.53Å; L125-F254 HydrophobicContact CD2-CD2 4.13Å; L125-F254 HydrophobicContact CD2-CE1 4.18Å; L125-F254 HydrophobicContact CD2-CG 3.5Å; L125-F254 VanDerWaalsContact CD2-CG 3.5Å; I141-F254 HydrophobicContact CD1-CE1 4.23Å; I141-F254 HydrophobicContact CD1-CZ 3.85Å; I141-F254 HydrophobicContact CG2-CE2 4.06Å; I141-F254 HydrophobicContact CG2-CZ 4.07Å; F144-F254 HydrophobicContact CB-CD2 4.43Å; F144-F254 HydrophobicContact CD1-CB 4.02Å; F144-F254 AromaticContact CD1-CD2 3.97Å; F144-F254 HydrophobicContact CD1-CD2 3.97Å; F144-F254 HydrophobicContact CD1-CG 4.45Å; F144-F254 HydrophobicContact CD2-CD2 4.1Å; F144-F254 HydrophobicContact CE1-CB 3.65Å; F144-F254 HydrophobicContact CE1-CD2 4.24Å; F144-F254 HydrophobicContact CE1-CG 4.46Å; F144-F254 HydrophobicContact CE2-CD2 4.36Å; F144-F254 AromaticContact CG-CD2 3.9Å; F144-F254 HydrophobicContact CG-CD2 3.9Å; F144-F254 HydrophobicContact CZ-CB 4.1Å; F144-F254 HydrophobicContact CZ-CD2 4.43Å; F250-F254 PolarHBondContact O-N 3.32Å; E251-F254 PolarHBondContact O-N 3.41Å; I252-F254 PolarHBondContact O-N 3.48Å; F254-V256 PolarHBondContact O-N 2.88Å; F254-D257 PolarHBondContact O-N 3.41Å; F254-T258 HydrophobicContact CD2-CG2 4.08Å; F254-T258 HydrophobicContact CE2-CG2 3.69Å; F254-T258 HydrophobicContact CZ-CG2 4.11Å; F254-T258 PolarHBondContact O-N 2.79Å; F254-T258 VanDerWaalsContact O-N 3.13Å; F254-T258 PolarHBondContact O-OG1 2.73Å; F254-I260 HydrophobicContact CE1-CD1 3.79Å; F254-I260 HydrophobicContact CZ-CD1 3.89Å; F254-W292 HydrophobicContact CE2-CB 4.25Å
255	M	97.1	Very high	93.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.3	-32.5	177.9	-77.8	-179.1	89.1	0	0	113.4	I101 E251 I252 D259 I260 P542 R561	I101-M255 HydrophobicContact CD1-CG 3.52Å; I101-M255 HydrophobicContact CD1-SD 3.45Å; I101-M255 WeakPolarHBondContact CD1-SD 3.47Å; E251-M255 WeakPolarHBondContact O-CB 3.29Å; E251-M255 VanDerWaalsContact O-CG 3.25Å; E251-M255 WeakPolarHBondContact O-CG 3.48Å; E251-M255 PolarHBondContact O-N 3.02Å; I252-M255 HydrophobicContact CD1-SD 4.28Å; I252-M255 PolarHBondContact O-N 3.1Å; M255-D259 PolarHBondContact O-N 2.76Å; M255-I260 VanDerWaalsContact CB-O 3.31Å; M255-I260 WeakPolarHBondContact CB-O 3.44Å; M255-I260 WeakPolarHBondContact CE-O 3.44Å; M255-I260 PolarHBondContact O-N 3.38Å; M255-I260 VanDerWaalsContact O-N 3.13Å; M255-I260 VanDerWaalsContact O-O 3.04Å; M255-P542 HydrophobicContact CE-CG 4.48Å; M255-P542 HydrophobicContact SD-CG 3.78Å; M255-R561 PolarHBondContact O-NH1 2.85Å; M255-R561 PolarHBondContact O-NH2 3.47Å; M255-R561 VanDerWaalsContact O-NH2 3.12Å
256	V	95.8	Very high	94.2	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-78.1	-42.5	176.4	174	0	0	0	0	111	I252 R253 F254 T258 L560 R561 M564	I252-V256 HydrophobicContact CG2-CG2 4.29Å; I252-V256 WeakPolarHBondContact O-CB 3.19Å; I252-V256 WeakPolarHBondContact O-CG2 3.35Å; I252-V256 PolarHBondContact O-N 3.28Å; R253-V256 PolarHBondContact O-N 3.31Å; F254-V256 PolarHBondContact O-N 2.88Å; V256-T258 PolarHBondContact O-N 3.32Å; V256-L560 HydrophobicContact CG1-CB 4.16Å; V256-L560 HydrophobicContact CG2-CB 4.19Å; V256-R561 HydrophobicContact CB-CG 4.39Å; V256-R561 HydrophobicContact CG1-CG 4.08Å; V256-R561 HydrophobicContact CG2-CG 3.94Å; V256-M564 HydrophobicContact CG1-CE 3.77Å
257	D	95.6	Very high	94.9	Very high	33 Å²	33	24 Å²	24	18%	0.176	13%	0.128	C	C	.	.	H	α-helix	trans	-69	-16.5	-179.5	-73.9	14.7	0	0	0	114.6	F144 Y147 R253 F254 M564	F144-D257 HydrophobicContact CE2-CB 4.01Å; F144-D257 WeakPolarHBondContact CE2-OD2 3.27Å; F144-D257 HydrophobicContact CZ-CB 4.2Å; F144-D257 WeakPolarHBondContact CZ-OD2 3.41Å; Y147-D257 WeakPolarHBondContact CE1-OD2 3.5Å; Y147-D257 VanDerWaalsContact CZ-OD2 3.27Å; Y147-D257 PolarHBondContact OH-OD1 3.38Å; Y147-D257 VanDerWaalsContact OH-OD1 3.06Å; Y147-D257 PolarHBondContact OH-OD2 2.73Å; R253-D257 IonicContact CZ-OD1 2.9Å; R253-D257 IonicContact NE-OD1 2.69Å; R253-D257 PolarHBondContact NE-OD1 3.05Å; R253-D257 IonicContact NE-OD2 3.3Å; R253-D257 IonicContact NH2-OD1 2.75Å; R253-D257 PolarHBondContact NH2-OD1 3.27Å; R253-D257 WeakPolarHBondContact O-CB 3.31Å; R253-D257 VanDerWaalsContact O-CG 3.29Å; R253-D257 PolarHBondContact O-N 3.15Å; F254-D257 PolarHBondContact O-N 3.41Å; D257-M564 HydrophobicContact CB-CE 4.5Å; D257-M564 WeakPolarHBondContact OD1-CE 3.34Å
258	T	96	Very high	95.6	Very high	29 Å²	29	18.4 Å²	18.4	18%	0.178	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	4	-175.6	55.7	0	0	0	0	114	F254 V256 I260 W292	F254-T258 HydrophobicContact CD2-CG2 4.08Å; F254-T258 HydrophobicContact CE2-CG2 3.69Å; F254-T258 HydrophobicContact CZ-CG2 4.11Å; F254-T258 PolarHBondContact O-N 2.79Å; F254-T258 VanDerWaalsContact O-N 3.13Å; F254-T258 PolarHBondContact O-OG1 2.73Å; V256-T258 PolarHBondContact O-N 3.32Å; T258-I260 PolarHBondContact O-N 3.14Å; T258-I260 VanDerWaalsContact O-N 3.08Å; T258-I260 WeakPolarHBondContact OG1-CD1 3.37Å; T258-I260 WeakPolarHBondContact OG1-CG1 3.41Å; T258-W292 HydrophobicContact CG2-CE3 3.91Å; T258-W292 HydrophobicContact CG2-CZ3 4.17Å
259	D	96.2	Very high	96	Very high	77 Å²	77	18.3 Å²	18.3	41%	0.412	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	32	-169.4	-91	-39.1	0	0	0	116.1	M255 S297 R561 H565	M255-D259 PolarHBondContact O-N 2.76Å; D259-S297 PolarHBondContact O-OG 3.35Å; D259-R561 IonicContact OD1-NH1 3.81Å; D259-R561 PolarHBondContact OD1-NH1 2.83Å; D259-H565 IonicContact OD2-NE2 2.63Å
260	I	97.1	Very high	96.2	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-80.1	123.7	170	-67	176.3	0	0	0	109	F254 M255 T258 L266 V295 S297 R561	F254-I260 HydrophobicContact CE1-CD1 3.79Å; F254-I260 HydrophobicContact CZ-CD1 3.89Å; M255-I260 VanDerWaalsContact CB-O 3.31Å; M255-I260 WeakPolarHBondContact CB-O 3.44Å; M255-I260 WeakPolarHBondContact CE-O 3.44Å; M255-I260 PolarHBondContact O-N 3.38Å; M255-I260 VanDerWaalsContact O-N 3.13Å; M255-I260 VanDerWaalsContact O-O 3.04Å; T258-I260 PolarHBondContact O-N 3.14Å; T258-I260 VanDerWaalsContact O-N 3.08Å; T258-I260 WeakPolarHBondContact OG1-CD1 3.37Å; T258-I260 WeakPolarHBondContact OG1-CG1 3.41Å; I260-L266 HydrophobicContact CD1-CD1 4.43Å; I260-L266 HydrophobicContact CD1-CD2 3.7Å; I260-L266 HydrophobicContact CG1-CD2 3.7Å; I260-L266 HydrophobicContact CG2-CD2 4.12Å; I260-V295 HydrophobicContact CD1-CG1 4.13Å; I260-S297 WeakPolarHBondContact CA-OG 3.45Å; I260-R561 PolarHBondContact O-NH2 2.99Å
261	V	95.8	Very high	96.2	Very high	20 Å²	20	18.5 Å²	18.5	12%	0.121	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-102.1	171.6	173.5	-60.7	0	0	0	0	112.1	Q98 N264 P300 R537	Q98-V261 PolarHBondContact NE2-O 3.13Å; V261-N264 HydrophobicContact CG2-CB 3.75Å; V261-N264 WeakPolarHBondContact CG2-OD1 3.38Å; V261-N264 WeakPolarHBondContact O-CB 3.42Å; V261-P300 HydrophobicContact CG2-CG 4.13Å; V261-R537 HydrophobicContact CG2-CG 4.41Å
262	G	95.4	Very high	96.2	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.021	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	142.6	175	0	0	0	0	0	111.3	N264 R537 V541	G262-N264 VanDerWaalsContact C-N 3.26Å; G262-N264 PolarHBondContact O-N 2.84Å; G262-R537 WeakPolarHBondContact O-CG 3.3Å; G262-V541 WeakPolarHBondContact CA-O 3.43Å
263	C	96.5	Very high	96.2	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	36.2	-179.6	-54.5	0	0	0	0	113.9	Q97 Q98 V533 R537	Q97-C263 PolarHBondContact NE2-O 2.69Å; Q98-C263 VanDerWaalsContact O-CA 3.31Å; Q98-C263 WeakPolarHBondContact O-CA 3.42Å; C263-V533 HydrophobicContact CB-CB 4.37Å; C263-V533 HydrophobicContact CB-CG1 3.81Å; C263-V533 HydrophobicContact CB-CG2 4.21Å; C263-R537 PolarHBondContact O-NE 2.93Å; C263-R537 PolarHBondContact O-NH2 3.15Å; C263-R537 VanDerWaalsContact O-NH2 3.13Å
264	N	97.3	Very high	96.1	Very high	1 Å²	1	22 Å²	22	1%	0.005	14%	0.135	C	C	.	.			trans	-94.2	159.1	-176	-149.1	44.4	0	0	0	113.5	Q97 Q98 V261 G262 S297 H298 P300	Q97-N264 WeakPolarHBondContact CA-O 3.37Å; Q98-N264 PolarHBondContact N-O 3.46Å; V261-N264 HydrophobicContact CG2-CB 3.75Å; V261-N264 WeakPolarHBondContact CG2-OD1 3.38Å; V261-N264 WeakPolarHBondContact O-CB 3.42Å; G262-N264 VanDerWaalsContact C-N 3.26Å; G262-N264 PolarHBondContact O-N 2.84Å; N264-S297 PolarHBondContact ND2-OG 3.44Å; N264-H298 VanDerWaalsContact CG-O 3.29Å; N264-H298 PolarHBondContact ND2-O 2.71Å; N264-H298 PolarHBondContact OD1-O 3.29Å; N264-H298 VanDerWaalsContact OD1-O 3.07Å; N264-P300 WeakPolarHBondContact OD1-CD 3.3Å
265	W	98.3	Very high	95.8	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.4	169.8	-71.7	96.1	0	0	0	110.3	I95 F96 Q97 D132 H298 W304 R306 A308	I95-W265 HydrophobicContact CG2-CE3 4.06Å; I95-W265 HydrophobicContact CG2-CZ3 4.46Å; F96-W265 VanDerWaalsContact C-CE3 3.43Å; Q97-W265 HydrophobicContact CB-CD2 3.95Å; Q97-W265 HydrophobicContact CB-CE3 3.99Å; Q97-W265 HydrophobicContact CB-CH2 4.1Å; Q97-W265 HydrophobicContact CB-CZ2 4.05Å; Q97-W265 HydrophobicContact CB-CZ3 4.07Å; Q97-W265 HydrophobicContact CG-CD2 4.44Å; D132-W265 HydrophobicContact CB-CH2 4.07Å; D132-W265 HydrophobicContact CB-CZ3 4.49Å; D132-W265 WeakPolarHBondContact OD1-CH2 3.35Å; W265-H298 HydrophobicContact CB-CB 4.17Å; W265-H298 PolarHBondContact O-N 3.37Å; W265-H298 VanDerWaalsContact O-N 3.08Å; W265-W304 HydrophobicContact CB-CE3 3.9Å; W265-W304 HydrophobicContact CB-CZ3 4.39Å; W265-W304 HydrophobicContact CD2-CE3 4.23Å; W265-W304 HydrophobicContact CD2-CZ3 4.49Å; W265-W304 AromaticContact CG-CE3 3.82Å; W265-W304 HydrophobicContact CG-CE3 3.82Å; W265-W304 HydrophobicContact CG-CZ3 4.41Å; W265-W304 PolarHBondContact NE1-O 2.84Å; W265-R306 PolarHBondContact NE1-O 3.19Å; W265-R306 VanDerWaalsContact NE1-O 3.08Å; W265-A308 HydrophobicContact CH2-CB 3.98Å; W265-A308 HydrophobicContact CZ2-CB 4.21Å
266	L	98.3	Very high	95.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144	177.1	-58	-178.4	0	0	0	109.3	I95 F96 Q98 A127 I260 V295 V296	I95-L266 WeakPolarHBondContact CA-O 3.38Å; F96-L266 HydrophobicContact CD1-CB 4.43Å; F96-L266 HydrophobicContact CE1-CB 4.01Å; F96-L266 HydrophobicContact CE2-CD1 4.39Å; F96-L266 HydrophobicContact CZ-CB 4.19Å; F96-L266 HydrophobicContact CZ-CD1 3.97Å; F96-L266 PolarHBondContact N-O 3.29Å; F96-L266 PolarHBondContact O-N 3.12Å; Q98-L266 HydrophobicContact CB-CD1 4.06Å; Q98-L266 HydrophobicContact CG-CD1 4.05Å; Q98-L266 HydrophobicContact CG-CG 4.29Å; A127-L266 HydrophobicContact CB-CD1 4.48Å; I260-L266 HydrophobicContact CD1-CD1 4.43Å; I260-L266 HydrophobicContact CD1-CD2 3.7Å; I260-L266 HydrophobicContact CG1-CD2 3.7Å; I260-L266 HydrophobicContact CG2-CD2 4.12Å; L266-V295 HydrophobicContact CB-CG1 4.47Å; L266-V295 HydrophobicContact CD2-CG1 4.29Å; L266-V296 WeakPolarHBondContact CA-O 3.42Å
267	E	98.3	Very high	94.1	Very high	43 Å²	43	32.1 Å²	32.1	20%	0.201	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.8	174.9	171.3	178.5	157.6	0	0	110.2	P93 L94 I95 V296 H298	P93-E267 HydrophobicContact CB-CG 4.37Å; L94-E267 WeakPolarHBondContact O-CA 3.18Å; I95-E267 HydrophobicContact CD1-CG 4.47Å; I95-E267 HydrophobicContact CG1-CB 4.05Å; I95-E267 HydrophobicContact CG1-CG 3.89Å; E267-V296 HydrophobicContact CB-CB 4.12Å; E267-V296 PolarHBondContact N-O 3.49Å; E267-V296 PolarHBondContact O-N 3.31Å; E267-H298 IonicContact OE2-CD2 3.51Å; E267-H298 IonicContact OE2-CE1 2.71Å; E267-H298 IonicContact OE2-NE2 2.66Å; E267-H298 PolarHBondContact OE2-NE2 3.28Å
268	L	97.4	Very high	92.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	111.1	168.4	-46.1	-174.4	0	0	0	107.8	P93 L94 F96 Y273 A288 V290 V295	P93-L268 CarbonylContact C-O 3.6Å; P93-L268 VanDerWaalsContact CA-O 3.23Å; P93-L268 WeakPolarHBondContact CA-O 3.47Å; L94-L268 HydrophobicContact CB-CB 4.27Å; L94-L268 HydrophobicContact CB-CD1 4.44Å; L94-L268 HydrophobicContact CB-CG 4.43Å; L94-L268 HydrophobicContact CD2-CD1 4.2Å; L94-L268 PolarHBondContact N-O 2.92Å; L94-L268 PolarHBondContact O-N 2.91Å; F96-L268 HydrophobicContact CE1-CG 4.46Å; L268-Y273 HydrophobicContact CB-CD1 3.65Å; L268-Y273 HydrophobicContact CB-CE1 4.26Å; L268-Y273 HydrophobicContact CB-CG 4.02Å; L268-Y273 HydrophobicContact CD1-CD2 4.47Å; L268-Y273 HydrophobicContact CD1-CG 4.1Å; L268-A288 HydrophobicContact CD1-CB 4.19Å; L268-V290 HydrophobicContact CD2-CB 4.41Å; L268-V290 HydrophobicContact CD2-CG1 4.09Å; L268-V290 HydrophobicContact CD2-CG2 4.27Å; L268-V295 HydrophobicContact CD2-CG1 4.36Å; L268-V295 HydrophobicContact CD2-CG2 4.07Å
269	P	96.8	Very high	91.9	Very high	36 Å²	36	46 Å²	46	23%	0.234	25%	0.245	C	C	.	.			trans	-65.4	152.8	-177.1	-23.5	34.7	0	0	0	113.4	G271 K272 Y273 D294 V296	P269-G271 PolarHBondContact O-N 2.92Å; P269-K272 HydrophobicContact CB-CG 4.04Å; P269-K272 WeakPolarHBondContact O-CB 3.45Å; P269-K272 PolarHBondContact O-N 2.82Å; P269-K272 VanDerWaalsContact O-N 3.09Å; P269-Y273 WeakPolarHBondContact O-CD1 3.14Å; P269-D294 WeakPolarHBondContact CD-O 3.38Å; P269-V296 HydrophobicContact CG-CG2 3.95Å
270	A	95.2	Very high	91.4	Very high	41 Å²	41	46.8 Å²	46.8	34%	0.339	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	136.3	174.9	0	0	0	0	0	111.9	T91 K272	T91-A270 WeakPolarHBondContact O-CB 3.49Å; A270-K272 VanDerWaalsContact C-N 3.26Å; A270-K272 PolarHBondContact O-N 3.08Å
271	G	93.4	Very high	90.9	Very high	39 Å²	39	48.7 Å²	48.7	40%	0.402	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	0.9	-177.1	0	0	0	0	0	115.7	P89 P269	P89-G271 WeakPolarHBondContact O-CA 3.34Å; P89-G271 PolarHBondContact O-N 3.08Å; P269-G271 PolarHBondContact O-N 2.92Å
272	K	94.4	Very high	90.8	Very high	90 Å²	90	48.1 Å²	48.1	39%	0.391	26%	0.257	S	S	.	.	S	Bend	trans	-103.3	-17	-177.7	-60	-48.2	-164	103.6	0	115.7	P269 A270 D294	P269-K272 HydrophobicContact CB-CG 4.04Å; P269-K272 WeakPolarHBondContact O-CB 3.45Å; P269-K272 PolarHBondContact O-N 2.82Å; P269-K272 VanDerWaalsContact O-N 3.09Å; A270-K272 VanDerWaalsContact C-N 3.26Å; A270-K272 PolarHBondContact O-N 3.08Å; K272-D294 HydrophobicContact CB-CB 3.99Å; K272-D294 WeakPolarHBondContact CD-OD1 3.25Å; K272-D294 HydrophobicContact CG-CB 4.31Å; K272-D294 IonicContact NZ-OD1 2.6Å; K272-D294 PolarHBondContact NZ-OD1 2.85Å
273	Y	94	Very high	90.7	Very high	6 Å²	6	51.1 Å²	51.1	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	161.4	179.5	66.1	-79.5	0	0	0	111.6	L87 P89 E92 L94 L268 P269 L275 A288 D289	L87-Y273 HydrophobicContact CD2-CE2 4.32Å; P89-Y273 HydrophobicContact CB-CD2 3.97Å; P89-Y273 HydrophobicContact CB-CE1 4.41Å; P89-Y273 HydrophobicContact CB-CE2 3.62Å; E92-Y273 WeakPolarHBondContact O-CE1 3.35Å; E92-Y273 PolarHBondContact O-OH 2.93Å; L94-Y273 HydrophobicContact CB-CE1 4.31Å; L94-Y273 HydrophobicContact CB-CE2 4.17Å; L268-Y273 HydrophobicContact CB-CD1 3.65Å; L268-Y273 HydrophobicContact CB-CE1 4.26Å; L268-Y273 HydrophobicContact CB-CG 4.02Å; L268-Y273 HydrophobicContact CD1-CD2 4.47Å; L268-Y273 HydrophobicContact CD1-CG 4.1Å; P269-Y273 WeakPolarHBondContact O-CD1 3.14Å; Y273-L275 HydrophobicContact CD2-CD2 4.12Å; Y273-L275 HydrophobicContact CD2-CG 4.37Å; Y273-L275 HydrophobicContact CE2-CD2 3.92Å; Y273-L275 HydrophobicContact CE2-CG 4.1Å; Y273-A288 HydrophobicContact CD2-CB 4.18Å; Y273-D289 CarbonylContact C-O 3.55Å; Y273-D289 VanDerWaalsContact CA-O 3.3Å; Y273-D289 WeakPolarHBondContact CA-O 3.4Å
274	A	91.8	Very high	90.6	Very high	34 Å²	34	51.2 Å²	51.2	28%	0.281	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.6	174.2	0	0	0	0	0	110.3	A288 D289	A274-A288 CarbonylContact O-C 3.56Å; A274-A288 VanDerWaalsContact O-CA 3.27Å; A274-A288 WeakPolarHBondContact O-CA 3.22Å; A274-D289 PolarHBondContact N-O 3.48Å; A274-D289 PolarHBondContact O-N 3.1Å
275	L	90.9	Very high	90.5	Very high	34 Å²	34	53.4 Å²	53.4	18%	0.178	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131.1	179.8	-66.9	176.8	0	0	0	111.9	L87 P89 Y273 L277 A288	L87-L275 HydrophobicContact CD2-CD1 4.3Å; P89-L275 HydrophobicContact CB-CG 4.36Å; P89-L275 HydrophobicContact CG-CD1 4.4Å; P89-L275 HydrophobicContact CG-CG 4.38Å; Y273-L275 HydrophobicContact CD2-CD2 4.12Å; Y273-L275 HydrophobicContact CD2-CG 4.37Å; Y273-L275 HydrophobicContact CE2-CD2 3.92Å; Y273-L275 HydrophobicContact CE2-CG 4.1Å; L275-L277 HydrophobicContact CB-CD2 4.42Å; L275-L277 HydrophobicContact CB-CG 4.4Å; L275-L277 PolarHBondContact O-N 2.88Å; L275-A288 HydrophobicContact CD2-CB 4.07Å
276	R	85.3	Confident	90.4	Very high	31 Å²	31	54.1 Å²	54.1	12%	0.117	29%	0.285	C	S	.	.			trans	-79.8	88.7	174.8	-64.1	-155.6	-171.5	168.6	9.4	111.3	H140 E279 K280 E287 D289	H140-R276 PolarHBondContact CD2-NH2 3.18Å; R276-E279 VanDerWaalsContact CD-O 3.29Å; R276-E279 WeakPolarHBondContact CD-O 3.49Å; R276-K280 HydrophobicContact CB-CG 4.33Å; R276-K280 WeakPolarHBondContact O-CE 3.18Å; R276-K280 VanDerWaalsContact O-CG 3.26Å; R276-K280 WeakPolarHBondContact O-CG 3.19Å; R276-E287 HydrophobicContact CB-CB 4.3Å; R276-E287 HydrophobicContact CB-CG 4.24Å; R276-E287 HydrophobicContact CG-CG 4.35Å; R276-E287 IonicContact CZ-OE1 3.33Å; R276-E287 PolarHBondContact N-O 3.19Å; R276-E287 IonicContact NE-OE1 2.75Å; R276-E287 IonicContact NH1-OE1 2.71Å; R276-E287 PolarHBondContact NH1-OE1 2.67Å; R276-D289 VanDerWaalsContact CG-OD2 3.26Å; R276-D289 WeakPolarHBondContact CG-OD2 3.48Å; R276-D289 IonicContact CZ-OD1 3.29Å; R276-D289 IonicContact CZ-OD2 3.81Å; R276-D289 IonicContact NE-OD1 3.99Å; R276-D289 PolarHBondContact NE-OD1 3.13Å; R276-D289 IonicContact NE-OD2 3.88Å; R276-D289 PolarHBondContact NE-OD2 2.56Å; R276-D289 IonicContact NH2-OD1 3.67Å; R276-D289 PolarHBondContact NH2-OD1 3.05Å; R276-D289 IonicContact NH2-OD2 3.15Å
277	L	71.1	Confident	90.2	Very high	153 Å²	153	54.2 Å²	54.2	80%	0.801	29%	0.286	S	S	*	.	S	Bend	trans	-84.9	-19.1	-179.8	-63	176.8	0	0	0	114.7	L275	L275-L277 HydrophobicContact CB-CD2 4.42Å; L275-L277 HydrophobicContact CB-CG 4.4Å; L275-L277 PolarHBondContact O-N 2.88Å
278	K	64.6	Low	90	Very high	203 Å²	203	52.1 Å²	52.1	88%	0.883	28%	0.276	S	S	*	.	S	Bend	trans	-124	-33.9	-177.1	-68.9	-175.1	178.1	179.5	0	115.1
279	E	81.6	Confident	89.8	Confident	150 Å²	150	52.7 Å²	52.7	70%	0.701	28%	0.279	S	S	*	.			trans	-117.6	61.1	-176	-65.6	-175.5	-174.5	0	0	111.4	R276 A281	R276-E279 VanDerWaalsContact CD-O 3.29Å; R276-E279 WeakPolarHBondContact CD-O 3.49Å; E279-A281 PolarHBondContact O-N 2.78Å
280	K	86.6	Confident	89.7	Confident	94 Å²	94	51 Å²	51	41%	0.409	27%	0.268	S	S	.	.			trans	-69.1	129.2	173.5	-75.3	-165.8	170.9	-175.6	0	111.1	R276 C284 Q285 E287	R276-K280 HydrophobicContact CB-CG 4.33Å; R276-K280 WeakPolarHBondContact O-CE 3.18Å; R276-K280 VanDerWaalsContact O-CG 3.26Å; R276-K280 WeakPolarHBondContact O-CG 3.19Å; K280-C284 PolarHBondContact NZ-O 3.14Å; K280-Q285 PolarHBondContact NZ-O 2.94Å; K280-E287 WeakPolarHBondContact CB-OE2 3.47Å; K280-E287 HydrophobicContact CD-CB 4.35Å; K280-E287 HydrophobicContact CG-CB 4.24Å
281	A	86.7	Confident	89.7	Confident	42 Å²	42	50.2 Å²	50.2	35%	0.347	26%	0.258	S	S	.	.	S	Bend	trans	-92.1	-12.8	171.5	0	0	0	0	0	112.2	E279 E287 A425	E279-A281 PolarHBondContact O-N 2.78Å; A281-E287 PolarHBondContact N-OE1 3.35Å; A281-E287 PolarHBondContact N-OE2 2.92Å; A281-A425 PolarHBondContact O-N 3.42Å
282	T	93.1	Very high	89.7	Confident	7 Å²	7	52.6 Å²	52.6	4%	0.043	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-122.4	169.9	-177.6	77.9	0	0	0	0	112.1	F128 C138 C284 E287 R423	F128-T282 HydrophobicContact CE1-CG2 4.25Å; C138-T282 HydrophobicContact CB-CG2 4.13Å; T282-C284 PolarHBondContact OG1-N 3.37Å; T282-E287 WeakPolarHBondContact CA-OE2 3.36Å; T282-E287 WeakPolarHBondContact CB-OE2 3.36Å; T282-E287 PolarHBondContact N-OE2 3.09Å; T282-E287 PolarHBondContact OG1-OE2 3.16Å; T282-R423 CarbonylContact C-O 3.53Å; T282-R423 VanDerWaalsContact CA-O 3.28Å; T282-R423 WeakPolarHBondContact CA-O 3.2Å; T282-R423 WeakPolarHBondContact CB-O 3.47Å
283	Q	92.8	Very high	89.7	Confident	65 Å²	65	51.8 Å²	51.8	30%	0.304	26%	0.26	S	S	.	.			trans	-96.9	14.1	176.7	-65.9	168	-4.3	0	0	112.3	R423 A425	Q283-R423 PolarHBondContact N-O 2.78Å; Q283-A425 HydrophobicContact CG-CB 4.18Å
284	C	95.3	Very high	89.8	Confident	4 Å²	4	52.8 Å²	52.8	3%	0.027	27%	0.266	C	S	.	.			trans	-75	151.1	179.1	-59.2	0	0	0	0	111.7	C138 K280 T282	C138-C284 HydrophobicContact CB-CB 4.03Å; K280-C284 PolarHBondContact NZ-O 3.14Å; T282-C284 PolarHBondContact OG1-N 3.37Å
285	Q	94.9	Very high	90	Very high	46 Å²	46	52.1 Å²	52.1	22%	0.215	26%	0.259	C	S	.	.	S	Bend	trans	-66.6	-44	-180	-65	177.9	-75.7	0	0	111.6	P82 P84 F135 S136 K280	P82-Q285 PolarHBondContact O-NE2 3.19Å; P84-Q285 HydrophobicContact CG-CB 4.39Å; F135-Q285 VanDerWaalsContact CA-OE1 3.25Å; S136-Q285 PolarHBondContact O-N 3.35Å; S136-Q285 PolarHBondContact OG-N 2.88Å; K280-Q285 PolarHBondContact NZ-O 2.94Å
286	L	95.3	Very high	90.3	Very high	18 Å²	18	53.3 Å²	53.3	9%	0.094	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.4	170.5	-58.7	177.5	0	0	0	109.2	P84 L87 L94 S136 V137 C138	P84-L286 HydrophobicContact CB-CD2 4.09Å; P84-L286 HydrophobicContact CB-CG 4.48Å; P84-L286 HydrophobicContact CG-CD2 4.23Å; L87-L286 HydrophobicContact CD2-CD1 4.41Å; L94-L286 HydrophobicContact CD1-CD1 3.78Å; S136-L286 PolarHBondContact O-N 3.04Å; V137-L286 WeakPolarHBondContact CA-O 3.45Å; V137-L286 HydrophobicContact CG2-CB 4.33Å; V137-L286 HydrophobicContact CG2-CD1 4.35Å; C138-L286 PolarHBondContact N-O 3.24Å
287	E	95.4	Very high	90.9	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	117.6	173.8	-173.8	170.6	154.1	0	0	108	C138 H140 R276 K280 A281 T282	C138-E287 HydrophobicContact CB-CG 4.38Å; C138-E287 WeakPolarHBondContact O-CA 3.29Å; H140-E287 IonicContact CD2-OE1 2.84Å; H140-E287 IonicContact CE1-OE1 3.49Å; H140-E287 IonicContact NE2-OE1 3.09Å; H140-E287 PolarHBondContact NE2-OE1 2.89Å; R276-E287 HydrophobicContact CB-CB 4.3Å; R276-E287 HydrophobicContact CB-CG 4.24Å; R276-E287 HydrophobicContact CG-CG 4.35Å; R276-E287 IonicContact CZ-OE1 3.33Å; R276-E287 PolarHBondContact N-O 3.19Å; R276-E287 IonicContact NE-OE1 2.75Å; R276-E287 IonicContact NH1-OE1 2.71Å; R276-E287 PolarHBondContact NH1-OE1 2.67Å; K280-E287 WeakPolarHBondContact CB-OE2 3.47Å; K280-E287 HydrophobicContact CD-CB 4.35Å; K280-E287 HydrophobicContact CG-CB 4.24Å; A281-E287 PolarHBondContact N-OE1 3.35Å; A281-E287 PolarHBondContact N-OE2 2.92Å; T282-E287 WeakPolarHBondContact CA-OE2 3.36Å; T282-E287 WeakPolarHBondContact CB-OE2 3.36Å; T282-E287 PolarHBondContact N-OE2 3.09Å; T282-E287 PolarHBondContact OG1-OE2 3.16Å
288	A	93.9	Very high	92.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.4	-171.6	0	0	0	0	0	111.7	L94 C138 H140 L268 Y273 A274 L275	L94-A288 HydrophobicContact CD2-CB 4.43Å; C138-A288 PolarHBondContact O-N 2.92Å; H140-A288 PolarHBondContact N-O 3.13Å; L268-A288 HydrophobicContact CD1-CB 4.19Å; Y273-A288 HydrophobicContact CD2-CB 4.18Å; A274-A288 CarbonylContact O-C 3.56Å; A274-A288 VanDerWaalsContact O-CA 3.27Å; A274-A288 WeakPolarHBondContact O-CA 3.22Å; L275-A288 HydrophobicContact CD2-CB 4.07Å
289	D	93.3	Very high	93.6	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.064	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.5	166.3	-64	-80.8	0	0	0	110.4	V111 H140 H142 Y273 A274 R276	V111-D289 HydrophobicContact CG1-CB 3.76Å; H140-D289 WeakPolarHBondContact CB-OD1 3.37Å; H140-D289 IonicContact CD2-OD1 2.68Å; H140-D289 IonicContact CG-OD1 3.92Å; H140-D289 WeakPolarHBondContact O-CA 3.45Å; H142-D289 IonicContact CD2-OD1 3.66Å; H142-D289 IonicContact CE1-OD1 2.67Å; H142-D289 IonicContact NE2-OD1 2.67Å; H142-D289 PolarHBondContact NE2-OD1 2.82Å; Y273-D289 CarbonylContact C-O 3.55Å; Y273-D289 VanDerWaalsContact CA-O 3.3Å; Y273-D289 WeakPolarHBondContact CA-O 3.4Å; A274-D289 PolarHBondContact N-O 3.48Å; A274-D289 PolarHBondContact O-N 3.1Å; R276-D289 VanDerWaalsContact CG-OD2 3.26Å; R276-D289 WeakPolarHBondContact CG-OD2 3.48Å; R276-D289 IonicContact CZ-OD1 3.29Å; R276-D289 IonicContact CZ-OD2 3.81Å; R276-D289 IonicContact NE-OD1 3.99Å; R276-D289 PolarHBondContact NE-OD1 3.13Å; R276-D289 IonicContact NE-OD2 3.88Å; R276-D289 PolarHBondContact NE-OD2 2.56Å; R276-D289 IonicContact NH2-OD1 3.67Å; R276-D289 PolarHBondContact NH2-OD1 3.05Å; R276-D289 IonicContact NH2-OD2 3.15Å
290	V	94.3	Very high	94.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.9	177.3	72.9	0	0	0	0	111	C139 H140 I141 H142 L268 D294 V295	C139-V290 VanDerWaalsContact SG-CG1 3.53Å; H140-V290 PolarHBondContact O-N 3.06Å; I141-V290 HydrophobicContact CG1-CG1 4.06Å; H142-V290 PolarHBondContact N-O 3.45Å; L268-V290 HydrophobicContact CD2-CB 4.41Å; L268-V290 HydrophobicContact CD2-CG1 4.09Å; L268-V290 HydrophobicContact CD2-CG2 4.27Å; V290-D294 HydrophobicContact CG2-CB 4.09Å; V290-V295 HydrophobicContact CG1-CG2 3.64Å; V290-V295 HydrophobicContact CG2-CG2 4.38Å
291	L	93.9	Very high	94.1	Very high	24 Å²	24	38 Å²	38	13%	0.126	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	140	169.6	-170.5	66.7	0	0	0	109.7	V111 S293 D294	V111-L291 HydrophobicContact CG2-CB 4.15Å; V111-L291 HydrophobicContact CG2-CD1 4.22Å; L291-S293 WeakPolarHBondContact CD2-OG 3.39Å; L291-S293 WeakPolarHBondContact CG-OG 3.45Å; L291-S293 PolarHBondContact O-N 3.01Å; L291-D294 PolarHBondContact O-N 3.25Å
292	W	94.3	Very high	94.4	Very high	89 Å²	89	38.6 Å²	38.6	34%	0.337	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-57.9	-25.5	-173.7	78	-84	0	0	0	115.1	I141 H142 G143 F144 F254 T258 D294	I141-W292 HydrophobicContact CG2-CB 3.65Å; H142-W292 WeakPolarHBondContact O-CB 3.32Å; H142-W292 PolarHBondContact O-N 3.41Å; G143-W292 VanDerWaalsContact C-CD1 3.45Å; F144-W292 HydrophobicContact CB-CB 4.14Å; F144-W292 HydrophobicContact CB-CG 4.05Å; F144-W292 AromaticContact CD2-CD2 3.94Å; F144-W292 HydrophobicContact CD2-CD2 3.94Å; F144-W292 AromaticContact CD2-CE3 4Å; F144-W292 HydrophobicContact CD2-CE3 4Å; F144-W292 HydrophobicContact CD2-CG 4.31Å; F144-W292 HydrophobicContact CD2-CZ3 4.43Å; F254-W292 HydrophobicContact CE2-CB 4.25Å; T258-W292 HydrophobicContact CG2-CE3 3.91Å; T258-W292 HydrophobicContact CG2-CZ3 4.17Å; W292-D294 VanDerWaalsContact C-N 3.34Å
293	S	94.3	Very high	94.3	Very high	73 Å²	73	42.3 Å²	42.3	51%	0.51	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-78	-12.9	178.9	48.6	0	0	0	0	114.8	L291	L291-S293 WeakPolarHBondContact CD2-OG 3.39Å; L291-S293 WeakPolarHBondContact CG-OG 3.45Å; L291-S293 PolarHBondContact O-N 3.01Å
294	D	95.9	Very high	94.4	Very high	28 Å²	28	42.1 Å²	42.1	15%	0.15	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-103.3	-1.6	-175.4	-68	-86.9	0	0	0	113.1	P269 K272 V290 L291 W292	P269-D294 WeakPolarHBondContact CD-O 3.38Å; K272-D294 HydrophobicContact CB-CB 3.99Å; K272-D294 WeakPolarHBondContact CD-OD1 3.25Å; K272-D294 HydrophobicContact CG-CB 4.31Å; K272-D294 IonicContact NZ-OD1 2.6Å; K272-D294 PolarHBondContact NZ-OD1 2.85Å; V290-D294 HydrophobicContact CG2-CB 4.09Å; L291-D294 PolarHBondContact O-N 3.25Å; W292-D294 VanDerWaalsContact C-N 3.34Å
295	V	96.6	Very high	94	Very high	20 Å²	20	48 Å²	48	12%	0.121	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-79.9	123.2	176.1	-176.7	0	0	0	0	109.9	I141 I260 L266 L268 V290	I141-V295 HydrophobicContact CD1-CG2 4.45Å; I141-V295 HydrophobicContact CG2-CG2 4.44Å; I260-V295 HydrophobicContact CD1-CG1 4.13Å; L266-V295 HydrophobicContact CB-CG1 4.47Å; L266-V295 HydrophobicContact CD2-CG1 4.29Å; L268-V295 HydrophobicContact CD2-CG1 4.36Å; L268-V295 HydrophobicContact CD2-CG2 4.07Å; V290-V295 HydrophobicContact CG1-CG2 3.64Å; V290-V295 HydrophobicContact CG2-CG2 4.38Å
296	V	98	Very high	93.9	Very high	58 Å²	58	51.4 Å²	51.4	35%	0.352	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.9	175.2	177.1	0	0	0	0	109.5	L266 E267 P269	L266-V296 WeakPolarHBondContact CA-O 3.42Å; E267-V296 HydrophobicContact CB-CB 4.12Å; E267-V296 PolarHBondContact N-O 3.49Å; E267-V296 PolarHBondContact O-N 3.31Å; P269-V296 HydrophobicContact CG-CG2 3.95Å
297	S	97.8	Very high	93.8	Very high	28 Å²	28	52.1 Å²	52.1	20%	0.196	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.6	174.1	-172	0	0	0	0	109.9	D259 I260 N264	D259-S297 PolarHBondContact O-OG 3.35Å; I260-S297 WeakPolarHBondContact CA-OG 3.45Å; N264-S297 PolarHBondContact ND2-OG 3.44Å
298	H	97.8	Very high	93.8	Very high	30 Å²	30	52 Å²	52	14%	0.139	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.4	176.4	-75.8	-70	0	0	0	110.6	N264 W265 E267 W304	N264-H298 VanDerWaalsContact CG-O 3.29Å; N264-H298 PolarHBondContact ND2-O 2.71Å; N264-H298 PolarHBondContact OD1-O 3.29Å; N264-H298 VanDerWaalsContact OD1-O 3.07Å; W265-H298 HydrophobicContact CB-CB 4.17Å; W265-H298 PolarHBondContact O-N 3.37Å; W265-H298 VanDerWaalsContact O-N 3.08Å; E267-H298 IonicContact OE2-CD2 3.51Å; E267-H298 IonicContact OE2-CE1 2.71Å; E267-H298 IonicContact OE2-NE2 2.66Å; E267-H298 PolarHBondContact OE2-NE2 3.28Å; H298-W304 HydrophobicContact CB-CD2 3.89Å; H298-W304 HydrophobicContact CB-CE3 4.46Å; H298-W304 HydrophobicContact CB-CG 3.89Å; H298-W304 AromaticContact CD2-CZ2 3.87Å; H298-W304 AromaticContact CE1-CE2 3.97Å; H298-W304 AromaticContact CE1-CZ2 3.61Å; H298-W304 AromaticContact CG-CE2 3.6Å; H298-W304 AromaticContact CG-CZ2 3.8Å; H298-W304 AromaticContact CG-NE1 3.74Å; H298-W304 AromaticContact ND1-CE2 3.52Å; H298-W304 AromaticContact ND1-CZ2 3.65Å; H298-W304 AromaticContact ND1-NE1 3.35Å; H298-W304 PolarHBondContact ND1-NE1 2.99Å; H298-W304 AromaticContact NE2-CZ2 3.74Å
299	P	94.6	Very high	93.9	Very high	75 Å²	75	54.1 Å²	54.1	49%	0.487	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-58.9	137	175.6	-25.3	35.5	0	0	0	111.5	E301 W304	P299-E301 HydrophobicContact CB-CG 4.38Å; P299-E301 PolarHBondContact O-N 2.8Å; P299-W304 VanDerWaalsContact O-CB 3.31Å; P299-W304 WeakPolarHBondContact O-CB 3.29Å
300	P	91.4	Very high	94.1	Very high	38 Å²	38	53.6 Å²	53.6	25%	0.247	29%	0.294	C	S	.	.	S	Bend	trans	-81.6	55.8	-168.7	33.4	-36.8	0	0	0	113.3	V261 N264 R537	V261-P300 HydrophobicContact CG2-CG 4.13Å; N264-P300 WeakPolarHBondContact OD1-CD 3.3Å; P300-R537 HydrophobicContact CB-CG 4.17Å; P300-R537 HydrophobicContact CG-CB 4.11Å; P300-R537 HydrophobicContact CG-CG 4.02Å
301	E	87.2	Confident	94.3	Very high	138 Å²	138	54 Å²	54	65%	0.645	30%	0.295	S	S	*	.	S	Bend	trans	-129	162.9	179.4	63.7	-176.8	175.5	0	0	111.8	P299 W304	P299-E301 HydrophobicContact CB-CG 4.38Å; P299-E301 PolarHBondContact O-N 2.8Å; E301-W304 PolarHBondContact O-N 2.86Å
302	G	91.9	Very high	94.5	Very high	55 Å²	55	53 Å²	53	57%	0.567	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	53.7	-125.5	-175.5	0	0	0	0	0	111.9	W304 Q305	G302-W304 PolarHBondContact O-N 3.09Å; G302-Q305 WeakPolarHBondContact O-CB 3.31Å; G302-Q305 PolarHBondContact O-N 2.95Å
303	P	91.6	Very high	94.7	Very high	86 Å²	86	48.7 Å²	48.7	56%	0.558	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-65.5	-21.8	-179.6	30	-35.8	0	0	0	113.6	Q305 R306	P303-Q305 VanDerWaalsContact C-N 3.33Å; P303-R306 WeakPolarHBondContact O-CG 3.19Å; P303-R306 PolarHBondContact O-NE 3.05Å
304	W	93.8	Very high	94.9	Very high	61 Å²	61	45.2 Å²	45.2	23%	0.231	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-86.7	-2.5	179.1	-56	122.3	0	0	0	113.4	I95 W265 H298 P299 E301 G302 R306	I95-W304 HydrophobicContact CG2-CH2 4.23Å; I95-W304 HydrophobicContact CG2-CZ3 4.01Å; W265-W304 HydrophobicContact CB-CE3 3.9Å; W265-W304 HydrophobicContact CB-CZ3 4.39Å; W265-W304 HydrophobicContact CD2-CE3 4.23Å; W265-W304 HydrophobicContact CD2-CZ3 4.49Å; W265-W304 AromaticContact CG-CE3 3.82Å; W265-W304 HydrophobicContact CG-CE3 3.82Å; W265-W304 HydrophobicContact CG-CZ3 4.41Å; W265-W304 PolarHBondContact NE1-O 2.84Å; H298-W304 HydrophobicContact CB-CD2 3.89Å; H298-W304 HydrophobicContact CB-CE3 4.46Å; H298-W304 HydrophobicContact CB-CG 3.89Å; H298-W304 AromaticContact CD2-CZ2 3.87Å; H298-W304 AromaticContact CE1-CE2 3.97Å; H298-W304 AromaticContact CE1-CZ2 3.61Å; H298-W304 AromaticContact CG-CE2 3.6Å; H298-W304 AromaticContact CG-CZ2 3.8Å; H298-W304 AromaticContact CG-NE1 3.74Å; H298-W304 AromaticContact ND1-CE2 3.52Å; H298-W304 AromaticContact ND1-CZ2 3.65Å; H298-W304 AromaticContact ND1-NE1 3.35Å; H298-W304 PolarHBondContact ND1-NE1 2.99Å; H298-W304 AromaticContact NE2-CZ2 3.74Å; P299-W304 VanDerWaalsContact O-CB 3.31Å; P299-W304 WeakPolarHBondContact O-CB 3.29Å; E301-W304 PolarHBondContact O-N 2.86Å; G302-W304 PolarHBondContact O-N 3.09Å; W304-R306 PolarHBondContact O-N 3.23Å
305	Q	88.4	Confident	95	Very high	127 Å²	127	44 Å²	44	59%	0.593	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-69	-15.3	173	-163.1	174.7	-9.3	0	0	112.5	G302 P303 R537	G302-Q305 WeakPolarHBondContact O-CB 3.31Å; G302-Q305 PolarHBondContact O-N 2.95Å; P303-Q305 VanDerWaalsContact C-N 3.33Å; Q305-R537 PolarHBondContact O-NH1 3.32Å
306	R	92	Very high	95.1	Very high	117 Å²	117	44.1 Å²	44.1	44%	0.442	24%	0.242	S	C	.	.			trans	-56.7	160.4	176.9	-67.5	-177.1	-68	147.4	3.6	113.4	D132 W265 P303 W304 R537	D132-R306 IonicContact OD1-NH1 3.83Å; D132-R306 IonicContact OD2-CZ 2.69Å; D132-R306 IonicContact OD2-NH1 2.76Å; D132-R306 PolarHBondContact OD2-NH1 2.85Å; D132-R306 IonicContact OD2-NH2 3.79Å; W265-R306 PolarHBondContact NE1-O 3.19Å; W265-R306 VanDerWaalsContact NE1-O 3.08Å; P303-R306 WeakPolarHBondContact O-CG 3.19Å; P303-R306 PolarHBondContact O-NE 3.05Å; W304-R306 PolarHBondContact O-N 3.23Å; R306-R537 PolarHBondContact O-NH2 3.13Å
307	I	94.5	Very high	95.1	Very high	34 Å²	34	41.8 Å²	41.8	17%	0.174	23%	0.228	C	C	.	.			trans	-125.3	132.8	174.6	-60.4	173.3	0	0	0	106.7	L310 W344 V533	I307-L310 HydrophobicContact CG2-CD1 4.44Å; I307-L310 HydrophobicContact CG2-CG 4.4Å; I307-W344 HydrophobicContact CB-CE3 4.2Å; I307-W344 HydrophobicContact CB-CH2 4.16Å; I307-W344 HydrophobicContact CB-CZ3 3.63Å; I307-W344 HydrophobicContact CD1-CH2 3.96Å; I307-W344 HydrophobicContact CD1-CZ2 4.47Å; I307-W344 HydrophobicContact CD1-CZ3 4.31Å; I307-W344 HydrophobicContact CG2-CD2 4.5Å; I307-W344 HydrophobicContact CG2-CE3 3.79Å; I307-W344 HydrophobicContact CG2-CH2 4.39Å; I307-W344 HydrophobicContact CG2-CZ3 3.74Å; I307-V533 HydrophobicContact CD1-CB 4.21Å; I307-V533 HydrophobicContact CD1-CG1 3.76Å; I307-V533 HydrophobicContact CD1-CG2 4.39Å; I307-V533 HydrophobicContact CG1-CG1 4.09Å
308	A	94.9	Very high	95	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.221	C	C	.	.			trans	-69.2	162.2	-178.6	0	0	0	0	0	112.5	Q97 V130 W265 L310	Q97-A308 HydrophobicContact CB-CB 4.13Å; V130-A308 HydrophobicContact CG2-CB 3.59Å; W265-A308 HydrophobicContact CH2-CB 3.98Å; W265-A308 HydrophobicContact CZ2-CB 4.21Å; A308-L310 VanDerWaalsContact C-N 3.29Å; A308-L310 HydrophobicContact CB-CD2 4.16Å; A308-L310 WeakPolarHBondContact O-CD2 3.25Å; A308-L310 WeakPolarHBondContact O-CG 3.31Å; A308-L310 PolarHBondContact O-N 2.84Å
309	P	95.5	Very high	94.9	Very high	43 Å²	43	40.1 Å²	40.1	28%	0.279	22%	0.218	S	C	.	.			trans	-73.5	75.9	-178.6	30.3	-36.5	0	0	0	112.5	D132	D132-P309 WeakPolarHBondContact O-CD 3.44Å; D132-P309 WeakPolarHBondContact O-CG 3.37Å
310	L	97.2	Very high	94.8	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	20%	0.2	C	C	.	.			trans	-65.3	138.6	-175.9	-46.7	-170.1	0	0	0	111.6	L99 V130 I307 A308 V312 R343 W344 L529	L99-L310 HydrophobicContact CD1-CD2 4.14Å; L99-L310 HydrophobicContact CD2-CD1 4.01Å; L99-L310 HydrophobicContact CD2-CD2 3.96Å; V130-L310 HydrophobicContact CG2-CD2 3.63Å; I307-L310 HydrophobicContact CG2-CD1 4.44Å; I307-L310 HydrophobicContact CG2-CG 4.4Å; A308-L310 VanDerWaalsContact C-N 3.29Å; A308-L310 HydrophobicContact CB-CD2 4.16Å; A308-L310 WeakPolarHBondContact O-CD2 3.25Å; A308-L310 WeakPolarHBondContact O-CG 3.31Å; A308-L310 PolarHBondContact O-N 2.84Å; L310-V312 PolarHBondContact O-N 3.34Å; L310-R343 WeakPolarHBondContact O-CA 3.21Å; L310-W344 HydrophobicContact CB-CB 4.07Å; L310-W344 PolarHBondContact O-N 3.35Å; L310-L529 HydrophobicContact CD1-CD1 4.31Å; L310-L529 HydrophobicContact CD1-CD2 4.22Å
311	R	97.8	Very high	94.7	Very high	9 Å²	9	35.4 Å²	35.4	3%	0.034	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	112.7	169.3	-70.7	-171.9	171.4	-157.6	-10.3	110.6	W79 L80 M388 D391 V392	W79-R311 PolarHBondContact O-NH1 3.35Å; L80-R311 PolarHBondContact O-NH2 2.96Å; R311-M388 HydrophobicContact CB-CE 4.23Å; R311-M388 WeakPolarHBondContact CD-O 3.42Å; R311-M388 PolarHBondContact NH1-O 2.87Å; R311-D391 PolarHBondContact N-OD2 3.31Å; R311-D391 PolarHBondContact O-N 3.35Å; R311-V392 PolarHBondContact O-N 3.24Å
312	V	98.3	Very high	94.6	Very high	1 Å²	1	33 Å²	33	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.3	174.3	-171.3	0	0	0	0	108.6	L310 G341 L342 W344 V392 T394 L520 L523 L529	L310-V312 PolarHBondContact O-N 3.34Å; V312-G341 WeakPolarHBondContact O-CA 3.27Å; V312-L342 HydrophobicContact CB-CD1 3.78Å; V312-L342 HydrophobicContact CB-CG 4.09Å; V312-L342 HydrophobicContact CG2-CD1 3.92Å; V312-L342 PolarHBondContact N-O 3.24Å; V312-L342 PolarHBondContact O-N 3.23Å; V312-W344 HydrophobicContact CG2-CB 4.45Å; V312-V392 WeakPolarHBondContact CA-O 3.4Å; V312-V392 HydrophobicContact CG1-CB 4.27Å; V312-V392 HydrophobicContact CG1-CG1 4.3Å; V312-V392 HydrophobicContact CG2-CB 4.25Å; V312-T394 HydrophobicContact CG1-CG2 4.01Å; V312-L520 HydrophobicContact CG1-CD2 3.87Å; V312-L523 HydrophobicContact CG1-CD2 4.01Å; V312-L529 HydrophobicContact CG2-CD1 4.27Å
313	L	98.4	Very high	94.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.7	173.3	-171.1	83.4	0	0	0	109.8	L340 F384 I385 M388 P390 V392 I393 T394	L313-L340 WeakPolarHBondContact CA-O 3.25Å; L313-L340 WeakPolarHBondContact CD1-O 3.41Å; L313-F384 HydrophobicContact CD1-CE1 4.16Å; L313-F384 HydrophobicContact CD1-CZ 3.89Å; L313-F384 HydrophobicContact CD2-CE1 4.26Å; L313-I385 HydrophobicContact CD2-CD1 3.26Å; L313-M388 HydrophobicContact CB-CE 4.41Å; L313-M388 HydrophobicContact CD1-CE 3.98Å; L313-M388 HydrophobicContact CD1-SD 4.41Å; L313-P390 HydrophobicContact CB-CB 3.88Å; L313-P390 HydrophobicContact CB-CG 4.39Å; L313-P390 HydrophobicContact CD2-CG 4.4Å; L313-V392 PolarHBondContact N-O 3.14Å; L313-I393 WeakPolarHBondContact O-CA 3.41Å; L313-T394 PolarHBondContact O-N 3Å
314	S	98.5	Very high	93.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.7	163.9	-172.6	0	0	0	0	109.7	S339 L340 T394 A516 L520	S314-S339 WeakPolarHBondContact O-CA 3.5Å; S314-L340 PolarHBondContact N-O 2.88Å; S314-L340 PolarHBondContact O-N 3.17Å; S314-T394 WeakPolarHBondContact CA-O 3.34Å; S314-A516 WeakPolarHBondContact CB-O 3.32Å; S314-A516 PolarHBondContact OG-O 3.1Å; S314-L520 VanDerWaalsContact CB-CG 3.45Å
315	F	98.6	Very high	92.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	163	179.3	82.5	-78.7	0	0	0	111.1	I317 C338 S339 W381 I393 I398 D402 L403 L406	F315-I317 HydrophobicContact CD2-CG2 4.08Å; F315-I317 HydrophobicContact CE2-CG2 3.99Å; F315-C338 WeakPolarHBondContact CA-O 3.31Å; F315-C338 VanDerWaalsContact CB-O 3.3Å; F315-C338 WeakPolarHBondContact CB-O 3.48Å; F315-S339 WeakPolarHBondContact CB-OG 3.5Å; F315-W381 HydrophobicContact CB-CZ2 4.5Å; F315-W381 HydrophobicContact CD1-CZ2 4.2Å; F315-W381 HydrophobicContact CD2-CH2 4.38Å; F315-W381 AromaticContact CD2-CZ2 3.71Å; F315-W381 HydrophobicContact CD2-CZ2 3.71Å; F315-W381 HydrophobicContact CE1-CZ2 4.39Å; F315-W381 HydrophobicContact CE2-CH2 4.12Å; F315-W381 AromaticContact CE2-CZ2 3.91Å; F315-W381 HydrophobicContact CE2-CZ2 3.91Å; F315-W381 AromaticContact CG-CZ2 3.87Å; F315-W381 HydrophobicContact CG-CZ2 3.87Å; F315-W381 HydrophobicContact CZ-CH2 4.22Å; F315-W381 HydrophobicContact CZ-CZ2 4.26Å; F315-I393 HydrophobicContact CD1-CG2 4.06Å; F315-I393 HydrophobicContact CE1-CG2 3.88Å; F315-I398 HydrophobicContact CD1-CG2 4.48Å; F315-I398 HydrophobicContact CE1-CB 4.23Å; F315-I398 HydrophobicContact CE1-CD1 4.34Å; F315-I398 HydrophobicContact CE1-CG2 3.84Å; F315-I398 HydrophobicContact CZ-CB 4.23Å; F315-I398 HydrophobicContact CZ-CG2 3.91Å; F315-D402 HydrophobicContact CE2-CB 3.91Å; F315-D402 HydrophobicContact CZ-CB 4.02Å; F315-L403 HydrophobicContact CE1-CD2 4.14Å; F315-L403 HydrophobicContact CE1-CG 4.49Å; F315-L403 HydrophobicContact CZ-CD2 3.59Å; F315-L403 HydrophobicContact CZ-CG 3.94Å; F315-L406 HydrophobicContact CE2-CD1 3.96Å
316	D	98.4	Very high	92.2	Very high	23 Å²	23	33.4 Å²	33.4	12%	0.123	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	152.9	-177.7	-168.7	84.2	0	0	0	108.4	C338 C512 A516	D316-C338 PolarHBondContact N-O 3.31Å; D316-C338 VanDerWaalsContact N-O 3.15Å; D316-C338 PolarHBondContact O-N 3.32Å; D316-C512 PolarHBondContact OD2-SG 2.95Å; D316-A516 HydrophobicContact CB-CB 3.74Å
317	I	97.9	Very high	91.9	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.041	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.2	-177.5	82.2	-177.5	0	0	0	112.5	F315 V334 Q336 I337 F401 D402 Y405 L406	F315-I317 HydrophobicContact CD2-CG2 4.08Å; F315-I317 HydrophobicContact CE2-CG2 3.99Å; I317-V334 HydrophobicContact CB-CG1 4.45Å; I317-V334 HydrophobicContact CD1-CG2 4.46Å; I317-Q336 WeakPolarHBondContact CA-O 3.43Å; I317-I337 HydrophobicContact CG2-CG1 4.21Å; I317-I337 HydrophobicContact CG2-CG2 4.24Å; I317-F401 HydrophobicContact CD1-CE1 4.36Å; I317-F401 HydrophobicContact CG1-CE1 4.2Å; I317-D402 HydrophobicContact CD1-CB 4.21Å; I317-Y405 HydrophobicContact CD1-CD1 4.33Å; I317-Y405 HydrophobicContact CD1-CG 4.43Å; I317-L406 HydrophobicContact CD1-CD2 4.42Å; I317-L406 HydrophobicContact CD1-CG 4.13Å; I317-L406 HydrophobicContact CG2-CD1 4.15Å; I317-L406 HydrophobicContact CG2-CD2 4.43Å; I317-L406 HydrophobicContact CG2-CG 4.46Å
318	E	96.8	Very high	91.7	Very high	14 Å²	14	31 Å²	31	7%	0.065	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.8	173.8	-69.9	-69	-174.8	0	0	111.8	V334 I335 Q336 I494 L508 Y511 C512	E318-V334 CarbonylContact O-C 3.57Å; E318-V334 WeakPolarHBondContact O-CA 3.21Å; E318-I335 HydrophobicContact CB-CD1 4.21Å; E318-I335 HydrophobicContact CB-CG1 3.85Å; E318-I335 VanDerWaalsContact O-CG1 3.24Å; E318-I335 WeakPolarHBondContact O-CG1 3.41Å; E318-I335 PolarHBondContact O-N 3.05Å; E318-Q336 HydrophobicContact CB-CB 4.07Å; E318-Q336 HydrophobicContact CG-CB 4.38Å; E318-Q336 PolarHBondContact N-O 3.1Å; E318-I494 WeakPolarHBondContact OE2-CD1 3.47Å; E318-L508 HydrophobicContact CG-CD1 4.07Å; E318-L508 HydrophobicContact CG-CG 4.23Å; E318-Y511 WeakPolarHBondContact OE1-CD1 3.49Å; E318-Y511 WeakPolarHBondContact OE1-CE1 3.39Å; E318-C512 HydrophobicContact CG-CB 3.82Å
319	C	95.2	Very high	91.6	Very high	9 Å²	9	32 Å²	32	6%	0.061	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.2	-179.2	-61	0	0	0	0	112.2	G321 P327 P333 Y405	C319-G321 PolarHBondContact O-N 2.84Å; C319-P327 HydrophobicContact CB-CB 4Å; C319-P327 HydrophobicContact CB-CG 4.1Å; C319-P333 CarbonylContact C-O 3.59Å; C319-P333 VanDerWaalsContact CA-O 3.25Å; C319-P333 WeakPolarHBondContact CA-O 3.45Å; C319-Y405 HydrophobicContact CB-CE1 4.47Å; C319-Y405 WeakPolarHBondContact SG-CE1 3.35Å
320	A	93.3	Very high	91.6	Very high	14 Å²	14	35.1 Å²	35.1	12%	0.116	18%	0.178	C	C	.	.			trans	-82.6	80.2	-178.7	0	0	0	0	0	112.4	P333 I335 T495	A320-P333 HydrophobicContact CB-CG 4.11Å; A320-P333 PolarHBondContact N-O 2.76Å; A320-I335 HydrophobicContact CB-CD1 4.21Å; A320-I335 HydrophobicContact CB-CG2 3.76Å; A320-T495 VanDerWaalsContact C-OG1 3.23Å; A320-T495 WeakPolarHBondContact CA-OG1 3.39Å; A320-T495 HydrophobicContact CB-CG2 4.35Å
321	G	87.7	Confident	91.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.01	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-72.5	155.7	-178.1	0	0	0	0	0	115.9	C319 T495	C319-G321 PolarHBondContact O-N 2.84Å; G321-T495 PolarHBondContact N-OG1 2.96Å; G321-T495 PolarHBondContact O-OG1 3.01Å
322	R	87.1	Confident	91.4	Very high	86 Å²	86	43.3 Å²	43.3	33%	0.325	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-70.3	148.3	169.1	-72.4	157	-73.8	149	3.7	112	G324 I325 E328 D332	R322-G324 PolarHBondContact O-N 2.76Å; R322-I325 HydrophobicContact CB-CB 4.22Å; R322-I325 HydrophobicContact CB-CD1 4.07Å; R322-I325 HydrophobicContact CB-CG1 4.38Å; R322-I325 PolarHBondContact O-N 3.35Å; R322-I325 VanDerWaalsContact O-O 3.08Å; R322-E328 IonicContact CZ-OE2 3.78Å; R322-E328 VanDerWaalsContact CZ-OE2 3.25Å; R322-E328 IonicContact NH1-OE2 2.68Å; R322-E328 PolarHBondContact NH1-OE2 3.42Å; R322-E328 IonicContact NH2-OE2 3.98Å; R322-E328 PolarHBondContact NH2-OE2 2.89Å; R322-D332 IonicContact CZ-OD1 3.31Å; R322-D332 IonicContact CZ-OD2 3.65Å; R322-D332 PolarHBondContact N-OD1 3.22Å; R322-D332 IonicContact NE-OD1 2.76Å; R322-D332 PolarHBondContact NE-OD1 3.02Å; R322-D332 IonicContact NE-OD2 3.52Å; R322-D332 IonicContact NH2-OD1 3.67Å; R322-D332 PolarHBondContact NH2-OD1 3.25Å; R322-D332 IonicContact NH2-OD2 2.65Å; R322-D332 PolarHBondContact NH2-OD2 3.16Å
323	K	79.5	Confident	91.3	Very high	132 Å²	132	44.9 Å²	44.9	57%	0.574	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	123.7	-178.1	-62.3	-169.7	178.2	-178.4	0	110.9	S492 D496	K323-S492 WeakPolarHBondContact CE-O 3.42Å; K323-D496 WeakPolarHBondContact CE-OD1 3.4Å; K323-D496 IonicContact NZ-OD1 3.75Å; K323-D496 PolarHBondContact NZ-OD1 3.23Å; K323-D496 IonicContact NZ-OD2 3.74Å; K323-D496 PolarHBondContact NZ-OD2 2.96Å
324	G	72.8	Confident	91.3	Very high	45 Å²	45	44.9 Å²	44.9	46%	0.464	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	18.1	-176.8	0	0	0	0	0	115.1	R322	R322-G324 PolarHBondContact O-N 2.76Å
325	I	80.4	Confident	91.3	Very high	61 Å²	61	45 Å²	45	31%	0.313	22%	0.22	S	C	.	.	S	Bend	trans	-134.2	141.2	175.3	-52.5	178.8	0	0	0	107.4	R322	R322-I325 HydrophobicContact CB-CB 4.22Å; R322-I325 HydrophobicContact CB-CD1 4.07Å; R322-I325 HydrophobicContact CB-CG1 4.38Å; R322-I325 PolarHBondContact O-N 3.35Å; R322-I325 VanDerWaalsContact O-O 3.08Å
326	F	80.7	Confident	91.3	Very high	101 Å²	101	45 Å²	45	44%	0.443	22%	0.22	S	C	.	.			trans	-82.4	145	171.7	-177.1	-88.2	0	0	0	109.7	E328 F401	F326-E328 PolarHBondContact O-N 3.13Å; F326-F401 HydrophobicContact CE1-CD2 4.1Å; F326-F401 AromaticContact CE1-CE2 3.67Å; F326-F401 HydrophobicContact CE1-CE2 3.67Å; F326-F401 AromaticContact CZ-CD2 3.99Å; F326-F401 HydrophobicContact CZ-CD2 3.99Å; F326-F401 AromaticContact CZ-CE2 3.64Å; F326-F401 HydrophobicContact CZ-CE2 3.64Å; F326-F401 HydrophobicContact CZ-CZ 4.41Å
327	P	87.1	Confident	91.3	Very high	14 Å²	14	43.9 Å²	43.9	9%	0.091	21%	0.214	C	C	.	.			trans	-52	127.3	-172.7	-29.7	36.7	0	0	0	114.6	C319 D332 Y405	C319-P327 HydrophobicContact CB-CB 4Å; C319-P327 HydrophobicContact CB-CG 4.1Å; P327-D332 WeakPolarHBondContact CA-OD2 3.46Å; P327-D332 HydrophobicContact CB-CB 4.36Å; P327-Y405 HydrophobicContact CB-CE2 3.74Å; P327-Y405 WeakPolarHBondContact CB-OH 3.48Å
328	E	90.3	Very high	91.3	Very high	85 Å²	85	43.5 Å²	43.5	40%	0.397	21%	0.212	S	C	.	.			trans	-108.6	119.7	175.9	-60.3	176.3	141.6	0	0	108.6	R322 F326 E330 R331 D332 Y405	R322-E328 IonicContact CZ-OE2 3.78Å; R322-E328 VanDerWaalsContact CZ-OE2 3.25Å; R322-E328 IonicContact NH1-OE2 2.68Å; R322-E328 PolarHBondContact NH1-OE2 3.42Å; R322-E328 IonicContact NH2-OE2 3.98Å; R322-E328 PolarHBondContact NH2-OE2 2.89Å; F326-E328 PolarHBondContact O-N 3.13Å; E328-E330 PolarHBondContact O-N 3.06Å; E328-E330 VanDerWaalsContact O-N 3.08Å; E328-R331 HydrophobicContact CB-CB 4.49Å; E328-R331 PolarHBondContact O-N 3.4Å; E328-D332 PolarHBondContact N-OD2 3.2Å; E328-D332 PolarHBondContact O-N 2.73Å; E328-Y405 PolarHBondContact O-OH 2.91Å
329	P	93.3	Very high	91.4	Very high	23 Å²	23	42.9 Å²	42.9	15%	0.149	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-31.8	-174.9	-25.3	31.6	0	0	0	114.5	R331 Y405 R409	P329-R331 PolarHBondContact O-N 3.06Å; P329-Y405 HydrophobicContact CB-CE1 4.44Å; P329-Y405 HydrophobicContact CB-CE2 4.36Å; P329-Y405 HydrophobicContact CG-CD2 3.69Å; P329-Y405 HydrophobicContact CG-CE2 3.72Å; P329-Y405 HydrophobicContact CG-CG 4.1Å; P329-R409 WeakPolarHBondContact O-CD 3.48Å; P329-R409 PolarHBondContact O-NH1 3.16Å
330	E	95.4	Very high	91.5	Very high	107 Å²	107	42.4 Å²	42.4	50%	0.5	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-8.3	-179.1	-57.9	72.3	-158.3	0	0	112.8	E328	E328-E330 PolarHBondContact O-N 3.06Å; E328-E330 VanDerWaalsContact O-N 3.08Å
331	R	93.7	Very high	91.6	Very high	177 Å²	177	41.8 Å²	41.8	67%	0.668	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133	-63.6	-172.9	-63.4	-61.3	176.9	-166.9	-1.8	112.7	E328 P329 R409	E328-R331 HydrophobicContact CB-CB 4.49Å; E328-R331 PolarHBondContact O-N 3.4Å; P329-R331 PolarHBondContact O-N 3.06Å; R331-R409 VanDerWaalsContact C-NH1 3.3Å; R331-R409 PolarHBondContact O-NH1 2.77Å; R331-R409 VanDerWaalsContact O-NH1 3.11Å
332	D	95.4	Very high	91.9	Very high	7 Å²	7	42 Å²	42	4%	0.037	20%	0.202	C	C	.	.	S	Bend	trans	-81.3	132.7	-169.6	-49.1	-66.4	0	0	0	110.3	R322 P327 E328 Y405 R409	R322-D332 IonicContact CZ-OD1 3.31Å; R322-D332 IonicContact CZ-OD2 3.65Å; R322-D332 PolarHBondContact N-OD1 3.22Å; R322-D332 IonicContact NE-OD1 2.76Å; R322-D332 PolarHBondContact NE-OD1 3.02Å; R322-D332 IonicContact NE-OD2 3.52Å; R322-D332 IonicContact NH2-OD1 3.67Å; R322-D332 PolarHBondContact NH2-OD1 3.25Å; R322-D332 IonicContact NH2-OD2 2.65Å; R322-D332 PolarHBondContact NH2-OD2 3.16Å; P327-D332 WeakPolarHBondContact CA-OD2 3.46Å; P327-D332 HydrophobicContact CB-CB 4.36Å; E328-D332 PolarHBondContact N-OD2 3.2Å; E328-D332 PolarHBondContact O-N 2.73Å; D332-Y405 PolarHBondContact O-OH 3.26Å; D332-R409 PolarHBondContact O-NH1 2.82Å
333	P	97.3	Very high	92.3	Very high	34 Å²	34	41.2 Å²	41.2	22%	0.221	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-81.6	148.2	-175.8	31.5	-34.2	0	0	0	112.6	C319 A320 I335 E374	C319-P333 CarbonylContact C-O 3.59Å; C319-P333 VanDerWaalsContact CA-O 3.25Å; C319-P333 WeakPolarHBondContact CA-O 3.45Å; A320-P333 HydrophobicContact CB-CG 4.11Å; A320-P333 PolarHBondContact N-O 2.76Å; P333-I335 HydrophobicContact CB-CG2 4.39Å; P333-I335 HydrophobicContact CG-CG2 4.07Å; P333-E374 WeakPolarHBondContact CA-OE1 3.41Å; P333-E374 VanDerWaalsContact CB-OE2 3.26Å; P333-E374 WeakPolarHBondContact CB-OE2 3.44Å
334	V	98.3	Very high	92.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127	159.3	-178.6	0	0	0	0	107.7	I317 E318 I337 E374 L377 Y405 L406 R409	I317-V334 HydrophobicContact CB-CG1 4.45Å; I317-V334 HydrophobicContact CD1-CG2 4.46Å; E318-V334 CarbonylContact O-C 3.57Å; E318-V334 WeakPolarHBondContact O-CA 3.21Å; V334-I337 HydrophobicContact CG1-CD1 4.2Å; V334-I337 HydrophobicContact CG1-CG1 3.84Å; V334-E374 PolarHBondContact N-OE1 2.9Å; V334-L377 HydrophobicContact CG1-CD2 4.48Å; V334-Y405 HydrophobicContact CG2-CD1 3.76Å; V334-Y405 HydrophobicContact CG2-CE1 3.79Å; V334-L406 HydrophobicContact CG1-CD2 4.37Å; V334-L406 HydrophobicContact CG2-CD2 4.26Å; V334-R409 HydrophobicContact CG2-CG 4.28Å
335	I	97.9	Very high	93.6	Very high	3 Å²	3	40 Å²	40	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-24	-172.4	55	158.8	0	0	0	113.6	E318 A320 P333 L357 I494 Q498 L508	E318-I335 HydrophobicContact CB-CD1 4.21Å; E318-I335 HydrophobicContact CB-CG1 3.85Å; E318-I335 VanDerWaalsContact O-CG1 3.24Å; E318-I335 WeakPolarHBondContact O-CG1 3.41Å; E318-I335 PolarHBondContact O-N 3.05Å; A320-I335 HydrophobicContact CB-CD1 4.21Å; A320-I335 HydrophobicContact CB-CG2 3.76Å; P333-I335 HydrophobicContact CB-CG2 4.39Å; P333-I335 HydrophobicContact CG-CG2 4.07Å; I335-L357 HydrophobicContact CB-CB 4.46Å; I335-L357 HydrophobicContact CG2-CD2 4.15Å; I335-L357 WeakPolarHBondContact O-CB 3.41Å; I335-L357 PolarHBondContact O-N 3.02Å; I335-I494 HydrophobicContact CD1-CG2 3.96Å; I335-Q498 HydrophobicContact CB-CG 4.18Å; I335-Q498 HydrophobicContact CD1-CB 3.7Å; I335-Q498 HydrophobicContact CD1-CG 3.68Å; I335-Q498 HydrophobicContact CG2-CG 4.1Å; I335-L508 HydrophobicContact CD1-CD2 3.73Å
336	Q	98.1	Very high	94.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.2	171.7	-54.5	-170.9	-6.6	0	0	110	I317 E318 L355 T356 R505 L508	I317-Q336 WeakPolarHBondContact CA-O 3.43Å; E318-Q336 HydrophobicContact CB-CB 4.07Å; E318-Q336 HydrophobicContact CG-CB 4.38Å; E318-Q336 PolarHBondContact N-O 3.1Å; Q336-L355 CarbonylContact C-O 3.53Å; Q336-L355 VanDerWaalsContact CA-O 3.3Å; Q336-L355 WeakPolarHBondContact CA-O 3.35Å; Q336-T356 HydrophobicContact CG-CG2 4.14Å; Q336-R505 PolarHBondContact NE2-O 3.33Å; Q336-R505 VanDerWaalsContact NE2-O 3.08Å; Q336-L508 HydrophobicContact CG-CD2 4.47Å
337	I	98.6	Very high	94.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	115.5	169.9	-54.8	174.2	0	0	0	107.2	I317 V334 L355 L377 W381 L406	I317-I337 HydrophobicContact CG2-CG1 4.21Å; I317-I337 HydrophobicContact CG2-CG2 4.24Å; V334-I337 HydrophobicContact CG1-CD1 4.2Å; V334-I337 HydrophobicContact CG1-CG1 3.84Å; I337-L355 PolarHBondContact N-O 3.12Å; I337-L355 PolarHBondContact O-N 2.69Å; I337-L377 HydrophobicContact CD1-CG 4.37Å; I337-W381 HydrophobicContact CD1-CB 4.1Å; I337-W381 HydrophobicContact CD1-CG 4.14Å; I337-W381 VanDerWaalsContact CG2-CD1 3.47Å; I337-W381 HydrophobicContact CG2-CD2 4.37Å; I337-W381 HydrophobicContact CG2-CG 4.03Å; I337-L406 HydrophobicContact CD1-CD2 3.9Å
338	C	98.4	Very high	94.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145.9	177	-66.4	0	0	0	0	110.5	F315 D316 L353 C512 L513 A516	F315-C338 WeakPolarHBondContact CA-O 3.31Å; F315-C338 VanDerWaalsContact CB-O 3.3Å; F315-C338 WeakPolarHBondContact CB-O 3.48Å; D316-C338 PolarHBondContact N-O 3.31Å; D316-C338 VanDerWaalsContact N-O 3.15Å; D316-C338 PolarHBondContact O-N 3.32Å; C338-L353 WeakPolarHBondContact CA-O 3.48Å; C338-C512 HydrophobicContact CB-CB 4.19Å; C338-C512 VanDerWaalsContact CB-SG 3.54Å; C338-C512 VanDerWaalsContact SG-CB 3.6Å; C338-L513 HydrophobicContact CB-CD2 4.01Å; C338-L513 HydrophobicContact CB-CG 4.1Å; C338-A516 HydrophobicContact CB-CB 4.32Å
339	S	98.2	Very high	94.8	Very high	1 Å²	1	44 Å²	44	1%	0.007	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	132.8	-174.8	-69.6	0	0	0	0	111.6	S314 F315 L353 W381	S314-S339 WeakPolarHBondContact O-CA 3.5Å; F315-S339 WeakPolarHBondContact CB-OG 3.5Å; S339-L353 PolarHBondContact N-O 2.89Å; S339-L353 PolarHBondContact O-N 3.08Å; S339-W381 PolarHBondContact OG-NE1 3.37Å
340	L	97.5	Very high	94.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.1	176.4	-72.8	89.7	0	0	0	110.4	L313 S314 P349 L351 R352 L513 A516 Y517 L520	L313-L340 WeakPolarHBondContact CA-O 3.25Å; L313-L340 WeakPolarHBondContact CD1-O 3.41Å; S314-L340 PolarHBondContact N-O 2.88Å; S314-L340 PolarHBondContact O-N 3.17Å; L340-P349 HydrophobicContact CD2-CG 4.32Å; L340-L351 WeakPolarHBondContact CA-O 3.31Å; L340-R352 HydrophobicContact CD2-CG 4.03Å; L340-R352 HydrophobicContact CG-CG 4.19Å; L340-L513 HydrophobicContact CD1-CD2 3.98Å; L340-A516 HydrophobicContact CD1-CB 3.57Å; L340-Y517 HydrophobicContact CD2-CD2 3.69Å; L340-Y517 HydrophobicContact CD2-CG 3.76Å; L340-L520 HydrophobicContact CB-CD1 3.76Å
341	G	95.6	Very high	94.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.9	-179.9	0	0	0	0	0	112.2	V312 P349 F350 L351	V312-G341 WeakPolarHBondContact O-CA 3.27Å; G341-P349 CarbonylContact O-C 3.53Å; G341-P349 VanDerWaalsContact O-CA 3.26Å; G341-P349 WeakPolarHBondContact O-CA 3.5Å; G341-P349 VanDerWaalsContact O-CB 3.26Å; G341-P349 WeakPolarHBondContact O-CB 3.25Å; G341-F350 PolarHBondContact O-N 3.06Å; G341-F350 VanDerWaalsContact O-N 3.15Å; G341-L351 PolarHBondContact N-O 3.37Å; G341-L351 PolarHBondContact O-N 3.45Å
342	L	94.4	Very high	94.8	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.2	172.2	66.5	80.5	0	0	0	111	V312 P349 L520 E524	V312-L342 HydrophobicContact CB-CD1 3.78Å; V312-L342 HydrophobicContact CB-CG 4.09Å; V312-L342 HydrophobicContact CG2-CD1 3.92Å; V312-L342 PolarHBondContact N-O 3.24Å; V312-L342 PolarHBondContact O-N 3.23Å; L342-P349 HydrophobicContact CB-CB 4.29Å; L342-L520 HydrophobicContact CD2-CB 4.31Å; L342-L520 HydrophobicContact CD2-CD1 4.27Å; L342-L520 HydrophobicContact CD2-CD2 3.93Å; L342-L520 HydrophobicContact CD2-CG 4.39Å; L342-L520 HydrophobicContact CG-CD2 4.45Å; L342-E524 WeakPolarHBondContact CD2-OE1 3.32Å
343	R	94.7	Very high	94.9	Very high	70 Å²	70	34.3 Å²	34.3	26%	0.264	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.5	163.9	-45.9	-172.2	-167.3	83.6	4.8	107.5	L310 G345 E346 F350	L310-R343 WeakPolarHBondContact O-CA 3.21Å; R343-G345 PolarHBondContact O-N 2.98Å; R343-G345 VanDerWaalsContact O-N 3.1Å; R343-E346 HydrophobicContact CB-CG 4.23Å; R343-E346 VanDerWaalsContact CD-OE1 3.31Å; R343-E346 WeakPolarHBondContact CD-OE1 3.35Å; R343-E346 WeakPolarHBondContact CG-OE2 3.4Å; R343-E346 IonicContact CZ-OE1 2.69Å; R343-E346 IonicContact CZ-OE2 2.68Å; R343-E346 IonicContact NE-OE1 3.52Å; R343-E346 IonicContact NH1-OE1 3.61Å; R343-E346 PolarHBondContact NH1-OE1 3.03Å; R343-E346 IonicContact NH1-OE2 3.56Å; R343-E346 PolarHBondContact NH1-OE2 3.1Å; R343-E346 WeakPolarHBondContact O-CB 3.49Å; R343-E346 PolarHBondContact O-N 2.71Å; R343-F350 HydrophobicContact CG-CD1 3.7Å; R343-F350 HydrophobicContact CG-CE1 3.66Å
344	W	93	Very high	94.9	Very high	78 Å²	78	32.7 Å²	32.7	30%	0.295	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	115.1	-173.6	-174.7	82	0	0	0	110.5	I307 L310 V312 V530	I307-W344 HydrophobicContact CB-CE3 4.2Å; I307-W344 HydrophobicContact CB-CH2 4.16Å; I307-W344 HydrophobicContact CB-CZ3 3.63Å; I307-W344 HydrophobicContact CD1-CH2 3.96Å; I307-W344 HydrophobicContact CD1-CZ2 4.47Å; I307-W344 HydrophobicContact CD1-CZ3 4.31Å; I307-W344 HydrophobicContact CG2-CD2 4.5Å; I307-W344 HydrophobicContact CG2-CE3 3.79Å; I307-W344 HydrophobicContact CG2-CH2 4.39Å; I307-W344 HydrophobicContact CG2-CZ3 3.74Å; L310-W344 HydrophobicContact CB-CB 4.07Å; L310-W344 PolarHBondContact O-N 3.35Å; V312-W344 HydrophobicContact CG2-CB 4.45Å; W344-V530 HydrophobicContact CZ2-CG2 3.68Å
345	G	87.6	Confident	94.9	Very high	72 Å²	72	32.7 Å²	32.7	74%	0.742	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	119.4	-23.2	-173.2	0	0	0	0	0	113.8	R343	R343-G345 PolarHBondContact O-N 2.98Å; R343-G345 VanDerWaalsContact O-N 3.1Å
346	E	91.4	Very high	94.9	Very high	70 Å²	70	32.6 Å²	32.6	33%	0.327	17%	0.174	S	C	.	.			trans	-77	144	169.5	-66.8	171.4	179.6	0	0	110.2	R343 E348	R343-E346 HydrophobicContact CB-CG 4.23Å; R343-E346 VanDerWaalsContact CD-OE1 3.31Å; R343-E346 WeakPolarHBondContact CD-OE1 3.35Å; R343-E346 WeakPolarHBondContact CG-OE2 3.4Å; R343-E346 IonicContact CZ-OE1 2.69Å; R343-E346 IonicContact CZ-OE2 2.68Å; R343-E346 IonicContact NE-OE1 3.52Å; R343-E346 IonicContact NH1-OE1 3.61Å; R343-E346 PolarHBondContact NH1-OE1 3.03Å; R343-E346 IonicContact NH1-OE2 3.56Å; R343-E346 PolarHBondContact NH1-OE2 3.1Å; R343-E346 WeakPolarHBondContact O-CB 3.49Å; R343-E346 PolarHBondContact O-N 2.71Å; E346-E348 VanDerWaalsContact C-N 3.31Å; E346-E348 PolarHBondContact O-N 3.08Å
347	P	88.7	Confident	94.8	Very high	123 Å²	123	33.8 Å²	33.8	80%	0.799	18%	0.18	S	C	*	.	S	Bend	trans	-79	-11.6	-177.9	32.3	-36.2	0	0	0	114
348	E	90.1	Very high	94.7	Very high	135 Å²	135	39.4 Å²	39.4	63%	0.631	20%	0.202	S	C	*	.	S	Bend	trans	-139.6	149.1	-173.1	-65.2	-167.4	99.1	0	0	111.7	E346 F350	E346-E348 VanDerWaalsContact C-N 3.31Å; E346-E348 PolarHBondContact O-N 3.08Å; E348-F350 PolarHBondContact O-N 3.27Å
349	P	93.7	Very high	94.6	Very high	18 Å²	18	42.5 Å²	42.5	12%	0.117	22%	0.222	C	C	.	.			trans	-74.3	118.4	177.6	29.8	-33.6	0	0	0	111.3	L340 G341 L342 L351 Y517	L340-P349 HydrophobicContact CD2-CG 4.32Å; G341-P349 CarbonylContact O-C 3.53Å; G341-P349 VanDerWaalsContact O-CA 3.26Å; G341-P349 WeakPolarHBondContact O-CA 3.5Å; G341-P349 VanDerWaalsContact O-CB 3.26Å; G341-P349 WeakPolarHBondContact O-CB 3.25Å; L342-P349 HydrophobicContact CB-CB 4.29Å; P349-L351 PolarHBondContact O-N 3.17Å; P349-L351 VanDerWaalsContact O-N 3.12Å; P349-Y517 HydrophobicContact CG-CE2 4.3Å
350	F	93.2	Very high	94.6	Very high	29 Å²	29	43.3 Å²	43.3	13%	0.127	23%	0.227	C	C	.	.	S	Bend	trans	-64.4	-12	175.3	76.2	-91.4	0	0	0	113.9	R78 G341 R343 E348 M388	R78-F350 VanDerWaalsContact O-CE2 3.28Å; R78-F350 WeakPolarHBondContact O-CE2 3.44Å; G341-F350 PolarHBondContact O-N 3.06Å; G341-F350 VanDerWaalsContact O-N 3.15Å; R343-F350 HydrophobicContact CG-CD1 3.7Å; R343-F350 HydrophobicContact CG-CE1 3.66Å; E348-F350 PolarHBondContact O-N 3.27Å; F350-M388 HydrophobicContact CE1-CE 4.48Å; F350-M388 HydrophobicContact CZ-CE 4.04Å
351	L	93.6	Very high	94.5	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130	-175.7	174.3	58.3	0	0	0	112.5	L340 G341 P349 L353 F384 M388	L340-L351 WeakPolarHBondContact CA-O 3.31Å; G341-L351 PolarHBondContact N-O 3.37Å; G341-L351 PolarHBondContact O-N 3.45Å; P349-L351 PolarHBondContact O-N 3.17Å; P349-L351 VanDerWaalsContact O-N 3.12Å; L351-L353 HydrophobicContact CD1-CB 4.23Å; L351-F384 HydrophobicContact CD2-CE2 3.56Å; L351-F384 HydrophobicContact CD2-CZ 3.62Å; L351-M388 HydrophobicContact CD2-CG 4.32Å
352	R	95.9	Very high	94.5	Very high	78 Å²	78	49 Å²	49	29%	0.294	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	119.5	164.3	-56.5	179.7	-172.7	-99.8	1.4	109	L340 G365 A366 K367	L340-R352 HydrophobicContact CD2-CG 4.03Å; L340-R352 HydrophobicContact CG-CG 4.19Å; R352-G365 WeakPolarHBondContact CD-O 3.47Å; R352-A366 HydrophobicContact CB-CB 3.87Å; R352-K367 PolarHBondContact O-N 3.5Å
353	L	96.6	Very high	94.6	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.2	-176.8	178.3	61.3	0	0	0	109.7	W79 C338 S339 L351 L355 K367 F384	W79-L353 HydrophobicContact CH2-CD1 4.18Å; W79-L353 HydrophobicContact CH2-CD2 3.83Å; W79-L353 HydrophobicContact CZ2-CD1 3.94Å; W79-L353 HydrophobicContact CZ2-CD2 3.82Å; W79-L353 HydrophobicContact CZ2-CG 4.4Å; C338-L353 WeakPolarHBondContact CA-O 3.48Å; S339-L353 PolarHBondContact N-O 2.89Å; S339-L353 PolarHBondContact O-N 3.08Å; L351-L353 HydrophobicContact CD1-CB 4.23Å; L353-L355 HydrophobicContact CD1-CD2 3.7Å; L353-L355 HydrophobicContact CD2-CD2 4.04Å; L353-L355 HydrophobicContact CD2-CG 4.34Å; L353-L355 HydrophobicContact CG-CD2 3.85Å; L353-L355 HydrophobicContact CG-CG 4.17Å; L353-K367 HydrophobicContact CD1-CB 4.16Å; L353-F384 HydrophobicContact CD2-CD1 4.06Å; L353-F384 HydrophobicContact CD2-CD2 3.82Å; L353-F384 HydrophobicContact CD2-CE1 4.24Å; L353-F384 HydrophobicContact CD2-CE2 4.03Å; L353-F384 HydrophobicContact CD2-CG 3.85Å; L353-F384 HydrophobicContact CD2-CZ 4.24Å
354	A	97.6	Very high	94.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.2	171.8	0	0	0	0	0	109.4	K367 V368 Q369 L513	A354-K367 PolarHBondContact N-O 3.18Å; A354-V368 WeakPolarHBondContact O-CA 3.48Å; A354-Q369 PolarHBondContact O-N 3.46Å; A354-L513 HydrophobicContact CB-CD1 4.2Å; A354-L513 HydrophobicContact CB-CD2 4.47Å; A354-L513 HydrophobicContact CB-CG 4.32Å
355	L	98.1	Very high	94.3	Very high	1 Å²	1	54 Å²	54	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.3	174.8	-51.1	179	0	0	0	108.2	Q336 I337 L353 Q369 Y371 L377 A380 W381	Q336-L355 CarbonylContact C-O 3.53Å; Q336-L355 VanDerWaalsContact CA-O 3.3Å; Q336-L355 WeakPolarHBondContact CA-O 3.35Å; I337-L355 PolarHBondContact N-O 3.12Å; I337-L355 PolarHBondContact O-N 2.69Å; L353-L355 HydrophobicContact CD1-CD2 3.7Å; L353-L355 HydrophobicContact CD2-CD2 4.04Å; L353-L355 HydrophobicContact CD2-CG 4.34Å; L353-L355 HydrophobicContact CG-CD2 3.85Å; L353-L355 HydrophobicContact CG-CG 4.17Å; L355-Q369 CarbonylContact C-O 3.57Å; L355-Q369 WeakPolarHBondContact CA-O 3.21Å; L355-Q369 HydrophobicContact CD2-CB 3.9Å; L355-Q369 HydrophobicContact CD2-CG 4.46Å; L355-Y371 HydrophobicContact CB-CE2 4.36Å; L355-Y371 HydrophobicContact CD2-CE2 4.24Å; L355-L377 HydrophobicContact CB-CD1 3.46Å; L355-L377 VanDerWaalsContact CB-CD1 3.46Å; L355-A380 HydrophobicContact CD1-CB 4.43Å; L355-W381 HydrophobicContact CD1-CB 3.79Å; L355-W381 HydrophobicContact CD1-CG 4.33Å
356	T	98.2	Very high	94.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.5	-176.5	72.7	0	0	0	0	112.3	Q336 R358 C360 V368 Q369 S370 Y371	Q336-T356 HydrophobicContact CG-CG2 4.14Å; T356-R358 PolarHBondContact OG1-O 3.05Å; T356-C360 HydrophobicContact CG2-CB 3.85Å; T356-C360 WeakPolarHBondContact OG1-CB 3.31Å; T356-V368 HydrophobicContact CG2-CG1 4.48Å; T356-Q369 PolarHBondContact N-O 3.46Å; T356-S370 CarbonylContact O-C 3.56Å; T356-S370 VanDerWaalsContact O-CA 3.32Å; T356-S370 WeakPolarHBondContact O-CA 3.15Å; T356-S370 PolarHBondContact OG1-OG 3.05Å; T356-Y371 PolarHBondContact O-N 3.37Å
357	L	96.4	Very high	94.7	Very high	25 Å²	25	51.7 Å²	51.7	13%	0.131	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.4	157.9	-164.4	71.5	0	0	0	108.1	I335 Y371 K373 L377 Q498	I335-L357 HydrophobicContact CB-CB 4.46Å; I335-L357 HydrophobicContact CG2-CD2 4.15Å; I335-L357 WeakPolarHBondContact O-CB 3.41Å; I335-L357 PolarHBondContact O-N 3.02Å; L357-Y371 CarbonylContact C-O 3.6Å; L357-Y371 WeakPolarHBondContact CA-O 3.39Å; L357-K373 WeakPolarHBondContact CD1-O 3.3Å; L357-L377 HydrophobicContact CB-CD2 4.41Å; L357-Q498 PolarHBondContact O-NE2 2.82Å
358	R	95.8	Very high	95	Very high	119 Å²	119	47.5 Å²	47.5	45%	0.449	26%	0.259	S	S	.	.	S	Bend	trans	67.6	158.3	-171.6	-54.4	-74.3	-76.3	151.6	1	114	T356 C360 S370 Y371 E372	T356-R358 PolarHBondContact OG1-O 3.05Å; R358-C360 PolarHBondContact O-N 2.98Å; R358-S370 WeakPolarHBondContact O-CB 3.04Å; R358-S370 PolarHBondContact O-OG 2.92Å; R358-Y371 PolarHBondContact N-O 2.87Å; R358-E372 WeakPolarHBondContact CD-OE2 3.27Å; R358-E372 IonicContact CZ-OE2 2.65Å; R358-E372 IonicContact NE-OE2 3.7Å; R358-E372 IonicContact NH1-OE1 2.73Å; R358-E372 PolarHBondContact NH1-OE1 2.84Å; R358-E372 IonicContact NH1-OE2 3.6Å; R358-E372 PolarHBondContact NH1-OE2 3.22Å
359	P	97.1	Very high	95.3	Very high	64 Å²	64	42.6 Å²	42.6	42%	0.416	24%	0.237	S	C	.	.			trans	-63.3	133.6	-176.6	-23.1	36	0	0	0	112.1	E372 R505	P359-E372 WeakPolarHBondContact CD-OE1 3.41Å; P359-R505 VanDerWaalsContact O-CZ 3.31Å; P359-R505 PolarHBondContact O-NE 2.91Å; P359-R505 PolarHBondContact O-NH2 3.08Å
360	C	96.7	Very high	95.4	Very high	19 Å²	19	44.2 Å²	44.2	13%	0.128	25%	0.248	C	C	.	.			trans	-125.9	142.9	-178.1	-171.9	0	0	0	0	110	T356 R358 V368 S370 R505 R506	T356-C360 HydrophobicContact CG2-CB 3.85Å; T356-C360 WeakPolarHBondContact OG1-CB 3.31Å; R358-C360 PolarHBondContact O-N 2.98Å; C360-V368 HydrophobicContact CB-CG1 3.96Å; C360-S370 PolarHBondContact N-OG 3.03Å; C360-R505 HydrophobicContact CB-CB 4.49Å; C360-R506 VanDerWaalsContact SG-CA 3.56Å; C360-R506 PolarHBondContact SG-N 3.31Å
361	A	96.6	Very high	95.6	Very high	8 Å²	8	44.9 Å²	44.9	7%	0.066	25%	0.25	C	S	.	.			trans	-78.7	151.7	-177.3	0	0	0	0	0	112.9	D502 R506	A361-D502 HydrophobicContact CB-CB 4.24Å; A361-R506 HydrophobicContact CB-CB 4.31Å
362	P	96	Very high	95.7	Very high	111 Å²	111	49.9 Å²	49.9	72%	0.721	27%	0.273	S	S	*	.			trans	-58.7	145.3	-171.1	-27	35.7	0	0	0	115.5	R506	P362-R506 PolarHBondContact O-NE 3.35Å
363	I	95.2	Very high	95.7	Very high	21 Å²	21	51.9 Å²	51.9	11%	0.108	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-119.3	117.4	177.3	-61.2	173.1	0	0	0	108.5	G365 A366 V368 R506 A509 V510 L513	I363-G365 PolarHBondContact O-N 3.1Å; I363-A366 HydrophobicContact CB-CB 4.32Å; I363-A366 HydrophobicContact CG2-CB 4.06Å; I363-A366 PolarHBondContact O-N 3.41Å; I363-A366 VanDerWaalsContact O-N 3.11Å; I363-V368 HydrophobicContact CB-CG2 4.07Å; I363-V368 HydrophobicContact CD1-CG2 4.1Å; I363-V368 HydrophobicContact CG1-CG2 4.03Å; I363-R506 HydrophobicContact CD1-CG 4.31Å; I363-R506 HydrophobicContact CG1-CG 3.85Å; I363-A509 HydrophobicContact CD1-CB 3.72Å; I363-V510 HydrophobicContact CD1-CG2 3.89Å; I363-V510 HydrophobicContact CG1-CG2 4.23Å; I363-V510 HydrophobicContact CG2-CG2 4.27Å; I363-L513 HydrophobicContact CD1-CD1 4.05Å; I363-L513 HydrophobicContact CG2-CD1 4.34Å
364	L	92.5	Very high	95.8	Very high	176 Å²	176	52.4 Å²	52.4	92%	0.921	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	128.3	178.9	-175.5	63.6	0	0	0	110.4
365	G	89.7	Confident	95.8	Very high	61 Å²	61	55.8 Å²	55.8	63%	0.629	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	6.4	-178.9	0	0	0	0	0	116.1	R352 I363	R352-G365 WeakPolarHBondContact CD-O 3.47Å; I363-G365 PolarHBondContact O-N 3.1Å
366	A	93.9	Very high	95.7	Very high	17 Å²	17	58.7 Å²	58.7	14%	0.14	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-134.9	136.6	174.3	0	0	0	0	0	112.1	R352 I363 V368 L513	R352-A366 HydrophobicContact CB-CB 3.87Å; I363-A366 HydrophobicContact CB-CB 4.32Å; I363-A366 HydrophobicContact CG2-CB 4.06Å; I363-A366 PolarHBondContact O-N 3.41Å; I363-A366 VanDerWaalsContact O-N 3.11Å; A366-V368 PolarHBondContact O-N 3.32Å; A366-L513 HydrophobicContact CB-CD1 3.96Å
367	K	93.8	Very high	95.7	Very high	77 Å²	77	58.7 Å²	58.7	34%	0.335	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.8	172.7	-165.6	178.6	-177.2	76	0	108.4	W79 R352 L353 A354	W79-K367 HydrophobicContact CZ2-CD 4.18Å; R352-K367 PolarHBondContact O-N 3.5Å; L353-K367 HydrophobicContact CD1-CB 4.16Å; A354-K367 PolarHBondContact N-O 3.18Å
368	V	95.6	Very high	95.7	Very high	35 Å²	35	57.5 Å²	57.5	21%	0.212	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.1	173.7	-175.9	0	0	0	0	108.4	A354 T356 C360 I363 A366	A354-V368 WeakPolarHBondContact O-CA 3.48Å; T356-V368 HydrophobicContact CG2-CG1 4.48Å; C360-V368 HydrophobicContact CB-CG1 3.96Å; I363-V368 HydrophobicContact CB-CG2 4.07Å; I363-V368 HydrophobicContact CD1-CG2 4.1Å; I363-V368 HydrophobicContact CG1-CG2 4.03Å; A366-V368 PolarHBondContact O-N 3.32Å
369	Q	95.1	Very high	95.8	Very high	33 Å²	33	55 Å²	55	15%	0.154	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.5	172.5	-66.4	178.7	-53.3	0	0	108.9	A354 L355 T356 Y371	A354-Q369 PolarHBondContact O-N 3.46Å; L355-Q369 CarbonylContact C-O 3.57Å; L355-Q369 WeakPolarHBondContact CA-O 3.21Å; L355-Q369 HydrophobicContact CD2-CB 3.9Å; L355-Q369 HydrophobicContact CD2-CG 4.46Å; T356-Q369 PolarHBondContact N-O 3.46Å; Q369-Y371 HydrophobicContact CB-CE2 3.94Å
370	S	96.5	Very high	95.8	Very high	51 Å²	51	52.5 Å²	52.5	36%	0.357	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.4	-174.8	-63.1	0	0	0	0	111.9	T356 R358 C360	T356-S370 CarbonylContact O-C 3.56Å; T356-S370 VanDerWaalsContact O-CA 3.32Å; T356-S370 WeakPolarHBondContact O-CA 3.15Å; T356-S370 PolarHBondContact OG1-OG 3.05Å; R358-S370 WeakPolarHBondContact O-CB 3.04Å; R358-S370 PolarHBondContact O-OG 2.92Å; C360-S370 PolarHBondContact N-OG 3.03Å
371	Y	96.4	Very high	95.8	Very high	44 Å²	44	51.8 Å²	51.8	17%	0.173	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.9	-177.2	-56.9	-87.8	0	0	0	110.5	L355 T356 L357 R358 Q369 D376 L377 A380	L355-Y371 HydrophobicContact CB-CE2 4.36Å; L355-Y371 HydrophobicContact CD2-CE2 4.24Å; T356-Y371 PolarHBondContact O-N 3.37Å; L357-Y371 CarbonylContact C-O 3.6Å; L357-Y371 WeakPolarHBondContact CA-O 3.39Å; R358-Y371 PolarHBondContact N-O 2.87Å; Q369-Y371 HydrophobicContact CB-CE2 3.94Å; Y371-D376 HydrophobicContact CD1-CB 3.85Å; Y371-D376 HydrophobicContact CG-CB 4.36Å; Y371-L377 HydrophobicContact CD2-CB 4.35Å; Y371-L377 HydrophobicContact CD2-CD1 3.86Å; Y371-L377 HydrophobicContact CE2-CD1 4.33Å; Y371-A380 HydrophobicContact CE1-CB 4Å; Y371-A380 HydrophobicContact CE2-CB 4.09Å; Y371-A380 VanDerWaalsContact OH-CB 3.31Å; Y371-A380 WeakPolarHBondContact OH-CB 3.48Å
372	E	96.3	Very high	95.8	Very high	106 Å²	106	51.5 Å²	51.5	50%	0.495	28%	0.282	S	S	.	.	S	Bend	trans	-86.1	-12.6	176.3	-71.2	-59.5	143	0	0	113.5	R358 P359	R358-E372 WeakPolarHBondContact CD-OE2 3.27Å; R358-E372 IonicContact CZ-OE2 2.65Å; R358-E372 IonicContact NE-OE2 3.7Å; R358-E372 IonicContact NH1-OE1 2.73Å; R358-E372 PolarHBondContact NH1-OE1 2.84Å; R358-E372 IonicContact NH1-OE2 3.6Å; R358-E372 PolarHBondContact NH1-OE2 3.22Å; P359-E372 WeakPolarHBondContact CD-OE1 3.41Å
373	K	96.5	Very high	95.7	Very high	121 Å²	121	47.9 Å²	47.9	53%	0.526	26%	0.258	S	S	.	.	S	Bend	trans	-131.2	152.2	179.4	-61.2	179.7	-175.3	167.9	0	112.4	L357 D376 L377	L357-K373 WeakPolarHBondContact CD1-O 3.3Å; K373-D376 WeakPolarHBondContact CB-OD2 3.24Å; K373-D376 PolarHBondContact O-N 3.01Å; K373-L377 PolarHBondContact O-N 3.34Å
374	E	97.1	Very high	95.7	Very high	12 Å²	12	47.1 Å²	47.1	6%	0.056	25%	0.254	C	S	.	.	H	α-helix	trans	-76.3	-30.5	-179.2	-167.5	176.8	176.2	0	0	111.3	P333 V334 D376 L377 L378 R409 L413	P333-E374 WeakPolarHBondContact CA-OE1 3.41Å; P333-E374 VanDerWaalsContact CB-OE2 3.26Å; P333-E374 WeakPolarHBondContact CB-OE2 3.44Å; V334-E374 PolarHBondContact N-OE1 2.9Å; E374-D376 VanDerWaalsContact C-N 3.29Å; E374-D376 PolarHBondContact O-N 3.48Å; E374-L377 WeakPolarHBondContact O-CB 3.33Å; E374-L377 PolarHBondContact O-N 3.44Å; E374-L378 HydrophobicContact CG-CD1 4.27Å; E374-L378 WeakPolarHBondContact O-CB 3.41Å; E374-L378 VanDerWaalsContact O-CG 3.26Å; E374-L378 WeakPolarHBondContact O-CG 3.22Å; E374-L378 PolarHBondContact O-N 2.88Å; E374-R409 VanDerWaalsContact CD-NE 3.28Å; E374-R409 WeakPolarHBondContact OE1-CD 3.49Å; E374-R409 WeakPolarHBondContact OE1-CG 3.42Å; E374-R409 IonicContact OE1-CZ 2.71Å; E374-R409 IonicContact OE1-NE 3.83Å; E374-R409 PolarHBondContact OE1-NE 2.92Å; E374-R409 IonicContact OE1-NH2 3.76Å; E374-R409 IonicContact OE2-CZ 2.79Å; E374-R409 IonicContact OE2-NE 3.32Å; E374-R409 PolarHBondContact OE2-NE 3.38Å; E374-R409 VanDerWaalsContact OE2-NE 3.09Å; E374-R409 IonicContact OE2-NH2 3.44Å; E374-R409 PolarHBondContact OE2-NH2 3.31Å; E374-L413 HydrophobicContact CB-CD1 3.92Å; E374-L413 HydrophobicContact CG-CD1 3.72Å
375	E	97.8	Very high	95.9	Very high	70 Å²	70	38.9 Å²	38.9	33%	0.327	21%	0.21	S	C	.	.	H	α-helix	trans	-61.7	-36.6	173.5	-57.3	96.6	124.4	0	0	112.3	Q379 L413 V415	E375-Q379 WeakPolarHBondContact O-CB 3.29Å; E375-Q379 VanDerWaalsContact O-CG 3.24Å; E375-Q379 WeakPolarHBondContact O-CG 3.15Å; E375-Q379 PolarHBondContact O-N 3.36Å; E375-Q379 VanDerWaalsContact O-N 3.14Å; E375-Q379 PolarHBondContact O-NE2 3.39Å; E375-L413 HydrophobicContact CG-CB 4.28Å; E375-V415 HydrophobicContact CB-CG2 3.89Å; E375-V415 HydrophobicContact CG-CG2 3.77Å
376	D	97.1	Very high	96.1	Very high	63 Å²	63	40.1 Å²	40.1	34%	0.337	20%	0.196	S	C	.	.	H	α-helix	trans	-75.7	-41.9	178.8	-56.3	-28.3	0	0	0	110.4	Y371 K373 E374 L378 Q379 A380	Y371-D376 HydrophobicContact CD1-CB 3.85Å; Y371-D376 HydrophobicContact CG-CB 4.36Å; K373-D376 WeakPolarHBondContact CB-OD2 3.24Å; K373-D376 PolarHBondContact O-N 3.01Å; E374-D376 VanDerWaalsContact C-N 3.29Å; E374-D376 PolarHBondContact O-N 3.48Å; D376-L378 PolarHBondContact O-N 3.14Å; D376-Q379 PolarHBondContact O-N 3Å; D376-A380 WeakPolarHBondContact O-CB 3.41Å; D376-A380 PolarHBondContact O-N 3.1Å
377	L	97.3	Very high	96.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.3	-47.4	173.8	179.5	67.7	0	0	0	112.2	V334 I337 L355 L357 Y371 K373 E374 A380 W381	V334-L377 HydrophobicContact CG1-CD2 4.48Å; I337-L377 HydrophobicContact CD1-CG 4.37Å; L355-L377 HydrophobicContact CB-CD1 3.46Å; L355-L377 VanDerWaalsContact CB-CD1 3.46Å; L357-L377 HydrophobicContact CB-CD2 4.41Å; Y371-L377 HydrophobicContact CD2-CB 4.35Å; Y371-L377 HydrophobicContact CD2-CD1 3.86Å; Y371-L377 HydrophobicContact CE2-CD1 4.33Å; K373-L377 PolarHBondContact O-N 3.34Å; E374-L377 WeakPolarHBondContact O-CB 3.33Å; E374-L377 PolarHBondContact O-N 3.44Å; L377-A380 PolarHBondContact O-N 3.34Å; L377-W381 PolarHBondContact O-N 3.04Å; L377-W381 VanDerWaalsContact O-N 3.08Å
378	L	97.9	Very high	96.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-40.7	178.4	-70.4	169.4	0	0	0	111.8	E374 D376 W381 S382 L406 A410 L413 F418	E374-L378 HydrophobicContact CG-CD1 4.27Å; E374-L378 WeakPolarHBondContact O-CB 3.41Å; E374-L378 VanDerWaalsContact O-CG 3.26Å; E374-L378 WeakPolarHBondContact O-CG 3.22Å; E374-L378 PolarHBondContact O-N 2.88Å; D376-L378 PolarHBondContact O-N 3.14Å; L378-W381 PolarHBondContact O-N 3.23Å; L378-S382 WeakPolarHBondContact O-CB 3.33Å; L378-S382 PolarHBondContact O-N 3.09Å; L378-S382 PolarHBondContact O-OG 2.71Å; L378-L406 HydrophobicContact CD2-CD2 3.66Å; L378-A410 HydrophobicContact CD1-CB 4.3Å; L378-L413 HydrophobicContact CD1-CD1 3.9Å; L378-F418 HydrophobicContact CB-CD2 3.73Å; L378-F418 HydrophobicContact CB-CE2 3.95Å; L378-F418 HydrophobicContact CD2-CD2 4.19Å; L378-F418 HydrophobicContact CD2-CE2 3.68Å; L378-F418 HydrophobicContact CD2-CZ 4.02Å; L378-F418 HydrophobicContact CG-CE2 4.42Å; L378-F418 VanDerWaalsContact O-CD2 3.3Å; L378-F418 WeakPolarHBondContact O-CD2 3.48Å; L378-F418 WeakPolarHBondContact O-CE2 3.3Å
379	Q	96.8	Very high	96.3	Very high	67 Å²	67	36.7 Å²	36.7	31%	0.313	18%	0.177	S	C	.	.	H	α-helix	trans	-67.7	-37.8	176.5	-76	176.3	97.9	0	0	112.4	E375 D376 S382 T383 V415	E375-Q379 WeakPolarHBondContact O-CB 3.29Å; E375-Q379 VanDerWaalsContact O-CG 3.24Å; E375-Q379 WeakPolarHBondContact O-CG 3.15Å; E375-Q379 PolarHBondContact O-N 3.36Å; E375-Q379 VanDerWaalsContact O-N 3.14Å; E375-Q379 PolarHBondContact O-NE2 3.39Å; D376-Q379 PolarHBondContact O-N 3Å; Q379-S382 WeakPolarHBondContact CA-OG 3.41Å; Q379-S382 PolarHBondContact O-OG 3.32Å; Q379-T383 WeakPolarHBondContact O-CB 3.37Å; Q379-T383 PolarHBondContact O-N 3.35Å; Q379-T383 PolarHBondContact O-OG1 2.88Å; Q379-V415 HydrophobicContact CG-CG1 3.72Å
380	A	96.2	Very high	96.4	Very high	10 Å²	10	35.1 Å²	35.1	8%	0.083	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-50	173.1	0	0	0	0	0	111.3	L355 Y371 D376 L377 T383 F384	L355-A380 HydrophobicContact CD1-CB 4.43Å; Y371-A380 HydrophobicContact CE1-CB 4Å; Y371-A380 HydrophobicContact CE2-CB 4.09Å; Y371-A380 VanDerWaalsContact OH-CB 3.31Å; Y371-A380 WeakPolarHBondContact OH-CB 3.48Å; D376-A380 WeakPolarHBondContact O-CB 3.41Å; D376-A380 PolarHBondContact O-N 3.1Å; L377-A380 PolarHBondContact O-N 3.34Å; A380-T383 PolarHBondContact O-N 2.88Å; A380-F384 WeakPolarHBondContact O-CB 3.26Å; A380-F384 PolarHBondContact O-N 3.34Å
381	W	97.6	Very high	96.5	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.015	15%	0.153	C	C	.	.	H	α-helix	trans	-64.9	-44.3	-179.6	-170.7	76	0	0	0	113.4	F315 I337 S339 L355 L377 L378 T383 F384 I385 L403 L406 F418 L421	F315-W381 HydrophobicContact CB-CZ2 4.5Å; F315-W381 HydrophobicContact CD1-CZ2 4.2Å; F315-W381 HydrophobicContact CD2-CH2 4.38Å; F315-W381 AromaticContact CD2-CZ2 3.71Å; F315-W381 HydrophobicContact CD2-CZ2 3.71Å; F315-W381 HydrophobicContact CE1-CZ2 4.39Å; F315-W381 HydrophobicContact CE2-CH2 4.12Å; F315-W381 AromaticContact CE2-CZ2 3.91Å; F315-W381 HydrophobicContact CE2-CZ2 3.91Å; F315-W381 AromaticContact CG-CZ2 3.87Å; F315-W381 HydrophobicContact CG-CZ2 3.87Å; F315-W381 HydrophobicContact CZ-CH2 4.22Å; F315-W381 HydrophobicContact CZ-CZ2 4.26Å; I337-W381 HydrophobicContact CD1-CB 4.1Å; I337-W381 HydrophobicContact CD1-CG 4.14Å; I337-W381 VanDerWaalsContact CG2-CD1 3.47Å; I337-W381 HydrophobicContact CG2-CD2 4.37Å; I337-W381 HydrophobicContact CG2-CG 4.03Å; S339-W381 PolarHBondContact OG-NE1 3.37Å; L355-W381 HydrophobicContact CD1-CB 3.79Å; L355-W381 HydrophobicContact CD1-CG 4.33Å; L377-W381 PolarHBondContact O-N 3.04Å; L377-W381 VanDerWaalsContact O-N 3.08Å; L378-W381 PolarHBondContact O-N 3.23Å; W381-T383 PolarHBondContact O-N 3.2Å; W381-F384 WeakPolarHBondContact O-CB 3.33Å; W381-F384 PolarHBondContact O-N 3.46Å; W381-I385 HydrophobicContact CZ2-CD1 4.3Å; W381-I385 PolarHBondContact O-N 2.64Å; W381-L403 HydrophobicContact CH2-CD2 4.21Å; W381-L406 HydrophobicContact CH2-CD1 4.07Å; W381-L406 HydrophobicContact CZ3-CD1 3.98Å; W381-F418 AromaticContact CE3-CE2 3.91Å; W381-F418 HydrophobicContact CE3-CE2 3.91Å; W381-F418 AromaticContact CE3-CZ 3.89Å; W381-F418 HydrophobicContact CE3-CZ 3.89Å; W381-F418 HydrophobicContact CZ3-CE2 4.41Å; W381-F418 AromaticContact CZ3-CZ 3.95Å; W381-F418 HydrophobicContact CZ3-CZ 3.95Å; W381-L421 HydrophobicContact CZ3-CD1 4.42Å; W381-L421 HydrophobicContact CZ3-CD2 4.33Å
382	S	95.8	Very high	96.6	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-68.7	-17.9	175.7	57.8	0	0	0	0	113.7	L378 Q379 R386	L378-S382 WeakPolarHBondContact O-CB 3.33Å; L378-S382 PolarHBondContact O-N 3.09Å; L378-S382 PolarHBondContact O-OG 2.71Å; Q379-S382 WeakPolarHBondContact CA-OG 3.41Å; Q379-S382 PolarHBondContact O-OG 3.32Å; S382-R386 PolarHBondContact O-NH1 3.17Å
383	T	95.1	Very high	96.7	Very high	35 Å²	35	25.8 Å²	25.8	22%	0.215	12%	0.123	C	C	.	.	H	α-helix	trans	-85.6	-41.8	170.5	-62	0	0	0	0	111.4	Q379 A380 W381 I385 R386 I387	Q379-T383 WeakPolarHBondContact O-CB 3.37Å; Q379-T383 PolarHBondContact O-N 3.35Å; Q379-T383 PolarHBondContact O-OG1 2.88Å; A380-T383 PolarHBondContact O-N 2.88Å; W381-T383 PolarHBondContact O-N 3.2Å; T383-I385 PolarHBondContact O-N 3.06Å; T383-R386 PolarHBondContact O-N 3.44Å; T383-R386 PolarHBondContact OG1-NH2 2.93Å; T383-I387 HydrophobicContact CG2-CD1 3.82Å; T383-I387 WeakPolarHBondContact O-CG1 3.46Å; T383-I387 PolarHBondContact O-N 3.48Å
384	F	95.8	Very high	96.8	Very high	5 Å²	5	20 Å²	20	2%	0.022	10%	0.098	C	C	.	.	H	α-helix	trans	-54.4	-48.6	170.9	160.3	-110.2	0	0	0	112.1	W79 L313 L351 L353 A380 W381 R386 I387 M388	W79-F384 HydrophobicContact CD2-CD2 4.02Å; W79-F384 HydrophobicContact CD2-CE2 4.17Å; W79-F384 AromaticContact CE3-CD2 3.71Å; W79-F384 HydrophobicContact CE3-CD2 3.71Å; W79-F384 HydrophobicContact CE3-CE2 4.32Å; W79-F384 HydrophobicContact CH2-CD2 4.17Å; W79-F384 HydrophobicContact CZ2-CD2 4.46Å; W79-F384 HydrophobicContact CZ3-CB 4.45Å; W79-F384 AromaticContact CZ3-CD2 3.79Å; W79-F384 HydrophobicContact CZ3-CD2 3.79Å; L313-F384 HydrophobicContact CD1-CE1 4.16Å; L313-F384 HydrophobicContact CD1-CZ 3.89Å; L313-F384 HydrophobicContact CD2-CE1 4.26Å; L351-F384 HydrophobicContact CD2-CE2 3.56Å; L351-F384 HydrophobicContact CD2-CZ 3.62Å; L353-F384 HydrophobicContact CD2-CD1 4.06Å; L353-F384 HydrophobicContact CD2-CD2 3.82Å; L353-F384 HydrophobicContact CD2-CE1 4.24Å; L353-F384 HydrophobicContact CD2-CE2 4.03Å; L353-F384 HydrophobicContact CD2-CG 3.85Å; L353-F384 HydrophobicContact CD2-CZ 4.24Å; A380-F384 WeakPolarHBondContact O-CB 3.26Å; A380-F384 PolarHBondContact O-N 3.34Å; W381-F384 WeakPolarHBondContact O-CB 3.33Å; W381-F384 PolarHBondContact O-N 3.46Å; F384-R386 PolarHBondContact O-N 2.92Å; F384-I387 PolarHBondContact O-N 2.86Å; F384-I387 VanDerWaalsContact O-N 3.15Å; F384-M388 HydrophobicContact CD2-CB 4.2Å; F384-M388 HydrophobicContact CE2-CB 3.68Å; F384-M388 HydrophobicContact CE2-CG 3.95Å; F384-M388 HydrophobicContact CZ-CB 4.11Å; F384-M388 HydrophobicContact CZ-CG 4.12Å; F384-M388 WeakPolarHBondContact O-CB 3.28Å; F384-M388 PolarHBondContact O-N 2.67Å
385	I	95.6	Very high	96.8	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-60.6	-32.3	-178.9	-146.9	75.4	0	0	0	112.4	L313 W381 T383 D389 P390 L421	L313-I385 HydrophobicContact CD2-CD1 3.26Å; W381-I385 HydrophobicContact CZ2-CD1 4.3Å; W381-I385 PolarHBondContact O-N 2.64Å; T383-I385 PolarHBondContact O-N 3.06Å; I385-D389 PolarHBondContact O-N 3.34Å; I385-D389 VanDerWaalsContact O-N 3.14Å; I385-P390 HydrophobicContact CD1-CG 4Å; I385-P390 HydrophobicContact CG1-CG 4.11Å; I385-P390 VanDerWaalsContact O-CD 3.27Å; I385-P390 WeakPolarHBondContact O-CD 3.48Å; I385-L421 HydrophobicContact CG2-CD2 3.82Å
386	R	94.1	Very high	96.7	Very high	87 Å²	87	17.4 Å²	17.4	33%	0.328	9%	0.085	S	C	.	.	H	α-helix	trans	-77.6	-34.2	179.5	177.3	166	62.5	-98.8	-5.3	112.4	S382 T383 F384	S382-R386 PolarHBondContact O-NH1 3.17Å; T383-R386 PolarHBondContact O-N 3.44Å; T383-R386 PolarHBondContact OG1-NH2 2.93Å; F384-R386 PolarHBondContact O-N 2.92Å
387	I	94.1	Very high	96.6	Very high	47 Å²	47	16.8 Å²	16.8	24%	0.241	8%	0.081	C	C	.	.	H	α-helix	trans	-78	-43	177.1	-66.6	167.3	0	0	0	111.4	I75 W79 L80 T383 F384 D389	I75-I387 HydrophobicContact CD1-CD1 4.09Å; I75-I387 HydrophobicContact CG1-CD1 4.42Å; I75-I387 HydrophobicContact CG2-CG2 4.11Å; W79-I387 HydrophobicContact CB-CG2 4.4Å; L80-I387 HydrophobicContact CG-CG2 4.26Å; T383-I387 HydrophobicContact CG2-CD1 3.82Å; T383-I387 WeakPolarHBondContact O-CG1 3.46Å; T383-I387 PolarHBondContact O-N 3.48Å; F384-I387 PolarHBondContact O-N 2.86Å; F384-I387 VanDerWaalsContact O-N 3.15Å; I387-D389 VanDerWaalsContact C-N 3.33Å
388	M	95.5	Very high	96.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-72.2	-29.7	-179.9	-172.5	-84	-171.9	0	0	112.3	W79 R311 L313 F350 L351 F384 P390	W79-M388 WeakPolarHBondContact O-CA 3.31Å; R311-M388 HydrophobicContact CB-CE 4.23Å; R311-M388 WeakPolarHBondContact CD-O 3.42Å; R311-M388 PolarHBondContact NH1-O 2.87Å; L313-M388 HydrophobicContact CB-CE 4.41Å; L313-M388 HydrophobicContact CD1-CE 3.98Å; L313-M388 HydrophobicContact CD1-SD 4.41Å; F350-M388 HydrophobicContact CE1-CE 4.48Å; F350-M388 HydrophobicContact CZ-CE 4.04Å; L351-M388 HydrophobicContact CD2-CG 4.32Å; F384-M388 HydrophobicContact CD2-CB 4.2Å; F384-M388 HydrophobicContact CE2-CB 3.68Å; F384-M388 HydrophobicContact CE2-CG 3.95Å; F384-M388 HydrophobicContact CZ-CB 4.11Å; F384-M388 HydrophobicContact CZ-CG 4.12Å; F384-M388 WeakPolarHBondContact O-CB 3.28Å; F384-M388 PolarHBondContact O-N 2.67Å; M388-P390 HydrophobicContact CE-CB 4.48Å; M388-P390 HydrophobicContact SD-CB 3.72Å; M388-P390 HydrophobicContact SD-CG 4.11Å
389	D	97.4	Very high	96.4	Very high	10 Å²	10	18.1 Å²	18.1	5%	0.053	9%	0.087	C	C	.	.			trans	49.8	62.1	176.9	-174.2	47.4	0	0	0	113.8	R81 S136 I385 I387 R423 R454	R81-D389 IonicContact CZ-OD2 3.72Å; R81-D389 IonicContact NE-OD2 2.8Å; R81-D389 PolarHBondContact NE-OD2 2.86Å; R81-D389 VanDerWaalsContact NE-OD2 3.1Å; R81-D389 PolarHBondContact NH2-O 2.88Å; R81-D389 IonicContact NH2-OD2 3.69Å; S136-D389 VanDerWaalsContact CB-OD2 3.23Å; S136-D389 WeakPolarHBondContact CB-OD2 3.16Å; S136-D389 PolarHBondContact OG-OD2 2.98Å; I385-D389 PolarHBondContact O-N 3.34Å; I385-D389 VanDerWaalsContact O-N 3.14Å; I387-D389 VanDerWaalsContact C-N 3.33Å; D389-R423 VanDerWaalsContact CG-NH2 3.29Å; D389-R423 PolarHBondContact O-NH2 3.36Å; D389-R423 IonicContact OD1-CZ 2.82Å; D389-R423 IonicContact OD1-NE 2.74Å; D389-R423 PolarHBondContact OD1-NE 2.82Å; D389-R423 IonicContact OD1-NH2 3.52Å; D389-R423 PolarHBondContact OD1-NH2 2.79Å; D389-R423 IonicContact OD2-CZ 3.7Å; D389-R423 IonicContact OD2-NE 3.53Å; D389-R423 PolarHBondContact OD2-NE 3.45Å; D389-R423 IonicContact OD2-NH2 3.55Å; D389-R423 PolarHBondContact OD2-NH2 3.5Å; D389-R454 IonicContact OD1-CZ 2.69Å; D389-R454 IonicContact OD1-NH1 3.66Å; D389-R454 PolarHBondContact OD1-NH1 3.04Å; D389-R454 IonicContact OD1-NH2 3.47Å; D389-R454 PolarHBondContact OD1-NH2 3.2Å
390	P	97.9	Very high	96.1	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.			trans	-67.1	144.1	-179.1	27.8	-33.4	0	0	0	112.2	L313 I385 M388 I393 R454	L313-P390 HydrophobicContact CB-CB 3.88Å; L313-P390 HydrophobicContact CB-CG 4.39Å; L313-P390 HydrophobicContact CD2-CG 4.4Å; I385-P390 HydrophobicContact CD1-CG 4Å; I385-P390 HydrophobicContact CG1-CG 4.11Å; I385-P390 VanDerWaalsContact O-CD 3.27Å; I385-P390 WeakPolarHBondContact O-CD 3.48Å; M388-P390 HydrophobicContact CE-CB 4.48Å; M388-P390 HydrophobicContact SD-CB 3.72Å; M388-P390 HydrophobicContact SD-CG 4.11Å; P390-I393 HydrophobicContact CB-CG1 4.45Å; P390-I393 HydrophobicContact CG-CD1 4.4Å; P390-I393 HydrophobicContact CG-CG1 4.15Å; P390-R454 PolarHBondContact O-NH1 2.93Å
391	D	98.3	Very high	96	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-86.1	-39.7	175.5	-63.1	-54.6	0	0	0	111.6	R81 L99 R311 R423 V455	R81-D391 IonicContact CZ-OD2 3.33Å; R81-D391 IonicContact NH1-OD2 2.7Å; R81-D391 IonicContact NH2-OD1 3.78Å; R81-D391 PolarHBondContact NH2-OD1 3.08Å; R81-D391 VanDerWaalsContact NH2-OD1 3.09Å; R81-D391 IonicContact NH2-OD2 2.66Å; R81-D391 PolarHBondContact NH2-OD2 2.82Å; L99-D391 HydrophobicContact CD1-CB 3.71Å; R311-D391 PolarHBondContact N-OD2 3.31Å; R311-D391 PolarHBondContact O-N 3.35Å; D391-R423 IonicContact OD1-CZ 3.55Å; D391-R423 IonicContact OD1-NH1 3.03Å; D391-R423 PolarHBondContact OD1-NH1 3.17Å; D391-R423 IonicContact OD1-NH2 2.66Å; D391-R423 PolarHBondContact OD1-NH2 3.01Å; D391-V455 PolarHBondContact O-N 3.29Å
392	V	98.3	Very high	95.9	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.7	178.1	-176.4	0	0	0	0	109.6	R311 V312 L313 V455 M457 L529	R311-V392 PolarHBondContact O-N 3.24Å; V312-V392 WeakPolarHBondContact CA-O 3.4Å; V312-V392 HydrophobicContact CG1-CB 4.27Å; V312-V392 HydrophobicContact CG1-CG1 4.3Å; V312-V392 HydrophobicContact CG2-CB 4.25Å; L313-V392 PolarHBondContact N-O 3.14Å; V392-V455 CarbonylContact C-O 3.54Å; V392-V455 VanDerWaalsContact CA-O 3.3Å; V392-V455 WeakPolarHBondContact CA-O 3.49Å; V392-V455 HydrophobicContact CG2-CB 4.49Å; V392-M457 HydrophobicContact CG1-CB 4.15Å; V392-M457 HydrophobicContact CG1-CG 3.81Å; V392-M457 HydrophobicContact CG1-SD 3.95Å; V392-L529 HydrophobicContact CG2-CD1 4.32Å
393	I	98.4	Very high	96	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.021	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121	170.8	-58.4	177	0	0	0	108	L313 F315 P390 I398 R454 V455 Q456 M457	L313-I393 WeakPolarHBondContact O-CA 3.41Å; F315-I393 HydrophobicContact CD1-CG2 4.06Å; F315-I393 HydrophobicContact CE1-CG2 3.88Å; P390-I393 HydrophobicContact CB-CG1 4.45Å; P390-I393 HydrophobicContact CG-CD1 4.4Å; P390-I393 HydrophobicContact CG-CG1 4.15Å; I393-I398 HydrophobicContact CG2-CD1 4.19Å; I393-R454 HydrophobicContact CD1-CB 4.49Å; I393-V455 PolarHBondContact N-O 3.2Å; I393-Q456 CarbonylContact O-C 3.57Å; I393-Q456 WeakPolarHBondContact O-CA 3.46Å; I393-M457 PolarHBondContact O-N 3.3Å
394	T	98.4	Very high	96.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	-179	175.6	-165.9	0	0	0	0	110.5	V312 L313 S314 M457 L520	V312-T394 HydrophobicContact CG1-CG2 4.01Å; L313-T394 PolarHBondContact O-N 3Å; S314-T394 WeakPolarHBondContact CA-O 3.34Å; T394-M457 WeakPolarHBondContact CA-O 3.43Å; T394-M457 WeakPolarHBondContact CB-O 3.42Å; T394-M457 PolarHBondContact OG1-O 3.03Å; T394-L520 HydrophobicContact CG2-CD2 3.75Å
395	G	97.5	Very high	96.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.6	-168.2	-168	0	0	0	0	0	109.7	M459	G395-M459 WeakPolarHBondContact O-CB 3.35Å; G395-M459 PolarHBondContact O-N 3.37Å
396	Y	96.8	Very high	96.3	Very high	28 Å²	28	17.5 Å²	17.5	11%	0.11	8%	0.081	C	C	.	.	S	Bend	trans	-129.4	110.6	-178.7	-152	-94.5	0	0	0	111	I398 M459 L460 L463 Y472 L474 V477	Y396-I398 VanDerWaalsContact C-N 3.26Å; Y396-I398 PolarHBondContact O-N 3.33Å; Y396-M459 HydrophobicContact CD2-CB 3.98Å; Y396-M459 HydrophobicContact CE2-CB 4.39Å; Y396-L460 HydrophobicContact CD1-CB 4.16Å; Y396-L460 HydrophobicContact CD2-CB 4.41Å; Y396-L460 HydrophobicContact CE1-CB 3.97Å; Y396-L460 HydrophobicContact CE1-CD1 3.89Å; Y396-L460 HydrophobicContact CE1-CG 4.34Å; Y396-L460 HydrophobicContact CE2-CB 4.23Å; Y396-L460 HydrophobicContact CG-CB 4.38Å; Y396-L463 HydrophobicContact CE2-CD1 4.06Å; Y396-Y472 WeakPolarHBondContact CE1-O 3.44Å; Y396-Y472 PolarHBondContact OH-O 3.39Å; Y396-L474 HydrophobicContact CD1-CB 4.19Å; Y396-L474 HydrophobicContact CD2-CD1 3.83Å; Y396-L474 HydrophobicContact CE1-CB 4.28Å; Y396-L474 HydrophobicContact CE2-CD1 4.17Å; Y396-L474 HydrophobicContact CG-CB 4.5Å; Y396-L474 HydrophobicContact CG-CD1 4.03Å; Y396-V477 HydrophobicContact CE2-CG2 3.95Å
397	N	94.8	Very high	96.5	Very high	49 Å²	49	13.4 Å²	13.4	26%	0.262	7%	0.066	S	C	.	.	S	Bend	trans	70.3	10.3	-174.5	-159.8	42.3	0	0	0	116.2	Q399 N400 F401 D458 L460	N397-Q399 PolarHBondContact O-N 2.95Å; N397-N400 PolarHBondContact O-N 2.91Å; N397-N400 WeakPolarHBondContact OD1-CB 3.43Å; N397-N400 PolarHBondContact OD1-ND2 2.96Å; N397-F401 PolarHBondContact O-N 3.46Å; N397-D458 WeakPolarHBondContact CA-OD2 3.31Å; N397-D458 PolarHBondContact N-OD1 3.2Å; N397-D458 PolarHBondContact N-OD2 3.01Å; N397-L460 HydrophobicContact CB-CD2 3.72Å; N397-L460 WeakPolarHBondContact OD1-CD2 3.3Å
398	I	96.8	Very high	96.6	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-25.1	177.5	58.6	166.9	0	0	0	114.8	F315 I393 Y396 D402 L403 D458	F315-I398 HydrophobicContact CD1-CG2 4.48Å; F315-I398 HydrophobicContact CE1-CB 4.23Å; F315-I398 HydrophobicContact CE1-CD1 4.34Å; F315-I398 HydrophobicContact CE1-CG2 3.84Å; F315-I398 HydrophobicContact CZ-CB 4.23Å; F315-I398 HydrophobicContact CZ-CG2 3.91Å; I393-I398 HydrophobicContact CG2-CD1 4.19Å; Y396-I398 VanDerWaalsContact C-N 3.26Å; Y396-I398 PolarHBondContact O-N 3.33Å; I398-D402 VanDerWaalsContact CA-OD2 3.25Å; I398-D402 WeakPolarHBondContact CA-OD2 3.43Å; I398-D402 HydrophobicContact CB-CB 4.36Å; I398-D402 HydrophobicContact CG2-CB 4.21Å; I398-D402 PolarHBondContact N-OD2 3.3Å; I398-L403 WeakPolarHBondContact O-CB 3.46Å; I398-L403 WeakPolarHBondContact O-CG 3.5Å; I398-L403 PolarHBondContact O-N 2.99Å; I398-D458 HydrophobicContact CG1-CB 4.05Å; I398-D458 PolarHBondContact N-OD2 3.09Å
399	Q	92.9	Very high	96.7	Very high	28 Å²	28	13.6 Å²	13.6	13%	0.131	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-33.9	177.9	-73.1	-169.4	-33.5	0	0	113.5	N397 P404 K447 D458	N397-Q399 PolarHBondContact O-N 2.95Å; Q399-P404 WeakPolarHBondContact O-CD 3.32Å; Q399-P404 WeakPolarHBondContact O-CG 3.28Å; Q399-K447 WeakPolarHBondContact O-CB 3.47Å; Q399-D458 HydrophobicContact CG-CB 4.05Å; Q399-D458 PolarHBondContact N-OD2 3.46Å; Q399-D458 VanDerWaalsContact N-OD2 3.1Å
400	N	91.4	Very high	96.7	Very high	42 Å²	42	13.2 Å²	13.2	23%	0.225	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-30.2	-175.1	-56.4	-60.3	0	0	0	113.6	N397 T446 K447	N397-N400 PolarHBondContact O-N 2.91Å; N397-N400 WeakPolarHBondContact OD1-CB 3.43Å; N397-N400 PolarHBondContact OD1-ND2 2.96Å; N400-T446 WeakPolarHBondContact OD1-CA 3.46Å; N400-K447 PolarHBondContact OD1-N 3.49Å; N400-K447 VanDerWaalsContact OD1-N 3.09Å
401	F	92.7	Very high	96.7	Very high	48 Å²	48	19.3 Å²	19.3	21%	0.211	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-76.6	179.3	-174.2	-112.9	0	0	0	111.3	I317 F326 N397 P404 Y405	I317-F401 HydrophobicContact CD1-CE1 4.36Å; I317-F401 HydrophobicContact CG1-CE1 4.2Å; F326-F401 HydrophobicContact CE1-CD2 4.1Å; F326-F401 AromaticContact CE1-CE2 3.67Å; F326-F401 HydrophobicContact CE1-CE2 3.67Å; F326-F401 AromaticContact CZ-CD2 3.99Å; F326-F401 HydrophobicContact CZ-CD2 3.99Å; F326-F401 AromaticContact CZ-CE2 3.64Å; F326-F401 HydrophobicContact CZ-CE2 3.64Å; F326-F401 HydrophobicContact CZ-CZ 4.41Å; N397-F401 PolarHBondContact O-N 3.46Å; F401-P404 VanDerWaalsContact O-CD 3.3Å; F401-P404 WeakPolarHBondContact O-CD 3.26Å; F401-Y405 HydrophobicContact CD2-CD2 4.39Å; F401-Y405 AromaticContact CE2-CD2 3.76Å; F401-Y405 HydrophobicContact CE2-CD2 3.76Å; F401-Y405 HydrophobicContact CE2-CE2 4.24Å; F401-Y405 HydrophobicContact CZ-CD2 4.12Å; F401-Y405 HydrophobicContact CZ-CE2 4.49Å; F401-Y405 VanDerWaalsContact O-CB 3.27Å; F401-Y405 WeakPolarHBondContact O-CB 3.26Å; F401-Y405 PolarHBondContact O-N 3.04Å
402	D	97.3	Very high	96.6	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.032	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-56.2	-158.5	-50.2	-100	0	0	0	114.4	F315 I317 I398 Y405 L406	F315-D402 HydrophobicContact CE2-CB 3.91Å; F315-D402 HydrophobicContact CZ-CB 4.02Å; I317-D402 HydrophobicContact CD1-CB 4.21Å; I398-D402 VanDerWaalsContact CA-OD2 3.25Å; I398-D402 WeakPolarHBondContact CA-OD2 3.43Å; I398-D402 HydrophobicContact CB-CB 4.36Å; I398-D402 HydrophobicContact CG2-CB 4.21Å; I398-D402 PolarHBondContact N-OD2 3.3Å; D402-Y405 PolarHBondContact O-N 3.03Å; D402-L406 WeakPolarHBondContact O-CB 3.49Å; D402-L406 VanDerWaalsContact O-CG 3.32Å; D402-L406 WeakPolarHBondContact O-CG 3.43Å; D402-L406 PolarHBondContact O-N 3.37Å
403	L	97.6	Very high	96.6	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-64.2	-43.3	-179.5	-63.5	172.8	0	0	0	112.1	F315 W381 I398 I407 V449 M451	F315-L403 HydrophobicContact CE1-CD2 4.14Å; F315-L403 HydrophobicContact CE1-CG 4.49Å; F315-L403 HydrophobicContact CZ-CD2 3.59Å; F315-L403 HydrophobicContact CZ-CG 3.94Å; W381-L403 HydrophobicContact CH2-CD2 4.21Å; I398-L403 WeakPolarHBondContact O-CB 3.46Å; I398-L403 WeakPolarHBondContact O-CG 3.5Å; I398-L403 PolarHBondContact O-N 2.99Å; L403-I407 WeakPolarHBondContact O-CB 3.43Å; L403-I407 VanDerWaalsContact O-CG1 3.31Å; L403-I407 WeakPolarHBondContact O-CG1 3.48Å; L403-I407 PolarHBondContact O-N 3.28Å; L403-I407 VanDerWaalsContact O-N 3.11Å; L403-V449 HydrophobicContact CB-CB 4.47Å; L403-V449 HydrophobicContact CB-CG2 3.92Å; L403-M451 HydrophobicContact CD1-CE 4.32Å; L403-M451 HydrophobicContact CD2-CE 4.05Å
404	P	96.7	Very high	96.5	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.032	16%	0.159	C	C	.	.	H	α-helix	trans	-58	-42.4	169.1	-27.8	35.8	0	0	0	114.3	Q399 F401 I407 S408 I431 K447	Q399-P404 WeakPolarHBondContact O-CD 3.32Å; Q399-P404 WeakPolarHBondContact O-CG 3.28Å; F401-P404 VanDerWaalsContact O-CD 3.3Å; F401-P404 WeakPolarHBondContact O-CD 3.26Å; P404-I407 PolarHBondContact O-N 3.28Å; P404-S408 PolarHBondContact O-N 3.01Å; P404-S408 PolarHBondContact O-OG 3.45Å; P404-I431 HydrophobicContact CB-CD1 4.04Å; P404-K447 HydrophobicContact CB-CD 3.93Å; P404-K447 HydrophobicContact CG-CB 4.16Å; P404-K447 HydrophobicContact CG-CD 3.64Å
405	Y	97.1	Very high	96.5	Very high	8 Å²	8	33 Å²	33	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-51.6	-178.5	-160	-76.7	0	0	0	110.7	I317 C319 P327 E328 P329 D332 V334 F401 D402 I407 S408 R409	I317-Y405 HydrophobicContact CD1-CD1 4.33Å; I317-Y405 HydrophobicContact CD1-CG 4.43Å; C319-Y405 HydrophobicContact CB-CE1 4.47Å; C319-Y405 WeakPolarHBondContact SG-CE1 3.35Å; P327-Y405 HydrophobicContact CB-CE2 3.74Å; P327-Y405 WeakPolarHBondContact CB-OH 3.48Å; E328-Y405 PolarHBondContact O-OH 2.91Å; P329-Y405 HydrophobicContact CB-CE1 4.44Å; P329-Y405 HydrophobicContact CB-CE2 4.36Å; P329-Y405 HydrophobicContact CG-CD2 3.69Å; P329-Y405 HydrophobicContact CG-CE2 3.72Å; P329-Y405 HydrophobicContact CG-CG 4.1Å; D332-Y405 PolarHBondContact O-OH 3.26Å; V334-Y405 HydrophobicContact CG2-CD1 3.76Å; V334-Y405 HydrophobicContact CG2-CE1 3.79Å; F401-Y405 HydrophobicContact CD2-CD2 4.39Å; F401-Y405 AromaticContact CE2-CD2 3.76Å; F401-Y405 HydrophobicContact CE2-CD2 3.76Å; F401-Y405 HydrophobicContact CE2-CE2 4.24Å; F401-Y405 HydrophobicContact CZ-CD2 4.12Å; F401-Y405 HydrophobicContact CZ-CE2 4.49Å; F401-Y405 VanDerWaalsContact O-CB 3.27Å; F401-Y405 WeakPolarHBondContact O-CB 3.26Å; F401-Y405 PolarHBondContact O-N 3.04Å; D402-Y405 PolarHBondContact O-N 3.03Å; Y405-I407 VanDerWaalsContact C-N 3.33Å; Y405-I407 PolarHBondContact O-N 3.2Å; Y405-S408 PolarHBondContact O-N 2.9Å; Y405-R409 HydrophobicContact CD1-CB 4.48Å; Y405-R409 WeakPolarHBondContact O-CB 3.25Å; Y405-R409 PolarHBondContact O-N 2.85Å
406	L	98.3	Very high	96.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-56.2	-44.3	177	-72.2	167.5	0	0	0	112.1	F315 I317 V334 I337 L378 W381 D402 R409 A410 F418	F315-L406 HydrophobicContact CE2-CD1 3.96Å; I317-L406 HydrophobicContact CD1-CD2 4.42Å; I317-L406 HydrophobicContact CD1-CG 4.13Å; I317-L406 HydrophobicContact CG2-CD1 4.15Å; I317-L406 HydrophobicContact CG2-CD2 4.43Å; I317-L406 HydrophobicContact CG2-CG 4.46Å; V334-L406 HydrophobicContact CG1-CD2 4.37Å; V334-L406 HydrophobicContact CG2-CD2 4.26Å; I337-L406 HydrophobicContact CD1-CD2 3.9Å; L378-L406 HydrophobicContact CD2-CD2 3.66Å; W381-L406 HydrophobicContact CH2-CD1 4.07Å; W381-L406 HydrophobicContact CZ3-CD1 3.98Å; D402-L406 WeakPolarHBondContact O-CB 3.49Å; D402-L406 VanDerWaalsContact O-CG 3.32Å; D402-L406 WeakPolarHBondContact O-CG 3.43Å; D402-L406 PolarHBondContact O-N 3.37Å; L406-R409 PolarHBondContact O-N 2.88Å; L406-A410 VanDerWaalsContact O-CB 3.31Å; L406-A410 WeakPolarHBondContact O-CB 3.49Å; L406-A410 PolarHBondContact O-N 3.34Å; L406-F418 HydrophobicContact CB-CE1 3.87Å; L406-F418 HydrophobicContact CB-CZ 3.81Å; L406-F418 HydrophobicContact CD2-CZ 4.37Å; L406-F418 HydrophobicContact CG-CZ 4.47Å
407	I	97.6	Very high	96.1	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-67.1	-48	179.5	-71.6	168.6	0	0	0	111.6	L403 P404 Y405 R409 A410 Q411 F418 I431 V449	L403-I407 WeakPolarHBondContact O-CB 3.43Å; L403-I407 VanDerWaalsContact O-CG1 3.31Å; L403-I407 WeakPolarHBondContact O-CG1 3.48Å; L403-I407 PolarHBondContact O-N 3.28Å; L403-I407 VanDerWaalsContact O-N 3.11Å; P404-I407 PolarHBondContact O-N 3.28Å; Y405-I407 VanDerWaalsContact C-N 3.33Å; Y405-I407 PolarHBondContact O-N 3.2Å; I407-R409 VanDerWaalsContact C-N 3.31Å; I407-R409 PolarHBondContact O-N 3.18Å; I407-A410 PolarHBondContact O-N 2.94Å; I407-Q411 VanDerWaalsContact O-CG 3.3Å; I407-Q411 WeakPolarHBondContact O-CG 3.37Å; I407-Q411 PolarHBondContact O-N 3.19Å; I407-F418 HydrophobicContact CG1-CE1 4.37Å; I407-I431 HydrophobicContact CB-CD1 4.15Å; I407-I431 HydrophobicContact CB-CG1 4.41Å; I407-I431 HydrophobicContact CD1-CG1 4.27Å; I407-I431 HydrophobicContact CG2-CD1 3.91Å; I407-I431 HydrophobicContact CG2-CG1 4.12Å; I407-V449 HydrophobicContact CD1-CG1 3.52Å; I407-V449 HydrophobicContact CD1-CG2 4.18Å
408	S	97.5	Very high	96.2	Very high	30 Å²	30	41 Å²	41	21%	0.21	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-35.2	177.1	-71.1	0	0	0	0	112.5	P404 Y405 Q411 T412	P404-S408 PolarHBondContact O-N 3.01Å; P404-S408 PolarHBondContact O-OG 3.45Å; Y405-S408 PolarHBondContact O-N 2.9Å; S408-Q411 PolarHBondContact O-N 2.78Å; S408-T412 PolarHBondContact O-N 2.92Å; S408-T412 PolarHBondContact O-OG1 3.43Å
409	R	97.8	Very high	96.1	Very high	20 Å²	20	42 Å²	42	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-68	-47.3	177.4	-170.9	66.1	-175	176.4	1.1	111.6	P329 R331 D332 V334 E374 Y405 L406 I407 Q411 T412 L413	P329-R409 WeakPolarHBondContact O-CD 3.48Å; P329-R409 PolarHBondContact O-NH1 3.16Å; R331-R409 VanDerWaalsContact C-NH1 3.3Å; R331-R409 PolarHBondContact O-NH1 2.77Å; R331-R409 VanDerWaalsContact O-NH1 3.11Å; D332-R409 PolarHBondContact O-NH1 2.82Å; V334-R409 HydrophobicContact CG2-CG 4.28Å; E374-R409 VanDerWaalsContact CD-NE 3.28Å; E374-R409 WeakPolarHBondContact OE1-CD 3.49Å; E374-R409 WeakPolarHBondContact OE1-CG 3.42Å; E374-R409 IonicContact OE1-CZ 2.71Å; E374-R409 IonicContact OE1-NE 3.83Å; E374-R409 PolarHBondContact OE1-NE 2.92Å; E374-R409 IonicContact OE1-NH2 3.76Å; E374-R409 IonicContact OE2-CZ 2.79Å; E374-R409 IonicContact OE2-NE 3.32Å; E374-R409 PolarHBondContact OE2-NE 3.38Å; E374-R409 VanDerWaalsContact OE2-NE 3.09Å; E374-R409 IonicContact OE2-NH2 3.44Å; E374-R409 PolarHBondContact OE2-NH2 3.31Å; Y405-R409 HydrophobicContact CD1-CB 4.48Å; Y405-R409 WeakPolarHBondContact O-CB 3.25Å; Y405-R409 PolarHBondContact O-N 2.85Å; L406-R409 PolarHBondContact O-N 2.88Å; I407-R409 VanDerWaalsContact C-N 3.31Å; I407-R409 PolarHBondContact O-N 3.18Å; R409-Q411 VanDerWaalsContact C-N 3.28Å; R409-Q411 PolarHBondContact O-N 3.23Å; R409-T412 WeakPolarHBondContact O-CB 3.33Å; R409-T412 PolarHBondContact O-N 2.69Å; R409-T412 VanDerWaalsContact O-N 3.11Å; R409-L413 HydrophobicContact CG-CD1 4.16Å; R409-L413 WeakPolarHBondContact O-CG 3.43Å; R409-L413 PolarHBondContact O-N 3.35Å
410	A	97.8	Very high	96.3	Very high	3 Å²	3	44 Å²	44	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-59.6	-36.9	174	0	0	0	0	0	112.7	L378 L406 I407 K414 V415 F418	L378-A410 HydrophobicContact CD1-CB 4.3Å; L406-A410 VanDerWaalsContact O-CB 3.31Å; L406-A410 WeakPolarHBondContact O-CB 3.49Å; L406-A410 PolarHBondContact O-N 3.34Å; I407-A410 PolarHBondContact O-N 2.94Å; A410-K414 PolarHBondContact O-N 3.21Å; A410-V415 HydrophobicContact CB-CB 4.33Å; A410-V415 PolarHBondContact O-N 3.17Å; A410-F418 HydrophobicContact CB-CB 3.67Å; A410-F418 HydrophobicContact CB-CD1 3.48Å; A410-F418 VanDerWaalsContact CB-CD1 3.48Å; A410-F418 HydrophobicContact CB-CE1 4.3Å; A410-F418 HydrophobicContact CB-CG 3.63Å
411	Q	96.6	Very high	96.5	Very high	128 Å²	128	42.1 Å²	42.1	60%	0.598	21%	0.21	S	C	*	.	H	α-helix	trans	-65.3	-43.5	172.8	-72.4	173	14.5	0	0	112.2	I407 S408 R409 L413 K414	I407-Q411 VanDerWaalsContact O-CG 3.3Å; I407-Q411 WeakPolarHBondContact O-CG 3.37Å; I407-Q411 PolarHBondContact O-N 3.19Å; S408-Q411 PolarHBondContact O-N 2.78Å; R409-Q411 VanDerWaalsContact C-N 3.28Å; R409-Q411 PolarHBondContact O-N 3.23Å; Q411-L413 VanDerWaalsContact C-N 3.35Å; Q411-L413 PolarHBondContact O-N 3.06Å; Q411-K414 PolarHBondContact O-N 3.21Å; Q411-K414 VanDerWaalsContact O-N 3.12Å
412	T	97.6	Very high	96.6	Very high	61 Å²	61	40.2 Å²	40.2	37%	0.374	20%	0.203	S	C	.	.	H	α-helix	trans	-60.3	-43.7	176.6	-59.4	0	0	0	0	111.6	S408 R409 K414	S408-T412 PolarHBondContact O-N 2.92Å; S408-T412 PolarHBondContact O-OG1 3.43Å; R409-T412 WeakPolarHBondContact O-CB 3.33Å; R409-T412 PolarHBondContact O-N 2.69Å; R409-T412 VanDerWaalsContact O-N 3.11Å; T412-K414 VanDerWaalsContact C-N 3.28Å; T412-K414 PolarHBondContact O-N 3.27Å
413	L	97.2	Very high	96.6	Very high	45 Å²	45	40 Å²	40	24%	0.236	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.2	176.9	-62.5	174.3	0	0	0	113.8	E374 E375 L378 R409 Q411 V415	E374-L413 HydrophobicContact CB-CD1 3.92Å; E374-L413 HydrophobicContact CG-CD1 3.72Å; E375-L413 HydrophobicContact CG-CB 4.28Å; L378-L413 HydrophobicContact CD1-CD1 3.9Å; R409-L413 HydrophobicContact CG-CD1 4.16Å; R409-L413 WeakPolarHBondContact O-CG 3.43Å; R409-L413 PolarHBondContact O-N 3.35Å; Q411-L413 VanDerWaalsContact C-N 3.35Å; Q411-L413 PolarHBondContact O-N 3.06Å; L413-V415 VanDerWaalsContact C-N 3.29Å; L413-V415 HydrophobicContact CB-CG2 3.91Å; L413-V415 PolarHBondContact O-N 3.49Å
414	K	97.5	Very high	96.5	Very high	172 Å²	172	40.8 Å²	40.8	75%	0.748	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	28.7	-179.5	-49.7	170.3	-173.2	169.6	0	114.4	A410 Q411 T412 Q416	A410-K414 PolarHBondContact O-N 3.21Å; Q411-K414 PolarHBondContact O-N 3.21Å; Q411-K414 VanDerWaalsContact O-N 3.12Å; T412-K414 VanDerWaalsContact C-N 3.28Å; T412-K414 PolarHBondContact O-N 3.27Å; K414-Q416 VanDerWaalsContact C-N 3.34Å; K414-Q416 WeakPolarHBondContact O-CG 3.22Å; K414-Q416 PolarHBondContact O-N 3.25Å
415	V	96.6	Very high	96.1	Very high	13 Å²	13	42.9 Å²	42.9	8%	0.079	23%	0.225	C	C	.	.			trans	-76.8	82.2	177.1	-173.2	0	0	0	0	109.7	E375 Q379 A410 L413 T417 F418	E375-V415 HydrophobicContact CB-CG2 3.89Å; E375-V415 HydrophobicContact CG-CG2 3.77Å; Q379-V415 HydrophobicContact CG-CG1 3.72Å; A410-V415 HydrophobicContact CB-CB 4.33Å; A410-V415 PolarHBondContact O-N 3.17Å; L413-V415 VanDerWaalsContact C-N 3.29Å; L413-V415 HydrophobicContact CB-CG2 3.91Å; L413-V415 PolarHBondContact O-N 3.49Å; V415-T417 PolarHBondContact O-N 3.39Å; V415-T417 VanDerWaalsContact O-N 3.17Å; V415-F418 HydrophobicContact CB-CB 4.39Å; V415-F418 HydrophobicContact CG1-CB 4Å; V415-F418 WeakPolarHBondContact O-CB 3.47Å; V415-F418 PolarHBondContact O-N 3.04Å
416	Q	92.6	Very high	95.6	Very high	167 Å²	167	45.9 Å²	45.9	78%	0.78	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.5	-168.9	-56.7	-173	43.2	0	0	114.4	K414 P419 F420	K414-Q416 VanDerWaalsContact C-N 3.34Å; K414-Q416 WeakPolarHBondContact O-CG 3.22Å; K414-Q416 PolarHBondContact O-N 3.25Å; Q416-P419 WeakPolarHBondContact O-CD 3.26Å; Q416-F420 WeakPolarHBondContact O-CE2 3.36Å
417	T	93.8	Very high	95.3	Very high	79 Å²	79	49.6 Å²	49.6	49%	0.485	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-15.7	-178.2	46.1	0	0	0	0	114	V415	V415-T417 PolarHBondContact O-N 3.39Å; V415-T417 VanDerWaalsContact O-N 3.17Å
418	F	96.4	Very high	95.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-46.7	-175.3	-175.2	-98.5	0	0	0	115.6	L378 W381 L406 I407 A410 V415 F420 L421	L378-F418 HydrophobicContact CB-CD2 3.73Å; L378-F418 HydrophobicContact CB-CE2 3.95Å; L378-F418 HydrophobicContact CD2-CD2 4.19Å; L378-F418 HydrophobicContact CD2-CE2 3.68Å; L378-F418 HydrophobicContact CD2-CZ 4.02Å; L378-F418 HydrophobicContact CG-CE2 4.42Å; L378-F418 VanDerWaalsContact O-CD2 3.3Å; L378-F418 WeakPolarHBondContact O-CD2 3.48Å; L378-F418 WeakPolarHBondContact O-CE2 3.3Å; W381-F418 AromaticContact CE3-CE2 3.91Å; W381-F418 HydrophobicContact CE3-CE2 3.91Å; W381-F418 AromaticContact CE3-CZ 3.89Å; W381-F418 HydrophobicContact CE3-CZ 3.89Å; W381-F418 HydrophobicContact CZ3-CE2 4.41Å; W381-F418 AromaticContact CZ3-CZ 3.95Å; W381-F418 HydrophobicContact CZ3-CZ 3.95Å; L406-F418 HydrophobicContact CB-CE1 3.87Å; L406-F418 HydrophobicContact CB-CZ 3.81Å; L406-F418 HydrophobicContact CD2-CZ 4.37Å; L406-F418 HydrophobicContact CG-CZ 4.47Å; I407-F418 HydrophobicContact CG1-CE1 4.37Å; A410-F418 HydrophobicContact CB-CB 3.67Å; A410-F418 HydrophobicContact CB-CD1 3.48Å; A410-F418 VanDerWaalsContact CB-CD1 3.48Å; A410-F418 HydrophobicContact CB-CE1 4.3Å; A410-F418 HydrophobicContact CB-CG 3.63Å; V415-F418 HydrophobicContact CB-CB 4.39Å; V415-F418 HydrophobicContact CG1-CB 4Å; V415-F418 WeakPolarHBondContact O-CB 3.47Å; V415-F418 PolarHBondContact O-N 3.04Å; F418-F420 PolarHBondContact O-N 3Å; F418-L421 HydrophobicContact CE1-CD1 4.12Å; F418-L421 HydrophobicContact CZ-CD1 4.43Å; F418-L421 VanDerWaalsContact O-CD2 3.31Å; F418-L421 WeakPolarHBondContact O-CD2 3.43Å; F418-L421 WeakPolarHBondContact O-CG 3.45Å
419	P	96.1	Very high	95	Very high	23 Å²	23	50.6 Å²	50.6	15%	0.149	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	11.7	-168.4	32.4	-36.9	0	0	0	114.7	Q416 L421 C428 S429	Q416-P419 WeakPolarHBondContact O-CD 3.26Å; P419-L421 VanDerWaalsContact C-N 3.33Å; P419-L421 PolarHBondContact O-N 2.93Å; P419-C428 HydrophobicContact CB-CB 4.39Å; P419-C428 HydrophobicContact CG-CB 4.32Å; P419-C428 WeakPolarHBondContact O-CA 3.46Å; P419-S429 WeakPolarHBondContact O-CB 3.07Å; P419-S429 PolarHBondContact O-N 3.23Å; P419-S429 PolarHBondContact O-OG 2.92Å
420	F	96.1	Very high	94.8	Very high	70 Å²	70	54.2 Å²	54.2	31%	0.307	31%	0.305	S	S	.	.			trans	-92.2	63.6	177.8	-65.9	-87.2	0	0	0	111.1	Q416 F418 C428	Q416-F420 WeakPolarHBondContact O-CE2 3.36Å; F418-F420 PolarHBondContact O-N 3Å; F420-C428 HydrophobicContact CD1-CB 4.3Å; F420-C428 HydrophobicContact CE1-CB 3.92Å; F420-C428 HydrophobicContact CE2-CB 4.48Å; F420-C428 HydrophobicContact CZ-CB 4.03Å
421	L	95.8	Very high	94.6	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	32%	0.318	C	S	.	.			trans	-99.2	-11.3	-167.3	-59.2	170	0	0	0	114.4	W381 I385 F418 P419 M451 R454	W381-L421 HydrophobicContact CZ3-CD1 4.42Å; W381-L421 HydrophobicContact CZ3-CD2 4.33Å; I385-L421 HydrophobicContact CG2-CD2 3.82Å; F418-L421 HydrophobicContact CE1-CD1 4.12Å; F418-L421 HydrophobicContact CZ-CD1 4.43Å; F418-L421 VanDerWaalsContact O-CD2 3.31Å; F418-L421 WeakPolarHBondContact O-CD2 3.43Å; F418-L421 WeakPolarHBondContact O-CG 3.45Å; P419-L421 VanDerWaalsContact C-N 3.33Å; P419-L421 PolarHBondContact O-N 2.93Å; L421-M451 HydrophobicContact CB-CE 3.69Å; L421-M451 HydrophobicContact CB-SD 3.56Å; L421-M451 VanDerWaalsContact CB-SD 3.56Å; L421-M451 HydrophobicContact CD1-CE 3.72Å; L421-M451 HydrophobicContact CG-CE 4.35Å; L421-R454 PolarHBondContact O-NE 3.39Å
422	G	95.4	Very high	94.4	Very high	7 Å²	7	58.7 Å²	58.7	7%	0.072	32%	0.32	C	S	.	.	S	Bend	trans	-74.9	-165.4	175.8	0	0	0	0	0	114.1	R454	G422-R454 PolarHBondContact O-NH2 3.14Å
423	R	96.4	Very high	94.1	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.008	33%	0.334	C	S	.	.	S	Bend	trans	-96.6	-7.8	172.8	-74.7	-176.6	159.5	147.6	-17.3	114.2	F128 T282 Q283 D389 D391 V452 G453 R454	F128-R423 HydrophobicContact CD1-CB 4.46Å; F128-R423 HydrophobicContact CE1-CB 4.07Å; T282-R423 CarbonylContact C-O 3.53Å; T282-R423 VanDerWaalsContact CA-O 3.28Å; T282-R423 WeakPolarHBondContact CA-O 3.2Å; T282-R423 WeakPolarHBondContact CB-O 3.47Å; Q283-R423 PolarHBondContact N-O 2.78Å; D389-R423 VanDerWaalsContact CG-NH2 3.29Å; D389-R423 PolarHBondContact O-NH2 3.36Å; D389-R423 IonicContact OD1-CZ 2.82Å; D389-R423 IonicContact OD1-NE 2.74Å; D389-R423 PolarHBondContact OD1-NE 2.82Å; D389-R423 IonicContact OD1-NH2 3.52Å; D389-R423 PolarHBondContact OD1-NH2 2.79Å; D389-R423 IonicContact OD2-CZ 3.7Å; D389-R423 IonicContact OD2-NE 3.53Å; D389-R423 PolarHBondContact OD2-NE 3.45Å; D389-R423 IonicContact OD2-NH2 3.55Å; D389-R423 PolarHBondContact OD2-NH2 3.5Å; D391-R423 IonicContact OD1-CZ 3.55Å; D391-R423 IonicContact OD1-NH1 3.03Å; D391-R423 PolarHBondContact OD1-NH1 3.17Å; D391-R423 IonicContact OD1-NH2 2.66Å; D391-R423 PolarHBondContact OD1-NH2 3.01Å; R423-V452 PolarHBondContact N-O 2.77Å; R423-G453 WeakPolarHBondContact CD-O 3.23Å; R423-G453 PolarHBondContact NH1-O 2.86Å; R423-R454 HydrophobicContact CG-CG 4.34Å
424	V	94.9	Very high	93.7	Very high	19 Å²	19	62.2 Å²	62.2	12%	0.115	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-96.3	115	179.7	-179.9	0	0	0	0	109.4	F128 G426 L427 V452	F128-V424 HydrophobicContact CZ-CG2 4.2Å; V424-G426 VanDerWaalsContact C-N 3.33Å; V424-G426 PolarHBondContact O-N 3.03Å; V424-L427 HydrophobicContact CB-CB 4.09Å; V424-L427 HydrophobicContact CG1-CB 3.93Å; V424-L427 PolarHBondContact O-N 3.48Å; V424-V452 HydrophobicContact CG2-CB 4.32Å; V424-V452 HydrophobicContact CG2-CG1 3.93Å
425	A	88.4	Confident	93.2	Very high	49 Å²	49	58.2 Å²	58.2	41%	0.405	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-31.2	-161.7	0	0	0	0	0	115.2	A281 Q283	A281-A425 PolarHBondContact O-N 3.42Å; Q283-A425 HydrophobicContact CG-CB 4.18Å
426	G	87.3	Confident	92.7	Very high	71 Å²	71	60.8 Å²	60.8	73%	0.732	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	10.2	-178.1	0	0	0	0	0	115.6	V424	V424-G426 VanDerWaalsContact C-N 3.33Å; V424-G426 PolarHBondContact O-N 3.03Å
427	L	92.4	Very high	92.3	Very high	79 Å²	79	60.3 Å²	60.3	41%	0.414	34%	0.342	S	S	.	.			trans	-111.8	121.6	-173.8	-176.4	69	0	0	0	111.5	V424 V452	V424-L427 HydrophobicContact CB-CB 4.09Å; V424-L427 HydrophobicContact CG1-CB 3.93Å; V424-L427 PolarHBondContact O-N 3.48Å; L427-V452 HydrophobicContact CD2-CB 4.41Å; L427-V452 HydrophobicContact CD2-CG2 3.76Å
428	C	94.3	Very high	91.7	Very high	48 Å²	48	59 Å²	59	32%	0.324	34%	0.336	S	S	.	.			trans	-85.6	146.4	176.4	62.7	0	0	0	0	112.6	P419 F420	P419-C428 HydrophobicContact CB-CB 4.39Å; P419-C428 HydrophobicContact CG-CB 4.32Å; P419-C428 WeakPolarHBondContact O-CA 3.46Å; F420-C428 HydrophobicContact CD1-CB 4.3Å; F420-C428 HydrophobicContact CE1-CB 3.92Å; F420-C428 HydrophobicContact CE2-CB 4.48Å; F420-C428 HydrophobicContact CZ-CB 4.03Å
429	S	94.4	Very high	90.7	Very high	4 Å²	4	69.8 Å²	69.8	3%	0.028	38%	0.383	C	S	.	.			trans	-73.4	138.2	172.1	-64.8	0	0	0	0	111	P419 S450	P419-S429 WeakPolarHBondContact O-CB 3.07Å; P419-S429 PolarHBondContact O-N 3.23Å; P419-S429 PolarHBondContact O-OG 2.92Å; S429-S450 WeakPolarHBondContact CA-OG 3.47Å; S429-S450 VanDerWaalsContact CB-O 3.26Å; S429-S450 WeakPolarHBondContact CB-O 3.36Å; S429-S450 PolarHBondContact OG-O 3.24Å
430	N	92.8	Very high	89.6	Confident	97 Å²	97	75.4 Å²	75.4	52%	0.519	41%	0.407	S	S	.	.			trans	-127.1	146.1	174.5	-50.3	141.4	0	0	0	110.2	V449 S450	N430-V449 WeakPolarHBondContact O-CA 3.13Å; N430-S450 PolarHBondContact N-OG 3.48Å; N430-S450 PolarHBondContact O-N 3.44Å
431	I	94.5	Very high	88.6	Confident	57 Å²	57	73.8 Å²	73.8	29%	0.292	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134	171.4	-51.6	163.4	0	0	0	107.9	P404 I407 K447 V449	P404-I431 HydrophobicContact CB-CD1 4.04Å; I407-I431 HydrophobicContact CB-CD1 4.15Å; I407-I431 HydrophobicContact CB-CG1 4.41Å; I407-I431 HydrophobicContact CD1-CG1 4.27Å; I407-I431 HydrophobicContact CG2-CD1 3.91Å; I407-I431 HydrophobicContact CG2-CG1 4.12Å; I431-K447 HydrophobicContact CG2-CB 4.16Å; I431-K447 HydrophobicContact CG2-CD 4.17Å; I431-K447 HydrophobicContact CG2-CG 4.18Å; I431-V449 HydrophobicContact CG1-CG2 4.26Å
432	R	92.9	Very high	87.9	Confident	168 Å²	168	75.2 Å²	75.2	63%	0.634	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.4	132.8	172.8	-170.2	-168.9	70.7	-162.1	-2.3	110.2	V448	R432-V448 HydrophobicContact CB-CG2 4.17Å; R432-V448 PolarHBondContact N-O 2.91Å; R432-V448 WeakPolarHBondContact O-CG2 3.41Å; R432-V448 PolarHBondContact O-N 3.47Å
433	D	90.1	Very high	87.4	Confident	126 Å²	126	80.5 Å²	80.5	67%	0.674	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	145.8	172.7	-60.1	-48.6	0	0	0	111.6
434	S	88.9	Confident	86.7	Confident	54 Å²	54	82 Å²	82	38%	0.378	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	128.3	178.5	-169.1	0	0	0	0	110.2	T446	S434-T446 PolarHBondContact N-O 2.93Å; S434-T446 PolarHBondContact O-N 3.36Å
435	S	87.1	Confident	86.2	Confident	87 Å²	87	84.4 Å²	84.4	61%	0.608	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.5	176.3	56.5	0	0	0	0	111.4	D445	S435-D445 WeakPolarHBondContact CB-OD1 3.5Å
436	F	85.7	Confident	86.2	Confident	67 Å²	67	83.1 Å²	83.1	29%	0.294	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.2	174.4	-177.5	-93.6	0	0	0	109.7	R443 R444	F436-R443 CarbonylContact O-C 3.58Å; F436-R443 VanDerWaalsContact O-CA 3.3Å; F436-R443 WeakPolarHBondContact O-CA 3.47Å; F436-R444 PolarHBondContact N-O 3.15Å; F436-R444 PolarHBondContact O-N 2.83Å
437	Q	83.8	Confident	86.3	Confident	157 Å²	157	83.4 Å²	83.4	73%	0.734	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.2	178.5	58.2	174.3	-6.7	0	0	112.4	R443	Q437-R443 HydrophobicContact CB-CB 4.1Å; Q437-R443 HydrophobicContact CB-CG 4.38Å
438	S	81.8	Confident	86.3	Confident	51 Å²	51	81.6 Å²	81.6	36%	0.357	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	145.7	171.7	171.8	0	0	0	0	110.9	Q440 T441 G442	S438-Q440 PolarHBondContact O-N 3.24Å; S438-Q440 VanDerWaalsContact O-N 3.1Å; S438-Q440 PolarHBondContact OG-N 3.34Å; S438-T441 PolarHBondContact O-N 2.95Å; S438-G442 PolarHBondContact N-O 3.17Å; S438-G442 CarbonylContact O-C 3.38Å; S438-G442 WeakPolarHBondContact O-CA 3.5Å; S438-G442 PolarHBondContact O-N 2.84Å
439	K	75.6	Confident	86.2	Confident	228 Å²	228	79.6 Å²	79.6	99%	0.991	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.6	173.4	-69.1	-176.8	178.4	179	0	112.8
440	Q	73.1	Confident	86.1	Confident	141 Å²	141	81.7 Å²	81.7	66%	0.659	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-30.5	-177.4	-177.7	64.4	-0.4	0	0	113.9	S438	S438-Q440 PolarHBondContact O-N 3.24Å; S438-Q440 VanDerWaalsContact O-N 3.1Å; S438-Q440 PolarHBondContact OG-N 3.34Å
441	T	74.7	Confident	86.2	Confident	35 Å²	35	77.8 Å²	77.8	22%	0.215	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-8.5	-170.1	55.4	0	0	0	0	114	S438 R444	S438-T441 PolarHBondContact O-N 2.95Å; T441-R444 PolarHBondContact O-NH1 3.34Å; T441-R444 PolarHBondContact O-NH2 2.99Å
442	G	81.9	Confident	86.2	Confident	32 Å²	32	76.3 Å²	76.3	33%	0.33	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	83.6	-172.9	-168.2	0	0	0	0	0	113.1	S438	S438-G442 PolarHBondContact N-O 3.17Å; S438-G442 CarbonylContact O-C 3.38Å; S438-G442 WeakPolarHBondContact O-CA 3.5Å; S438-G442 PolarHBondContact O-N 2.84Å
443	R	83.4	Confident	86.2	Confident	119 Å²	119	68.4 Å²	68.4	45%	0.449	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	138.6	164	173.2	176	166.2	-170.6	-9.1	108.9	F436 Q437 D445	F436-R443 CarbonylContact O-C 3.58Å; F436-R443 VanDerWaalsContact O-CA 3.3Å; F436-R443 WeakPolarHBondContact O-CA 3.47Å; Q437-R443 HydrophobicContact CB-CB 4.1Å; Q437-R443 HydrophobicContact CB-CG 4.38Å; R443-D445 IonicContact CZ-OD1 3.21Å; R443-D445 IonicContact CZ-OD2 3.66Å; R443-D445 IonicContact NE-OD1 2.92Å; R443-D445 PolarHBondContact NE-OD1 3.06Å; R443-D445 IonicContact NE-OD2 2.71Å; R443-D445 PolarHBondContact NE-OD2 3.45Å; R443-D445 IonicContact NH2-OD1 2.76Å; R443-D445 PolarHBondContact NH2-OD1 3.04Å; R443-D445 IonicContact NH2-OD2 3.45Å; R443-D445 PolarHBondContact NH2-OD2 2.84Å
444	R	82.9	Confident	86.5	Confident	34 Å²	34	62.6 Å²	62.6	13%	0.128	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.8	161.8	-69.9	-178.8	-171.7	68	17	108.5	F436 T441	F436-R444 PolarHBondContact N-O 3.15Å; F436-R444 PolarHBondContact O-N 2.83Å; T441-R444 PolarHBondContact O-NH1 3.34Å; T441-R444 PolarHBondContact O-NH2 2.99Å
445	D	84.8	Confident	86.9	Confident	69 Å²	69	60.2 Å²	60.2	37%	0.369	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140	166.8	-53	-31.1	0	0	0	106.3	S435 R443	S435-D445 WeakPolarHBondContact CB-OD1 3.5Å; R443-D445 IonicContact CZ-OD1 3.21Å; R443-D445 IonicContact CZ-OD2 3.66Å; R443-D445 IonicContact NE-OD1 2.92Å; R443-D445 PolarHBondContact NE-OD1 3.06Å; R443-D445 IonicContact NE-OD2 2.71Å; R443-D445 PolarHBondContact NE-OD2 3.45Å; R443-D445 IonicContact NH2-OD1 2.76Å; R443-D445 PolarHBondContact NH2-OD1 3.04Å; R443-D445 IonicContact NH2-OD2 3.45Å; R443-D445 PolarHBondContact NH2-OD2 2.84Å
446	T	87.9	Confident	87.4	Confident	21 Å²	21	57.3 Å²	57.3	13%	0.129	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	138.1	-167	-65.6	0	0	0	0	109.4	N400 S434 Q461	N400-T446 WeakPolarHBondContact OD1-CA 3.46Å; S434-T446 PolarHBondContact N-O 2.93Å; S434-T446 PolarHBondContact O-N 3.36Å; T446-Q461 PolarHBondContact OG1-NE2 3.41Å; T446-Q461 VanDerWaalsContact OG1-NE2 3.09Å
447	K	89.9	Confident	87.9	Confident	78 Å²	78	54.3 Å²	54.3	34%	0.339	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	140.1	173.5	-69	170.8	-173.8	170.4	0	109.8	Q399 N400 P404 I431	Q399-K447 WeakPolarHBondContact O-CB 3.47Å; N400-K447 PolarHBondContact OD1-N 3.49Å; N400-K447 VanDerWaalsContact OD1-N 3.09Å; P404-K447 HydrophobicContact CB-CD 3.93Å; P404-K447 HydrophobicContact CG-CB 4.16Å; P404-K447 HydrophobicContact CG-CD 3.64Å; I431-K447 HydrophobicContact CG2-CB 4.16Å; I431-K447 HydrophobicContact CG2-CD 4.17Å; I431-K447 HydrophobicContact CG2-CG 4.18Å
448	V	90.8	Very high	88.5	Confident	40 Å²	40	46.9 Å²	46.9	24%	0.242	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.9	169.3	-61.1	0	0	0	0	110.1	R432	R432-V448 HydrophobicContact CB-CG2 4.17Å; R432-V448 PolarHBondContact N-O 2.91Å; R432-V448 WeakPolarHBondContact O-CG2 3.41Å; R432-V448 PolarHBondContact O-N 3.47Å
449	V	93.8	Very high	89.2	Confident	6 Å²	6	44.4 Å²	44.4	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129	177.3	177	0	0	0	0	108.7	L403 I407 N430 I431 M451 Q456	L403-V449 HydrophobicContact CB-CB 4.47Å; L403-V449 HydrophobicContact CB-CG2 3.92Å; I407-V449 HydrophobicContact CD1-CG1 3.52Å; I407-V449 HydrophobicContact CD1-CG2 4.18Å; N430-V449 WeakPolarHBondContact O-CA 3.13Å; I431-V449 HydrophobicContact CG1-CG2 4.26Å; V449-M451 HydrophobicContact CG1-CE 3.96Å; V449-M451 HydrophobicContact CG1-CG 4.42Å; V449-M451 PolarHBondContact O-N 2.76Å; V449-Q456 PolarHBondContact O-NE2 2.84Å
450	S	92.7	Very high	90.1	Very high	49 Å²	49	34.7 Å²	34.7	34%	0.343	18%	0.181	S	C	.	.			trans	-71.1	120.3	179.9	45.1	0	0	0	0	112.1	S429 N430	S429-S450 WeakPolarHBondContact CA-OG 3.47Å; S429-S450 VanDerWaalsContact CB-O 3.26Å; S429-S450 WeakPolarHBondContact CB-O 3.36Å; S429-S450 PolarHBondContact OG-O 3.24Å; N430-S450 PolarHBondContact N-OG 3.48Å; N430-S450 PolarHBondContact O-N 3.44Å
451	M	93.6	Very high	91.1	Very high	14 Å²	14	29.3 Å²	29.3	7%	0.069	16%	0.156	C	C	.	.			trans	-135.9	59.3	-176.9	-68.8	-68.1	-167.3	0	0	110.9	L403 L421 V449 G453 R454	L403-M451 HydrophobicContact CD1-CE 4.32Å; L403-M451 HydrophobicContact CD2-CE 4.05Å; L421-M451 HydrophobicContact CB-CE 3.69Å; L421-M451 HydrophobicContact CB-SD 3.56Å; L421-M451 VanDerWaalsContact CB-SD 3.56Å; L421-M451 HydrophobicContact CD1-CE 3.72Å; L421-M451 HydrophobicContact CG-CE 4.35Å; V449-M451 HydrophobicContact CG1-CE 3.96Å; V449-M451 HydrophobicContact CG1-CG 4.42Å; V449-M451 PolarHBondContact O-N 2.76Å; M451-G453 PolarHBondContact O-N 2.93Å; M451-G453 VanDerWaalsContact O-N 3.16Å; M451-R454 HydrophobicContact CB-CB 4.36Å; M451-R454 PolarHBondContact O-N 3.05Å
452	V	94.1	Very high	91.9	Very high	26 Å²	26	28.1 Å²	28.1	16%	0.158	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	121.8	-172.6	-178.5	0	0	0	0	111.4	D102 F128 R423 V424 L427	D102-V452 HydrophobicContact CB-CG1 4.49Å; F128-V452 HydrophobicContact CE2-CG1 3.75Å; F128-V452 HydrophobicContact CZ-CG1 4.06Å; R423-V452 PolarHBondContact N-O 2.77Å; V424-V452 HydrophobicContact CG2-CB 4.32Å; V424-V452 HydrophobicContact CG2-CG1 3.93Å; L427-V452 HydrophobicContact CD2-CB 4.41Å; L427-V452 HydrophobicContact CD2-CG2 3.76Å
453	G	94.4	Very high	92.5	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.031	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	3.3	-177.6	0	0	0	0	0	115.1	E100 R423 M451	E100-G453 WeakPolarHBondContact OE2-CA 3.3Å; E100-G453 PolarHBondContact OE2-N 3.4Å; R423-G453 WeakPolarHBondContact CD-O 3.23Å; R423-G453 PolarHBondContact NH1-O 2.86Å; M451-G453 PolarHBondContact O-N 2.93Å; M451-G453 VanDerWaalsContact O-N 3.16Å
454	R	96.5	Very high	92.8	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.015	12%	0.118	C	C	.	.			trans	-133.3	123	-179.5	-51.7	-170.2	-169.2	-65.5	-6.6	111.5	E100 D389 P390 I393 L421 G422 R423 M451	E100-R454 PolarHBondContact OE2-N 3.44Å; D389-R454 IonicContact OD1-CZ 2.69Å; D389-R454 IonicContact OD1-NH1 3.66Å; D389-R454 PolarHBondContact OD1-NH1 3.04Å; D389-R454 IonicContact OD1-NH2 3.47Å; D389-R454 PolarHBondContact OD1-NH2 3.2Å; P390-R454 PolarHBondContact O-NH1 2.93Å; I393-R454 HydrophobicContact CD1-CB 4.49Å; L421-R454 PolarHBondContact O-NE 3.39Å; G422-R454 PolarHBondContact O-NH2 3.14Å; R423-R454 HydrophobicContact CG-CG 4.34Å; M451-R454 HydrophobicContact CB-CB 4.36Å; M451-R454 PolarHBondContact O-N 3.05Å
455	V	96.8	Very high	92.9	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.3	-177.9	-176.6	0	0	0	0	110.5	L99 E100 D391 V392 I393 M457 L543	L99-V455 HydrophobicContact CB-CG2 4.43Å; E100-V455 HydrophobicContact CB-CG2 4.45Å; D391-V455 PolarHBondContact O-N 3.29Å; V392-V455 CarbonylContact C-O 3.54Å; V392-V455 VanDerWaalsContact CA-O 3.3Å; V392-V455 WeakPolarHBondContact CA-O 3.49Å; V392-V455 HydrophobicContact CG2-CB 4.49Å; I393-V455 PolarHBondContact N-O 3.2Å; V455-M457 HydrophobicContact CG1-CG 4.12Å; V455-L543 HydrophobicContact CG1-CD2 4.07Å; V455-L543 HydrophobicContact CG1-CG 4.32Å; V455-L543 HydrophobicContact CG2-CD2 4.4Å
456	Q	96.4	Very high	92.9	Very high	26 Å²	26	26.1 Å²	26.1	12%	0.121	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.2	171.8	-69.3	166.9	33.7	0	0	110.8	I393 V449 L547	I393-Q456 CarbonylContact O-C 3.57Å; I393-Q456 WeakPolarHBondContact O-CA 3.46Å; V449-Q456 PolarHBondContact O-NE2 2.84Å; Q456-L547 WeakPolarHBondContact O-CD1 3.26Å
457	M	96.6	Very high	92.9	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.02	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	75.9	175.5	-62.7	-164.4	74.2	0	0	110.7	V392 I393 T394 V455 M459 V528 A532 L547	V392-M457 HydrophobicContact CG1-CB 4.15Å; V392-M457 HydrophobicContact CG1-CG 3.81Å; V392-M457 HydrophobicContact CG1-SD 3.95Å; I393-M457 PolarHBondContact O-N 3.3Å; T394-M457 WeakPolarHBondContact CA-O 3.43Å; T394-M457 WeakPolarHBondContact CB-O 3.42Å; T394-M457 PolarHBondContact OG1-O 3.03Å; V455-M457 HydrophobicContact CG1-CG 4.12Å; M457-M459 PolarHBondContact O-N 3.12Å; M457-V528 HydrophobicContact CE-CG1 3.86Å; M457-A532 HydrophobicContact CE-CB 4.27Å; M457-L547 HydrophobicContact CB-CD1 4.47Å; M457-L547 HydrophobicContact CG-CD1 4.12Å
458	D	96.9	Very high	92.8	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	117.4	175.8	-170.6	-35.3	0	0	0	110.8	N397 I398 Q399 L460 Q461 V462	N397-D458 WeakPolarHBondContact CA-OD2 3.31Å; N397-D458 PolarHBondContact N-OD1 3.2Å; N397-D458 PolarHBondContact N-OD2 3.01Å; I398-D458 HydrophobicContact CG1-CB 4.05Å; I398-D458 PolarHBondContact N-OD2 3.09Å; Q399-D458 HydrophobicContact CG-CB 4.05Å; Q399-D458 PolarHBondContact N-OD2 3.46Å; Q399-D458 VanDerWaalsContact N-OD2 3.1Å; D458-L460 VanDerWaalsContact C-N 3.3Å; D458-L460 PolarHBondContact O-N 3.2Å; D458-L460 WeakPolarHBondContact OD1-CB 3.34Å; D458-L460 PolarHBondContact OD1-N 2.98Å; D458-Q461 HydrophobicContact CB-CB 4.29Å; D458-Q461 HydrophobicContact CB-CG 4.12Å; D458-Q461 PolarHBondContact O-N 3.15Å; D458-V462 PolarHBondContact O-N 2.99Å; D458-V462 VanDerWaalsContact O-N 3.14Å
459	M	96.6	Very high	92.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-69.4	-25.5	-174.4	-79.8	-61.8	-65.1	0	0	113.3	G395 Y396 M457 Q461 V462 L463 P519 L522 L523 V528	G395-M459 WeakPolarHBondContact O-CB 3.35Å; G395-M459 PolarHBondContact O-N 3.37Å; Y396-M459 HydrophobicContact CD2-CB 3.98Å; Y396-M459 HydrophobicContact CE2-CB 4.39Å; M457-M459 PolarHBondContact O-N 3.12Å; M459-Q461 VanDerWaalsContact C-N 3.32Å; M459-V462 PolarHBondContact O-N 2.96Å; M459-V462 HydrophobicContact SD-CB 4.31Å; M459-V462 HydrophobicContact SD-CG2 4.35Å; M459-L463 WeakPolarHBondContact O-CB 3.37Å; M459-L463 VanDerWaalsContact O-CG 3.27Å; M459-L463 WeakPolarHBondContact O-CG 3.41Å; M459-L463 PolarHBondContact O-N 2.97Å; M459-P519 HydrophobicContact CG-CB 4.33Å; M459-L522 HydrophobicContact CE-CB 3.77Å; M459-L523 HydrophobicContact SD-CB 4.13Å; M459-L523 HydrophobicContact SD-CD1 3.72Å; M459-V528 HydrophobicContact CE-CG2 4.03Å; M459-V528 HydrophobicContact SD-CG1 4.47Å; M459-V528 HydrophobicContact SD-CG2 4.15Å
460	L	95.1	Very high	92.3	Very high	24 Å²	24	32 Å²	32	13%	0.126	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-43.4	172.7	175	60.1	0	0	0	110.2	Y396 N397 D458 L463 L464	Y396-L460 HydrophobicContact CD1-CB 4.16Å; Y396-L460 HydrophobicContact CD2-CB 4.41Å; Y396-L460 HydrophobicContact CE1-CB 3.97Å; Y396-L460 HydrophobicContact CE1-CD1 3.89Å; Y396-L460 HydrophobicContact CE1-CG 4.34Å; Y396-L460 HydrophobicContact CE2-CB 4.23Å; Y396-L460 HydrophobicContact CG-CB 4.38Å; N397-L460 HydrophobicContact CB-CD2 3.72Å; N397-L460 WeakPolarHBondContact OD1-CD2 3.3Å; D458-L460 VanDerWaalsContact C-N 3.3Å; D458-L460 PolarHBondContact O-N 3.2Å; D458-L460 WeakPolarHBondContact OD1-CB 3.34Å; D458-L460 PolarHBondContact OD1-N 2.98Å; L460-L463 PolarHBondContact O-N 3.02Å; L460-L464 HydrophobicContact CD1-CD1 3.78Å; L460-L464 HydrophobicContact CD1-CG 3.99Å; L460-L464 HydrophobicContact CG-CD1 3.78Å; L460-L464 HydrophobicContact CG-CG 4.41Å; L460-L464 WeakPolarHBondContact O-CB 3.28Å; L460-L464 VanDerWaalsContact O-CG 3.28Å; L460-L464 WeakPolarHBondContact O-CG 3.36Å; L460-L464 PolarHBondContact O-N 3.3Å
461	Q	92.4	Very high	92	Very high	27 Å²	27	31 Å²	31	13%	0.126	14%	0.144	C	C	.	.	H	α-helix	trans	-71.1	-33	-179.2	-63.7	-75.2	68.5	0	0	112.4	T446 D458 M459 R465	T446-Q461 PolarHBondContact OG1-NE2 3.41Å; T446-Q461 VanDerWaalsContact OG1-NE2 3.09Å; D458-Q461 HydrophobicContact CB-CB 4.29Å; D458-Q461 HydrophobicContact CB-CG 4.12Å; D458-Q461 PolarHBondContact O-N 3.15Å; M459-Q461 VanDerWaalsContact C-N 3.32Å; Q461-R465 WeakPolarHBondContact O-CD 3.24Å; Q461-R465 WeakPolarHBondContact O-CG 3.49Å; Q461-R465 PolarHBondContact O-N 2.71Å
462	V	93.1	Very high	91.9	Very high	10 Å²	10	32.1 Å²	32.1	6%	0.061	15%	0.148	C	C	.	.	H	α-helix	trans	-62.3	-52.6	169.1	174.3	0	0	0	0	110.3	D458 M459 L464 R465 E466 V528 L547	D458-V462 PolarHBondContact O-N 2.99Å; D458-V462 VanDerWaalsContact O-N 3.14Å; M459-V462 PolarHBondContact O-N 2.96Å; M459-V462 HydrophobicContact SD-CB 4.31Å; M459-V462 HydrophobicContact SD-CG2 4.35Å; V462-L464 PolarHBondContact O-N 2.88Å; V462-R465 PolarHBondContact O-N 2.91Å; V462-R465 VanDerWaalsContact O-N 3.16Å; V462-E466 PolarHBondContact O-N 2.94Å; V462-E466 VanDerWaalsContact O-N 3.13Å; V462-V528 HydrophobicContact CG1-CG1 3.84Å; V462-V528 HydrophobicContact CG1-CG2 4.19Å; V462-V528 HydrophobicContact CG2-CG1 4.13Å; V462-L547 HydrophobicContact CG2-CD2 3.88Å
463	L	92.8	Very high	91.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-37.6	-175.9	-68.3	179.7	0	0	0	112.9	Y396 M459 L460 R465 Y467 Y472 V477 F481 L526	Y396-L463 HydrophobicContact CE2-CD1 4.06Å; M459-L463 WeakPolarHBondContact O-CB 3.37Å; M459-L463 VanDerWaalsContact O-CG 3.27Å; M459-L463 WeakPolarHBondContact O-CG 3.41Å; M459-L463 PolarHBondContact O-N 2.97Å; L460-L463 PolarHBondContact O-N 3.02Å; L463-R465 PolarHBondContact O-N 2.91Å; L463-Y467 HydrophobicContact CD2-CD2 3.47Å; L463-Y467 VanDerWaalsContact CD2-CD2 3.47Å; L463-Y467 HydrophobicContact CD2-CE2 3.78Å; L463-Y467 HydrophobicContact CD2-CG 4.28Å; L463-Y467 WeakPolarHBondContact O-CA 3.44Å; L463-Y467 WeakPolarHBondContact O-CB 3.43Å; L463-Y467 PolarHBondContact O-N 3.35Å; L463-Y472 HydrophobicContact CB-CD1 4.41Å; L463-V477 HydrophobicContact CD1-CB 3.81Å; L463-V477 HydrophobicContact CD1-CG1 3.82Å; L463-V477 HydrophobicContact CD1-CG2 3.81Å; L463-F481 HydrophobicContact CD1-CE2 4.4Å; L463-F481 HydrophobicContact CD2-CE2 3.8Å; L463-F481 HydrophobicContact CD2-CZ 4.27Å; L463-L526 HydrophobicContact CD2-CD1 3.81Å
464	L	89.9	Confident	91.6	Very high	28 Å²	28	34.1 Å²	34.1	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-66.2	-19.3	175.9	-77.3	169.8	0	0	0	114.2	L460 V462 Y472	L460-L464 HydrophobicContact CD1-CD1 3.78Å; L460-L464 HydrophobicContact CD1-CG 3.99Å; L460-L464 HydrophobicContact CG-CD1 3.78Å; L460-L464 HydrophobicContact CG-CG 4.41Å; L460-L464 WeakPolarHBondContact O-CB 3.28Å; L460-L464 VanDerWaalsContact O-CG 3.28Å; L460-L464 WeakPolarHBondContact O-CG 3.36Å; L460-L464 PolarHBondContact O-N 3.3Å; V462-L464 PolarHBondContact O-N 2.88Å; L464-Y472 HydrophobicContact CD2-CD1 3.74Å; L464-Y472 HydrophobicContact CD2-CD2 3.94Å; L464-Y472 HydrophobicContact CD2-CE1 3.84Å; L464-Y472 HydrophobicContact CD2-CE2 4.05Å; L464-Y472 HydrophobicContact CD2-CG 3.78Å; L464-Y472 HydrophobicContact CG-CD1 4.11Å; L464-Y472 HydrophobicContact CG-CE1 4.32Å; L464-Y472 HydrophobicContact CG-CG 4.49Å
465	R	86.8	Confident	91.2	Very high	64 Å²	64	34.5 Å²	34.5	24%	0.242	16%	0.161	C	C	.	.	H	α-helix	trans	-95.2	-45.7	-178.8	-69.1	165.9	84.6	-111.5	13.6	112	Q461 V462 L463 L546 L547 R549	Q461-R465 WeakPolarHBondContact O-CD 3.24Å; Q461-R465 WeakPolarHBondContact O-CG 3.49Å; Q461-R465 PolarHBondContact O-N 2.71Å; V462-R465 PolarHBondContact O-N 2.91Å; V462-R465 VanDerWaalsContact O-N 3.16Å; L463-R465 PolarHBondContact O-N 2.91Å; R465-L546 PolarHBondContact NH1-O 3Å; R465-L546 PolarHBondContact NH2-O 3.21Å; R465-L547 PolarHBondContact NE-O 2.97Å; R465-L547 PolarHBondContact NH2-O 3.39Å; R465-L547 VanDerWaalsContact NH2-O 3.13Å; R465-R549 PolarHBondContact NH2-O 3.31Å
466	E	84.4	Confident	90.9	Very high	120 Å²	120	35.3 Å²	35.3	56%	0.561	17%	0.168	S	C	*	.	H	α-helix	trans	-89.1	-41.3	-176.1	-57.3	-51.7	138.6	0	0	113.1	V462	V462-E466 PolarHBondContact O-N 2.94Å; V462-E466 VanDerWaalsContact O-N 3.13Å
467	Y	87.6	Confident	90.7	Very high	56 Å²	56	34.1 Å²	34.1	22%	0.22	16%	0.163	C	C	.	.			trans	-101.9	150	-172.4	-63.3	-92.1	0	0	0	112.7	L463 Y472 F481 L526	L463-Y467 HydrophobicContact CD2-CD2 3.47Å; L463-Y467 VanDerWaalsContact CD2-CD2 3.47Å; L463-Y467 HydrophobicContact CD2-CE2 3.78Å; L463-Y467 HydrophobicContact CD2-CG 4.28Å; L463-Y467 WeakPolarHBondContact O-CA 3.44Å; L463-Y467 WeakPolarHBondContact O-CB 3.43Å; L463-Y467 PolarHBondContact O-N 3.35Å; Y467-Y472 PolarHBondContact O-OH 3.09Å; Y467-F481 HydrophobicContact CD1-CE1 4.04Å; Y467-F481 AromaticContact CD1-CZ 3.64Å; Y467-F481 HydrophobicContact CD1-CZ 3.64Å; Y467-F481 HydrophobicContact CD2-CZ 4.34Å; Y467-F481 AromaticContact CE1-CE1 3.78Å; Y467-F481 HydrophobicContact CE1-CE1 3.78Å; Y467-F481 AromaticContact CE1-CZ 3.73Å; Y467-F481 HydrophobicContact CE1-CZ 3.73Å; Y467-F481 HydrophobicContact CE2-CZ 4.42Å; Y467-F481 AromaticContact CG-CZ 3.97Å; Y467-F481 HydrophobicContact CG-CZ 3.97Å; Y467-L526 HydrophobicContact CE2-CD1 4.23Å
468	K	86.9	Confident	90.5	Very high	120 Å²	120	34 Å²	34	52%	0.522	16%	0.162	S	C	.	.			trans	-120.4	67.1	-175	-72.7	-178.9	178.7	176.1	0	110.8	Y472 R810	K468-Y472 WeakPolarHBondContact CA-OH 3.3Å; K468-R810 VanDerWaalsContact O-CD 3.28Å; K468-R810 WeakPolarHBondContact O-CD 3.31Å; K468-R810 PolarHBondContact O-NE 3.07Å; K468-R810 VanDerWaalsContact O-NE 3.07Å; K468-R810 PolarHBondContact O-NH1 3.36Å
469	L	89.1	Confident	90.2	Very high	23 Å²	23	39 Å²	39	12%	0.12	18%	0.184	C	C	.	.			trans	-87.4	172.4	-171.2	-53.9	-177.5	0	0	0	113.1	S471 Y472 V477 F481 R810	L469-S471 WeakPolarHBondContact CB-O 3.35Å; L469-Y472 HydrophobicContact CB-CD1 4.47Å; L469-Y472 HydrophobicContact CB-CE1 4.04Å; L469-Y472 HydrophobicContact CB-CE2 4.09Å; L469-Y472 HydrophobicContact CD1-CD1 4.36Å; L469-Y472 HydrophobicContact CD1-CE1 4.25Å; L469-Y472 HydrophobicContact CG-CE1 4.14Å; L469-Y472 PolarHBondContact N-OH 3.37Å; L469-V477 HydrophobicContact CD1-CG1 3.76Å; L469-F481 HydrophobicContact CD1-CE2 4.25Å; L469-F481 HydrophobicContact CD1-CZ 4.38Å; L469-R810 VanDerWaalsContact C-CD 3.45Å; L469-R810 WeakPolarHBondContact O-CD 3.39Å; L469-R810 PolarHBondContact O-NE 2.7Å
470	R	86.4	Confident	89.9	Confident	70 Å²	70	44 Å²	44	26%	0.264	21%	0.207	S	C	.	.	S	Bend	trans	-85.4	-39.7	177.9	-169	-177.7	-172.9	91.1	13.3	112	N812 V858 T860 R897	R470-N812 PolarHBondContact NH1-O 2.95Å; R470-N812 PolarHBondContact NH2-O 3.28Å; R470-V858 PolarHBondContact NH2-O 3Å; R470-T860 HydrophobicContact CG-CG2 4.2Å; R470-R897 WeakPolarHBondContact O-CD 3.32Å
471	S	86.6	Confident	89.7	Confident	29 Å²	29	43.6 Å²	43.6	20%	0.203	20%	0.204	C	C	.	.			trans	-132.1	156.9	175	-177.7	0	0	0	0	108.3	L469 D1051	L469-S471 WeakPolarHBondContact CB-O 3.35Å; S471-D1051 WeakPolarHBondContact CB-OD1 3.46Å; S471-D1051 PolarHBondContact OG-OD1 3.29Å
472	Y	90.6	Very high	89.6	Confident	36 Å²	36	43.4 Å²	43.4	14%	0.141	20%	0.204	C	C	.	.			trans	-131.5	22.2	-179.9	-68.5	-94.8	0	0	0	111.6	Y396 L463 L464 Y467 K468 L469	Y396-Y472 WeakPolarHBondContact CE1-O 3.44Å; Y396-Y472 PolarHBondContact OH-O 3.39Å; L463-Y472 HydrophobicContact CB-CD1 4.41Å; L464-Y472 HydrophobicContact CD2-CD1 3.74Å; L464-Y472 HydrophobicContact CD2-CD2 3.94Å; L464-Y472 HydrophobicContact CD2-CE1 3.84Å; L464-Y472 HydrophobicContact CD2-CE2 4.05Å; L464-Y472 HydrophobicContact CD2-CG 3.78Å; L464-Y472 HydrophobicContact CG-CD1 4.11Å; L464-Y472 HydrophobicContact CG-CE1 4.32Å; L464-Y472 HydrophobicContact CG-CG 4.49Å; Y467-Y472 PolarHBondContact O-OH 3.09Å; K468-Y472 WeakPolarHBondContact CA-OH 3.3Å; L469-Y472 HydrophobicContact CB-CD1 4.47Å; L469-Y472 HydrophobicContact CB-CE1 4.04Å; L469-Y472 HydrophobicContact CB-CE2 4.09Å; L469-Y472 HydrophobicContact CD1-CD1 4.36Å; L469-Y472 HydrophobicContact CD1-CE1 4.25Å; L469-Y472 HydrophobicContact CG-CE1 4.14Å; L469-Y472 PolarHBondContact N-OH 3.37Å
473	T	89.6	Confident	89.3	Confident	56 Å²	56	45.5 Å²	45.5	34%	0.344	23%	0.228	S	C	.	.	S	Bend	trans	-65	152.2	166.1	59.3	0	0	0	0	109.9	N475 A476 V477 D1051	T473-N475 PolarHBondContact O-N 3.01Å; T473-A476 PolarHBondContact O-N 2.88Å; T473-A476 VanDerWaalsContact O-N 3.13Å; T473-A476 VanDerWaalsContact OG1-CB 3.23Å; T473-A476 WeakPolarHBondContact OG1-CB 3.49Å; T473-A476 PolarHBondContact OG1-N 2.84Å; T473-A476 VanDerWaalsContact OG1-N 3.11Å; T473-V477 PolarHBondContact O-N 3.09Å; T473-V477 VanDerWaalsContact O-N 3.12Å; T473-D1051 WeakPolarHBondContact CG2-OD2 3.41Å; T473-D1051 PolarHBondContact OG1-OD2 2.95Å
474	L	91.5	Very high	88.5	Confident	16 Å²	16	48.4 Å²	48.4	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-54.2	-42	174.8	-175	58.8	0	0	0	110.4	Y396 A476 V477 S478 K486 D515 L518 L522	Y396-L474 HydrophobicContact CD1-CB 4.19Å; Y396-L474 HydrophobicContact CD2-CD1 3.83Å; Y396-L474 HydrophobicContact CE1-CB 4.28Å; Y396-L474 HydrophobicContact CE2-CD1 4.17Å; Y396-L474 HydrophobicContact CG-CB 4.5Å; Y396-L474 HydrophobicContact CG-CD1 4.03Å; L474-A476 PolarHBondContact O-N 3.2Å; L474-V477 HydrophobicContact CD1-CG2 4.42Å; L474-V477 WeakPolarHBondContact O-CG2 3.11Å; L474-V477 PolarHBondContact O-N 3.08Å; L474-S478 VanDerWaalsContact O-CB 3.24Å; L474-S478 WeakPolarHBondContact O-CB 3.29Å; L474-S478 PolarHBondContact O-N 3.36Å; L474-S478 PolarHBondContact O-OG 3.08Å; L474-K486 HydrophobicContact CD2-CD 4.35Å; L474-K486 HydrophobicContact CG-CD 4.45Å; L474-D515 HydrophobicContact CD2-CB 4.16Å; L474-L518 HydrophobicContact CD1-CB 4.03Å; L474-L518 HydrophobicContact CD2-CB 4.3Å; L474-L518 HydrophobicContact CD2-CD1 4.13Å; L474-L518 HydrophobicContact CG-CB 4.4Å; L474-L518 HydrophobicContact CG-CD1 4.2Å; L474-L522 HydrophobicContact CD1-CD1 4.11Å
475	N	88.8	Confident	87.9	Confident	12 Å²	12	49.6 Å²	49.6	6%	0.064	25%	0.246	C	C	.	.	H	α-helix	trans	-55	-50.7	176.1	-48.8	4.6	0	0	0	112.2	T473 F479 K486 D488 S1049	T473-N475 PolarHBondContact O-N 3.01Å; N475-F479 WeakPolarHBondContact O-CB 3.47Å; N475-F479 PolarHBondContact O-N 3.47Å; N475-K486 HydrophobicContact CB-CG 4.45Å; N475-K486 WeakPolarHBondContact OD1-CD 3.39Å; N475-K486 WeakPolarHBondContact OD1-CE 3.37Å; N475-K486 VanDerWaalsContact OD1-CG 3.28Å; N475-K486 WeakPolarHBondContact OD1-CG 3.26Å; N475-D488 PolarHBondContact ND2-OD1 3.5Å; N475-S1049 PolarHBondContact ND2-OG 2.82Å; N475-S1049 VanDerWaalsContact ND2-OG 3.08Å
476	A	90	Very high	87.5	Confident	20 Å²	20	47.2 Å²	47.2	17%	0.165	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-39.3	-177.1	0	0	0	0	0	112.4	T473 L474 H480 D1051	T473-A476 PolarHBondContact O-N 2.88Å; T473-A476 VanDerWaalsContact O-N 3.13Å; T473-A476 VanDerWaalsContact OG1-CB 3.23Å; T473-A476 WeakPolarHBondContact OG1-CB 3.49Å; T473-A476 PolarHBondContact OG1-N 2.84Å; T473-A476 VanDerWaalsContact OG1-N 3.11Å; L474-A476 PolarHBondContact O-N 3.2Å; A476-H480 WeakPolarHBondContact O-CB 3.33Å; A476-H480 PolarHBondContact O-N 3.48Å; A476-D1051 HydrophobicContact CB-CB 4.17Å
477	V	93.4	Very high	87.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-78.4	-37.6	-178.6	-53.7	0	0	0	0	111.8	Y396 L463 L469 T473 L474 H480 F481 L522	Y396-V477 HydrophobicContact CE2-CG2 3.95Å; L463-V477 HydrophobicContact CD1-CB 3.81Å; L463-V477 HydrophobicContact CD1-CG1 3.82Å; L463-V477 HydrophobicContact CD1-CG2 3.81Å; L469-V477 HydrophobicContact CD1-CG1 3.76Å; T473-V477 PolarHBondContact O-N 3.09Å; T473-V477 VanDerWaalsContact O-N 3.12Å; L474-V477 HydrophobicContact CD1-CG2 4.42Å; L474-V477 WeakPolarHBondContact O-CG2 3.11Å; L474-V477 PolarHBondContact O-N 3.08Å; V477-H480 PolarHBondContact O-N 3.26Å; V477-F481 HydrophobicContact CB-CD2 4.24Å; V477-F481 HydrophobicContact CB-CE2 4.29Å; V477-F481 WeakPolarHBondContact O-CD2 3.35Å; V477-F481 PolarHBondContact O-N 2.84Å; V477-L522 HydrophobicContact CG2-CD1 3.92Å
478	S	91.8	Very high	86.9	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-41.3	171.5	-64.4	0	0	0	0	111.5	L474 L482 G483 E484	L474-S478 VanDerWaalsContact O-CB 3.24Å; L474-S478 WeakPolarHBondContact O-CB 3.29Å; L474-S478 PolarHBondContact O-N 3.36Å; L474-S478 PolarHBondContact O-OG 3.08Å; S478-L482 CarbonylContact O-C 3.56Å; S478-L482 VanDerWaalsContact O-CA 3.29Å; S478-L482 WeakPolarHBondContact O-CA 3.47Å; S478-L482 WeakPolarHBondContact O-CB 3.41Å; S478-L482 PolarHBondContact O-N 3.01Å; S478-G483 PolarHBondContact O-N 3.3Å; S478-E484 CarbonylContact C-O 3.57Å; S478-E484 VanDerWaalsContact C-O 3.28Å; S478-E484 PolarHBondContact O-N 3.45Å
479	F	90.1	Very high	86.7	Confident	106 Å²	106	36.8 Å²	36.8	47%	0.465	20%	0.195	S	C	.	.	H	α-helix	trans	-69	-44.1	174.9	-177.3	-115.1	0	0	0	112	N475 F481 G483 E484 Q485	N475-F479 WeakPolarHBondContact O-CB 3.47Å; N475-F479 PolarHBondContact O-N 3.47Å; F479-F481 PolarHBondContact O-N 3.02Å; F479-G483 VanDerWaalsContact O-CA 3.3Å; F479-G483 WeakPolarHBondContact O-CA 3.49Å; F479-G483 PolarHBondContact O-N 3.43Å; F479-G483 VanDerWaalsContact O-N 3.17Å; F479-E484 WeakPolarHBondContact CA-O 3.28Å; F479-E484 PolarHBondContact N-O 2.78Å; F479-Q485 HydrophobicContact CB-CG 4.13Å; F479-Q485 HydrophobicContact CD2-CG 3.44Å; F479-Q485 VanDerWaalsContact CD2-CG 3.44Å; F479-Q485 HydrophobicContact CE2-CG 4.09Å; F479-Q485 VanDerWaalsContact CE2-NE2 3.25Å; F479-Q485 HydrophobicContact CG-CG 3.92Å
480	H	90.6	Very high	86.1	Confident	107 Å²	107	39.5 Å²	39.5	50%	0.495	21%	0.207	S	C	.	.	H	α-helix	trans	-63	-42	-178.8	178.7	38.5	0	0	0	113.2	A476 V477	A476-H480 WeakPolarHBondContact O-CB 3.33Å; A476-H480 PolarHBondContact O-N 3.48Å; V477-H480 PolarHBondContact O-N 3.26Å
481	F	91.2	Very high	85.7	Confident	14 Å²	14	38.7 Å²	38.7	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-94.2	-56.2	-178.2	-62.1	-60	0	0	0	112.5	L463 Y467 L469 V477 F479 L522 R525 L526	L463-F481 HydrophobicContact CD1-CE2 4.4Å; L463-F481 HydrophobicContact CD2-CE2 3.8Å; L463-F481 HydrophobicContact CD2-CZ 4.27Å; Y467-F481 HydrophobicContact CD1-CE1 4.04Å; Y467-F481 AromaticContact CD1-CZ 3.64Å; Y467-F481 HydrophobicContact CD1-CZ 3.64Å; Y467-F481 HydrophobicContact CD2-CZ 4.34Å; Y467-F481 AromaticContact CE1-CE1 3.78Å; Y467-F481 HydrophobicContact CE1-CE1 3.78Å; Y467-F481 AromaticContact CE1-CZ 3.73Å; Y467-F481 HydrophobicContact CE1-CZ 3.73Å; Y467-F481 HydrophobicContact CE2-CZ 4.42Å; Y467-F481 AromaticContact CG-CZ 3.97Å; Y467-F481 HydrophobicContact CG-CZ 3.97Å; L469-F481 HydrophobicContact CD1-CE2 4.25Å; L469-F481 HydrophobicContact CD1-CZ 4.38Å; V477-F481 HydrophobicContact CB-CD2 4.24Å; V477-F481 HydrophobicContact CB-CE2 4.29Å; V477-F481 WeakPolarHBondContact O-CD2 3.35Å; V477-F481 PolarHBondContact O-N 2.84Å; F479-F481 PolarHBondContact O-N 3.02Å; F481-L522 HydrophobicContact CB-CD2 3.98Å; F481-L522 HydrophobicContact CD2-CD2 3.93Å; F481-L522 HydrophobicContact CG-CD2 4.38Å; F481-R525 PolarHBondContact O-NH1 3.15Å; F481-L526 HydrophobicContact CD1-CD2 3.83Å; F481-L526 HydrophobicContact CD2-CD1 4.05Å; F481-L526 HydrophobicContact CE1-CD2 4.11Å; F481-L526 HydrophobicContact CE2-CD1 4.02Å; F481-L526 HydrophobicContact CG-CD1 4.33Å; F481-L526 HydrophobicContact CG-CD2 4.13Å; F481-L526 HydrophobicContact CZ-CD1 4.26Å
482	L	89.9	Confident	85.4	Confident	24 Å²	24	38.2 Å²	38.2	13%	0.126	20%	0.203	C	C	.	.	H	α-helix	trans	-83.2	-15.5	-171.9	-46.9	179.9	0	0	0	113.2	S478 E484 L518 R521 L522 R525	S478-L482 CarbonylContact O-C 3.56Å; S478-L482 VanDerWaalsContact O-CA 3.29Å; S478-L482 WeakPolarHBondContact O-CA 3.47Å; S478-L482 WeakPolarHBondContact O-CB 3.41Å; S478-L482 PolarHBondContact O-N 3.01Å; L482-E484 HydrophobicContact CB-CB 4.35Å; L482-E484 PolarHBondContact O-N 3.18Å; L482-L518 HydrophobicContact CD1-CD2 3.78Å; L482-R521 HydrophobicContact CD1-CB 4.13Å; L482-L522 HydrophobicContact CD1-CD2 4.19Å; L482-L522 HydrophobicContact CD1-CG 4.24Å; L482-L522 HydrophobicContact CD2-CD2 4Å; L482-L522 HydrophobicContact CG-CD2 3.89Å; L482-L522 HydrophobicContact CG-CG 4.46Å; L482-R525 HydrophobicContact CD2-CB 4.42Å
483	G	86.6	Confident	85.2	Confident	54 Å²	54	38.8 Å²	38.8	56%	0.557	21%	0.208	S	C	*	.			trans	77.7	4.3	-172.3	0	0	0	0	0	114.1	S478 F479	S478-G483 PolarHBondContact O-N 3.3Å; F479-G483 VanDerWaalsContact O-CA 3.3Å; F479-G483 WeakPolarHBondContact O-CA 3.49Å; F479-G483 PolarHBondContact O-N 3.43Å; F479-G483 VanDerWaalsContact O-N 3.17Å
484	E	77.8	Confident	85.3	Confident	61 Å²	61	36.6 Å²	36.6	29%	0.285	19%	0.194	S	C	.	.			trans	-103.5	138.2	-171	-175.2	168.5	-149.1	0	0	112.1	S478 F479 L482 K514 R521	S478-E484 CarbonylContact C-O 3.57Å; S478-E484 VanDerWaalsContact C-O 3.28Å; S478-E484 PolarHBondContact O-N 3.45Å; F479-E484 WeakPolarHBondContact CA-O 3.28Å; F479-E484 PolarHBondContact N-O 2.78Å; L482-E484 HydrophobicContact CB-CB 4.35Å; L482-E484 PolarHBondContact O-N 3.18Å; E484-K514 WeakPolarHBondContact OE1-CE 3.4Å; E484-K514 IonicContact OE1-NZ 3.85Å; E484-K514 PolarHBondContact OE1-NZ 3.18Å; E484-K514 IonicContact OE2-NZ 3.54Å; E484-K514 PolarHBondContact OE2-NZ 3.06Å; E484-R521 IonicContact OE2-CZ 3.27Å; E484-R521 IonicContact OE2-NH1 3.47Å; E484-R521 PolarHBondContact OE2-NH1 3.4Å
485	Q	75.5	Confident	85.3	Confident	53 Å²	53	37 Å²	37	25%	0.248	20%	0.197	C	C	.	.			trans	-111.3	130.6	171.2	-60.3	-174.9	12.2	0	0	108.8	F479 C1052	F479-Q485 HydrophobicContact CB-CG 4.13Å; F479-Q485 HydrophobicContact CD2-CG 3.44Å; F479-Q485 VanDerWaalsContact CD2-CG 3.44Å; F479-Q485 HydrophobicContact CE2-CG 4.09Å; F479-Q485 VanDerWaalsContact CE2-NE2 3.25Å; F479-Q485 HydrophobicContact CG-CG 3.92Å; Q485-C1052 PolarHBondContact OE1-SG 3.38Å
486	K	78.4	Confident	85.5	Confident	14 Å²	14	40.2 Å²	40.2	6%	0.061	21%	0.214	C	C	.	.			trans	-87.2	157.6	170.7	59.3	-178.6	-112.5	77.6	0	110.9	L474 N475 Y511 D515 L518	L474-K486 HydrophobicContact CD2-CD 4.35Å; L474-K486 HydrophobicContact CG-CD 4.45Å; N475-K486 HydrophobicContact CB-CG 4.45Å; N475-K486 WeakPolarHBondContact OD1-CD 3.39Å; N475-K486 WeakPolarHBondContact OD1-CE 3.37Å; N475-K486 VanDerWaalsContact OD1-CG 3.28Å; N475-K486 WeakPolarHBondContact OD1-CG 3.26Å; K486-Y511 PolarHBondContact NZ-OH 3.25Å; K486-D515 VanDerWaalsContact CD-OD1 3.31Å; K486-D515 WeakPolarHBondContact CD-OD1 3.43Å; K486-D515 VanDerWaalsContact CE-OD1 3.23Å; K486-D515 WeakPolarHBondContact CE-OD1 3.4Å; K486-D515 WeakPolarHBondContact CE-OD2 3.48Å; K486-D515 IonicContact NZ-OD1 2.74Å; K486-D515 PolarHBondContact NZ-OD1 3.22Å; K486-D515 IonicContact NZ-OD2 3.46Å; K486-D515 PolarHBondContact NZ-OD2 3.38Å; K486-L518 HydrophobicContact CB-CD1 4.49Å; K486-L518 HydrophobicContact CD-CD1 4.03Å
487	E	79.6	Confident	85.7	Confident	29 Å²	29	40.2 Å²	40.2	14%	0.136	21%	0.211	C	C	.	.			trans	-62.1	148.8	156.7	-175.3	159.7	-121.7	0	0	108.8	V489 R507 Y511 I1046 C1047	E487-V489 HydrophobicContact CG-CG2 4Å; E487-R507 VanDerWaalsContact CD-NH2 3.31Å; E487-R507 IonicContact OE1-NH2 2.98Å; E487-R507 PolarHBondContact OE1-NH2 3.23Å; E487-R507 VanDerWaalsContact OE1-NH2 3.13Å; E487-R507 IonicContact OE2-CZ 3.55Å; E487-R507 IonicContact OE2-NE 2.99Å; E487-R507 IonicContact OE2-NH2 2.67Å; E487-R507 PolarHBondContact OE2-NH2 3.47Å; E487-Y511 VanDerWaalsContact O-CE2 3.28Å; E487-Y511 WeakPolarHBondContact O-CE2 3.47Å; E487-I1046 WeakPolarHBondContact OE1-CA 3.4Å; E487-I1046 PolarHBondContact OE1-N 3.22Å; E487-C1047 HydrophobicContact CG-CB 4.07Å
488	D	81	Confident	85.8	Confident	34 Å²	34	40.8 Å²	40.8	18%	0.182	21%	0.214	C	C	.	.			trans	-128.7	90.5	-174.5	-178.9	81.6	0	0	0	106.6	N475 C1047 T1048 S1049	N475-D488 PolarHBondContact ND2-OD1 3.5Å; D488-C1047 WeakPolarHBondContact O-CA 3.4Å; D488-T1048 PolarHBondContact O-N 3.11Å; D488-T1048 PolarHBondContact O-OG1 3.36Å; D488-T1048 VanDerWaalsContact O-OG1 3.09Å; D488-T1048 PolarHBondContact OD2-OG1 3.2Å; D488-S1049 VanDerWaalsContact OD2-CA 3.31Å; D488-S1049 WeakPolarHBondContact OD2-CA 3.33Å; D488-S1049 PolarHBondContact OD2-N 3.11Å; D488-S1049 VanDerWaalsContact OD2-N 3.09Å
489	V	82.5	Confident	86	Confident	14 Å²	14	46.8 Å²	46.8	9%	0.085	25%	0.246	C	C	.	.			trans	-85	124.7	-173.5	-178.9	0	0	0	0	108.5	E487 H491 I493 I494 L497 Y511	E487-V489 HydrophobicContact CG-CG2 4Å; V489-H491 PolarHBondContact O-N 2.95Å; V489-I493 HydrophobicContact CG1-CB 4.34Å; V489-I494 HydrophobicContact CB-CG1 4.48Å; V489-I494 HydrophobicContact CG1-CG1 3.79Å; V489-L497 HydrophobicContact CG1-CD1 4.19Å; V489-Y511 HydrophobicContact CB-CD2 4.5Å; V489-Y511 HydrophobicContact CB-CE2 4.01Å; V489-Y511 HydrophobicContact CG2-CD2 3.78Å; V489-Y511 HydrophobicContact CG2-CE2 3.66Å
490	Q	76.3	Confident	86.2	Confident	79 Å²	79	43.5 Å²	43.5	37%	0.369	24%	0.242	S	C	.	.			trans	-67.1	129.8	178.4	-172.5	179.3	-4.2	0	0	110.6	S492 I493 I494 T1048	Q490-S492 WeakPolarHBondContact CG-OG 3.25Å; Q490-S492 PolarHBondContact NE2-OG 2.8Å; Q490-S492 PolarHBondContact O-N 2.72Å; Q490-I493 HydrophobicContact CB-CD1 4.08Å; Q490-I493 HydrophobicContact CB-CG1 4.31Å; Q490-I493 WeakPolarHBondContact O-CA 3.37Å; Q490-I493 WeakPolarHBondContact O-CB 3.46Å; Q490-I493 PolarHBondContact O-N 3.5Å; Q490-I494 PolarHBondContact O-N 3.42Å; Q490-T1048 HydrophobicContact CB-CG2 4.19Å
491	H	78.3	Confident	86.4	Confident	53 Å²	53	42.4 Å²	42.4	25%	0.245	24%	0.24	C	C	.	.	H	α-helix	trans	-42.9	-35.8	178.4	63.5	106.5	0	0	0	115.6	V489 I493 I494	V489-H491 PolarHBondContact O-N 2.95Å; H491-I493 PolarHBondContact O-N 2.83Å; H491-I494 PolarHBondContact O-N 3.29Å
492	S	79.8	Confident	86.7	Confident	20 Å²	20	44.7 Å²	44.7	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-69.2	-15.1	177.4	55.6	0	0	0	0	115.1	K323 Q490	K323-S492 WeakPolarHBondContact CE-O 3.42Å; Q490-S492 WeakPolarHBondContact CG-OG 3.25Å; Q490-S492 PolarHBondContact NE2-OG 2.8Å; Q490-S492 PolarHBondContact O-N 2.72Å
493	I	86.2	Confident	86.9	Confident	47 Å²	47	47.8 Å²	47.8	24%	0.241	27%	0.267	C	S	.	.	H	α-helix	trans	-97.6	-27.4	179.3	-52.6	175	0	0	0	110.4	V489 Q490 H491 T495 D496 L497 I1046	V489-I493 HydrophobicContact CG1-CB 4.34Å; Q490-I493 HydrophobicContact CB-CD1 4.08Å; Q490-I493 HydrophobicContact CB-CG1 4.31Å; Q490-I493 WeakPolarHBondContact O-CA 3.37Å; Q490-I493 WeakPolarHBondContact O-CB 3.46Å; Q490-I493 PolarHBondContact O-N 3.5Å; H491-I493 PolarHBondContact O-N 2.83Å; I493-T495 VanDerWaalsContact C-N 3.26Å; I493-T495 PolarHBondContact O-N 3.14Å; I493-D496 WeakPolarHBondContact O-CA 3.33Å; I493-D496 PolarHBondContact O-N 2.81Å; I493-L497 HydrophobicContact CG2-CD1 4.34Å; I493-L497 HydrophobicContact CG2-CG 4.28Å; I493-L497 PolarHBondContact O-N 3.39Å; I493-I1046 HydrophobicContact CD1-CG2 3.53Å; I493-I1046 HydrophobicContact CG2-CG2 4.06Å
494	I	91.6	Very high	87.3	Confident	10 Å²	10	47 Å²	47	5%	0.051	25%	0.251	C	S	.	.	H	α-helix	trans	-56.2	-43.2	175.7	-59.2	-176.7	0	0	0	110.6	E318 I335 V489 Q490 H491 D496 L497 Q498 L508	E318-I494 WeakPolarHBondContact OE2-CD1 3.47Å; I335-I494 HydrophobicContact CD1-CG2 3.96Å; V489-I494 HydrophobicContact CB-CG1 4.48Å; V489-I494 HydrophobicContact CG1-CG1 3.79Å; Q490-I494 PolarHBondContact O-N 3.42Å; H491-I494 PolarHBondContact O-N 3.29Å; I494-D496 VanDerWaalsContact C-N 3.34Å; I494-D496 PolarHBondContact O-N 2.83Å; I494-L497 PolarHBondContact O-N 2.6Å; I494-Q498 WeakPolarHBondContact O-CB 3.48Å; I494-Q498 PolarHBondContact O-N 2.62Å; I494-L508 HydrophobicContact CG1-CD1 4.43Å; I494-L508 HydrophobicContact CG2-CD1 3.87Å; I494-L508 HydrophobicContact CG2-CD2 3.79Å
495	T	92.5	Very high	88.2	Confident	24 Å²	24	45.1 Å²	45.1	15%	0.147	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-37.7	173.3	-55	0	0	0	0	112.9	A320 G321 I493 N499	A320-T495 VanDerWaalsContact C-OG1 3.23Å; A320-T495 WeakPolarHBondContact CA-OG1 3.39Å; A320-T495 HydrophobicContact CB-CG2 4.35Å; G321-T495 PolarHBondContact N-OG1 2.96Å; G321-T495 PolarHBondContact O-OG1 3.01Å; I493-T495 VanDerWaalsContact C-N 3.26Å; I493-T495 PolarHBondContact O-N 3.14Å; T495-N499 PolarHBondContact O-N 2.84Å; T495-N499 PolarHBondContact O-ND2 3.46Å
496	D	92.7	Very high	89.1	Confident	81 Å²	81	47 Å²	47	43%	0.433	25%	0.246	S	C	.	.	H	α-helix	trans	-73.3	-36.9	177.6	-65	-19.3	0	0	0	111.1	K323 I493 I494 G500	K323-D496 WeakPolarHBondContact CE-OD1 3.4Å; K323-D496 IonicContact NZ-OD1 3.75Å; K323-D496 PolarHBondContact NZ-OD1 3.23Å; K323-D496 IonicContact NZ-OD2 3.74Å; K323-D496 PolarHBondContact NZ-OD2 2.96Å; I493-D496 WeakPolarHBondContact O-CA 3.33Å; I493-D496 PolarHBondContact O-N 2.81Å; I494-D496 VanDerWaalsContact C-N 3.34Å; I494-D496 PolarHBondContact O-N 2.83Å; D496-G500 PolarHBondContact O-N 3.02Å
497	L	94	Very high	89.9	Confident	20 Å²	20	48.4 Å²	48.4	11%	0.105	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-42.4	174.9	-71.1	170	0	0	0	112.6	V489 I493 I494 G500 T504	V489-L497 HydrophobicContact CG1-CD1 4.19Å; I493-L497 HydrophobicContact CG2-CD1 4.34Å; I493-L497 HydrophobicContact CG2-CG 4.28Å; I493-L497 PolarHBondContact O-N 3.39Å; I494-L497 PolarHBondContact O-N 2.6Å; L497-G500 PolarHBondContact O-N 3.17Å; L497-G500 VanDerWaalsContact O-N 3.17Å; L497-T504 HydrophobicContact CD2-CG2 3.94Å; L497-T504 WeakPolarHBondContact O-CB 3.34Å; L497-T504 PolarHBondContact O-OG1 2.72Å
498	Q	96.1	Very high	90.6	Very high	11 Å²	11	47.1 Å²	47.1	5%	0.051	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-40.7	178.8	176	63.8	9.9	0	0	112	I335 L357 I494 G500 R505	I335-Q498 HydrophobicContact CB-CG 4.18Å; I335-Q498 HydrophobicContact CD1-CB 3.7Å; I335-Q498 HydrophobicContact CD1-CG 3.68Å; I335-Q498 HydrophobicContact CG2-CG 4.1Å; L357-Q498 PolarHBondContact O-NE2 2.82Å; I494-Q498 WeakPolarHBondContact O-CB 3.48Å; I494-Q498 PolarHBondContact O-N 2.62Å; Q498-G500 PolarHBondContact O-N 2.81Å; Q498-R505 PolarHBondContact O-NH1 2.94Å; Q498-R505 VanDerWaalsContact OE1-CD 3.25Å; Q498-R505 VanDerWaalsContact OE1-CG 3.3Å
499	N	95.2	Very high	91.3	Very high	127 Å²	127	45.5 Å²	45.5	68%	0.679	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.4	176.6	-72.7	-65.4	0	0	0	113.8	T495	T495-N499 PolarHBondContact O-N 2.84Å; T495-N499 PolarHBondContact O-ND2 3.46Å
500	G	93.9	Very high	91.8	Very high	37 Å²	37	48.1 Å²	48.1	38%	0.381	25%	0.252	S	S	.	.	S	Bend	trans	-77.9	-144.1	171.6	0	0	0	0	0	113.3	D496 L497 Q498 T504 R505	D496-G500 PolarHBondContact O-N 3.02Å; L497-G500 PolarHBondContact O-N 3.17Å; L497-G500 VanDerWaalsContact O-N 3.17Å; Q498-G500 PolarHBondContact O-N 2.81Å; G500-T504 WeakPolarHBondContact CA-OG1 3.39Å; G500-R505 PolarHBondContact O-NH1 2.76Å
501	N	96.2	Very high	92.6	Very high	85 Å²	85	46 Å²	46	46%	0.455	24%	0.241	S	C	.	.			trans	-90.8	-179	-179.5	64.7	16.5	0	0	0	112.3	Q503 T504 R505	N501-Q503 PolarHBondContact O-N 3.01Å; N501-Q503 PolarHBondContact OD1-N 3.42Å; N501-Q503 VanDerWaalsContact OD1-N 3.12Å; N501-T504 PolarHBondContact N-OG1 3.21Å; N501-T504 PolarHBondContact O-OG1 3.44Å; N501-T504 PolarHBondContact OD1-N 3Å; N501-T504 PolarHBondContact OD1-OG1 2.89Å; N501-R505 VanDerWaalsContact O-CZ 3.26Å; N501-R505 PolarHBondContact O-N 3.31Å; N501-R505 PolarHBondContact O-NH1 3.04Å
502	D	96.6	Very high	93.5	Very high	61 Å²	61	43.5 Å²	43.5	33%	0.326	23%	0.23	S	C	.	.	H	α-helix	trans	-58.3	-33.4	172.6	59.7	-33	0	0	0	113	A361 R506	A361-D502 HydrophobicContact CB-CB 4.24Å; D502-R506 WeakPolarHBondContact O-CB 3.49Å; D502-R506 PolarHBondContact O-N 2.89Å
503	Q	94.4	Very high	94.2	Very high	90 Å²	90	43.4 Å²	43.4	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-76.8	-36.4	-180	-51.2	-54.7	-30.5	0	0	113.1	N501 R505 R506 R507	N501-Q503 PolarHBondContact O-N 3.01Å; N501-Q503 PolarHBondContact OD1-N 3.42Å; N501-Q503 VanDerWaalsContact OD1-N 3.12Å; Q503-R505 VanDerWaalsContact C-N 3.33Å; Q503-R506 WeakPolarHBondContact O-CB 3.32Å; Q503-R506 PolarHBondContact O-N 2.97Å; Q503-R507 PolarHBondContact O-N 3.13Å
504	T	94.1	Very high	94.5	Very high	38 Å²	38	43.8 Å²	43.8	23%	0.233	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-35.8	171.3	53.3	0	0	0	0	111.2	L497 G500 N501 R507 L508	L497-T504 HydrophobicContact CD2-CG2 3.94Å; L497-T504 WeakPolarHBondContact O-CB 3.34Å; L497-T504 PolarHBondContact O-OG1 2.72Å; G500-T504 WeakPolarHBondContact CA-OG1 3.39Å; N501-T504 PolarHBondContact N-OG1 3.21Å; N501-T504 PolarHBondContact O-OG1 3.44Å; N501-T504 PolarHBondContact OD1-N 3Å; N501-T504 PolarHBondContact OD1-OG1 2.89Å; T504-R507 PolarHBondContact O-N 2.66Å; T504-L508 PolarHBondContact O-N 3.29Å; T504-L508 VanDerWaalsContact O-N 3.12Å
505	R	96.8	Very high	94.6	Very high	21 Å²	21	44 Å²	44	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-35.5	169.2	-73.2	-169.5	-67.8	-75.2	-6.9	112.9	Q336 P359 C360 Q498 G500 N501 Q503 L508 A509	Q336-R505 PolarHBondContact NE2-O 3.33Å; Q336-R505 VanDerWaalsContact NE2-O 3.08Å; P359-R505 VanDerWaalsContact O-CZ 3.31Å; P359-R505 PolarHBondContact O-NE 2.91Å; P359-R505 PolarHBondContact O-NH2 3.08Å; C360-R505 HydrophobicContact CB-CB 4.49Å; Q498-R505 PolarHBondContact O-NH1 2.94Å; Q498-R505 VanDerWaalsContact OE1-CD 3.25Å; Q498-R505 VanDerWaalsContact OE1-CG 3.3Å; G500-R505 PolarHBondContact O-NH1 2.76Å; N501-R505 VanDerWaalsContact O-CZ 3.26Å; N501-R505 PolarHBondContact O-N 3.31Å; N501-R505 PolarHBondContact O-NH1 3.04Å; Q503-R505 VanDerWaalsContact C-N 3.33Å; R505-L508 PolarHBondContact O-N 3.38Å; R505-A509 WeakPolarHBondContact O-CB 3.37Å; R505-A509 PolarHBondContact O-N 2.88Å
506	R	96	Very high	94.8	Very high	92 Å²	92	42.8 Å²	42.8	35%	0.347	22%	0.221	S	C	.	.	H	α-helix	trans	-64.9	-42.9	173.2	-175.8	-176	175.8	-88.3	3.1	112.2	C360 A361 P362 I363 D502 Q503 L508 A509 V510	C360-R506 VanDerWaalsContact SG-CA 3.56Å; C360-R506 PolarHBondContact SG-N 3.31Å; A361-R506 HydrophobicContact CB-CB 4.31Å; P362-R506 PolarHBondContact O-NE 3.35Å; I363-R506 HydrophobicContact CD1-CG 4.31Å; I363-R506 HydrophobicContact CG1-CG 3.85Å; D502-R506 WeakPolarHBondContact O-CB 3.49Å; D502-R506 PolarHBondContact O-N 2.89Å; Q503-R506 WeakPolarHBondContact O-CB 3.32Å; Q503-R506 PolarHBondContact O-N 2.97Å; R506-L508 VanDerWaalsContact C-N 3.32Å; R506-L508 PolarHBondContact O-N 3.3Å; R506-A509 PolarHBondContact O-N 3.25Å; R506-V510 WeakPolarHBondContact O-CG2 3.35Å; R506-V510 PolarHBondContact O-N 3.44Å
507	R	93.5	Very high	95	Very high	44 Å²	44	41.4 Å²	41.4	17%	0.166	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-42.4	172.8	179.6	170.7	174	176.8	-7.9	111.4	E487 Q503 T504 V510 Y511 Q1038 E1043 D1044	E487-R507 VanDerWaalsContact CD-NH2 3.31Å; E487-R507 IonicContact OE1-NH2 2.98Å; E487-R507 PolarHBondContact OE1-NH2 3.23Å; E487-R507 VanDerWaalsContact OE1-NH2 3.13Å; E487-R507 IonicContact OE2-CZ 3.55Å; E487-R507 IonicContact OE2-NE 2.99Å; E487-R507 IonicContact OE2-NH2 2.67Å; E487-R507 PolarHBondContact OE2-NH2 3.47Å; Q503-R507 PolarHBondContact O-N 3.13Å; T504-R507 PolarHBondContact O-N 2.66Å; R507-V510 PolarHBondContact O-N 3.25Å; R507-Y511 PolarHBondContact O-N 3.32Å; R507-Q1038 VanDerWaalsContact NH2-NE2 3.19Å; R507-E1043 VanDerWaalsContact CD-OE2 3.29Å; R507-E1043 WeakPolarHBondContact CD-OE2 3.28Å; R507-E1043 IonicContact CZ-OE2 3.31Å; R507-E1043 IonicContact NE-OE2 2.77Å; R507-E1043 IonicContact NH1-OE2 2.89Å; R507-E1043 PolarHBondContact NH1-OE2 2.85Å; R507-D1044 PolarHBondContact NH1-O 2.93Å; R507-D1044 VanDerWaalsContact NH1-O 3.14Å; R507-D1044 PolarHBondContact NH2-O 3.23Å
508	L	94.7	Very high	95	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-40.7	175.1	-174.5	62.9	0	0	0	112.3	E318 I335 Q336 I494 T504 R505 R506 V510 Y511 C512	E318-L508 HydrophobicContact CG-CD1 4.07Å; E318-L508 HydrophobicContact CG-CG 4.23Å; I335-L508 HydrophobicContact CD1-CD2 3.73Å; Q336-L508 HydrophobicContact CG-CD2 4.47Å; I494-L508 HydrophobicContact CG1-CD1 4.43Å; I494-L508 HydrophobicContact CG2-CD1 3.87Å; I494-L508 HydrophobicContact CG2-CD2 3.79Å; T504-L508 PolarHBondContact O-N 3.29Å; T504-L508 VanDerWaalsContact O-N 3.12Å; R505-L508 PolarHBondContact O-N 3.38Å; R506-L508 VanDerWaalsContact C-N 3.32Å; R506-L508 PolarHBondContact O-N 3.3Å; L508-V510 PolarHBondContact O-N 3.45Å; L508-Y511 HydrophobicContact CD1-CD1 4.43Å; L508-Y511 WeakPolarHBondContact O-CB 3.38Å; L508-Y511 PolarHBondContact O-N 3.06Å; L508-Y511 VanDerWaalsContact O-N 3.16Å; L508-C512 PolarHBondContact O-N 2.92Å
509	A	95.9	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.9	-35	177.3	0	0	0	0	0	112.6	I363 R505 R506 Y511 L513	I363-A509 HydrophobicContact CD1-CB 3.72Å; R505-A509 WeakPolarHBondContact O-CB 3.37Å; R505-A509 PolarHBondContact O-N 2.88Å; R506-A509 PolarHBondContact O-N 3.25Å; A509-Y511 VanDerWaalsContact C-N 3.35Å; A509-L513 VanDerWaalsContact O-CB 3.22Å; A509-L513 WeakPolarHBondContact O-CB 3.33Å; A509-L513 VanDerWaalsContact O-CG 3.24Å; A509-L513 WeakPolarHBondContact O-CG 3.43Å; A509-L513 PolarHBondContact O-N 3.4Å
510	V	93.9	Very high	95.1	Very high	68 Å²	68	34 Å²	34	41%	0.412	17%	0.171	S	C	.	.	H	α-helix	trans	-66.7	-36.2	171	172.4	0	0	0	0	111.5	I363 R506 R507 L508 K514	I363-V510 HydrophobicContact CD1-CG2 3.89Å; I363-V510 HydrophobicContact CG1-CG2 4.23Å; I363-V510 HydrophobicContact CG2-CG2 4.27Å; R506-V510 WeakPolarHBondContact O-CG2 3.35Å; R506-V510 PolarHBondContact O-N 3.44Å; R507-V510 PolarHBondContact O-N 3.25Å; L508-V510 PolarHBondContact O-N 3.45Å; V510-K514 WeakPolarHBondContact O-CB 3.39Å; V510-K514 PolarHBondContact O-N 3.38Å
511	Y	92.8	Very high	95.1	Very high	36 Å²	36	35.7 Å²	35.7	14%	0.141	17%	0.166	C	C	.	.	H	α-helix	trans	-64.3	-51.8	173.7	172.7	-81.1	0	0	0	111.7	E318 K486 E487 V489 R507 L508 A509 L513 K514 D515	E318-Y511 WeakPolarHBondContact OE1-CD1 3.49Å; E318-Y511 WeakPolarHBondContact OE1-CE1 3.39Å; K486-Y511 PolarHBondContact NZ-OH 3.25Å; E487-Y511 VanDerWaalsContact O-CE2 3.28Å; E487-Y511 WeakPolarHBondContact O-CE2 3.47Å; V489-Y511 HydrophobicContact CB-CD2 4.5Å; V489-Y511 HydrophobicContact CB-CE2 4.01Å; V489-Y511 HydrophobicContact CG2-CD2 3.78Å; V489-Y511 HydrophobicContact CG2-CE2 3.66Å; R507-Y511 PolarHBondContact O-N 3.32Å; L508-Y511 HydrophobicContact CD1-CD1 4.43Å; L508-Y511 WeakPolarHBondContact O-CB 3.38Å; L508-Y511 PolarHBondContact O-N 3.06Å; L508-Y511 VanDerWaalsContact O-N 3.16Å; A509-Y511 VanDerWaalsContact C-N 3.35Å; Y511-L513 PolarHBondContact O-N 3.11Å; Y511-K514 WeakPolarHBondContact O-CA 3.34Å; Y511-K514 VanDerWaalsContact O-CB 3.31Å; Y511-K514 WeakPolarHBondContact O-CB 3.19Å; Y511-K514 PolarHBondContact O-N 3.37Å; Y511-D515 PolarHBondContact O-N 3.17Å
512	C	95.7	Very high	95.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68	-35	179.8	-176	0	0	0	0	112.1	D316 E318 C338 L508 K514 D515 A516	D316-C512 PolarHBondContact OD2-SG 2.95Å; E318-C512 HydrophobicContact CG-CB 3.82Å; C338-C512 HydrophobicContact CB-CB 4.19Å; C338-C512 VanDerWaalsContact CB-SG 3.54Å; C338-C512 VanDerWaalsContact SG-CB 3.6Å; L508-C512 PolarHBondContact O-N 2.92Å; C512-K514 VanDerWaalsContact C-N 3.27Å; C512-K514 PolarHBondContact O-N 3.09Å; C512-D515 PolarHBondContact O-N 3.27Å; C512-A516 VanDerWaalsContact O-CB 3.32Å; C512-A516 WeakPolarHBondContact O-CB 3.19Å; C512-A516 PolarHBondContact O-N 3.06Å
513	L	95.4	Very high	95	Very high	18 Å²	18	29 Å²	29	9%	0.094	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-32.4	168.4	-80.9	168.9	0	0	0	112.8	C338 L340 A354 I363 A366 A509 Y511 Y517	C338-L513 HydrophobicContact CB-CD2 4.01Å; C338-L513 HydrophobicContact CB-CG 4.1Å; L340-L513 HydrophobicContact CD1-CD2 3.98Å; A354-L513 HydrophobicContact CB-CD1 4.2Å; A354-L513 HydrophobicContact CB-CD2 4.47Å; A354-L513 HydrophobicContact CB-CG 4.32Å; I363-L513 HydrophobicContact CD1-CD1 4.05Å; I363-L513 HydrophobicContact CG2-CD1 4.34Å; A366-L513 HydrophobicContact CB-CD1 3.96Å; A509-L513 VanDerWaalsContact O-CB 3.22Å; A509-L513 WeakPolarHBondContact O-CB 3.33Å; A509-L513 VanDerWaalsContact O-CG 3.24Å; A509-L513 WeakPolarHBondContact O-CG 3.43Å; A509-L513 PolarHBondContact O-N 3.4Å; Y511-L513 PolarHBondContact O-N 3.11Å; L513-Y517 WeakPolarHBondContact O-CB 3.43Å; L513-Y517 PolarHBondContact O-N 2.94Å
514	K	92.9	Very high	94.8	Very high	55 Å²	55	28.4 Å²	28.4	24%	0.239	13%	0.127	C	C	.	.	H	α-helix	trans	-72.6	-44.2	176.5	179.7	58.5	172	-174.3	0	111.2	E484 V510 Y511 C512 Y517 L518	E484-K514 WeakPolarHBondContact OE1-CE 3.4Å; E484-K514 IonicContact OE1-NZ 3.85Å; E484-K514 PolarHBondContact OE1-NZ 3.18Å; E484-K514 IonicContact OE2-NZ 3.54Å; E484-K514 PolarHBondContact OE2-NZ 3.06Å; V510-K514 WeakPolarHBondContact O-CB 3.39Å; V510-K514 PolarHBondContact O-N 3.38Å; Y511-K514 WeakPolarHBondContact O-CA 3.34Å; Y511-K514 VanDerWaalsContact O-CB 3.31Å; Y511-K514 WeakPolarHBondContact O-CB 3.19Å; Y511-K514 PolarHBondContact O-N 3.37Å; C512-K514 VanDerWaalsContact C-N 3.27Å; C512-K514 PolarHBondContact O-N 3.09Å; K514-Y517 PolarHBondContact O-N 3.32Å; K514-Y517 VanDerWaalsContact O-N 3.14Å; K514-L518 HydrophobicContact CD-CG 4.42Å; K514-L518 HydrophobicContact CG-CD1 4.4Å; K514-L518 WeakPolarHBondContact O-CG 3.43Å; K514-L518 PolarHBondContact O-N 2.94Å; K514-L518 VanDerWaalsContact O-N 3.1Å
515	D	94.1	Very high	94.7	Very high	13 Å²	13	31.8 Å²	31.8	7%	0.07	14%	0.136	C	C	.	.	H	α-helix	trans	-68.1	-40.2	179.4	-78	23.7	0	0	0	111.2	L474 K486 Y511 C512 Y517 L518 P519	L474-D515 HydrophobicContact CD2-CB 4.16Å; K486-D515 VanDerWaalsContact CD-OD1 3.31Å; K486-D515 WeakPolarHBondContact CD-OD1 3.43Å; K486-D515 VanDerWaalsContact CE-OD1 3.23Å; K486-D515 WeakPolarHBondContact CE-OD1 3.4Å; K486-D515 WeakPolarHBondContact CE-OD2 3.48Å; K486-D515 IonicContact NZ-OD1 2.74Å; K486-D515 PolarHBondContact NZ-OD1 3.22Å; K486-D515 IonicContact NZ-OD2 3.46Å; K486-D515 PolarHBondContact NZ-OD2 3.38Å; Y511-D515 PolarHBondContact O-N 3.17Å; C512-D515 PolarHBondContact O-N 3.27Å; D515-Y517 VanDerWaalsContact C-N 3.25Å; D515-Y517 PolarHBondContact O-N 3.18Å; D515-L518 PolarHBondContact O-N 2.85Å; D515-P519 WeakPolarHBondContact O-CD 3.46Å
516	A	96.2	Very high	94.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.2	-29.4	169.5	0	0	0	0	0	113.7	S314 D316 C338 L340 C512	S314-A516 WeakPolarHBondContact CB-O 3.32Å; S314-A516 PolarHBondContact OG-O 3.1Å; D316-A516 HydrophobicContact CB-CB 3.74Å; C338-A516 HydrophobicContact CB-CB 4.32Å; L340-A516 HydrophobicContact CD1-CB 3.57Å; C512-A516 VanDerWaalsContact O-CB 3.32Å; C512-A516 WeakPolarHBondContact O-CB 3.19Å; C512-A516 PolarHBondContact O-N 3.06Å
517	Y	95.9	Very high	94.1	Very high	51 Å²	51	28 Å²	28	20%	0.2	12%	0.123	C	C	.	.	H	α-helix	trans	-85	-30.8	-177.7	-174.7	-149.6	0	0	0	113.9	L340 P349 L513 K514 D515 L520 R521	L340-Y517 HydrophobicContact CD2-CD2 3.69Å; L340-Y517 HydrophobicContact CD2-CG 3.76Å; P349-Y517 HydrophobicContact CG-CE2 4.3Å; L513-Y517 WeakPolarHBondContact O-CB 3.43Å; L513-Y517 PolarHBondContact O-N 2.94Å; K514-Y517 PolarHBondContact O-N 3.32Å; K514-Y517 VanDerWaalsContact O-N 3.14Å; D515-Y517 VanDerWaalsContact C-N 3.25Å; D515-Y517 PolarHBondContact O-N 3.18Å; Y517-L520 HydrophobicContact CD2-CB 4.42Å; Y517-L520 HydrophobicContact CD2-CD1 4.3Å; Y517-L520 PolarHBondContact O-N 2.9Å; Y517-R521 HydrophobicContact CD2-CG 4.23Å; Y517-R521 HydrophobicContact CE1-CG 4.43Å; Y517-R521 HydrophobicContact CE2-CG 3.77Å; Y517-R521 PolarHBondContact O-N 3.18Å
518	L	95.7	Very high	94	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-60.3	-39.7	-177.3	-74.9	168	0	0	0	114	L474 L482 K486 K514 D515 L520 R521 L522	L474-L518 HydrophobicContact CD1-CB 4.03Å; L474-L518 HydrophobicContact CD2-CB 4.3Å; L474-L518 HydrophobicContact CD2-CD1 4.13Å; L474-L518 HydrophobicContact CG-CB 4.4Å; L474-L518 HydrophobicContact CG-CD1 4.2Å; L482-L518 HydrophobicContact CD1-CD2 3.78Å; K486-L518 HydrophobicContact CB-CD1 4.49Å; K486-L518 HydrophobicContact CD-CD1 4.03Å; K514-L518 HydrophobicContact CD-CG 4.42Å; K514-L518 HydrophobicContact CG-CD1 4.4Å; K514-L518 WeakPolarHBondContact O-CG 3.43Å; K514-L518 PolarHBondContact O-N 2.94Å; K514-L518 VanDerWaalsContact O-N 3.1Å; D515-L518 PolarHBondContact O-N 2.85Å; L518-L520 PolarHBondContact O-N 3.29Å; L518-R521 PolarHBondContact O-N 2.98Å; L518-L522 WeakPolarHBondContact O-CG 3.3Å; L518-L522 PolarHBondContact O-N 3.18Å
519	P	96.6	Very high	93.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-59.7	-38.6	174.3	-28.9	36.9	0	0	0	114.3	M459 D515 L522 L523	M459-P519 HydrophobicContact CG-CB 4.33Å; D515-P519 WeakPolarHBondContact O-CD 3.46Å; P519-L522 PolarHBondContact O-N 3.37Å; P519-L523 WeakPolarHBondContact O-CB 3.44Å; P519-L523 PolarHBondContact O-N 3.22Å
520	L	95.8	Very high	93.6	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.1	-52	176	-65.7	171.4	0	0	0	110.4	V312 S314 L340 L342 T394 Y517 L518 L522 L523 E524	V312-L520 HydrophobicContact CG1-CD2 3.87Å; S314-L520 VanDerWaalsContact CB-CG 3.45Å; L340-L520 HydrophobicContact CB-CD1 3.76Å; L342-L520 HydrophobicContact CD2-CB 4.31Å; L342-L520 HydrophobicContact CD2-CD1 4.27Å; L342-L520 HydrophobicContact CD2-CD2 3.93Å; L342-L520 HydrophobicContact CD2-CG 4.39Å; L342-L520 HydrophobicContact CG-CD2 4.45Å; T394-L520 HydrophobicContact CG2-CD2 3.75Å; Y517-L520 HydrophobicContact CD2-CB 4.42Å; Y517-L520 HydrophobicContact CD2-CD1 4.3Å; Y517-L520 PolarHBondContact O-N 2.9Å; L518-L520 PolarHBondContact O-N 3.29Å; L520-L522 PolarHBondContact O-N 3.32Å; L520-L523 WeakPolarHBondContact O-CB 3.42Å; L520-L523 PolarHBondContact O-N 2.99Å; L520-E524 WeakPolarHBondContact O-CG 3.48Å; L520-E524 PolarHBondContact O-N 3.48Å
521	R	94.6	Very high	93.3	Very high	74 Å²	74	27.4 Å²	27.4	28%	0.279	12%	0.123	S	C	.	.	H	α-helix	trans	-61.4	-31.4	178.9	-67.4	178	69.7	-142.1	12.2	112.8	L482 E484 Y517 L518 R525	L482-R521 HydrophobicContact CD1-CB 4.13Å; E484-R521 IonicContact OE2-CZ 3.27Å; E484-R521 IonicContact OE2-NH1 3.47Å; E484-R521 PolarHBondContact OE2-NH1 3.4Å; Y517-R521 HydrophobicContact CD2-CG 4.23Å; Y517-R521 HydrophobicContact CE1-CG 4.43Å; Y517-R521 HydrophobicContact CE2-CG 3.77Å; Y517-R521 PolarHBondContact O-N 3.18Å; L518-R521 PolarHBondContact O-N 2.98Å; R521-R525 WeakPolarHBondContact O-CB 3.4Å; R521-R525 PolarHBondContact O-N 2.9Å; R521-R525 VanDerWaalsContact O-N 3.09Å
522	L	94.8	Very high	93.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-73.3	-42.7	173.1	-70.6	167.2	0	0	0	112	M459 L474 V477 F481 L482 L518 P519 L520 L526	M459-L522 HydrophobicContact CE-CB 3.77Å; L474-L522 HydrophobicContact CD1-CD1 4.11Å; V477-L522 HydrophobicContact CG2-CD1 3.92Å; F481-L522 HydrophobicContact CB-CD2 3.98Å; F481-L522 HydrophobicContact CD2-CD2 3.93Å; F481-L522 HydrophobicContact CG-CD2 4.38Å; L482-L522 HydrophobicContact CD1-CD2 4.19Å; L482-L522 HydrophobicContact CD1-CG 4.24Å; L482-L522 HydrophobicContact CD2-CD2 4Å; L482-L522 HydrophobicContact CG-CD2 3.89Å; L482-L522 HydrophobicContact CG-CG 4.46Å; L518-L522 WeakPolarHBondContact O-CG 3.3Å; L518-L522 PolarHBondContact O-N 3.18Å; P519-L522 PolarHBondContact O-N 3.37Å; L520-L522 PolarHBondContact O-N 3.32Å; L522-L526 VanDerWaalsContact O-CB 3.27Å; L522-L526 WeakPolarHBondContact O-CB 3.3Å; L522-L526 WeakPolarHBondContact O-CG 3.21Å; L522-L526 PolarHBondContact O-N 3.35Å
523	L	94.7	Very high	93	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-58.4	-47.6	177	-175.1	85.9	0	0	0	111.2	V312 M459 P519 L520 M527 V528	V312-L523 HydrophobicContact CG1-CD2 4.01Å; M459-L523 HydrophobicContact SD-CB 4.13Å; M459-L523 HydrophobicContact SD-CD1 3.72Å; P519-L523 WeakPolarHBondContact O-CB 3.44Å; P519-L523 PolarHBondContact O-N 3.22Å; L520-L523 WeakPolarHBondContact O-CB 3.42Å; L520-L523 PolarHBondContact O-N 2.99Å; L523-M527 PolarHBondContact O-N 3.26Å; L523-V528 HydrophobicContact CD1-CB 3.82Å; L523-V528 HydrophobicContact CD1-CG1 3.95Å; L523-V528 HydrophobicContact CG-CB 4.37Å; L523-V528 PolarHBondContact O-N 2.89Å
524	E	91.8	Very high	92.6	Very high	77 Å²	77	28.1 Å²	28.1	36%	0.36	13%	0.131	S	C	.	.	H	α-helix	trans	-69	-53.4	-179.9	-65.4	168.9	132.1	0	0	111.8	L342 L520 L526 M527	L342-E524 WeakPolarHBondContact CD2-OE1 3.32Å; L520-E524 WeakPolarHBondContact O-CG 3.48Å; L520-E524 PolarHBondContact O-N 3.48Å; E524-L526 VanDerWaalsContact C-N 3.28Å; E524-L526 PolarHBondContact O-N 3.26Å; E524-M527 WeakPolarHBondContact O-CA 3.47Å; E524-M527 PolarHBondContact O-N 3.27Å
525	R	90.4	Very high	92.3	Very high	108 Å²	108	27.4 Å²	27.4	41%	0.408	13%	0.128	S	C	.	.	H	α-helix	trans	-73.6	-19.2	-172.2	-166	155.9	170.3	-80.2	9.9	113.2	F481 L482 R521 L681	F481-R525 PolarHBondContact O-NH1 3.15Å; L482-R525 HydrophobicContact CD2-CB 4.42Å; R521-R525 WeakPolarHBondContact O-CB 3.4Å; R521-R525 PolarHBondContact O-N 2.9Å; R521-R525 VanDerWaalsContact O-N 3.09Å; R525-L681 HydrophobicContact CG-CD2 3.55Å; R525-L681 WeakPolarHBondContact O-CD2 3.31Å
526	L	90.5	Very high	92.2	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.037	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	6.6	167.5	-56.4	178	0	0	0	113	L463 Y467 F481 L522 E524 V528 V685	L463-L526 HydrophobicContact CD2-CD1 3.81Å; Y467-L526 HydrophobicContact CE2-CD1 4.23Å; F481-L526 HydrophobicContact CD1-CD2 3.83Å; F481-L526 HydrophobicContact CD2-CD1 4.05Å; F481-L526 HydrophobicContact CE1-CD2 4.11Å; F481-L526 HydrophobicContact CE2-CD1 4.02Å; F481-L526 HydrophobicContact CG-CD1 4.33Å; F481-L526 HydrophobicContact CG-CD2 4.13Å; F481-L526 HydrophobicContact CZ-CD1 4.26Å; L522-L526 VanDerWaalsContact O-CB 3.27Å; L522-L526 WeakPolarHBondContact O-CB 3.3Å; L522-L526 WeakPolarHBondContact O-CG 3.21Å; L522-L526 PolarHBondContact O-N 3.35Å; E524-L526 VanDerWaalsContact C-N 3.28Å; E524-L526 PolarHBondContact O-N 3.26Å; L526-V528 HydrophobicContact CB-CG2 3.87Å; L526-V528 PolarHBondContact O-N 2.94Å; L526-V528 VanDerWaalsContact O-N 3.1Å; L526-V685 HydrophobicContact CD2-CG2 4.36Å; L526-V685 WeakPolarHBondContact O-CG1 3.5Å
527	M	89.8	Confident	91.9	Very high	27 Å²	27	28.2 Å²	28.2	13%	0.133	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	33	179.5	-53	172.7	57.9	0	0	114	L523 E524 L529 V530 N531 V685	L523-M527 PolarHBondContact O-N 3.26Å; E524-M527 WeakPolarHBondContact O-CA 3.47Å; E524-M527 PolarHBondContact O-N 3.27Å; M527-L529 PolarHBondContact O-N 3.06Å; M527-V530 HydrophobicContact CB-CB 4.43Å; M527-V530 HydrophobicContact CE-CG1 4.46Å; M527-V530 PolarHBondContact O-N 2.85Å; M527-N531 PolarHBondContact O-N 3.45Å; M527-N531 PolarHBondContact O-ND2 3.06Å; M527-V685 HydrophobicContact CB-CG1 3.79Å; M527-V685 HydrophobicContact CG-CG1 3.94Å; M527-V685 HydrophobicContact SD-CB 4.47Å; M527-V685 HydrophobicContact SD-CG1 3.84Å
528	V	91.5	Very high	91.4	Very high	16 Å²	16	27.5 Å²	27.5	10%	0.097	13%	0.131	C	C	.	.	H	α-helix	trans	-58.8	-46.2	-168.1	176.7	0	0	0	0	111.7	M457 M459 V462 L523 L526 N531 A532	M457-V528 HydrophobicContact CE-CG1 3.86Å; M459-V528 HydrophobicContact CE-CG2 4.03Å; M459-V528 HydrophobicContact SD-CG1 4.47Å; M459-V528 HydrophobicContact SD-CG2 4.15Å; V462-V528 HydrophobicContact CG1-CG1 3.84Å; V462-V528 HydrophobicContact CG1-CG2 4.19Å; V462-V528 HydrophobicContact CG2-CG1 4.13Å; L523-V528 HydrophobicContact CD1-CB 3.82Å; L523-V528 HydrophobicContact CD1-CG1 3.95Å; L523-V528 HydrophobicContact CG-CB 4.37Å; L523-V528 PolarHBondContact O-N 2.89Å; L526-V528 HydrophobicContact CB-CG2 3.87Å; L526-V528 PolarHBondContact O-N 2.94Å; L526-V528 VanDerWaalsContact O-N 3.1Å; V528-N531 PolarHBondContact O-N 2.95Å; V528-A532 VanDerWaalsContact O-CB 3.3Å; V528-A532 WeakPolarHBondContact O-CB 3.47Å; V528-A532 PolarHBondContact O-N 2.75Å
529	L	92.4	Very high	91	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-65.2	-41.5	-178.8	-168.2	151.6	0	0	0	111.5	L310 V312 V392 M527 A532 V533	L310-L529 HydrophobicContact CD1-CD1 4.31Å; L310-L529 HydrophobicContact CD1-CD2 4.22Å; V312-L529 HydrophobicContact CG2-CD1 4.27Å; V392-L529 HydrophobicContact CG2-CD1 4.32Å; M527-L529 PolarHBondContact O-N 3.06Å; L529-A532 PolarHBondContact O-N 2.92Å; L529-V533 HydrophobicContact CD2-CG2 3.9Å; L529-V533 WeakPolarHBondContact O-CB 3.31Å; L529-V533 VanDerWaalsContact O-CG2 3.31Å; L529-V533 WeakPolarHBondContact O-CG2 3.45Å; L529-V533 PolarHBondContact O-N 3.37Å
530	V	89.6	Confident	90.7	Very high	46 Å²	46	27.8 Å²	27.8	28%	0.279	13%	0.134	S	C	.	.	H	α-helix	trans	-62.6	-49.3	177.3	179.7	0	0	0	0	111	W344 M527 A532 V533 E534	W344-V530 HydrophobicContact CZ2-CG2 3.68Å; M527-V530 HydrophobicContact CB-CB 4.43Å; M527-V530 HydrophobicContact CE-CG1 4.46Å; M527-V530 PolarHBondContact O-N 2.85Å; V530-A532 VanDerWaalsContact C-N 3.27Å; V530-A532 PolarHBondContact O-N 2.9Å; V530-V533 PolarHBondContact O-N 2.68Å; V530-E534 PolarHBondContact O-N 2.86Å
531	N	87.9	Confident	90.6	Very high	36 Å²	36	27.8 Å²	27.8	19%	0.193	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-35.8	178.4	-69.9	-37.7	0	0	0	111.6	M527 V528 M535 R689	M527-N531 PolarHBondContact O-N 3.45Å; M527-N531 PolarHBondContact O-ND2 3.06Å; V528-N531 PolarHBondContact O-N 2.95Å; N531-M535 WeakPolarHBondContact O-CB 3.26Å; N531-M535 PolarHBondContact O-N 3.4Å; N531-M535 VanDerWaalsContact O-N 3.07Å; N531-R689 WeakPolarHBondContact OD1-CD 3.44Å
532	A	91.3	Very high	90.7	Very high	16 Å²	16	24.6 Å²	24.6	13%	0.132	12%	0.123	C	C	.	.	H	α-helix	trans	-71	-44.1	175.7	0	0	0	0	0	112.5	M457 V528 L529 V530 M535 A536 L543 L546	M457-A532 HydrophobicContact CE-CB 4.27Å; V528-A532 VanDerWaalsContact O-CB 3.3Å; V528-A532 WeakPolarHBondContact O-CB 3.47Å; V528-A532 PolarHBondContact O-N 2.75Å; L529-A532 PolarHBondContact O-N 2.92Å; V530-A532 VanDerWaalsContact C-N 3.27Å; V530-A532 PolarHBondContact O-N 2.9Å; A532-M535 PolarHBondContact O-N 3.38Å; A532-A536 WeakPolarHBondContact O-CB 3.32Å; A532-A536 PolarHBondContact O-N 3.17Å; A532-L543 HydrophobicContact CB-CD1 3.7Å; A532-L546 HydrophobicContact CB-CD1 4.16Å; A532-L546 WeakPolarHBondContact O-CD1 3.45Å
533	V	91.4	Very high	90.6	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-60.8	-45.7	176	166.7	0	0	0	0	111.4	C263 I307 L529 V530 A536 R537	C263-V533 HydrophobicContact CB-CB 4.37Å; C263-V533 HydrophobicContact CB-CG1 3.81Å; C263-V533 HydrophobicContact CB-CG2 4.21Å; I307-V533 HydrophobicContact CD1-CB 4.21Å; I307-V533 HydrophobicContact CD1-CG1 3.76Å; I307-V533 HydrophobicContact CD1-CG2 4.39Å; I307-V533 HydrophobicContact CG1-CG1 4.09Å; L529-V533 HydrophobicContact CD2-CG2 3.9Å; L529-V533 WeakPolarHBondContact O-CB 3.31Å; L529-V533 VanDerWaalsContact O-CG2 3.31Å; L529-V533 WeakPolarHBondContact O-CG2 3.45Å; L529-V533 PolarHBondContact O-N 3.37Å; V530-V533 PolarHBondContact O-N 2.68Å; V533-A536 PolarHBondContact O-N 2.91Å; V533-R537 WeakPolarHBondContact O-CG 3.43Å; V533-R537 PolarHBondContact O-N 3.29Å
534	E	86.9	Confident	90.5	Very high	50 Å²	50	26.3 Å²	26.3	23%	0.234	13%	0.134	C	C	.	.	H	α-helix	trans	-63.8	-45.8	176.3	-173.3	-172.2	-138.7	0	0	111.4	V530 A536 R537 V538 R689	V530-E534 PolarHBondContact O-N 2.86Å; E534-A536 VanDerWaalsContact C-N 3.28Å; E534-A536 PolarHBondContact O-N 2.84Å; E534-R537 PolarHBondContact O-N 3Å; E534-V538 HydrophobicContact CG-CG2 4.03Å; E534-V538 WeakPolarHBondContact O-CB 3.48Å; E534-V538 WeakPolarHBondContact O-CG2 3.42Å; E534-V538 PolarHBondContact O-N 3.03Å; E534-R689 IonicContact OE1-CZ 3.79Å; E534-R689 IonicContact OE1-NE 3.38Å; E534-R689 IonicContact OE1-NH2 2.7Å; E534-R689 PolarHBondContact OE1-NH2 2.67Å; E534-R689 IonicContact OE2-CZ 2.68Å; E534-R689 IonicContact OE2-NE 3.1Å; E534-R689 PolarHBondContact OE2-NE 3.08Å; E534-R689 IonicContact OE2-NH2 2.69Å; E534-R689 PolarHBondContact OE2-NH2 2.81Å
535	M	86.5	Confident	90.5	Very high	39 Å²	39	24.2 Å²	24.2	19%	0.192	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-38.5	177.6	-179.3	65.4	51.6	0	0	111.9	N531 A532 T539 L546 K554 A692 L693	N531-M535 WeakPolarHBondContact O-CB 3.26Å; N531-M535 PolarHBondContact O-N 3.4Å; N531-M535 VanDerWaalsContact O-N 3.07Å; A532-M535 PolarHBondContact O-N 3.38Å; M535-T539 WeakPolarHBondContact O-CB 3.44Å; M535-T539 PolarHBondContact O-N 3.14Å; M535-T539 PolarHBondContact O-OG1 2.64Å; M535-T539 HydrophobicContact SD-CG2 3.92Å; M535-L546 HydrophobicContact CB-CD1 3.81Å; M535-L546 HydrophobicContact CG-CD1 3.81Å; M535-L546 HydrophobicContact CG-CD2 3.72Å; M535-L546 HydrophobicContact CG-CG 4.44Å; M535-K554 HydrophobicContact SD-CD 4.32Å; M535-K554 PolarHBondContact SD-NZ 2.83Å; M535-K554 VanDerWaalsContact SD-NZ 3.36Å; M535-A692 HydrophobicContact CE-CB 4.09Å; M535-L693 HydrophobicContact CE-CD2 4.43Å
536	A	91.8	Very high	90.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.1	-42.6	176.6	0	0	0	0	0	112	A532 V533 E534 G540 V541 L543 L546	A532-A536 WeakPolarHBondContact O-CB 3.32Å; A532-A536 PolarHBondContact O-N 3.17Å; V533-A536 PolarHBondContact O-N 2.91Å; E534-A536 VanDerWaalsContact C-N 3.28Å; E534-A536 PolarHBondContact O-N 2.84Å; A536-G540 WeakPolarHBondContact O-CA 3.31Å; A536-G540 PolarHBondContact O-N 3.32Å; A536-V541 PolarHBondContact O-N 2.73Å; A536-L543 HydrophobicContact CB-CD1 4.49Å; A536-L546 HydrophobicContact CB-CD1 4.04Å
537	R	90.4	Very high	90.3	Very high	30 Å²	30	21.7 Å²	21.7	11%	0.113	12%	0.118	C	C	.	.	H	α-helix	trans	-64.6	-50.5	175	-72.5	170.8	168.5	-176.3	-3.7	112.2	Q97 V261 G262 C263 P300 Q305 R306 V533 E534 T539	Q97-R537 VanDerWaalsContact NE2-NH2 3.14Å; V261-R537 HydrophobicContact CG2-CG 4.41Å; G262-R537 WeakPolarHBondContact O-CG 3.3Å; C263-R537 PolarHBondContact O-NE 2.93Å; C263-R537 PolarHBondContact O-NH2 3.15Å; C263-R537 VanDerWaalsContact O-NH2 3.13Å; P300-R537 HydrophobicContact CB-CG 4.17Å; P300-R537 HydrophobicContact CG-CB 4.11Å; P300-R537 HydrophobicContact CG-CG 4.02Å; Q305-R537 PolarHBondContact O-NH1 3.32Å; R306-R537 PolarHBondContact O-NH2 3.13Å; V533-R537 WeakPolarHBondContact O-CG 3.43Å; V533-R537 PolarHBondContact O-N 3.29Å; E534-R537 PolarHBondContact O-N 3Å; R537-T539 VanDerWaalsContact C-N 3.34Å; R537-T539 PolarHBondContact O-N 2.91Å
538	V	86.1	Confident	90	Very high	36 Å²	36	23.7 Å²	23.7	22%	0.218	13%	0.134	C	C	.	.	H	α-helix	trans	-68.5	-28.8	-177.1	171.7	0	0	0	0	112.9	E534 Q558 L663 A666	E534-V538 HydrophobicContact CG-CG2 4.03Å; E534-V538 WeakPolarHBondContact O-CB 3.48Å; E534-V538 WeakPolarHBondContact O-CG2 3.42Å; E534-V538 PolarHBondContact O-N 3.03Å; V538-Q558 PolarHBondContact O-NE2 3.37Å; V538-L663 HydrophobicContact CG1-CD2 3.87Å; V538-A666 HydrophobicContact CG1-CB 4.48Å
539	T	86.1	Confident	89.7	Confident	6 Å²	6	27.5 Å²	27.5	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-104.3	-4.7	179.9	65.3	0	0	0	0	114.8	M535 R537 V541 K554 S557	M535-T539 WeakPolarHBondContact O-CB 3.44Å; M535-T539 PolarHBondContact O-N 3.14Å; M535-T539 PolarHBondContact O-OG1 2.64Å; M535-T539 HydrophobicContact SD-CG2 3.92Å; R537-T539 VanDerWaalsContact C-N 3.34Å; R537-T539 PolarHBondContact O-N 2.91Å; T539-V541 PolarHBondContact O-N 2.79Å; T539-K554 HydrophobicContact CG2-CB 4.08Å; T539-K554 HydrophobicContact CG2-CD 4.18Å; T539-K554 HydrophobicContact CG2-CG 4.3Å; T539-S557 PolarHBondContact O-OG 3.18Å
540	G	91.4	Very high	89.2	Confident	3 Å²	3	28.7 Å²	28.7	3%	0.031	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	35.6	174.1	0	0	0	0	0	114.4	A536 S557 R561	A536-G540 WeakPolarHBondContact O-CA 3.31Å; A536-G540 PolarHBondContact O-N 3.32Å; G540-S557 PolarHBondContact O-OG 2.93Å; G540-R561 PolarHBondContact O-NH2 3.12Å
541	V	93.5	Very high	88.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.			trans	-123.6	156.3	179.7	-57.7	0	0	0	0	111.5	G262 A536 T539 L546 K554	G262-V541 WeakPolarHBondContact CA-O 3.43Å; A536-V541 PolarHBondContact O-N 2.73Å; T539-V541 PolarHBondContact O-N 2.79Å; V541-L546 HydrophobicContact CG2-CD2 3.77Å; V541-K554 HydrophobicContact CG2-CG 4.38Å
542	P	95.1	Very high	88.6	Confident	7 Å²	7	38.8 Å²	38.8	5%	0.045	20%	0.203	C	C	.	.			trans	-60.1	151.6	175.7	-24.3	34.9	0	0	0	113.5	I101 I252 M255 S544 Y545	I101-P542 HydrophobicContact CD1-CG 4.21Å; I101-P542 HydrophobicContact CG1-CG 4.18Å; I252-P542 HydrophobicContact CD1-CG 4.4Å; M255-P542 HydrophobicContact CE-CG 4.48Å; M255-P542 HydrophobicContact SD-CG 3.78Å; P542-S544 VanDerWaalsContact C-N 3.32Å; P542-S544 PolarHBondContact O-N 3.28Å; P542-Y545 HydrophobicContact CB-CD1 4.11Å; P542-Y545 HydrophobicContact CB-CG 4.5Å; P542-Y545 HydrophobicContact CG-CD1 4.19Å; P542-Y545 HydrophobicContact CG-CE1 4.37Å; P542-Y545 HydrophobicContact CG-CG 4.46Å; P542-Y545 WeakPolarHBondContact O-CB 3.42Å; P542-Y545 PolarHBondContact O-N 2.86Å; P542-Y545 VanDerWaalsContact O-N 3.09Å
543	L	94.1	Very high	88.3	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.031	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-40.8	-178.6	-173.2	60	0	0	0	112.3	V455 A532 A536 Y545 L546	V455-L543 HydrophobicContact CG1-CD2 4.07Å; V455-L543 HydrophobicContact CG1-CG 4.32Å; V455-L543 HydrophobicContact CG2-CD2 4.4Å; A532-L543 HydrophobicContact CB-CD1 3.7Å; A536-L543 HydrophobicContact CB-CD1 4.49Å; L543-Y545 PolarHBondContact O-N 3.13Å; L543-L546 HydrophobicContact CD1-CD1 4.25Å; L543-L546 WeakPolarHBondContact O-CB 2.96Å; L543-L546 PolarHBondContact O-N 3.44Å; L543-L546 VanDerWaalsContact O-N 3.09Å
544	S	91.8	Very high	88	Confident	35 Å²	35	41 Å²	41	25%	0.245	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.5	177.5	57.6	0	0	0	0	114	P542 L546 L547 S548	P542-S544 VanDerWaalsContact C-N 3.32Å; P542-S544 PolarHBondContact O-N 3.28Å; S544-L546 VanDerWaalsContact C-N 3.28Å; S544-L546 PolarHBondContact O-N 3.23Å; S544-L547 PolarHBondContact O-N 3.11Å; S544-S548 PolarHBondContact O-N 2.93Å; S544-S548 PolarHBondContact O-OG 2.85Å
545	Y	91.7	Very high	88	Confident	33 Å²	33	41.9 Å²	41.9	13%	0.129	22%	0.221	C	C	.	.	H	α-helix	trans	-71.7	-24.7	176.3	-82.1	39.4	0	0	0	111.5	D249 I252 P542 L543 L547 R549 V553	D249-Y545 PolarHBondContact OD2-OH 3.09Å; I252-Y545 HydrophobicContact CD1-CD2 4.47Å; I252-Y545 HydrophobicContact CD1-CE2 4.14Å; I252-Y545 HydrophobicContact CG1-CE2 4.26Å; P542-Y545 HydrophobicContact CB-CD1 4.11Å; P542-Y545 HydrophobicContact CB-CG 4.5Å; P542-Y545 HydrophobicContact CG-CD1 4.19Å; P542-Y545 HydrophobicContact CG-CE1 4.37Å; P542-Y545 HydrophobicContact CG-CG 4.46Å; P542-Y545 WeakPolarHBondContact O-CB 3.42Å; P542-Y545 PolarHBondContact O-N 2.86Å; P542-Y545 VanDerWaalsContact O-N 3.09Å; L543-Y545 PolarHBondContact O-N 3.13Å; Y545-L547 PolarHBondContact O-N 3.3Å; Y545-R549 HydrophobicContact CD1-CG 4.49Å; Y545-R549 HydrophobicContact CD2-CG 3.76Å; Y545-R549 HydrophobicContact CE2-CG 4.29Å; Y545-R549 HydrophobicContact CG-CG 3.85Å; Y545-R549 WeakPolarHBondContact O-CB 3.3Å; Y545-R549 PolarHBondContact O-N 3.11Å; Y545-V553 HydrophobicContact CD2-CB 4.43Å; Y545-V553 HydrophobicContact CD2-CG2 4.12Å
546	L	89.1	Confident	88	Confident	17 Å²	17	42.3 Å²	42.3	9%	0.089	23%	0.226	C	C	.	.	H	α-helix	trans	-68.9	-19.1	178.2	-59.3	-170.9	0	0	0	113.7	R465 A532 M535 A536 V541 L543 S544 K554	R465-L546 PolarHBondContact NH1-O 3Å; R465-L546 PolarHBondContact NH2-O 3.21Å; A532-L546 HydrophobicContact CB-CD1 4.16Å; A532-L546 WeakPolarHBondContact O-CD1 3.45Å; M535-L546 HydrophobicContact CB-CD1 3.81Å; M535-L546 HydrophobicContact CG-CD1 3.81Å; M535-L546 HydrophobicContact CG-CD2 3.72Å; M535-L546 HydrophobicContact CG-CG 4.44Å; A536-L546 HydrophobicContact CB-CD1 4.04Å; V541-L546 HydrophobicContact CG2-CD2 3.77Å; L543-L546 HydrophobicContact CD1-CD1 4.25Å; L543-L546 WeakPolarHBondContact O-CB 2.96Å; L543-L546 PolarHBondContact O-N 3.44Å; L543-L546 VanDerWaalsContact O-N 3.09Å; S544-L546 VanDerWaalsContact C-N 3.28Å; S544-L546 PolarHBondContact O-N 3.23Å; L546-K554 VanDerWaalsContact CD2-CE 3.45Å
547	L	87.2	Confident	87.8	Confident	46 Å²	46	42.3 Å²	42.3	24%	0.241	23%	0.226	C	C	.	.	H	α-helix	trans	-99.8	-46.2	175.1	-62.2	174.9	0	0	0	111.6	Q456 M457 V462 R465 S544 Y545	Q456-L547 WeakPolarHBondContact O-CD1 3.26Å; M457-L547 HydrophobicContact CB-CD1 4.47Å; M457-L547 HydrophobicContact CG-CD1 4.12Å; V462-L547 HydrophobicContact CG2-CD2 3.88Å; R465-L547 PolarHBondContact NE-O 2.97Å; R465-L547 PolarHBondContact NH2-O 3.39Å; R465-L547 VanDerWaalsContact NH2-O 3.13Å; S544-L547 PolarHBondContact O-N 3.11Å; Y545-L547 PolarHBondContact O-N 3.3Å
548	S	84.6	Confident	87.7	Confident	68 Å²	68	42 Å²	42	48%	0.476	23%	0.225	S	C	.	.	H	α-helix	trans	-85.7	-20.5	-171.4	61	0	0	0	0	116	S544	S544-S548 PolarHBondContact O-N 2.93Å; S544-S548 PolarHBondContact O-OG 2.85Å
549	R	85.4	Confident	87.9	Confident	97 Å²	97	40.7 Å²	40.7	37%	0.366	22%	0.217	S	C	.	.	S	Bend	trans	-114.6	168.1	-177.2	-53.8	-68.7	-150.3	162.6	11.9	112.1	D249 R465 Y545 V553	D249-R549 IonicContact OD1-NH2 3.45Å; D249-R549 IonicContact OD2-CZ 2.79Å; D249-R549 IonicContact OD2-NH2 3.47Å; D249-R549 PolarHBondContact OD2-NH2 3.19Å; R465-R549 PolarHBondContact NH2-O 3.31Å; Y545-R549 HydrophobicContact CD1-CG 4.49Å; Y545-R549 HydrophobicContact CD2-CG 3.76Å; Y545-R549 HydrophobicContact CE2-CG 4.29Å; Y545-R549 HydrophobicContact CG-CG 3.85Å; Y545-R549 WeakPolarHBondContact O-CB 3.3Å; Y545-R549 PolarHBondContact O-N 3.11Å; R549-V553 HydrophobicContact CB-CG1 4.3Å; R549-V553 HydrophobicContact CB-CG2 3.7Å; R549-V553 HydrophobicContact CG-CG1 4.37Å; R549-V553 HydrophobicContact CG-CG2 4.22Å
550	G	82.4	Confident	88.1	Confident	28 Å²	28	40.7 Å²	40.7	29%	0.289	22%	0.217	S	C	.	.			trans	-92	-176.2	172.7	0	0	0	0	0	113.1	Q552	G550-Q552 PolarHBondContact O-N 3.06Å
551	Q	81.8	Confident	88.2	Confident	131 Å²	131	41.5 Å²	41.5	61%	0.612	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.8	-174.7	-49.2	-62	0.3	0	0	114.5	V553 K554	Q551-V553 PolarHBondContact O-N 2.96Å; Q551-K554 WeakPolarHBondContact O-CB 3.24Å; Q551-K554 PolarHBondContact O-N 2.87Å
552	Q	82.6	Confident	88.1	Confident	163 Å²	163	43.9 Å²	43.9	76%	0.762	23%	0.23	S	C	*	.	H	α-helix	trans	-62.2	-41.8	-176.6	-75.9	175.9	-34.9	0	0	113.6	G550 K554 V555 V556	G550-Q552 PolarHBondContact O-N 3.06Å; Q552-K554 PolarHBondContact O-N 2.93Å; Q552-V555 VanDerWaalsContact O-CG1 3.28Å; Q552-V555 WeakPolarHBondContact O-CG1 3.42Å; Q552-V555 PolarHBondContact O-N 3.47Å; Q552-V556 WeakPolarHBondContact O-CG2 3.45Å; Q552-V556 PolarHBondContact O-N 3.11Å
553	V	84	Confident	88	Confident	36 Å²	36	43.5 Å²	43.5	22%	0.218	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-28.6	-177.2	-63.6	0	0	0	0	112.4	Y545 R549 Q551 S557	Y545-V553 HydrophobicContact CD2-CB 4.43Å; Y545-V553 HydrophobicContact CD2-CG2 4.12Å; R549-V553 HydrophobicContact CB-CG1 4.3Å; R549-V553 HydrophobicContact CB-CG2 3.7Å; R549-V553 HydrophobicContact CG-CG1 4.37Å; R549-V553 HydrophobicContact CG-CG2 4.22Å; Q551-V553 PolarHBondContact O-N 2.96Å; V553-S557 PolarHBondContact O-N 3.49Å
554	K	86.2	Confident	87.9	Confident	29 Å²	29	46.5 Å²	46.5	13%	0.126	24%	0.243	C	C	.	.	H	α-helix	trans	-66.9	-53.5	177.8	-62.3	175.3	176.1	-177.3	0	111.4	M535 T539 V541 L546 Q551 Q552 V556 S557 Q558	M535-K554 HydrophobicContact SD-CD 4.32Å; M535-K554 PolarHBondContact SD-NZ 2.83Å; M535-K554 VanDerWaalsContact SD-NZ 3.36Å; T539-K554 HydrophobicContact CG2-CB 4.08Å; T539-K554 HydrophobicContact CG2-CD 4.18Å; T539-K554 HydrophobicContact CG2-CG 4.3Å; V541-K554 HydrophobicContact CG2-CG 4.38Å; L546-K554 VanDerWaalsContact CD2-CE 3.45Å; Q551-K554 WeakPolarHBondContact O-CB 3.24Å; Q551-K554 PolarHBondContact O-N 2.87Å; Q552-K554 PolarHBondContact O-N 2.93Å; K554-V556 VanDerWaalsContact C-N 3.31Å; K554-V556 PolarHBondContact O-N 3.34Å; K554-S557 PolarHBondContact O-N 2.84Å; K554-Q558 WeakPolarHBondContact O-CG 3.4Å; K554-Q558 PolarHBondContact O-N 3.04Å
555	V	85.6	Confident	87.8	Confident	69 Å²	69	50.6 Å²	50.6	42%	0.418	26%	0.258	S	S	.	.	H	α-helix	trans	-68.3	-31	179.4	62.9	0	0	0	0	111.8	Q552 L559	Q552-V555 VanDerWaalsContact O-CG1 3.28Å; Q552-V555 WeakPolarHBondContact O-CG1 3.42Å; Q552-V555 PolarHBondContact O-N 3.47Å; V555-L559 WeakPolarHBondContact O-CB 3.38Å; V555-L559 PolarHBondContact O-N 3.38Å
556	V	86.4	Confident	87.7	Confident	49 Å²	49	52.4 Å²	52.4	30%	0.297	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-46.1	171.9	170.9	0	0	0	0	111.5	Q552 K554 Q558 L559 L560	Q552-V556 WeakPolarHBondContact O-CG2 3.45Å; Q552-V556 PolarHBondContact O-N 3.11Å; K554-V556 VanDerWaalsContact C-N 3.31Å; K554-V556 PolarHBondContact O-N 3.34Å; V556-Q558 PolarHBondContact O-N 3.46Å; V556-L559 PolarHBondContact O-N 2.93Å; V556-L560 HydrophobicContact CG1-CD1 3.78Å; V556-L560 HydrophobicContact CG1-CG 4.32Å; V556-L560 VanDerWaalsContact O-CG 3.29Å; V556-L560 WeakPolarHBondContact O-CG 3.25Å; V556-L560 PolarHBondContact O-N 3.39Å
557	S	89.6	Confident	87.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-49.2	174.9	-179.8	0	0	0	0	111.7	T539 G540 V553 K554 L559 L560 R561	T539-S557 PolarHBondContact O-OG 3.18Å; G540-S557 PolarHBondContact O-OG 2.93Å; V553-S557 PolarHBondContact O-N 3.49Å; K554-S557 PolarHBondContact O-N 2.84Å; S557-L559 VanDerWaalsContact C-N 3.32Å; S557-L559 PolarHBondContact O-N 3.44Å; S557-L560 PolarHBondContact O-N 2.98Å; S557-R561 WeakPolarHBondContact O-CG 3.42Å; S557-R561 PolarHBondContact O-N 3.35Å; S557-R561 VanDerWaalsContact O-N 3.14Å
558	Q	88.2	Confident	88.1	Confident	22 Å²	22	50.7 Å²	50.7	10%	0.103	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-38.9	177.8	-69.9	178.7	-39.7	0	0	112.8	V538 K554 V556 Q562 I659	V538-Q558 PolarHBondContact O-NE2 3.37Å; K554-Q558 WeakPolarHBondContact O-CG 3.4Å; K554-Q558 PolarHBondContact O-N 3.04Å; V556-Q558 PolarHBondContact O-N 3.46Å; Q558-Q562 WeakPolarHBondContact O-CG 3.42Å; Q558-Q562 PolarHBondContact O-N 3.48Å; Q558-I659 HydrophobicContact CB-CD1 4.33Å; Q558-I659 HydrophobicContact CB-CG1 4.5Å; Q558-I659 HydrophobicContact CB-CG2 4.04Å
559	L	89.4	Confident	88.5	Confident	10 Å²	10	47.6 Å²	47.6	5%	0.052	24%	0.242	C	C	.	.	H	α-helix	trans	-70.7	-39.8	179.5	-173.5	64.5	0	0	0	112.3	M198 V555 V556 S557 Q562 A563 M570 Y618 L655 L656 I659	M198-L559 HydrophobicContact CE-CD2 3.73Å; M198-L559 HydrophobicContact CE-CG 4.38Å; M198-L559 HydrophobicContact SD-CD1 3.88Å; M198-L559 HydrophobicContact SD-CD2 3.79Å; M198-L559 HydrophobicContact SD-CG 3.77Å; V555-L559 WeakPolarHBondContact O-CB 3.38Å; V555-L559 PolarHBondContact O-N 3.38Å; V556-L559 PolarHBondContact O-N 2.93Å; S557-L559 VanDerWaalsContact C-N 3.32Å; S557-L559 PolarHBondContact O-N 3.44Å; L559-Q562 PolarHBondContact O-N 2.97Å; L559-A563 WeakPolarHBondContact O-CB 3.25Å; L559-A563 PolarHBondContact O-N 3.44Å; L559-M570 HydrophobicContact CD2-SD 4.47Å; L559-Y618 HydrophobicContact CD2-CE2 4.39Å; L559-L655 HydrophobicContact CD1-CB 4.07Å; L559-L655 HydrophobicContact CD1-CD1 3.87Å; L559-L656 HydrophobicContact CD1-CD2 4.02Å; L559-I659 HydrophobicContact CB-CD1 4.26Å; L559-I659 HydrophobicContact CD1-CD1 4.06Å
560	L	90.5	Very high	88.8	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-41.2	176.8	-71	167.4	0	0	0	112.3	E245 V248 V256 V556 S557 A563 M564 M570	E245-L560 HydrophobicContact CG-CD2 4.33Å; V248-L560 HydrophobicContact CB-CD1 4.47Å; V248-L560 HydrophobicContact CG1-CD1 3.82Å; V248-L560 HydrophobicContact CG2-CD1 3.71Å; V248-L560 HydrophobicContact CG2-CD2 4.36Å; V256-L560 HydrophobicContact CG1-CB 4.16Å; V256-L560 HydrophobicContact CG2-CB 4.19Å; V556-L560 HydrophobicContact CG1-CD1 3.78Å; V556-L560 HydrophobicContact CG1-CG 4.32Å; V556-L560 VanDerWaalsContact O-CG 3.29Å; V556-L560 WeakPolarHBondContact O-CG 3.25Å; V556-L560 PolarHBondContact O-N 3.39Å; S557-L560 PolarHBondContact O-N 2.98Å; L560-A563 PolarHBondContact O-N 2.87Å; L560-M564 PolarHBondContact O-N 3.15Å; L560-M570 HydrophobicContact CD2-CB 4.3Å
561	R	93.3	Very high	89.1	Confident	19 Å²	19	45.3 Å²	45.3	7%	0.072	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-49.5	175.4	-67.5	175.7	-170.7	-85.2	0.1	111.9	M255 V256 D259 I260 G540 S557 M564	M255-R561 PolarHBondContact O-NH1 2.85Å; M255-R561 PolarHBondContact O-NH2 3.47Å; M255-R561 VanDerWaalsContact O-NH2 3.12Å; V256-R561 HydrophobicContact CB-CG 4.39Å; V256-R561 HydrophobicContact CG1-CG 4.08Å; V256-R561 HydrophobicContact CG2-CG 3.94Å; D259-R561 IonicContact OD1-NH1 3.81Å; D259-R561 PolarHBondContact OD1-NH1 2.83Å; I260-R561 PolarHBondContact O-NH2 2.99Å; G540-R561 PolarHBondContact O-NH2 3.12Å; S557-R561 WeakPolarHBondContact O-CG 3.42Å; S557-R561 PolarHBondContact O-N 3.35Å; S557-R561 VanDerWaalsContact O-N 3.14Å; R561-M564 PolarHBondContact O-N 3.28Å
562	Q	91.6	Very high	89.2	Confident	50 Å²	50	41.7 Å²	41.7	23%	0.234	22%	0.216	C	C	.	.	H	α-helix	trans	-69.1	-36.5	179.4	-61.9	-62.2	-40.1	0	0	112.3	Q558 L559 M564 H565 E566 L655 I659	Q558-Q562 WeakPolarHBondContact O-CG 3.42Å; Q558-Q562 PolarHBondContact O-N 3.48Å; L559-Q562 PolarHBondContact O-N 2.97Å; Q562-M564 VanDerWaalsContact C-N 3.32Å; Q562-M564 PolarHBondContact O-N 2.98Å; Q562-H565 PolarHBondContact O-N 3.1Å; Q562-E566 PolarHBondContact O-N 2.92Å; Q562-L655 HydrophobicContact CB-CD2 4.02Å; Q562-I659 HydrophobicContact CG-CD1 4.28Å; Q562-I659 HydrophobicContact CG-CG1 3.79Å
563	A	92.1	Very high	88.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-36.9	175.5	0	0	0	0	0	112.4	L559 L560 H565 E566 G567 L568 L655	L559-A563 WeakPolarHBondContact O-CB 3.25Å; L559-A563 PolarHBondContact O-N 3.44Å; L560-A563 PolarHBondContact O-N 2.87Å; A563-H565 PolarHBondContact O-N 3.25Å; A563-E566 CarbonylContact O-C 3.59Å; A563-E566 PolarHBondContact O-N 3.48Å; A563-G567 PolarHBondContact O-N 2.89Å; A563-G567 VanDerWaalsContact O-N 3.08Å; A563-L568 HydrophobicContact CB-CB 4.16Å; A563-L568 PolarHBondContact O-N 2.88Å; A563-L655 HydrophobicContact CB-CD1 4.03Å
564	M	92.4	Very high	88	Confident	68 Å²	68	44.9 Å²	44.9	34%	0.335	23%	0.233	S	C	.	.	H	α-helix	trans	-59.2	-45.4	176.3	-178.9	178.1	-75.1	0	0	112.2	V256 D257 L560 R561 Q562 E566 G567	V256-M564 HydrophobicContact CG1-CE 3.77Å; D257-M564 HydrophobicContact CB-CE 4.5Å; D257-M564 WeakPolarHBondContact OD1-CE 3.34Å; L560-M564 PolarHBondContact O-N 3.15Å; R561-M564 PolarHBondContact O-N 3.28Å; Q562-M564 VanDerWaalsContact C-N 3.32Å; Q562-M564 PolarHBondContact O-N 2.98Å; M564-E566 VanDerWaalsContact C-N 3.29Å; M564-E566 PolarHBondContact O-N 3.45Å; M564-G567 PolarHBondContact O-N 3.41Å; M564-G567 VanDerWaalsContact O-N 3.08Å
565	H	89.8	Confident	86.8	Confident	121 Å²	121	48.5 Å²	48.5	56%	0.56	26%	0.262	S	S	*	.	H	α-helix	trans	-62.2	-34.4	-179.9	-60.7	163	0	0	0	113	D259 Q562 A563	D259-H565 IonicContact OD2-NE2 2.63Å; Q562-H565 PolarHBondContact O-N 3.1Å; A563-H565 PolarHBondContact O-N 3.25Å
566	E	89.9	Confident	85.3	Confident	71 Å²	71	52.7 Å²	52.7	33%	0.332	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2.9	176.6	-68.2	-176	-158.3	0	0	113.2	Q562 A563 M564 L568 L655 Q658	Q562-E566 PolarHBondContact O-N 2.92Å; A563-E566 CarbonylContact O-C 3.59Å; A563-E566 PolarHBondContact O-N 3.48Å; M564-E566 VanDerWaalsContact C-N 3.29Å; M564-E566 PolarHBondContact O-N 3.45Å; E566-L568 VanDerWaalsContact C-N 3.3Å; E566-L568 HydrophobicContact CB-CD1 3.79Å; E566-L568 HydrophobicContact CB-CG 3.75Å; E566-L568 PolarHBondContact O-N 2.78Å; E566-L655 HydrophobicContact CB-CD2 4.47Å; E566-L655 VanDerWaalsContact CD-CD2 3.4Å; E566-L655 HydrophobicContact CG-CD2 4.15Å; E566-L655 WeakPolarHBondContact OE1-CD2 3.25Å; E566-L655 WeakPolarHBondContact OE2-CD2 3.3Å; E566-Q658 PolarHBondContact OE1-NE2 2.86Å
567	G	91.9	Very high	84	Confident	21 Å²	21	54.2 Å²	54.2	22%	0.216	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	22.6	179.7	0	0	0	0	0	114.8	R195 E196 A563 M564	R195-G567 WeakPolarHBondContact CD-O 3.23Å; E196-G567 PolarHBondContact N-O 3.46Å; A563-G567 PolarHBondContact O-N 2.89Å; A563-G567 VanDerWaalsContact O-N 3.08Å; M564-G567 PolarHBondContact O-N 3.41Å; M564-G567 VanDerWaalsContact O-N 3.08Å
568	L	93.1	Very high	83.2	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	149.2	-173.4	-53.3	-179.8	0	0	0	111.6	E196 A563 E566 T619 L655	E196-L568 HydrophobicContact CB-CD2 3.76Å; E196-L568 HydrophobicContact CG-CD2 4.32Å; E196-L568 CarbonylContact O-C 3.59Å; E196-L568 WeakPolarHBondContact O-CA 3.49Å; E196-L568 WeakPolarHBondContact OE2-CD2 3.05Å; A563-L568 HydrophobicContact CB-CB 4.16Å; A563-L568 PolarHBondContact O-N 2.88Å; E566-L568 VanDerWaalsContact C-N 3.3Å; E566-L568 HydrophobicContact CB-CD1 3.79Å; E566-L568 HydrophobicContact CB-CG 3.75Å; E566-L568 PolarHBondContact O-N 2.78Å; L568-T619 HydrophobicContact CD1-CG2 3.61Å; L568-L655 HydrophobicContact CD1-CD1 4.04Å; L568-L655 HydrophobicContact CD1-CD2 4.33Å; L568-L655 HydrophobicContact CD1-CG 4.34Å
569	L	93.3	Very high	82.9	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.8	179.7	-64.4	178.4	0	0	0	112.6	Y149 R195 E196 M198 F209 Y244 E245 P571	Y149-L569 HydrophobicContact CD1-CD1 3.88Å; Y149-L569 HydrophobicContact CD1-CD2 4.31Å; Y149-L569 HydrophobicContact CD2-CD1 4.09Å; Y149-L569 HydrophobicContact CD2-CD2 3.43Å; Y149-L569 VanDerWaalsContact CD2-CD2 3.43Å; Y149-L569 HydrophobicContact CD2-CG 4.39Å; Y149-L569 HydrophobicContact CE1-CD1 4.48Å; Y149-L569 HydrophobicContact CE1-CD2 4.31Å; Y149-L569 HydrophobicContact CE2-CD2 3.44Å; Y149-L569 VanDerWaalsContact CE2-CD2 3.44Å; Y149-L569 HydrophobicContact CG-CD1 3.64Å; Y149-L569 HydrophobicContact CG-CD2 3.88Å; Y149-L569 HydrophobicContact CG-CG 4.42Å; R195-L569 HydrophobicContact CB-CD1 3.64Å; R195-L569 HydrophobicContact CB-CG 3.97Å; R195-L569 HydrophobicContact CG-CD1 3.82Å; R195-L569 HydrophobicContact CG-CG 4.1Å; E196-L569 PolarHBondContact O-N 3.26Å; M198-L569 VanDerWaalsContact CB-O 3.29Å; M198-L569 WeakPolarHBondContact CB-O 3.22Å; M198-L569 PolarHBondContact N-O 3.12Å; F209-L569 HydrophobicContact CB-CD1 4.34Å; F209-L569 HydrophobicContact CD1-CD1 3.51Å; F209-L569 HydrophobicContact CD2-CD1 4.35Å; F209-L569 HydrophobicContact CE1-CD1 3.75Å; F209-L569 HydrophobicContact CG-CD1 3.84Å; F209-L569 HydrophobicContact CZ-CD1 4.26Å; Y244-L569 HydrophobicContact CD1-CB 3.77Å; Y244-L569 HydrophobicContact CG-CB 4.45Å; E245-L569 WeakPolarHBondContact OE1-CA 3.28Å; L569-P571 WeakPolarHBondContact O-CD 3.45Å
570	M	91.3	Very high	82.4	Confident	58 Å²	58	73.1 Å²	73.1	29%	0.286	42%	0.416	S	S	.	.			trans	-81	117.4	177.2	178.9	171.5	177.1	0	0	112.4	M198 Y244 E245 L559 L560	M198-M570 HydrophobicContact CE-CB 4.02Å; M198-M570 HydrophobicContact CE-CG 3.75Å; M198-M570 HydrophobicContact CE-SD 4.3Å; M198-M570 HydrophobicContact SD-CB 4.43Å; Y244-M570 WeakPolarHBondContact CA-O 3.38Å; E245-M570 HydrophobicContact CG-CB 4.05Å; E245-M570 PolarHBondContact N-O 3.4Å; E245-M570 PolarHBondContact OE1-N 2.74Å; L559-M570 HydrophobicContact CD2-SD 4.47Å; L560-M570 HydrophobicContact CD2-CB 4.3Å
571	P	89.2	Confident	81.9	Confident	19 Å²	19	81.2 Å²	81.2	12%	0.123	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-72.5	146.3	175.9	27.3	-32.4	0	0	0	112.5	F199 Y244 L569 V573	F199-P571 HydrophobicContact CB-CG 3.75Å; Y244-P571 HydrophobicContact CD1-CB 3.94Å; Y244-P571 HydrophobicContact CE1-CB 3.58Å; Y244-P571 HydrophobicContact CE1-CG 4.23Å; L569-P571 WeakPolarHBondContact O-CD 3.45Å; P571-V573 HydrophobicContact CB-CG2 4.18Å; P571-V573 HydrophobicContact CG-CG2 4.06Å; P571-V573 PolarHBondContact O-N 3.05Å
572	V	82.7	Confident	81.1	Confident	54 Å²	54	85.7 Å²	85.7	33%	0.327	48%	0.477	S	S	.	.			trans	-82.3	79.9	172.2	-174.7	0	0	0	0	109.8	P243 K574	P243-V572 HydrophobicContact CG-CB 4.4Å; P243-V572 WeakPolarHBondContact O-CG2 3.42Å; P243-V572 PolarHBondContact O-N 3.17Å; V572-K574 PolarHBondContact O-N 2.94Å
573	V	73.6	Confident	80.4	Confident	102 Å²	102	84.9 Å²	84.9	62%	0.618	48%	0.483	S	S	*	.			trans	-81.1	116.3	175.6	-174.8	0	0	0	0	110	P571	P571-V573 HydrophobicContact CB-CG2 4.18Å; P571-V573 HydrophobicContact CG-CG2 4.06Å; P571-V573 PolarHBondContact O-N 3.05Å
574	K	68.8	Low	79.7	Confident	164 Å²	164	87.2 Å²	87.2	71%	0.713	50%	0.502	S	S	*	.			trans	-106.8	121.3	172.9	-170.3	-172.7	174.5	-153.2	0	110	V572 E576	V572-K574 PolarHBondContact O-N 2.94Å; K574-E576 WeakPolarHBondContact CE-OE1 3.41Å; K574-E576 IonicContact NZ-OE1 3.64Å; K574-E576 PolarHBondContact NZ-OE1 2.71Å
575	S	60.4	Low	79.2	Confident	105 Å²	105	86.6 Å²	86.6	73%	0.734	50%	0.502	S	S	*	.			trans	-120.5	140.2	173.3	51.3	0	0	0	0	110.8
576	E	54.9	Low	79.1	Confident	158 Å²	158	82.3 Å²	82.3	74%	0.738	48%	0.484	S	S	*	.	S	Bend	trans	-118.1	97.3	178.8	-65	-170	173.3	0	0	109.1	K574	K574-E576 WeakPolarHBondContact CE-OE1 3.41Å; K574-E576 IonicContact NZ-OE1 3.64Å; K574-E576 PolarHBondContact NZ-OE1 2.71Å
577	G	58.1	Low	79.1	Confident	80 Å²	80	80.1 Å²	80.1	83%	0.825	47%	0.474	S	S	*	.			trans	77.4	95.2	178.7	0	0	0	0	0	114.3
578	G	73.9	Confident	79.1	Confident	76 Å²	76	85.5 Å²	85.5	78%	0.784	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-90.3	153.1	162.7	0	0	0	0	0	111.4
579	E	81.9	Confident	79.2	Confident	199 Å²	199	86 Å²	86	93%	0.93	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-69.1	158.9	169.3	-59.9	-172.7	144.7	0	0	111.3
580	D	77.4	Confident	79.2	Confident	155 Å²	155	90.2 Å²	90.2	83%	0.829	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-82.5	151.7	175.9	-159.1	8	0	0	0	111
581	Y	80.2	Confident	79.3	Confident	175 Å²	175	94.6 Å²	94.6	69%	0.686	54%	0.537	S	S	*	.			trans	-118.3	155.4	-172.6	69.4	-86.7	0	0	0	112.7	G583	Y581-G583 PolarHBondContact O-N 3.4Å
582	T	77.5	Confident	79.3	Confident	113 Å²	113	94.5 Å²	94.5	69%	0.693	54%	0.539	S	S	*	.			trans	-70.3	98.5	-175.6	-17.3	0	0	0	0	111.1	R701	T582-R701 VanDerWaalsContact C-NH2 3.28Å; T582-R701 PolarHBondContact O-NE 3Å; T582-R701 PolarHBondContact O-NH2 3.03Å; T582-R701 VanDerWaalsContact O-NH2 3.16Å
583	G	76.8	Confident	79.7	Confident	34 Å²	34	95.1 Å²	95.1	35%	0.351	54%	0.536	S	S	.	.			trans	-66.7	-129.6	-172.6	0	0	0	0	0	116.8	Y581 R701	Y581-G583 PolarHBondContact O-N 3.4Å; G583-R701 PolarHBondContact O-NE 2.9Å; G583-R701 PolarHBondContact O-NH2 3.46Å
584	A	77.5	Confident	80.6	Confident	49 Å²	49	91.7 Å²	91.7	41%	0.405	51%	0.512	S	S	.	.			trans	-74.4	171.3	-178.5	0	0	0	0	0	114.1	R701 T732	A584-R701 PolarHBondContact O-NH2 2.67Å; A584-T732 HydrophobicContact CB-CG2 3.68Å; A584-T732 WeakPolarHBondContact CB-OG1 3.49Å
585	T	81.4	Confident	81.6	Confident	54 Å²	54	87.7 Å²	87.7	33%	0.331	50%	0.499	S	S	.	.			trans	-115.3	149.2	165.5	-166.3	0	0	0	0	110.7	R701 I704 T732	T585-R701 HydrophobicContact CG2-CB 4.35Å; T585-R701 HydrophobicContact CG2-CG 4.22Å; T585-I704 HydrophobicContact CG2-CG2 3.54Å; T585-T732 PolarHBondContact O-N 2.93Å
586	V	87.4	Confident	83.3	Confident	31 Å²	31	84.1 Å²	84.1	19%	0.188	47%	0.472	C	S	.	.	B	Isolated β-bridge	trans	-138.3	115.6	-179.3	-175.9	0	0	0	0	108.2	Y729 D731 K782	V586-Y729 HydrophobicContact CG1-CE2 3.75Å; V586-Y729 VanDerWaalsContact CG1-OH 3.27Å; V586-Y729 WeakPolarHBondContact CG1-OH 3.45Å; V586-D731 HydrophobicContact CG1-CB 4.44Å; V586-D731 WeakPolarHBondContact CG2-OD1 3.27Å; V586-K782 HydrophobicContact CB-CD 4.17Å; V586-K782 HydrophobicContact CG1-CB 4.29Å; V586-K782 HydrophobicContact CG1-CD 3.75Å; V586-K782 HydrophobicContact CG1-CG 4Å; V586-K782 PolarHBondContact O-NZ 2.7Å
587	I	90.8	Very high	85.2	Confident	25 Å²	25	76.6 Å²	76.6	13%	0.128	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-59.9	144.2	-179.3	-59.2	178.2	0	0	0	109	I704 K708 V727 Y729 G730	I587-I704 HydrophobicContact CD1-CD1 4.4Å; I587-I704 HydrophobicContact CD1-CG1 4.34Å; I587-K708 HydrophobicContact CD1-CB 4.38Å; I587-K708 HydrophobicContact CD1-CD 4.21Å; I587-K708 HydrophobicContact CD1-CG 4.45Å; I587-V727 HydrophobicContact CD1-CG1 4.2Å; I587-Y729 WeakPolarHBondContact O-CE2 3.46Å; I587-G730 PolarHBondContact N-O 2.69Å
588	E	92	Very high	87.1	Confident	134 Å²	134	72.8 Å²	72.8	63%	0.626	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-65	128	175.7	-69.6	-54.5	148	0	0	110.6	K782	E588-K782 VanDerWaalsContact CD-NZ 3.26Å; E588-K782 WeakPolarHBondContact OE1-CE 3.49Å; E588-K782 IonicContact OE1-NZ 2.71Å; E588-K782 PolarHBondContact OE1-NZ 2.97Å; E588-K782 WeakPolarHBondContact OE2-CE 3.31Å; E588-K782 IonicContact OE2-NZ 2.75Å; E588-K782 PolarHBondContact OE2-NZ 2.89Å
589	P	94.1	Very high	88.2	Confident	17 Å²	17	69.2 Å²	69.2	11%	0.11	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-74.4	129	-178.3	29	-32.7	0	0	0	110.7	K591 Y729 L779 K782	P589-K591 VanDerWaalsContact C-N 3.34Å; P589-K591 HydrophobicContact CG-CG 4.43Å; P589-K591 PolarHBondContact O-N 3.08Å; P589-Y729 HydrophobicContact CB-CD2 3.76Å; P589-Y729 HydrophobicContact CB-CE2 4.2Å; P589-Y729 HydrophobicContact CB-CG 4.49Å; P589-L779 HydrophobicContact CB-CD1 3.93Å; P589-L779 HydrophobicContact CB-CD2 3.71Å; P589-L779 HydrophobicContact CB-CG 3.87Å; P589-K782 HydrophobicContact CG-CG 4.13Å
590	L	94.3	Very high	88.9	Confident	93 Å²	93	59.8 Å²	59.8	49%	0.487	32%	0.317	S	S	.	.			trans	-71.6	95.6	159.8	-58.8	-174.7	0	0	0	107.2	Y594 V728 L779	L590-Y594 VanDerWaalsContact CB-OH 3.26Å; L590-Y594 WeakPolarHBondContact CB-OH 3.28Å; L590-Y594 WeakPolarHBondContact O-CE2 3.37Å; L590-Y594 PolarHBondContact O-OH 3.45Å; L590-Y594 VanDerWaalsContact O-OH 3.09Å; L590-V728 HydrophobicContact CB-CB 4.39Å; L590-V728 HydrophobicContact CD1-CG1 4.39Å; L590-V728 PolarHBondContact N-O 3.01Å; L590-L779 WeakPolarHBondContact O-CD2 3.49Å
591	K	91.8	Very high	89.7	Confident	150 Å²	150	52.4 Å²	52.4	65%	0.652	28%	0.277	S	S	*	.			trans	-68.9	144.5	-175.4	-59.6	177.8	-174.1	169	0	111.1	P589 L779 I780	P589-K591 VanDerWaalsContact C-N 3.34Å; P589-K591 HydrophobicContact CG-CG 4.43Å; P589-K591 PolarHBondContact O-N 3.08Å; K591-L779 WeakPolarHBondContact CA-O 3.39Å; K591-I780 WeakPolarHBondContact CD-O 3.44Å
592	G	90.4	Very high	90.3	Very high	16 Å²	16	45.1 Å²	45.1	17%	0.165	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.6	-179.8	172.4	0	0	0	0	0	113.8	L779	G592-L779 PolarHBondContact N-O 3.42Å; G592-L779 PolarHBondContact O-N 2.88Å
593	Y	90.4	Very high	90.8	Very high	68 Å²	68	39.9 Å²	39.9	27%	0.267	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	134.7	164.4	177.3	-107.2	0	0	0	109.5	D595 P776 L778 L828	Y593-D595 HydrophobicContact CE1-CB 3.84Å; Y593-P776 HydrophobicContact CE2-CB 3.78Å; Y593-P776 HydrophobicContact CE2-CG 4.2Å; Y593-P776 WeakPolarHBondContact OH-CB 3.44Å; Y593-L778 HydrophobicContact CD2-CD1 4.41Å; Y593-L828 HydrophobicContact CE2-CD2 4.03Å
594	Y	92.1	Very high	91.1	Very high	30 Å²	30	39.6 Å²	39.6	12%	0.118	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	102.9	-176.9	-72.3	-92.3	0	0	0	109.6	L590 V596 I598 V728 P776 Y777	L590-Y594 VanDerWaalsContact CB-OH 3.26Å; L590-Y594 WeakPolarHBondContact CB-OH 3.28Å; L590-Y594 WeakPolarHBondContact O-CE2 3.37Å; L590-Y594 PolarHBondContact O-OH 3.45Å; L590-Y594 VanDerWaalsContact O-OH 3.09Å; Y594-V596 HydrophobicContact CD1-CG1 4.22Å; Y594-V596 PolarHBondContact O-N 2.72Å; Y594-I598 HydrophobicContact CD1-CD1 4.15Å; Y594-I598 HydrophobicContact CG-CD1 4.34Å; Y594-V728 HydrophobicContact CE1-CG1 3.82Å; Y594-P776 WeakPolarHBondContact O-CA 3.35Å; Y594-Y777 HydrophobicContact CD2-CD1 4.15Å; Y594-Y777 PolarHBondContact N-O 2.92Å; Y594-Y777 PolarHBondContact O-N 3.25Å
595	D	91.1	Very high	91.3	Very high	79 Å²	79	38.1 Å²	38.1	42%	0.422	20%	0.198	S	C	.	.			trans	-90.7	47.7	169.7	-161.8	13.7	0	0	0	111.6	Y593 F775 R831	Y593-D595 HydrophobicContact CE1-CB 3.84Å; D595-F775 WeakPolarHBondContact OD1-CE2 3.46Å; D595-R831 IonicContact OD1-CZ 3.54Å; D595-R831 IonicContact OD1-NH1 2.62Å; D595-R831 PolarHBondContact OD1-NH1 3.01Å; D595-R831 IonicContact OD1-NH2 2.77Å; D595-R831 PolarHBondContact OD1-NH2 3.07Å; D595-R831 IonicContact OD2-CZ 3.02Å; D595-R831 IonicContact OD2-NH1 3.85Å; D595-R831 PolarHBondContact OD2-NH1 3.35Å
596	V	94.9	Very high	91.5	Very high	30 Å²	30	35.7 Å²	35.7	18%	0.182	18%	0.182	C	C	.	.	S	Bend	trans	-145.6	134.5	177.3	57.6	0	0	0	0	108	Y594 I598 R738 V741	Y594-V596 HydrophobicContact CD1-CG1 4.22Å; Y594-V596 PolarHBondContact O-N 2.72Å; V596-I598 HydrophobicContact CG1-CD1 4.42Å; V596-I598 PolarHBondContact O-N 2.95Å; V596-R738 HydrophobicContact CG1-CG 3.93Å; V596-V741 WeakPolarHBondContact CG2-O 3.32Å
597	P	96.4	Very high	91.3	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.174	C	C	.	.			trans	-45.7	122.6	177.6	-34.9	37.4	0	0	0	115	V741 S742 V744 A747 V773 Y774 F775	P597-V741 WeakPolarHBondContact CD-O 3.33Å; P597-S742 WeakPolarHBondContact CG-O 3.29Å; P597-V744 HydrophobicContact CG-CG2 4.19Å; P597-A747 HydrophobicContact CB-CB 3.45Å; P597-A747 VanDerWaalsContact CB-CB 3.45Å; P597-A747 HydrophobicContact CG-CB 4.35Å; P597-V773 HydrophobicContact CB-CG1 3.84Å; P597-Y774 WeakPolarHBondContact CA-O 3.34Å; P597-F775 HydrophobicContact CG-CB 4.38Å; P597-F775 HydrophobicContact CG-CD2 4.07Å; P597-F775 HydrophobicContact CG-CG 4.17Å
598	I	97.4	Very high	91.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112.4	172.8	-51.3	-59.8	0	0	0	108.7	Y594 V596 V728 M736 R738 V773 Y774 Y777	Y594-I598 HydrophobicContact CD1-CD1 4.15Å; Y594-I598 HydrophobicContact CG-CD1 4.34Å; V596-I598 HydrophobicContact CG1-CD1 4.42Å; V596-I598 PolarHBondContact O-N 2.95Å; I598-V728 HydrophobicContact CD1-CG2 4.3Å; I598-V728 HydrophobicContact CG2-CG2 3.93Å; I598-M736 HydrophobicContact CG2-CB 3.92Å; I598-R738 HydrophobicContact CD1-CB 3.6Å; I598-R738 HydrophobicContact CD1-CG 3.76Å; I598-V773 CarbonylContact O-C 3.48Å; I598-V773 WeakPolarHBondContact O-CA 3.34Å; I598-Y774 PolarHBondContact N-O 3.22Å; I598-Y774 PolarHBondContact O-N 2.84Å; I598-Y777 HydrophobicContact CB-CD1 4.47Å; I598-Y777 HydrophobicContact CG1-CD1 3.85Å; I598-Y777 HydrophobicContact CG1-CG 4.14Å
599	A	97.1	Very high	90.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	136.6	175.2	0	0	0	0	0	110.4	M736 C737 F739 F770 V773	A599-M736 CarbonylContact O-C 3.52Å; A599-M736 WeakPolarHBondContact O-CA 3.27Å; A599-C737 PolarHBondContact N-O 2.83Å; A599-C737 PolarHBondContact O-N 3.38Å; A599-F739 HydrophobicContact CB-CD2 3.98Å; A599-F739 HydrophobicContact CB-CE2 3.7Å; A599-F770 HydrophobicContact CB-CE2 4.34Å; A599-V773 HydrophobicContact CB-CG2 4.38Å
600	T	96.3	Very high	90.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.3	174.3	-50.4	0	0	0	0	110.2	V735 M736 E771 K772	T600-V735 WeakPolarHBondContact CA-O 3.27Å; T600-M736 HydrophobicContact CG2-CE 4.08Å; T600-M736 HydrophobicContact CG2-CG 4.02Å; T600-E771 PolarHBondContact O-N 2.86Å; T600-K772 HydrophobicContact CG2-CG 4.44Å; T600-K772 PolarHBondContact N-O 3.05Å
601	L	94.9	Very high	90.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.1	175.8	-42.8	-179.3	0	0	0	107.7	S734 V735 G751 A754 A755 L768 E769 F770	L601-S734 CarbonylContact O-C 3.59Å; L601-S734 WeakPolarHBondContact O-CA 3.48Å; L601-V735 PolarHBondContact N-O 2.82Å; L601-V735 PolarHBondContact O-N 2.78Å; L601-G751 VanDerWaalsContact CD2-O 3.27Å; L601-G751 WeakPolarHBondContact CD2-O 3Å; L601-A754 HydrophobicContact CD1-CB 4Å; L601-A755 HydrophobicContact CD2-CB 4.34Å; L601-L768 HydrophobicContact CB-CD1 4.02Å; L601-L768 HydrophobicContact CB-CD2 3.79Å; L601-L768 HydrophobicContact CB-CG 3.84Å; L601-L768 HydrophobicContact CD1-CD2 3.88Å; L601-L768 HydrophobicContact CG-CD2 4.48Å; L601-E769 WeakPolarHBondContact CA-O 3.39Å; L601-F770 HydrophobicContact CD2-CB 4.27Å; L601-F770 HydrophobicContact CD2-CD2 4.08Å
602	D	90.8	Very high	90.4	Very high	23 Å²	23	18.3 Å²	18.3	12%	0.123	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.8	-177.8	-173.4	28.8	0	0	0	111.7	S604 D733 S734 E769	D602-S604 PolarHBondContact O-N 3.26Å; D602-D733 VanDerWaalsContact OD1-CB 3.28Å; D602-D733 WeakPolarHBondContact OD1-CB 3.3Å; D602-S734 PolarHBondContact OD1-N 3.32Å; D602-E769 PolarHBondContact N-O 3.46Å; D602-E769 PolarHBondContact O-N 3.05Å
603	F	88.9	Confident	90.5	Very high	2 Å²	2	19 Å²	19	1%	0.009	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	106.9	179.2	-86.1	-70	0	0	0	111.6	S605 L606 M703 T707 D733 F762 I766 L768	F603-S605 PolarHBondContact O-N 3.18Å; F603-L606 HydrophobicContact CB-CB 3.77Å; F603-L606 HydrophobicContact CB-CD1 3.83Å; F603-L606 HydrophobicContact CB-CG 4.24Å; F603-L606 HydrophobicContact CD1-CD1 4.49Å; F603-L606 HydrophobicContact CD2-CD1 4.15Å; F603-L606 HydrophobicContact CG-CD1 3.93Å; F603-L606 PolarHBondContact O-N 3.48Å; F603-M703 HydrophobicContact CE2-CB 4.45Å; F603-M703 HydrophobicContact CZ-CB 4.39Å; F603-T707 WeakPolarHBondContact CE2-OG1 3.33Å; F603-T707 WeakPolarHBondContact CZ-OG1 3.25Å; F603-D733 WeakPolarHBondContact CD2-O 3.41Å; F603-D733 PolarHBondContact N-O 3.02Å; F603-F762 HydrophobicContact CE1-CD2 4.26Å; F603-F762 HydrophobicContact CE1-CE2 4.17Å; F603-F762 HydrophobicContact CZ-CD2 4.37Å; F603-F762 AromaticContact CZ-CE2 3.83Å; F603-F762 HydrophobicContact CZ-CE2 3.83Å; F603-F762 HydrophobicContact CZ-CZ 4.08Å; F603-I766 HydrophobicContact CD1-CG2 3.89Å; F603-I766 HydrophobicContact CE1-CG2 3.78Å; F603-L768 HydrophobicContact CD1-CB 4.25Å; F603-L768 HydrophobicContact CD1-CD1 4.06Å; F603-L768 HydrophobicContact CD2-CD1 3.85Å; F603-L768 HydrophobicContact CE1-CB 4.04Å; F603-L768 HydrophobicContact CE1-CD1 4.1Å; F603-L768 HydrophobicContact CE2-CD1 3.9Å; F603-L768 HydrophobicContact CG-CD1 3.93Å; F603-L768 HydrophobicContact CZ-CD1 4.03Å
604	S	83.6	Confident	90.6	Very high	28 Å²	28	18.1 Å²	18.1	20%	0.196	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	109.1	-177.9	80.5	0	0	0	0	110.6	D602 L606 S609 R767 E769	D602-S604 PolarHBondContact O-N 3.26Å; S604-L606 VanDerWaalsContact C-N 3.27Å; S604-L606 PolarHBondContact O-N 3.36Å; S604-S609 PolarHBondContact O-OG 3.47Å; S604-R767 PolarHBondContact N-O 3.38Å; S604-R767 PolarHBondContact OG-O 2.67Å; S604-E769 WeakPolarHBondContact CB-OE1 3.28Å
605	S	81.8	Confident	90.7	Very high	19 Å²	19	17 Å²	17	13%	0.133	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	34.7	-177	-41.7	0	0	0	0	115	F603 Y607 P608 S609 L664 R667	F603-S605 PolarHBondContact O-N 3.18Å; S605-Y607 VanDerWaalsContact C-N 3.29Å; S605-Y607 PolarHBondContact O-N 2.7Å; S605-P608 WeakPolarHBondContact O-CD 3.32Å; S605-S609 PolarHBondContact O-N 2.86Å; S605-S609 PolarHBondContact O-OG 3.36Å; S605-L664 WeakPolarHBondContact OG-CD2 3.44Å; S605-R667 PolarHBondContact OG-NH1 2.9Å
606	L	85	Confident	90.8	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-19.4	-60.9	-177.2	177.9	56.7	0	0	0	116.2	F603 S604 S609 I610 M703 D733	F603-L606 HydrophobicContact CB-CB 3.77Å; F603-L606 HydrophobicContact CB-CD1 3.83Å; F603-L606 HydrophobicContact CB-CG 4.24Å; F603-L606 HydrophobicContact CD1-CD1 4.49Å; F603-L606 HydrophobicContact CD2-CD1 4.15Å; F603-L606 HydrophobicContact CG-CD1 3.93Å; F603-L606 PolarHBondContact O-N 3.48Å; S604-L606 VanDerWaalsContact C-N 3.27Å; S604-L606 PolarHBondContact O-N 3.36Å; L606-S609 WeakPolarHBondContact O-CB 3.32Å; L606-S609 PolarHBondContact O-N 3.06Å; L606-I610 HydrophobicContact CD1-CD1 3.73Å; L606-I610 HydrophobicContact CD1-CG1 4.43Å; L606-I610 HydrophobicContact CG-CD1 3.95Å; L606-I610 WeakPolarHBondContact O-CD1 3.27Å; L606-I610 WeakPolarHBondContact O-CG1 3.35Å; L606-I610 PolarHBondContact O-N 2.89Å; L606-M703 HydrophobicContact CD1-CE 3.28Å; L606-D733 HydrophobicContact CB-CB 4.29Å; L606-D733 HydrophobicContact CD2-CB 3.64Å
607	Y	84	Confident	90.7	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.016	8%	0.078	C	C	.	.	H	α-helix	trans	-83.3	-42.5	-166.9	-61.5	-70.6	0	0	0	115.5	S605 S609 I610 M611 V696 T697 T732	S605-Y607 VanDerWaalsContact C-N 3.29Å; S605-Y607 PolarHBondContact O-N 2.7Å; Y607-S609 PolarHBondContact O-N 2.9Å; Y607-I610 HydrophobicContact CD1-CD1 3.52Å; Y607-I610 HydrophobicContact CE1-CD1 4.08Å; Y607-I610 HydrophobicContact CG-CD1 4.38Å; Y607-I610 WeakPolarHBondContact O-CB 2.91Å; Y607-I610 PolarHBondContact O-N 3.26Å; Y607-M611 WeakPolarHBondContact O-CG 3.48Å; Y607-M611 PolarHBondContact O-N 3.24Å; Y607-M611 VanDerWaalsContact O-N 3.08Å; Y607-V696 VanDerWaalsContact CD2-CA 3.46Å; Y607-V696 HydrophobicContact CD2-CB 4.03Å; Y607-V696 HydrophobicContact CD2-CG1 4.16Å; Y607-V696 HydrophobicContact CD2-CG2 3.97Å; Y607-V696 HydrophobicContact CE2-CB 4.01Å; Y607-V696 HydrophobicContact CE2-CG1 3.66Å; Y607-V696 HydrophobicContact CE2-CG2 3.91Å; Y607-T697 WeakPolarHBondContact CD1-OG1 3.24Å; Y607-T697 WeakPolarHBondContact CE1-O 3.22Å; Y607-T697 VanDerWaalsContact CZ-O 3.28Å; Y607-T697 PolarHBondContact OH-O 3.25Å; Y607-T732 HydrophobicContact CE2-CG2 4.06Å; Y607-T732 WeakPolarHBondContact OH-CG2 3.44Å
608	P	86	Confident	90.5	Very high	9 Å²	9	18.6 Å²	18.6	6%	0.058	10%	0.098	C	C	.	.	H	α-helix	trans	-47.3	-46.5	157.1	-33.1	36	0	0	0	113.3	S605 I610 M611 M612 L660 L664	S605-P608 WeakPolarHBondContact O-CD 3.32Å; P608-I610 PolarHBondContact O-N 3.02Å; P608-M611 PolarHBondContact O-N 3.46Å; P608-M612 WeakPolarHBondContact O-CE 3.2Å; P608-M612 WeakPolarHBondContact O-CG 2.91Å; P608-M612 PolarHBondContact O-N 2.99Å; P608-M612 VanDerWaalsContact O-N 3.09Å; P608-L660 HydrophobicContact CB-CD2 4.05Å; P608-L660 HydrophobicContact CG-CD2 4.19Å; P608-L664 HydrophobicContact CB-CD1 3.9Å; P608-L664 HydrophobicContact CB-CG 4.5Å
609	S	88.7	Confident	90.3	Very high	4 Å²	4	18.7 Å²	18.7	3%	0.028	10%	0.098	C	C	.	.	H	α-helix	trans	-65.1	-40.1	-178.6	-55.4	0	0	0	0	112.9	S604 S605 L606 Y607 A613	S604-S609 PolarHBondContact O-OG 3.47Å; S605-S609 PolarHBondContact O-N 2.86Å; S605-S609 PolarHBondContact O-OG 3.36Å; L606-S609 WeakPolarHBondContact O-CB 3.32Å; L606-S609 PolarHBondContact O-N 3.06Å; Y607-S609 PolarHBondContact O-N 2.9Å; S609-A613 WeakPolarHBondContact O-CB 3.37Å; S609-A613 PolarHBondContact O-N 3.02Å
610	I	88.4	Confident	90.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-54.8	-52.4	168.8	-77.5	154.3	0	0	0	111.2	L606 Y607 P608 M612 A613 H614 F699 M703 I766	L606-I610 HydrophobicContact CD1-CD1 3.73Å; L606-I610 HydrophobicContact CD1-CG1 4.43Å; L606-I610 HydrophobicContact CG-CD1 3.95Å; L606-I610 WeakPolarHBondContact O-CD1 3.27Å; L606-I610 WeakPolarHBondContact O-CG1 3.35Å; L606-I610 PolarHBondContact O-N 2.89Å; Y607-I610 HydrophobicContact CD1-CD1 3.52Å; Y607-I610 HydrophobicContact CE1-CD1 4.08Å; Y607-I610 HydrophobicContact CG-CD1 4.38Å; Y607-I610 WeakPolarHBondContact O-CB 2.91Å; Y607-I610 PolarHBondContact O-N 3.26Å; P608-I610 PolarHBondContact O-N 3.02Å; I610-M612 VanDerWaalsContact C-N 3.31Å; I610-M612 PolarHBondContact O-N 3.18Å; I610-A613 PolarHBondContact O-N 3.31Å; I610-H614 WeakPolarHBondContact O-CB 3.46Å; I610-H614 PolarHBondContact O-N 3.14Å; I610-F699 HydrophobicContact CB-CB 4.4Å; I610-F699 HydrophobicContact CD1-CB 3.61Å; I610-F699 HydrophobicContact CG1-CB 3.83Å; I610-F699 HydrophobicContact CG2-CB 3.64Å; I610-F699 HydrophobicContact CG2-CD1 4.47Å; I610-F699 HydrophobicContact CG2-CD2 3.94Å; I610-F699 HydrophobicContact CG2-CG 3.8Å; I610-M703 HydrophobicContact CD1-CE 3.75Å; I610-M703 HydrophobicContact CG1-CE 3.6Å; I610-I766 HydrophobicContact CG1-CD1 4.44Å
611	M	89.7	Confident	90.1	Very high	35 Å²	35	20.7 Å²	20.7	17%	0.172	11%	0.109	C	C	.	.	H	α-helix	trans	-65.2	-37.4	-171.7	-72.1	175.4	66.7	0	0	111.8	Y607 P608 N615 L616 L656 L660 T697	Y607-M611 WeakPolarHBondContact O-CG 3.48Å; Y607-M611 PolarHBondContact O-N 3.24Å; Y607-M611 VanDerWaalsContact O-N 3.08Å; P608-M611 PolarHBondContact O-N 3.46Å; M611-N615 WeakPolarHBondContact O-CA 3.42Å; M611-N615 PolarHBondContact O-N 3.47Å; M611-L616 HydrophobicContact CG-CB 4.43Å; M611-L616 PolarHBondContact O-N 3.1Å; M611-L656 HydrophobicContact CE-CB 4.05Å; M611-L656 HydrophobicContact CE-CD1 3.73Å; M611-L660 HydrophobicContact CB-CD1 3.66Å; M611-L660 HydrophobicContact CE-CD1 4.01Å; M611-L660 HydrophobicContact CG-CD1 4.43Å; M611-L660 HydrophobicContact SD-CD1 4.01Å; M611-T697 HydrophobicContact SD-CG2 3.88Å
612	M	90.8	Very high	89.9	Confident	34 Å²	34	20.9 Å²	20.9	17%	0.167	11%	0.11	C	C	.	.	H	α-helix	trans	-68.3	-55.5	172.2	-65.3	-179.3	-63.9	0	0	111.9	P608 I610 H614 N615 P657 L660 E661 L664 P765	P608-M612 WeakPolarHBondContact O-CE 3.2Å; P608-M612 WeakPolarHBondContact O-CG 2.91Å; P608-M612 PolarHBondContact O-N 2.99Å; P608-M612 VanDerWaalsContact O-N 3.09Å; I610-M612 VanDerWaalsContact C-N 3.31Å; I610-M612 PolarHBondContact O-N 3.18Å; M612-H614 VanDerWaalsContact C-N 3.26Å; M612-H614 PolarHBondContact O-N 3.3Å; M612-N615 PolarHBondContact O-N 3.09Å; M612-N615 VanDerWaalsContact O-N 3.09Å; M612-P657 HydrophobicContact CG-CB 4.2Å; M612-L660 HydrophobicContact CG-CB 4.14Å; M612-L660 HydrophobicContact SD-CB 4.14Å; M612-E661 HydrophobicContact SD-CB 4.11Å; M612-L664 HydrophobicContact CE-CD1 3.26Å; M612-L664 HydrophobicContact SD-CD1 4.1Å; M612-P765 HydrophobicContact CE-CG 3.5Å
613	A	91.8	Very high	89.8	Confident	31 Å²	31	25.6 Å²	25.6	26%	0.256	13%	0.126	S	C	.	.	H	α-helix	trans	-63.6	-29.1	-172.3	0	0	0	0	0	113.9	S609 I610 P763 S764 I766	S609-A613 WeakPolarHBondContact O-CB 3.37Å; S609-A613 PolarHBondContact O-N 3.02Å; I610-A613 PolarHBondContact O-N 3.31Å; A613-P763 HydrophobicContact CB-CB 4.23Å; A613-P763 HydrophobicContact CB-CG 3.94Å; A613-S764 WeakPolarHBondContact CB-O 3.49Å; A613-I766 HydrophobicContact CB-CD1 3.95Å; A613-I766 HydrophobicContact CB-CG1 4.04Å
614	H	92	Very high	89.6	Confident	48 Å²	48	31.6 Å²	31.6	22%	0.222	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	7.1	177.1	-66.6	-72.1	0	0	0	113.8	I610 M612 L616 I638	I610-H614 WeakPolarHBondContact O-CB 3.46Å; I610-H614 PolarHBondContact O-N 3.14Å; M612-H614 VanDerWaalsContact C-N 3.26Å; M612-H614 PolarHBondContact O-N 3.3Å; H614-L616 HydrophobicContact CB-CD1 3.56Å; H614-L616 VanDerWaalsContact O-CD1 3.3Å; H614-L616 WeakPolarHBondContact O-CD1 3.39Å; H614-L616 PolarHBondContact O-N 2.93Å; H614-I638 HydrophobicContact CB-CD1 3.87Å; H614-I638 WeakPolarHBondContact O-CD1 3.44Å
615	N	94.9	Very high	89.6	Confident	7 Å²	7	31.9 Å²	31.9	4%	0.037	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	37.5	176.1	-163.8	43.2	0	0	0	115.1	M611 M612 C617 T620 V647 T649 R652 G654	M611-N615 WeakPolarHBondContact O-CA 3.42Å; M611-N615 PolarHBondContact O-N 3.47Å; M612-N615 PolarHBondContact O-N 3.09Å; M612-N615 VanDerWaalsContact O-N 3.09Å; N615-C617 PolarHBondContact O-N 2.88Å; N615-T620 PolarHBondContact O-OG1 2.85Å; N615-V647 PolarHBondContact ND2-O 3.09Å; N615-T649 PolarHBondContact ND2-N 2.82Å; N615-R652 PolarHBondContact ND2-O 3.24Å; N615-G654 PolarHBondContact OD1-N 3.5Å
616	L	93.4	Very high	89.8	Confident	28 Å²	28	32 Å²	32	15%	0.147	17%	0.172	C	C	.	.			trans	-76.7	113.1	-178.8	-90.3	60.6	0	0	0	111.4	M611 H614 F646 F699	M611-L616 HydrophobicContact CG-CB 4.43Å; M611-L616 PolarHBondContact O-N 3.1Å; H614-L616 HydrophobicContact CB-CD1 3.56Å; H614-L616 VanDerWaalsContact O-CD1 3.3Å; H614-L616 WeakPolarHBondContact O-CD1 3.39Å; H614-L616 PolarHBondContact O-N 2.93Å; L616-F646 HydrophobicContact CB-CE1 4.31Å; L616-F646 HydrophobicContact CD1-CD1 4.5Å; L616-F646 HydrophobicContact CD1-CD2 4.47Å; L616-F646 HydrophobicContact CD1-CG 4.35Å; L616-F646 HydrophobicContact CG-CD1 4.23Å; L616-F646 HydrophobicContact CG-CD2 4.43Å; L616-F646 HydrophobicContact CG-CE1 4.02Å; L616-F646 HydrophobicContact CG-CE2 4.22Å; L616-F646 HydrophobicContact CG-CG 4.42Å; L616-F646 HydrophobicContact CG-CZ 4.02Å; L616-F699 HydrophobicContact CD2-CD2 4.42Å; L616-F699 HydrophobicContact CD2-CE2 3.93Å
617	C	93.2	Very high	89.7	Confident	6 Å²	6	32 Å²	32	4%	0.041	17%	0.173	C	C	.	.			trans	-149.3	159.3	176.4	-171.3	0	0	0	0	111.1	N615 T619 T620 L621 L655 L656	N615-C617 PolarHBondContact O-N 2.88Å; C617-T619 PolarHBondContact O-N 3.47Å; C617-T619 PolarHBondContact SG-OG1 2.9Å; C617-T620 HydrophobicContact CB-CG2 4.23Å; C617-T620 WeakPolarHBondContact CB-OG1 3.49Å; C617-T620 PolarHBondContact N-OG1 3.17Å; C617-T620 PolarHBondContact O-N 2.99Å; C617-T620 PolarHBondContact O-OG1 3.01Å; C617-L621 PolarHBondContact O-N 3.33Å; C617-L655 PolarHBondContact SG-N 3.41Å; C617-L656 HydrophobicContact CB-CB 4.46Å; C617-L656 PolarHBondContact SG-N 2.94Å
618	Y	91.5	Very high	89.7	Confident	109 Å²	109	37.8 Å²	37.8	43%	0.427	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-36.5	167.6	-59.9	-67	0	0	0	111.9	M198 F199 G200 L559 T620 L656	M198-Y618 HydrophobicContact CE-CD2 4.22Å; M198-Y618 CarbonylContact O-C 3.59Å; M198-Y618 WeakPolarHBondContact O-CB 3.4Å; F199-Y618 HydrophobicContact CD2-CD1 4.08Å; F199-Y618 HydrophobicContact CE2-CD1 4.21Å; G200-Y618 WeakPolarHBondContact CA-O 3.12Å; G200-Y618 PolarHBondContact N-O 2.98Å; L559-Y618 HydrophobicContact CD2-CE2 4.39Å; Y618-T620 VanDerWaalsContact C-N 3.31Å; Y618-T620 PolarHBondContact O-N 3.13Å; Y618-L656 HydrophobicContact CD2-CD1 4.16Å; Y618-L656 HydrophobicContact CE2-CD1 4.03Å; Y618-L656 HydrophobicContact CE2-CD2 4.49Å
619	T	93.3	Very high	89.7	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.012	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-6	-176.9	61.8	0	0	0	0	114.4	M198 L568 C617 R652 L655	M198-T619 HydrophobicContact CB-CG2 4.47Å; M198-T619 HydrophobicContact CG-CG2 3.69Å; M198-T619 WeakPolarHBondContact O-CG2 3.18Å; M198-T619 PolarHBondContact O-N 3.45Å; L568-T619 HydrophobicContact CD1-CG2 3.61Å; C617-T619 PolarHBondContact O-N 3.47Å; C617-T619 PolarHBondContact SG-OG1 2.9Å; T619-R652 WeakPolarHBondContact O-CD 3.03Å; T619-L655 HydrophobicContact CG2-CD1 3.87Å; T619-L655 HydrophobicContact CG2-CG 4.03Å
620	T	94.5	Very high	89.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-2.3	-176	58.2	0	0	0	0	113.3	N615 C617 Y618 F646 V647	N615-T620 PolarHBondContact O-OG1 2.85Å; C617-T620 HydrophobicContact CB-CG2 4.23Å; C617-T620 WeakPolarHBondContact CB-OG1 3.49Å; C617-T620 PolarHBondContact N-OG1 3.17Å; C617-T620 PolarHBondContact O-N 2.99Å; C617-T620 PolarHBondContact O-OG1 3.01Å; Y618-T620 VanDerWaalsContact C-N 3.31Å; Y618-T620 PolarHBondContact O-N 3.13Å; T620-F646 CarbonylContact O-C 3.57Å; T620-F646 WeakPolarHBondContact O-CA 3.28Å; T620-V647 PolarHBondContact O-N 3.16Å
621	L	94.5	Very high	89.3	Confident	43 Å²	43	52 Å²	52	23%	0.225	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-72.7	121.1	173.8	173.5	62.8	0	0	0	110.8	G200 Y201 C617 D644 F646	G200-L621 CarbonylContact C-O 3.45Å; G200-L621 VanDerWaalsContact CA-O 3.28Å; G200-L621 WeakPolarHBondContact CA-O 3.35Å; Y201-L621 PolarHBondContact N-O 3.31Å; C617-L621 PolarHBondContact O-N 3.33Å; L621-D644 HydrophobicContact CD1-CB 4.38Å; L621-F646 HydrophobicContact CB-CD1 4.24Å; L621-F646 HydrophobicContact CB-CE1 3.77Å; L621-F646 HydrophobicContact CB-CZ 4.18Å; L621-F646 HydrophobicContact CD1-CD2 4.42Å; L621-F646 HydrophobicContact CD1-CE1 4.15Å; L621-F646 HydrophobicContact CD1-CE2 3.88Å; L621-F646 HydrophobicContact CD1-CZ 3.73Å; L621-F646 HydrophobicContact CG-CZ 4.48Å
622	L	91.7	Very high	89.2	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.026	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-80.2	145.3	168.8	-64.6	84.5	0	0	0	109.7	A627 L632 F637 E645 V647	L622-A627 HydrophobicContact CD2-CB 3.68Å; L622-L632 HydrophobicContact CD2-CD1 3.75Å; L622-F637 HydrophobicContact CD1-CB 4.34Å; L622-E645 HydrophobicContact CB-CB 3.99Å; L622-E645 HydrophobicContact CD1-CB 4.18Å; L622-E645 WeakPolarHBondContact CD1-O 3.43Å; L622-E645 HydrophobicContact CG-CB 4.49Å; L622-E645 PolarHBondContact N-O 3.04Å; L622-V647 HydrophobicContact CD1-CB 4.3Å; L622-V647 HydrophobicContact CD1-CG2 3.48Å; L622-V647 VanDerWaalsContact CD1-CG2 3.48Å; L622-V647 VanDerWaalsContact CD1-N 3.26Å; L622-V647 HydrophobicContact CG-CG2 4.09Å
623	R	88.3	Confident	89	Confident	122 Å²	122	53 Å²	53	46%	0.46	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-84.9	147.9	162	-66.5	179.4	179.5	163.6	0.3	109.4	G625 T626	R623-G625 PolarHBondContact O-N 3.31Å; R623-T626 VanDerWaalsContact O-CB 3.22Å; R623-T626 WeakPolarHBondContact O-CB 3.44Å; R623-T626 PolarHBondContact O-N 3.43Å; R623-T626 PolarHBondContact O-OG1 3.24Å
624	P	85.6	Confident	88.5	Confident	127 Å²	127	58.8 Å²	58.8	83%	0.825	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	132.1	172.7	-28	35.7	0	0	0	111.8	T626	P624-T626 VanDerWaalsContact C-N 3.33Å
625	G	82.6	Confident	88.3	Confident	35 Å²	35	61.3 Å²	61.3	36%	0.361	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-11.2	-175	0	0	0	0	0	115.3	R623 Q628 K629	R623-G625 PolarHBondContact O-N 3.31Å; G625-Q628 VanDerWaalsContact C-OE1 3.27Å; G625-K629 WeakPolarHBondContact O-CG 3.36Å; G625-K629 PolarHBondContact O-N 3.29Å
626	T	84.9	Confident	88.1	Confident	20 Å²	20	63.7 Å²	63.7	12%	0.123	34%	0.337	C	S	.	.	H	α-helix	trans	-76.7	-35.1	178.5	-63.4	0	0	0	0	112.3	R623 P624 Q628 K629 L630	R623-T626 VanDerWaalsContact O-CB 3.22Å; R623-T626 WeakPolarHBondContact O-CB 3.44Å; R623-T626 PolarHBondContact O-N 3.43Å; R623-T626 PolarHBondContact O-OG1 3.24Å; P624-T626 VanDerWaalsContact C-N 3.33Å; T626-Q628 VanDerWaalsContact C-N 3.3Å; T626-Q628 PolarHBondContact O-N 2.68Å; T626-K629 PolarHBondContact O-N 2.84Å; T626-L630 HydrophobicContact CG2-CD1 3.68Å; T626-L630 HydrophobicContact CG2-CG 4.2Å; T626-L630 PolarHBondContact O-N 2.78Å
627	A	83.9	Confident	88.1	Confident	3 Å²	3	63.1 Å²	63.1	3%	0.025	33%	0.333	C	S	.	.	H	α-helix	trans	-55.8	-46.6	175.6	0	0	0	0	0	111.7	L622 L630 G631 L632	L622-A627 HydrophobicContact CD2-CB 3.68Å; A627-L630 PolarHBondContact O-N 2.81Å; A627-G631 PolarHBondContact O-N 3.44Å; A627-L632 PolarHBondContact O-N 3.06Å
628	Q	83.9	Confident	88	Confident	125 Å²	125	64.8 Å²	64.8	58%	0.584	34%	0.341	S	S	*	.	H	α-helix	trans	-68.4	-37.4	-179.3	-61.6	76.5	12.1	0	0	111.8	G625 T626 G631	G625-Q628 VanDerWaalsContact C-OE1 3.27Å; T626-Q628 VanDerWaalsContact C-N 3.3Å; T626-Q628 PolarHBondContact O-N 2.68Å; Q628-G631 PolarHBondContact O-N 3.42Å
629	K	85.2	Confident	87.9	Confident	184 Å²	184	66.3 Å²	66.3	80%	0.8	35%	0.346	S	S	*	.	H	α-helix	trans	-69.3	-32.6	176.6	-74.7	173.8	-179.9	-180	0	113.5	G625 T626	G625-K629 WeakPolarHBondContact O-CG 3.36Å; G625-K629 PolarHBondContact O-N 3.29Å; T626-K629 PolarHBondContact O-N 2.84Å
630	L	84.6	Confident	87.7	Confident	69 Å²	69	66.8 Å²	66.8	36%	0.361	35%	0.349	S	S	.	.	H	α-helix	trans	-90.4	-4.6	178.2	-69.4	175.5	0	0	0	113.3	Y201 T626 A627 L632	Y201-L630 HydrophobicContact CD1-CD1 3.95Å; Y201-L630 HydrophobicContact CE1-CD1 3.53Å; T626-L630 HydrophobicContact CG2-CD1 3.68Å; T626-L630 HydrophobicContact CG2-CG 4.2Å; T626-L630 PolarHBondContact O-N 2.78Å; A627-L630 PolarHBondContact O-N 2.81Å; L630-L632 VanDerWaalsContact C-N 3.27Å; L630-L632 HydrophobicContact CB-CD1 4.28Å; L630-L632 HydrophobicContact CB-CG 3.9Å; L630-L632 HydrophobicContact CD1-CD1 4.34Å; L630-L632 PolarHBondContact O-N 2.94Å
631	G	85.4	Confident	87.3	Confident	58 Å²	58	70.9 Å²	70.9	60%	0.598	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	25.4	-178	0	0	0	0	0	114.2	A627 Q628	A627-G631 PolarHBondContact O-N 3.44Å; Q628-G631 PolarHBondContact O-N 3.42Å
632	L	87.4	Confident	86.8	Confident	28 Å²	28	74.9 Å²	74.9	15%	0.147	40%	0.402	C	S	.	.			trans	-69.3	131.9	-175.9	-65.5	174.2	0	0	0	111.4	Y201 L622 A627 L630 Q636 F637	Y201-L632 HydrophobicContact CE1-CD1 4.18Å; L622-L632 HydrophobicContact CD2-CD1 3.75Å; A627-L632 PolarHBondContact O-N 3.06Å; L630-L632 VanDerWaalsContact C-N 3.27Å; L630-L632 HydrophobicContact CB-CD1 4.28Å; L630-L632 HydrophobicContact CB-CG 3.9Å; L630-L632 HydrophobicContact CD1-CD1 4.34Å; L630-L632 PolarHBondContact O-N 2.94Å; L632-Q636 HydrophobicContact CD2-CB 4.48Å; L632-F637 HydrophobicContact CB-CD1 4.31Å
633	T	86.3	Confident	86.6	Confident	62 Å²	62	77.1 Å²	77.1	38%	0.38	43%	0.426	S	S	.	.			trans	-83.7	159.4	179.6	53.3	0	0	0	0	112	D635 Q636 F637	T633-D635 WeakPolarHBondContact CB-OD1 3.46Å; T633-D635 PolarHBondContact O-N 3.04Å; T633-D635 VanDerWaalsContact O-N 3.13Å; T633-D635 PolarHBondContact OG1-OD1 2.96Å; T633-Q636 WeakPolarHBondContact O-CB 3.46Å; T633-Q636 PolarHBondContact O-N 2.96Å; T633-Q636 VanDerWaalsContact OG1-CG 3.3Å; T633-Q636 WeakPolarHBondContact OG1-CG 3.24Å; T633-Q636 PolarHBondContact OG1-NE2 3.29Å; T633-Q636 PolarHBondContact OG1-OE1 2.9Å; T633-F637 WeakPolarHBondContact O-CD1 3.35Å; T633-F637 WeakPolarHBondContact O-CE1 3.34Å
634	E	80.9	Confident	86.7	Confident	153 Å²	153	74.8 Å²	74.8	72%	0.715	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.9	-177	-60.1	-161.8	136.3	0	0	113.7	Q636	E634-Q636 VanDerWaalsContact C-N 3.33Å
635	D	87.3	Confident	87	Confident	102 Å²	102	69.8 Å²	69.8	55%	0.545	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-13.1	171.6	69.5	-75	0	0	0	113.6	T633 K648	T633-D635 WeakPolarHBondContact CB-OD1 3.46Å; T633-D635 PolarHBondContact O-N 3.04Å; T633-D635 VanDerWaalsContact O-N 3.13Å; T633-D635 PolarHBondContact OG1-OD1 2.96Å; D635-K648 VanDerWaalsContact C-NZ 3.32Å; D635-K648 WeakPolarHBondContact O-CD 3.19Å; D635-K648 WeakPolarHBondContact O-CE 3.38Å; D635-K648 PolarHBondContact O-NZ 3.21Å
636	Q	90.9	Very high	87.5	Confident	57 Å²	57	69.1 Å²	69.1	27%	0.266	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-16.3	-176.9	-68.1	171.3	-6.4	0	0	114.2	L632 T633 E634 V647 K648 V651	L632-Q636 HydrophobicContact CD2-CB 4.48Å; T633-Q636 WeakPolarHBondContact O-CB 3.46Å; T633-Q636 PolarHBondContact O-N 2.96Å; T633-Q636 VanDerWaalsContact OG1-CG 3.3Å; T633-Q636 WeakPolarHBondContact OG1-CG 3.24Å; T633-Q636 PolarHBondContact OG1-NE2 3.29Å; T633-Q636 PolarHBondContact OG1-OE1 2.9Å; E634-Q636 VanDerWaalsContact C-N 3.33Å; Q636-V647 WeakPolarHBondContact O-CG1 3.27Å; Q636-K648 PolarHBondContact O-N 3.1Å; Q636-V651 HydrophobicContact CB-CG2 4.25Å; Q636-V651 HydrophobicContact CG-CG2 4.42Å
637	F	93.2	Very high	88	Confident	16 Å²	16	68.2 Å²	68.2	7%	0.07	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	172.4	177.4	68.5	-85.9	0	0	0	112.7	L622 L632 T633 E645 F646 K648	L622-F637 HydrophobicContact CD1-CB 4.34Å; L632-F637 HydrophobicContact CB-CD1 4.31Å; T633-F637 WeakPolarHBondContact O-CD1 3.35Å; T633-F637 WeakPolarHBondContact O-CE1 3.34Å; F637-E645 HydrophobicContact CD2-CB 4.43Å; F637-E645 HydrophobicContact CD2-CG 4.24Å; F637-E645 HydrophobicContact CE2-CG 4.28Å; F637-F646 CarbonylContact C-O 3.58Å; F637-F646 VanDerWaalsContact CA-O 3.24Å; F637-F646 WeakPolarHBondContact CA-O 3.12Å; F637-F646 WeakPolarHBondContact CB-O 3.48Å; F637-K648 WeakPolarHBondContact O-CE 3.34Å
638	I	92.3	Very high	88.5	Confident	40 Å²	40	71.5 Å²	71.5	21%	0.205	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	155.9	172.4	61.1	171.5	0	0	0	110	H614 E645 F646 K648	H614-I638 HydrophobicContact CB-CD1 3.87Å; H614-I638 WeakPolarHBondContact O-CD1 3.44Å; I638-E645 WeakPolarHBondContact O-CA 3.5Å; I638-F646 HydrophobicContact CG1-CB 4.01Å; I638-F646 PolarHBondContact N-O 2.88Å; I638-F646 PolarHBondContact O-N 3.25Å; I638-K648 HydrophobicContact CG2-CD 4.26Å; I638-K648 HydrophobicContact CG2-CG 4Å
639	R	89.6	Confident	88.9	Confident	142 Å²	142	70 Å²	70	54%	0.536	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.2	167.3	-76	174.9	-177.5	131.3	7.9	110.4	D644 E645	R639-D644 CarbonylContact C-O 3.59Å; R639-D644 VanDerWaalsContact CA-O 3.3Å; R639-D644 WeakPolarHBondContact CA-O 3.25Å; R639-E645 HydrophobicContact CG-CG 3.72Å; R639-E645 IonicContact CZ-OE1 2.69Å; R639-E645 IonicContact NE-OE1 3.29Å; R639-E645 PolarHBondContact NE-OE1 2.71Å; R639-E645 IonicContact NH2-OE1 3.13Å; R639-E645 PolarHBondContact NH2-OE1 3.11Å
640	T	89.5	Confident	89.2	Confident	12 Å²	12	65.6 Å²	65.6	7%	0.074	38%	0.375	C	S	.	.			trans	-77.5	160.7	171.9	75.4	0	0	0	0	110.4	T642 G643 D644 F646 F699	T640-T642 PolarHBondContact O-N 3.09Å; T640-T642 VanDerWaalsContact O-N 3.11Å; T640-T642 PolarHBondContact OG1-N 2.8Å; T640-G643 PolarHBondContact O-N 2.76Å; T640-G643 PolarHBondContact OG1-N 2.83Å; T640-D644 HydrophobicContact CG2-CB 3.92Å; T640-D644 PolarHBondContact N-O 2.86Å; T640-D644 PolarHBondContact OG1-N 3.09Å; T640-D644 VanDerWaalsContact OG1-N 3.09Å; T640-D644 PolarHBondContact OG1-OD2 2.88Å; T640-F646 HydrophobicContact CG2-CD2 3.71Å; T640-F646 HydrophobicContact CG2-CE2 3.78Å; T640-F699 HydrophobicContact CG2-CE2 4.01Å; T640-F699 HydrophobicContact CG2-CZ 3.96Å
641	P	84.7	Confident	89.6	Confident	86 Å²	86	64 Å²	64	56%	0.558	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-13.8	170.4	-24.7	35.7	0	0	0	114.7
642	T	84.8	Confident	89.9	Confident	126 Å²	126	62.8 Å²	62.8	77%	0.773	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-22.6	174.1	-44.1	0	0	0	0	112	T640 D644	T640-T642 PolarHBondContact O-N 3.09Å; T640-T642 VanDerWaalsContact O-N 3.11Å; T640-T642 PolarHBondContact OG1-N 2.8Å; T642-D644 WeakPolarHBondContact CB-OD2 3.15Å
643	G	86.8	Confident	90.2	Very high	52 Å²	52	65.2 Å²	65.2	54%	0.536	36%	0.355	S	S	.	.	S	Bend	trans	113.2	-6.8	-178.8	0	0	0	0	0	115.2	T640	T640-G643 PolarHBondContact O-N 2.76Å; T640-G643 PolarHBondContact OG1-N 2.83Å
644	D	90.4	Very high	90.5	Very high	73 Å²	73	62.2 Å²	62.2	39%	0.39	34%	0.337	S	S	.	.			trans	-67.7	149	179.3	-40.6	-82.3	0	0	0	111.8	L621 R639 T640 T642 F646	L621-D644 HydrophobicContact CD1-CB 4.38Å; R639-D644 CarbonylContact C-O 3.59Å; R639-D644 VanDerWaalsContact CA-O 3.3Å; R639-D644 WeakPolarHBondContact CA-O 3.25Å; T640-D644 HydrophobicContact CG2-CB 3.92Å; T640-D644 PolarHBondContact N-O 2.86Å; T640-D644 PolarHBondContact OG1-N 3.09Å; T640-D644 VanDerWaalsContact OG1-N 3.09Å; T640-D644 PolarHBondContact OG1-OD2 2.88Å; T642-D644 WeakPolarHBondContact CB-OD2 3.15Å; D644-F646 HydrophobicContact CB-CD2 4.24Å; D644-F646 HydrophobicContact CB-CE2 3.81Å
645	E	92.5	Very high	91	Very high	23 Å²	23	55 Å²	55	11%	0.107	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.6	176.9	-72.2	176	155.4	0	0	110.7	L622 F637 I638 R639	L622-E645 HydrophobicContact CB-CB 3.99Å; L622-E645 HydrophobicContact CD1-CB 4.18Å; L622-E645 WeakPolarHBondContact CD1-O 3.43Å; L622-E645 HydrophobicContact CG-CB 4.49Å; L622-E645 PolarHBondContact N-O 3.04Å; F637-E645 HydrophobicContact CD2-CB 4.43Å; F637-E645 HydrophobicContact CD2-CG 4.24Å; F637-E645 HydrophobicContact CE2-CG 4.28Å; I638-E645 WeakPolarHBondContact O-CA 3.5Å; R639-E645 HydrophobicContact CG-CG 3.72Å; R639-E645 IonicContact CZ-OE1 2.69Å; R639-E645 IonicContact NE-OE1 3.29Å; R639-E645 PolarHBondContact NE-OE1 2.71Å; R639-E645 IonicContact NH2-OE1 3.13Å; R639-E645 PolarHBondContact NH2-OE1 3.11Å
646	F	94.1	Very high	91.2	Very high	21 Å²	21	51.3 Å²	51.3	9%	0.092	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.2	178.1	-77.9	-94.9	0	0	0	111.8	L616 T620 L621 F637 I638 T640 D644	L616-F646 HydrophobicContact CB-CE1 4.31Å; L616-F646 HydrophobicContact CD1-CD1 4.5Å; L616-F646 HydrophobicContact CD1-CD2 4.47Å; L616-F646 HydrophobicContact CD1-CG 4.35Å; L616-F646 HydrophobicContact CG-CD1 4.23Å; L616-F646 HydrophobicContact CG-CD2 4.43Å; L616-F646 HydrophobicContact CG-CE1 4.02Å; L616-F646 HydrophobicContact CG-CE2 4.22Å; L616-F646 HydrophobicContact CG-CG 4.42Å; L616-F646 HydrophobicContact CG-CZ 4.02Å; T620-F646 CarbonylContact O-C 3.57Å; T620-F646 WeakPolarHBondContact O-CA 3.28Å; L621-F646 HydrophobicContact CB-CD1 4.24Å; L621-F646 HydrophobicContact CB-CE1 3.77Å; L621-F646 HydrophobicContact CB-CZ 4.18Å; L621-F646 HydrophobicContact CD1-CD2 4.42Å; L621-F646 HydrophobicContact CD1-CE1 4.15Å; L621-F646 HydrophobicContact CD1-CE2 3.88Å; L621-F646 HydrophobicContact CD1-CZ 3.73Å; L621-F646 HydrophobicContact CG-CZ 4.48Å; F637-F646 CarbonylContact C-O 3.58Å; F637-F646 VanDerWaalsContact CA-O 3.24Å; F637-F646 WeakPolarHBondContact CA-O 3.12Å; F637-F646 WeakPolarHBondContact CB-O 3.48Å; I638-F646 HydrophobicContact CG1-CB 4.01Å; I638-F646 PolarHBondContact N-O 2.88Å; I638-F646 PolarHBondContact O-N 3.25Å; T640-F646 HydrophobicContact CG2-CD2 3.71Å; T640-F646 HydrophobicContact CG2-CE2 3.78Å; D644-F646 HydrophobicContact CB-CD2 4.24Å; D644-F646 HydrophobicContact CB-CE2 3.81Å
647	V	94.6	Very high	91.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	141.4	178	-154.3	0	0	0	0	110.4	Y201 N615 T620 L622 Q636 V651	Y201-V647 HydrophobicContact CD1-CG2 3.46Å; Y201-V647 VanDerWaalsContact CD1-CG2 3.46Å; Y201-V647 HydrophobicContact CD2-CG2 4.31Å; Y201-V647 HydrophobicContact CE1-CG2 3.92Å; Y201-V647 HydrophobicContact CG-CG2 3.67Å; N615-V647 PolarHBondContact ND2-O 3.09Å; T620-V647 PolarHBondContact O-N 3.16Å; L622-V647 HydrophobicContact CD1-CB 4.3Å; L622-V647 HydrophobicContact CD1-CG2 3.48Å; L622-V647 VanDerWaalsContact CD1-CG2 3.48Å; L622-V647 VanDerWaalsContact CD1-N 3.26Å; L622-V647 HydrophobicContact CG-CG2 4.09Å; Q636-V647 WeakPolarHBondContact O-CG1 3.27Å; V647-V651 HydrophobicContact CG1-CB 3.52Å; V647-V651 HydrophobicContact CG1-CG1 3.97Å; V647-V651 HydrophobicContact CG1-CG2 3.68Å
648	K	93.5	Very high	91.1	Very high	72 Å²	72	50.5 Å²	50.5	31%	0.313	28%	0.28	S	S	.	.			trans	-72.8	159	174	-64.7	-172.8	-158.5	164	0	111.7	D635 Q636 F637 I638 S650 V651	D635-K648 VanDerWaalsContact C-NZ 3.32Å; D635-K648 WeakPolarHBondContact O-CD 3.19Å; D635-K648 WeakPolarHBondContact O-CE 3.38Å; D635-K648 PolarHBondContact O-NZ 3.21Å; Q636-K648 PolarHBondContact O-N 3.1Å; F637-K648 WeakPolarHBondContact O-CE 3.34Å; I638-K648 HydrophobicContact CG2-CD 4.26Å; I638-K648 HydrophobicContact CG2-CG 4Å; K648-S650 PolarHBondContact O-N 3.3Å; K648-V651 PolarHBondContact O-N 2.69Å; K648-V651 VanDerWaalsContact O-N 3.08Å
649	T	93.6	Very high	90.8	Very high	95 Å²	95	49.1 Å²	49.1	58%	0.583	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-11	-179.6	-168.3	0	0	0	0	114.7	N615 V651	N615-T649 PolarHBondContact ND2-N 2.82Å; T649-V651 PolarHBondContact O-N 2.84Å
650	S	91.9	Very high	90.7	Very high	90 Å²	90	43.7 Å²	43.7	63%	0.629	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.9	173.1	45.7	0	0	0	0	113.7	K648	K648-S650 PolarHBondContact O-N 3.3Å
651	V	91.9	Very high	90.7	Very high	37 Å²	37	48 Å²	48	22%	0.224	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-49.9	177.3	-173.7	0	0	0	0	110.7	Y201 H204 Q636 V647 K648 T649	Y201-V651 WeakPolarHBondContact OH-CG1 3.3Å; H204-V651 PolarHBondContact CE1-O 3.15Å; H204-V651 PolarHBondContact NE2-O 3Å; Q636-V651 HydrophobicContact CB-CG2 4.25Å; Q636-V651 HydrophobicContact CG-CG2 4.42Å; V647-V651 HydrophobicContact CG1-CB 3.52Å; V647-V651 HydrophobicContact CG1-CG1 3.97Å; V647-V651 HydrophobicContact CG1-CG2 3.68Å; K648-V651 PolarHBondContact O-N 2.69Å; K648-V651 VanDerWaalsContact O-N 3.08Å; T649-V651 PolarHBondContact O-N 2.84Å
652	R	90.9	Very high	90.7	Very high	31 Å²	31	47.9 Å²	47.9	12%	0.117	27%	0.269	C	S	.	.			trans	-148	130.5	176.5	-171	-175.9	-70.1	-134.7	16.7	111	E196 G203 N615 T619	E196-R652 IonicContact OE1-CZ 3.75Å; E196-R652 IonicContact OE1-NH2 3.8Å; E196-R652 PolarHBondContact OE1-NH2 2.81Å; E196-R652 IonicContact OE2-CZ 2.71Å; E196-R652 IonicContact OE2-NH1 3.48Å; E196-R652 PolarHBondContact OE2-NH1 2.61Å; E196-R652 IonicContact OE2-NH2 3.55Å; E196-R652 PolarHBondContact OE2-NH2 3.22Å; G203-R652 PolarHBondContact O-NH2 3.04Å; N615-R652 PolarHBondContact ND2-O 3.24Å; T619-R652 WeakPolarHBondContact O-CD 3.03Å
653	K	94.3	Very high	90.6	Very high	79 Å²	79	43.4 Å²	43.4	34%	0.343	24%	0.24	S	C	.	.			trans	-77.3	136.6	167.7	-169.3	179.4	-176.6	-175	0	108.9	Q658 E661	K653-Q658 HydrophobicContact CD-CG 3.82Å; K653-Q658 HydrophobicContact CG-CG 4.29Å; K653-E661 IonicContact NZ-OE2 3.38Å; K653-E661 PolarHBondContact NZ-OE2 3.1Å
654	G	94	Very high	90.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.			trans	-77.3	148.9	176.5	0	0	0	0	0	113.9	N615 P657 Q658	N615-G654 PolarHBondContact OD1-N 3.5Å; G654-P657 WeakPolarHBondContact O-CD 3.19Å; G654-Q658 WeakPolarHBondContact O-CG 3.43Å; G654-Q658 PolarHBondContact O-NE2 3.08Å
655	L	91.3	Very high	90.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-46.3	170.5	-58	178.2	0	0	0	112.7	M198 L559 Q562 A563 E566 L568 C617 T619 Q658 I659	M198-L655 HydrophobicContact CG-CD1 4.06Å; M198-L655 HydrophobicContact SD-CD1 4.08Å; L559-L655 HydrophobicContact CD1-CB 4.07Å; L559-L655 HydrophobicContact CD1-CD1 3.87Å; Q562-L655 HydrophobicContact CB-CD2 4.02Å; A563-L655 HydrophobicContact CB-CD1 4.03Å; E566-L655 HydrophobicContact CB-CD2 4.47Å; E566-L655 VanDerWaalsContact CD-CD2 3.4Å; E566-L655 HydrophobicContact CG-CD2 4.15Å; E566-L655 WeakPolarHBondContact OE1-CD2 3.25Å; E566-L655 WeakPolarHBondContact OE2-CD2 3.3Å; L568-L655 HydrophobicContact CD1-CD1 4.04Å; L568-L655 HydrophobicContact CD1-CD2 4.33Å; L568-L655 HydrophobicContact CD1-CG 4.34Å; C617-L655 PolarHBondContact SG-N 3.41Å; T619-L655 HydrophobicContact CG2-CD1 3.87Å; T619-L655 HydrophobicContact CG2-CG 4.03Å; L655-Q658 WeakPolarHBondContact O-CB 3.08Å; L655-Q658 PolarHBondContact O-N 2.89Å; L655-I659 WeakPolarHBondContact O-CG1 3.25Å; L655-I659 PolarHBondContact O-N 2.76Å; L655-I659 VanDerWaalsContact O-N 3.1Å
656	L	90.3	Very high	89.6	Confident	26 Å²	26	40.9 Å²	40.9	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-44.2	-177.5	-61.8	-176.6	0	0	0	112.7	L559 M611 C617 Y618 Q658 I659 L660	L559-L656 HydrophobicContact CD1-CD2 4.02Å; M611-L656 HydrophobicContact CE-CB 4.05Å; M611-L656 HydrophobicContact CE-CD1 3.73Å; C617-L656 HydrophobicContact CB-CB 4.46Å; C617-L656 PolarHBondContact SG-N 2.94Å; Y618-L656 HydrophobicContact CD2-CD1 4.16Å; Y618-L656 HydrophobicContact CE2-CD1 4.03Å; Y618-L656 HydrophobicContact CE2-CD2 4.49Å; L656-Q658 VanDerWaalsContact C-N 3.31Å; L656-Q658 PolarHBondContact O-N 3.14Å; L656-I659 HydrophobicContact CD2-CD1 4.37Å; L656-I659 PolarHBondContact O-N 3.07Å; L656-L660 WeakPolarHBondContact O-CB 3.22Å; L656-L660 WeakPolarHBondContact O-CD1 3.49Å; L656-L660 VanDerWaalsContact O-CG 3.23Å; L656-L660 WeakPolarHBondContact O-CG 3.15Å; L656-L660 PolarHBondContact O-N 2.87Å
657	P	91.6	Very high	89	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.032	22%	0.221	C	C	.	.	H	α-helix	trans	-47.8	-46.1	166.9	-32.6	34.4	0	0	0	114.8	M612 G654 L660 E661	M612-P657 HydrophobicContact CG-CB 4.2Å; G654-P657 WeakPolarHBondContact O-CD 3.19Å; P657-L660 PolarHBondContact O-N 3.16Å; P657-E661 VanDerWaalsContact O-CB 3.25Å; P657-E661 WeakPolarHBondContact O-CB 3.23Å; P657-E661 PolarHBondContact O-N 3.04Å
658	Q	90.6	Very high	88.4	Confident	50 Å²	50	49.3 Å²	49.3	23%	0.234	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-40.8	-177.8	-62.9	178.6	87.2	0	0	112.2	E566 K653 G654 L655 L656 E661 N662	E566-Q658 PolarHBondContact OE1-NE2 2.86Å; K653-Q658 HydrophobicContact CD-CG 3.82Å; K653-Q658 HydrophobicContact CG-CG 4.29Å; G654-Q658 WeakPolarHBondContact O-CG 3.43Å; G654-Q658 PolarHBondContact O-NE2 3.08Å; L655-Q658 WeakPolarHBondContact O-CB 3.08Å; L655-Q658 PolarHBondContact O-N 2.89Å; L656-Q658 VanDerWaalsContact C-N 3.31Å; L656-Q658 PolarHBondContact O-N 3.14Å; Q658-E661 PolarHBondContact O-N 3.39Å; Q658-N662 PolarHBondContact O-N 3.27Å; Q658-N662 VanDerWaalsContact O-N 3.14Å
659	I	87	Confident	87.8	Confident	11 Å²	11	52.2 Å²	52.2	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-43	175.8	-62.3	167.1	0	0	0	110.6	Q558 L559 Q562 L655 L656 N662 L663	Q558-I659 HydrophobicContact CB-CD1 4.33Å; Q558-I659 HydrophobicContact CB-CG1 4.5Å; Q558-I659 HydrophobicContact CB-CG2 4.04Å; L559-I659 HydrophobicContact CB-CD1 4.26Å; L559-I659 HydrophobicContact CD1-CD1 4.06Å; Q562-I659 HydrophobicContact CG-CD1 4.28Å; Q562-I659 HydrophobicContact CG-CG1 3.79Å; L655-I659 WeakPolarHBondContact O-CG1 3.25Å; L655-I659 PolarHBondContact O-N 2.76Å; L655-I659 VanDerWaalsContact O-N 3.1Å; L656-I659 HydrophobicContact CD2-CD1 4.37Å; L656-I659 PolarHBondContact O-N 3.07Å; I659-N662 PolarHBondContact O-N 2.63Å; I659-L663 HydrophobicContact CG2-CD1 3.93Å; I659-L663 WeakPolarHBondContact O-CB 3.29Å; I659-L663 VanDerWaalsContact O-CG 3.31Å; I659-L663 WeakPolarHBondContact O-CG 2.93Å; I659-L663 PolarHBondContact O-N 3.19Å
660	L	87.3	Confident	87	Confident	28 Å²	28	47.9 Å²	47.9	15%	0.147	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-38.3	178.2	-67.8	167.2	0	0	0	112.3	P608 M611 M612 L656 P657 L663 L664	P608-L660 HydrophobicContact CB-CD2 4.05Å; P608-L660 HydrophobicContact CG-CD2 4.19Å; M611-L660 HydrophobicContact CB-CD1 3.66Å; M611-L660 HydrophobicContact CE-CD1 4.01Å; M611-L660 HydrophobicContact CG-CD1 4.43Å; M611-L660 HydrophobicContact SD-CD1 4.01Å; M612-L660 HydrophobicContact CG-CB 4.14Å; M612-L660 HydrophobicContact SD-CB 4.14Å; L656-L660 WeakPolarHBondContact O-CB 3.22Å; L656-L660 WeakPolarHBondContact O-CD1 3.49Å; L656-L660 VanDerWaalsContact O-CG 3.23Å; L656-L660 WeakPolarHBondContact O-CG 3.15Å; L656-L660 PolarHBondContact O-N 2.87Å; P657-L660 PolarHBondContact O-N 3.16Å; L660-L663 PolarHBondContact O-N 3.48Å; L660-L664 WeakPolarHBondContact O-CB 3.38Å; L660-L664 VanDerWaalsContact O-CG 3.25Å; L660-L664 WeakPolarHBondContact O-CG 3.27Å; L660-L664 PolarHBondContact O-N 2.83Å
661	E	88.5	Confident	86.5	Confident	103 Å²	103	47.9 Å²	47.9	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-60	-45.3	175.4	-176.4	164.6	-145.4	0	0	111.2	M612 K653 P657 Q658 S665	M612-E661 HydrophobicContact SD-CB 4.11Å; K653-E661 IonicContact NZ-OE2 3.38Å; K653-E661 PolarHBondContact NZ-OE2 3.1Å; P657-E661 VanDerWaalsContact O-CB 3.25Å; P657-E661 WeakPolarHBondContact O-CB 3.23Å; P657-E661 PolarHBondContact O-N 3.04Å; Q658-E661 PolarHBondContact O-N 3.39Å; E661-S665 WeakPolarHBondContact O-CB 3.36Å; E661-S665 PolarHBondContact O-N 2.92Å
662	N	85.1	Confident	86.2	Confident	83 Å²	83	48.7 Å²	48.7	44%	0.444	24%	0.237	S	C	.	.	H	α-helix	trans	-64.8	-49.2	173.5	-173.3	9	0	0	0	112.5	Q658 I659 L664 S665 A666	Q658-N662 PolarHBondContact O-N 3.27Å; Q658-N662 VanDerWaalsContact O-N 3.14Å; I659-N662 PolarHBondContact O-N 2.63Å; N662-L664 VanDerWaalsContact C-N 3.29Å; N662-L664 PolarHBondContact O-N 3.17Å; N662-S665 WeakPolarHBondContact O-CA 3.45Å; N662-S665 WeakPolarHBondContact O-CB 3.29Å; N662-S665 PolarHBondContact O-N 3.43Å; N662-S665 VanDerWaalsContact O-N 3.08Å; N662-A666 PolarHBondContact O-N 2.91Å
663	L	83.1	Confident	85.6	Confident	32 Å²	32	51.3 Å²	51.3	17%	0.168	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-38.5	179	-75.1	169.9	0	0	0	112.6	V538 I659 L660 R667 L693	V538-L663 HydrophobicContact CG1-CD2 3.87Å; I659-L663 HydrophobicContact CG2-CD1 3.93Å; I659-L663 WeakPolarHBondContact O-CB 3.29Å; I659-L663 VanDerWaalsContact O-CG 3.31Å; I659-L663 WeakPolarHBondContact O-CG 2.93Å; I659-L663 PolarHBondContact O-N 3.19Å; L660-L663 PolarHBondContact O-N 3.48Å; L663-R667 WeakPolarHBondContact O-CB 3.37Å; L663-R667 PolarHBondContact O-N 3.09Å; L663-L693 HydrophobicContact CD2-CD2 4.21Å
664	L	83.9	Confident	85	Confident	36 Å²	36	48.6 Å²	48.6	19%	0.188	24%	0.24	C	C	.	.	H	α-helix	trans	-73.2	-33.9	175.3	-71.4	171.1	0	0	0	112.5	S605 P608 M612 L660 N662 R667 K668	S605-L664 WeakPolarHBondContact OG-CD2 3.44Å; P608-L664 HydrophobicContact CB-CD1 3.9Å; P608-L664 HydrophobicContact CB-CG 4.5Å; M612-L664 HydrophobicContact CE-CD1 3.26Å; M612-L664 HydrophobicContact SD-CD1 4.1Å; L660-L664 WeakPolarHBondContact O-CB 3.38Å; L660-L664 VanDerWaalsContact O-CG 3.25Å; L660-L664 WeakPolarHBondContact O-CG 3.27Å; L660-L664 PolarHBondContact O-N 2.83Å; N662-L664 VanDerWaalsContact C-N 3.29Å; N662-L664 PolarHBondContact O-N 3.17Å; L664-R667 PolarHBondContact O-N 2.64Å; L664-K668 VanDerWaalsContact O-CB 3.28Å; L664-K668 WeakPolarHBondContact O-CB 3.32Å; L664-K668 PolarHBondContact O-N 2.83Å
665	S	84.1	Confident	84.4	Confident	56 Å²	56	52.1 Å²	52.1	39%	0.392	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-46.3	170.9	-173.8	0	0	0	0	111.2	E661 N662 K668 R669	E661-S665 WeakPolarHBondContact O-CB 3.36Å; E661-S665 PolarHBondContact O-N 2.92Å; N662-S665 WeakPolarHBondContact O-CA 3.45Å; N662-S665 WeakPolarHBondContact O-CB 3.29Å; N662-S665 PolarHBondContact O-N 3.43Å; N662-S665 VanDerWaalsContact O-N 3.08Å; S665-K668 PolarHBondContact O-N 2.95Å; S665-R669 WeakPolarHBondContact O-CG 3.31Å; S665-R669 PolarHBondContact O-N 3.32Å; S665-R669 VanDerWaalsContact O-N 3.08Å; S665-R669 PolarHBondContact OG-NH1 3.39Å
666	A	79.1	Confident	84.3	Confident	4 Å²	4	60.5 Å²	60.5	3%	0.033	31%	0.306	C	S	.	.	H	α-helix	trans	-59.9	-48.9	173.2	0	0	0	0	0	112	V538 N662 K668 R669 A670	V538-A666 HydrophobicContact CG1-CB 4.48Å; N662-A666 PolarHBondContact O-N 2.91Å; A666-K668 VanDerWaalsContact C-N 3.28Å; A666-K668 PolarHBondContact O-N 2.94Å; A666-R669 WeakPolarHBondContact O-CB 3.4Å; A666-R669 PolarHBondContact O-N 3.47Å; A666-R669 VanDerWaalsContact O-N 3.14Å; A666-A670 PolarHBondContact O-N 3.38Å
667	R	81.7	Confident	84.1	Confident	31 Å²	31	61.1 Å²	61.1	12%	0.117	31%	0.308	C	S	.	.	H	α-helix	trans	-59.1	-36.5	176	-166.9	-179.4	175.9	-133.2	-5.7	112.7	S605 L663 L664 A670 K671 Q690 L693	S605-R667 PolarHBondContact OG-NH1 2.9Å; L663-R667 WeakPolarHBondContact O-CB 3.37Å; L663-R667 PolarHBondContact O-N 3.09Å; L664-R667 PolarHBondContact O-N 2.64Å; R667-A670 PolarHBondContact O-N 3.42Å; R667-K671 PolarHBondContact O-N 3.48Å; R667-Q690 HydrophobicContact CG-CB 4.12Å; R667-Q690 VanDerWaalsContact CZ-OE1 3.28Å; R667-Q690 PolarHBondContact NE-O 3.05Å; R667-L693 HydrophobicContact CB-CD1 3.76Å; R667-L693 HydrophobicContact CG-CB 4.48Å; R667-L693 HydrophobicContact CG-CD1 4.1Å
668	K	82.6	Confident	83.8	Confident	166 Å²	166	67 Å²	67	72%	0.722	34%	0.344	S	S	*	.	H	α-helix	trans	-66.9	-39.5	177	-171.6	179.9	-179.1	-176.3	0	111.6	L664 S665 A666 A672	L664-K668 VanDerWaalsContact O-CB 3.28Å; L664-K668 WeakPolarHBondContact O-CB 3.32Å; L664-K668 PolarHBondContact O-N 2.83Å; S665-K668 PolarHBondContact O-N 2.95Å; A666-K668 VanDerWaalsContact C-N 3.28Å; A666-K668 PolarHBondContact O-N 2.94Å; K668-A672 WeakPolarHBondContact O-CB 3.4Å; K668-A672 PolarHBondContact O-N 2.98Å
669	R	81.1	Confident	83.5	Confident	134 Å²	134	67.8 Å²	67.8	51%	0.506	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-49.2	172.1	-65.6	-170.8	-61.4	-91.1	13.4	111	S665 A666 K671 A672 E673	S665-R669 WeakPolarHBondContact O-CG 3.31Å; S665-R669 PolarHBondContact O-N 3.32Å; S665-R669 VanDerWaalsContact O-N 3.08Å; S665-R669 PolarHBondContact OG-NH1 3.39Å; A666-R669 WeakPolarHBondContact O-CB 3.4Å; A666-R669 PolarHBondContact O-N 3.47Å; A666-R669 VanDerWaalsContact O-N 3.14Å; R669-K671 PolarHBondContact O-N 3.3Å; R669-A672 PolarHBondContact O-N 3.38Å; R669-E673 PolarHBondContact O-N 3.4Å
670	A	77.8	Confident	83.2	Confident	3 Å²	3	72.1 Å²	72.1	3%	0.025	38%	0.379	C	S	.	.	H	α-helix	trans	-60	-41.6	177.1	0	0	0	0	0	113.2	A666 R667 A672 E673 L674	A666-A670 PolarHBondContact O-N 3.38Å; R667-A670 PolarHBondContact O-N 3.42Å; A670-A672 VanDerWaalsContact C-N 3.33Å; A670-A672 PolarHBondContact O-N 3.31Å; A670-E673 PolarHBondContact O-N 2.93Å; A670-L674 WeakPolarHBondContact O-CB 3.43Å; A670-L674 PolarHBondContact O-N 3.04Å
671	K	80.8	Confident	82.6	Confident	90 Å²	90	72.2 Å²	72.2	39%	0.391	38%	0.379	S	S	.	.	H	α-helix	trans	-64.4	-33.7	173.1	-75.6	-169.8	75.6	-179	0	112.8	R667 R669 A675 Q690	R667-K671 PolarHBondContact O-N 3.48Å; R669-K671 PolarHBondContact O-N 3.3Å; K671-A675 WeakPolarHBondContact O-CB 3.2Å; K671-A675 PolarHBondContact O-N 3.43Å; K671-Q690 HydrophobicContact CG-CB 4.29Å; K671-Q690 HydrophobicContact CG-CG 4.21Å
672	A	84.5	Confident	82	Confident	55 Å²	55	72.8 Å²	72.8	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-75.4	-24.8	177.8	0	0	0	0	0	113.4	K668 R669 A670	K668-A672 WeakPolarHBondContact O-CB 3.4Å; K668-A672 PolarHBondContact O-N 2.98Å; R669-A672 PolarHBondContact O-N 3.38Å; A670-A672 VanDerWaalsContact C-N 3.33Å; A670-A672 PolarHBondContact O-N 3.31Å
673	E	79.3	Confident	81.8	Confident	85 Å²	85	73.8 Å²	73.8	40%	0.397	37%	0.374	S	S	.	.	H	α-helix	trans	-74.2	-51.7	170	-164.8	-175	135.6	0	0	110.5	R669 A670 A675 K676 E677 R689	R669-E673 PolarHBondContact O-N 3.4Å; A670-E673 PolarHBondContact O-N 2.93Å; E673-A675 PolarHBondContact O-N 3.38Å; E673-A675 VanDerWaalsContact O-N 3.15Å; E673-K676 PolarHBondContact O-N 3.22Å; E673-E677 PolarHBondContact O-N 2.91Å; E673-R689 IonicContact OE1-NH1 2.86Å; E673-R689 PolarHBondContact OE1-NH1 2.97Å; E673-R689 IonicContact OE2-CZ 3.84Å; E673-R689 IonicContact OE2-NH1 2.74Å; E673-R689 PolarHBondContact OE2-NH1 2.66Å; E673-R689 IonicContact OE2-NH2 3.15Å; E673-R689 PolarHBondContact OE2-NH2 2.75Å
674	L	81.5	Confident	81.3	Confident	22 Å²	22	77.6 Å²	77.6	12%	0.115	39%	0.391	C	S	.	.	H	α-helix	trans	-53.9	-31.8	173.1	172.6	59.7	0	0	0	113.5	A670 K676 R683 L686 D687	A670-L674 WeakPolarHBondContact O-CB 3.43Å; A670-L674 PolarHBondContact O-N 3.04Å; L674-K676 PolarHBondContact O-N 2.87Å; L674-R683 HydrophobicContact CD1-CB 3.9Å; L674-R683 HydrophobicContact CD1-CG 4.13Å; L674-R683 VanDerWaalsContact CD1-O 3.25Å; L674-R683 WeakPolarHBondContact CD1-O 3.24Å; L674-R683 PolarHBondContact O-NH1 3.12Å; L674-L686 HydrophobicContact CB-CB 4.12Å; L674-L686 HydrophobicContact CD1-CB 3.93Å; L674-L686 HydrophobicContact CG-CB 4.49Å; L674-D687 HydrophobicContact CD2-CB 4.23Å
675	A	81.6	Confident	80.6	Confident	75 Å²	75	76.1 Å²	76.1	62%	0.62	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.4	176.6	0	0	0	0	0	113.6	K671 E673	K671-A675 WeakPolarHBondContact O-CB 3.2Å; K671-A675 PolarHBondContact O-N 3.43Å; E673-A675 PolarHBondContact O-N 3.38Å; E673-A675 VanDerWaalsContact O-N 3.15Å
676	K	88.9	Confident	80.2	Confident	175 Å²	175	73.6 Å²	73.6	76%	0.761	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-27.3	-176.7	-59.9	175.9	-177.4	-178.6	0	113.9	E673 L674	E673-K676 PolarHBondContact O-N 3.22Å; L674-K676 PolarHBondContact O-N 2.87Å
677	E	85.9	Confident	79.9	Confident	39 Å²	39	76.4 Å²	76.4	18%	0.182	38%	0.381	C	S	.	.			trans	-63.3	135.7	-178.3	-179	58.9	-86.5	0	0	111.6	E673 D679 R682 R683 L686	E673-E677 PolarHBondContact O-N 2.91Å; E677-D679 PolarHBondContact OE1-N 2.94Å; E677-R682 HydrophobicContact CG-CB 3.64Å; E677-R682 WeakPolarHBondContact OE2-CB 3.35Å; E677-R682 WeakPolarHBondContact OE2-CD 3.31Å; E677-R682 IonicContact OE2-CZ 2.74Å; E677-R682 IonicContact OE2-NE 3.61Å; E677-R682 PolarHBondContact OE2-NE 3.46Å; E677-R682 IonicContact OE2-NH2 2.8Å; E677-R683 HydrophobicContact CB-CG 4.03Å; E677-R683 HydrophobicContact CG-CG 3.83Å; E677-R683 VanDerWaalsContact O-CD 3.26Å; E677-R683 WeakPolarHBondContact O-CD 3.28Å; E677-R683 WeakPolarHBondContact O-CG 3.21Å; E677-R683 PolarHBondContact O-NH1 3.4Å; E677-L686 HydrophobicContact CB-CD1 3.93Å; E677-L686 HydrophobicContact CG-CD1 4.02Å
678	T	86.3	Confident	79.1	Confident	128 Å²	128	76.9 Å²	76.9	79%	0.785	40%	0.395	S	S	*	.			trans	-106.4	-27.7	-177.5	51.4	0	0	0	0	113.3
679	D	83.9	Confident	78.3	Confident	67 Å²	67	70.5 Å²	70.5	36%	0.358	37%	0.366	S	S	.	.			trans	-68.7	127.8	179.1	175.8	-85.1	0	0	0	111	E677 L681 R682 R683	E677-D679 PolarHBondContact OE1-N 2.94Å; D679-L681 VanDerWaalsContact C-N 3.28Å; D679-L681 PolarHBondContact O-N 3.35Å; D679-L681 WeakPolarHBondContact OD1-CA 3.28Å; D679-L681 WeakPolarHBondContact OD1-CB 3.41Å; D679-L681 PolarHBondContact OD1-N 3.25Å; D679-R682 HydrophobicContact CB-CB 4.04Å; D679-R682 HydrophobicContact CB-CG 3.96Å; D679-R682 PolarHBondContact O-N 3.48Å; D679-R682 WeakPolarHBondContact OD1-CG 3.23Å; D679-R682 PolarHBondContact OD1-N 2.89Å; D679-R683 WeakPolarHBondContact O-CB 3.46Å; D679-R683 VanDerWaalsContact O-CG 3.25Å; D679-R683 WeakPolarHBondContact O-CG 3.5Å; D679-R683 PolarHBondContact O-N 2.89Å
680	P	80.8	Confident	77.8	Confident	102 Å²	102	64.8 Å²	64.8	66%	0.662	35%	0.345	S	S	*	.	H	α-helix	trans	-65.3	-28.9	-172.9	25.9	-35.2	0	0	0	113.5	Q684	P680-Q684 PolarHBondContact O-N 3.47Å; P680-Q684 VanDerWaalsContact O-N 3.12Å
681	L	73.4	Confident	76.9	Confident	30 Å²	30	69.5 Å²	69.5	16%	0.157	37%	0.37	C	S	.	.	H	α-helix	trans	-82.6	-41.3	-179.8	-175.1	126.4	0	0	0	111.1	R525 D679 R683 Q684 V685	R525-L681 HydrophobicContact CG-CD2 3.55Å; R525-L681 WeakPolarHBondContact O-CD2 3.31Å; D679-L681 VanDerWaalsContact C-N 3.28Å; D679-L681 PolarHBondContact O-N 3.35Å; D679-L681 WeakPolarHBondContact OD1-CA 3.28Å; D679-L681 WeakPolarHBondContact OD1-CB 3.41Å; D679-L681 PolarHBondContact OD1-N 3.25Å; L681-R683 VanDerWaalsContact C-N 3.31Å; L681-R683 PolarHBondContact O-N 2.99Å; L681-Q684 WeakPolarHBondContact O-CB 3.39Å; L681-Q684 PolarHBondContact O-N 3.16Å; L681-Q684 VanDerWaalsContact O-N 3.08Å; L681-V685 WeakPolarHBondContact O-CG2 3.37Å; L681-V685 PolarHBondContact O-N 2.99Å
682	R	77.6	Confident	75.6	Confident	116 Å²	116	67.9 Å²	67.9	44%	0.438	37%	0.373	S	S	.	.	H	α-helix	trans	-60.7	-41.2	170.6	-62.4	179.7	68.7	90	3.2	110.8	E677 D679 Q684 V685 L686	E677-R682 HydrophobicContact CG-CB 3.64Å; E677-R682 WeakPolarHBondContact OE2-CB 3.35Å; E677-R682 WeakPolarHBondContact OE2-CD 3.31Å; E677-R682 IonicContact OE2-CZ 2.74Å; E677-R682 IonicContact OE2-NE 3.61Å; E677-R682 PolarHBondContact OE2-NE 3.46Å; E677-R682 IonicContact OE2-NH2 2.8Å; D679-R682 HydrophobicContact CB-CB 4.04Å; D679-R682 HydrophobicContact CB-CG 3.96Å; D679-R682 PolarHBondContact O-N 3.48Å; D679-R682 WeakPolarHBondContact OD1-CG 3.23Å; D679-R682 PolarHBondContact OD1-N 2.89Å; R682-Q684 PolarHBondContact O-N 3.12Å; R682-V685 PolarHBondContact O-N 3.01Å; R682-L686 WeakPolarHBondContact O-CB 3.4Å; R682-L686 WeakPolarHBondContact O-CG 3.48Å; R682-L686 PolarHBondContact O-N 3.43Å
683	R	80.3	Confident	74.2	Confident	103 Å²	103	67.3 Å²	67.3	39%	0.389	36%	0.362	S	S	.	.	H	α-helix	trans	-57.2	-44.2	169.8	-71.8	178.5	74.9	77.3	6.2	112.1	L674 E677 D679 L681 D687	L674-R683 HydrophobicContact CD1-CB 3.9Å; L674-R683 HydrophobicContact CD1-CG 4.13Å; L674-R683 VanDerWaalsContact CD1-O 3.25Å; L674-R683 WeakPolarHBondContact CD1-O 3.24Å; L674-R683 PolarHBondContact O-NH1 3.12Å; E677-R683 HydrophobicContact CB-CG 4.03Å; E677-R683 HydrophobicContact CG-CG 3.83Å; E677-R683 VanDerWaalsContact O-CD 3.26Å; E677-R683 WeakPolarHBondContact O-CD 3.28Å; E677-R683 WeakPolarHBondContact O-CG 3.21Å; E677-R683 PolarHBondContact O-NH1 3.4Å; D679-R683 WeakPolarHBondContact O-CB 3.46Å; D679-R683 VanDerWaalsContact O-CG 3.25Å; D679-R683 WeakPolarHBondContact O-CG 3.5Å; D679-R683 PolarHBondContact O-N 2.89Å; L681-R683 VanDerWaalsContact C-N 3.31Å; L681-R683 PolarHBondContact O-N 2.99Å; R683-D687 WeakPolarHBondContact O-CB 3.43Å; R683-D687 PolarHBondContact O-N 2.76Å
684	Q	71.8	Confident	72.8	Confident	112 Å²	112	67.5 Å²	67.5	52%	0.523	36%	0.362	S	S	.	.	H	α-helix	trans	-65.3	-38.4	177.1	-174.8	179.8	-13.2	0	0	112.7	P680 L681 R682 D687 G688	P680-Q684 PolarHBondContact O-N 3.47Å; P680-Q684 VanDerWaalsContact O-N 3.12Å; L681-Q684 WeakPolarHBondContact O-CB 3.39Å; L681-Q684 PolarHBondContact O-N 3.16Å; L681-Q684 VanDerWaalsContact O-N 3.08Å; R682-Q684 PolarHBondContact O-N 3.12Å; Q684-D687 PolarHBondContact O-N 3.2Å; Q684-G688 PolarHBondContact O-N 2.75Å
685	V	70.4	Confident	70.7	Confident	6 Å²	6	70.3 Å²	70.3	4%	0.036	38%	0.383	C	S	.	.	H	α-helix	trans	-68.2	-43.9	177	171.9	0	0	0	0	111.3	L526 M527 L681 R682 D687 G688 R689	L526-V685 HydrophobicContact CD2-CG2 4.36Å; L526-V685 WeakPolarHBondContact O-CG1 3.5Å; M527-V685 HydrophobicContact CB-CG1 3.79Å; M527-V685 HydrophobicContact CG-CG1 3.94Å; M527-V685 HydrophobicContact SD-CB 4.47Å; M527-V685 HydrophobicContact SD-CG1 3.84Å; L681-V685 WeakPolarHBondContact O-CG2 3.37Å; L681-V685 PolarHBondContact O-N 2.99Å; R682-V685 PolarHBondContact O-N 3.01Å; V685-D687 VanDerWaalsContact C-N 3.3Å; V685-D687 PolarHBondContact O-N 2.82Å; V685-G688 PolarHBondContact O-N 2.86Å; V685-R689 PolarHBondContact O-N 3.35Å
686	L	74.5	Confident	68.5	Low	2 Å²	2	71.2 Å²	71.2	1%	0.01	38%	0.381	C	S	.	.	H	α-helix	trans	-66.6	-28.6	174.4	-70.3	175.2	0	0	0	112.9	L674 E677 R682 R689 Q690	L674-L686 HydrophobicContact CB-CB 4.12Å; L674-L686 HydrophobicContact CD1-CB 3.93Å; L674-L686 HydrophobicContact CG-CB 4.49Å; E677-L686 HydrophobicContact CB-CD1 3.93Å; E677-L686 HydrophobicContact CG-CD1 4.02Å; R682-L686 WeakPolarHBondContact O-CB 3.4Å; R682-L686 WeakPolarHBondContact O-CG 3.48Å; R682-L686 PolarHBondContact O-N 3.43Å; L686-R689 WeakPolarHBondContact O-CB 3.49Å; L686-Q690 PolarHBondContact O-N 2.98Å
687	D	72.8	Confident	66.1	Low	64 Å²	64	65 Å²	65	34%	0.342	36%	0.357	S	S	.	.	H	α-helix	trans	-70	-41.7	169.5	-168	45.9	0	0	0	111.6	L674 R683 Q684 V685 R689 Q690 L691	L674-D687 HydrophobicContact CD2-CB 4.23Å; R683-D687 WeakPolarHBondContact O-CB 3.43Å; R683-D687 PolarHBondContact O-N 2.76Å; Q684-D687 PolarHBondContact O-N 3.2Å; V685-D687 VanDerWaalsContact C-N 3.3Å; V685-D687 PolarHBondContact O-N 2.82Å; D687-R689 VanDerWaalsContact C-N 3.31Å; D687-R689 PolarHBondContact O-N 3.02Å; D687-Q690 WeakPolarHBondContact O-CG 3.5Å; D687-Q690 PolarHBondContact O-N 3.48Å; D687-Q690 PolarHBondContact OD1-NE2 2.91Å; D687-L691 VanDerWaalsContact O-CG 3.27Å; D687-L691 WeakPolarHBondContact O-CG 3.05Å; D687-L691 PolarHBondContact O-N 2.78Å
688	G	65.1	Low	63.8	Low	40 Å²	40	64.9 Å²	64.9	41%	0.412	37%	0.366	S	S	.	.	H	α-helix	trans	-54.6	-45.7	170.3	0	0	0	0	0	112.7	Q684 V685 Q690 L691 A692	Q684-G688 PolarHBondContact O-N 2.75Å; V685-G688 PolarHBondContact O-N 2.86Å; G688-Q690 PolarHBondContact O-N 3.4Å; G688-L691 PolarHBondContact O-N 3.25Å; G688-A692 PolarHBondContact O-N 3.22Å
689	R	65.9	Low	62.2	Low	32 Å²	32	60.2 Å²	60.2	12%	0.121	34%	0.335	C	S	.	.	H	α-helix	trans	-56.2	-42.2	175.4	178.9	-177.3	168.7	-155	-4	112.9	N531 E534 E673 V685 L686 D687	N531-R689 WeakPolarHBondContact OD1-CD 3.44Å; E534-R689 IonicContact OE1-CZ 3.79Å; E534-R689 IonicContact OE1-NE 3.38Å; E534-R689 IonicContact OE1-NH2 2.7Å; E534-R689 PolarHBondContact OE1-NH2 2.67Å; E534-R689 IonicContact OE2-CZ 2.68Å; E534-R689 IonicContact OE2-NE 3.1Å; E534-R689 PolarHBondContact OE2-NE 3.08Å; E534-R689 IonicContact OE2-NH2 2.69Å; E534-R689 PolarHBondContact OE2-NH2 2.81Å; E673-R689 IonicContact OE1-NH1 2.86Å; E673-R689 PolarHBondContact OE1-NH1 2.97Å; E673-R689 IonicContact OE2-CZ 3.84Å; E673-R689 IonicContact OE2-NH1 2.74Å; E673-R689 PolarHBondContact OE2-NH1 2.66Å; E673-R689 IonicContact OE2-NH2 3.15Å; E673-R689 PolarHBondContact OE2-NH2 2.75Å; V685-R689 PolarHBondContact O-N 3.35Å; L686-R689 WeakPolarHBondContact O-CB 3.49Å; D687-R689 VanDerWaalsContact C-N 3.31Å; D687-R689 PolarHBondContact O-N 3.02Å
690	Q	70.3	Confident	61	Low	15 Å²	15	57 Å²	57	7%	0.07	32%	0.319	C	S	.	.	H	α-helix	trans	-79.1	-26.5	177.7	75.5	75.6	20.9	0	0	114	R667 K671 L686 D687 G688 A692	R667-Q690 HydrophobicContact CG-CB 4.12Å; R667-Q690 VanDerWaalsContact CZ-OE1 3.28Å; R667-Q690 PolarHBondContact NE-O 3.05Å; K671-Q690 HydrophobicContact CG-CB 4.29Å; K671-Q690 HydrophobicContact CG-CG 4.21Å; L686-Q690 PolarHBondContact O-N 2.98Å; D687-Q690 WeakPolarHBondContact O-CG 3.5Å; D687-Q690 PolarHBondContact O-N 3.48Å; D687-Q690 PolarHBondContact OD1-NE2 2.91Å; G688-Q690 PolarHBondContact O-N 3.4Å; Q690-A692 VanDerWaalsContact C-N 3.32Å; Q690-A692 PolarHBondContact O-N 3.34Å
691	L	60.5	Low	60.3	Low	102 Å²	102	56.9 Å²	56.9	53%	0.534	31%	0.305	S	S	.	.	H	α-helix	trans	-69.1	-26.3	178.7	-75.3	170.6	0	0	0	113.4	D687 G688 L693	D687-L691 VanDerWaalsContact O-CG 3.27Å; D687-L691 WeakPolarHBondContact O-CG 3.05Å; D687-L691 PolarHBondContact O-N 2.78Å; G688-L691 PolarHBondContact O-N 3.25Å; L691-L693 PolarHBondContact O-N 2.89Å
692	A	53.1	Low	60.4	Low	56 Å²	56	61.2 Å²	61.2	46%	0.463	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-4.2	178.4	0	0	0	0	0	115.1	M535 G688 Q690	M535-A692 HydrophobicContact CE-CB 4.09Å; G688-A692 PolarHBondContact O-N 3.22Å; Q690-A692 VanDerWaalsContact C-N 3.32Å; Q690-A692 PolarHBondContact O-N 3.34Å
693	L	55	Low	60.7	Low	43 Å²	43	56.2 Å²	56.2	23%	0.225	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	14	-166.8	-57.7	175.9	0	0	0	114.8	M535 L663 R667 L691	M535-L693 HydrophobicContact CE-CD2 4.43Å; L663-L693 HydrophobicContact CD2-CD2 4.21Å; R667-L693 HydrophobicContact CB-CD1 3.76Å; R667-L693 HydrophobicContact CG-CB 4.48Å; R667-L693 HydrophobicContact CG-CD1 4.1Å; L691-L693 PolarHBondContact O-N 2.89Å
694	K	49.8	Very low	61	Low	89 Å²	89	51.4 Å²	51.4	39%	0.387	29%	0.288	S	S	.	.			trans	-101.3	134.9	177.4	-168.8	172.5	179.2	176.2	0	112.4	D733	K694-D733 WeakPolarHBondContact CE-OD2 3.12Å; K694-D733 IonicContact NZ-OD2 2.73Å; K694-D733 PolarHBondContact NZ-OD2 3.26Å
695	S	37.2	Very low	61.7	Low	81 Å²	81	49.1 Å²	49.1	57%	0.566	28%	0.277	S	S	*	.			trans	-138.2	170.3	179	-74.3	0	0	0	0	112.1
696	V	34.2	Very low	62.6	Low	94 Å²	94	52.7 Å²	52.7	57%	0.57	29%	0.292	S	S	*	.			trans	-136.6	140.8	-163.7	170.3	0	0	0	0	113.8	Y607	Y607-V696 VanDerWaalsContact CD2-CA 3.46Å; Y607-V696 HydrophobicContact CD2-CB 4.03Å; Y607-V696 HydrophobicContact CD2-CG1 4.16Å; Y607-V696 HydrophobicContact CD2-CG2 3.97Å; Y607-V696 HydrophobicContact CE2-CB 4.01Å; Y607-V696 HydrophobicContact CE2-CG1 3.66Å; Y607-V696 HydrophobicContact CE2-CG2 3.91Å
697	T	39.6	Very low	63.5	Low	44 Å²	44	52.6 Å²	52.6	27%	0.27	29%	0.292	S	S	.	.			trans	-142.4	-152.1	175.2	73	0	0	0	0	113.2	Y607 M611	Y607-T697 WeakPolarHBondContact CD1-OG1 3.24Å; Y607-T697 WeakPolarHBondContact CE1-O 3.22Å; Y607-T697 VanDerWaalsContact CZ-O 3.28Å; Y607-T697 PolarHBondContact OH-O 3.25Å; M611-T697 HydrophobicContact SD-CG2 3.88Å
698	G	36.9	Very low	64.4	Low	36 Å²	36	52.1 Å²	52.1	37%	0.371	29%	0.287	S	S	.	.	S	Bend	trans	-104.3	-38.5	-165.6	0	0	0	0	0	118.5	G700 R701	G698-G700 PolarHBondContact O-N 3.1Å; G698-R701 PolarHBondContact O-N 2.95Å
699	F	53.3	Low	65.8	Low	30 Å²	30	55.5 Å²	55.5	13%	0.132	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.6	-171.3	-90.7	-114.4	0	0	0	114.6	I610 L616 T640 R701 Q702	I610-F699 HydrophobicContact CB-CB 4.4Å; I610-F699 HydrophobicContact CD1-CB 3.61Å; I610-F699 HydrophobicContact CG1-CB 3.83Å; I610-F699 HydrophobicContact CG2-CB 3.64Å; I610-F699 HydrophobicContact CG2-CD1 4.47Å; I610-F699 HydrophobicContact CG2-CD2 3.94Å; I610-F699 HydrophobicContact CG2-CG 3.8Å; L616-F699 HydrophobicContact CD2-CD2 4.42Å; L616-F699 HydrophobicContact CD2-CE2 3.93Å; T640-F699 HydrophobicContact CG2-CE2 4.01Å; T640-F699 HydrophobicContact CG2-CZ 3.96Å; F699-R701 PolarHBondContact O-N 3.16Å; F699-Q702 PolarHBondContact O-N 3.02Å; F699-Q702 VanDerWaalsContact O-N 3.09Å
700	G	59.4	Low	67.2	Low	1 Å²	1	55.3 Å²	55.3	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-50.2	-31.5	178.8	0	0	0	0	0	114	G698 Q702 M703 I704	G698-G700 PolarHBondContact O-N 3.1Å; G700-Q702 VanDerWaalsContact C-N 3.33Å; G700-Q702 PolarHBondContact O-N 2.97Å; G700-M703 PolarHBondContact O-N 3.43Å; G700-I704 WeakPolarHBondContact O-CG2 3.14Å; G700-I704 PolarHBondContact O-N 2.94Å
701	R	66.6	Low	68.3	Low	98 Å²	98	54.6 Å²	54.6	37%	0.37	29%	0.29	S	S	.	.	H	α-helix	trans	-50.3	-46.9	175.5	-70.2	178.9	168	-120.5	-14.3	114	T582 G583 A584 T585 G698 F699 I704	T582-R701 VanDerWaalsContact C-NH2 3.28Å; T582-R701 PolarHBondContact O-NE 3Å; T582-R701 PolarHBondContact O-NH2 3.03Å; T582-R701 VanDerWaalsContact O-NH2 3.16Å; G583-R701 PolarHBondContact O-NE 2.9Å; G583-R701 PolarHBondContact O-NH2 3.46Å; A584-R701 PolarHBondContact O-NH2 2.67Å; T585-R701 HydrophobicContact CG2-CB 4.35Å; T585-R701 HydrophobicContact CG2-CG 4.22Å; G698-R701 PolarHBondContact O-N 2.95Å; F699-R701 PolarHBondContact O-N 3.16Å; R701-I704 WeakPolarHBondContact O-CG2 3.41Å
702	Q	75.4	Confident	70	Confident	122 Å²	122	51.9 Å²	51.9	57%	0.57	27%	0.274	S	S	*	.	H	α-helix	trans	-76.4	-35.7	-177.1	-169.7	179.2	11.7	0	0	110.8	F699 G700 K706	F699-Q702 PolarHBondContact O-N 3.02Å; F699-Q702 VanDerWaalsContact O-N 3.09Å; G700-Q702 VanDerWaalsContact C-N 3.33Å; G700-Q702 PolarHBondContact O-N 2.97Å; Q702-K706 WeakPolarHBondContact O-CB 3.49Å; Q702-K706 PolarHBondContact O-N 3.08Å
703	M	83.3	Confident	71.9	Confident	10 Å²	10	52.7 Å²	52.7	5%	0.049	28%	0.276	C	S	.	.	H	α-helix	trans	-76.3	-34.6	-175.8	-54.9	-159.9	-52.8	0	0	112.9	F603 L606 I610 G700 T707 F762 I766	F603-M703 HydrophobicContact CE2-CB 4.45Å; F603-M703 HydrophobicContact CZ-CB 4.39Å; L606-M703 HydrophobicContact CD1-CE 3.28Å; I610-M703 HydrophobicContact CD1-CE 3.75Å; I610-M703 HydrophobicContact CG1-CE 3.6Å; G700-M703 PolarHBondContact O-N 3.43Å; M703-T707 VanDerWaalsContact O-CB 3.28Å; M703-T707 WeakPolarHBondContact O-CB 3.4Å; M703-T707 PolarHBondContact O-N 2.91Å; M703-T707 PolarHBondContact O-OG1 3.38Å; M703-F762 HydrophobicContact CB-CE1 3.7Å; M703-F762 HydrophobicContact CB-CZ 3.98Å; M703-F762 HydrophobicContact CG-CD1 4.25Å; M703-F762 HydrophobicContact CG-CE1 3.65Å; M703-F762 HydrophobicContact CG-CZ 4.43Å; M703-F762 HydrophobicContact SD-CD1 3.7Å; M703-F762 HydrophobicContact SD-CE1 3.72Å; M703-I766 HydrophobicContact CE-CD1 4.07Å; M703-I766 HydrophobicContact CE-CG2 4.05Å; M703-I766 HydrophobicContact SD-CD1 3.85Å; M703-I766 HydrophobicContact SD-CG2 4.37Å
704	I	85.9	Confident	73.8	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-68.8	-41.1	175.8	-167.2	173.8	0	0	0	112.1	T585 I587 G700 R701 T707 K708 V735	T585-I704 HydrophobicContact CG2-CG2 3.54Å; I587-I704 HydrophobicContact CD1-CD1 4.4Å; I587-I704 HydrophobicContact CD1-CG1 4.34Å; G700-I704 WeakPolarHBondContact O-CG2 3.14Å; G700-I704 PolarHBondContact O-N 2.94Å; R701-I704 WeakPolarHBondContact O-CG2 3.41Å; I704-T707 WeakPolarHBondContact O-CB 3.45Å; I704-T707 PolarHBondContact O-N 2.82Å; I704-K708 PolarHBondContact O-N 2.91Å; I704-V735 HydrophobicContact CD1-CG2 4.14Å; I704-V735 HydrophobicContact CG1-CG2 3.62Å
705	E	86	Confident	75.9	Confident	64 Å²	64	48.3 Å²	48.3	30%	0.299	26%	0.255	S	S	.	.	H	α-helix	trans	-69.9	-40	175.6	-177.9	60	-148.8	0	0	111.3	T707 K708 Q709	E705-T707 VanDerWaalsContact C-N 3.31Å; E705-T707 PolarHBondContact O-N 3.29Å; E705-K708 PolarHBondContact O-N 3.42Å; E705-K708 WeakPolarHBondContact OE1-CD 3.26Å; E705-K708 IonicContact OE1-NZ 2.73Å; E705-K708 PolarHBondContact OE1-NZ 3.03Å; E705-K708 WeakPolarHBondContact OE2-CD 3.41Å; E705-K708 IonicContact OE2-NZ 2.76Å; E705-K708 PolarHBondContact OE2-NZ 3.41Å; E705-Q709 WeakPolarHBondContact O-CB 3.43Å; E705-Q709 VanDerWaalsContact O-CG 3.28Å; E705-Q709 WeakPolarHBondContact O-CG 3.34Å; E705-Q709 PolarHBondContact O-N 2.9Å; E705-Q709 PolarHBondContact OE1-NE2 3.38Å
706	K	90.5	Very high	78.7	Confident	81 Å²	81	45.2 Å²	45.2	35%	0.352	23%	0.233	S	C	.	.	H	α-helix	trans	-58.1	-42.1	170	-174.8	-176	177.5	-170.1	0	111.7	Q702 Q709 L710 H761 F762	Q702-K706 WeakPolarHBondContact O-CB 3.49Å; Q702-K706 PolarHBondContact O-N 3.08Å; K706-Q709 PolarHBondContact O-N 3.35Å; K706-L710 HydrophobicContact CG-CD1 4.01Å; K706-L710 HydrophobicContact CG-CG 4.37Å; K706-L710 WeakPolarHBondContact O-CB 3.39Å; K706-L710 VanDerWaalsContact O-CG 3.28Å; K706-L710 WeakPolarHBondContact O-CG 3.32Å; K706-L710 PolarHBondContact O-N 3.07Å; K706-H761 PolarHBondContact NZ-O 3.09Å; K706-F762 HydrophobicContact CB-CZ 4.44Å; K706-F762 HydrophobicContact CD-CE1 3.87Å; K706-F762 HydrophobicContact CD-CZ 3.88Å; K706-F762 HydrophobicContact CG-CZ 4.35Å
707	T	92.6	Very high	81.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-49.6	178.2	-64.5	0	0	0	0	111.5	F603 M703 I704 E705 Q709 L710 V711 V735 V758 L768	F603-T707 WeakPolarHBondContact CE2-OG1 3.33Å; F603-T707 WeakPolarHBondContact CZ-OG1 3.25Å; M703-T707 VanDerWaalsContact O-CB 3.28Å; M703-T707 WeakPolarHBondContact O-CB 3.4Å; M703-T707 PolarHBondContact O-N 2.91Å; M703-T707 PolarHBondContact O-OG1 3.38Å; I704-T707 WeakPolarHBondContact O-CB 3.45Å; I704-T707 PolarHBondContact O-N 2.82Å; E705-T707 VanDerWaalsContact C-N 3.31Å; E705-T707 PolarHBondContact O-N 3.29Å; T707-Q709 VanDerWaalsContact C-N 3.35Å; T707-Q709 PolarHBondContact O-N 2.69Å; T707-L710 PolarHBondContact O-N 3.33Å; T707-V711 HydrophobicContact CG2-CG2 4.48Å; T707-V711 WeakPolarHBondContact O-CG2 3.47Å; T707-V711 PolarHBondContact O-N 3.42Å; T707-V735 HydrophobicContact CG2-CB 4.44Å; T707-V735 HydrophobicContact CG2-CG2 3.92Å; T707-V758 HydrophobicContact CG2-CG1 4.11Å; T707-L768 HydrophobicContact CG2-CD2 3.89Å
708	K	93.1	Very high	84	Confident	54 Å²	54	51 Å²	51	24%	0.235	26%	0.257	C	S	.	.	H	α-helix	trans	-55.8	-47.6	174.7	169.3	-145.3	175.8	-165	0	111.5	I587 I704 E705 V711 E712 V727	I587-K708 HydrophobicContact CD1-CB 4.38Å; I587-K708 HydrophobicContact CD1-CD 4.21Å; I587-K708 HydrophobicContact CD1-CG 4.45Å; I704-K708 PolarHBondContact O-N 2.91Å; E705-K708 PolarHBondContact O-N 3.42Å; E705-K708 WeakPolarHBondContact OE1-CD 3.26Å; E705-K708 IonicContact OE1-NZ 2.73Å; E705-K708 PolarHBondContact OE1-NZ 3.03Å; E705-K708 WeakPolarHBondContact OE2-CD 3.41Å; E705-K708 IonicContact OE2-NZ 2.76Å; E705-K708 PolarHBondContact OE2-NZ 3.41Å; K708-V711 PolarHBondContact O-N 2.89Å; K708-E712 PolarHBondContact O-N 2.97Å; K708-V727 HydrophobicContact CB-CG2 4.21Å; K708-V727 HydrophobicContact CG-CB 4.06Å; K708-V727 HydrophobicContact CG-CG1 4.32Å; K708-V727 HydrophobicContact CG-CG2 3.92Å
709	Q	93.5	Very high	86.7	Confident	112 Å²	112	53.8 Å²	53.8	52%	0.523	26%	0.263	S	S	.	.	H	α-helix	trans	-63.2	-43.9	178.9	-70.4	171.9	8.2	0	0	112.4	E705 K706 T707 S713	E705-Q709 WeakPolarHBondContact O-CB 3.43Å; E705-Q709 VanDerWaalsContact O-CG 3.28Å; E705-Q709 WeakPolarHBondContact O-CG 3.34Å; E705-Q709 PolarHBondContact O-N 2.9Å; E705-Q709 PolarHBondContact OE1-NE2 3.38Å; K706-Q709 PolarHBondContact O-N 3.35Å; T707-Q709 VanDerWaalsContact C-N 3.35Å; T707-Q709 PolarHBondContact O-N 2.69Å; Q709-S713 VanDerWaalsContact O-CB 3.31Å; Q709-S713 WeakPolarHBondContact O-CB 3.44Å; Q709-S713 PolarHBondContact O-N 3.49Å; Q709-S713 VanDerWaalsContact O-N 3.09Å; Q709-S713 PolarHBondContact O-OG 3.41Å
710	L	94.9	Very high	88.5	Confident	28 Å²	28	55.9 Å²	55.9	15%	0.147	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-43.6	176.2	-75.6	172.5	0	0	0	112	K706 T707 S713 K714 W757 V758 H761	K706-L710 HydrophobicContact CG-CD1 4.01Å; K706-L710 HydrophobicContact CG-CG 4.37Å; K706-L710 WeakPolarHBondContact O-CB 3.39Å; K706-L710 VanDerWaalsContact O-CG 3.28Å; K706-L710 WeakPolarHBondContact O-CG 3.32Å; K706-L710 PolarHBondContact O-N 3.07Å; T707-L710 PolarHBondContact O-N 3.33Å; L710-S713 PolarHBondContact O-OG 2.78Å; L710-K714 PolarHBondContact O-N 3.03Å; L710-K714 VanDerWaalsContact O-N 3.1Å; L710-W757 HydrophobicContact CB-CH2 3.86Å; L710-W757 HydrophobicContact CB-CZ3 3.77Å; L710-W757 HydrophobicContact CD2-CH2 3.79Å; L710-W757 HydrophobicContact CD2-CZ2 4.43Å; L710-W757 HydrophobicContact CD2-CZ3 4.5Å; L710-W757 HydrophobicContact CG-CH2 4.36Å; L710-W757 WeakPolarHBondContact O-CZ3 3.47Å; L710-V758 HydrophobicContact CB-CG2 4.33Å; L710-V758 HydrophobicContact CD1-CG1 4.36Å; L710-H761 HydrophobicContact CD1-CB 3.83Å
711	V	94.4	Very high	90.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.8	-47.8	-179.6	171.5	0	0	0	0	111.5	T707 K708 S713 Y715 C737 V758	T707-V711 HydrophobicContact CG2-CG2 4.48Å; T707-V711 WeakPolarHBondContact O-CG2 3.47Å; T707-V711 PolarHBondContact O-N 3.42Å; K708-V711 PolarHBondContact O-N 2.89Å; V711-S713 VanDerWaalsContact C-N 3.33Å; V711-S713 PolarHBondContact O-N 2.9Å; V711-Y715 HydrophobicContact CG1-CD2 4.38Å; V711-Y715 WeakPolarHBondContact O-CD2 3.45Å; V711-Y715 PolarHBondContact O-N 3.32Å; V711-C737 HydrophobicContact CG1-CB 4.23Å; V711-C737 WeakPolarHBondContact CG1-SG 3.49Å; V711-V758 HydrophobicContact CG2-CG2 3.89Å
712	E	94.8	Very high	91.2	Very high	45 Å²	45	59.2 Å²	59.2	21%	0.21	32%	0.322	C	S	.	.	H	α-helix	trans	-72.1	-22.5	-178.8	-64.9	-163.4	177.8	0	0	114.2	K708 K726 V727	K708-E712 PolarHBondContact O-N 2.97Å; E712-K726 IonicContact OE2-NZ 3.93Å; E712-K726 PolarHBondContact OE2-NZ 3.25Å; E712-V727 HydrophobicContact CG-CG2 4.13Å; E712-V727 PolarHBondContact OE1-N 2.92Å
713	S	94.2	Very high	92.1	Very high	72 Å²	72	56 Å²	56	50%	0.503	31%	0.311	S	S	.	.	H	α-helix	trans	-87.9	-36	178.4	54.8	0	0	0	0	113.6	Q709 L710 V711 N719	Q709-S713 VanDerWaalsContact O-CB 3.31Å; Q709-S713 WeakPolarHBondContact O-CB 3.44Å; Q709-S713 PolarHBondContact O-N 3.49Å; Q709-S713 VanDerWaalsContact O-N 3.09Å; Q709-S713 PolarHBondContact O-OG 3.41Å; L710-S713 PolarHBondContact O-OG 2.78Å; V711-S713 VanDerWaalsContact C-N 3.33Å; V711-S713 PolarHBondContact O-N 2.9Å; S713-N719 PolarHBondContact O-ND2 3.28Å; S713-N719 VanDerWaalsContact O-ND2 3.16Å
714	K	94.3	Very high	92.6	Very high	38 Å²	38	57.7 Å²	57.7	17%	0.165	32%	0.323	C	S	.	.	H	α-helix	trans	-71.9	-52.4	175.8	173.8	175.4	149.2	91.8	0	111.9	L710 T716 N719 Y721 E753 W757	L710-K714 PolarHBondContact O-N 3.03Å; L710-K714 VanDerWaalsContact O-N 3.1Å; K714-T716 VanDerWaalsContact C-N 3.3Å; K714-T716 PolarHBondContact O-N 2.85Å; K714-N719 WeakPolarHBondContact O-CB 3.16Å; K714-N719 PolarHBondContact O-ND2 3.43Å; K714-Y721 WeakPolarHBondContact CE-OH 3.45Å; K714-Y721 HydrophobicContact CG-CE2 4.4Å; K714-Y721 PolarHBondContact NZ-OH 3.46Å; K714-Y721 WeakPolarHBondContact O-CD2 3.23Å; K714-Y721 VanDerWaalsContact O-CE2 3.23Å; K714-Y721 WeakPolarHBondContact O-CE2 3.43Å; K714-E753 WeakPolarHBondContact CE-OE1 3.23Å; K714-E753 IonicContact NZ-OE1 2.81Å; K714-E753 PolarHBondContact NZ-OE1 2.88Å; K714-W757 HydrophobicContact CB-CH2 3.67Å; K714-W757 HydrophobicContact CB-CZ2 4.19Å; K714-W757 HydrophobicContact CB-CZ3 3.86Å; K714-W757 HydrophobicContact CD-CD2 3.38Å; K714-W757 VanDerWaalsContact CD-CE2 3.46Å; K714-W757 HydrophobicContact CD-CE3 3.48Å; K714-W757 VanDerWaalsContact CD-CE3 3.48Å; K714-W757 HydrophobicContact CD-CG 4.01Å; K714-W757 HydrophobicContact CD-CH2 3.77Å; K714-W757 HydrophobicContact CD-CZ2 3.68Å; K714-W757 HydrophobicContact CD-CZ3 3.66Å; K714-W757 HydrophobicContact CG-CH2 4.33Å; K714-W757 HydrophobicContact CG-CZ2 4.45Å; K714-W757 HydrophobicContact CG-CZ3 4.41Å
715	Y	94.8	Very high	93.1	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.008	32%	0.323	C	S	.	.	S	Bend	trans	-86	70.8	-169.6	-64.6	-76.5	0	0	0	111	V711 Y721 A725 F739 L750 E753 A754	V711-Y715 HydrophobicContact CG1-CD2 4.38Å; V711-Y715 WeakPolarHBondContact O-CD2 3.45Å; V711-Y715 PolarHBondContact O-N 3.32Å; Y715-Y721 AromaticContact CD1-CD1 3.69Å; Y715-Y721 HydrophobicContact CD1-CD1 3.69Å; Y715-Y721 HydrophobicContact CD1-CD2 4.45Å; Y715-Y721 AromaticContact CD1-CE1 3.4Å; Y715-Y721 HydrophobicContact CD1-CE1 3.4Å; Y715-Y721 HydrophobicContact CD1-CE2 4.22Å; Y715-Y721 HydrophobicContact CD1-CG 4.22Å; Y715-Y721 AromaticContact CD1-CZ 3.71Å; Y715-Y721 HydrophobicContact CE1-CD1 4.26Å; Y715-Y721 AromaticContact CE1-CE1 3.56Å; Y715-Y721 HydrophobicContact CE1-CE1 3.56Å; Y715-Y721 AromaticContact CE1-CZ 3.86Å; Y715-A725 PolarHBondContact O-N 3.3Å; Y715-F739 HydrophobicContact CD1-CE1 4.12Å; Y715-F739 HydrophobicContact CD2-CE1 4.02Å; Y715-F739 HydrophobicContact CE2-CE1 4.4Å; Y715-F739 HydrophobicContact CG-CD1 4.45Å; Y715-F739 AromaticContact CG-CE1 3.87Å; Y715-F739 HydrophobicContact CG-CE1 3.87Å; Y715-L750 HydrophobicContact CE1-CD2 4.44Å; Y715-E753 PolarHBondContact OH-OE1 2.85Å; Y715-E753 VanDerWaalsContact OH-OE1 3.08Å; Y715-A754 HydrophobicContact CE2-CB 3.58Å; Y715-A754 VanDerWaalsContact OH-CA 3.22Å; Y715-A754 WeakPolarHBondContact OH-CA 3.5Å; Y715-A754 PolarHBondContact OH-N 2.77Å; Y715-A754 VanDerWaalsContact OH-N 3.14Å
716	T	94.6	Very high	93.6	Very high	17 Å²	17	58.2 Å²	58.2	10%	0.104	33%	0.325	C	S	.	.	S	Bend	trans	-133.9	159.9	-177.1	-165.4	0	0	0	0	112.8	K714 E718 N719 Y721 S724	K714-T716 VanDerWaalsContact C-N 3.3Å; K714-T716 PolarHBondContact O-N 2.85Å; T716-E718 VanDerWaalsContact C-N 3.26Å; T716-E718 HydrophobicContact CG2-CB 4.12Å; T716-E718 PolarHBondContact O-N 2.93Å; T716-N719 HydrophobicContact CG2-CB 4.24Å; T716-N719 PolarHBondContact O-N 2.84Å; T716-Y721 WeakPolarHBondContact O-CD2 3.33Å; T716-Y721 PolarHBondContact O-N 3.44Å; T716-S724 PolarHBondContact OG1-OG 2.7Å
717	V	93	Very high	93.9	Very high	87 Å²	87	54.8 Å²	54.8	53%	0.527	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-62.5	-31.9	-175.9	-62.6	0	0	0	0	113.1	N719 G720 Y721	V717-N719 PolarHBondContact O-N 2.86Å; V717-G720 PolarHBondContact O-N 2.91Å; V717-G720 VanDerWaalsContact O-N 3.07Å; V717-Y721 WeakPolarHBondContact CA-O 3.39Å
718	E	93.2	Very high	94	Very high	173 Å²	173	54.9 Å²	54.9	81%	0.808	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-63.5	-28.2	175.2	-63.7	161.9	-167.1	0	0	112.4	T716 G720	T716-E718 VanDerWaalsContact C-N 3.26Å; T716-E718 HydrophobicContact CG2-CB 4.12Å; T716-E718 PolarHBondContact O-N 2.93Å; E718-G720 VanDerWaalsContact C-N 3.35Å
719	N	92.9	Very high	94.2	Very high	94 Å²	94	52.3 Å²	52.3	50%	0.503	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-94.5	13.8	176.7	-65.9	-25.2	0	0	0	112.7	S713 K714 T716 V717 Y721	S713-N719 PolarHBondContact O-ND2 3.28Å; S713-N719 VanDerWaalsContact O-ND2 3.16Å; K714-N719 WeakPolarHBondContact O-CB 3.16Å; K714-N719 PolarHBondContact O-ND2 3.43Å; T716-N719 HydrophobicContact CG2-CB 4.24Å; T716-N719 PolarHBondContact O-N 2.84Å; V717-N719 PolarHBondContact O-N 2.86Å; N719-Y721 HydrophobicContact CB-CD2 3.89Å; N719-Y721 HydrophobicContact CB-CE2 3.79Å
720	G	91.1	Very high	94.1	Very high	73 Å²	73	47 Å²	47	75%	0.753	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	6.9	175.2	0	0	0	0	0	116.3	V717 E718	V717-G720 PolarHBondContact O-N 2.91Å; V717-G720 VanDerWaalsContact O-N 3.07Å; E718-G720 VanDerWaalsContact C-N 3.35Å
721	Y	93.6	Very high	93.6	Very high	62 Å²	62	46.6 Å²	46.6	24%	0.243	27%	0.273	C	S	.	.			trans	-81.1	149.9	174.5	-59.1	-90.4	0	0	0	111.2	K714 Y715 T716 V717 N719 T723 L750	K714-Y721 WeakPolarHBondContact CE-OH 3.45Å; K714-Y721 HydrophobicContact CG-CE2 4.4Å; K714-Y721 PolarHBondContact NZ-OH 3.46Å; K714-Y721 WeakPolarHBondContact O-CD2 3.23Å; K714-Y721 VanDerWaalsContact O-CE2 3.23Å; K714-Y721 WeakPolarHBondContact O-CE2 3.43Å; Y715-Y721 AromaticContact CD1-CD1 3.69Å; Y715-Y721 HydrophobicContact CD1-CD1 3.69Å; Y715-Y721 HydrophobicContact CD1-CD2 4.45Å; Y715-Y721 AromaticContact CD1-CE1 3.4Å; Y715-Y721 HydrophobicContact CD1-CE1 3.4Å; Y715-Y721 HydrophobicContact CD1-CE2 4.22Å; Y715-Y721 HydrophobicContact CD1-CG 4.22Å; Y715-Y721 AromaticContact CD1-CZ 3.71Å; Y715-Y721 HydrophobicContact CE1-CD1 4.26Å; Y715-Y721 AromaticContact CE1-CE1 3.56Å; Y715-Y721 HydrophobicContact CE1-CE1 3.56Å; Y715-Y721 AromaticContact CE1-CZ 3.86Å; T716-Y721 WeakPolarHBondContact O-CD2 3.33Å; T716-Y721 PolarHBondContact O-N 3.44Å; V717-Y721 WeakPolarHBondContact CA-O 3.39Å; N719-Y721 HydrophobicContact CB-CD2 3.89Å; N719-Y721 HydrophobicContact CB-CE2 3.79Å; Y721-T723 PolarHBondContact O-N 2.66Å; Y721-T723 VanDerWaalsContact O-N 3.16Å; Y721-L750 HydrophobicContact CD1-CD2 4.49Å
722	S	90.1	Very high	93	Very high	107 Å²	107	47.5 Å²	47.5	75%	0.748	28%	0.278	S	S	*	.	S	Bend	trans	-57.8	-31.8	-176.3	168.9	0	0	0	0	114.3
723	T	92.8	Very high	92.4	Very high	55 Å²	55	46.6 Å²	46.6	34%	0.337	28%	0.275	S	S	.	.	S	Bend	trans	-147.5	157.5	-177.1	29.4	0	0	0	0	110.6	Y721 F739	Y721-T723 PolarHBondContact O-N 2.66Å; Y721-T723 VanDerWaalsContact O-N 3.16Å; T723-F739 PolarHBondContact OG1-O 2.71Å; T723-F739 VanDerWaalsContact OG1-O 3.05Å
724	S	94.9	Very high	92.2	Very high	45 Å²	45	43.9 Å²	43.9	32%	0.315	26%	0.256	S	S	.	.			trans	-84.9	114	174	-169.3	0	0	0	0	110.5	T716	T716-S724 PolarHBondContact OG1-OG 2.7Å
725	A	95.3	Very high	92.2	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.248	C	C	.	.			trans	-70.2	145.1	-176	0	0	0	0	0	111.6	Y715 R738 F739	Y715-A725 PolarHBondContact O-N 3.3Å; A725-R738 WeakPolarHBondContact CA-O 3.4Å; A725-F739 HydrophobicContact CB-CD1 3.96Å; A725-F739 HydrophobicContact CB-CE1 4.45Å
726	K	96.2	Very high	92.3	Very high	77 Å²	77	42 Å²	42	34%	0.335	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.9	179.7	-71.5	-70.4	136.1	-171.4	0	111.8	E712 V728 R738	E712-K726 IonicContact OE2-NZ 3.93Å; E712-K726 PolarHBondContact OE2-NZ 3.25Å; K726-V728 PolarHBondContact O-N 2.84Å; K726-R738 PolarHBondContact N-O 3.05Å; K726-R738 PolarHBondContact O-N 2.74Å
727	V	96.8	Very high	92.4	Very high	10 Å²	10	41.2 Å²	41.2	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	111.3	172.8	174.4	0	0	0	0	108.5	I587 K708 E712 Y729 V735 M736	I587-V727 HydrophobicContact CD1-CG1 4.2Å; K708-V727 HydrophobicContact CB-CG2 4.21Å; K708-V727 HydrophobicContact CG-CB 4.06Å; K708-V727 HydrophobicContact CG-CG1 4.32Å; K708-V727 HydrophobicContact CG-CG2 3.92Å; E712-V727 HydrophobicContact CG-CG2 4.13Å; E712-V727 PolarHBondContact OE1-N 2.92Å; V727-Y729 VanDerWaalsContact CG1-O 3.32Å; V727-Y729 WeakPolarHBondContact CG1-O 3.5Å; V727-V735 HydrophobicContact CB-CG1 4.41Å; V727-V735 HydrophobicContact CG1-CG1 3.75Å; V727-V735 HydrophobicContact CG2-CG1 3.71Å; V727-M736 CarbonylContact C-O 3.47Å; V727-M736 WeakPolarHBondContact CA-O 3.28Å
728	V	96.4	Very high	92.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-24.7	-179.4	-63.8	0	0	0	0	112.3	L590 Y594 I598 K726 M736 R738 Y777	L590-V728 HydrophobicContact CB-CB 4.39Å; L590-V728 HydrophobicContact CD1-CG1 4.39Å; L590-V728 PolarHBondContact N-O 3.01Å; Y594-V728 HydrophobicContact CE1-CG1 3.82Å; I598-V728 HydrophobicContact CD1-CG2 4.3Å; I598-V728 HydrophobicContact CG2-CG2 3.93Å; K726-V728 PolarHBondContact O-N 2.84Å; V728-M736 HydrophobicContact CG2-CB 4.17Å; V728-M736 WeakPolarHBondContact CG2-O 3.48Å; V728-M736 PolarHBondContact N-O 2.82Å; V728-R738 HydrophobicContact CG1-CB 3.87Å; V728-Y777 HydrophobicContact CG2-CE1 4.48Å
729	Y	96.4	Very high	92.8	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	162.2	176.3	-170.1	-133.5	0	0	0	112.1	V586 I587 P589 V727 D731 M736 L779 K782 K783 Y785	V586-Y729 HydrophobicContact CG1-CE2 3.75Å; V586-Y729 VanDerWaalsContact CG1-OH 3.27Å; V586-Y729 WeakPolarHBondContact CG1-OH 3.45Å; I587-Y729 WeakPolarHBondContact O-CE2 3.46Å; P589-Y729 HydrophobicContact CB-CD2 3.76Å; P589-Y729 HydrophobicContact CB-CE2 4.2Å; P589-Y729 HydrophobicContact CB-CG 4.49Å; V727-Y729 VanDerWaalsContact CG1-O 3.32Å; V727-Y729 WeakPolarHBondContact CG1-O 3.5Å; Y729-D731 HydrophobicContact CE1-CB 4Å; Y729-M736 HydrophobicContact CD1-SD 3.96Å; Y729-M736 PolarHBondContact O-N 2.74Å; Y729-L779 HydrophobicContact CD1-CD1 4.43Å; Y729-L779 HydrophobicContact CG-CD1 4.41Å; Y729-L779 HydrophobicContact CG-CD2 4.19Å; Y729-K782 HydrophobicContact CE2-CG 4.33Å; Y729-K782 WeakPolarHBondContact OH-CA 3.47Å; Y729-K783 PolarHBondContact OH-N 3.26Å; Y729-Y785 HydrophobicContact CD1-CD1 4.39Å; Y729-Y785 HydrophobicContact CD1-CE1 4.27Å; Y729-Y785 HydrophobicContact CE1-CD1 4.11Å; Y729-Y785 AromaticContact CE1-CE1 3.85Å; Y729-Y785 HydrophobicContact CE1-CE1 3.85Å
730	G	91.6	Very high	92.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	139.8	167	0	0	0	0	0	111.1	I587 S734	I587-G730 PolarHBondContact N-O 2.69Å; G730-S734 CarbonylContact C-O 3.2Å; G730-S734 WeakPolarHBondContact CA-O 3.23Å
731	D	85.3	Confident	92.8	Very high	20 Å²	20	28.2 Å²	28.2	11%	0.107	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	97.6	-174.3	-176.3	7.8	0	0	0	109.9	V586 Y729 D733 S734 K783	V586-D731 HydrophobicContact CG1-CB 4.44Å; V586-D731 WeakPolarHBondContact CG2-OD1 3.27Å; Y729-D731 HydrophobicContact CE1-CB 4Å; D731-D733 VanDerWaalsContact C-N 3.26Å; D731-D733 PolarHBondContact O-N 3.07Å; D731-D733 VanDerWaalsContact O-OD1 3.1Å; D731-S734 PolarHBondContact N-O 2.94Å; D731-S734 PolarHBondContact O-N 2.98Å; D731-S734 PolarHBondContact O-OG 2.87Å; D731-K783 IonicContact OD1-NZ 3.51Å; D731-K783 PolarHBondContact OD1-NZ 3.06Å; D731-K783 WeakPolarHBondContact OD2-CG 3.35Å; D731-K783 IonicContact OD2-NZ 2.67Å; D731-K783 PolarHBondContact OD2-NZ 3.18Å
732	T	80.6	Confident	92.5	Very high	18 Å²	18	29.8 Å²	29.8	11%	0.11	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	-66.4	171.7	-46.8	0	0	0	0	116.2	A584 T585 Y607	A584-T732 HydrophobicContact CB-CG2 3.68Å; A584-T732 WeakPolarHBondContact CB-OG1 3.49Å; T585-T732 PolarHBondContact O-N 2.93Å; Y607-T732 HydrophobicContact CE2-CG2 4.06Å; Y607-T732 WeakPolarHBondContact OH-CG2 3.44Å
733	D	82.9	Confident	92.6	Very high	27 Å²	27	26.5 Å²	26.5	14%	0.144	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-25.5	-178.7	47	6.4	0	0	0	113.4	D602 F603 L606 K694 D731	D602-D733 VanDerWaalsContact OD1-CB 3.28Å; D602-D733 WeakPolarHBondContact OD1-CB 3.3Å; F603-D733 WeakPolarHBondContact CD2-O 3.41Å; F603-D733 PolarHBondContact N-O 3.02Å; L606-D733 HydrophobicContact CB-CB 4.29Å; L606-D733 HydrophobicContact CD2-CB 3.64Å; K694-D733 WeakPolarHBondContact CE-OD2 3.12Å; K694-D733 IonicContact NZ-OD2 2.73Å; K694-D733 PolarHBondContact NZ-OD2 3.26Å; D731-D733 VanDerWaalsContact C-N 3.26Å; D731-D733 PolarHBondContact O-N 3.07Å; D731-D733 VanDerWaalsContact O-OD1 3.1Å
734	S	89.9	Confident	92.7	Very high	14 Å²	14	24.5 Å²	24.5	10%	0.098	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	145	-176	54.4	0	0	0	0	114.3	L601 D602 G730 D731	L601-S734 CarbonylContact O-C 3.59Å; L601-S734 WeakPolarHBondContact O-CA 3.48Å; D602-S734 PolarHBondContact OD1-N 3.32Å; G730-S734 CarbonylContact C-O 3.2Å; G730-S734 WeakPolarHBondContact CA-O 3.23Å; D731-S734 PolarHBondContact N-O 2.94Å; D731-S734 PolarHBondContact O-N 2.98Å; D731-S734 PolarHBondContact O-OG 2.87Å
735	V	94.5	Very high	92.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.1	176.8	178.9	0	0	0	0	109.6	T600 L601 I704 T707 V727	T600-V735 WeakPolarHBondContact CA-O 3.27Å; L601-V735 PolarHBondContact N-O 2.82Å; L601-V735 PolarHBondContact O-N 2.78Å; I704-V735 HydrophobicContact CD1-CG2 4.14Å; I704-V735 HydrophobicContact CG1-CG2 3.62Å; T707-V735 HydrophobicContact CG2-CB 4.44Å; T707-V735 HydrophobicContact CG2-CG2 3.92Å; V727-V735 HydrophobicContact CB-CG1 4.41Å; V727-V735 HydrophobicContact CG1-CG1 3.75Å; V727-V735 HydrophobicContact CG2-CG1 3.71Å
736	M	97.1	Very high	92.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110	-178.3	-64.8	-179.2	178.2	0	0	110.2	I598 A599 T600 V727 V728 Y729 Y774 Y777 Y785	I598-M736 HydrophobicContact CG2-CB 3.92Å; A599-M736 CarbonylContact O-C 3.52Å; A599-M736 WeakPolarHBondContact O-CA 3.27Å; T600-M736 HydrophobicContact CG2-CE 4.08Å; T600-M736 HydrophobicContact CG2-CG 4.02Å; V727-M736 CarbonylContact C-O 3.47Å; V727-M736 WeakPolarHBondContact CA-O 3.28Å; V728-M736 HydrophobicContact CG2-CB 4.17Å; V728-M736 WeakPolarHBondContact CG2-O 3.48Å; V728-M736 PolarHBondContact N-O 2.82Å; Y729-M736 HydrophobicContact CD1-SD 3.96Å; Y729-M736 PolarHBondContact O-N 2.74Å; M736-Y774 HydrophobicContact CE-CE2 4.12Å; M736-Y777 HydrophobicContact SD-CE2 4.42Å; M736-Y777 PolarHBondContact SD-OH 3.37Å; M736-Y785 HydrophobicContact CE-CE1 4.28Å; M736-Y785 HydrophobicContact CE-CE2 4.01Å; M736-Y785 WeakPolarHBondContact CE-OH 3.48Å
737	C	96.6	Very high	92.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.2	-174.9	-167.8	0	0	0	0	111.8	A599 V711 F739	A599-C737 PolarHBondContact N-O 2.83Å; A599-C737 PolarHBondContact O-N 3.38Å; V711-C737 HydrophobicContact CG1-CB 4.23Å; V711-C737 WeakPolarHBondContact CG1-SG 3.49Å; C737-F739 HydrophobicContact CB-CE2 4.49Å
738	R	97.2	Very high	92.5	Very high	94 Å²	94	25.4 Å²	25.4	36%	0.355	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	101.8	165.7	-173.9	-168.5	72.2	170.8	3.6	108.2	V596 I598 A725 K726 V728	V596-R738 HydrophobicContact CG1-CG 3.93Å; I598-R738 HydrophobicContact CD1-CB 3.6Å; I598-R738 HydrophobicContact CD1-CG 3.76Å; A725-R738 WeakPolarHBondContact CA-O 3.4Å; K726-R738 PolarHBondContact N-O 3.05Å; K726-R738 PolarHBondContact O-N 2.74Å; V728-R738 HydrophobicContact CG1-CB 3.87Å
739	F	95.8	Very high	92.5	Very high	7 Å²	7	28.1 Å²	28.1	3%	0.031	18%	0.176	C	C	.	.			trans	-68.5	-40.1	174.8	-76.6	-72.4	0	0	0	112.4	A599 Y715 T723 A725 C737 V741 L750 A754	A599-F739 HydrophobicContact CB-CD2 3.98Å; A599-F739 HydrophobicContact CB-CE2 3.7Å; Y715-F739 HydrophobicContact CD1-CE1 4.12Å; Y715-F739 HydrophobicContact CD2-CE1 4.02Å; Y715-F739 HydrophobicContact CE2-CE1 4.4Å; Y715-F739 HydrophobicContact CG-CD1 4.45Å; Y715-F739 AromaticContact CG-CE1 3.87Å; Y715-F739 HydrophobicContact CG-CE1 3.87Å; T723-F739 PolarHBondContact OG1-O 2.71Å; T723-F739 VanDerWaalsContact OG1-O 3.05Å; A725-F739 HydrophobicContact CB-CD1 3.96Å; A725-F739 HydrophobicContact CB-CE1 4.45Å; C737-F739 HydrophobicContact CB-CE2 4.49Å; F739-V741 HydrophobicContact CB-CG2 4.45Å; F739-L750 HydrophobicContact CB-CD1 4.07Å; F739-L750 HydrophobicContact CD1-CB 4.01Å; F739-L750 HydrophobicContact CD1-CD1 4.17Å; F739-L750 HydrophobicContact CD2-CB 4.03Å; F739-L750 HydrophobicContact CE1-CB 3.98Å; F739-L750 HydrophobicContact CE2-CB 3.98Å; F739-L750 HydrophobicContact CG-CB 4.05Å; F739-L750 HydrophobicContact CG-CD1 4.09Å; F739-L750 HydrophobicContact CZ-CB 3.96Å; F739-A754 HydrophobicContact CZ-CB 3.9Å
740	G	92.6	Very high	92.4	Very high	33 Å²	33	29.9 Å²	29.9	34%	0.34	19%	0.185	S	C	.	.			trans	113	-17.2	177.4	0	0	0	0	0	114.8
741	V	93.1	Very high	92.6	Very high	20 Å²	20	29.9 Å²	29.9	12%	0.121	19%	0.185	C	C	.	.			trans	-65.6	144.6	170.2	-62.6	0	0	0	0	111.6	V596 P597 F739 E746 A747 L750	V596-V741 WeakPolarHBondContact CG2-O 3.32Å; P597-V741 WeakPolarHBondContact CD-O 3.33Å; F739-V741 HydrophobicContact CB-CG2 4.45Å; V741-E746 HydrophobicContact CB-CB 4.17Å; V741-E746 HydrophobicContact CG1-CB 4.36Å; V741-E746 HydrophobicContact CG2-CB 3.88Å; V741-A747 HydrophobicContact CG2-CB 3.99Å; V741-L750 HydrophobicContact CG1-CD1 4.16Å; V741-L750 HydrophobicContact CG2-CD1 4.29Å
742	S	86.3	Confident	93.1	Very high	96 Å²	96	34.5 Å²	34.5	67%	0.671	20%	0.201	S	C	*	.	S	Bend	trans	-86.5	-19.8	177.3	52.8	0	0	0	0	113.6	P597	P597-S742 WeakPolarHBondContact CG-O 3.29Å
743	S	93.1	Very high	93.9	Very high	38 Å²	38	37.4 Å²	37.4	27%	0.266	21%	0.213	S	C	.	.			trans	-81.5	126.2	179.9	175.4	0	0	0	0	111.9	A745 E746 A747	S743-A745 PolarHBondContact O-N 3.26Å; S743-A745 PolarHBondContact OG-N 3.12Å; S743-E746 VanDerWaalsContact CB-CD 3.4Å; S743-E746 WeakPolarHBondContact CB-OE1 3.17Å; S743-E746 PolarHBondContact O-N 3.11Å; S743-E746 PolarHBondContact OG-N 3Å; S743-A747 WeakPolarHBondContact O-CB 3.2Å; S743-A747 PolarHBondContact O-N 2.66Å
744	V	94.1	Very high	94.5	Very high	13 Å²	13	36.1 Å²	36.1	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-35.4	173.8	177.9	0	0	0	0	111.1	P597 A747 M748 V773 F775 F790 P794	P597-V744 HydrophobicContact CG-CG2 4.19Å; V744-A747 PolarHBondContact O-N 3.08Å; V744-M748 HydrophobicContact CG1-CE 4.12Å; V744-M748 HydrophobicContact CG1-CG 4.45Å; V744-M748 WeakPolarHBondContact O-CB 3.34Å; V744-M748 VanDerWaalsContact O-CG 3.32Å; V744-M748 WeakPolarHBondContact O-CG 3.2Å; V744-M748 PolarHBondContact O-N 2.79Å; V744-V773 HydrophobicContact CG1-CB 4.34Å; V744-V773 HydrophobicContact CG1-CG1 4.13Å; V744-F775 HydrophobicContact CG2-CB 4.06Å; V744-F775 HydrophobicContact CG2-CD1 3.58Å; V744-F775 HydrophobicContact CG2-CE1 4.33Å; V744-F775 HydrophobicContact CG2-CG 4.06Å; V744-F790 HydrophobicContact CG1-CB 4.15Å; V744-F790 HydrophobicContact CG1-CD1 4.01Å; V744-F790 HydrophobicContact CG1-CG 4.08Å; V744-P794 HydrophobicContact CB-CB 4.09Å; V744-P794 HydrophobicContact CG1-CB 3.94Å
745	A	94.6	Very high	94.8	Very high	46 Å²	46	35.5 Å²	35.5	38%	0.38	20%	0.202	S	C	.	.	H	α-helix	trans	-65.3	-42.9	179.2	0	0	0	0	0	112.1	S743 M748 A749 P794	S743-A745 PolarHBondContact O-N 3.26Å; S743-A745 PolarHBondContact OG-N 3.12Å; A745-M748 PolarHBondContact O-N 3.13Å; A745-A749 PolarHBondContact O-N 2.67Å; A745-P794 HydrophobicContact CB-CB 3.83Å; A745-P794 HydrophobicContact CB-CG 3.96Å
746	E	94.3	Very high	94.8	Very high	100 Å²	100	39.6 Å²	39.6	47%	0.467	22%	0.224	S	C	.	.	H	α-helix	trans	-68.2	-41.4	176.1	-69.4	159.2	-146.1	0	0	111.4	V741 S743 M748 A749 L750	V741-E746 HydrophobicContact CB-CB 4.17Å; V741-E746 HydrophobicContact CG1-CB 4.36Å; V741-E746 HydrophobicContact CG2-CB 3.88Å; S743-E746 VanDerWaalsContact CB-CD 3.4Å; S743-E746 WeakPolarHBondContact CB-OE1 3.17Å; S743-E746 PolarHBondContact O-N 3.11Å; S743-E746 PolarHBondContact OG-N 3Å; E746-M748 VanDerWaalsContact C-N 3.31Å; E746-M748 PolarHBondContact O-N 3.07Å; E746-A749 PolarHBondContact O-N 2.94Å; E746-A749 VanDerWaalsContact O-N 3.15Å; E746-L750 WeakPolarHBondContact O-CB 3.1Å; E746-L750 WeakPolarHBondContact O-CG 3.49Å; E746-L750 PolarHBondContact O-N 3.19Å
747	A	95.5	Very high	94.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-35.1	175.4	0	0	0	0	0	112.7	P597 V741 S743 V744 G751 V773	P597-A747 HydrophobicContact CB-CB 3.45Å; P597-A747 VanDerWaalsContact CB-CB 3.45Å; P597-A747 HydrophobicContact CG-CB 4.35Å; V741-A747 HydrophobicContact CG2-CB 3.99Å; S743-A747 WeakPolarHBondContact O-CB 3.2Å; S743-A747 PolarHBondContact O-N 2.66Å; V744-A747 PolarHBondContact O-N 3.08Å; A747-G751 PolarHBondContact O-N 3.04Å; A747-V773 HydrophobicContact CB-CG2 4.02Å
748	M	95.4	Very high	94.7	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.02	24%	0.238	C	C	.	.	H	α-helix	trans	-67.7	-40.8	170.9	-76	-171.7	171.3	0	0	112.3	V744 A745 E746 R752 F770 V773 F790 R793 P794	V744-M748 HydrophobicContact CG1-CE 4.12Å; V744-M748 HydrophobicContact CG1-CG 4.45Å; V744-M748 WeakPolarHBondContact O-CB 3.34Å; V744-M748 VanDerWaalsContact O-CG 3.32Å; V744-M748 WeakPolarHBondContact O-CG 3.2Å; V744-M748 PolarHBondContact O-N 2.79Å; A745-M748 PolarHBondContact O-N 3.13Å; E746-M748 VanDerWaalsContact C-N 3.31Å; E746-M748 PolarHBondContact O-N 3.07Å; M748-R752 WeakPolarHBondContact O-CD 3.09Å; M748-R752 VanDerWaalsContact O-CG 3.24Å; M748-R752 WeakPolarHBondContact O-CG 3Å; M748-R752 PolarHBondContact O-N 3.17Å; M748-F770 HydrophobicContact CB-CZ 4.33Å; M748-F770 HydrophobicContact CG-CE1 4.4Å; M748-F770 HydrophobicContact CG-CZ 3.8Å; M748-V773 HydrophobicContact CG-CG2 3.83Å; M748-F790 HydrophobicContact CE-CB 3.67Å; M748-F790 WeakPolarHBondContact CE-O 3.48Å; M748-R793 WeakPolarHBondContact CE-O 3.47Å; M748-P794 HydrophobicContact SD-CB 4.49Å
749	A	94.8	Very high	94.6	Very high	59 Å²	59	39.7 Å²	39.7	49%	0.488	23%	0.227	S	C	.	.	H	α-helix	trans	-64.7	-52.8	178.5	0	0	0	0	0	111.5	A745 E746 G751 R752 E753	A745-A749 PolarHBondContact O-N 2.67Å; E746-A749 PolarHBondContact O-N 2.94Å; E746-A749 VanDerWaalsContact O-N 3.15Å; A749-G751 VanDerWaalsContact C-N 3.31Å; A749-G751 PolarHBondContact O-N 2.71Å; A749-R752 PolarHBondContact O-N 3.38Å; A749-E753 PolarHBondContact O-N 3.24Å
750	L	95.8	Very high	94.5	Very high	37 Å²	37	42.7 Å²	42.7	19%	0.194	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-38.2	175.7	-68.4	170.2	0	0	0	112	Y715 Y721 F739 V741 E746 R752 E753 A754	Y715-L750 HydrophobicContact CE1-CD2 4.44Å; Y721-L750 HydrophobicContact CD1-CD2 4.49Å; F739-L750 HydrophobicContact CB-CD1 4.07Å; F739-L750 HydrophobicContact CD1-CB 4.01Å; F739-L750 HydrophobicContact CD1-CD1 4.17Å; F739-L750 HydrophobicContact CD2-CB 4.03Å; F739-L750 HydrophobicContact CE1-CB 3.98Å; F739-L750 HydrophobicContact CE2-CB 3.98Å; F739-L750 HydrophobicContact CG-CB 4.05Å; F739-L750 HydrophobicContact CG-CD1 4.09Å; F739-L750 HydrophobicContact CZ-CB 3.96Å; V741-L750 HydrophobicContact CG1-CD1 4.16Å; V741-L750 HydrophobicContact CG2-CD1 4.29Å; E746-L750 WeakPolarHBondContact O-CB 3.1Å; E746-L750 WeakPolarHBondContact O-CG 3.49Å; E746-L750 PolarHBondContact O-N 3.19Å; L750-R752 PolarHBondContact O-N 2.62Å; L750-E753 PolarHBondContact O-N 3.28Å; L750-A754 VanDerWaalsContact O-CB 3.25Å; L750-A754 WeakPolarHBondContact O-CB 3.28Å; L750-A754 PolarHBondContact O-N 3.44Å
751	G	95.7	Very high	94.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-40.1	175.6	0	0	0	0	0	113.3	L601 A747 A749 A755	L601-G751 VanDerWaalsContact CD2-O 3.27Å; L601-G751 WeakPolarHBondContact CD2-O 3Å; A747-G751 PolarHBondContact O-N 3.04Å; A749-G751 VanDerWaalsContact C-N 3.31Å; A749-G751 PolarHBondContact O-N 2.71Å; G751-A755 WeakPolarHBondContact O-CB 3.41Å; G751-A755 PolarHBondContact O-N 2.97Å
752	R	95.5	Very high	94.5	Very high	118 Å²	118	45 Å²	45	45%	0.445	26%	0.259	S	S	.	.	H	α-helix	trans	-70.3	-44.8	175.4	-69.8	165.6	-171.6	166.2	2.8	111.7	M748 A749 L750 A754 A755 D756 F770	M748-R752 WeakPolarHBondContact O-CD 3.09Å; M748-R752 VanDerWaalsContact O-CG 3.24Å; M748-R752 WeakPolarHBondContact O-CG 3Å; M748-R752 PolarHBondContact O-N 3.17Å; A749-R752 PolarHBondContact O-N 3.38Å; L750-R752 PolarHBondContact O-N 2.62Å; R752-A754 VanDerWaalsContact C-N 3.32Å; R752-A754 PolarHBondContact O-N 3.13Å; R752-A755 PolarHBondContact O-N 2.88Å; R752-D756 PolarHBondContact O-N 3.3Å; R752-D756 VanDerWaalsContact O-N 3.1Å; R752-F770 HydrophobicContact CG-CB 3.94Å; R752-F770 HydrophobicContact CG-CD1 3.95Å; R752-F770 HydrophobicContact CG-CG 3.87Å
753	E	96.3	Very high	94.7	Very high	78 Å²	78	43.2 Å²	43.2	36%	0.364	25%	0.246	S	C	.	.	H	α-helix	trans	-57.2	-45.6	174.6	-166.4	-151.8	136.2	0	0	111.2	K714 Y715 A749 L750 D756 W757	K714-E753 WeakPolarHBondContact CE-OE1 3.23Å; K714-E753 IonicContact NZ-OE1 2.81Å; K714-E753 PolarHBondContact NZ-OE1 2.88Å; Y715-E753 PolarHBondContact OH-OE1 2.85Å; Y715-E753 VanDerWaalsContact OH-OE1 3.08Å; A749-E753 PolarHBondContact O-N 3.24Å; L750-E753 PolarHBondContact O-N 3.28Å; E753-D756 PolarHBondContact O-N 2.91Å; E753-W757 VanDerWaalsContact O-CB 3.25Å; E753-W757 WeakPolarHBondContact O-CB 3.28Å; E753-W757 PolarHBondContact O-N 3.3Å
754	A	96.3	Very high	94.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-41.8	177.6	0	0	0	0	0	112.9	L601 Y715 F739 L750 R752 V758	L601-A754 HydrophobicContact CD1-CB 4Å; Y715-A754 HydrophobicContact CE2-CB 3.58Å; Y715-A754 VanDerWaalsContact OH-CA 3.22Å; Y715-A754 WeakPolarHBondContact OH-CA 3.5Å; Y715-A754 PolarHBondContact OH-N 2.77Å; Y715-A754 VanDerWaalsContact OH-N 3.14Å; F739-A754 HydrophobicContact CZ-CB 3.9Å; L750-A754 VanDerWaalsContact O-CB 3.25Å; L750-A754 WeakPolarHBondContact O-CB 3.28Å; L750-A754 PolarHBondContact O-N 3.44Å; R752-A754 VanDerWaalsContact C-N 3.32Å; R752-A754 PolarHBondContact O-N 3.13Å; A754-V758 VanDerWaalsContact O-CB 3.3Å; A754-V758 WeakPolarHBondContact O-CB 3.38Å; A754-V758 VanDerWaalsContact O-CG2 3.25Å; A754-V758 WeakPolarHBondContact O-CG2 3.28Å; A754-V758 PolarHBondContact O-N 2.74Å
755	A	95.6	Very high	94.4	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	29%	0.285	C	S	.	.	H	α-helix	trans	-59.1	-49.1	176.8	0	0	0	0	0	112	L601 G751 R752 S759 F770	L601-A755 HydrophobicContact CD2-CB 4.34Å; G751-A755 WeakPolarHBondContact O-CB 3.41Å; G751-A755 PolarHBondContact O-N 2.97Å; R752-A755 PolarHBondContact O-N 2.88Å; A755-S759 WeakPolarHBondContact O-CB 3.42Å; A755-S759 PolarHBondContact O-N 3.33Å; A755-S759 PolarHBondContact O-OG 3.49Å; A755-F770 HydrophobicContact CB-CB 4.14Å
756	D	95.5	Very high	94.2	Very high	85 Å²	85	47 Å²	47	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-74.2	-39.1	-177	-73.2	-21.4	0	0	0	112.4	R752 E753 S759 G760 R767	R752-D756 PolarHBondContact O-N 3.3Å; R752-D756 VanDerWaalsContact O-N 3.1Å; E753-D756 PolarHBondContact O-N 2.91Å; D756-S759 PolarHBondContact O-N 3.4Å; D756-G760 PolarHBondContact O-N 3.12Å; D756-R767 IonicContact OD1-CZ 3.82Å; D756-R767 IonicContact OD1-NE 3.78Å; D756-R767 IonicContact OD1-NH2 3.09Å; D756-R767 PolarHBondContact OD1-NH2 2.79Å; D756-R767 IonicContact OD2-NH2 2.66Å
757	W	96.3	Very high	94	Very high	81 Å²	81	48.5 Å²	48.5	31%	0.307	27%	0.269	S	S	.	.	H	α-helix	trans	-66.7	-43.2	175.4	174.2	80	0	0	0	112.8	L710 K714 E753 S759 G760 H761	L710-W757 HydrophobicContact CB-CH2 3.86Å; L710-W757 HydrophobicContact CB-CZ3 3.77Å; L710-W757 HydrophobicContact CD2-CH2 3.79Å; L710-W757 HydrophobicContact CD2-CZ2 4.43Å; L710-W757 HydrophobicContact CD2-CZ3 4.5Å; L710-W757 HydrophobicContact CG-CH2 4.36Å; L710-W757 WeakPolarHBondContact O-CZ3 3.47Å; K714-W757 HydrophobicContact CB-CH2 3.67Å; K714-W757 HydrophobicContact CB-CZ2 4.19Å; K714-W757 HydrophobicContact CB-CZ3 3.86Å; K714-W757 HydrophobicContact CD-CD2 3.38Å; K714-W757 VanDerWaalsContact CD-CE2 3.46Å; K714-W757 HydrophobicContact CD-CE3 3.48Å; K714-W757 VanDerWaalsContact CD-CE3 3.48Å; K714-W757 HydrophobicContact CD-CG 4.01Å; K714-W757 HydrophobicContact CD-CH2 3.77Å; K714-W757 HydrophobicContact CD-CZ2 3.68Å; K714-W757 HydrophobicContact CD-CZ3 3.66Å; K714-W757 HydrophobicContact CG-CH2 4.33Å; K714-W757 HydrophobicContact CG-CZ2 4.45Å; K714-W757 HydrophobicContact CG-CZ3 4.41Å; E753-W757 VanDerWaalsContact O-CB 3.25Å; E753-W757 WeakPolarHBondContact O-CB 3.28Å; E753-W757 PolarHBondContact O-N 3.3Å; W757-S759 VanDerWaalsContact C-N 3.31Å; W757-S759 PolarHBondContact O-N 3.29Å; W757-G760 PolarHBondContact O-N 3.31Å; W757-H761 AromaticContact CD2-CE1 3.99Å; W757-H761 AromaticContact CE2-CE1 3.39Å; W757-H761 AromaticContact CZ2-CE1 3.49Å; W757-H761 VanDerWaalsContact CZ2-CE1 3.49Å; W757-H761 WeakPolarHBondContact CZ2-CE1 3.49Å; W757-H761 AromaticContact CZ2-NE2 3.81Å; W757-H761 AromaticContact NE1-CE1 3.6Å; W757-H761 PolarHBondContact O-CE1 3.18Å; W757-H761 PolarHBondContact O-ND1 2.68Å
758	V	95.5	Very high	93.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-37.3	175.3	172.1	0	0	0	0	110.9	T707 L710 V711 A754 G760 H761 F762 L768	T707-V758 HydrophobicContact CG2-CG1 4.11Å; L710-V758 HydrophobicContact CB-CG2 4.33Å; L710-V758 HydrophobicContact CD1-CG1 4.36Å; V711-V758 HydrophobicContact CG2-CG2 3.89Å; A754-V758 VanDerWaalsContact O-CB 3.3Å; A754-V758 WeakPolarHBondContact O-CB 3.38Å; A754-V758 VanDerWaalsContact O-CG2 3.25Å; A754-V758 WeakPolarHBondContact O-CG2 3.28Å; A754-V758 PolarHBondContact O-N 2.74Å; V758-G760 PolarHBondContact O-N 2.85Å; V758-H761 WeakPolarHBondContact O-CB 3.27Å; V758-H761 PolarHBondContact O-N 3.05Å; V758-F762 HydrophobicContact CG1-CD2 4.42Å; V758-F762 HydrophobicContact CG1-CE2 3.78Å; V758-F762 WeakPolarHBondContact O-CD2 3.32Å; V758-L768 HydrophobicContact CB-CD2 3.89Å; V758-L768 HydrophobicContact CG1-CD2 3.79Å; V758-L768 HydrophobicContact CG2-CD2 4.45Å
759	S	94.2	Very high	93.7	Very high	17 Å²	17	51.9 Å²	51.9	12%	0.119	29%	0.285	C	S	.	.	H	α-helix	trans	-58	-33.3	177.2	-65.2	0	0	0	0	113	A755 D756 W757 H761 F762 R767 L768	A755-S759 WeakPolarHBondContact O-CB 3.42Å; A755-S759 PolarHBondContact O-N 3.33Å; A755-S759 PolarHBondContact O-OG 3.49Å; D756-S759 PolarHBondContact O-N 3.4Å; W757-S759 VanDerWaalsContact C-N 3.31Å; W757-S759 PolarHBondContact O-N 3.29Å; S759-H761 PolarHBondContact O-N 3.19Å; S759-F762 PolarHBondContact O-N 3.34Å; S759-R767 WeakPolarHBondContact OG-CG 3.36Å; S759-L768 PolarHBondContact OG-N 2.76Å; S759-L768 PolarHBondContact OG-O 2.68Å
760	G	94.4	Very high	93.6	Very high	70 Å²	70	50.7 Å²	50.7	72%	0.722	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-8.8	173.6	0	0	0	0	0	115.5	D756 W757 V758	D756-G760 PolarHBondContact O-N 3.12Å; W757-G760 PolarHBondContact O-N 3.31Å; V758-G760 PolarHBondContact O-N 2.85Å
761	H	93.4	Very high	93.3	Very high	72 Å²	72	52.7 Å²	52.7	33%	0.333	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	10.7	179.9	-63.4	73.9	0	0	0	113.7	K706 L710 W757 V758 S759	K706-H761 PolarHBondContact NZ-O 3.09Å; L710-H761 HydrophobicContact CD1-CB 3.83Å; W757-H761 AromaticContact CD2-CE1 3.99Å; W757-H761 AromaticContact CE2-CE1 3.39Å; W757-H761 AromaticContact CZ2-CE1 3.49Å; W757-H761 VanDerWaalsContact CZ2-CE1 3.49Å; W757-H761 WeakPolarHBondContact CZ2-CE1 3.49Å; W757-H761 AromaticContact CZ2-NE2 3.81Å; W757-H761 AromaticContact NE1-CE1 3.6Å; W757-H761 PolarHBondContact O-CE1 3.18Å; W757-H761 PolarHBondContact O-ND1 2.68Å; V758-H761 WeakPolarHBondContact O-CB 3.27Å; V758-H761 PolarHBondContact O-N 3.05Å; S759-H761 PolarHBondContact O-N 3.19Å
762	F	92.1	Very high	93.2	Very high	28 Å²	28	53.5 Å²	53.5	12%	0.123	28%	0.281	C	S	.	.	S	Bend	trans	-134.7	152.7	-178.1	-64.8	-75.3	0	0	0	112.1	F603 M703 K706 V758 S759 I766	F603-F762 HydrophobicContact CE1-CD2 4.26Å; F603-F762 HydrophobicContact CE1-CE2 4.17Å; F603-F762 HydrophobicContact CZ-CD2 4.37Å; F603-F762 AromaticContact CZ-CE2 3.83Å; F603-F762 HydrophobicContact CZ-CE2 3.83Å; F603-F762 HydrophobicContact CZ-CZ 4.08Å; M703-F762 HydrophobicContact CB-CE1 3.7Å; M703-F762 HydrophobicContact CB-CZ 3.98Å; M703-F762 HydrophobicContact CG-CD1 4.25Å; M703-F762 HydrophobicContact CG-CE1 3.65Å; M703-F762 HydrophobicContact CG-CZ 4.43Å; M703-F762 HydrophobicContact SD-CD1 3.7Å; M703-F762 HydrophobicContact SD-CE1 3.72Å; K706-F762 HydrophobicContact CB-CZ 4.44Å; K706-F762 HydrophobicContact CD-CE1 3.87Å; K706-F762 HydrophobicContact CD-CZ 3.88Å; K706-F762 HydrophobicContact CG-CZ 4.35Å; V758-F762 HydrophobicContact CG1-CD2 4.42Å; V758-F762 HydrophobicContact CG1-CE2 3.78Å; V758-F762 WeakPolarHBondContact O-CD2 3.32Å; S759-F762 PolarHBondContact O-N 3.34Å; F762-I766 HydrophobicContact CB-CB 4.05Å; F762-I766 HydrophobicContact CB-CG2 3.97Å; F762-I766 HydrophobicContact CG-CG2 4.23Å
763	P	91.3	Very high	93.3	Very high	59 Å²	59	47.9 Å²	47.9	38%	0.383	26%	0.26	S	S	.	.			trans	-69.9	142.9	175.1	29.3	-34.8	0	0	0	111.6	A613 I766	A613-P763 HydrophobicContact CB-CB 4.23Å; A613-P763 HydrophobicContact CB-CG 3.94Å; P763-I766 HydrophobicContact CG-CD1 4.09Å; P763-I766 VanDerWaalsContact O-CB 3.26Å; P763-I766 WeakPolarHBondContact O-CB 3.38Å; P763-I766 WeakPolarHBondContact O-CG1 3.42Å; P763-I766 PolarHBondContact O-N 3.09Å
764	S	89.1	Confident	93.3	Very high	109 Å²	109	44.1 Å²	44.1	76%	0.762	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	143.6	171.7	-73.7	0	0	0	0	111.3	A613	A613-S764 WeakPolarHBondContact CB-O 3.49Å
765	P	90.1	Very high	93.2	Very high	62 Å²	62	46.3 Å²	46.3	40%	0.403	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	cis	-96.4	28.5	5.9	38.7	-35.7	0	0	0	114	M612 R767	M612-P765 HydrophobicContact CE-CG 3.5Å; P765-R767 PolarHBondContact O-N 2.69Å; P765-R767 VanDerWaalsContact O-N 3.17Å
766	I	90.6	Very high	93.1	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	25%	0.251	C	S	.	.			trans	-71.5	110.3	176.7	-55.2	175.3	0	0	0	108.9	F603 I610 A613 M703 F762 P763	F603-I766 HydrophobicContact CD1-CG2 3.89Å; F603-I766 HydrophobicContact CE1-CG2 3.78Å; I610-I766 HydrophobicContact CG1-CD1 4.44Å; A613-I766 HydrophobicContact CB-CD1 3.95Å; A613-I766 HydrophobicContact CB-CG1 4.04Å; M703-I766 HydrophobicContact CE-CD1 4.07Å; M703-I766 HydrophobicContact CE-CG2 4.05Å; M703-I766 HydrophobicContact SD-CD1 3.85Å; M703-I766 HydrophobicContact SD-CG2 4.37Å; F762-I766 HydrophobicContact CB-CB 4.05Å; F762-I766 HydrophobicContact CB-CG2 3.97Å; F762-I766 HydrophobicContact CG-CG2 4.23Å; P763-I766 HydrophobicContact CG-CD1 4.09Å; P763-I766 VanDerWaalsContact O-CB 3.26Å; P763-I766 WeakPolarHBondContact O-CB 3.38Å; P763-I766 WeakPolarHBondContact O-CG1 3.42Å; P763-I766 PolarHBondContact O-N 3.09Å
767	R	90.4	Very high	93.1	Very high	131 Å²	131	42.2 Å²	42.2	49%	0.494	23%	0.23	S	C	.	.			trans	-126.7	137.2	174.9	-168.7	178.9	-176.6	165.7	-1.3	110.7	S604 D756 S759 P765	S604-R767 PolarHBondContact N-O 3.38Å; S604-R767 PolarHBondContact OG-O 2.67Å; D756-R767 IonicContact OD1-CZ 3.82Å; D756-R767 IonicContact OD1-NE 3.78Å; D756-R767 IonicContact OD1-NH2 3.09Å; D756-R767 PolarHBondContact OD1-NH2 2.79Å; D756-R767 IonicContact OD2-NH2 2.66Å; S759-R767 WeakPolarHBondContact OG-CG 3.36Å; P765-R767 PolarHBondContact O-N 2.69Å; P765-R767 VanDerWaalsContact O-N 3.17Å
768	L	92.6	Very high	93	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.1	166.6	-169.7	72.5	0	0	0	107.7	L601 F603 T707 V758 S759	L601-L768 HydrophobicContact CB-CD1 4.02Å; L601-L768 HydrophobicContact CB-CD2 3.79Å; L601-L768 HydrophobicContact CB-CG 3.84Å; L601-L768 HydrophobicContact CD1-CD2 3.88Å; L601-L768 HydrophobicContact CG-CD2 4.48Å; F603-L768 HydrophobicContact CD1-CB 4.25Å; F603-L768 HydrophobicContact CD1-CD1 4.06Å; F603-L768 HydrophobicContact CD2-CD1 3.85Å; F603-L768 HydrophobicContact CE1-CB 4.04Å; F603-L768 HydrophobicContact CE1-CD1 4.1Å; F603-L768 HydrophobicContact CE2-CD1 3.9Å; F603-L768 HydrophobicContact CG-CD1 3.93Å; F603-L768 HydrophobicContact CZ-CD1 4.03Å; T707-L768 HydrophobicContact CG2-CD2 3.89Å; V758-L768 HydrophobicContact CB-CD2 3.89Å; V758-L768 HydrophobicContact CG1-CD2 3.79Å; V758-L768 HydrophobicContact CG2-CD2 4.45Å; S759-L768 PolarHBondContact OG-N 2.76Å; S759-L768 PolarHBondContact OG-O 2.68Å
769	E	91.3	Very high	93	Very high	75 Å²	75	38.3 Å²	38.3	35%	0.35	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.9	177.7	60.5	-173.1	172.5	0	0	111.1	L601 D602 S604 E771	L601-E769 WeakPolarHBondContact CA-O 3.39Å; D602-E769 PolarHBondContact N-O 3.46Å; D602-E769 PolarHBondContact O-N 3.05Å; S604-E769 WeakPolarHBondContact CB-OE1 3.28Å; E769-E771 PolarHBondContact O-N 3.16Å
770	F	94	Very high	92.8	Very high	35 Å²	35	38.5 Å²	38.5	15%	0.154	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	121.2	166.5	166.9	-89.5	0	0	0	108.1	A599 L601 M748 R752 A755 K772 V773	A599-F770 HydrophobicContact CB-CE2 4.34Å; L601-F770 HydrophobicContact CD2-CB 4.27Å; L601-F770 HydrophobicContact CD2-CD2 4.08Å; M748-F770 HydrophobicContact CB-CZ 4.33Å; M748-F770 HydrophobicContact CG-CE1 4.4Å; M748-F770 HydrophobicContact CG-CZ 3.8Å; R752-F770 HydrophobicContact CG-CB 3.94Å; R752-F770 HydrophobicContact CG-CD1 3.95Å; R752-F770 HydrophobicContact CG-CG 3.87Å; A755-F770 HydrophobicContact CB-CB 4.14Å; F770-K772 WeakPolarHBondContact CE2-O 3.44Å; F770-K772 VanDerWaalsContact CZ-C 3.41Å; F770-V773 HydrophobicContact CE2-CG2 4Å; F770-V773 HydrophobicContact CZ-CG2 4.01Å
771	E	90.1	Very high	92.7	Very high	79 Å²	79	37 Å²	37	37%	0.369	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-39.6	-174.2	-158.7	-152.7	160.7	0	0	112.5	T600 E769	T600-E771 PolarHBondContact O-N 2.86Å; E769-E771 PolarHBondContact O-N 3.16Å
772	K	93.6	Very high	92.6	Very high	16 Å²	16	37.2 Å²	37.2	7%	0.07	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	162.3	-169.9	59	-172.9	62.9	126	0	113.5	T600 F770 Y774 L789 F790	T600-K772 HydrophobicContact CG2-CG 4.44Å; T600-K772 PolarHBondContact N-O 3.05Å; F770-K772 WeakPolarHBondContact CE2-O 3.44Å; F770-K772 VanDerWaalsContact CZ-C 3.41Å; K772-Y774 HydrophobicContact CD-CD2 4.43Å; K772-Y774 HydrophobicContact CD-CE1 4.2Å; K772-Y774 HydrophobicContact CD-CE2 3.73Å; K772-L789 HydrophobicContact CB-CD1 3.49Å; K772-L789 VanDerWaalsContact CB-CD1 3.49Å; K772-L789 HydrophobicContact CD-CD1 3.44Å; K772-L789 VanDerWaalsContact CD-CD1 3.44Å; K772-L789 HydrophobicContact CG-CD1 4Å; K772-F790 WeakPolarHBondContact CA-O 3.38Å
773	V	96.8	Very high	92.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	143.9	154.9	167.7	0	0	0	0	109.5	P597 I598 A599 V744 A747 M748 F770 F775 F790	P597-V773 HydrophobicContact CB-CG1 3.84Å; I598-V773 CarbonylContact O-C 3.48Å; I598-V773 WeakPolarHBondContact O-CA 3.34Å; A599-V773 HydrophobicContact CB-CG2 4.38Å; V744-V773 HydrophobicContact CG1-CB 4.34Å; V744-V773 HydrophobicContact CG1-CG1 4.13Å; A747-V773 HydrophobicContact CB-CG2 4.02Å; M748-V773 HydrophobicContact CG-CG2 3.83Å; F770-V773 HydrophobicContact CE2-CG2 4Å; F770-V773 HydrophobicContact CZ-CG2 4.01Å; V773-F775 HydrophobicContact CG1-CB 4.4Å; V773-F790 HydrophobicContact CB-CB 4.41Å; V773-F790 PolarHBondContact N-O 2.78Å; V773-F790 PolarHBondContact O-N 3.38Å
774	Y	96.8	Very high	92.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.4	161.3	-69.6	-66.1	0	0	0	111	P597 I598 M736 K772 Y777 Y785 L788 L789 D801	P597-Y774 WeakPolarHBondContact CA-O 3.34Å; I598-Y774 PolarHBondContact N-O 3.22Å; I598-Y774 PolarHBondContact O-N 2.84Å; M736-Y774 HydrophobicContact CE-CE2 4.12Å; K772-Y774 HydrophobicContact CD-CD2 4.43Å; K772-Y774 HydrophobicContact CD-CE1 4.2Å; K772-Y774 HydrophobicContact CD-CE2 3.73Å; Y774-Y777 HydrophobicContact CD1-CD2 4.47Å; Y774-Y777 AromaticContact CD2-CD2 3.71Å; Y774-Y777 HydrophobicContact CD2-CD2 3.71Å; Y774-Y777 AromaticContact CD2-CE2 3.85Å; Y774-Y777 HydrophobicContact CD2-CE2 3.85Å; Y774-Y777 HydrophobicContact CE2-CD2 4.36Å; Y774-Y777 HydrophobicContact CE2-CE2 4.11Å; Y774-Y777 AromaticContact CG-CD2 3.77Å; Y774-Y777 HydrophobicContact CG-CD2 3.77Å; Y774-Y777 HydrophobicContact CG-CE2 4.34Å; Y774-Y785 HydrophobicContact CE2-CE2 4.41Å; Y774-L788 VanDerWaalsContact CA-O 3.31Å; Y774-L788 WeakPolarHBondContact CA-O 3.34Å; Y774-L789 HydrophobicContact CE1-CD1 4.32Å; Y774-D801 HydrophobicContact CE1-CB 3.93Å; Y774-D801 PolarHBondContact OH-OD2 2.89Å
775	F	94.5	Very high	92.9	Very high	45 Å²	45	36.4 Å²	36.4	20%	0.197	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	109.1	174	178.1	-123.9	0	0	0	112.4	D595 P597 V744 V773 L788 F790	D595-F775 WeakPolarHBondContact OD1-CE2 3.46Å; P597-F775 HydrophobicContact CG-CB 4.38Å; P597-F775 HydrophobicContact CG-CD2 4.07Å; P597-F775 HydrophobicContact CG-CG 4.17Å; V744-F775 HydrophobicContact CG2-CB 4.06Å; V744-F775 HydrophobicContact CG2-CD1 3.58Å; V744-F775 HydrophobicContact CG2-CE1 4.33Å; V744-F775 HydrophobicContact CG2-CG 4.06Å; V773-F775 HydrophobicContact CG1-CB 4.4Å; F775-L788 PolarHBondContact N-O 3.22Å; F775-F790 HydrophobicContact CB-CE2 4.16Å; F775-F790 WeakPolarHBondContact O-CE2 3.23Å
776	P	93.6	Very high	93.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-75.1	174.3	-7.2	32.9	-34.8	0	0	0	112.6	Y593 Y594 G787 L788 L828	Y593-P776 HydrophobicContact CE2-CB 3.78Å; Y593-P776 HydrophobicContact CE2-CG 4.2Å; Y593-P776 WeakPolarHBondContact OH-CB 3.44Å; Y594-P776 WeakPolarHBondContact O-CA 3.35Å; P776-G787 VanDerWaalsContact O-CA 3.26Å; P776-G787 WeakPolarHBondContact O-CA 3.42Å; P776-L788 PolarHBondContact O-N 3.01Å; P776-L828 VanDerWaalsContact CD-O 3.28Å; P776-L828 WeakPolarHBondContact CD-O 3.46Å; P776-L828 HydrophobicContact CG-CB 4.15Å; P776-L828 HydrophobicContact CG-CD2 3.86Å; P776-L828 WeakPolarHBondContact CG-O 3.28Å
777	Y	94.9	Very high	93.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.5	-178.5	-179	-118.1	0	0	0	111.6	Y594 I598 V728 M736 Y774 L779 Y785 A786	Y594-Y777 HydrophobicContact CD2-CD1 4.15Å; Y594-Y777 PolarHBondContact N-O 2.92Å; Y594-Y777 PolarHBondContact O-N 3.25Å; I598-Y777 HydrophobicContact CB-CD1 4.47Å; I598-Y777 HydrophobicContact CG1-CD1 3.85Å; I598-Y777 HydrophobicContact CG1-CG 4.14Å; V728-Y777 HydrophobicContact CG2-CE1 4.48Å; M736-Y777 HydrophobicContact SD-CE2 4.42Å; M736-Y777 PolarHBondContact SD-OH 3.37Å; Y774-Y777 HydrophobicContact CD1-CD2 4.47Å; Y774-Y777 AromaticContact CD2-CD2 3.71Å; Y774-Y777 HydrophobicContact CD2-CD2 3.71Å; Y774-Y777 AromaticContact CD2-CE2 3.85Å; Y774-Y777 HydrophobicContact CD2-CE2 3.85Å; Y774-Y777 HydrophobicContact CE2-CD2 4.36Å; Y774-Y777 HydrophobicContact CE2-CE2 4.11Å; Y774-Y777 AromaticContact CG-CD2 3.77Å; Y774-Y777 HydrophobicContact CG-CD2 3.77Å; Y774-Y777 HydrophobicContact CG-CE2 4.34Å; Y777-L779 HydrophobicContact CD1-CB 4.4Å; Y777-L779 HydrophobicContact CE1-CB 3.72Å; Y777-L779 HydrophobicContact CE1-CD2 4.06Å; Y777-L779 HydrophobicContact CE1-CG 4.42Å; Y777-Y785 AromaticContact CE2-CD2 3.73Å; Y777-Y785 HydrophobicContact CE2-CD2 3.73Å; Y777-Y785 HydrophobicContact CE2-CE2 4.49Å; Y777-Y785 HydrophobicContact CE2-CG 4.04Å; Y777-A786 VanDerWaalsContact CD2-O 3.31Å; Y777-A786 WeakPolarHBondContact CD2-O 3.5Å
778	L	94.2	Very high	93.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	111.9	-178.7	177.6	64.3	0	0	0	110.2	Y593 I780 Y785 A786 L824 L827 L828 I945 P948	Y593-L778 HydrophobicContact CD2-CD1 4.41Å; L778-I780 HydrophobicContact CG-CG1 4.25Å; L778-Y785 CarbonylContact O-C 3.4Å; L778-Y785 WeakPolarHBondContact O-CA 3.43Å; L778-Y785 WeakPolarHBondContact O-CB 3.39Å; L778-A786 PolarHBondContact N-O 3.22Å; L778-A786 PolarHBondContact O-N 3.15Å; L778-L824 HydrophobicContact CD2-CD2 3.82Å; L778-L827 HydrophobicContact CD2-CD2 4.16Å; L778-L828 HydrophobicContact CB-CD2 4.47Å; L778-I945 HydrophobicContact CD2-CG2 4.32Å; L778-P948 HydrophobicContact CD1-CB 4.27Å; L778-P948 HydrophobicContact CD1-CG 4.5Å
779	L	94.8	Very high	93.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	107.4	-176	177.7	51.4	0	0	0	111.1	P589 L590 K591 G592 Y729 Y777 Y785	P589-L779 HydrophobicContact CB-CD1 3.93Å; P589-L779 HydrophobicContact CB-CD2 3.71Å; P589-L779 HydrophobicContact CB-CG 3.87Å; L590-L779 WeakPolarHBondContact O-CD2 3.49Å; K591-L779 WeakPolarHBondContact CA-O 3.39Å; G592-L779 PolarHBondContact N-O 3.42Å; G592-L779 PolarHBondContact O-N 2.88Å; Y729-L779 HydrophobicContact CD1-CD1 4.43Å; Y729-L779 HydrophobicContact CG-CD1 4.41Å; Y729-L779 HydrophobicContact CG-CD2 4.19Å; Y777-L779 HydrophobicContact CD1-CB 4.4Å; Y777-L779 HydrophobicContact CE1-CB 3.72Å; Y777-L779 HydrophobicContact CE1-CD2 4.06Å; Y777-L779 HydrophobicContact CE1-CG 4.42Å; L779-Y785 HydrophobicContact CD1-CD1 4.45Å
780	I	91.3	Very high	93.7	Very high	20 Å²	20	25 Å²	25	10%	0.103	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-47.6	-173.5	-54	179.9	0	0	0	110.8	K591 L778 R784 L805 R944 I945	K591-I780 WeakPolarHBondContact CD-O 3.44Å; L778-I780 HydrophobicContact CG-CG1 4.25Å; I780-R784 PolarHBondContact N-O 3.25Å; I780-R784 VanDerWaalsContact N-O 3.08Å; I780-L805 HydrophobicContact CD1-CD2 3.81Å; I780-R944 HydrophobicContact CD1-CB 4.43Å; I780-R944 WeakPolarHBondContact CD1-O 3.43Å; I780-R944 HydrophobicContact CG2-CB 4.07Å; I780-R944 HydrophobicContact CG2-CG 4.43Å; I780-I945 HydrophobicContact CD1-CG1 4.23Å
781	S	91.7	Very high	93.3	Very high	38 Å²	38	25 Å²	25	27%	0.266	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	179.2	177.2	47.6	0	0	0	0	111.7	K783 R784	S781-K783 PolarHBondContact O-N 2.83Å; S781-R784 PolarHBondContact N-O 3.42Å; S781-R784 CarbonylContact O-C 3.58Å; S781-R784 WeakPolarHBondContact O-CA 3.26Å; S781-R784 PolarHBondContact O-N 3.24Å; S781-R784 VanDerWaalsContact O-O 3.09Å
782	K	91.6	Very high	92.7	Very high	78 Å²	78	25.4 Å²	25.4	34%	0.339	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	128.9	177.3	-65.5	-170	-179.7	-166.4	0	110.8	V586 E588 P589 Y729 R784	V586-K782 HydrophobicContact CB-CD 4.17Å; V586-K782 HydrophobicContact CG1-CB 4.29Å; V586-K782 HydrophobicContact CG1-CD 3.75Å; V586-K782 HydrophobicContact CG1-CG 4Å; V586-K782 PolarHBondContact O-NZ 2.7Å; E588-K782 VanDerWaalsContact CD-NZ 3.26Å; E588-K782 WeakPolarHBondContact OE1-CE 3.49Å; E588-K782 IonicContact OE1-NZ 2.71Å; E588-K782 PolarHBondContact OE1-NZ 2.97Å; E588-K782 WeakPolarHBondContact OE2-CE 3.31Å; E588-K782 IonicContact OE2-NZ 2.75Å; E588-K782 PolarHBondContact OE2-NZ 2.89Å; P589-K782 HydrophobicContact CG-CG 4.13Å; Y729-K782 HydrophobicContact CE2-CG 4.33Å; Y729-K782 WeakPolarHBondContact OH-CA 3.47Å; K782-R784 PolarHBondContact O-N 3.31Å
783	K	89.9	Confident	92	Very high	107 Å²	107	32.4 Å²	32.4	47%	0.465	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	21.3	-175.9	-54.1	-175.8	-178.7	-73.6	0	114.6	Y729 D731 S781 G804	Y729-K783 PolarHBondContact OH-N 3.26Å; D731-K783 IonicContact OD1-NZ 3.51Å; D731-K783 PolarHBondContact OD1-NZ 3.06Å; D731-K783 WeakPolarHBondContact OD2-CG 3.35Å; D731-K783 IonicContact OD2-NZ 2.67Å; D731-K783 PolarHBondContact OD2-NZ 3.18Å; S781-K783 PolarHBondContact O-N 2.83Å; K783-G804 WeakPolarHBondContact O-CA 3.49Å
784	R	93.3	Very high	91.4	Very high	53 Å²	53	35.4 Å²	35.4	20%	0.2	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	99	178.6	-68.1	-167.2	-175.3	-130.1	10.4	112.5	I780 S781 K782 K803 L805 E806	I780-R784 PolarHBondContact N-O 3.25Å; I780-R784 VanDerWaalsContact N-O 3.08Å; S781-R784 PolarHBondContact N-O 3.42Å; S781-R784 CarbonylContact O-C 3.58Å; S781-R784 WeakPolarHBondContact O-CA 3.26Å; S781-R784 PolarHBondContact O-N 3.24Å; S781-R784 VanDerWaalsContact O-O 3.09Å; K782-R784 PolarHBondContact O-N 3.31Å; R784-K803 VanDerWaalsContact CA-O 3.31Å; R784-K803 WeakPolarHBondContact CA-O 3.44Å; R784-L805 HydrophobicContact CB-CD2 3.97Å; R784-E806 IonicContact CZ-OE1 2.69Å; R784-E806 IonicContact NH1-OE1 2.74Å; R784-E806 PolarHBondContact NH1-OE1 2.84Å; R784-E806 IonicContact NH1-OE2 3.09Å; R784-E806 PolarHBondContact NH1-OE2 2.87Å
785	Y	94.5	Very high	90.7	Very high	19 Å²	19	40.7 Å²	40.7	8%	0.075	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	163.5	-179.3	57	-99.2	0	0	0	112.4	Y729 M736 Y774 Y777 L778 L779 K803	Y729-Y785 HydrophobicContact CD1-CD1 4.39Å; Y729-Y785 HydrophobicContact CD1-CE1 4.27Å; Y729-Y785 HydrophobicContact CE1-CD1 4.11Å; Y729-Y785 AromaticContact CE1-CE1 3.85Å; Y729-Y785 HydrophobicContact CE1-CE1 3.85Å; M736-Y785 HydrophobicContact CE-CE1 4.28Å; M736-Y785 HydrophobicContact CE-CE2 4.01Å; M736-Y785 WeakPolarHBondContact CE-OH 3.48Å; Y774-Y785 HydrophobicContact CE2-CE2 4.41Å; Y777-Y785 AromaticContact CE2-CD2 3.73Å; Y777-Y785 HydrophobicContact CE2-CD2 3.73Å; Y777-Y785 HydrophobicContact CE2-CE2 4.49Å; Y777-Y785 HydrophobicContact CE2-CG 4.04Å; L778-Y785 CarbonylContact O-C 3.4Å; L778-Y785 WeakPolarHBondContact O-CA 3.43Å; L778-Y785 WeakPolarHBondContact O-CB 3.39Å; L779-Y785 HydrophobicContact CD1-CD1 4.45Å; Y785-K803 HydrophobicContact CD1-CB 4.31Å; Y785-K803 HydrophobicContact CD2-CB 4.19Å; Y785-K803 HydrophobicContact CD2-CG 3.99Å; Y785-K803 HydrophobicContact CE1-CB 4.03Å; Y785-K803 HydrophobicContact CE1-CG 4.08Å; Y785-K803 HydrophobicContact CE2-CB 3.92Å; Y785-K803 HydrophobicContact CE2-CG 3.31Å; Y785-K803 HydrophobicContact CG-CB 4.4Å; Y785-K803 PolarHBondContact N-O 3.14Å; Y785-K803 PolarHBondContact O-N 3Å
786	A	95.7	Very high	90.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	163.6	172	0	0	0	0	0	111.3	Y777 L778 D801 L805 L824 L828	Y777-A786 VanDerWaalsContact CD2-O 3.31Å; Y777-A786 WeakPolarHBondContact CD2-O 3.5Å; L778-A786 PolarHBondContact N-O 3.22Å; L778-A786 PolarHBondContact O-N 3.15Å; A786-D801 VanDerWaalsContact CA-O 3.23Å; A786-D801 WeakPolarHBondContact CA-O 3.37Å; A786-D801 WeakPolarHBondContact CB-O 3.31Å; A786-L805 HydrophobicContact CB-CD1 3.76Å; A786-L824 HydrophobicContact CB-CD1 4.25Å; A786-L824 HydrophobicContact CB-CD2 4.39Å; A786-L828 HydrophobicContact CB-CD1 4.19Å
787	G	95	Very high	90.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.1	166.4	175.3	0	0	0	0	0	111.9	P776 M800 D801	P776-G787 VanDerWaalsContact O-CA 3.26Å; P776-G787 WeakPolarHBondContact O-CA 3.42Å; G787-M800 WeakPolarHBondContact O-CA 3.48Å; G787-D801 PolarHBondContact N-O 2.87Å; G787-D801 PolarHBondContact O-N 3.1Å
788	L	94.8	Very high	89.8	Confident	8 Å²	8	48.6 Å²	48.6	4%	0.042	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.3	170.7	-61.7	-172.3	0	0	0	110.3	Y774 F775 P776 F790 H797 M800 L828 I829	Y774-L788 VanDerWaalsContact CA-O 3.31Å; Y774-L788 WeakPolarHBondContact CA-O 3.34Å; F775-L788 PolarHBondContact N-O 3.22Å; P776-L788 PolarHBondContact O-N 3.01Å; L788-F790 HydrophobicContact CB-CE2 4.17Å; L788-H797 HydrophobicContact CB-CB 4.25Å; L788-M800 HydrophobicContact CD2-CB 3.96Å; L788-M800 HydrophobicContact CD2-CG 4.35Å; L788-L828 VanDerWaalsContact CD1-O 3.28Å; L788-L828 WeakPolarHBondContact CD1-O 3.28Å; L788-L828 HydrophobicContact CD2-CB 4.26Å; L788-L828 HydrophobicContact CG-CB 4.19Å; L788-I829 HydrophobicContact CD1-CG1 4.03Å; L788-I829 HydrophobicContact CD2-CD1 4.47Å; L788-I829 HydrophobicContact CD2-CG1 3.77Å; L788-I829 HydrophobicContact CG-CG1 4.48Å
789	L	93.9	Very high	89.7	Confident	8 Å²	8	55.5 Å²	55.5	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	125.4	-176.1	-179.6	69.3	0	0	0	110.9	K772 Y774 H797 D798 R799	K772-L789 HydrophobicContact CB-CD1 3.49Å; K772-L789 VanDerWaalsContact CB-CD1 3.49Å; K772-L789 HydrophobicContact CD-CD1 3.44Å; K772-L789 VanDerWaalsContact CD-CD1 3.44Å; K772-L789 HydrophobicContact CG-CD1 4Å; Y774-L789 HydrophobicContact CE1-CD1 4.32Å; L789-H797 CarbonylContact O-C 3.56Å; L789-H797 WeakPolarHBondContact O-CA 3.31Å; L789-D798 HydrophobicContact CB-CB 4.47Å; L789-D798 HydrophobicContact CD2-CB 4.12Å; L789-D798 HydrophobicContact CG-CB 4.3Å; L789-D798 PolarHBondContact O-N 2.9Å; L789-R799 HydrophobicContact CB-CG 4.44Å; L789-R799 VanDerWaalsContact CB-O 3.27Å; L789-R799 WeakPolarHBondContact CB-O 3.4Å; L789-R799 HydrophobicContact CD2-CG 4.13Å; L789-R799 PolarHBondContact N-O 3.08Å
790	F	93.9	Very high	89.6	Confident	17 Å²	17	57.4 Å²	57.4	8%	0.075	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	105	166.7	-66	-108.1	0	0	0	108.7	V744 M748 K772 V773 F775 L788 A796 H797	V744-F790 HydrophobicContact CG1-CB 4.15Å; V744-F790 HydrophobicContact CG1-CD1 4.01Å; V744-F790 HydrophobicContact CG1-CG 4.08Å; M748-F790 HydrophobicContact CE-CB 3.67Å; M748-F790 WeakPolarHBondContact CE-O 3.48Å; K772-F790 WeakPolarHBondContact CA-O 3.38Å; V773-F790 HydrophobicContact CB-CB 4.41Å; V773-F790 PolarHBondContact N-O 2.78Å; V773-F790 PolarHBondContact O-N 3.38Å; F775-F790 HydrophobicContact CB-CE2 4.16Å; F775-F790 WeakPolarHBondContact O-CE2 3.23Å; L788-F790 HydrophobicContact CB-CE2 4.17Å; F790-A796 VanDerWaalsContact CD1-O 3.23Å; F790-A796 WeakPolarHBondContact CD1-O 3.29Å; F790-H797 HydrophobicContact CD1-CB 4.39Å; F790-H797 HydrophobicContact CD2-CB 4.14Å; F790-H797 HydrophobicContact CE1-CB 4.06Å; F790-H797 HydrophobicContact CE2-CB 3.76Å; F790-H797 HydrophobicContact CG-CB 4.44Å; F790-H797 HydrophobicContact CZ-CB 3.74Å
791	S	84.6	Confident	89.7	Confident	35 Å²	35	57.2 Å²	57.2	25%	0.245	29%	0.289	C	S	.	.	S	Bend	trans	-91.4	-55.2	177.8	61.6	0	0	0	0	112.9	D798	S791-D798 WeakPolarHBondContact CB-OD2 3.44Å; S791-D798 PolarHBondContact N-OD2 2.69Å; S791-D798 VanDerWaalsContact OG-CG 3.26Å; S791-D798 PolarHBondContact OG-OD1 3.18Å; S791-D798 PolarHBondContact OG-OD2 2.92Å
792	S	76.9	Confident	89.8	Confident	88 Å²	88	56.2 Å²	56.2	62%	0.615	28%	0.281	S	S	*	.	S	Bend	trans	-107.5	-31.2	-156.8	-55.8	0	0	0	0	113.9
793	R	79.4	Confident	89.8	Confident	163 Å²	163	56.1 Å²	56.1	62%	0.615	28%	0.281	S	S	*	.			trans	-140.5	157.5	-177.6	-53.4	-176.4	-169.4	173.4	4.4	110.7	M748 D795	M748-R793 WeakPolarHBondContact CE-O 3.47Å; R793-D795 WeakPolarHBondContact CB-OD1 3.31Å; R793-D795 VanDerWaalsContact CD-OD1 3.29Å; R793-D795 WeakPolarHBondContact CD-OD1 3.47Å; R793-D795 IonicContact NH1-OD2 3.33Å
794	P	83.8	Confident	89.8	Confident	63 Å²	63	52.6 Å²	52.6	41%	0.409	28%	0.275	S	S	.	.	S	Bend	trans	-92	-6.1	177.6	37.2	-36.1	0	0	0	114.4	V744 A745 M748	V744-P794 HydrophobicContact CB-CB 4.09Å; V744-P794 HydrophobicContact CG1-CB 3.94Å; A745-P794 HydrophobicContact CB-CB 3.83Å; A745-P794 HydrophobicContact CB-CG 3.96Å; M748-P794 HydrophobicContact SD-CB 4.49Å
795	D	81.8	Confident	89.7	Confident	112 Å²	112	50.1 Å²	50.1	60%	0.599	27%	0.266	S	S	*	.	S	Bend	trans	-84	-35.6	-175	59.9	-17.2	0	0	0	113.4	R793	R793-D795 WeakPolarHBondContact CB-OD1 3.31Å; R793-D795 VanDerWaalsContact CD-OD1 3.29Å; R793-D795 WeakPolarHBondContact CD-OD1 3.47Å; R793-D795 IonicContact NH1-OD2 3.33Å
796	A	86.8	Confident	89.5	Confident	58 Å²	58	50.1 Å²	50.1	48%	0.479	27%	0.266	S	S	.	.	S	Bend	trans	-135.9	148.1	-177.2	0	0	0	0	0	112.3	F790	F790-A796 VanDerWaalsContact CD1-O 3.23Å; F790-A796 WeakPolarHBondContact CD1-O 3.29Å
797	H	89.6	Confident	89.1	Confident	79 Å²	79	51.2 Å²	51.2	37%	0.366	28%	0.275	S	S	.	.			trans	-88.1	146.4	173.9	67.1	-97.1	0	0	0	111.3	L788 L789 F790	L788-H797 HydrophobicContact CB-CB 4.25Å; L789-H797 CarbonylContact O-C 3.56Å; L789-H797 WeakPolarHBondContact O-CA 3.31Å; F790-H797 HydrophobicContact CD1-CB 4.39Å; F790-H797 HydrophobicContact CD2-CB 4.14Å; F790-H797 HydrophobicContact CE1-CB 4.06Å; F790-H797 HydrophobicContact CE2-CB 3.76Å; F790-H797 HydrophobicContact CG-CB 4.44Å; F790-H797 HydrophobicContact CZ-CB 3.74Å
798	D	89.3	Confident	88.8	Confident	75 Å²	75	55.1 Å²	55.1	40%	0.401	30%	0.299	S	S	.	.			trans	-76.5	-45.2	179	-60.6	-64.4	0	0	0	112.1	L789 S791	L789-D798 HydrophobicContact CB-CB 4.47Å; L789-D798 HydrophobicContact CD2-CB 4.12Å; L789-D798 HydrophobicContact CG-CB 4.3Å; L789-D798 PolarHBondContact O-N 2.9Å; S791-D798 WeakPolarHBondContact CB-OD2 3.44Å; S791-D798 PolarHBondContact N-OD2 2.69Å; S791-D798 VanDerWaalsContact OG-CG 3.26Å; S791-D798 PolarHBondContact OG-OD1 3.18Å; S791-D798 PolarHBondContact OG-OD2 2.92Å
799	R	90.6	Very high	88.5	Confident	145 Å²	145	59 Å²	59	55%	0.547	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	170.1	-178.8	58.8	-176	177.7	-78.4	1.1	111.3	L789	L789-R799 HydrophobicContact CB-CG 4.44Å; L789-R799 VanDerWaalsContact CB-O 3.27Å; L789-R799 WeakPolarHBondContact CB-O 3.4Å; L789-R799 HydrophobicContact CD2-CG 4.13Å; L789-R799 PolarHBondContact N-O 3.08Å
800	M	93.5	Very high	88.2	Confident	39 Å²	39	62.2 Å²	62.2	19%	0.192	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	128.7	160.7	-173	172	71.7	0	0	110.1	G787 L788 T821 L824 R825 L828	G787-M800 WeakPolarHBondContact O-CA 3.48Å; L788-M800 HydrophobicContact CD2-CB 3.96Å; L788-M800 HydrophobicContact CD2-CG 4.35Å; M800-T821 HydrophobicContact CE-CG2 4Å; M800-L824 HydrophobicContact CE-CB 4.01Å; M800-L824 HydrophobicContact SD-CB 3.57Å; M800-L824 VanDerWaalsContact SD-CB 3.57Å; M800-R825 HydrophobicContact CE-CG 4.27Å; M800-R825 HydrophobicContact SD-CG 4.49Å; M800-L828 HydrophobicContact CG-CD1 4.17Å; M800-L828 HydrophobicContact SD-CD1 3.95Å
801	D	92.8	Very high	87.7	Confident	17 Å²	17	64.6 Å²	64.6	9%	0.091	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	149.3	168	-155.5	-17.6	0	0	0	110.2	Y774 A786 G787 K803	Y774-D801 HydrophobicContact CE1-CB 3.93Å; Y774-D801 PolarHBondContact OH-OD2 2.89Å; A786-D801 VanDerWaalsContact CA-O 3.23Å; A786-D801 WeakPolarHBondContact CA-O 3.37Å; A786-D801 WeakPolarHBondContact CB-O 3.31Å; G787-D801 PolarHBondContact N-O 2.87Å; G787-D801 PolarHBondContact O-N 3.1Å; D801-K803 VanDerWaalsContact OD1-CE 3.28Å; D801-K803 WeakPolarHBondContact OD1-CE 3.02Å; D801-K803 IonicContact OD1-NZ 3.53Å; D801-K803 PolarHBondContact OD1-NZ 3.18Å; D801-K803 VanDerWaalsContact OD2-CE 3.23Å; D801-K803 WeakPolarHBondContact OD2-CE 3.19Å; D801-K803 IonicContact OD2-NZ 3.77Å; D801-K803 PolarHBondContact OD2-NZ 2.94Å
802	C	93.3	Very high	88	Confident	16 Å²	16	63.3 Å²	63.3	11%	0.108	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	101.6	-175.1	-80	0	0	0	0	109.6	V808	C802-V808 HydrophobicContact CB-CG1 4.1Å; C802-V808 WeakPolarHBondContact O-CG1 3.49Å; C802-V808 WeakPolarHBondContact O-CG2 2.97Å
803	K	91.9	Very high	88.6	Confident	77 Å²	77	59.1 Å²	59.1	34%	0.335	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.1	178	-56.2	-48.6	-172.5	-153.1	0	110.7	R784 Y785 D801 L805	R784-K803 VanDerWaalsContact CA-O 3.31Å; R784-K803 WeakPolarHBondContact CA-O 3.44Å; Y785-K803 HydrophobicContact CD1-CB 4.31Å; Y785-K803 HydrophobicContact CD2-CB 4.19Å; Y785-K803 HydrophobicContact CD2-CG 3.99Å; Y785-K803 HydrophobicContact CE1-CB 4.03Å; Y785-K803 HydrophobicContact CE1-CG 4.08Å; Y785-K803 HydrophobicContact CE2-CB 3.92Å; Y785-K803 HydrophobicContact CE2-CG 3.31Å; Y785-K803 HydrophobicContact CG-CB 4.4Å; Y785-K803 PolarHBondContact N-O 3.14Å; Y785-K803 PolarHBondContact O-N 3Å; D801-K803 VanDerWaalsContact OD1-CE 3.28Å; D801-K803 WeakPolarHBondContact OD1-CE 3.02Å; D801-K803 IonicContact OD1-NZ 3.53Å; D801-K803 PolarHBondContact OD1-NZ 3.18Å; D801-K803 VanDerWaalsContact OD2-CE 3.23Å; D801-K803 WeakPolarHBondContact OD2-CE 3.19Å; D801-K803 IonicContact OD2-NZ 3.77Å; D801-K803 PolarHBondContact OD2-NZ 2.94Å; K803-L805 PolarHBondContact O-N 3.13Å
804	G	89.8	Confident	89.2	Confident	32 Å²	32	52.6 Å²	52.6	33%	0.33	28%	0.278	S	S	.	.	S	Bend	trans	65.5	-6.1	172.9	0	0	0	0	0	116.9	K783	K783-G804 WeakPolarHBondContact O-CA 3.49Å
805	L	91.2	Very high	89.7	Confident	2 Å²	2	50 Å²	50	1%	0.01	26%	0.26	C	S	.	.	S	Bend	trans	-71.7	159.4	177.1	-55.7	-166.8	0	0	0	111.9	I780 R784 A786 K803 A807 V808 L824	I780-L805 HydrophobicContact CD1-CD2 3.81Å; R784-L805 HydrophobicContact CB-CD2 3.97Å; A786-L805 HydrophobicContact CB-CD1 3.76Å; K803-L805 PolarHBondContact O-N 3.13Å; L805-A807 PolarHBondContact O-N 3.04Å; L805-A807 VanDerWaalsContact O-N 3.09Å; L805-V808 VanDerWaalsContact O-CG2 3.29Å; L805-V808 WeakPolarHBondContact O-CG2 3.21Å; L805-V808 PolarHBondContact O-N 3.24Å; L805-V808 VanDerWaalsContact O-N 3.08Å; L805-L824 HydrophobicContact CD1-CD1 3.87Å
806	E	90.9	Very high	90.3	Very high	18 Å²	18	44.7 Å²	44.7	8%	0.084	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-62.8	-16.3	-176.3	-76.2	76.2	-172.3	0	0	114.5	R784 N812 V816 P941 R944	R784-E806 IonicContact CZ-OE1 2.69Å; R784-E806 IonicContact NH1-OE1 2.74Å; R784-E806 PolarHBondContact NH1-OE1 2.84Å; R784-E806 IonicContact NH1-OE2 3.09Å; R784-E806 PolarHBondContact NH1-OE2 2.87Å; E806-N812 PolarHBondContact O-ND2 2.9Å; E806-V816 HydrophobicContact CB-CG1 4.09Å; E806-P941 HydrophobicContact CB-CB 4.22Å; E806-P941 HydrophobicContact CB-CG 4.27Å; E806-P941 HydrophobicContact CG-CB 4.1Å; E806-P941 HydrophobicContact CG-CG 3.77Å; E806-R944 IonicContact OE1-NH1 2.68Å; E806-R944 PolarHBondContact OE1-NH1 3.09Å
807	A	88.4	Confident	90.6	Very high	23 Å²	23	42.6 Å²	42.6	19%	0.19	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-67.3	-29.1	171	0	0	0	0	0	114.6	L805 V820	L805-A807 PolarHBondContact O-N 3.04Å; L805-A807 VanDerWaalsContact O-N 3.09Å; A807-V820 HydrophobicContact CB-CB 4.46Å; A807-V820 HydrophobicContact CB-CG1 3.9Å
808	V	88.6	Confident	90.8	Very high	82 Å²	82	43 Å²	43	50%	0.497	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-104.6	8.3	-179.5	-61.7	0	0	0	0	113.1	C802 L805	C802-V808 HydrophobicContact CB-CG1 4.1Å; C802-V808 WeakPolarHBondContact O-CG1 3.49Å; C802-V808 WeakPolarHBondContact O-CG2 2.97Å; L805-V808 VanDerWaalsContact O-CG2 3.29Å; L805-V808 WeakPolarHBondContact O-CG2 3.21Å; L805-V808 PolarHBondContact O-N 3.24Å; L805-V808 VanDerWaalsContact O-N 3.08Å
809	R	88.3	Confident	91.1	Very high	90 Å²	90	39.7 Å²	39.7	34%	0.34	20%	0.202	S	C	.	.			trans	-95.1	165.5	177.8	-71.1	-180	68.9	129.3	-2.7	111.4	D811	R809-D811 WeakPolarHBondContact CB-OD1 3.42Å; R809-D811 IonicContact CZ-OD1 2.64Å; R809-D811 IonicContact CZ-OD2 2.62Å; R809-D811 IonicContact NE-OD1 3.99Å; R809-D811 PolarHBondContact NE-OD1 2.9Å; R809-D811 IonicContact NE-OD2 3.81Å; R809-D811 IonicContact NH2-OD1 2.85Å; R809-D811 PolarHBondContact NH2-OD1 3.22Å; R809-D811 IonicContact NH2-OD2 3.14Å; R809-D811 PolarHBondContact NH2-OD2 2.97Å
810	R	87	Confident	91.2	Very high	75 Å²	75	32.9 Å²	32.9	28%	0.283	18%	0.176	S	C	.	.	S	Bend	trans	-130.1	10.9	-176	-56.5	-170.8	-55.3	-69.2	-2.2	113.6	K468 L469 T860	K468-R810 VanDerWaalsContact O-CD 3.28Å; K468-R810 WeakPolarHBondContact O-CD 3.31Å; K468-R810 PolarHBondContact O-NE 3.07Å; K468-R810 VanDerWaalsContact O-NE 3.07Å; K468-R810 PolarHBondContact O-NH1 3.36Å; L469-R810 VanDerWaalsContact C-CD 3.45Å; L469-R810 WeakPolarHBondContact O-CD 3.39Å; L469-R810 PolarHBondContact O-NE 2.7Å; R810-T860 PolarHBondContact O-OG1 3.37Å
811	D	83.6	Confident	91.2	Very high	67 Å²	67	32.7 Å²	32.7	36%	0.358	18%	0.177	S	C	.	.	S	Bend	trans	-105.6	10.1	-179.1	62.3	-42	0	0	0	113.8	R809	R809-D811 WeakPolarHBondContact CB-OD1 3.42Å; R809-D811 IonicContact CZ-OD1 2.64Å; R809-D811 IonicContact CZ-OD2 2.62Å; R809-D811 IonicContact NE-OD1 3.99Å; R809-D811 PolarHBondContact NE-OD1 2.9Å; R809-D811 IonicContact NE-OD2 3.81Å; R809-D811 IonicContact NH2-OD1 2.85Å; R809-D811 PolarHBondContact NH2-OD1 3.22Å; R809-D811 IonicContact NH2-OD2 3.14Å; R809-D811 PolarHBondContact NH2-OD2 2.97Å
812	N	89.8	Confident	91.3	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.043	18%	0.182	C	C	.	.	S	Bend	trans	-121	168.4	175.4	56.6	-4.3	0	0	0	110.9	R470 E806 V816	R470-N812 PolarHBondContact NH1-O 2.95Å; R470-N812 PolarHBondContact NH2-O 3.28Å; E806-N812 PolarHBondContact O-ND2 2.9Å; N812-V816 HydrophobicContact CB-CB 4.29Å; N812-V816 HydrophobicContact CB-CG1 4.46Å
813	C	90.6	Very high	91.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.007	18%	0.176	C	C	.	.			trans	-78.6	157.6	173.5	63.5	0	0	0	0	112.6	L815 V816 Q856 L857 I859 Y933	C813-L815 PolarHBondContact O-N 3.09Å; C813-V816 PolarHBondContact O-N 2.94Å; C813-V816 VanDerWaalsContact O-N 3.17Å; C813-Q856 WeakPolarHBondContact CB-O 3.46Å; C813-L857 WeakPolarHBondContact CB-O 3.42Å; C813-I859 HydrophobicContact CB-CG1 4.07Å; C813-Y933 HydrophobicContact CB-CE1 4.21Å
814	P	92.1	Very high	91.4	Very high	25 Å²	25	28.5 Å²	28.5	16%	0.162	16%	0.16	C	C	.	.	H	α-helix	trans	-58.2	-32.7	-177.6	-26.1	35.5	0	0	0	114	V816 A817 N818 Q856 V858	P814-V816 VanDerWaalsContact C-N 3.26Å; P814-V816 PolarHBondContact O-N 2.88Å; P814-A817 PolarHBondContact O-N 3.23Å; P814-A817 VanDerWaalsContact O-N 3.13Å; P814-N818 WeakPolarHBondContact O-CB 3.49Å; P814-N818 VanDerWaalsContact O-CG 3.28Å; P814-N818 PolarHBondContact O-N 2.66Å; P814-N818 PolarHBondContact O-ND2 2.65Å; P814-Q856 WeakPolarHBondContact CD-O 3.33Å; P814-V858 WeakPolarHBondContact CD-O 3.49Å
815	L	94.6	Very high	91.6	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.047	17%	0.171	C	C	.	.	H	α-helix	trans	-53.8	-42.1	177	-170.6	148	0	0	0	112.4	C813 L819 V843 L847 I852 Q856 L857 L938	C813-L815 PolarHBondContact O-N 3.09Å; L815-L819 VanDerWaalsContact O-CB 3.28Å; L815-L819 WeakPolarHBondContact O-CB 3.43Å; L815-L819 PolarHBondContact O-N 3.42Å; L815-V843 HydrophobicContact CD1-CG1 4.34Å; L815-V843 HydrophobicContact CD2-CG1 3.99Å; L815-V843 HydrophobicContact CG-CG1 4.27Å; L815-L847 HydrophobicContact CD1-CD1 4.18Å; L815-I852 HydrophobicContact CD1-CB 4.37Å; L815-I852 HydrophobicContact CD1-CD1 3.74Å; L815-I852 HydrophobicContact CD1-CG1 3.82Å; L815-I852 HydrophobicContact CD1-CG2 3.63Å; L815-Q856 HydrophobicContact CB-CB 4.1Å; L815-Q856 VanDerWaalsContact CB-O 3.26Å; L815-Q856 WeakPolarHBondContact CB-O 3.47Å; L815-Q856 PolarHBondContact N-O 3.48Å; L815-L857 HydrophobicContact CD1-CD2 4.23Å; L815-L938 HydrophobicContact CD2-CD1 3.88Å; L815-L938 HydrophobicContact CD2-CD2 3.52Å; L815-L938 HydrophobicContact CD2-CG 3.92Å
816	V	94.6	Very high	91.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-46.8	179	177.8	0	0	0	0	110.7	E806 N812 C813 P814 V820 Q937 L938 P941	E806-V816 HydrophobicContact CB-CG1 4.09Å; N812-V816 HydrophobicContact CB-CB 4.29Å; N812-V816 HydrophobicContact CB-CG1 4.46Å; C813-V816 PolarHBondContact O-N 2.94Å; C813-V816 VanDerWaalsContact O-N 3.17Å; P814-V816 VanDerWaalsContact C-N 3.26Å; P814-V816 PolarHBondContact O-N 2.88Å; V816-V820 HydrophobicContact CG1-CG2 4.36Å; V816-V820 VanDerWaalsContact O-CB 3.3Å; V816-V820 WeakPolarHBondContact O-CB 3.4Å; V816-V820 WeakPolarHBondContact O-CG2 3.31Å; V816-V820 PolarHBondContact O-N 2.83Å; V816-Q937 HydrophobicContact CG2-CB 3.79Å; V816-Q937 WeakPolarHBondContact CG2-O 3.37Å; V816-L938 HydrophobicContact CG2-CD2 4.31Å; V816-P941 HydrophobicContact CG1-CB 4.23Å; V816-P941 HydrophobicContact CG1-CG 3.94Å
817	A	92.9	Very high	91.6	Very high	13 Å²	13	37.2 Å²	37.2	11%	0.107	18%	0.183	C	C	.	.	H	α-helix	trans	-65.5	-41	-179.7	0	0	0	0	0	111.7	P814 T821	P814-A817 PolarHBondContact O-N 3.23Å; P814-A817 VanDerWaalsContact O-N 3.13Å; A817-T821 VanDerWaalsContact O-CB 3.32Å; A817-T821 WeakPolarHBondContact O-CB 3.3Å; A817-T821 PolarHBondContact O-N 3.32Å; A817-T821 PolarHBondContact O-OG1 3.38Å
818	N	93.7	Very high	91.7	Very high	88 Å²	88	36.1 Å²	36.1	47%	0.471	17%	0.174	S	C	.	.	H	α-helix	trans	-66.5	-47.2	178	-71.3	-19.1	0	0	0	111.6	P814 T821 A822 Q856	P814-N818 WeakPolarHBondContact O-CB 3.49Å; P814-N818 VanDerWaalsContact O-CG 3.28Å; P814-N818 PolarHBondContact O-N 2.66Å; P814-N818 PolarHBondContact O-ND2 2.65Å; N818-T821 PolarHBondContact O-N 3.2Å; N818-A822 WeakPolarHBondContact O-CB 3.29Å; N818-A822 PolarHBondContact O-N 2.82Å; N818-Q856 PolarHBondContact ND2-OE1 2.8Å
819	L	94.4	Very high	91.9	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-65.2	-45.3	177.5	179.3	57.7	0	0	0	111.9	L815 T821 A822 S823 H839 A840 V843 L938 L942	L815-L819 VanDerWaalsContact O-CB 3.28Å; L815-L819 WeakPolarHBondContact O-CB 3.43Å; L815-L819 PolarHBondContact O-N 3.42Å; L819-T821 VanDerWaalsContact C-N 3.29Å; L819-T821 PolarHBondContact O-N 3.36Å; L819-A822 PolarHBondContact O-N 3.45Å; L819-S823 WeakPolarHBondContact O-CB 3.36Å; L819-S823 PolarHBondContact O-N 3.49Å; L819-S823 PolarHBondContact O-OG 2.96Å; L819-H839 WeakPolarHBondContact CD1-ND1 3.21Å; L819-A840 HydrophobicContact CD1-CB 4.28Å; L819-V843 HydrophobicContact CD1-CB 4.4Å; L819-V843 HydrophobicContact CD1-CG2 4.3Å; L819-V843 HydrophobicContact CD2-CB 4.39Å; L819-V843 HydrophobicContact CD2-CG1 4.04Å; L819-L938 HydrophobicContact CD2-CD2 3.63Å; L819-L942 HydrophobicContact CD2-CD1 4.08Å; L819-L942 HydrophobicContact CD2-CD2 3.87Å; L819-L942 HydrophobicContact CD2-CG 4.38Å; L819-L942 HydrophobicContact CG-CD2 4.15Å
820	V	93.8	Very high	92.1	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-57.7	-43.5	174.7	167.1	0	0	0	0	110.8	A807 V816 L824 P941 I945	A807-V820 HydrophobicContact CB-CB 4.46Å; A807-V820 HydrophobicContact CB-CG1 3.9Å; V816-V820 HydrophobicContact CG1-CG2 4.36Å; V816-V820 VanDerWaalsContact O-CB 3.3Å; V816-V820 WeakPolarHBondContact O-CB 3.4Å; V816-V820 WeakPolarHBondContact O-CG2 3.31Å; V816-V820 PolarHBondContact O-N 2.83Å; V820-L824 HydrophobicContact CG1-CD1 3.73Å; V820-L824 HydrophobicContact CG1-CG 4.38Å; V820-L824 VanDerWaalsContact O-CB 3.3Å; V820-L824 WeakPolarHBondContact O-CB 3.42Å; V820-L824 WeakPolarHBondContact O-CG 3.41Å; V820-L824 PolarHBondContact O-N 2.85Å; V820-P941 HydrophobicContact CG2-CB 4.1Å; V820-I945 HydrophobicContact CB-CD1 4.22Å; V820-I945 HydrophobicContact CG1-CD1 3.7Å; V820-I945 HydrophobicContact CG2-CD1 3.82Å
821	T	93.8	Very high	92.1	Very high	35 Å²	35	37.2 Å²	37.2	22%	0.215	18%	0.181	C	C	.	.	H	α-helix	trans	-65.4	-40.6	177.7	-56.5	0	0	0	0	112.1	M800 A817 N818 L819 R825	M800-T821 HydrophobicContact CE-CG2 4Å; A817-T821 VanDerWaalsContact O-CB 3.32Å; A817-T821 WeakPolarHBondContact O-CB 3.3Å; A817-T821 PolarHBondContact O-N 3.32Å; A817-T821 PolarHBondContact O-OG1 3.38Å; N818-T821 PolarHBondContact O-N 3.2Å; L819-T821 VanDerWaalsContact C-N 3.29Å; L819-T821 PolarHBondContact O-N 3.36Å; T821-R825 VanDerWaalsContact O-CG 3.3Å; T821-R825 WeakPolarHBondContact O-CG 3.46Å; T821-R825 PolarHBondContact O-N 2.79Å
822	A	94.2	Very high	92.2	Very high	22 Å²	22	36.6 Å²	36.6	18%	0.182	18%	0.177	C	C	.	.	H	α-helix	trans	-69.1	-45.3	178.8	0	0	0	0	0	112.4	N818 L819 R825 R826 H839	N818-A822 WeakPolarHBondContact O-CB 3.29Å; N818-A822 PolarHBondContact O-N 2.82Å; L819-A822 PolarHBondContact O-N 3.45Å; A822-R825 PolarHBondContact O-N 3.22Å; A822-R826 PolarHBondContact O-N 2.81Å; A822-H839 VanDerWaalsContact CB-CE1 3.44Å; A822-H839 WeakPolarHBondContact CB-CE1 3.17Å
823	S	93	Very high	91.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-40.8	175.4	-66	0	0	0	0	111.8	L819 R826 L827	L819-S823 WeakPolarHBondContact O-CB 3.36Å; L819-S823 PolarHBondContact O-N 3.49Å; L819-S823 PolarHBondContact O-OG 2.96Å; S823-R826 PolarHBondContact O-N 2.73Å; S823-L827 WeakPolarHBondContact O-CB 3.08Å; S823-L827 PolarHBondContact O-N 2.71Å
824	L	93.4	Very high	91.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.1	-33.6	175.3	-70.8	172.2	0	0	0	112.7	L778 A786 M800 L805 V820 L828 I945	L778-L824 HydrophobicContact CD2-CD2 3.82Å; A786-L824 HydrophobicContact CB-CD1 4.25Å; A786-L824 HydrophobicContact CB-CD2 4.39Å; M800-L824 HydrophobicContact CE-CB 4.01Å; M800-L824 HydrophobicContact SD-CB 3.57Å; M800-L824 VanDerWaalsContact SD-CB 3.57Å; L805-L824 HydrophobicContact CD1-CD1 3.87Å; V820-L824 HydrophobicContact CG1-CD1 3.73Å; V820-L824 HydrophobicContact CG1-CG 4.38Å; V820-L824 VanDerWaalsContact O-CB 3.3Å; V820-L824 WeakPolarHBondContact O-CB 3.42Å; V820-L824 WeakPolarHBondContact O-CG 3.41Å; V820-L824 PolarHBondContact O-N 2.85Å; L824-L828 HydrophobicContact CB-CD1 4.32Å; L824-L828 HydrophobicContact CD2-CD1 4.26Å; L824-L828 WeakPolarHBondContact O-CB 3.24Å; L824-L828 WeakPolarHBondContact O-CG 3.43Å; L824-L828 PolarHBondContact O-N 3.44Å; L824-I945 HydrophobicContact CD2-CG2 3.98Å
825	R	94.3	Very high	91.5	Very high	145 Å²	145	43.6 Å²	43.6	55%	0.547	21%	0.214	S	C	.	.	H	α-helix	trans	-62.5	-52.9	171.7	-77.9	173.2	178.4	173.5	-0.6	111.4	M800 T821 A822 L827 L828 I829 D830	M800-R825 HydrophobicContact CE-CG 4.27Å; M800-R825 HydrophobicContact SD-CG 4.49Å; T821-R825 VanDerWaalsContact O-CG 3.3Å; T821-R825 WeakPolarHBondContact O-CG 3.46Å; T821-R825 PolarHBondContact O-N 2.79Å; A822-R825 PolarHBondContact O-N 3.22Å; R825-L827 VanDerWaalsContact C-N 3.28Å; R825-L827 PolarHBondContact O-N 3.36Å; R825-L828 PolarHBondContact O-N 2.95Å; R825-I829 HydrophobicContact CB-CD1 4.2Å; R825-I829 HydrophobicContact CG-CD1 4Å; R825-I829 WeakPolarHBondContact O-CA 3.28Å; R825-I829 VanDerWaalsContact O-CB 3.28Å; R825-I829 WeakPolarHBondContact O-CB 3.18Å; R825-I829 PolarHBondContact O-N 3.21Å; R825-D830 PolarHBondContact O-N 2.85Å
826	R	92.1	Very high	91.2	Very high	87 Å²	87	43.2 Å²	43.2	33%	0.328	21%	0.212	S	C	.	.	H	α-helix	trans	-58.7	-39.8	178.3	-69.3	179.8	179.6	-76.3	2	112.6	A822 S823 D830 R831 D832 A836	A822-R826 PolarHBondContact O-N 2.81Å; S823-R826 PolarHBondContact O-N 2.73Å; R826-D830 WeakPolarHBondContact CA-OD2 3.3Å; R826-D830 CarbonylContact O-C 3.47Å; R826-D830 WeakPolarHBondContact O-CB 3.28Å; R826-D830 PolarHBondContact O-N 2.92Å; R826-R831 PolarHBondContact O-N 2.76Å; R826-D832 PolarHBondContact O-N 2.88Å; R826-A836 HydrophobicContact CB-CB 3.82Å
827	L	89.9	Confident	90.9	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-71.8	-45.3	178.7	179.1	66.1	0	0	0	113.7	L778 S823 R825 R831 P833 I945 I949	L778-L827 HydrophobicContact CD2-CD2 4.16Å; S823-L827 WeakPolarHBondContact O-CB 3.08Å; S823-L827 PolarHBondContact O-N 2.71Å; R825-L827 VanDerWaalsContact C-N 3.28Å; R825-L827 PolarHBondContact O-N 3.36Å; L827-R831 WeakPolarHBondContact O-CA 3.22Å; L827-P833 HydrophobicContact CD1-CG 4.38Å; L827-I945 HydrophobicContact CD2-CG2 4.47Å; L827-I949 HydrophobicContact CD1-CD1 3.65Å; L827-I949 HydrophobicContact CD1-CG1 4.48Å; L827-I949 HydrophobicContact CD2-CD1 3.41Å; L827-I949 VanDerWaalsContact CD2-CD1 3.41Å; L827-I949 HydrophobicContact CG-CD1 4.17Å
828	L	91.6	Very high	90.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-95.2	-29.7	-168.8	-57.3	175.5	0	0	0	113.4	Y593 P776 L778 A786 L788 M800 L824 R825	Y593-L828 HydrophobicContact CE2-CD2 4.03Å; P776-L828 VanDerWaalsContact CD-O 3.28Å; P776-L828 WeakPolarHBondContact CD-O 3.46Å; P776-L828 HydrophobicContact CG-CB 4.15Å; P776-L828 HydrophobicContact CG-CD2 3.86Å; P776-L828 WeakPolarHBondContact CG-O 3.28Å; L778-L828 HydrophobicContact CB-CD2 4.47Å; A786-L828 HydrophobicContact CB-CD1 4.19Å; L788-L828 VanDerWaalsContact CD1-O 3.28Å; L788-L828 WeakPolarHBondContact CD1-O 3.28Å; L788-L828 HydrophobicContact CD2-CB 4.26Å; L788-L828 HydrophobicContact CG-CB 4.19Å; M800-L828 HydrophobicContact CG-CD1 4.17Å; M800-L828 HydrophobicContact SD-CD1 3.95Å; L824-L828 HydrophobicContact CB-CD1 4.32Å; L824-L828 HydrophobicContact CD2-CD1 4.26Å; L824-L828 WeakPolarHBondContact O-CB 3.24Å; L824-L828 WeakPolarHBondContact O-CG 3.43Å; L824-L828 PolarHBondContact O-N 3.44Å; R825-L828 PolarHBondContact O-N 2.95Å
829	I	92.9	Very high	90.7	Very high	68 Å²	68	44 Å²	44	35%	0.349	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-62.3	178.2	-53	172.8	0	0	0	109.5	L788 R825 R831	L788-I829 HydrophobicContact CD1-CG1 4.03Å; L788-I829 HydrophobicContact CD2-CD1 4.47Å; L788-I829 HydrophobicContact CD2-CG1 3.77Å; L788-I829 HydrophobicContact CG-CG1 4.48Å; R825-I829 HydrophobicContact CB-CD1 4.2Å; R825-I829 HydrophobicContact CG-CD1 4Å; R825-I829 WeakPolarHBondContact O-CA 3.28Å; R825-I829 VanDerWaalsContact O-CB 3.28Å; R825-I829 WeakPolarHBondContact O-CB 3.18Å; R825-I829 PolarHBondContact O-N 3.21Å; I829-R831 VanDerWaalsContact C-N 3.25Å; I829-R831 PolarHBondContact O-N 3.37Å
830	D	91.8	Very high	90.6	Very high	96 Å²	96	43.7 Å²	43.7	51%	0.513	22%	0.219	S	C	.	.	S	Bend	trans	-76.4	-17.3	-172.4	-45	-26.9	0	0	0	112.1	R825 R826 D832	R825-D830 PolarHBondContact O-N 2.85Å; R826-D830 WeakPolarHBondContact CA-OD2 3.3Å; R826-D830 CarbonylContact O-C 3.47Å; R826-D830 WeakPolarHBondContact O-CB 3.28Å; R826-D830 PolarHBondContact O-N 2.92Å; D830-D832 VanDerWaalsContact C-N 3.26Å; D830-D832 HydrophobicContact CB-CB 4.3Å; D830-D832 PolarHBondContact O-N 3.26Å
831	R	87.3	Confident	90.4	Very high	106 Å²	106	46.3 Å²	46.3	40%	0.4	23%	0.231	S	C	.	.			trans	56.9	37.7	-177.3	-60.4	173.2	172.2	-117.6	-12.1	113	D595 R826 L827 I829 P833	D595-R831 IonicContact OD1-CZ 3.54Å; D595-R831 IonicContact OD1-NH1 2.62Å; D595-R831 PolarHBondContact OD1-NH1 3.01Å; D595-R831 IonicContact OD1-NH2 2.77Å; D595-R831 PolarHBondContact OD1-NH2 3.07Å; D595-R831 IonicContact OD2-CZ 3.02Å; D595-R831 IonicContact OD2-NH1 3.85Å; D595-R831 PolarHBondContact OD2-NH1 3.35Å; R826-R831 PolarHBondContact O-N 2.76Å; L827-R831 WeakPolarHBondContact O-CA 3.22Å; I829-R831 VanDerWaalsContact C-N 3.25Å; I829-R831 PolarHBondContact O-N 3.37Å; R831-P833 WeakPolarHBondContact O-CD 3.21Å
832	D	86.5	Confident	90.2	Very high	53 Å²	53	49 Å²	49	28%	0.283	24%	0.244	S	C	.	.			trans	-117.9	87.7	-174	174.6	21.6	0	0	0	111.5	R826 D830 E834 G835 A836	R826-D832 PolarHBondContact O-N 2.88Å; D830-D832 VanDerWaalsContact C-N 3.26Å; D830-D832 HydrophobicContact CB-CB 4.3Å; D830-D832 PolarHBondContact O-N 3.26Å; D832-E834 PolarHBondContact OD1-N 2.93Å; D832-G835 VanDerWaalsContact CG-N 3.34Å; D832-G835 PolarHBondContact OD1-N 2.79Å; D832-G835 VanDerWaalsContact OD2-CA 3.25Å; D832-G835 WeakPolarHBondContact OD2-CA 3.34Å; D832-G835 PolarHBondContact OD2-N 3.39Å; D832-A836 VanDerWaalsContact O-CB 3.31Å; D832-A836 WeakPolarHBondContact O-CB 3.32Å; D832-A836 PolarHBondContact O-N 3.04Å; D832-A836 VanDerWaalsContact O-N 3.11Å
833	P	82.7	Confident	90.2	Very high	31 Å²	31	49.1 Å²	49.1	20%	0.201	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-38.9	174.2	-20.9	33	0	0	0	112.8	L827 R831 A836 V837 I949	L827-P833 HydrophobicContact CD1-CG 4.38Å; R831-P833 WeakPolarHBondContact O-CD 3.21Å; P833-A836 WeakPolarHBondContact O-CB 3.21Å; P833-A836 PolarHBondContact O-N 3.09Å; P833-V837 WeakPolarHBondContact O-CB 3.46Å; P833-V837 WeakPolarHBondContact O-CG2 3.39Å; P833-V837 PolarHBondContact O-N 3.37Å; P833-I949 HydrophobicContact CB-CG2 4.38Å; P833-I949 HydrophobicContact CG-CG2 4.44Å
834	E	84.8	Confident	90.1	Very high	136 Å²	136	49.1 Å²	49.1	64%	0.636	24%	0.242	S	C	*	.	H	α-helix	trans	-62.6	-49.4	-178.1	-78.5	61.4	-147	0	0	111.7	D832 A836 V837 A838	D832-E834 PolarHBondContact OD1-N 2.93Å; E834-A836 VanDerWaalsContact C-N 3.35Å; E834-V837 WeakPolarHBondContact O-CB 3.26Å; E834-V837 PolarHBondContact O-N 3.28Å; E834-A838 WeakPolarHBondContact O-CB 3.3Å; E834-A838 PolarHBondContact O-N 3.31Å
835	G	88.7	Confident	90	Very high	15 Å²	15	50.1 Å²	50.1	16%	0.155	25%	0.249	C	C	.	.	H	α-helix	trans	-69.7	-29.3	173.9	0	0	0	0	0	113.3	D832 H839	D832-G835 VanDerWaalsContact CG-N 3.34Å; D832-G835 PolarHBondContact OD1-N 2.79Å; D832-G835 VanDerWaalsContact OD2-CA 3.25Å; D832-G835 WeakPolarHBondContact OD2-CA 3.34Å; D832-G835 PolarHBondContact OD2-N 3.39Å; G835-H839 WeakPolarHBondContact O-CB 3.32Å; G835-H839 PolarHBondContact O-N 3.34Å
836	A	88.6	Confident	89.8	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-37.3	170.3	0	0	0	0	0	112.4	R826 D832 P833 E834 A840 F946	R826-A836 HydrophobicContact CB-CB 3.82Å; D832-A836 VanDerWaalsContact O-CB 3.31Å; D832-A836 WeakPolarHBondContact O-CB 3.32Å; D832-A836 PolarHBondContact O-N 3.04Å; D832-A836 VanDerWaalsContact O-N 3.11Å; P833-A836 WeakPolarHBondContact O-CB 3.21Å; P833-A836 PolarHBondContact O-N 3.09Å; E834-A836 VanDerWaalsContact C-N 3.35Å; A836-A840 PolarHBondContact O-N 3.37Å; A836-F946 HydrophobicContact CB-CE1 3.95Å; A836-F946 HydrophobicContact CB-CZ 3.91Å
837	V	88.9	Confident	89.7	Confident	14 Å²	14	41.2 Å²	41.2	9%	0.085	22%	0.219	C	C	.	.	H	α-helix	trans	-69.5	-49.9	173	165	0	0	0	0	111	P833 E834 H839 A840 Q841 F946 L950 V958 L959	P833-V837 WeakPolarHBondContact O-CB 3.46Å; P833-V837 WeakPolarHBondContact O-CG2 3.39Å; P833-V837 PolarHBondContact O-N 3.37Å; E834-V837 WeakPolarHBondContact O-CB 3.26Å; E834-V837 PolarHBondContact O-N 3.28Å; V837-H839 VanDerWaalsContact C-N 3.32Å; V837-H839 PolarHBondContact O-N 3.18Å; V837-A840 WeakPolarHBondContact O-CB 3.26Å; V837-A840 PolarHBondContact O-N 2.96Å; V837-Q841 HydrophobicContact CG1-CG 4.36Å; V837-Q841 WeakPolarHBondContact O-CG 3.45Å; V837-Q841 PolarHBondContact O-N 2.82Å; V837-F946 HydrophobicContact CG2-CD1 4.04Å; V837-F946 HydrophobicContact CG2-CE1 3.78Å; V837-F946 HydrophobicContact CG2-CZ 4.49Å; V837-L950 HydrophobicContact CG2-CD1 3.74Å; V837-V958 HydrophobicContact CG1-CG1 3.61Å; V837-L959 HydrophobicContact CB-CD2 4.46Å; V837-L959 HydrophobicContact CG1-CD2 4.02Å; V837-L959 HydrophobicContact CG2-CD2 4.4Å
838	A	90.1	Very high	89.6	Confident	51 Å²	51	41 Å²	41	42%	0.421	22%	0.218	S	C	.	.	H	α-helix	trans	-58.9	-43	-179.6	0	0	0	0	0	111.7	E834 A840 Q841 D842	E834-A838 WeakPolarHBondContact O-CB 3.3Å; E834-A838 PolarHBondContact O-N 3.31Å; A838-A840 VanDerWaalsContact C-N 3.34Å; A838-A840 PolarHBondContact O-N 3.32Å; A838-Q841 PolarHBondContact O-N 2.95Å; A838-D842 PolarHBondContact O-N 3.41Å
839	H	92.2	Very high	89.3	Confident	53 Å²	53	42.1 Å²	42.1	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-61.8	-38.1	173.7	179.1	-91.3	0	0	0	112.9	L819 A822 G835 V837 V843	L819-H839 WeakPolarHBondContact CD1-ND1 3.21Å; A822-H839 VanDerWaalsContact CB-CE1 3.44Å; A822-H839 WeakPolarHBondContact CB-CE1 3.17Å; G835-H839 WeakPolarHBondContact O-CB 3.32Å; G835-H839 PolarHBondContact O-N 3.34Å; V837-H839 VanDerWaalsContact C-N 3.32Å; V837-H839 PolarHBondContact O-N 3.18Å; H839-V843 WeakPolarHBondContact O-CG2 3.28Å; H839-V843 PolarHBondContact O-N 2.7Å; H839-V843 VanDerWaalsContact O-N 3.14Å
840	A	91.4	Very high	88.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-70.2	-36	175.1	0	0	0	0	0	112.5	L819 A836 V837 A838 I844 L942 F946 L959	L819-A840 HydrophobicContact CD1-CB 4.28Å; A836-A840 PolarHBondContact O-N 3.37Å; V837-A840 WeakPolarHBondContact O-CB 3.26Å; V837-A840 PolarHBondContact O-N 2.96Å; A838-A840 VanDerWaalsContact C-N 3.34Å; A838-A840 PolarHBondContact O-N 3.32Å; A840-I844 WeakPolarHBondContact O-CB 3.46Å; A840-I844 WeakPolarHBondContact O-CD1 3.48Å; A840-I844 VanDerWaalsContact O-CG1 3.23Å; A840-I844 WeakPolarHBondContact O-CG1 3.39Å; A840-I844 PolarHBondContact O-N 3.02Å; A840-I844 VanDerWaalsContact O-N 3.11Å; A840-L942 HydrophobicContact CB-CD2 4.26Å; A840-F946 HydrophobicContact CB-CE2 4.5Å; A840-L959 HydrophobicContact CB-CD2 3.93Å
841	Q	90.1	Very high	88.5	Confident	56 Å²	56	42.7 Å²	42.7	26%	0.262	22%	0.219	S	C	.	.	H	α-helix	trans	-65.7	-42.6	174.1	-69.8	-179.3	-29.6	0	0	111.8	V837 A838 I844 S845 V958 L959 H964	V837-Q841 HydrophobicContact CG1-CG 4.36Å; V837-Q841 WeakPolarHBondContact O-CG 3.45Å; V837-Q841 PolarHBondContact O-N 2.82Å; A838-Q841 PolarHBondContact O-N 2.95Å; Q841-I844 PolarHBondContact O-N 2.94Å; Q841-S845 PolarHBondContact O-N 3.09Å; Q841-V958 PolarHBondContact NE2-O 2.91Å; Q841-L959 HydrophobicContact CG-CD2 4.38Å; Q841-H964 HydrophobicContact CB-CB 4.3Å; Q841-H964 PolarHBondContact O-CD2 3.25Å; Q841-H964 VanDerWaalsContact O-CD2 3.27Å
842	D	90.8	Very high	88.5	Confident	92 Å²	92	39.1 Å²	39.1	49%	0.492	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-49.4	177.4	-172.3	49.5	0	0	0	111.7	A838 I844 S845 D846	A838-D842 PolarHBondContact O-N 3.41Å; D842-I844 VanDerWaalsContact C-N 3.27Å; D842-I844 PolarHBondContact O-N 3.09Å; D842-S845 CarbonylContact O-C 3.58Å; D842-S845 WeakPolarHBondContact O-CA 3.36Å; D842-S845 WeakPolarHBondContact O-CB 3.39Å; D842-S845 PolarHBondContact O-N 3.19Å; D842-D846 PolarHBondContact O-N 3.08Å
843	V	92.9	Very high	88.4	Confident	24 Å²	24	37.5 Å²	37.5	15%	0.145	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-33	176.3	172.4	0	0	0	0	112.6	L815 L819 H839 L847	L815-V843 HydrophobicContact CD1-CG1 4.34Å; L815-V843 HydrophobicContact CD2-CG1 3.99Å; L815-V843 HydrophobicContact CG-CG1 4.27Å; L819-V843 HydrophobicContact CD1-CB 4.4Å; L819-V843 HydrophobicContact CD1-CG2 4.3Å; L819-V843 HydrophobicContact CD2-CB 4.39Å; L819-V843 HydrophobicContact CD2-CG1 4.04Å; H839-V843 WeakPolarHBondContact O-CG2 3.28Å; H839-V843 PolarHBondContact O-N 2.7Å; H839-V843 VanDerWaalsContact O-N 3.14Å; V843-L847 WeakPolarHBondContact O-CB 3.44Å; V843-L847 PolarHBondContact O-N 2.74Å; V843-L847 VanDerWaalsContact O-N 3.09Å
844	I	92.1	Very high	88.5	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.9	-39.7	173	-73.4	168.4	0	0	0	111.3	A840 Q841 D842 L847 L848 L934 L938 L942 L959 L960 T965	A840-I844 WeakPolarHBondContact O-CB 3.46Å; A840-I844 WeakPolarHBondContact O-CD1 3.48Å; A840-I844 VanDerWaalsContact O-CG1 3.23Å; A840-I844 WeakPolarHBondContact O-CG1 3.39Å; A840-I844 PolarHBondContact O-N 3.02Å; A840-I844 VanDerWaalsContact O-N 3.11Å; Q841-I844 PolarHBondContact O-N 2.94Å; D842-I844 VanDerWaalsContact C-N 3.27Å; D842-I844 PolarHBondContact O-N 3.09Å; I844-L847 PolarHBondContact O-N 3.45Å; I844-L848 HydrophobicContact CG2-CD1 4Å; I844-L848 WeakPolarHBondContact O-CB 3.36Å; I844-L848 WeakPolarHBondContact O-CG 3.35Å; I844-L848 PolarHBondContact O-N 2.88Å; I844-L934 HydrophobicContact CD1-CD1 4.16Å; I844-L934 HydrophobicContact CG1-CD1 4Å; I844-L934 HydrophobicContact CG2-CD1 3.87Å; I844-L938 HydrophobicContact CG1-CD1 4.09Å; I844-L942 HydrophobicContact CD1-CD1 4.04Å; I844-L959 VanDerWaalsContact CD1-O 3.29Å; I844-L959 WeakPolarHBondContact CD1-O 3.38Å; I844-L960 HydrophobicContact CD1-CD2 4.22Å; I844-T965 HydrophobicContact CG2-CG2 3.96Å
845	S	89.6	Confident	88.5	Confident	21 Å²	21	31.3 Å²	31.3	15%	0.147	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-46.4	175	-162.7	0	0	0	0	111.1	Q841 D842 L847 L848 C849	Q841-S845 PolarHBondContact O-N 3.09Å; D842-S845 CarbonylContact O-C 3.58Å; D842-S845 WeakPolarHBondContact O-CA 3.36Å; D842-S845 WeakPolarHBondContact O-CB 3.39Å; D842-S845 PolarHBondContact O-N 3.19Å; S845-L847 VanDerWaalsContact C-N 3.31Å; S845-L847 PolarHBondContact O-N 2.78Å; S845-L848 CarbonylContact O-C 3.58Å; S845-L848 PolarHBondContact O-N 3.17Å; S845-L848 VanDerWaalsContact O-N 3.15Å; S845-C849 WeakPolarHBondContact O-CB 3.45Å; S845-C849 PolarHBondContact O-N 3.01Å
846	D	90.3	Very high	88.6	Confident	39 Å²	39	33.3 Å²	33.3	21%	0.209	17%	0.174	C	C	.	.	H	α-helix	trans	-55.6	-43.4	174.6	-114.6	34.9	0	0	0	112.7	D842 C849 N850 R851 I852	D842-D846 PolarHBondContact O-N 3.08Å; D846-C849 PolarHBondContact O-N 3.32Å; D846-N850 PolarHBondContact O-N 2.82Å; D846-R851 HydrophobicContact CB-CB 4.39Å; D846-R851 PolarHBondContact O-N 3.31Å; D846-R851 IonicContact OD1-CZ 2.75Å; D846-R851 IonicContact OD1-NE 3.79Å; D846-R851 PolarHBondContact OD1-NE 3.44Å; D846-R851 IonicContact OD1-NH2 2.66Å; D846-R851 PolarHBondContact OD1-NH2 2.81Å; D846-I852 HydrophobicContact CB-CD1 3.86Å; D846-I852 HydrophobicContact CB-CG1 4.13Å
847	L	90.9	Very high	88.8	Confident	6 Å²	6	33.9 Å²	33.9	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-66.4	-41.9	177.1	-177.1	143.6	0	0	0	111.9	L815 V843 I844 S845 C849 N850 I852 L857 T930 L934 L938	L815-L847 HydrophobicContact CD1-CD1 4.18Å; V843-L847 WeakPolarHBondContact O-CB 3.44Å; V843-L847 PolarHBondContact O-N 2.74Å; V843-L847 VanDerWaalsContact O-N 3.09Å; I844-L847 PolarHBondContact O-N 3.45Å; S845-L847 VanDerWaalsContact C-N 3.31Å; S845-L847 PolarHBondContact O-N 2.78Å; L847-C849 VanDerWaalsContact C-N 3.33Å; L847-N850 PolarHBondContact O-N 2.75Å; L847-I852 HydrophobicContact CB-CG1 4.04Å; L847-L857 HydrophobicContact CD1-CD2 4.44Å; L847-T930 HydrophobicContact CD2-CG2 4.37Å; L847-T930 WeakPolarHBondContact CD2-O 3.43Å; L847-T930 WeakPolarHBondContact O-CG2 3.43Å; L847-L934 HydrophobicContact CD2-CB 4.46Å; L847-L938 HydrophobicContact CD1-CD1 3.95Å
848	L	88.5	Confident	88.9	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-75.1	-21.1	178	-70.3	172.6	0	0	0	113.5	I844 S845 L934 T965 K968 T969	I844-L848 HydrophobicContact CG2-CD1 4Å; I844-L848 WeakPolarHBondContact O-CB 3.36Å; I844-L848 WeakPolarHBondContact O-CG 3.35Å; I844-L848 PolarHBondContact O-N 2.88Å; S845-L848 CarbonylContact O-C 3.58Å; S845-L848 PolarHBondContact O-N 3.17Å; S845-L848 VanDerWaalsContact O-N 3.15Å; L848-L934 HydrophobicContact CD1-CD2 4.3Å; L848-L934 HydrophobicContact CD2-CD2 4.3Å; L848-T965 HydrophobicContact CD1-CG2 4.3Å; L848-K968 HydrophobicContact CB-CG 4.34Å; L848-K968 HydrophobicContact CD2-CD 4.12Å; L848-K968 HydrophobicContact CD2-CG 4.37Å; L848-K968 WeakPolarHBondContact O-CA 3.41Å; L848-T969 PolarHBondContact O-N 3.39Å
849	C	84.6	Confident	89	Confident	24 Å²	24	31.6 Å²	31.6	16%	0.162	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	2.3	173.7	-76.1	0	0	0	0	114.3	S845 D846 L847 R851 T969	S845-C849 WeakPolarHBondContact O-CB 3.45Å; S845-C849 PolarHBondContact O-N 3.01Å; D846-C849 PolarHBondContact O-N 3.32Å; L847-C849 VanDerWaalsContact C-N 3.33Å; C849-R851 VanDerWaalsContact C-N 3.28Å; C849-R851 HydrophobicContact CB-CG 3.96Å; C849-R851 PolarHBondContact O-N 2.89Å; C849-T969 WeakPolarHBondContact CA-OG1 3.43Å; C849-T969 WeakPolarHBondContact O-CB 3.37Å; C849-T969 PolarHBondContact O-OG1 3.42Å
850	N	83.6	Confident	88.9	Confident	34 Å²	34	29.6 Å²	29.6	18%	0.182	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	31.5	-174.4	-50	-52.2	0	0	0	114.4	D846 L847 T930 T969 L971	D846-N850 PolarHBondContact O-N 2.82Å; L847-N850 PolarHBondContact O-N 2.75Å; N850-T930 WeakPolarHBondContact OD1-CG2 3.37Å; N850-T969 PolarHBondContact ND2-O 2.71Å; N850-L971 HydrophobicContact CB-CD1 3.98Å
851	R	83.3	Confident	88.8	Confident	141 Å²	141	32.8 Å²	32.8	53%	0.532	16%	0.164	S	C	.	.			trans	-87.1	-17.2	177.9	-58.3	-165.9	-60	-147.2	3.7	113.1	D846 C849	D846-R851 HydrophobicContact CB-CB 4.39Å; D846-R851 PolarHBondContact O-N 3.31Å; D846-R851 IonicContact OD1-CZ 2.75Å; D846-R851 IonicContact OD1-NE 3.79Å; D846-R851 PolarHBondContact OD1-NE 3.44Å; D846-R851 IonicContact OD1-NH2 2.66Å; D846-R851 PolarHBondContact OD1-NH2 2.81Å; C849-R851 VanDerWaalsContact C-N 3.28Å; C849-R851 HydrophobicContact CB-CG 3.96Å; C849-R851 PolarHBondContact O-N 2.89Å
852	I	88	Confident	88.7	Confident	32 Å²	32	32.7 Å²	32.7	16%	0.164	16%	0.163	C	C	.	.	S	Bend	trans	-68.1	136	173.3	-62.7	-59.7	0	0	0	112.2	L815 D846 L847 Q856 L857	L815-I852 HydrophobicContact CD1-CB 4.37Å; L815-I852 HydrophobicContact CD1-CD1 3.74Å; L815-I852 HydrophobicContact CD1-CG1 3.82Å; L815-I852 HydrophobicContact CD1-CG2 3.63Å; D846-I852 HydrophobicContact CB-CD1 3.86Å; D846-I852 HydrophobicContact CB-CG1 4.13Å; L847-I852 HydrophobicContact CB-CG1 4.04Å; I852-Q856 HydrophobicContact CG2-CB 3.93Å; I852-L857 HydrophobicContact CG2-CD1 4.22Å; I852-L857 HydrophobicContact CG2-CD2 3.92Å; I852-L857 HydrophobicContact CG2-CG 3.95Å
853	D	84.6	Confident	88.5	Confident	19 Å²	19	29.1 Å²	29.1	10%	0.102	14%	0.144	C	C	.	.			trans	-75.3	146	173.1	-179.7	70.5	0	0	0	113.1	S855 Q856	D853-S855 VanDerWaalsContact C-N 3.26Å; D853-S855 PolarHBondContact O-N 3Å; D853-S855 WeakPolarHBondContact OD2-CB 3.48Å; D853-S855 PolarHBondContact OD2-N 3.2Å; D853-S855 PolarHBondContact OD2-OG 3.21Å; D853-Q856 WeakPolarHBondContact O-CB 3.48Å; D853-Q856 PolarHBondContact O-N 3.14Å
854	I	85.1	Confident	88	Confident	20 Å²	20	31 Å²	31	10%	0.103	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-60.5	-29.9	-176	-168	168.3	0	0	0	113.4	Q856 L857 V858 V901 P918 V921 Y1056	I854-Q856 PolarHBondContact O-N 2.87Å; I854-L857 WeakPolarHBondContact O-CB 3.44Å; I854-L857 PolarHBondContact O-N 3.12Å; I854-V858 WeakPolarHBondContact O-CG2 3.38Å; I854-V858 PolarHBondContact O-N 2.57Å; I854-V901 HydrophobicContact CD1-CG1 4.4Å; I854-V901 HydrophobicContact CD1-CG2 4.41Å; I854-V901 HydrophobicContact CG1-CG1 3.99Å; I854-P918 HydrophobicContact CD1-CB 4.44Å; I854-V921 HydrophobicContact CD1-CB 4.28Å; I854-V921 HydrophobicContact CD1-CG1 3.75Å; I854-Y1056 HydrophobicContact CG2-CD1 4.26Å; I854-Y1056 HydrophobicContact CG2-CG 3.93Å
855	S	84.6	Confident	87.4	Confident	17 Å²	17	36.4 Å²	36.4	12%	0.119	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-57.4	-35.2	175.5	64	0	0	0	0	112.4	D853 L857	D853-S855 VanDerWaalsContact C-N 3.26Å; D853-S855 PolarHBondContact O-N 3Å; D853-S855 WeakPolarHBondContact OD2-CB 3.48Å; D853-S855 PolarHBondContact OD2-N 3.2Å; D853-S855 PolarHBondContact OD2-OG 3.21Å; S855-L857 PolarHBondContact O-N 2.81Å
856	Q	90.1	Very high	86.8	Confident	56 Å²	56	37.5 Å²	37.5	26%	0.262	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-73.3	-9.7	178.9	-58	-56.7	-59.7	0	0	112.9	C813 P814 L815 N818 I852 D853 I854	C813-Q856 WeakPolarHBondContact CB-O 3.46Å; P814-Q856 WeakPolarHBondContact CD-O 3.33Å; L815-Q856 HydrophobicContact CB-CB 4.1Å; L815-Q856 VanDerWaalsContact CB-O 3.26Å; L815-Q856 WeakPolarHBondContact CB-O 3.47Å; L815-Q856 PolarHBondContact N-O 3.48Å; N818-Q856 PolarHBondContact ND2-OE1 2.8Å; I852-Q856 HydrophobicContact CG2-CB 3.93Å; D853-Q856 WeakPolarHBondContact O-CB 3.48Å; D853-Q856 PolarHBondContact O-N 3.14Å; I854-Q856 PolarHBondContact O-N 2.87Å
857	L	92.8	Very high	86	Confident	12 Å²	12	37.3 Å²	37.3	6%	0.063	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-108.6	-9	-176.7	-56.6	-178.7	0	0	0	113.6	C813 L815 L847 I852 I854 S855 I859 V901 I928 Y933	C813-L857 WeakPolarHBondContact CB-O 3.42Å; L815-L857 HydrophobicContact CD1-CD2 4.23Å; L847-L857 HydrophobicContact CD1-CD2 4.44Å; I852-L857 HydrophobicContact CG2-CD1 4.22Å; I852-L857 HydrophobicContact CG2-CD2 3.92Å; I852-L857 HydrophobicContact CG2-CG 3.95Å; I854-L857 WeakPolarHBondContact O-CB 3.44Å; I854-L857 PolarHBondContact O-N 3.12Å; S855-L857 PolarHBondContact O-N 2.81Å; L857-I859 PolarHBondContact O-N 3.05Å; L857-V901 HydrophobicContact CB-CG1 4.4Å; L857-I928 HydrophobicContact CD1-CG2 4.04Å; L857-Y933 HydrophobicContact CB-CE1 3.93Å; L857-Y933 HydrophobicContact CD2-CD1 3.94Å; L857-Y933 HydrophobicContact CD2-CE1 4.08Å; L857-Y933 HydrophobicContact CD2-CG 4.28Å; L857-Y933 VanDerWaalsContact O-CE1 3.27Å; L857-Y933 WeakPolarHBondContact O-CE1 3.45Å; L857-Y933 PolarHBondContact O-OH 2.89Å
858	V	90.8	Very high	85	Confident	17 Å²	17	41.9 Å²	41.9	10%	0.103	22%	0.222	C	C	.	.			trans	-67.6	119.9	-179.3	-176.5	0	0	0	0	111.7	R470 P814 I854 P899 V901 P918	R470-V858 PolarHBondContact NH2-O 3Å; P814-V858 WeakPolarHBondContact CD-O 3.49Å; I854-V858 WeakPolarHBondContact O-CG2 3.38Å; I854-V858 PolarHBondContact O-N 2.57Å; V858-P899 HydrophobicContact CG1-CB 3.65Å; V858-V901 HydrophobicContact CG2-CG1 4.13Å; V858-P918 HydrophobicContact CG1-CG 4.1Å; V858-P918 HydrophobicContact CG2-CB 4.15Å; V858-P918 HydrophobicContact CG2-CG 3.83Å
859	I	92.6	Very high	84.5	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138.7	173.1	-55.8	172.3	0	0	0	108.5	C813 L857 P899 Y900 Y932 Y933	C813-I859 HydrophobicContact CB-CG1 4.07Å; L857-I859 PolarHBondContact O-N 3.05Å; I859-P899 CarbonylContact O-C 3.59Å; I859-P899 WeakPolarHBondContact O-CA 3.43Å; I859-Y900 HydrophobicContact CB-CD2 4.37Å; I859-Y900 HydrophobicContact CB-CE1 4.2Å; I859-Y900 HydrophobicContact CB-CE2 3.97Å; I859-Y900 HydrophobicContact CD1-CE2 4.17Å; I859-Y900 HydrophobicContact CG2-CE1 3.98Å; I859-Y900 HydrophobicContact CG2-CE2 4.19Å; I859-Y900 PolarHBondContact N-O 3.21Å; I859-Y900 WeakPolarHBondContact O-CD1 3.47Å; I859-Y900 PolarHBondContact O-N 3.24Å; I859-Y932 HydrophobicContact CD1-CE1 4.42Å; I859-Y933 HydrophobicContact CD1-CE1 4.25Å; I859-Y933 HydrophobicContact CG1-CE1 4.49Å
860	T	90.3	Very high	84.4	Confident	11 Å²	11	46.6 Å²	46.6	7%	0.067	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.6	-179.3	49.6	0	0	0	0	111.3	R470 R810 V898 P899	R470-T860 HydrophobicContact CG-CG2 4.2Å; R810-T860 PolarHBondContact O-OG1 3.37Å; T860-V898 WeakPolarHBondContact CA-O 3.28Å; T860-P899 HydrophobicContact CG2-CB 4.4Å
861	K	90	Very high	84.3	Confident	67 Å²	67	50.7 Å²	50.7	29%	0.291	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.3	173.7	-75	-166.3	174.4	-170	0	112.8	H876 R897 V898 Y900	K861-H876 HydrophobicContact CB-CB 3.94Å; K861-R897 CarbonylContact O-C 3.55Å; K861-R897 WeakPolarHBondContact O-CA 3.49Å; K861-V898 PolarHBondContact N-O 2.94Å; K861-V898 VanDerWaalsContact N-O 3.12Å; K861-V898 PolarHBondContact O-N 3.36Å; K861-Y900 HydrophobicContact CB-CE1 4.32Å; K861-Y900 HydrophobicContact CG-CE1 4.28Å
862	E	87.5	Confident	84.4	Confident	54 Å²	54	45.8 Å²	45.8	25%	0.252	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.7	-171.1	-161.2	170.2	121.3	0	0	111.5	T864 Y870 H876 D896 R897	E862-T864 HydrophobicContact CB-CG2 4.44Å; E862-T864 PolarHBondContact O-N 3.41Å; E862-T864 VanDerWaalsContact O-N 3.09Å; E862-Y870 PolarHBondContact O-OH 2.95Å; E862-H876 PolarHBondContact O-NE2 3.38Å; E862-D896 CarbonylContact C-O 3.58Å; E862-D896 VanDerWaalsContact CA-O 3.31Å; E862-D896 WeakPolarHBondContact CA-O 3.47Å; E862-R897 HydrophobicContact CB-CG 4.25Å; E862-R897 HydrophobicContact CG-CG 4.28Å; E862-R897 IonicContact OE2-CZ 3.67Å; E862-R897 VanDerWaalsContact OE2-CZ 3.29Å; E862-R897 IonicContact OE2-NE 2.71Å; E862-R897 PolarHBondContact OE2-NE 2.89Å; E862-R897 VanDerWaalsContact OE2-NE 3.13Å; E862-R897 IonicContact OE2-NH2 2.76Å; E862-R897 PolarHBondContact OE2-NH2 3.2Å
863	L	87.3	Confident	84.5	Confident	17 Å²	17	50.1 Å²	50.1	9%	0.089	29%	0.293	C	S	.	.			trans	-84.3	77	-178.1	-173.7	57.1	0	0	0	110.7	R865 Y870 V877 A880 G895 D896 V898	L863-R865 VanDerWaalsContact C-N 3.27Å; L863-R865 PolarHBondContact O-N 2.94Å; L863-Y870 HydrophobicContact CD1-CE2 4.11Å; L863-V877 HydrophobicContact CD1-CG2 3.91Å; L863-A880 HydrophobicContact CD2-CB 4.03Å; L863-G895 PolarHBondContact O-N 3.05Å; L863-D896 PolarHBondContact N-O 2.92Å; L863-V898 HydrophobicContact CB-CG2 4.35Å
864	T	81.4	Confident	84.8	Confident	62 Å²	62	52.7 Å²	52.7	38%	0.38	30%	0.304	S	S	.	.			trans	-68.8	-11.9	-167.6	62.5	0	0	0	0	116.8	E862 Y870	E862-T864 HydrophobicContact CB-CG2 4.44Å; E862-T864 PolarHBondContact O-N 3.41Å; E862-T864 VanDerWaalsContact O-N 3.09Å; T864-Y870 PolarHBondContact N-OH 2.78Å; T864-Y870 PolarHBondContact OG1-OH 3.41Å; T864-Y870 VanDerWaalsContact OG1-OH 3.09Å
865	R	79.8	Confident	85.1	Confident	115 Å²	115	52.4 Å²	52.4	43%	0.434	30%	0.304	S	S	.	.	S	Bend	trans	-167.5	172.6	-171	62.4	-177.2	78.2	-168.5	-2.7	110.4	L863 D869 Y870	L863-R865 VanDerWaalsContact C-N 3.27Å; L863-R865 PolarHBondContact O-N 2.94Å; R865-D869 HydrophobicContact CB-CB 4.01Å; R865-D869 WeakPolarHBondContact CD-O 3.46Å; R865-D869 HydrophobicContact CG-CB 3.93Å; R865-D869 PolarHBondContact NH1-O 2.98Å; R865-Y870 HydrophobicContact CB-CE2 4.45Å; R865-Y870 HydrophobicContact CG-CD1 4.46Å; R865-Y870 HydrophobicContact CG-CD2 3.39Å; R865-Y870 HydrophobicContact CG-CE1 4.32Å; R865-Y870 HydrophobicContact CG-CE2 3.2Å; R865-Y870 HydrophobicContact CG-CG 4.05Å
866	A	77.4	Confident	85.5	Confident	44 Å²	44	52 Å²	52	36%	0.364	30%	0.301	S	S	.	.			trans	-67	156	173.1	0	0	0	0	0	111.8	S868 D869 Y870	A866-S868 PolarHBondContact O-N 3.35Å; A866-D869 PolarHBondContact N-OD2 3.27Å; A866-D869 WeakPolarHBondContact O-CB 3.46Å; A866-D869 PolarHBondContact O-N 3Å; A866-Y870 WeakPolarHBondContact O-CD2 3.41Å
867	A	72.3	Confident	85.6	Confident	35 Å²	35	49.8 Å²	49.8	29%	0.289	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-60.6	-30.6	-176.7	0	0	0	0	0	113.6	D869 V877 E881	A867-D869 PolarHBondContact O-N 3.3Å; A867-V877 HydrophobicContact CB-CG1 3.48Å; A867-V877 VanDerWaalsContact CB-CG1 3.48Å; A867-E881 HydrophobicContact CB-CG 3.86Å; A867-E881 VanDerWaalsContact CB-OE1 3.24Å; A867-E881 WeakPolarHBondContact CB-OE1 3.44Å
868	S	70.3	Confident	85.6	Confident	101 Å²	101	51.3 Å²	51.3	71%	0.706	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-58.6	-30.9	171.7	44.1	0	0	0	0	114	A866	A866-S868 PolarHBondContact O-N 3.35Å
869	D	79.1	Confident	85.7	Confident	81 Å²	81	50.5 Å²	50.5	43%	0.433	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-94.5	-2.7	-164.8	-49.4	-10.8	0	0	0	111.8	R865 A866 A867	R865-D869 HydrophobicContact CB-CB 4.01Å; R865-D869 WeakPolarHBondContact CD-O 3.46Å; R865-D869 HydrophobicContact CG-CB 3.93Å; R865-D869 PolarHBondContact NH1-O 2.98Å; A866-D869 PolarHBondContact N-OD2 3.27Å; A866-D869 WeakPolarHBondContact O-CB 3.46Å; A866-D869 PolarHBondContact O-N 3Å; A867-D869 PolarHBondContact O-N 3.3Å
870	Y	81.8	Confident	85.7	Confident	43 Å²	43	50.8 Å²	50.8	17%	0.169	30%	0.295	C	S	.	.			trans	-86.7	119.9	174.4	-81.2	-88.8	0	0	0	110.2	E862 L863 T864 R865 A866 G872 Q874 H876 V877	E862-Y870 PolarHBondContact O-OH 2.95Å; L863-Y870 HydrophobicContact CD1-CE2 4.11Å; T864-Y870 PolarHBondContact N-OH 2.78Å; T864-Y870 PolarHBondContact OG1-OH 3.41Å; T864-Y870 VanDerWaalsContact OG1-OH 3.09Å; R865-Y870 HydrophobicContact CB-CE2 4.45Å; R865-Y870 HydrophobicContact CG-CD1 4.46Å; R865-Y870 HydrophobicContact CG-CD2 3.39Å; R865-Y870 HydrophobicContact CG-CE1 4.32Å; R865-Y870 HydrophobicContact CG-CE2 3.2Å; R865-Y870 HydrophobicContact CG-CG 4.05Å; A866-Y870 WeakPolarHBondContact O-CD2 3.41Å; Y870-G872 PolarHBondContact O-N 3.09Å; Y870-Q874 HydrophobicContact CD1-CG 4.07Å; Y870-Q874 HydrophobicContact CE1-CG 4.34Å; Y870-H876 PolarHBondContact OH-NE2 2.77Å; Y870-V877 HydrophobicContact CD1-CG2 4.42Å; Y870-V877 HydrophobicContact CD2-CG1 4.27Å; Y870-V877 HydrophobicContact CD2-CG2 3.74Å; Y870-V877 HydrophobicContact CE1-CG2 4.15Å; Y870-V877 HydrophobicContact CE2-CG1 4.5Å; Y870-V877 HydrophobicContact CE2-CG2 3.42Å; Y870-V877 VanDerWaalsContact CE2-CG2 3.42Å; Y870-V877 HydrophobicContact CG-CG2 4.23Å
871	A	81.6	Confident	85.6	Confident	120 Å²	120	52.4 Å²	52.4	99%	0.992	30%	0.302	S	S	*	.	S	Bend	trans	-64.2	2.3	178.8	0	0	0	0	0	115.5
872	G	85.9	Confident	85.7	Confident	38 Å²	38	52.7 Å²	52.7	39%	0.392	30%	0.301	S	S	.	.	S	Bend	trans	-175.8	139.5	176.1	0	0	0	0	0	112.3	Y870 Q874	Y870-G872 PolarHBondContact O-N 3.09Å; G872-Q874 WeakPolarHBondContact O-CG 3.39Å; G872-Q874 PolarHBondContact O-NE2 2.89Å; G872-Q874 VanDerWaalsContact O-NE2 3.09Å
873	K	89	Confident	85.7	Confident	123 Å²	123	50.4 Å²	50.4	54%	0.535	29%	0.291	S	S	.	.			trans	-52.2	132.6	-173.1	-66.9	179.1	163.5	-87	0	113.1	E878 Y912	K873-E878 HydrophobicContact CB-CG 4.48Å; K873-E878 VanDerWaalsContact CD-OE1 3.22Å; K873-E878 WeakPolarHBondContact CD-OE1 3.41Å; K873-E878 WeakPolarHBondContact CE-OE1 3.21Å; K873-E878 WeakPolarHBondContact CG-OE1 3.27Å; K873-E878 IonicContact NZ-OE1 3.29Å; K873-E878 PolarHBondContact NZ-OE1 3.05Å; K873-E878 IonicContact NZ-OE2 3.3Å; K873-Y912 HydrophobicContact CB-CD1 4.06Å; K873-Y912 HydrophobicContact CB-CD2 4.26Å; K873-Y912 HydrophobicContact CB-CE1 4.06Å; K873-Y912 HydrophobicContact CB-CE2 4.26Å; K873-Y912 HydrophobicContact CB-CG 4.18Å; K873-Y912 HydrophobicContact CD-CD2 4.45Å; K873-Y912 HydrophobicContact CD-CE2 3.8Å
874	Q	90.8	Very high	85.7	Confident	73 Å²	73	55.5 Å²	55.5	34%	0.341	31%	0.309	S	S	.	.			trans	-126.5	145.2	-178.6	-60.1	-59.9	-52.5	0	0	111.4	Y870 G872 H876 V877 E878	Y870-Q874 HydrophobicContact CD1-CG 4.07Å; Y870-Q874 HydrophobicContact CE1-CG 4.34Å; G872-Q874 WeakPolarHBondContact O-CG 3.39Å; G872-Q874 PolarHBondContact O-NE2 2.89Å; G872-Q874 VanDerWaalsContact O-NE2 3.09Å; Q874-H876 VanDerWaalsContact CB-CE1 3.48Å; Q874-H876 WeakPolarHBondContact CB-CE1 3.44Å; Q874-H876 PolarHBondContact O-N 3.47Å; Q874-V877 HydrophobicContact CB-CB 4.21Å; Q874-V877 HydrophobicContact CB-CG2 3.86Å; Q874-V877 HydrophobicContact CG-CG2 4.45Å; Q874-V877 PolarHBondContact O-N 3Å; Q874-V877 VanDerWaalsContact O-N 3.14Å; Q874-E878 WeakPolarHBondContact O-CG 3.46Å; Q874-E878 PolarHBondContact O-N 2.67Å
875	A	92.7	Very high	86	Confident	13 Å²	13	61 Å²	61	11%	0.107	33%	0.327	C	S	.	.	H	α-helix	trans	-50.1	-60.4	179.1	0	0	0	0	0	114	V877 E878 L879 Y900 S915	A875-V877 PolarHBondContact O-N 3.43Å; A875-E878 PolarHBondContact O-N 2.96Å; A875-L879 WeakPolarHBondContact O-CB 3.2Å; A875-L879 PolarHBondContact O-N 3.41Å; A875-Y900 HydrophobicContact CB-CE2 3.96Å; A875-S915 WeakPolarHBondContact CA-OG 3.4Å; A875-S915 PolarHBondContact O-OG 2.9Å; A875-S915 VanDerWaalsContact O-OG 3.11Å
876	H	92.3	Very high	86.2	Confident	10 Å²	10	60 Å²	60	5%	0.046	32%	0.324	C	S	.	.	H	α-helix	trans	-56.1	-32.6	177.9	59.8	-66.2	0	0	0	114.6	K861 E862 Y870 Q874 A880 V898 Y900	K861-H876 HydrophobicContact CB-CB 3.94Å; E862-H876 PolarHBondContact O-NE2 3.38Å; Y870-H876 PolarHBondContact OH-NE2 2.77Å; Q874-H876 VanDerWaalsContact CB-CE1 3.48Å; Q874-H876 WeakPolarHBondContact CB-CE1 3.44Å; Q874-H876 PolarHBondContact O-N 3.47Å; H876-A880 WeakPolarHBondContact O-CB 3.47Å; H876-A880 PolarHBondContact O-N 3.3Å; H876-V898 HydrophobicContact CB-CB 3.97Å; H876-V898 HydrophobicContact CB-CG1 4.35Å; H876-V898 HydrophobicContact CB-CG2 4.24Å; H876-Y900 HydrophobicContact CB-CD1 4.28Å; H876-Y900 HydrophobicContact CB-CE1 4.07Å
877	V	92.8	Very high	86	Confident	9 Å²	9	59.3 Å²	59.3	6%	0.055	31%	0.314	C	S	.	.	H	α-helix	trans	-75.5	-49.9	179.2	-179.2	0	0	0	0	110.5	L863 A867 Y870 Q874 A875 L879 A880 E881	L863-V877 HydrophobicContact CD1-CG2 3.91Å; A867-V877 HydrophobicContact CB-CG1 3.48Å; A867-V877 VanDerWaalsContact CB-CG1 3.48Å; Y870-V877 HydrophobicContact CD1-CG2 4.42Å; Y870-V877 HydrophobicContact CD2-CG1 4.27Å; Y870-V877 HydrophobicContact CD2-CG2 3.74Å; Y870-V877 HydrophobicContact CE1-CG2 4.15Å; Y870-V877 HydrophobicContact CE2-CG1 4.5Å; Y870-V877 HydrophobicContact CE2-CG2 3.42Å; Y870-V877 VanDerWaalsContact CE2-CG2 3.42Å; Y870-V877 HydrophobicContact CG-CG2 4.23Å; Q874-V877 HydrophobicContact CB-CB 4.21Å; Q874-V877 HydrophobicContact CB-CG2 3.86Å; Q874-V877 HydrophobicContact CG-CG2 4.45Å; Q874-V877 PolarHBondContact O-N 3Å; Q874-V877 VanDerWaalsContact O-N 3.14Å; A875-V877 PolarHBondContact O-N 3.43Å; V877-L879 PolarHBondContact O-N 3.48Å; V877-A880 PolarHBondContact O-N 2.99Å; V877-E881 WeakPolarHBondContact O-CG 2.93Å; V877-E881 PolarHBondContact O-N 3.37Å
878	E	92.9	Very high	86.1	Confident	44 Å²	44	62.3 Å²	62.3	21%	0.206	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-27.5	176.4	-64.8	-75.8	176.9	0	0	112.3	K873 Q874 A875 R882 Y912	K873-E878 HydrophobicContact CB-CG 4.48Å; K873-E878 VanDerWaalsContact CD-OE1 3.22Å; K873-E878 WeakPolarHBondContact CD-OE1 3.41Å; K873-E878 WeakPolarHBondContact CE-OE1 3.21Å; K873-E878 WeakPolarHBondContact CG-OE1 3.27Å; K873-E878 IonicContact NZ-OE1 3.29Å; K873-E878 PolarHBondContact NZ-OE1 3.05Å; K873-E878 IonicContact NZ-OE2 3.3Å; Q874-E878 WeakPolarHBondContact O-CG 3.46Å; Q874-E878 PolarHBondContact O-N 2.67Å; A875-E878 PolarHBondContact O-N 2.96Å; E878-R882 WeakPolarHBondContact O-CB 3.47Å; E878-R882 PolarHBondContact O-N 2.94Å; E878-Y912 HydrophobicContact CG-CD2 3.99Å; E878-Y912 HydrophobicContact CG-CG 4.4Å
879	L	93.3	Very high	85.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-73.8	-48.2	170.4	-177.6	58.3	0	0	0	111.9	A875 V877 E881 R882 M883 V898	A875-L879 WeakPolarHBondContact O-CB 3.2Å; A875-L879 PolarHBondContact O-N 3.41Å; V877-L879 PolarHBondContact O-N 3.48Å; L879-E881 VanDerWaalsContact C-N 3.3Å; L879-E881 PolarHBondContact O-N 3.33Å; L879-R882 CarbonylContact O-C 3.58Å; L879-R882 WeakPolarHBondContact O-CA 3.16Å; L879-R882 WeakPolarHBondContact O-CB 3.46Å; L879-R882 PolarHBondContact O-N 3.49Å; L879-M883 HydrophobicContact CD1-CG 4.03Å; L879-M883 HydrophobicContact CD1-SD 4.38Å; L879-M883 HydrophobicContact CD2-SD 4.41Å; L879-M883 HydrophobicContact CG-CG 4.16Å; L879-M883 HydrophobicContact CG-SD 3.97Å; L879-M883 WeakPolarHBondContact O-CG 3.42Å; L879-M883 PolarHBondContact O-N 3.23Å; L879-V898 HydrophobicContact CD2-CG1 4.17Å
880	A	90.9	Very high	85.4	Confident	6 Å²	6	56.2 Å²	56.2	5%	0.05	30%	0.297	C	S	.	.	H	α-helix	trans	-58.1	-42.5	179	0	0	0	0	0	111.8	L863 H876 V877 R882 M883 R884 V898	L863-A880 HydrophobicContact CD2-CB 4.03Å; H876-A880 WeakPolarHBondContact O-CB 3.47Å; H876-A880 PolarHBondContact O-N 3.3Å; V877-A880 PolarHBondContact O-N 2.99Å; A880-R882 VanDerWaalsContact C-N 3.31Å; A880-R882 PolarHBondContact O-N 3.42Å; A880-M883 PolarHBondContact O-N 3.08Å; A880-R884 WeakPolarHBondContact O-CB 3.35Å; A880-R884 PolarHBondContact O-N 2.88Å; A880-V898 HydrophobicContact CB-CG2 4.45Å
881	E	89.5	Confident	85.3	Confident	46 Å²	46	55.1 Å²	55.1	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-30	173.7	-67	-59.8	156.3	0	0	113.5	A867 V877 L879 R884 K885	A867-E881 HydrophobicContact CB-CG 3.86Å; A867-E881 VanDerWaalsContact CB-OE1 3.24Å; A867-E881 WeakPolarHBondContact CB-OE1 3.44Å; V877-E881 WeakPolarHBondContact O-CG 2.93Å; V877-E881 PolarHBondContact O-N 3.37Å; L879-E881 VanDerWaalsContact C-N 3.3Å; L879-E881 PolarHBondContact O-N 3.33Å; E881-R884 IonicContact OE1-CZ 3.32Å; E881-R884 IonicContact OE1-NH2 2.69Å; E881-R884 PolarHBondContact OE1-NH2 2.85Å; E881-R884 IonicContact OE2-CZ 3.89Å; E881-R884 IonicContact OE2-NE 3.12Å; E881-R884 IonicContact OE2-NH2 3.97Å; E881-R884 PolarHBondContact OE2-NH2 3.2Å; E881-K885 WeakPolarHBondContact O-CD 3.46Å; E881-K885 VanDerWaalsContact O-CG 3.28Å; E881-K885 WeakPolarHBondContact O-CG 3.39Å; E881-K885 PolarHBondContact O-N 2.96Å
882	R	91.1	Very high	85.3	Confident	73 Å²	73	50.4 Å²	50.4	28%	0.275	26%	0.256	S	S	.	.	H	α-helix	trans	-77.5	-41.1	175.3	-167.1	-169	-44.7	147.4	14.2	112	E878 L879 A880 K885 R886 S915 E916	E878-R882 WeakPolarHBondContact O-CB 3.47Å; E878-R882 PolarHBondContact O-N 2.94Å; L879-R882 CarbonylContact O-C 3.58Å; L879-R882 WeakPolarHBondContact O-CA 3.16Å; L879-R882 WeakPolarHBondContact O-CB 3.46Å; L879-R882 PolarHBondContact O-N 3.49Å; A880-R882 VanDerWaalsContact C-N 3.31Å; A880-R882 PolarHBondContact O-N 3.42Å; R882-K885 PolarHBondContact O-N 3.3Å; R882-R886 WeakPolarHBondContact O-CB 3.38Å; R882-R886 PolarHBondContact O-N 3.43Å; R882-S915 PolarHBondContact NH1-O 3.02Å; R882-S915 PolarHBondContact NH2-O 3.28Å; R882-E916 IonicContact CZ-OE2 3.36Å; R882-E916 IonicContact NH1-OE2 3.96Å; R882-E916 PolarHBondContact NH1-OE2 3.37Å
883	M	88.7	Confident	84.9	Confident	6 Å²	6	52.3 Å²	52.3	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-56.9	-52	172.2	-69.7	177.4	78.4	0	0	109.2	L879 A880 K885 R886 D887 S890 P892	L879-M883 HydrophobicContact CD1-CG 4.03Å; L879-M883 HydrophobicContact CD1-SD 4.38Å; L879-M883 HydrophobicContact CD2-SD 4.41Å; L879-M883 HydrophobicContact CG-CG 4.16Å; L879-M883 HydrophobicContact CG-SD 3.97Å; L879-M883 WeakPolarHBondContact O-CG 3.42Å; L879-M883 PolarHBondContact O-N 3.23Å; A880-M883 PolarHBondContact O-N 3.08Å; M883-K885 PolarHBondContact O-N 3.02Å; M883-R886 WeakPolarHBondContact O-CA 3.35Å; M883-R886 PolarHBondContact O-N 2.86Å; M883-D887 CarbonylContact C-O 3.59Å; M883-D887 CarbonylContact O-C 3.55Å; M883-D887 PolarHBondContact O-N 2.87Å; M883-S890 VanDerWaalsContact CE-O 3.3Å; M883-S890 WeakPolarHBondContact CE-O 3.3Å; M883-P892 HydrophobicContact SD-CG 4.27Å
884	R	85.8	Confident	84.4	Confident	124 Å²	124	49.4 Å²	49.4	47%	0.468	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-19.9	178.7	-161.5	163.4	61.2	-167	0.2	115.3	A880 E881 A891	A880-R884 WeakPolarHBondContact O-CB 3.35Å; A880-R884 PolarHBondContact O-N 2.88Å; E881-R884 IonicContact OE1-CZ 3.32Å; E881-R884 IonicContact OE1-NH2 2.69Å; E881-R884 PolarHBondContact OE1-NH2 2.85Å; E881-R884 IonicContact OE2-CZ 3.89Å; E881-R884 IonicContact OE2-NE 3.12Å; E881-R884 IonicContact OE2-NH2 3.97Å; E881-R884 PolarHBondContact OE2-NH2 3.2Å; R884-A891 HydrophobicContact CB-CB 3.63Å; R884-A891 HydrophobicContact CG-CB 3.91Å
885	K	87.6	Confident	83.5	Confident	176 Å²	176	46.5 Å²	46.5	77%	0.765	24%	0.243	S	C	*	.	H	α-helix	trans	-90.7	-23.5	172.2	-72	171.4	-174.8	177.9	0	113.9	E881 R882 M883	E881-K885 WeakPolarHBondContact O-CD 3.46Å; E881-K885 VanDerWaalsContact O-CG 3.28Å; E881-K885 WeakPolarHBondContact O-CG 3.39Å; E881-K885 PolarHBondContact O-N 2.96Å; R882-K885 PolarHBondContact O-N 3.3Å; M883-K885 PolarHBondContact O-N 3.02Å
886	R	84.2	Confident	82.8	Confident	96 Å²	96	49.6 Å²	49.6	36%	0.362	26%	0.258	S	S	.	.	H	α-helix	trans	-83.7	-43.2	176.8	175.9	170.6	68	-149.3	1.6	111.2	R882 M883 E916 F920	R882-R886 WeakPolarHBondContact O-CB 3.38Å; R882-R886 PolarHBondContact O-N 3.43Å; M883-R886 WeakPolarHBondContact O-CA 3.35Å; M883-R886 PolarHBondContact O-N 2.86Å; R886-E916 IonicContact CZ-OE1 3.24Å; R886-E916 IonicContact NH1-OE1 3.46Å; R886-E916 PolarHBondContact NH1-OE1 3.35Å; R886-E916 IonicContact NH1-OE2 2.91Å; R886-E916 IonicContact NH2-OE1 3.88Å; R886-E916 PolarHBondContact NH2-OE1 3.48Å; R886-F920 VanDerWaalsContact NH1-CD2 3.28Å
887	D	74.1	Confident	82.5	Confident	29 Å²	29	51.6 Å²	51.6	16%	0.155	27%	0.265	C	S	.	.			trans	-158.3	106	179.8	166.7	13	0	0	0	107.1	M883 G889 S890	M883-D887 CarbonylContact C-O 3.59Å; M883-D887 CarbonylContact O-C 3.55Å; M883-D887 PolarHBondContact O-N 2.87Å; D887-G889 PolarHBondContact O-N 3.25Å; D887-G889 WeakPolarHBondContact OD1-CA 3.28Å; D887-G889 PolarHBondContact OD1-N 2.86Å; D887-S890 VanDerWaalsContact CG-OG 3.27Å; D887-S890 PolarHBondContact OD1-N 2.94Å; D887-S890 WeakPolarHBondContact OD2-CB 3.21Å; D887-S890 PolarHBondContact OD2-N 3.45Å; D887-S890 PolarHBondContact OD2-OG 3.13Å
888	P	73.8	Confident	82.4	Confident	97 Å²	97	51.1 Å²	51.1	63%	0.63	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-59	-26.2	176.6	-23.7	33.7	0	0	0	113.7	A891	P888-A891 WeakPolarHBondContact O-CB 3.48Å
889	G	66.1	Low	82.2	Confident	20 Å²	20	50.9 Å²	50.9	21%	0.206	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-81.9	-24.2	-172.9	0	0	0	0	0	115.4	D887	D887-G889 PolarHBondContact O-N 3.25Å; D887-G889 WeakPolarHBondContact OD1-CA 3.28Å; D887-G889 PolarHBondContact OD1-N 2.86Å
890	S	68.1	Low	82.2	Confident	34 Å²	34	51.3 Å²	51.3	24%	0.238	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-98.9	14.7	172.2	62.6	0	0	0	0	113.8	M883 D887	M883-S890 VanDerWaalsContact CE-O 3.3Å; M883-S890 WeakPolarHBondContact CE-O 3.3Å; D887-S890 VanDerWaalsContact CG-OG 3.27Å; D887-S890 PolarHBondContact OD1-N 2.94Å; D887-S890 WeakPolarHBondContact OD2-CB 3.21Å; D887-S890 PolarHBondContact OD2-N 3.45Å; D887-S890 PolarHBondContact OD2-OG 3.13Å
891	A	79.4	Confident	82.4	Confident	20 Å²	20	51 Å²	51	17%	0.165	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-82.7	133	-177.4	0	0	0	0	0	113.3	R884 P888	R884-A891 HydrophobicContact CB-CB 3.63Å; R884-A891 HydrophobicContact CG-CB 3.91Å; P888-A891 WeakPolarHBondContact O-CB 3.48Å
892	P	82.3	Confident	82.6	Confident	22 Å²	22	48.9 Å²	48.9	14%	0.143	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-64.8	144.7	174.9	-22.9	34	0	0	0	114.1	M883 D896 V898	M883-P892 HydrophobicContact SD-CG 4.27Å; P892-D896 HydrophobicContact CB-CB 4.17Å; P892-V898 HydrophobicContact CB-CG2 3.87Å; P892-V898 HydrophobicContact CG-CB 4.49Å; P892-V898 HydrophobicContact CG-CG1 4.24Å; P892-V898 HydrophobicContact CG-CG2 3.97Å
893	S	78.4	Confident	82.7	Confident	77 Å²	77	47 Å²	47	54%	0.538	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-97.1	172.2	178.1	-71.2	0	0	0	0	113.5	G895 D896	S893-G895 PolarHBondContact O-N 3.05Å; S893-D896 WeakPolarHBondContact CA-OD2 3.16Å; S893-D896 WeakPolarHBondContact CB-OD2 3.47Å; S893-D896 PolarHBondContact N-OD2 2.57Å; S893-D896 WeakPolarHBondContact O-CB 3.44Å; S893-D896 PolarHBondContact O-N 3.14Å; S893-D896 VanDerWaalsContact O-N 3.12Å
894	L	77.4	Confident	82.8	Confident	62 Å²	62	49.9 Å²	49.9	33%	0.325	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	121.1	179.2	-167.8	165	0	0	0	110.2
895	G	72.7	Confident	82.8	Confident	13 Å²	13	46.1 Å²	46.1	13%	0.134	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	105.2	-18.5	-173.5	0	0	0	0	0	113.9	L863 S893	L863-G895 PolarHBondContact O-N 3.05Å; S893-G895 PolarHBondContact O-N 3.05Å
896	D	78.3	Confident	82.6	Confident	77 Å²	77	41.1 Å²	41.1	41%	0.412	26%	0.257	S	S	.	.			trans	-73.2	160.5	-178	-68.8	-20.4	0	0	0	113.1	E862 L863 P892 S893	E862-D896 CarbonylContact C-O 3.58Å; E862-D896 VanDerWaalsContact CA-O 3.31Å; E862-D896 WeakPolarHBondContact CA-O 3.47Å; L863-D896 PolarHBondContact N-O 2.92Å; P892-D896 HydrophobicContact CB-CB 4.17Å; S893-D896 WeakPolarHBondContact CA-OD2 3.16Å; S893-D896 WeakPolarHBondContact CB-OD2 3.47Å; S893-D896 PolarHBondContact N-OD2 2.57Å; S893-D896 WeakPolarHBondContact O-CB 3.44Å; S893-D896 PolarHBondContact O-N 3.14Å; S893-D896 VanDerWaalsContact O-N 3.12Å
897	R	85.9	Confident	82.3	Confident	52 Å²	52	47.1 Å²	47.1	20%	0.196	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	101.6	174.6	-72.4	-177.2	156.6	-93.5	-14.5	110.5	R470 K861 E862 P899	R470-R897 WeakPolarHBondContact O-CD 3.32Å; K861-R897 CarbonylContact O-C 3.55Å; K861-R897 WeakPolarHBondContact O-CA 3.49Å; E862-R897 HydrophobicContact CB-CG 4.25Å; E862-R897 HydrophobicContact CG-CG 4.28Å; E862-R897 IonicContact OE2-CZ 3.67Å; E862-R897 VanDerWaalsContact OE2-CZ 3.29Å; E862-R897 IonicContact OE2-NE 2.71Å; E862-R897 PolarHBondContact OE2-NE 2.89Å; E862-R897 VanDerWaalsContact OE2-NE 3.13Å; E862-R897 IonicContact OE2-NH2 2.76Å; E862-R897 PolarHBondContact OE2-NH2 3.2Å; R897-P899 VanDerWaalsContact O-CD 3.29Å; R897-P899 WeakPolarHBondContact O-CD 3.26Å
898	V	89.3	Confident	82.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	117.6	177.9	-170.9	0	0	0	0	109.8	T860 K861 L863 H876 L879 A880 P892	T860-V898 WeakPolarHBondContact CA-O 3.28Å; K861-V898 PolarHBondContact N-O 2.94Å; K861-V898 VanDerWaalsContact N-O 3.12Å; K861-V898 PolarHBondContact O-N 3.36Å; L863-V898 HydrophobicContact CB-CG2 4.35Å; H876-V898 HydrophobicContact CB-CB 3.97Å; H876-V898 HydrophobicContact CB-CG1 4.35Å; H876-V898 HydrophobicContact CB-CG2 4.24Å; L879-V898 HydrophobicContact CD2-CG1 4.17Å; A880-V898 HydrophobicContact CB-CG2 4.45Å; P892-V898 HydrophobicContact CB-CG2 3.87Å; P892-V898 HydrophobicContact CG-CB 4.49Å; P892-V898 HydrophobicContact CG-CG1 4.24Å; P892-V898 HydrophobicContact CG-CG2 3.97Å
899	P	89.9	Confident	83.1	Confident	38 Å²	38	47.8 Å²	47.8	25%	0.247	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	139.7	168.5	33.7	-32	0	0	0	110.3	V858 I859 T860 R897 P918	V858-P899 HydrophobicContact CG1-CB 3.65Å; I859-P899 CarbonylContact O-C 3.59Å; I859-P899 WeakPolarHBondContact O-CA 3.43Å; T860-P899 HydrophobicContact CG2-CB 4.4Å; R897-P899 VanDerWaalsContact O-CD 3.29Å; R897-P899 WeakPolarHBondContact O-CD 3.26Å; P899-P918 HydrophobicContact CB-CG 4.48Å
900	Y	92.7	Very high	84.2	Confident	9 Å²	9	48.7 Å²	48.7	4%	0.035	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	157.4	174.6	66.3	-89.4	0	0	0	112.5	I859 K861 A875 H876 I902 E916	I859-Y900 HydrophobicContact CB-CD2 4.37Å; I859-Y900 HydrophobicContact CB-CE1 4.2Å; I859-Y900 HydrophobicContact CB-CE2 3.97Å; I859-Y900 HydrophobicContact CD1-CE2 4.17Å; I859-Y900 HydrophobicContact CG2-CE1 3.98Å; I859-Y900 HydrophobicContact CG2-CE2 4.19Å; I859-Y900 PolarHBondContact N-O 3.21Å; I859-Y900 WeakPolarHBondContact O-CD1 3.47Å; I859-Y900 PolarHBondContact O-N 3.24Å; K861-Y900 HydrophobicContact CB-CE1 4.32Å; K861-Y900 HydrophobicContact CG-CE1 4.28Å; A875-Y900 HydrophobicContact CB-CE2 3.96Å; H876-Y900 HydrophobicContact CB-CD1 4.28Å; H876-Y900 HydrophobicContact CB-CE1 4.07Å; Y900-I902 HydrophobicContact CD2-CD1 3.97Å; Y900-I902 HydrophobicContact CE2-CD1 3.86Å; Y900-I902 HydrophobicContact CE2-CG1 4.43Å; Y900-E916 WeakPolarHBondContact CA-O 3.34Å
901	V	94.3	Very high	85.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	163.5	165.4	-65.3	0	0	0	0	110.3	I854 L857 V858 S915 E916 P918 V921 I928 Y933	I854-V901 HydrophobicContact CD1-CG1 4.4Å; I854-V901 HydrophobicContact CD1-CG2 4.41Å; I854-V901 HydrophobicContact CG1-CG1 3.99Å; L857-V901 HydrophobicContact CB-CG1 4.4Å; V858-V901 HydrophobicContact CG2-CG1 4.13Å; V901-S915 WeakPolarHBondContact O-CA 3.38Å; V901-E916 PolarHBondContact N-O 2.98Å; V901-E916 PolarHBondContact O-N 3.26Å; V901-E916 VanDerWaalsContact O-N 3.13Å; V901-P918 HydrophobicContact CG1-CG 4.42Å; V901-V921 HydrophobicContact CG2-CB 4.17Å; V901-V921 HydrophobicContact CG2-CG1 4.17Å; V901-V921 HydrophobicContact CG2-CG2 3.72Å; V901-I928 HydrophobicContact CB-CD1 4.42Å; V901-I928 HydrophobicContact CG2-CD1 4.15Å; V901-Y933 WeakPolarHBondContact CA-OH 3.2Å
902	I	95	Very high	85.7	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.5	175.2	-60.4	-57.4	0	0	0	110.5	Y900 K914 D929 Y932 Y933	Y900-I902 HydrophobicContact CD2-CD1 3.97Å; Y900-I902 HydrophobicContact CE2-CD1 3.86Å; Y900-I902 HydrophobicContact CE2-CG1 4.43Å; I902-K914 WeakPolarHBondContact CA-O 3.22Å; I902-K914 HydrophobicContact CG2-CB 3.99Å; I902-D929 HydrophobicContact CG2-CB 4.12Å; I902-D929 PolarHBondContact O-N 3.4Å; I902-D929 VanDerWaalsContact O-N 3.07Å; I902-Y932 HydrophobicContact CB-CD1 3.85Å; I902-Y932 HydrophobicContact CB-CE1 4.09Å; I902-Y932 HydrophobicContact CB-CG 4.43Å; I902-Y932 HydrophobicContact CG1-CD1 3.88Å; I902-Y932 HydrophobicContact CG1-CE1 3.57Å; I902-Y932 HydrophobicContact CG2-CD1 3.93Å; I902-Y932 HydrophobicContact CG2-CD2 4.48Å; I902-Y932 HydrophobicContact CG2-CE1 4.42Å; I902-Y932 HydrophobicContact CG2-CG 3.98Å; I902-Y933 HydrophobicContact CB-CE2 4.12Å; I902-Y933 PolarHBondContact N-OH 3.27Å
903	I	93.7	Very high	86.1	Confident	34 Å²	34	56.1 Å²	56.1	17%	0.174	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-83.6	156.5	176.2	67.2	171.6	0	0	0	111.9	K914 E916 V921 L926 P927	I903-K914 WeakPolarHBondContact CG1-O 3.43Å; I903-K914 PolarHBondContact N-O 3Å; I903-K914 WeakPolarHBondContact O-CE 3.3Å; I903-E916 HydrophobicContact CG2-CB 4.34Å; I903-V921 HydrophobicContact CG2-CG2 3.64Å; I903-L926 HydrophobicContact CD1-CD1 4.26Å; I903-L926 HydrophobicContact CG2-CB 4.09Å; I903-L926 HydrophobicContact CG2-CD1 4.49Å; I903-P927 CarbonylContact C-O 3.58Å; I903-P927 WeakPolarHBondContact CA-O 3.36Å; I903-P927 WeakPolarHBondContact CB-O 3.32Å
904	S	89.7	Confident	86.9	Confident	65 Å²	65	53.4 Å²	53.4	46%	0.455	32%	0.321	S	S	.	.			trans	-70.9	144.7	173.3	-167.4	0	0	0	0	111.4	P927	S904-P927 PolarHBondContact N-O 2.79Å
905	A	86.5	Confident	87.7	Confident	46 Å²	46	50.5 Å²	50.5	38%	0.38	31%	0.305	S	S	.	.			trans	-156.1	175.8	-179	0	0	0	0	0	109.8	V909 K914	A905-V909 HydrophobicContact CB-CB 4.19Å; A905-V909 HydrophobicContact CB-CG1 4.26Å; A905-V909 HydrophobicContact CB-CG2 4.44Å; A905-K914 HydrophobicContact CB-CD 3.91Å; A905-K914 HydrophobicContact CB-CG 3.86Å
906	A	83.7	Confident	88.7	Confident	71 Å²	71	50.4 Å²	50.4	59%	0.587	30%	0.301	S	S	*	.	S	Bend	trans	-54.5	147.3	176.6	0	0	0	0	0	112.7	G908 V909	A906-G908 PolarHBondContact O-N 3.17Å; A906-V909 HydrophobicContact CB-CG2 3.96Å; A906-V909 WeakPolarHBondContact O-CB 3.26Å; A906-V909 VanDerWaalsContact O-CG2 3.28Å; A906-V909 WeakPolarHBondContact O-CG2 3.46Å; A906-V909 PolarHBondContact O-N 3.06Å; A906-V909 VanDerWaalsContact O-N 3.13Å
907	K	76.1	Confident	89.3	Confident	222 Å²	222	47.1 Å²	47.1	97%	0.965	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	129	-178.4	-173.2	176.6	-180	180	0	110.3
908	G	77.8	Confident	89.4	Confident	81 Å²	81	44.7 Å²	44.7	84%	0.835	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-7.9	-178.2	0	0	0	0	0	115.6	A906 A910	A906-G908 PolarHBondContact O-N 3.17Å; G908-A910 PolarHBondContact O-N 3.22Å
909	V	88.5	Confident	89	Confident	59 Å²	59	46 Å²	46	36%	0.358	28%	0.282	S	S	.	.			trans	-63.5	127.5	174	175	0	0	0	0	110.3	A905 A906 M913 K914	A905-V909 HydrophobicContact CB-CB 4.19Å; A905-V909 HydrophobicContact CB-CG1 4.26Å; A905-V909 HydrophobicContact CB-CG2 4.44Å; A906-V909 HydrophobicContact CB-CG2 3.96Å; A906-V909 WeakPolarHBondContact O-CB 3.26Å; A906-V909 VanDerWaalsContact O-CG2 3.28Å; A906-V909 WeakPolarHBondContact O-CG2 3.46Å; A906-V909 PolarHBondContact O-N 3.06Å; A906-V909 VanDerWaalsContact O-N 3.13Å; V909-M913 HydrophobicContact CG1-CB 3.88Å; V909-K914 HydrophobicContact CB-CD 4.21Å; V909-K914 HydrophobicContact CG1-CD 4.06Å; V909-K914 HydrophobicContact CG1-CG 3.85Å; V909-K914 WeakPolarHBondContact O-CD 3.32Å
910	A	88.4	Confident	88.8	Confident	38 Å²	38	46.8 Å²	46.8	31%	0.314	28%	0.281	S	S	.	.			trans	-62.4	140.7	-175.6	0	0	0	0	0	112.7	G908 Y912 M913	G908-A910 PolarHBondContact O-N 3.22Å; A910-Y912 HydrophobicContact CB-CD1 3.98Å; A910-Y912 HydrophobicContact CB-CE1 3.53Å; A910-Y912 HydrophobicContact CB-CE2 4.37Å; A910-Y912 PolarHBondContact O-N 3.22Å; A910-M913 WeakPolarHBondContact O-CB 3.27Å; A910-M913 PolarHBondContact O-N 2.65Å
911	A	88.9	Confident	88.6	Confident	44 Å²	44	46.6 Å²	46.6	36%	0.364	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-58.9	-26.1	-172.1	0	0	0	0	0	114.9	K914 S915 Y932	A911-K914 PolarHBondContact O-N 2.82Å; A911-S915 PolarHBondContact O-N 2.74Å; A911-Y932 HydrophobicContact CB-CE2 4.42Å
912	Y	90.9	Very high	87.8	Confident	77 Å²	77	48.2 Å²	48.2	30%	0.302	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-71.9	-27.6	176.1	59.7	-103.1	0	0	0	113.5	K873 E878 A910 K914 S915	K873-Y912 HydrophobicContact CB-CD1 4.06Å; K873-Y912 HydrophobicContact CB-CD2 4.26Å; K873-Y912 HydrophobicContact CB-CE1 4.06Å; K873-Y912 HydrophobicContact CB-CE2 4.26Å; K873-Y912 HydrophobicContact CB-CG 4.18Å; K873-Y912 HydrophobicContact CD-CD2 4.45Å; K873-Y912 HydrophobicContact CD-CE2 3.8Å; E878-Y912 HydrophobicContact CG-CD2 3.99Å; E878-Y912 HydrophobicContact CG-CG 4.4Å; A910-Y912 HydrophobicContact CB-CD1 3.98Å; A910-Y912 HydrophobicContact CB-CE1 3.53Å; A910-Y912 HydrophobicContact CB-CE2 4.37Å; A910-Y912 PolarHBondContact O-N 3.22Å; Y912-K914 PolarHBondContact O-N 3.32Å; Y912-S915 PolarHBondContact O-OG 3.36Å; Y912-S915 VanDerWaalsContact O-OG 3.05Å
913	M	90.9	Very high	87.1	Confident	112 Å²	112	53.2 Å²	53.2	55%	0.552	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-74.6	-13.2	172.3	-60.9	-58.7	-66.8	0	0	112.3	V909 A910	V909-M913 HydrophobicContact CG1-CB 3.88Å; A910-M913 WeakPolarHBondContact O-CB 3.27Å; A910-M913 PolarHBondContact O-N 2.65Å
914	K	93.7	Very high	86.5	Confident	20 Å²	20	54.8 Å²	54.8	9%	0.087	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-106.2	1	-173.5	-61.3	173.7	59.9	173.2	0	113.4	I902 I903 A905 V909 A911 Y912 D929	I902-K914 WeakPolarHBondContact CA-O 3.22Å; I902-K914 HydrophobicContact CG2-CB 3.99Å; I903-K914 WeakPolarHBondContact CG1-O 3.43Å; I903-K914 PolarHBondContact N-O 3Å; I903-K914 WeakPolarHBondContact O-CE 3.3Å; A905-K914 HydrophobicContact CB-CD 3.91Å; A905-K914 HydrophobicContact CB-CG 3.86Å; V909-K914 HydrophobicContact CB-CD 4.21Å; V909-K914 HydrophobicContact CG1-CD 4.06Å; V909-K914 HydrophobicContact CG1-CG 3.85Å; V909-K914 WeakPolarHBondContact O-CD 3.32Å; A911-K914 PolarHBondContact O-N 2.82Å; Y912-K914 PolarHBondContact O-N 3.32Å; K914-D929 IonicContact NZ-OD2 3.97Å; K914-D929 PolarHBondContact NZ-OD2 2.97Å
915	S	94.7	Very high	86	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133	172.1	48.9	0	0	0	0	111.2	A875 R882 V901 A911 Y912	A875-S915 WeakPolarHBondContact CA-OG 3.4Å; A875-S915 PolarHBondContact O-OG 2.9Å; A875-S915 VanDerWaalsContact O-OG 3.11Å; R882-S915 PolarHBondContact NH1-O 3.02Å; R882-S915 PolarHBondContact NH2-O 3.28Å; V901-S915 WeakPolarHBondContact O-CA 3.38Å; A911-S915 PolarHBondContact O-N 2.74Å; Y912-S915 PolarHBondContact O-OG 3.36Å; Y912-S915 VanDerWaalsContact O-OG 3.05Å
916	E	94.2	Very high	86	Confident	11 Å²	11	53.8 Å²	53.8	5%	0.051	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	159.2	175.7	-171.3	51.2	-105	0	0	110.7	R882 R886 Y900 V901 I903 F920 V921 L926	R882-E916 IonicContact CZ-OE2 3.36Å; R882-E916 IonicContact NH1-OE2 3.96Å; R882-E916 PolarHBondContact NH1-OE2 3.37Å; R886-E916 IonicContact CZ-OE1 3.24Å; R886-E916 IonicContact NH1-OE1 3.46Å; R886-E916 PolarHBondContact NH1-OE1 3.35Å; R886-E916 IonicContact NH1-OE2 2.91Å; R886-E916 IonicContact NH2-OE1 3.88Å; R886-E916 PolarHBondContact NH2-OE1 3.48Å; Y900-E916 WeakPolarHBondContact CA-O 3.34Å; V901-E916 PolarHBondContact N-O 2.98Å; V901-E916 PolarHBondContact O-N 3.26Å; V901-E916 VanDerWaalsContact O-N 3.13Å; I903-E916 HydrophobicContact CG2-CB 4.34Å; E916-F920 HydrophobicContact CG-CB 4.39Å; E916-F920 HydrophobicContact CG-CD1 3.57Å; E916-F920 HydrophobicContact CG-CE1 4.29Å; E916-F920 HydrophobicContact CG-CG 4.34Å; E916-V921 HydrophobicContact CB-CG2 3.83Å; E916-V921 HydrophobicContact CG-CG2 3.83Å; E916-L926 HydrophobicContact CG-CD1 4.38Å
917	D	90.3	Very high	86.1	Confident	9 Å²	9	52.2 Å²	52.2	5%	0.048	29%	0.29	C	S	.	.			trans	-66.3	138	179.4	169	84.8	0	0	0	111.9	L919 F920 V921	D917-L919 VanDerWaalsContact C-N 3.34Å; D917-L919 PolarHBondContact O-N 3Å; D917-L919 WeakPolarHBondContact OD2-CA 3.36Å; D917-L919 WeakPolarHBondContact OD2-CB 3.21Å; D917-L919 PolarHBondContact OD2-N 3.02Å; D917-F920 HydrophobicContact CB-CB 4.1Å; D917-F920 PolarHBondContact O-N 2.76Å; D917-F920 PolarHBondContact OD2-N 2.68Å; D917-V921 WeakPolarHBondContact O-CG2 3.45Å; D917-V921 PolarHBondContact O-N 2.89Å
918	P	87.8	Confident	86.8	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-33.4	-176.5	-23.3	34.2	0	0	0	115	I854 V858 P899 V901 L922 Y1056	I854-P918 HydrophobicContact CD1-CB 4.44Å; V858-P918 HydrophobicContact CG1-CG 4.1Å; V858-P918 HydrophobicContact CG2-CB 4.15Å; V858-P918 HydrophobicContact CG2-CG 3.83Å; P899-P918 HydrophobicContact CB-CG 4.48Å; V901-P918 HydrophobicContact CG1-CG 4.42Å; P918-L922 PolarHBondContact O-N 3.34Å; P918-Y1056 HydrophobicContact CB-CE1 4.16Å
919	L	81.7	Confident	87.5	Confident	27 Å²	27	40.7 Å²	40.7	14%	0.141	22%	0.219	C	C	.	.	H	α-helix	trans	-73.7	-45.4	178.6	177	60.4	0	0	0	110.2	D917 V921 L922 E923 F1055	D917-L919 VanDerWaalsContact C-N 3.34Å; D917-L919 PolarHBondContact O-N 3Å; D917-L919 WeakPolarHBondContact OD2-CA 3.36Å; D917-L919 WeakPolarHBondContact OD2-CB 3.21Å; D917-L919 PolarHBondContact OD2-N 3.02Å; L919-V921 VanDerWaalsContact C-N 3.3Å; L919-V921 PolarHBondContact O-N 3.13Å; L919-L922 PolarHBondContact O-N 3.11Å; L919-L922 VanDerWaalsContact O-N 3.16Å; L919-E923 HydrophobicContact CD1-CG 4.21Å; L919-E923 WeakPolarHBondContact CD1-OE1 3.41Å; L919-E923 WeakPolarHBondContact O-CG 3.22Å; L919-E923 PolarHBondContact O-N 3.31Å; L919-F1055 HydrophobicContact CD1-CE1 4.1Å; L919-F1055 HydrophobicContact CD1-CZ 4.02Å
920	F	85.9	Confident	87.6	Confident	54 Å²	54	39.3 Å²	39.3	24%	0.237	21%	0.211	C	C	.	.	H	α-helix	trans	-58.5	-41.4	175.6	-171.2	-90.1	0	0	0	112.1	R886 E916 D917 E923 H924 L926	R886-F920 VanDerWaalsContact NH1-CD2 3.28Å; E916-F920 HydrophobicContact CG-CB 4.39Å; E916-F920 HydrophobicContact CG-CD1 3.57Å; E916-F920 HydrophobicContact CG-CE1 4.29Å; E916-F920 HydrophobicContact CG-CG 4.34Å; D917-F920 HydrophobicContact CB-CB 4.1Å; D917-F920 PolarHBondContact O-N 2.76Å; D917-F920 PolarHBondContact OD2-N 2.68Å; F920-E923 PolarHBondContact O-N 3.4Å; F920-H924 AromaticContact CD1-ND1 3.8Å; F920-H924 AromaticContact CD2-CE1 3.5Å; F920-H924 AromaticContact CD2-ND1 3.61Å; F920-H924 AromaticContact CE1-ND1 3.77Å; F920-H924 AromaticContact CE2-CE1 3.21Å; F920-H924 WeakPolarHBondContact CE2-CE1 3.35Å; F920-H924 AromaticContact CE2-ND1 3.57Å; F920-H924 AromaticContact CE2-NE2 3.84Å; F920-H924 AromaticContact CG-ND1 3.73Å; F920-H924 AromaticContact CZ-CE1 3.6Å; F920-H924 AromaticContact CZ-ND1 3.65Å; F920-H924 AromaticContact CZ-NE2 3.94Å; F920-H924 WeakPolarHBondContact O-CB 3.17Å; F920-H924 PolarHBondContact O-N 3.31Å; F920-H924 PolarHBondContact O-ND1 2.62Å; F920-L926 HydrophobicContact CD1-CD1 4.13Å; F920-L926 HydrophobicContact CE1-CD1 4.13Å
921	V	87.8	Confident	87.6	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.03	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-42.9	175.3	164.3	0	0	0	0	112.4	I854 V901 I903 E916 D917 L919 S925 L926 I928	I854-V921 HydrophobicContact CD1-CB 4.28Å; I854-V921 HydrophobicContact CD1-CG1 3.75Å; V901-V921 HydrophobicContact CG2-CB 4.17Å; V901-V921 HydrophobicContact CG2-CG1 4.17Å; V901-V921 HydrophobicContact CG2-CG2 3.72Å; I903-V921 HydrophobicContact CG2-CG2 3.64Å; E916-V921 HydrophobicContact CB-CG2 3.83Å; E916-V921 HydrophobicContact CG-CG2 3.83Å; D917-V921 WeakPolarHBondContact O-CG2 3.45Å; D917-V921 PolarHBondContact O-N 2.89Å; L919-V921 VanDerWaalsContact C-N 3.3Å; L919-V921 PolarHBondContact O-N 3.13Å; V921-S925 WeakPolarHBondContact O-CA 3.44Å; V921-S925 PolarHBondContact O-N 2.73Å; V921-L926 HydrophobicContact CG1-CB 4.25Å; V921-L926 HydrophobicContact CG2-CB 4.37Å; V921-L926 HydrophobicContact CG2-CD1 4.16Å; V921-L926 PolarHBondContact O-N 3.05Å; V921-I928 HydrophobicContact CG1-CD1 3.93Å
922	L	77.9	Confident	87.8	Confident	34 Å²	34	40.9 Å²	40.9	18%	0.178	20%	0.203	C	C	.	.	H	α-helix	trans	-67	-44.5	179.6	-157.6	170	0	0	0	110.6	P918 L919 S925 Y1056 K1059	P918-L922 PolarHBondContact O-N 3.34Å; L919-L922 PolarHBondContact O-N 3.11Å; L919-L922 VanDerWaalsContact O-N 3.16Å; L922-S925 PolarHBondContact O-N 3.07Å; L922-Y1056 HydrophobicContact CD1-CD1 3.86Å; L922-Y1056 HydrophobicContact CD1-CG 4.4Å; L922-K1059 HydrophobicContact CD1-CB 4.23Å; L922-K1059 HydrophobicContact CD1-CD 4.31Å; L922-K1059 HydrophobicContact CD2-CB 4.09Å; L922-K1059 HydrophobicContact CD2-CD 3.72Å; L922-K1059 HydrophobicContact CD2-CG 3.66Å
923	E	79.5	Confident	87.9	Confident	108 Å²	108	37.3 Å²	37.3	51%	0.505	19%	0.189	S	C	.	.	H	α-helix	trans	-67.4	-42.1	-178.3	-71.2	178.5	163.3	0	0	113.1	L919 F920 S925 K1059	L919-E923 HydrophobicContact CD1-CG 4.21Å; L919-E923 WeakPolarHBondContact CD1-OE1 3.41Å; L919-E923 WeakPolarHBondContact O-CG 3.22Å; L919-E923 PolarHBondContact O-N 3.31Å; F920-E923 PolarHBondContact O-N 3.4Å; E923-S925 VanDerWaalsContact C-N 3.3Å; E923-S925 PolarHBondContact O-N 2.88Å; E923-K1059 VanDerWaalsContact CG-NZ 3.33Å; E923-K1059 IonicContact OE1-NZ 3.17Å; E923-K1059 PolarHBondContact OE1-NZ 2.91Å
924	H	82	Confident	87.9	Confident	67 Å²	67	32.3 Å²	32.3	31%	0.31	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	0	178.5	-61.6	81.4	0	0	0	113.1	F920 L926 V975	F920-H924 AromaticContact CD1-ND1 3.8Å; F920-H924 AromaticContact CD2-CE1 3.5Å; F920-H924 AromaticContact CD2-ND1 3.61Å; F920-H924 AromaticContact CE1-ND1 3.77Å; F920-H924 AromaticContact CE2-CE1 3.21Å; F920-H924 WeakPolarHBondContact CE2-CE1 3.35Å; F920-H924 AromaticContact CE2-ND1 3.57Å; F920-H924 AromaticContact CE2-NE2 3.84Å; F920-H924 AromaticContact CG-ND1 3.73Å; F920-H924 AromaticContact CZ-CE1 3.6Å; F920-H924 AromaticContact CZ-ND1 3.65Å; F920-H924 AromaticContact CZ-NE2 3.94Å; F920-H924 WeakPolarHBondContact O-CB 3.17Å; F920-H924 PolarHBondContact O-N 3.31Å; F920-H924 PolarHBondContact O-ND1 2.62Å; H924-L926 VanDerWaalsContact C-N 3.34Å; H924-L926 HydrophobicContact CB-CD1 4.43Å; H924-L926 HydrophobicContact CB-CD2 3.85Å; H924-L926 HydrophobicContact CB-CG 3.88Å; H924-L926 PolarHBondContact O-N 3.4Å; H924-V975 HydrophobicContact CB-CG2 4.16Å
925	S	78.8	Confident	87.7	Confident	52 Å²	52	35.8 Å²	35.8	36%	0.364	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	49.4	-178	-56.6	0	0	0	0	112.6	V921 L922 E923	V921-S925 WeakPolarHBondContact O-CA 3.44Å; V921-S925 PolarHBondContact O-N 2.73Å; L922-S925 PolarHBondContact O-N 3.07Å; E923-S925 VanDerWaalsContact C-N 3.3Å; E923-S925 PolarHBondContact O-N 2.88Å
926	L	86.1	Confident	87.4	Confident	37 Å²	37	39.8 Å²	39.8	19%	0.194	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-78.8	129.4	-176.9	-56.2	-177.4	0	0	0	110.9	I903 E916 F920 V921 H924	I903-L926 HydrophobicContact CD1-CD1 4.26Å; I903-L926 HydrophobicContact CG2-CB 4.09Å; I903-L926 HydrophobicContact CG2-CD1 4.49Å; E916-L926 HydrophobicContact CG-CD1 4.38Å; F920-L926 HydrophobicContact CD1-CD1 4.13Å; F920-L926 HydrophobicContact CE1-CD1 4.13Å; V921-L926 HydrophobicContact CG1-CB 4.25Å; V921-L926 HydrophobicContact CG2-CB 4.37Å; V921-L926 HydrophobicContact CG2-CD1 4.16Å; V921-L926 PolarHBondContact O-N 3.05Å; H924-L926 VanDerWaalsContact C-N 3.34Å; H924-L926 HydrophobicContact CB-CD1 4.43Å; H924-L926 HydrophobicContact CB-CD2 3.85Å; H924-L926 HydrophobicContact CB-CG 3.88Å; H924-L926 PolarHBondContact O-N 3.4Å
927	P	87.1	Confident	87.3	Confident	39 Å²	39	40.4 Å²	40.4	25%	0.253	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-63.6	138	179.9	-24	34.7	0	0	0	112.9	I903 S904 L971	I903-P927 CarbonylContact C-O 3.58Å; I903-P927 WeakPolarHBondContact CA-O 3.36Å; I903-P927 WeakPolarHBondContact CB-O 3.32Å; S904-P927 PolarHBondContact N-O 2.79Å; P927-L971 WeakPolarHBondContact CG-O 3.45Å
928	I	90.9	Very high	87.4	Confident	36 Å²	36	40.1 Å²	40.1	19%	0.185	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-81.8	146.2	176.1	-58.5	-60.2	0	0	0	110.8	L857 V901 V921 T930 Y933	L857-I928 HydrophobicContact CD1-CG2 4.04Å; V901-I928 HydrophobicContact CB-CD1 4.42Å; V901-I928 HydrophobicContact CG2-CD1 4.15Å; V921-I928 HydrophobicContact CG1-CD1 3.93Å; I928-T930 PolarHBondContact O-N 2.78Å; I928-T930 VanDerWaalsContact O-N 3.17Å; I928-Y933 HydrophobicContact CG2-CD2 3.94Å; I928-Y933 HydrophobicContact CG2-CE2 3.75Å
929	D	92.3	Very high	87.5	Confident	24 Å²	24	40.5 Å²	40.5	13%	0.128	20%	0.204	C	C	.	.			trans	-83.5	82.4	171.6	-170.3	-14.3	0	0	0	111.8	I902 K914 Q931 Y932 Y933	I902-D929 HydrophobicContact CG2-CB 4.12Å; I902-D929 PolarHBondContact O-N 3.4Å; I902-D929 VanDerWaalsContact O-N 3.07Å; K914-D929 IonicContact NZ-OD2 3.97Å; K914-D929 PolarHBondContact NZ-OD2 2.97Å; D929-Q931 PolarHBondContact O-N 3.38Å; D929-Q931 PolarHBondContact OD1-N 3.38Å; D929-Y932 VanDerWaalsContact CG-CB 3.41Å; D929-Y932 WeakPolarHBondContact O-CB 3.25Å; D929-Y932 PolarHBondContact O-N 3.48Å; D929-Y932 PolarHBondContact OD1-N 3.12Å; D929-Y932 WeakPolarHBondContact OD2-CB 3.35Å; D929-Y933 WeakPolarHBondContact O-CD2 3.39Å; D929-Y933 PolarHBondContact O-N 2.99Å
930	T	90.8	Very high	87.9	Confident	31 Å²	31	43.9 Å²	43.9	19%	0.19	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-30.6	178.1	54.2	0	0	0	0	113	L847 N850 I928 Y933 L934	L847-T930 HydrophobicContact CD2-CG2 4.37Å; L847-T930 WeakPolarHBondContact CD2-O 3.43Å; L847-T930 WeakPolarHBondContact O-CG2 3.43Å; N850-T930 WeakPolarHBondContact OD1-CG2 3.37Å; I928-T930 PolarHBondContact O-N 2.78Å; I928-T930 VanDerWaalsContact O-N 3.17Å; T930-Y933 PolarHBondContact O-N 2.85Å; T930-L934 WeakPolarHBondContact O-CB 3.48Å; T930-L934 PolarHBondContact O-N 3.28Å
931	Q	87.9	Confident	88.2	Confident	66 Å²	66	41.7 Å²	41.7	31%	0.308	21%	0.209	S	C	.	.	H	α-helix	trans	-71.3	-38.5	178.2	-163.3	70.3	30.6	0	0	111.4	D929 L934 E935	D929-Q931 PolarHBondContact O-N 3.38Å; D929-Q931 PolarHBondContact OD1-N 3.38Å; Q931-L934 PolarHBondContact O-N 3.11Å; Q931-E935 WeakPolarHBondContact CG-OE1 3.32Å; Q931-E935 PolarHBondContact NE2-OE1 3.32Å; Q931-E935 WeakPolarHBondContact O-CB 3.34Å; Q931-E935 WeakPolarHBondContact O-CG 3.49Å; Q931-E935 PolarHBondContact O-N 2.96Å
932	Y	91.9	Very high	88.3	Confident	48 Å²	48	41.6 Å²	41.6	19%	0.188	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-46.3	171.2	172.5	-89.9	0	0	0	112.1	I859 I902 A911 D929 Q936 Q937	I859-Y932 HydrophobicContact CD1-CE1 4.42Å; I902-Y932 HydrophobicContact CB-CD1 3.85Å; I902-Y932 HydrophobicContact CB-CE1 4.09Å; I902-Y932 HydrophobicContact CB-CG 4.43Å; I902-Y932 HydrophobicContact CG1-CD1 3.88Å; I902-Y932 HydrophobicContact CG1-CE1 3.57Å; I902-Y932 HydrophobicContact CG2-CD1 3.93Å; I902-Y932 HydrophobicContact CG2-CD2 4.48Å; I902-Y932 HydrophobicContact CG2-CE1 4.42Å; I902-Y932 HydrophobicContact CG2-CG 3.98Å; A911-Y932 HydrophobicContact CB-CE2 4.42Å; D929-Y932 VanDerWaalsContact CG-CB 3.41Å; D929-Y932 WeakPolarHBondContact O-CB 3.25Å; D929-Y932 PolarHBondContact O-N 3.48Å; D929-Y932 PolarHBondContact OD1-N 3.12Å; D929-Y932 WeakPolarHBondContact OD2-CB 3.35Å; Y932-Q936 HydrophobicContact CD2-CB 4.09Å; Y932-Q936 HydrophobicContact CD2-CG 3.77Å; Y932-Q936 HydrophobicContact CE2-CB 3.83Å; Y932-Q936 HydrophobicContact CE2-CG 3.79Å; Y932-Q936 HydrophobicContact CG-CG 4.5Å; Y932-Q936 VanDerWaalsContact O-CB 3.3Å; Y932-Q936 WeakPolarHBondContact O-CB 3.43Å; Y932-Q936 PolarHBondContact O-N 2.8Å; Y932-Q937 HydrophobicContact CE1-CG 4.08Å; Y932-Q937 PolarHBondContact OH-NE2 3.26Å
933	Y	93.6	Very high	88.9	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.008	21%	0.207	C	C	.	.	I	π-helix	trans	-65.6	-39.4	178.5	-77.4	-86.8	0	0	0	111.5	C813 L857 I859 V901 I902 I928 D929 T930 Q937 L938	C813-Y933 HydrophobicContact CB-CE1 4.21Å; L857-Y933 HydrophobicContact CB-CE1 3.93Å; L857-Y933 HydrophobicContact CD2-CD1 3.94Å; L857-Y933 HydrophobicContact CD2-CE1 4.08Å; L857-Y933 HydrophobicContact CD2-CG 4.28Å; L857-Y933 VanDerWaalsContact O-CE1 3.27Å; L857-Y933 WeakPolarHBondContact O-CE1 3.45Å; L857-Y933 PolarHBondContact O-OH 2.89Å; I859-Y933 HydrophobicContact CD1-CE1 4.25Å; I859-Y933 HydrophobicContact CG1-CE1 4.49Å; V901-Y933 WeakPolarHBondContact CA-OH 3.2Å; I902-Y933 HydrophobicContact CB-CE2 4.12Å; I902-Y933 PolarHBondContact N-OH 3.27Å; I928-Y933 HydrophobicContact CG2-CD2 3.94Å; I928-Y933 HydrophobicContact CG2-CE2 3.75Å; D929-Y933 WeakPolarHBondContact O-CD2 3.39Å; D929-Y933 PolarHBondContact O-N 2.99Å; T930-Y933 PolarHBondContact O-N 2.85Å; Y933-Q937 HydrophobicContact CD1-CB 4.3Å; Y933-Q937 HydrophobicContact CD1-CG 3.82Å; Y933-Q937 HydrophobicContact CE1-CG 4.37Å; Y933-Q937 HydrophobicContact CG-CG 4.5Å; Y933-Q937 WeakPolarHBondContact O-CA 3.38Å; Y933-Q937 VanDerWaalsContact O-CB 3.3Å; Y933-Q937 WeakPolarHBondContact O-CB 3.49Å; Y933-Q937 PolarHBondContact O-N 3.14Å; Y933-L938 PolarHBondContact O-N 3.44Å
934	L	91.3	Very high	89.3	Confident	8 Å²	8	40.5 Å²	40.5	4%	0.042	20%	0.199	C	C	.	.	I	π-helix	trans	-61.6	-53.9	175.1	-176.5	58.6	0	0	0	112.3	I844 L847 L848 T930 Q931 L938 A939 L960	I844-L934 HydrophobicContact CD1-CD1 4.16Å; I844-L934 HydrophobicContact CG1-CD1 4Å; I844-L934 HydrophobicContact CG2-CD1 3.87Å; L847-L934 HydrophobicContact CD2-CB 4.46Å; L848-L934 HydrophobicContact CD1-CD2 4.3Å; L848-L934 HydrophobicContact CD2-CD2 4.3Å; T930-L934 WeakPolarHBondContact O-CB 3.48Å; T930-L934 PolarHBondContact O-N 3.28Å; Q931-L934 PolarHBondContact O-N 3.11Å; L934-L938 HydrophobicContact CD1-CD1 4.46Å; L934-L938 WeakPolarHBondContact O-CB 3.3Å; L934-A939 WeakPolarHBondContact O-CB 3.31Å; L934-A939 PolarHBondContact O-N 3.2Å; L934-L960 HydrophobicContact CD1-CD2 3.88Å
935	E	88.7	Confident	89.6	Confident	92 Å²	92	37.4 Å²	37.4	43%	0.43	19%	0.185	S	C	.	.	I	π-helix	trans	-78.8	-37.9	-172.5	-67.9	176.4	-169.4	0	0	114.3	Q931	Q931-E935 WeakPolarHBondContact CG-OE1 3.32Å; Q931-E935 PolarHBondContact NE2-OE1 3.32Å; Q931-E935 WeakPolarHBondContact O-CB 3.34Å; Q931-E935 WeakPolarHBondContact O-CG 3.49Å; Q931-E935 PolarHBondContact O-N 2.96Å
936	Q	89.9	Confident	90.1	Very high	85 Å²	85	35 Å²	35	40%	0.397	17%	0.168	S	C	.	.	I	π-helix	trans	-101.2	-27	-170.6	-54.8	-58.9	-29.4	0	0	113.5	Y932	Y932-Q936 HydrophobicContact CD2-CB 4.09Å; Y932-Q936 HydrophobicContact CD2-CG 3.77Å; Y932-Q936 HydrophobicContact CE2-CB 3.83Å; Y932-Q936 HydrophobicContact CE2-CG 3.79Å; Y932-Q936 HydrophobicContact CG-CG 4.5Å; Y932-Q936 VanDerWaalsContact O-CB 3.3Å; Y932-Q936 WeakPolarHBondContact O-CB 3.43Å; Y932-Q936 PolarHBondContact O-N 2.8Å
937	Q	91.8	Very high	90.2	Very high	24 Å²	24	36 Å²	36	11%	0.112	17%	0.172	C	C	.	.	I	π-helix	trans	-103.2	-46.6	-179.7	-56.1	-68.7	-40.1	0	0	112	V816 Y932 Y933 P941	V816-Q937 HydrophobicContact CG2-CB 3.79Å; V816-Q937 WeakPolarHBondContact CG2-O 3.37Å; Y932-Q937 HydrophobicContact CE1-CG 4.08Å; Y932-Q937 PolarHBondContact OH-NE2 3.26Å; Y933-Q937 HydrophobicContact CD1-CB 4.3Å; Y933-Q937 HydrophobicContact CD1-CG 3.82Å; Y933-Q937 HydrophobicContact CE1-CG 4.37Å; Y933-Q937 HydrophobicContact CG-CG 4.5Å; Y933-Q937 WeakPolarHBondContact O-CA 3.38Å; Y933-Q937 VanDerWaalsContact O-CB 3.3Å; Y933-Q937 WeakPolarHBondContact O-CB 3.49Å; Y933-Q937 PolarHBondContact O-N 3.14Å; Q937-P941 WeakPolarHBondContact O-CD 3.37Å; Q937-P941 WeakPolarHBondContact O-CG 3.38Å
938	L	92.1	Very high	90.1	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	18%	0.176	C	C	.	.	I	π-helix	trans	-88.7	-47.4	-173.7	-84.3	-179.1	0	0	0	115.6	L815 V816 L819 I844 L847 Y933 L934 K940 P941 L942	L815-L938 HydrophobicContact CD2-CD1 3.88Å; L815-L938 HydrophobicContact CD2-CD2 3.52Å; L815-L938 HydrophobicContact CD2-CG 3.92Å; V816-L938 HydrophobicContact CG2-CD2 4.31Å; L819-L938 HydrophobicContact CD2-CD2 3.63Å; I844-L938 HydrophobicContact CG1-CD1 4.09Å; L847-L938 HydrophobicContact CD1-CD1 3.95Å; Y933-L938 PolarHBondContact O-N 3.44Å; L934-L938 HydrophobicContact CD1-CD1 4.46Å; L934-L938 WeakPolarHBondContact O-CB 3.3Å; L938-K940 PolarHBondContact O-N 3.04Å; L938-P941 VanDerWaalsContact O-CD 3.32Å; L938-P941 WeakPolarHBondContact O-CD 3.27Å; L938-L942 HydrophobicContact CB-CD1 4.29Å; L938-L942 HydrophobicContact CD2-CD1 4.29Å; L938-L942 WeakPolarHBondContact O-CB 3.43Å; L938-L942 VanDerWaalsContact O-CG 3.3Å; L938-L942 WeakPolarHBondContact O-CG 3.49Å; L938-L942 PolarHBondContact O-N 2.92Å
939	A	90.4	Very high	89.7	Confident	9 Å²	9	37.5 Å²	37.5	7%	0.074	18%	0.18	C	C	.	.	H	α-helix	trans	-57.7	-52.5	-170.4	0	0	0	0	0	113	L934 L942 L943 L960	L934-A939 WeakPolarHBondContact O-CB 3.31Å; L934-A939 PolarHBondContact O-N 3.2Å; A939-L942 PolarHBondContact O-N 3.31Å; A939-L943 WeakPolarHBondContact O-CB 3.43Å; A939-L943 VanDerWaalsContact O-CG 3.27Å; A939-L943 WeakPolarHBondContact O-CG 3.18Å; A939-L943 PolarHBondContact O-N 3.31Å; A939-L960 HydrophobicContact CB-CD1 3.49Å; A939-L960 VanDerWaalsContact CB-CD1 3.49Å; A939-L960 HydrophobicContact CB-CD2 4.05Å; A939-L960 HydrophobicContact CB-CG 4.46Å
940	K	89.6	Confident	89.2	Confident	97 Å²	97	38.1 Å²	38.1	42%	0.422	18%	0.183	S	C	.	.	H	α-helix	trans	-66.1	-37.6	-171.9	-62.1	164.5	-174.8	171.7	0	113.5	L938 R944	L938-K940 PolarHBondContact O-N 3.04Å; K940-R944 VanDerWaalsContact O-CD 3.3Å; K940-R944 WeakPolarHBondContact O-CD 3.32Å; K940-R944 VanDerWaalsContact O-CG 3.26Å; K940-R944 WeakPolarHBondContact O-CG 3.44Å
941	P	91.2	Very high	88.7	Confident	9 Å²	9	38.2 Å²	38.2	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-71.8	-39.8	171.5	-25.1	38.2	0	0	0	113.8	E806 V816 V820 Q937 L938 I945	E806-P941 HydrophobicContact CB-CB 4.22Å; E806-P941 HydrophobicContact CB-CG 4.27Å; E806-P941 HydrophobicContact CG-CB 4.1Å; E806-P941 HydrophobicContact CG-CG 3.77Å; V816-P941 HydrophobicContact CG1-CB 4.23Å; V816-P941 HydrophobicContact CG1-CG 3.94Å; V820-P941 HydrophobicContact CG2-CB 4.1Å; Q937-P941 WeakPolarHBondContact O-CD 3.37Å; Q937-P941 WeakPolarHBondContact O-CG 3.38Å; L938-P941 VanDerWaalsContact O-CD 3.32Å; L938-P941 WeakPolarHBondContact O-CD 3.27Å; P941-I945 WeakPolarHBondContact O-CD1 3.3Å; P941-I945 WeakPolarHBondContact O-CG1 3.49Å; P941-I945 PolarHBondContact O-N 3.01Å
942	L	90.3	Very high	87.9	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-49.7	179.5	-74.2	171.7	0	0	0	111.6	L819 A840 I844 L938 A939 R944 I945 F946 L959	L819-L942 HydrophobicContact CD2-CD1 4.08Å; L819-L942 HydrophobicContact CD2-CD2 3.87Å; L819-L942 HydrophobicContact CD2-CG 4.38Å; L819-L942 HydrophobicContact CG-CD2 4.15Å; A840-L942 HydrophobicContact CB-CD2 4.26Å; I844-L942 HydrophobicContact CD1-CD1 4.04Å; L938-L942 HydrophobicContact CB-CD1 4.29Å; L938-L942 HydrophobicContact CD2-CD1 4.29Å; L938-L942 WeakPolarHBondContact O-CB 3.43Å; L938-L942 VanDerWaalsContact O-CG 3.3Å; L938-L942 WeakPolarHBondContact O-CG 3.49Å; L938-L942 PolarHBondContact O-N 2.92Å; A939-L942 PolarHBondContact O-N 3.31Å; L942-R944 VanDerWaalsContact C-N 3.34Å; L942-R944 PolarHBondContact O-N 3.22Å; L942-I945 PolarHBondContact O-N 3.36Å; L942-F946 HydrophobicContact CB-CD2 4.49Å; L942-F946 HydrophobicContact CD2-CD2 4.2Å; L942-F946 HydrophobicContact CD2-CE2 3.88Å; L942-F946 WeakPolarHBondContact O-CD2 3.46Å; L942-F946 PolarHBondContact O-N 2.88Å; L942-L959 HydrophobicContact CB-CD1 4.36Å
943	L	90.3	Very high	86.9	Confident	28 Å²	28	43.2 Å²	43.2	15%	0.147	23%	0.228	C	C	.	.	H	α-helix	trans	-53.6	-49.7	178.5	-72.3	173.5	0	0	0	111.6	A939 I945 F946 E947 A955 E956 L960	A939-L943 WeakPolarHBondContact O-CB 3.43Å; A939-L943 VanDerWaalsContact O-CG 3.27Å; A939-L943 WeakPolarHBondContact O-CG 3.18Å; A939-L943 PolarHBondContact O-N 3.31Å; L943-I945 PolarHBondContact O-N 2.96Å; L943-F946 PolarHBondContact O-N 3.35Å; L943-F946 VanDerWaalsContact O-N 3.12Å; L943-E947 HydrophobicContact CB-CG 4.31Å; L943-E947 HydrophobicContact CD2-CG 4.39Å; L943-E947 VanDerWaalsContact O-CB 3.27Å; L943-E947 WeakPolarHBondContact O-CB 3.27Å; L943-E947 WeakPolarHBondContact O-CG 3.39Å; L943-E947 PolarHBondContact O-N 3.12Å; L943-A955 HydrophobicContact CD2-CB 4.08Å; L943-E956 HydrophobicContact CD1-CG 4.42Å; L943-E956 HydrophobicContact CD2-CB 3.85Å; L943-E956 HydrophobicContact CD2-CG 4.11Å; L943-L960 HydrophobicContact CD1-CD1 4.16Å; L943-L960 HydrophobicContact CD2-CD1 4.45Å; L943-L960 HydrophobicContact CG-CD1 4.33Å
944	R	88.6	Confident	86	Confident	90 Å²	90	51 Å²	51	34%	0.34	26%	0.257	S	S	.	.	H	α-helix	trans	-55.1	-28.9	177.5	-73.9	170.4	-174	150.1	9.1	115.3	I780 E806 K940 L942	I780-R944 HydrophobicContact CD1-CB 4.43Å; I780-R944 WeakPolarHBondContact CD1-O 3.43Å; I780-R944 HydrophobicContact CG2-CB 4.07Å; I780-R944 HydrophobicContact CG2-CG 4.43Å; E806-R944 IonicContact OE1-NH1 2.68Å; E806-R944 PolarHBondContact OE1-NH1 3.09Å; K940-R944 VanDerWaalsContact O-CD 3.3Å; K940-R944 WeakPolarHBondContact O-CD 3.32Å; K940-R944 VanDerWaalsContact O-CG 3.26Å; K940-R944 WeakPolarHBondContact O-CG 3.44Å; L942-R944 VanDerWaalsContact C-N 3.34Å; L942-R944 PolarHBondContact O-N 3.22Å
945	I	88.3	Confident	85.6	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.015	26%	0.255	C	S	.	.	H	α-helix	trans	-89.4	-39.3	-179	-65.6	164.7	0	0	0	110.3	L778 I780 V820 L824 L827 P941 L942 L943 I949	L778-I945 HydrophobicContact CD2-CG2 4.32Å; I780-I945 HydrophobicContact CD1-CG1 4.23Å; V820-I945 HydrophobicContact CB-CD1 4.22Å; V820-I945 HydrophobicContact CG1-CD1 3.7Å; V820-I945 HydrophobicContact CG2-CD1 3.82Å; L824-I945 HydrophobicContact CD2-CG2 3.98Å; L827-I945 HydrophobicContact CD2-CG2 4.47Å; P941-I945 WeakPolarHBondContact O-CD1 3.3Å; P941-I945 WeakPolarHBondContact O-CG1 3.49Å; P941-I945 PolarHBondContact O-N 3.01Å; L942-I945 PolarHBondContact O-N 3.36Å; L943-I945 PolarHBondContact O-N 2.96Å; I945-I949 WeakPolarHBondContact O-CD1 3.3Å
946	F	88.6	Confident	85.3	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-93.3	-27.5	-171	-79.5	-70.6	0	0	0	114.8	A836 V837 A840 L942 L943 I949 L950 A955 L959	A836-F946 HydrophobicContact CB-CE1 3.95Å; A836-F946 HydrophobicContact CB-CZ 3.91Å; V837-F946 HydrophobicContact CG2-CD1 4.04Å; V837-F946 HydrophobicContact CG2-CE1 3.78Å; V837-F946 HydrophobicContact CG2-CZ 4.49Å; A840-F946 HydrophobicContact CB-CE2 4.5Å; L942-F946 HydrophobicContact CB-CD2 4.49Å; L942-F946 HydrophobicContact CD2-CD2 4.2Å; L942-F946 HydrophobicContact CD2-CE2 3.88Å; L942-F946 WeakPolarHBondContact O-CD2 3.46Å; L942-F946 PolarHBondContact O-N 2.88Å; L943-F946 PolarHBondContact O-N 3.35Å; L943-F946 VanDerWaalsContact O-N 3.12Å; F946-I949 PolarHBondContact O-N 2.97Å; F946-L950 HydrophobicContact CB-CD1 4.11Å; F946-L950 HydrophobicContact CD1-CD1 3.85Å; F946-L950 HydrophobicContact CG-CD1 4.37Å; F946-L950 PolarHBondContact O-N 2.82Å; F946-A955 HydrophobicContact CB-CB 4.12Å; F946-L959 HydrophobicContact CB-CD1 3.95Å; F946-L959 HydrophobicContact CD2-CD1 3.59Å; F946-L959 HydrophobicContact CE2-CD1 4.26Å; F946-L959 HydrophobicContact CG-CD1 3.84Å
947	E	88.7	Confident	84.8	Confident	58 Å²	58	47.3 Å²	47.3	27%	0.271	25%	0.248	S	C	.	.	H	α-helix	trans	-59.1	-41.4	176	-71.5	165.7	155.6	0	0	113.4	L943 I949 G951 A955	L943-E947 HydrophobicContact CB-CG 4.31Å; L943-E947 HydrophobicContact CD2-CG 4.39Å; L943-E947 VanDerWaalsContact O-CB 3.27Å; L943-E947 WeakPolarHBondContact O-CB 3.27Å; L943-E947 WeakPolarHBondContact O-CG 3.39Å; L943-E947 PolarHBondContact O-N 3.12Å; E947-I949 PolarHBondContact O-N 2.83Å; E947-G951 CarbonylContact O-C 3.57Å; E947-G951 VanDerWaalsContact O-CA 3.27Å; E947-G951 WeakPolarHBondContact O-CA 3.37Å; E947-G951 PolarHBondContact O-N 2.89Å; E947-A955 HydrophobicContact CG-CB 3.85Å
948	P	85.9	Confident	84.3	Confident	53 Å²	53	48.4 Å²	48.4	34%	0.344	26%	0.256	S	S	.	.	H	α-helix	trans	-66.1	-1.6	176.5	-21.9	34.9	0	0	0	115.8	L778	L778-P948 HydrophobicContact CD1-CB 4.27Å; L778-P948 HydrophobicContact CD1-CG 4.5Å
949	I	82.2	Confident	83.9	Confident	53 Å²	53	48.3 Å²	48.3	27%	0.272	26%	0.255	S	S	.	.	H	α-helix	trans	-123	-48.4	-173.2	-53.3	155.3	0	0	0	110.2	L827 P833 I945 F946 E947	L827-I949 HydrophobicContact CD1-CD1 3.65Å; L827-I949 HydrophobicContact CD1-CG1 4.48Å; L827-I949 HydrophobicContact CD2-CD1 3.41Å; L827-I949 VanDerWaalsContact CD2-CD1 3.41Å; L827-I949 HydrophobicContact CG-CD1 4.17Å; P833-I949 HydrophobicContact CB-CG2 4.38Å; P833-I949 HydrophobicContact CG-CG2 4.44Å; I945-I949 WeakPolarHBondContact O-CD1 3.3Å; F946-I949 PolarHBondContact O-N 2.97Å; E947-I949 PolarHBondContact O-N 2.83Å
950	L	81.2	Confident	83.6	Confident	37 Å²	37	49.3 Å²	49.3	19%	0.194	26%	0.259	C	S	.	.	H	α-helix	trans	-93.6	-12.8	-177.3	-71	156.9	0	0	0	113.4	V837 F946 R954	V837-L950 HydrophobicContact CG2-CD1 3.74Å; F946-L950 HydrophobicContact CB-CD1 4.11Å; F946-L950 HydrophobicContact CD1-CD1 3.85Å; F946-L950 HydrophobicContact CG-CD1 4.37Å; F946-L950 PolarHBondContact O-N 2.82Å; L950-R954 WeakPolarHBondContact O-CB 3.46Å; L950-R954 WeakPolarHBondContact O-CD 3.35Å
951	G	80.3	Confident	83.2	Confident	33 Å²	33	52.1 Å²	52.1	34%	0.34	27%	0.267	S	S	.	.			trans	87.2	153.9	-171.1	0	0	0	0	0	113.4	E947 A955	E947-G951 CarbonylContact O-C 3.57Å; E947-G951 VanDerWaalsContact O-CA 3.27Å; E947-G951 WeakPolarHBondContact O-CA 3.37Å; E947-G951 PolarHBondContact O-N 2.89Å; G951-A955 PolarHBondContact O-N 3.43Å
952	E	71.6	Confident	82.4	Confident	174 Å²	174	52.4 Å²	52.4	81%	0.813	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	147	174.9	-66.1	-172.1	173.5	0	0	111.4	R954	E952-R954 PolarHBondContact O-N 3.17Å
953	G	69.8	Low	81.8	Confident	45 Å²	45	57.3 Å²	57.3	46%	0.464	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	-41.8	-176.4	0	0	0	0	0	114.9	E956 A957	G953-E956 PolarHBondContact O-N 3.29Å; G953-A957 PolarHBondContact O-N 3.16Å
954	R	76	Confident	81.2	Confident	164 Å²	164	57.3 Å²	57.3	62%	0.619	30%	0.297	S	S	*	.	H	α-helix	trans	-64.6	-43	177.6	-173	172.8	-176.6	170.3	-2.4	111.6	L950 E952 E956 A957 V958	L950-R954 WeakPolarHBondContact O-CB 3.46Å; L950-R954 WeakPolarHBondContact O-CD 3.35Å; E952-R954 PolarHBondContact O-N 3.17Å; R954-E956 VanDerWaalsContact C-N 3.32Å; R954-E956 PolarHBondContact O-N 3.33Å; R954-A957 PolarHBondContact O-N 3.17Å; R954-V958 HydrophobicContact CG-CG2 4.19Å; R954-V958 WeakPolarHBondContact O-CB 3.45Å; R954-V958 VanDerWaalsContact O-CG2 3.25Å; R954-V958 WeakPolarHBondContact O-CG2 3.5Å; R954-V958 PolarHBondContact O-N 3.43Å
955	A	82.1	Confident	80.8	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.5	-41.9	174.4	0	0	0	0	0	112.2	L943 F946 E947 G951 L959	L943-A955 HydrophobicContact CD2-CB 4.08Å; F946-A955 HydrophobicContact CB-CB 4.12Å; E947-A955 HydrophobicContact CG-CB 3.85Å; G951-A955 PolarHBondContact O-N 3.43Å; A955-L959 VanDerWaalsContact O-CB 3.27Å; A955-L959 WeakPolarHBondContact O-CB 3.38Å; A955-L959 WeakPolarHBondContact O-CG 3.39Å; A955-L959 PolarHBondContact O-N 2.94Å
956	E	82.6	Confident	80.3	Confident	63 Å²	63	62 Å²	62	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-68.1	-44.8	179.1	-153.7	-152.3	162.9	0	0	112.2	L943 G953 R954 L960 R961	L943-E956 HydrophobicContact CD1-CG 4.42Å; L943-E956 HydrophobicContact CD2-CB 3.85Å; L943-E956 HydrophobicContact CD2-CG 4.11Å; G953-E956 PolarHBondContact O-N 3.29Å; R954-E956 VanDerWaalsContact C-N 3.32Å; R954-E956 PolarHBondContact O-N 3.33Å; E956-L960 HydrophobicContact CG-CB 4.45Å; E956-L960 HydrophobicContact CG-CD1 3.9Å; E956-L960 WeakPolarHBondContact O-CA 3.46Å; E956-L960 WeakPolarHBondContact O-CB 3.46Å; E956-L960 PolarHBondContact O-N 2.89Å; E956-R961 VanDerWaalsContact CD-CZ 3.49Å; E956-R961 PolarHBondContact O-N 2.9Å; E956-R961 IonicContact OE1-CZ 3.19Å; E956-R961 VanDerWaalsContact OE1-CZ 3.29Å; E956-R961 IonicContact OE1-NE 2.77Å; E956-R961 PolarHBondContact OE1-NE 3.49Å; E956-R961 IonicContact OE1-NH2 2.8Å; E956-R961 PolarHBondContact OE1-NH2 3.48Å; E956-R961 IonicContact OE2-CZ 2.71Å; E956-R961 VanDerWaalsContact OE2-CZ 3.3Å; E956-R961 IonicContact OE2-NE 2.76Å; E956-R961 IonicContact OE2-NH1 2.6Å; E956-R961 IonicContact OE2-NH2 2.72Å; E956-R961 PolarHBondContact OE2-NH2 3.02Å
957	A	79.3	Confident	79.5	Confident	46 Å²	46	65.7 Å²	65.7	38%	0.38	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-47.3	177.9	0	0	0	0	0	111.9	G953 R954 R961 G962	G953-A957 PolarHBondContact O-N 3.16Å; R954-A957 PolarHBondContact O-N 3.17Å; A957-R961 CarbonylContact O-C 3.52Å; A957-R961 PolarHBondContact O-N 3.02Å; A957-G962 PolarHBondContact O-N 3.01Å; A957-G962 VanDerWaalsContact O-N 3.16Å
958	V	81.4	Confident	78.8	Confident	46 Å²	46	68 Å²	68	28%	0.279	35%	0.351	S	S	.	.	H	α-helix	trans	-73.2	-39.3	-175.8	173.2	0	0	0	0	112.3	V837 Q841 R954 H964	V837-V958 HydrophobicContact CG1-CG1 3.61Å; Q841-V958 PolarHBondContact NE2-O 2.91Å; R954-V958 HydrophobicContact CG-CG2 4.19Å; R954-V958 WeakPolarHBondContact O-CB 3.45Å; R954-V958 VanDerWaalsContact O-CG2 3.25Å; R954-V958 WeakPolarHBondContact O-CG2 3.5Å; R954-V958 PolarHBondContact O-N 3.43Å; V958-H964 PolarHBondContact O-CE1 3.21Å; V958-H964 VanDerWaalsContact O-CE1 3.24Å
959	L	83.8	Confident	78.1	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-91.7	-34.3	-174.4	-63.2	174.3	0	0	0	114	V837 A840 Q841 I844 L942 F946 A955 H964	V837-L959 HydrophobicContact CB-CD2 4.46Å; V837-L959 HydrophobicContact CG1-CD2 4.02Å; V837-L959 HydrophobicContact CG2-CD2 4.4Å; A840-L959 HydrophobicContact CB-CD2 3.93Å; Q841-L959 HydrophobicContact CG-CD2 4.38Å; I844-L959 VanDerWaalsContact CD1-O 3.29Å; I844-L959 WeakPolarHBondContact CD1-O 3.38Å; L942-L959 HydrophobicContact CB-CD1 4.36Å; F946-L959 HydrophobicContact CB-CD1 3.95Å; F946-L959 HydrophobicContact CD2-CD1 3.59Å; F946-L959 HydrophobicContact CE2-CD1 4.26Å; F946-L959 HydrophobicContact CG-CD1 3.84Å; A955-L959 VanDerWaalsContact O-CB 3.27Å; A955-L959 WeakPolarHBondContact O-CB 3.38Å; A955-L959 WeakPolarHBondContact O-CG 3.39Å; A955-L959 PolarHBondContact O-N 2.94Å; L959-H964 PolarHBondContact O-CE1 3.23Å; L959-H964 PolarHBondContact O-NE2 3.19Å
960	L	85.1	Confident	77.3	Confident	30 Å²	30	72.2 Å²	72.2	16%	0.157	38%	0.378	C	S	.	.	H	α-helix	trans	-114.5	-10.2	-169.1	-56.5	176.5	0	0	0	114.2	I844 L934 A939 L943 E956	I844-L960 HydrophobicContact CD1-CD2 4.22Å; L934-L960 HydrophobicContact CD1-CD2 3.88Å; A939-L960 HydrophobicContact CB-CD1 3.49Å; A939-L960 VanDerWaalsContact CB-CD1 3.49Å; A939-L960 HydrophobicContact CB-CD2 4.05Å; A939-L960 HydrophobicContact CB-CG 4.46Å; L943-L960 HydrophobicContact CD1-CD1 4.16Å; L943-L960 HydrophobicContact CD2-CD1 4.45Å; L943-L960 HydrophobicContact CG-CD1 4.33Å; E956-L960 HydrophobicContact CG-CB 4.45Å; E956-L960 HydrophobicContact CG-CD1 3.9Å; E956-L960 WeakPolarHBondContact O-CA 3.46Å; E956-L960 WeakPolarHBondContact O-CB 3.46Å; E956-L960 PolarHBondContact O-N 2.89Å
961	R	79.7	Confident	76.4	Confident	156 Å²	156	75.6 Å²	75.6	59%	0.589	40%	0.396	S	S	*	.	S	Bend	trans	-129.4	1.5	-178.4	-52.8	-177.2	-172.5	162.2	0.6	114.4	E956 A957	E956-R961 VanDerWaalsContact CD-CZ 3.49Å; E956-R961 PolarHBondContact O-N 2.9Å; E956-R961 IonicContact OE1-CZ 3.19Å; E956-R961 VanDerWaalsContact OE1-CZ 3.29Å; E956-R961 IonicContact OE1-NE 2.77Å; E956-R961 PolarHBondContact OE1-NE 3.49Å; E956-R961 IonicContact OE1-NH2 2.8Å; E956-R961 PolarHBondContact OE1-NH2 3.48Å; E956-R961 IonicContact OE2-CZ 2.71Å; E956-R961 VanDerWaalsContact OE2-CZ 3.3Å; E956-R961 IonicContact OE2-NE 2.76Å; E956-R961 IonicContact OE2-NH1 2.6Å; E956-R961 IonicContact OE2-NH2 2.72Å; E956-R961 PolarHBondContact OE2-NH2 3.02Å; A957-R961 CarbonylContact O-C 3.52Å; A957-R961 PolarHBondContact O-N 3.02Å
962	G	75.8	Confident	75.5	Confident	15 Å²	15	79.6 Å²	79.6	16%	0.155	41%	0.414	C	S	.	.	S	Bend	trans	-69.9	170	178.2	0	0	0	0	0	114.4	A957 H964 T965	A957-G962 PolarHBondContact O-N 3.01Å; A957-G962 VanDerWaalsContact O-N 3.16Å; G962-H964 VanDerWaalsContact C-N 3.25Å; G962-H964 PolarHBondContact O-N 3.45Å; G962-T965 WeakPolarHBondContact O-CB 3.32Å; G962-T965 PolarHBondContact O-N 3.06Å; G962-T965 PolarHBondContact O-OG1 2.91Å
963	D	76.2	Confident	74.8	Confident	107 Å²	107	72 Å²	72	57%	0.572	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-56.8	-32.5	-175.3	-81.2	-84.1	0	0	0	114.9	T965 R966	D963-T965 PolarHBondContact O-N 2.96Å; D963-T965 VanDerWaalsContact O-N 3.08Å; D963-R966 WeakPolarHBondContact O-CB 3.45Å; D963-R966 PolarHBondContact O-N 3.28Å; D963-R966 WeakPolarHBondContact OD1-CD 3.43Å; D963-R966 IonicContact OD1-CZ 3.75Å; D963-R966 IonicContact OD1-NE 3.48Å; D963-R966 PolarHBondContact OD1-NE 3.21Å; D963-R966 IonicContact OD1-NH1 2.76Å; D963-R966 PolarHBondContact OD1-NH1 3.34Å; D963-R966 IonicContact OD2-CZ 3.86Å; D963-R966 IonicContact OD2-NH1 2.81Å; D963-R966 IonicContact OD2-NH2 3.13Å
964	H	78	Confident	74.2	Confident	28 Å²	28	76 Å²	76	13%	0.13	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-56.9	-22.7	174.7	63.8	-66.1	0	0	0	113.5	Q841 V958 L959 G962	Q841-H964 HydrophobicContact CB-CB 4.3Å; Q841-H964 PolarHBondContact O-CD2 3.25Å; Q841-H964 VanDerWaalsContact O-CD2 3.27Å; V958-H964 PolarHBondContact O-CE1 3.21Å; V958-H964 VanDerWaalsContact O-CE1 3.24Å; L959-H964 PolarHBondContact O-CE1 3.23Å; L959-H964 PolarHBondContact O-NE2 3.19Å; G962-H964 VanDerWaalsContact C-N 3.25Å; G962-H964 PolarHBondContact O-N 3.45Å
965	T	80.8	Confident	73.2	Confident	19 Å²	19	72.3 Å²	72.3	12%	0.117	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-85.7	-10.5	177	69.2	0	0	0	0	115	I844 L848 G962 D963 K968	I844-T965 HydrophobicContact CG2-CG2 3.96Å; L848-T965 HydrophobicContact CD1-CG2 4.3Å; G962-T965 WeakPolarHBondContact O-CB 3.32Å; G962-T965 PolarHBondContact O-N 3.06Å; G962-T965 PolarHBondContact O-OG1 2.91Å; D963-T965 PolarHBondContact O-N 2.96Å; D963-T965 VanDerWaalsContact O-N 3.08Å; T965-K968 WeakPolarHBondContact O-CE 3.27Å
966	R	76.7	Confident	72.2	Confident	172 Å²	172	74.3 Å²	74.3	65%	0.649	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-29.8	-174.1	-60	178.9	-178	179.5	-4.2	112	D963	D963-R966 WeakPolarHBondContact O-CB 3.45Å; D963-R966 PolarHBondContact O-N 3.28Å; D963-R966 WeakPolarHBondContact OD1-CD 3.43Å; D963-R966 IonicContact OD1-CZ 3.75Å; D963-R966 IonicContact OD1-NE 3.48Å; D963-R966 PolarHBondContact OD1-NE 3.21Å; D963-R966 IonicContact OD1-NH1 2.76Å; D963-R966 PolarHBondContact OD1-NH1 3.34Å; D963-R966 IonicContact OD2-CZ 3.86Å; D963-R966 IonicContact OD2-NH1 2.81Å; D963-R966 IonicContact OD2-NH2 3.13Å
967	C	72.7	Confident	71.4	Confident	80 Å²	80	74.4 Å²	74.4	54%	0.541	42%	0.42	S	S	.	.			trans	-79.2	118.1	172.1	-69.3	0	0	0	0	109.7
968	K	74.9	Confident	70.9	Confident	105 Å²	105	79.4 Å²	79.4	46%	0.457	44%	0.44	S	S	.	.			trans	-132.5	130.2	176.4	-58.2	-165.3	176.8	-169.9	0	110.4	L848 T965	L848-K968 HydrophobicContact CB-CG 4.34Å; L848-K968 HydrophobicContact CD2-CD 4.12Å; L848-K968 HydrophobicContact CD2-CG 4.37Å; L848-K968 WeakPolarHBondContact O-CA 3.41Å; T965-K968 WeakPolarHBondContact O-CE 3.27Å
969	T	70.1	Confident	70.2	Confident	70 Å²	70	80.7 Å²	80.7	43%	0.429	45%	0.445	S	S	.	.			trans	-97.1	128.6	172.8	-55.7	0	0	0	0	108.3	L848 C849 N850	L848-T969 PolarHBondContact O-N 3.39Å; C849-T969 WeakPolarHBondContact CA-OG1 3.43Å; C849-T969 WeakPolarHBondContact O-CB 3.37Å; C849-T969 PolarHBondContact O-OG1 3.42Å; N850-T969 PolarHBondContact ND2-O 2.71Å
970	V	65.2	Low	69.4	Low	125 Å²	125	84.8 Å²	84.8	76%	0.758	48%	0.479	S	S	*	.			trans	-111.2	108.9	178	-177.2	0	0	0	0	109.4
971	L	63.1	Low	68.8	Low	109 Å²	109	91.4 Å²	91.4	57%	0.571	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-75.8	124.5	169.9	-79.5	166.8	0	0	0	109.9	N850 P927	N850-L971 HydrophobicContact CB-CD1 3.98Å; P927-L971 WeakPolarHBondContact CG-O 3.45Å
972	T	60	Low	68.2	Low	116 Å²	116	87.1 Å²	87.1	71%	0.712	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-83.5	129	166.8	40.8	0	0	0	0	109.9
973	G	58.8	Low	67.9	Low	14 Å²	14	95.8 Å²	95.8	14%	0.144	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-66.5	154.6	177.8	0	0	0	0	0	112.3	L979	G973-L979 WeakPolarHBondContact O-CD1 3.25Å
974	K	56.6	Low	67.6	Low	131 Å²	131	101 Å²	101	57%	0.57	55%	0.55	S	S	*	.	S	Bend	trans	-88.8	-9.7	178.2	-67.5	179.9	178.8	173.8	0	113.5
975	V	55.3	Low	67.7	Low	86 Å²	86	109 Å²	109	52%	0.521	58%	0.578	S	S	.	*			trans	-118.6	125.6	-173.3	-177.5	0	0	0	0	111.3	H924	H924-V975 HydrophobicContact CB-CG2 4.16Å
976	G	60.8	Low	67.9	Low	41 Å²	41	110.6 Å²	110.6	42%	0.423	59%	0.586	S	S	.	*	S	Bend	trans	154.7	142.9	173.7	0	0	0	0	0	111.8	L978 L979 A980	G976-L978 PolarHBondContact O-N 3.37Å; G976-L978 VanDerWaalsContact O-N 3.12Å; G976-L979 WeakPolarHBondContact O-CB 3.36Å; G976-L979 PolarHBondContact O-N 2.85Å; G976-A980 PolarHBondContact O-N 2.93Å
977	G	65.6	Low	68.4	Low	65 Å²	65	104.7 Å²	104.7	67%	0.67	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-30.9	-170.8	0	0	0	0	0	115.2	F981	G977-F981 VanDerWaalsContact O-CD2 3.22Å; G977-F981 WeakPolarHBondContact O-CD2 3.28Å; G977-F981 VanDerWaalsContact O-CE2 3.3Å; G977-F981 WeakPolarHBondContact O-CE2 3.34Å
978	L	67.6	Low	69.1	Low	152 Å²	152	101 Å²	101	80%	0.796	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-30.4	175.1	-173.5	63.7	0	0	0	113	G976 A980 F981	G976-L978 PolarHBondContact O-N 3.37Å; G976-L978 VanDerWaalsContact O-N 3.12Å; L978-A980 VanDerWaalsContact C-N 3.33Å; L978-A980 PolarHBondContact O-N 2.86Å; L978-F981 PolarHBondContact O-N 3.2Å
979	L	67.4	Low	69.7	Low	73 Å²	73	97.5 Å²	97.5	38%	0.382	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-71.7	-28.3	-175.8	-73.7	156.8	0	0	0	112.1	G973 G976 F981 A982	G973-L979 WeakPolarHBondContact O-CD1 3.25Å; G976-L979 WeakPolarHBondContact O-CB 3.36Å; G976-L979 PolarHBondContact O-N 2.85Å; L979-F981 PolarHBondContact O-N 2.68Å; L979-A982 WeakPolarHBondContact O-CB 3.49Å; L979-A982 PolarHBondContact O-N 2.69Å; L979-A982 VanDerWaalsContact O-N 3.08Å
980	A	66.9	Low	70.5	Confident	86 Å²	86	96 Å²	96	71%	0.711	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-58.9	-23.3	171.2	0	0	0	0	0	113.6	G976 L978	G976-A980 PolarHBondContact O-N 2.93Å; L978-A980 VanDerWaalsContact C-N 3.33Å; L978-A980 PolarHBondContact O-N 2.86Å
981	F	72.4	Confident	71.5	Confident	170 Å²	170	92.7 Å²	92.7	75%	0.746	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-101.2	3.5	178.3	-57	-72.7	0	0	0	113.5	G977 L978 L979 K983	G977-F981 VanDerWaalsContact O-CD2 3.22Å; G977-F981 WeakPolarHBondContact O-CD2 3.28Å; G977-F981 VanDerWaalsContact O-CE2 3.3Å; G977-F981 WeakPolarHBondContact O-CE2 3.34Å; L978-F981 PolarHBondContact O-N 3.2Å; L979-F981 PolarHBondContact O-N 2.68Å; F981-K983 PolarHBondContact O-N 3.01Å
982	A	67.1	Low	72.5	Confident	66 Å²	66	97.6 Å²	97.6	55%	0.545	52%	0.523	S	S	.	.			trans	-77.6	105.9	-176.5	0	0	0	0	0	111.9	L979 R984	L979-A982 WeakPolarHBondContact O-CB 3.49Å; L979-A982 PolarHBondContact O-N 2.69Å; L979-A982 VanDerWaalsContact O-N 3.08Å; A982-R984 PolarHBondContact O-N 3.26Å; A982-R984 VanDerWaalsContact O-N 3.08Å
983	K	70.3	Confident	73.8	Confident	196 Å²	196	96 Å²	96	85%	0.852	51%	0.514	S	S	*	.			trans	-68.1	104.7	172	-72.9	-170.9	174.7	-175.6	0	111	F981 R985	F981-K983 PolarHBondContact O-N 3.01Å; K983-R985 PolarHBondContact O-N 2.83Å; K983-R985 VanDerWaalsContact O-N 3.08Å
984	R	69.8	Low	75.2	Confident	217 Å²	217	99.1 Å²	99.1	82%	0.819	53%	0.529	S	S	*	.			trans	-58.6	108.3	168.1	-165.7	179.8	-167.9	177.9	5.3	108.4	A982 D1067	A982-R984 PolarHBondContact O-N 3.26Å; A982-R984 VanDerWaalsContact O-N 3.08Å; R984-D1067 IonicContact NH2-OD1 2.6Å
985	R	80.6	Confident	76.6	Confident	195 Å²	195	93.8 Å²	93.8	74%	0.736	51%	0.507	S	S	*	.			trans	-89.1	148.3	170.3	-64	-168.6	-178.5	-160.2	1.7	109.6	K983 V994	K983-R985 PolarHBondContact O-N 2.83Å; K983-R985 VanDerWaalsContact O-N 3.08Å; R985-V994 HydrophobicContact CB-CG1 3.88Å; R985-V994 HydrophobicContact CG-CG1 4.43Å
986	N	84.1	Confident	77.9	Confident	53 Å²	53	95.7 Å²	95.7	28%	0.283	52%	0.524	S	S	.	.			trans	-78.5	151.4	174.8	-59.2	-39.1	0	0	0	110.4	V994 L995 H997	N986-V994 WeakPolarHBondContact O-CA 3.37Å; N986-L995 HydrophobicContact CB-CB 4.4Å; N986-L995 PolarHBondContact O-N 3.42Å; N986-H997 PolarHBondContact ND2-O 2.93Å
987	C	87	Confident	79.1	Confident	48 Å²	48	97.8 Å²	97.8	32%	0.324	52%	0.523	S	S	.	.	B	Isolated β-bridge	trans	-131.1	150.3	173.4	-62.6	0	0	0	0	110.5	I989 T993 R1074	C987-I989 PolarHBondContact O-N 2.92Å; C987-T993 CarbonylContact C-O 3.55Å; C987-T993 VanDerWaalsContact CA-O 3.27Å; C987-T993 WeakPolarHBondContact CA-O 3.43Å; C987-R1074 PolarHBondContact O-NH1 2.95Å; C987-R1074 PolarHBondContact O-NH2 3.28Å
988	C	88.1	Confident	80	Confident	2 Å²	2	102.2 Å²	102.2	1%	0.014	53%	0.526	C	S	.	.			trans	-59.9	129.2	169.1	172.6	0	0	0	0	109.7	G990 R992 T993 L995 A1000 C1002	C988-G990 VanDerWaalsContact C-N 3.33Å; C988-G990 PolarHBondContact O-N 3.27Å; C988-G990 PolarHBondContact SG-N 3.24Å; C988-G990 VanDerWaalsContact SG-N 3.4Å; C988-R992 WeakPolarHBondContact O-CA 3.29Å; C988-R992 PolarHBondContact O-N 3.46Å; C988-T993 PolarHBondContact N-O 2.92Å; C988-L995 HydrophobicContact CB-CD1 4.45Å; C988-L995 HydrophobicContact CB-CD2 4.26Å; C988-L995 HydrophobicContact CB-CG 4.48Å; C988-A1000 WeakPolarHBondContact CA-O 3.45Å; C988-C1002 HydrophobicContact CB-CB 3.98Å; C988-C1002 PolarHBondContact SG-N 3.32Å
989	I	87.9	Confident	80.9	Confident	32 Å²	32	96.4 Å²	96.4	16%	0.164	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-42.4	178	-65.5	172.3	0	0	0	111	C987 A1000 E1016 L1071 F1075	C987-I989 PolarHBondContact O-N 2.92Å; I989-A1000 HydrophobicContact CD1-CB 4.01Å; I989-A1000 PolarHBondContact N-O 3.41Å; I989-E1016 HydrophobicContact CG2-CG 4.32Å; I989-L1071 HydrophobicContact CD1-CD2 3.83Å; I989-L1071 HydrophobicContact CD1-CG 4.25Å; I989-F1075 HydrophobicContact CD1-CE2 3.65Å; I989-F1075 HydrophobicContact CD1-CZ 3.7Å
990	G	86.1	Confident	81.9	Confident	38 Å²	38	93 Å²	93	39%	0.392	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-41.7	-175.7	0	0	0	0	0	115.6	C988	C988-G990 VanDerWaalsContact C-N 3.33Å; C988-G990 PolarHBondContact O-N 3.27Å; C988-G990 PolarHBondContact SG-N 3.24Å; C988-G990 VanDerWaalsContact SG-N 3.4Å
991	C	86.4	Confident	83.1	Confident	57 Å²	57	89.1 Å²	89.1	39%	0.385	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-1.2	-173.4	68.5	0	0	0	0	115.4	T993 C1002	C991-T993 PolarHBondContact O-N 2.88Å; C991-T993 VanDerWaalsContact O-N 3.08Å; C991-T993 PolarHBondContact SG-OG1 2.97Å; C991-C1002 PolarHBondContact SG-SG 2.74Å
992	R	84.9	Confident	83.9	Confident	211 Å²	211	81.6 Å²	81.6	80%	0.796	42%	0.421	S	S	*	.			trans	63.4	3.9	-179.4	-52.9	177.6	-179.2	173.4	-0.6	116.2	C988	C988-R992 WeakPolarHBondContact O-CA 3.29Å; C988-R992 PolarHBondContact O-N 3.46Å
993	T	86.2	Confident	85	Confident	84 Å²	84	85.8 Å²	85.8	52%	0.515	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-58.1	135.8	171.3	-53.9	0	0	0	0	111	C987 C988 C991	C987-T993 CarbonylContact C-O 3.55Å; C987-T993 VanDerWaalsContact CA-O 3.27Å; C987-T993 WeakPolarHBondContact CA-O 3.43Å; C988-T993 PolarHBondContact N-O 2.92Å; C991-T993 PolarHBondContact O-N 2.88Å; C991-T993 VanDerWaalsContact O-N 3.08Å; C991-T993 PolarHBondContact SG-OG1 2.97Å
994	V	87.8	Confident	85.9	Confident	78 Å²	78	85.5 Å²	85.5	47%	0.473	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-67.6	133.4	178.6	-179.3	0	0	0	0	110.4	R985 N986	R985-V994 HydrophobicContact CB-CG1 3.88Å; R985-V994 HydrophobicContact CG-CG1 4.43Å; N986-V994 WeakPolarHBondContact O-CA 3.37Å
995	L	85.9	Confident	86.9	Confident	20 Å²	20	76.3 Å²	76.3	11%	0.105	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-103.1	151.4	-179.7	-58.6	176.6	0	0	0	111.6	N986 C988 G999 C1002	N986-L995 HydrophobicContact CB-CB 4.4Å; N986-L995 PolarHBondContact O-N 3.42Å; C988-L995 HydrophobicContact CB-CD1 4.45Å; C988-L995 HydrophobicContact CB-CD2 4.26Å; C988-L995 HydrophobicContact CB-CG 4.48Å; L995-G999 VanDerWaalsContact CD1-O 3.23Å; L995-G999 WeakPolarHBondContact CD1-O 3.23Å; L995-C1002 HydrophobicContact CD2-CB 3.81Å
996	S	83.8	Confident	87.3	Confident	125 Å²	125	71.7 Å²	71.7	87%	0.874	38%	0.384	S	S	*	.	S	Bend	trans	-83.8	-23.6	168.3	50.5	0	0	0	0	113
997	H	84.5	Confident	87.8	Confident	85 Å²	85	74.9 Å²	74.9	39%	0.394	41%	0.407	S	S	.	.	S	Bend	trans	-106.6	-176.3	-177.8	55.9	91.6	0	0	0	112.4	N986 V1001	N986-H997 PolarHBondContact ND2-O 2.93Å; H997-V1001 PolarHBondContact CE1-O 3.41Å
998	Q	84.4	Confident	88.1	Confident	159 Å²	159	79.2 Å²	79.2	74%	0.743	42%	0.417	S	S	*	.	S	Bend	trans	-95.9	-26.7	-177.5	-59.5	-164.5	7.6	0	0	115.1	R1074	Q998-R1074 PolarHBondContact O-NE 2.99Å
999	G	86.6	Confident	88.3	Confident	30 Å²	30	81.7 Å²	81.7	31%	0.309	43%	0.428	S	S	.	.	S	Bend	trans	-51	154.5	-177.2	0	0	0	0	0	115.1	L995 R1074	L995-G999 VanDerWaalsContact CD1-O 3.23Å; L995-G999 WeakPolarHBondContact CD1-O 3.23Å; G999-R1074 PolarHBondContact O-NH2 3.03Å
1000	A	89	Confident	88.6	Confident	1 Å²	1	84.1 Å²	84.1	1%	0.008	45%	0.448	C	S	.	.	S	Bend	trans	-62.4	-43.8	-168.8	0	0	0	0	0	115.3	C988 I989 R1074 F1075	C988-A1000 WeakPolarHBondContact CA-O 3.45Å; I989-A1000 HydrophobicContact CD1-CB 4.01Å; I989-A1000 PolarHBondContact N-O 3.41Å; A1000-R1074 HydrophobicContact CB-CB 4.09Å; A1000-R1074 PolarHBondContact N-O 2.83Å; A1000-R1074 PolarHBondContact O-NH2 3.33Å; A1000-F1075 HydrophobicContact CB-CD1 3.58Å; A1000-F1075 HydrophobicContact CB-CD2 3.88Å; A1000-F1075 HydrophobicContact CB-CE1 3.55Å; A1000-F1075 HydrophobicContact CB-CE2 3.84Å; A1000-F1075 HydrophobicContact CB-CG 3.77Å; A1000-F1075 HydrophobicContact CB-CZ 3.7Å
1001	V	91.6	Very high	89	Confident	5 Å²	5	85.2 Å²	85.2	3%	0.03	44%	0.443	C	S	.	.	S	Bend	trans	-112.8	166.2	-172.9	-60.7	0	0	0	0	112.5	H997 C1005 Q1006 E1009 L1012	H997-V1001 PolarHBondContact CE1-O 3.41Å; V1001-C1005 HydrophobicContact CB-CB 4.45Å; V1001-Q1006 HydrophobicContact CG2-CB 4Å; V1001-Q1006 HydrophobicContact CG2-CG 3.96Å; V1001-E1009 HydrophobicContact CG1-CB 4.32Å; V1001-E1009 HydrophobicContact CG1-CG 4.13Å; V1001-E1009 HydrophobicContact CG2-CB 4.44Å; V1001-E1009 HydrophobicContact CG2-CG 4.24Å; V1001-E1009 WeakPolarHBondContact CG2-OE1 3.2Å; V1001-L1012 HydrophobicContact CG1-CD1 3.84Å
1002	C	90.6	Very high	89.3	Confident	12 Å²	12	83.6 Å²	83.6	8%	0.081	43%	0.43	C	S	.	.			trans	-94.6	161	161	66.7	0	0	0	0	110.3	C988 C991 L995 F1004 C1005 Q1006	C988-C1002 HydrophobicContact CB-CB 3.98Å; C988-C1002 PolarHBondContact SG-N 3.32Å; C991-C1002 PolarHBondContact SG-SG 2.74Å; L995-C1002 HydrophobicContact CD2-CB 3.81Å; C1002-F1004 VanDerWaalsContact C-N 3.25Å; C1002-F1004 PolarHBondContact O-N 2.96Å; C1002-F1004 VanDerWaalsContact O-N 3.15Å; C1002-C1005 PolarHBondContact O-N 3.29Å; C1002-Q1006 PolarHBondContact O-N 2.85Å
1003	E	88.6	Confident	89.7	Confident	153 Å²	153	78 Å²	78	72%	0.715	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-44.7	-46.4	176.7	-62.2	163.5	-170	0	0	112.8	C1005 Q1006	E1003-C1005 VanDerWaalsContact C-N 3.32Å; E1003-C1005 PolarHBondContact O-N 3.42Å; E1003-Q1006 WeakPolarHBondContact O-CB 3.39Å; E1003-Q1006 PolarHBondContact O-N 3.35Å
1004	F	89.6	Confident	90	Very high	190 Å²	190	79.9 Å²	79.9	83%	0.833	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-66.5	-25	179.3	-59.5	-77.9	0	0	0	115	C1002	C1002-F1004 VanDerWaalsContact C-N 3.25Å; C1002-F1004 PolarHBondContact O-N 2.96Å; C1002-F1004 VanDerWaalsContact O-N 3.15Å
1005	C	90.4	Very high	90.3	Very high	24 Å²	24	81.5 Å²	81.5	16%	0.162	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-99.3	-8.5	178	-70	0	0	0	0	112.9	V1001 C1002 E1003 P1007 R1008	V1001-C1005 HydrophobicContact CB-CB 4.45Å; C1002-C1005 PolarHBondContact O-N 3.29Å; E1003-C1005 VanDerWaalsContact C-N 3.32Å; E1003-C1005 PolarHBondContact O-N 3.42Å; C1005-P1007 VanDerWaalsContact C-CD 3.47Å; C1005-R1008 PolarHBondContact O-N 3.09Å
1006	Q	90.7	Very high	90.6	Very high	98 Å²	98	82.7 Å²	82.7	46%	0.458	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-60	-33.8	-173.5	-163.1	141.7	30.5	0	0	115	V1001 C1002 E1003 R1008 E1009	V1001-Q1006 HydrophobicContact CG2-CB 4Å; V1001-Q1006 HydrophobicContact CG2-CG 3.96Å; C1002-Q1006 PolarHBondContact O-N 2.85Å; E1003-Q1006 WeakPolarHBondContact O-CB 3.39Å; E1003-Q1006 PolarHBondContact O-N 3.35Å; Q1006-R1008 PolarHBondContact O-N 3.42Å; Q1006-E1009 WeakPolarHBondContact CG-OE2 3.38Å; Q1006-E1009 PolarHBondContact NE2-OE2 3.02Å; Q1006-E1009 VanDerWaalsContact O-CB 3.23Å; Q1006-E1009 WeakPolarHBondContact O-CB 3.39Å; Q1006-E1009 PolarHBondContact O-N 3.44Å
1007	P	93.3	Very high	91.1	Very high	120 Å²	120	79.2 Å²	79.2	78%	0.779	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-60.1	-12.8	171.1	-26.2	36.4	0	0	0	115.2	C1005	C1005-P1007 VanDerWaalsContact C-CD 3.47Å
1008	R	93.4	Very high	91.5	Very high	140 Å²	140	79 Å²	79	53%	0.528	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-112.1	12.8	177	-62.2	179	65.4	-170.9	1.5	113	C1005 Q1006 S1010 E1011 L1012	C1005-R1008 PolarHBondContact O-N 3.09Å; Q1006-R1008 PolarHBondContact O-N 3.42Å; R1008-S1010 VanDerWaalsContact C-N 3.3Å; R1008-S1010 PolarHBondContact O-N 3.11Å; R1008-E1011 IonicContact CZ-OE1 2.65Å; R1008-E1011 IonicContact CZ-OE2 3.19Å; R1008-E1011 IonicContact NE-OE2 2.72Å; R1008-E1011 PolarHBondContact NE-OE2 3.43Å; R1008-E1011 IonicContact NH2-OE1 3.38Å; R1008-E1011 PolarHBondContact NH2-OE1 3Å; R1008-E1011 IonicContact NH2-OE2 2.82Å; R1008-E1011 PolarHBondContact NH2-OE2 3.27Å; R1008-E1011 WeakPolarHBondContact O-CB 3.38Å; R1008-E1011 PolarHBondContact O-N 3.37Å; R1008-E1011 VanDerWaalsContact O-N 3.09Å; R1008-L1012 WeakPolarHBondContact O-CG 3.27Å; R1008-L1012 PolarHBondContact O-N 3.43Å
1009	E	92.8	Very high	91.8	Very high	54 Å²	54	75.8 Å²	75.8	25%	0.252	39%	0.385	S	S	.	.	H	α-helix	trans	-57	-40.9	-175.6	-175	156.1	-145.4	0	0	112.6	V1001 Q1006 L1012 Y1013 F1075	V1001-E1009 HydrophobicContact CG1-CB 4.32Å; V1001-E1009 HydrophobicContact CG1-CG 4.13Å; V1001-E1009 HydrophobicContact CG2-CB 4.44Å; V1001-E1009 HydrophobicContact CG2-CG 4.24Å; V1001-E1009 WeakPolarHBondContact CG2-OE1 3.2Å; Q1006-E1009 WeakPolarHBondContact CG-OE2 3.38Å; Q1006-E1009 PolarHBondContact NE2-OE2 3.02Å; Q1006-E1009 VanDerWaalsContact O-CB 3.23Å; Q1006-E1009 WeakPolarHBondContact O-CB 3.39Å; Q1006-E1009 PolarHBondContact O-N 3.44Å; E1009-L1012 PolarHBondContact O-N 3.22Å; E1009-Y1013 WeakPolarHBondContact O-CB 3.44Å; E1009-Y1013 PolarHBondContact O-N 2.86Å; E1009-F1075 HydrophobicContact CG-CD1 3.99Å; E1009-F1075 HydrophobicContact CG-CE1 3.93Å
1010	S	93.5	Very high	92.1	Very high	83 Å²	83	75.3 Å²	75.3	58%	0.58	38%	0.375	S	S	*	.	H	α-helix	trans	-63.2	-41.7	175.1	-175.2	0	0	0	0	113.3	R1008 L1012 Y1013 Q1014	R1008-S1010 VanDerWaalsContact C-N 3.3Å; R1008-S1010 PolarHBondContact O-N 3.11Å; S1010-L1012 VanDerWaalsContact C-N 3.32Å; S1010-L1012 PolarHBondContact O-N 2.82Å; S1010-Y1013 PolarHBondContact O-N 2.98Å; S1010-Q1014 WeakPolarHBondContact O-CB 3.49Å; S1010-Q1014 VanDerWaalsContact O-CG 3.27Å; S1010-Q1014 WeakPolarHBondContact O-CG 3.49Å; S1010-Q1014 PolarHBondContact O-N 3.17Å
1011	E	94.1	Very high	92.5	Very high	61 Å²	61	80.4 Å²	80.4	29%	0.285	40%	0.402	S	S	.	.	H	α-helix	trans	-65.9	-36	177.4	-169.4	-153	146.1	0	0	111.6	R1008 K1015	R1008-E1011 IonicContact CZ-OE1 2.65Å; R1008-E1011 IonicContact CZ-OE2 3.19Å; R1008-E1011 IonicContact NE-OE2 2.72Å; R1008-E1011 PolarHBondContact NE-OE2 3.43Å; R1008-E1011 IonicContact NH2-OE1 3.38Å; R1008-E1011 PolarHBondContact NH2-OE1 3Å; R1008-E1011 IonicContact NH2-OE2 2.82Å; R1008-E1011 PolarHBondContact NH2-OE2 3.27Å; R1008-E1011 WeakPolarHBondContact O-CB 3.38Å; R1008-E1011 PolarHBondContact O-N 3.37Å; R1008-E1011 VanDerWaalsContact O-N 3.09Å; E1011-K1015 WeakPolarHBondContact O-CG 3.49Å; E1011-K1015 PolarHBondContact O-N 2.97Å; E1011-K1015 WeakPolarHBondContact OE1-CE 2.98Å; E1011-K1015 IonicContact OE1-NZ 3.69Å; E1011-K1015 PolarHBondContact OE1-NZ 3.17Å
1012	L	92.7	Very high	92.5	Very high	22 Å²	22	81.9 Å²	81.9	12%	0.115	42%	0.415	C	S	.	.	H	α-helix	trans	-70.7	-45.6	176.1	-65.9	171.7	0	0	0	110.9	V1001 R1008 E1009 S1010 Q1014 K1015 E1016	V1001-L1012 HydrophobicContact CG1-CD1 3.84Å; R1008-L1012 WeakPolarHBondContact O-CG 3.27Å; R1008-L1012 PolarHBondContact O-N 3.43Å; E1009-L1012 PolarHBondContact O-N 3.22Å; S1010-L1012 VanDerWaalsContact C-N 3.32Å; S1010-L1012 PolarHBondContact O-N 2.82Å; L1012-Q1014 PolarHBondContact O-N 3.07Å; L1012-K1015 PolarHBondContact O-N 3.38Å; L1012-E1016 PolarHBondContact O-N 2.89Å; L1012-E1016 VanDerWaalsContact O-N 3.11Å
1013	Y	93.8	Very high	92.6	Very high	95 Å²	95	81.5 Å²	81.5	37%	0.373	41%	0.412	S	S	.	.	H	α-helix	trans	-58	-47.2	175.4	-176.8	-93.9	0	0	0	112	E1009 S1010 K1015 E1016 V1017 L1072 F1075	E1009-Y1013 WeakPolarHBondContact O-CB 3.44Å; E1009-Y1013 PolarHBondContact O-N 2.86Å; S1010-Y1013 PolarHBondContact O-N 2.98Å; Y1013-K1015 PolarHBondContact O-N 2.75Å; Y1013-E1016 PolarHBondContact O-N 3.41Å; Y1013-V1017 HydrophobicContact CD1-CG1 4.38Å; Y1013-V1017 HydrophobicContact CE1-CB 4.32Å; Y1013-V1017 HydrophobicContact CE1-CG1 4.24Å; Y1013-V1017 WeakPolarHBondContact O-CG1 3.35Å; Y1013-V1017 PolarHBondContact O-N 3.24Å; Y1013-L1072 HydrophobicContact CD2-CD2 4Å; Y1013-L1072 HydrophobicContact CE2-CD2 3.88Å; Y1013-F1075 HydrophobicContact CD2-CB 4.02Å; Y1013-F1075 AromaticContact CD2-CD1 3.98Å; Y1013-F1075 HydrophobicContact CD2-CD1 3.98Å; Y1013-F1075 AromaticContact CD2-CD2 3.79Å; Y1013-F1075 HydrophobicContact CD2-CD2 3.79Å; Y1013-F1075 HydrophobicContact CD2-CE1 4.31Å; Y1013-F1075 HydrophobicContact CD2-CE2 4.15Å; Y1013-F1075 AromaticContact CD2-CG 3.68Å; Y1013-F1075 HydrophobicContact CD2-CG 3.68Å; Y1013-F1075 HydrophobicContact CD2-CZ 4.38Å; Y1013-F1075 HydrophobicContact CE2-CB 4.24Å; Y1013-F1075 HydrophobicContact CE2-CD2 4.36Å; Y1013-F1075 HydrophobicContact CE2-CG 4.32Å
1014	Q	93.8	Very high	92.9	Very high	123 Å²	123	78.4 Å²	78.4	58%	0.575	40%	0.397	S	S	*	.	H	α-helix	trans	-57.4	-33.1	177.6	-77.2	173.7	-11.6	0	0	113.4	S1010 L1012 S1018	S1010-Q1014 WeakPolarHBondContact O-CB 3.49Å; S1010-Q1014 VanDerWaalsContact O-CG 3.27Å; S1010-Q1014 WeakPolarHBondContact O-CG 3.49Å; S1010-Q1014 PolarHBondContact O-N 3.17Å; L1012-Q1014 PolarHBondContact O-N 3.07Å; Q1014-S1018 VanDerWaalsContact O-CB 3.31Å; Q1014-S1018 WeakPolarHBondContact O-CB 3.31Å; Q1014-S1018 PolarHBondContact O-N 3.39Å
1015	K	92.3	Very high	93.2	Very high	112 Å²	112	74 Å²	74	49%	0.487	38%	0.379	S	S	.	.	H	α-helix	trans	-74.6	-47.7	176.3	-72.4	170.7	-174.5	177.2	0	112.2	E1011 L1012 Y1013 S1018 H1019	E1011-K1015 WeakPolarHBondContact O-CG 3.49Å; E1011-K1015 PolarHBondContact O-N 2.97Å; E1011-K1015 WeakPolarHBondContact OE1-CE 2.98Å; E1011-K1015 IonicContact OE1-NZ 3.69Å; E1011-K1015 PolarHBondContact OE1-NZ 3.17Å; L1012-K1015 PolarHBondContact O-N 3.38Å; Y1013-K1015 PolarHBondContact O-N 2.75Å; K1015-S1018 PolarHBondContact O-N 2.8Å; K1015-H1019 PolarHBondContact O-N 2.62Å; K1015-H1019 VanDerWaalsContact O-N 3.1Å
1016	E	92.4	Very high	93.4	Very high	45 Å²	45	78.6 Å²	78.6	21%	0.21	39%	0.394	C	S	.	.	H	α-helix	trans	-70.3	-33.8	-176.7	-61.6	-58.7	161.6	0	0	112.5	I989 L1012 Y1013 H1019 L1020 Q1068 L1071 L1072	I989-E1016 HydrophobicContact CG2-CG 4.32Å; L1012-E1016 PolarHBondContact O-N 2.89Å; L1012-E1016 VanDerWaalsContact O-N 3.11Å; Y1013-E1016 PolarHBondContact O-N 3.41Å; E1016-H1019 WeakPolarHBondContact O-CB 3.46Å; E1016-H1019 PolarHBondContact O-N 3.34Å; E1016-L1020 PolarHBondContact O-N 3.01Å; E1016-Q1068 PolarHBondContact O-NE2 3Å; E1016-Q1068 PolarHBondContact OE2-NE2 3.4Å; E1016-L1071 HydrophobicContact CB-CD2 4.11Å; E1016-L1071 HydrophobicContact CG-CD2 3.97Å; E1016-L1072 HydrophobicContact CB-CD2 3.83Å; E1016-L1072 HydrophobicContact CB-CG 4.36Å
1017	V	94.1	Very high	93.6	Very high	51 Å²	51	76.8 Å²	76.8	31%	0.309	38%	0.384	S	S	.	.	H	α-helix	trans	-72.5	-34.9	174.7	76.8	0	0	0	0	112.3	Y1013 H1019 L1020 N1021 L1072	Y1013-V1017 HydrophobicContact CD1-CG1 4.38Å; Y1013-V1017 HydrophobicContact CE1-CB 4.32Å; Y1013-V1017 HydrophobicContact CE1-CG1 4.24Å; Y1013-V1017 WeakPolarHBondContact O-CG1 3.35Å; Y1013-V1017 PolarHBondContact O-N 3.24Å; V1017-H1019 VanDerWaalsContact C-N 3.26Å; V1017-H1019 PolarHBondContact O-N 3.17Å; V1017-L1020 PolarHBondContact O-N 2.95Å; V1017-N1021 PolarHBondContact O-N 3.34Å; V1017-L1072 HydrophobicContact CB-CD2 4.39Å
1018	S	94.6	Very high	93.7	Very high	80 Å²	80	74.4 Å²	74.4	56%	0.559	37%	0.37	S	S	*	.	H	α-helix	trans	-62.9	-35	170.8	-175.9	0	0	0	0	111.6	Q1014 K1015 A1022	Q1014-S1018 VanDerWaalsContact O-CB 3.31Å; Q1014-S1018 WeakPolarHBondContact O-CB 3.31Å; Q1014-S1018 PolarHBondContact O-N 3.39Å; K1015-S1018 PolarHBondContact O-N 2.8Å; S1018-A1022 PolarHBondContact O-N 3.41Å
1019	H	90.3	Very high	93.8	Very high	92 Å²	92	75.7 Å²	75.7	43%	0.426	38%	0.375	S	S	.	.	H	α-helix	trans	-68.4	-42.3	172.7	-170.2	25.8	0	0	0	112.7	K1015 E1016 V1017 A1022 L1023	K1015-H1019 PolarHBondContact O-N 2.62Å; K1015-H1019 VanDerWaalsContact O-N 3.1Å; E1016-H1019 WeakPolarHBondContact O-CB 3.46Å; E1016-H1019 PolarHBondContact O-N 3.34Å; V1017-H1019 VanDerWaalsContact C-N 3.26Å; V1017-H1019 PolarHBondContact O-N 3.17Å; H1019-A1022 PolarHBondContact O-N 3.1Å; H1019-L1023 PolarHBondContact O-N 3Å
1020	L	93.4	Very high	93.8	Very high	21 Å²	21	74 Å²	74	11%	0.11	37%	0.368	C	S	.	.	H	α-helix	trans	-58.2	-50.1	175.8	-173.9	78.3	0	0	0	111.6	E1016 V1017 A1022 L1023 E1024 L1065 Q1068 E1069 L1072	E1016-L1020 PolarHBondContact O-N 3.01Å; V1017-L1020 PolarHBondContact O-N 2.95Å; L1020-A1022 PolarHBondContact O-N 3.33Å; L1020-L1023 CarbonylContact O-C 3.54Å; L1020-L1023 WeakPolarHBondContact O-CA 3.49Å; L1020-L1023 WeakPolarHBondContact O-CB 3.4Å; L1020-L1023 PolarHBondContact O-N 2.81Å; L1020-E1024 WeakPolarHBondContact CD2-OE1 3.25Å; L1020-E1024 HydrophobicContact CG-CG 4.46Å; L1020-E1024 PolarHBondContact O-N 3.03Å; L1020-L1065 HydrophobicContact CD1-CD1 3.7Å; L1020-L1065 HydrophobicContact CG-CD1 4.45Å; L1020-Q1068 HydrophobicContact CB-CG 4.21Å; L1020-Q1068 HydrophobicContact CD1-CB 4.14Å; L1020-Q1068 HydrophobicContact CD1-CG 3.9Å; L1020-E1069 HydrophobicContact CD1-CB 4.41Å; L1020-L1072 HydrophobicContact CB-CD1 3.66Å; L1020-L1072 HydrophobicContact CD1-CD1 4.29Å; L1020-L1072 HydrophobicContact CD2-CD1 3.68Å; L1020-L1072 HydrophobicContact CG-CD1 4.08Å
1021	N	95.6	Very high	93.8	Very high	107 Å²	107	73.6 Å²	73.6	57%	0.572	35%	0.353	S	S	*	.	H	α-helix	trans	-54.8	-39.9	178.2	179	89.2	0	0	0	112.3	V1017 L1023 E1024 E1025	V1017-N1021 PolarHBondContact O-N 3.34Å; N1021-L1023 VanDerWaalsContact C-N 3.29Å; N1021-L1023 PolarHBondContact O-N 3.39Å; N1021-E1024 PolarHBondContact O-N 3.23Å; N1021-E1025 PolarHBondContact O-N 2.89Å; N1021-E1025 VanDerWaalsContact O-N 3.12Å
1022	A	93.4	Very high	93.8	Very high	36 Å²	36	73.3 Å²	73.3	30%	0.298	36%	0.356	S	S	.	.	H	α-helix	trans	-73.5	-15	176.2	0	0	0	0	0	114.5	S1018 H1019 L1020 R1026	S1018-A1022 PolarHBondContact O-N 3.41Å; H1019-A1022 PolarHBondContact O-N 3.1Å; L1020-A1022 PolarHBondContact O-N 3.33Å; A1022-R1026 WeakPolarHBondContact O-CB 3.44Å
1023	L	92.3	Very high	93.8	Very high	4 Å²	4	75.9 Å²	75.9	2%	0.021	37%	0.367	C	S	.	.	H	α-helix	trans	-87.7	-37.2	169.7	-67.9	170.8	0	0	0	111.5	H1019 L1020 N1021 R1026 F1027 D1064 L1065 Q1068	H1019-L1023 PolarHBondContact O-N 3Å; L1020-L1023 CarbonylContact O-C 3.54Å; L1020-L1023 WeakPolarHBondContact O-CA 3.49Å; L1020-L1023 WeakPolarHBondContact O-CB 3.4Å; L1020-L1023 PolarHBondContact O-N 2.81Å; N1021-L1023 VanDerWaalsContact C-N 3.29Å; N1021-L1023 PolarHBondContact O-N 3.39Å; L1023-R1026 PolarHBondContact O-N 2.85Å; L1023-F1027 VanDerWaalsContact O-CB 3.32Å; L1023-F1027 WeakPolarHBondContact O-CB 3.19Å; L1023-F1027 PolarHBondContact O-N 3.3Å; L1023-D1064 HydrophobicContact CD1-CB 4.41Å; L1023-D1064 HydrophobicContact CD2-CB 4.09Å; L1023-L1065 HydrophobicContact CB-CD1 3.79Å; L1023-Q1068 HydrophobicContact CD1-CB 3.96Å; L1023-Q1068 HydrophobicContact CD1-CG 4.18Å
1024	E	95.3	Very high	93.7	Very high	88 Å²	88	72.1 Å²	72.1	41%	0.411	36%	0.355	S	S	.	.	H	α-helix	trans	-65.5	-46	177.2	-71	179.4	-171.3	0	0	112.6	L1020 N1021 R1026 F1027 S1028 L1065	L1020-E1024 WeakPolarHBondContact CD2-OE1 3.25Å; L1020-E1024 HydrophobicContact CG-CG 4.46Å; L1020-E1024 PolarHBondContact O-N 3.03Å; N1021-E1024 PolarHBondContact O-N 3.23Å; E1024-R1026 VanDerWaalsContact C-N 3.28Å; E1024-R1026 PolarHBondContact O-N 3.08Å; E1024-F1027 PolarHBondContact O-N 2.87Å; E1024-S1028 WeakPolarHBondContact O-CB 3.38Å; E1024-S1028 PolarHBondContact O-N 3.28Å; E1024-S1028 PolarHBondContact O-OG 3.18Å; E1024-L1065 HydrophobicContact CG-CD1 3.68Å
1025	E	96.1	Very high	93.5	Very high	98 Å²	98	69 Å²	69	46%	0.458	34%	0.341	S	S	.	.	H	α-helix	trans	-57.1	-45	174.1	-170.8	-129.2	128.4	0	0	110.6	N1021 S1028 R1029	N1021-E1025 PolarHBondContact O-N 2.89Å; N1021-E1025 VanDerWaalsContact O-N 3.12Å; E1025-S1028 PolarHBondContact O-N 2.64Å; E1025-R1029 WeakPolarHBondContact O-CB 3.36Å; E1025-R1029 VanDerWaalsContact O-CG 3.27Å; E1025-R1029 WeakPolarHBondContact O-CG 3.32Å; E1025-R1029 PolarHBondContact O-N 3.1Å; E1025-R1029 WeakPolarHBondContact OE1-CD 3.43Å; E1025-R1029 IonicContact OE1-CZ 3.88Å; E1025-R1029 IonicContact OE1-NE 3.25Å; E1025-R1029 IonicContact OE1-NH1 3.84Å; E1025-R1029 PolarHBondContact OE1-NH1 2.82Å
1026	R	93.1	Very high	93.4	Very high	121 Å²	121	70.3 Å²	70.3	46%	0.457	34%	0.342	S	S	.	.	H	α-helix	trans	-66.9	-43.3	179.6	-169.2	-176.8	-53.8	-169.9	0.5	112.2	A1022 L1023 E1024 L1030 V1061	A1022-R1026 WeakPolarHBondContact O-CB 3.44Å; L1023-R1026 PolarHBondContact O-N 2.85Å; E1024-R1026 VanDerWaalsContact C-N 3.28Å; E1024-R1026 PolarHBondContact O-N 3.08Å; R1026-L1030 HydrophobicContact CG-CD1 4.08Å; R1026-L1030 WeakPolarHBondContact O-CB 3.5Å; R1026-L1030 WeakPolarHBondContact O-CG 3.42Å; R1026-L1030 PolarHBondContact O-N 3.15Å; R1026-L1030 VanDerWaalsContact O-N 3.08Å; R1026-V1061 HydrophobicContact CB-CG1 4.45Å; R1026-V1061 HydrophobicContact CG-CG1 4.37Å; R1026-V1061 HydrophobicContact CG-CG2 4.19Å
1027	F	94.9	Very high	93.1	Very high	60 Å²	60	70.7 Å²	70.7	26%	0.263	35%	0.35	S	S	.	.	H	α-helix	trans	-57.6	-53	175.4	178.9	-88.1	0	0	0	110.1	L1023 E1024 R1029 L1030 W1031 V1061 R1062 L1065	L1023-F1027 VanDerWaalsContact O-CB 3.32Å; L1023-F1027 WeakPolarHBondContact O-CB 3.19Å; L1023-F1027 PolarHBondContact O-N 3.3Å; E1024-F1027 PolarHBondContact O-N 2.87Å; F1027-R1029 PolarHBondContact O-N 3.42Å; F1027-L1030 PolarHBondContact O-N 3.08Å; F1027-W1031 AromaticContact CD2-CD1 3.76Å; F1027-W1031 AromaticContact CD2-NE1 3.76Å; F1027-W1031 AromaticContact CE1-CD1 3.89Å; F1027-W1031 HydrophobicContact CE1-CG 4.4Å; F1027-W1031 AromaticContact CE2-CD1 3.57Å; F1027-W1031 AromaticContact CE2-NE1 3.31Å; F1027-W1031 VanDerWaalsContact CE2-NE1 3.31Å; F1027-W1031 AromaticContact CZ-CD1 3.63Å; F1027-W1031 HydrophobicContact CZ-CG 4.26Å; F1027-W1031 AromaticContact CZ-NE1 3.66Å; F1027-W1031 PolarHBondContact O-N 3Å; F1027-V1061 HydrophobicContact CB-CG1 3.97Å; F1027-V1061 HydrophobicContact CD2-CG1 4.48Å; F1027-R1062 HydrophobicContact CD2-CB 4.43Å; F1027-R1062 HydrophobicContact CE2-CB 3.97Å; F1027-R1062 HydrophobicContact CE2-CG 4.1Å; F1027-L1065 HydrophobicContact CB-CD2 4.18Å; F1027-L1065 HydrophobicContact CD2-CD2 4.06Å; F1027-L1065 HydrophobicContact CG-CD2 4.05Å
1028	S	95.4	Very high	92.6	Very high	70 Å²	70	70 Å²	70	49%	0.49	34%	0.343	S	S	.	.	H	α-helix	trans	-58.2	-48.9	-178	-55	0	0	0	0	111.7	E1024 E1025 L1030 W1031 T1032	E1024-S1028 WeakPolarHBondContact O-CB 3.38Å; E1024-S1028 PolarHBondContact O-N 3.28Å; E1024-S1028 PolarHBondContact O-OG 3.18Å; E1025-S1028 PolarHBondContact O-N 2.64Å; S1028-L1030 PolarHBondContact O-N 3.29Å; S1028-W1031 PolarHBondContact O-N 3.07Å; S1028-T1032 VanDerWaalsContact O-CG2 3.28Å; S1028-T1032 WeakPolarHBondContact O-CG2 3.46Å; S1028-T1032 PolarHBondContact O-N 3.36Å
1029	R	96.3	Very high	92.2	Very high	166 Å²	166	69.6 Å²	69.6	63%	0.626	35%	0.351	S	S	*	.	H	α-helix	trans	-61.2	-39.9	178.2	-74.3	174.1	67.4	-179.2	2.5	113.2	E1025 F1027 Q1033	E1025-R1029 WeakPolarHBondContact O-CB 3.36Å; E1025-R1029 VanDerWaalsContact O-CG 3.27Å; E1025-R1029 WeakPolarHBondContact O-CG 3.32Å; E1025-R1029 PolarHBondContact O-N 3.1Å; E1025-R1029 WeakPolarHBondContact OE1-CD 3.43Å; E1025-R1029 IonicContact OE1-CZ 3.88Å; E1025-R1029 IonicContact OE1-NE 3.25Å; E1025-R1029 IonicContact OE1-NH1 3.84Å; E1025-R1029 PolarHBondContact OE1-NH1 2.82Å; F1027-R1029 PolarHBondContact O-N 3.42Å; R1029-Q1033 VanDerWaalsContact O-CB 3.26Å; R1029-Q1033 WeakPolarHBondContact O-CB 3.18Å; R1029-Q1033 PolarHBondContact O-N 2.95Å
1030	L	93.1	Very high	91.9	Very high	18 Å²	18	66.4 Å²	66.4	9%	0.094	34%	0.339	C	S	.	.	H	α-helix	trans	-70.8	-46.5	179.8	-69.4	170.4	0	0	0	112	R1026 F1027 S1028 Q1033 C1034 I1054 M1057 R1058 V1061	R1026-L1030 HydrophobicContact CG-CD1 4.08Å; R1026-L1030 WeakPolarHBondContact O-CB 3.5Å; R1026-L1030 WeakPolarHBondContact O-CG 3.42Å; R1026-L1030 PolarHBondContact O-N 3.15Å; R1026-L1030 VanDerWaalsContact O-N 3.08Å; F1027-L1030 PolarHBondContact O-N 3.08Å; S1028-L1030 PolarHBondContact O-N 3.29Å; L1030-Q1033 PolarHBondContact O-N 3Å; L1030-C1034 PolarHBondContact O-N 3.4Å; L1030-I1054 HydrophobicContact CD2-CD1 3.74Å; L1030-I1054 HydrophobicContact CD2-CG2 4.15Å; L1030-M1057 HydrophobicContact CD1-CB 4.47Å; L1030-M1057 HydrophobicContact CD1-CG 3.85Å; L1030-M1057 HydrophobicContact CD1-SD 4.09Å; L1030-M1057 HydrophobicContact CD2-CG 4.4Å; L1030-M1057 HydrophobicContact CD2-SD 3.82Å; L1030-R1058 HydrophobicContact CB-CB 4.39Å; L1030-V1061 HydrophobicContact CD1-CB 4.21Å; L1030-V1061 HydrophobicContact CD1-CG2 3.82Å
1031	W	93.7	Very high	91.8	Very high	75 Å²	75	70.4 Å²	70.4	28%	0.284	36%	0.36	S	S	.	.	H	α-helix	trans	-70.6	-40.2	-177.6	-78.2	89.9	0	0	0	112.6	F1027 S1028 Q1033 C1034 Q1035 R1058	F1027-W1031 AromaticContact CD2-CD1 3.76Å; F1027-W1031 AromaticContact CD2-NE1 3.76Å; F1027-W1031 AromaticContact CE1-CD1 3.89Å; F1027-W1031 HydrophobicContact CE1-CG 4.4Å; F1027-W1031 AromaticContact CE2-CD1 3.57Å; F1027-W1031 AromaticContact CE2-NE1 3.31Å; F1027-W1031 VanDerWaalsContact CE2-NE1 3.31Å; F1027-W1031 AromaticContact CZ-CD1 3.63Å; F1027-W1031 HydrophobicContact CZ-CG 4.26Å; F1027-W1031 AromaticContact CZ-NE1 3.66Å; F1027-W1031 PolarHBondContact O-N 3Å; S1028-W1031 PolarHBondContact O-N 3.07Å; W1031-Q1033 VanDerWaalsContact C-N 3.26Å; W1031-Q1033 PolarHBondContact O-N 3.24Å; W1031-C1034 WeakPolarHBondContact O-CB 3.39Å; W1031-C1034 PolarHBondContact O-N 3.16Å; W1031-C1034 VanDerWaalsContact O-N 3.09Å; W1031-Q1035 PolarHBondContact O-N 2.99Å; W1031-R1058 HydrophobicContact CZ2-CB 4.44Å; W1031-R1058 HydrophobicContact CZ2-CG 4.27Å
1032	T	94	Very high	91.5	Very high	55 Å²	55	74 Å²	74	34%	0.337	37%	0.373	S	S	.	.	H	α-helix	trans	-72.1	-19.3	174.2	-160.8	0	0	0	0	113.3	S1028 C1034 Q1035 R1036	S1028-T1032 VanDerWaalsContact O-CG2 3.28Å; S1028-T1032 WeakPolarHBondContact O-CG2 3.46Å; S1028-T1032 PolarHBondContact O-N 3.36Å; T1032-C1034 VanDerWaalsContact C-N 3.34Å; T1032-Q1035 PolarHBondContact OG1-OE1 3.47Å; T1032-R1036 WeakPolarHBondContact O-CG 3.44Å; T1032-R1036 PolarHBondContact O-N 2.79Å; T1032-R1036 PolarHBondContact O-NE 3.36Å; T1032-R1036 VanDerWaalsContact O-NE 3.07Å
1033	Q	92.4	Very high	91.2	Very high	76 Å²	76	77.2 Å²	77.2	36%	0.355	38%	0.382	S	S	.	.	H	α-helix	trans	-70.9	-30	168.3	-173.1	57.8	68.4	0	0	112.2	R1029 L1030 W1031 R1036 C1037	R1029-Q1033 VanDerWaalsContact O-CB 3.26Å; R1029-Q1033 WeakPolarHBondContact O-CB 3.18Å; R1029-Q1033 PolarHBondContact O-N 2.95Å; L1030-Q1033 PolarHBondContact O-N 3Å; W1031-Q1033 VanDerWaalsContact C-N 3.26Å; W1031-Q1033 PolarHBondContact O-N 3.24Å; Q1033-R1036 VanDerWaalsContact CA-NH2 3.27Å; Q1033-R1036 VanDerWaalsContact OE1-CZ 3.24Å; Q1033-C1037 WeakPolarHBondContact O-CB 3.49Å; Q1033-C1037 PolarHBondContact O-N 2.75Å; Q1033-C1037 VanDerWaalsContact O-N 3.1Å
1034	C	90.9	Very high	90.9	Very high	16 Å²	16	83.4 Å²	83.4	11%	0.108	42%	0.415	C	S	.	.	H	α-helix	trans	-68.6	-45.1	173.3	-67	0	0	0	0	112.2	L1030 W1031 T1032 R1036 C1037 Q1038 V1045	L1030-C1034 PolarHBondContact O-N 3.4Å; W1031-C1034 WeakPolarHBondContact O-CB 3.39Å; W1031-C1034 PolarHBondContact O-N 3.16Å; W1031-C1034 VanDerWaalsContact O-N 3.09Å; T1032-C1034 VanDerWaalsContact C-N 3.34Å; C1034-R1036 VanDerWaalsContact C-N 3.34Å; C1034-R1036 PolarHBondContact O-N 2.94Å; C1034-C1037 CarbonylContact O-C 3.58Å; C1034-C1037 WeakPolarHBondContact O-CA 3.4Å; C1034-C1037 WeakPolarHBondContact O-CB 3.5Å; C1034-C1037 PolarHBondContact O-N 2.66Å; C1034-Q1038 PolarHBondContact O-N 2.75Å; C1034-V1045 HydrophobicContact CB-CG1 3.68Å; C1034-V1045 HydrophobicContact CB-CG2 4.02Å
1035	Q	90.3	Very high	90.6	Very high	59 Å²	59	80.6 Å²	80.6	28%	0.276	40%	0.404	S	S	.	.	H	α-helix	trans	-56	-48.6	175	-66	174.4	-65.7	0	0	111.4	W1031 T1032 C1037 Q1038 G1039 L1041 V1045	W1031-Q1035 PolarHBondContact O-N 2.99Å; T1032-Q1035 PolarHBondContact OG1-OE1 3.47Å; Q1035-C1037 PolarHBondContact O-N 2.88Å; Q1035-Q1038 PolarHBondContact O-N 3.32Å; Q1035-Q1038 VanDerWaalsContact O-N 3.15Å; Q1035-G1039 PolarHBondContact O-N 2.93Å; Q1035-L1041 HydrophobicContact CB-CD2 4.02Å; Q1035-L1041 PolarHBondContact NE2-O 3.34Å; Q1035-V1045 HydrophobicContact CG-CG2 4.19Å
1036	R	90.1	Very high	90	Very high	138 Å²	138	77.8 Å²	77.8	52%	0.521	39%	0.392	S	S	.	.	H	α-helix	trans	-65.2	-19.2	175.9	-70.4	178.4	-69.4	121.2	2.8	114.3	T1032 Q1033 C1034	T1032-R1036 WeakPolarHBondContact O-CG 3.44Å; T1032-R1036 PolarHBondContact O-N 2.79Å; T1032-R1036 PolarHBondContact O-NE 3.36Å; T1032-R1036 VanDerWaalsContact O-NE 3.07Å; Q1033-R1036 VanDerWaalsContact CA-NH2 3.27Å; Q1033-R1036 VanDerWaalsContact OE1-CZ 3.24Å; C1034-R1036 VanDerWaalsContact C-N 3.34Å; C1034-R1036 PolarHBondContact O-N 2.94Å
1037	C	86	Confident	89.7	Confident	54 Å²	54	73.1 Å²	73.1	37%	0.365	38%	0.378	S	S	.	.	H	α-helix	trans	-87.8	-29.8	173.9	-168.5	0	0	0	0	112.7	Q1033 C1034 Q1035	Q1033-C1037 WeakPolarHBondContact O-CB 3.49Å; Q1033-C1037 PolarHBondContact O-N 2.75Å; Q1033-C1037 VanDerWaalsContact O-N 3.1Å; C1034-C1037 CarbonylContact O-C 3.58Å; C1034-C1037 WeakPolarHBondContact O-CA 3.4Å; C1034-C1037 WeakPolarHBondContact O-CB 3.5Å; C1034-C1037 PolarHBondContact O-N 2.66Å; Q1035-C1037 PolarHBondContact O-N 2.88Å
1038	Q	84.5	Confident	89.1	Confident	36 Å²	36	71.9 Å²	71.9	17%	0.168	38%	0.375	C	S	.	.	H	α-helix	trans	-76.4	-31.8	173.9	178	-170.8	-12.7	0	0	111.8	R507 C1034 Q1035 D1044 V1045	R507-Q1038 VanDerWaalsContact NH2-NE2 3.19Å; C1034-Q1038 PolarHBondContact O-N 2.75Å; Q1035-Q1038 PolarHBondContact O-N 3.32Å; Q1035-Q1038 VanDerWaalsContact O-N 3.15Å; Q1038-D1044 PolarHBondContact NE2-O 3.34Å; Q1038-V1045 VanDerWaalsContact OE1-CA 3.29Å
1039	G	84.8	Confident	88.5	Confident	71 Å²	71	68.8 Å²	68.8	73%	0.732	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	-5.9	-176.9	0	0	0	0	0	114.6	Q1035	Q1035-G1039 PolarHBondContact O-N 2.93Å
1040	S	84.6	Confident	87.6	Confident	26 Å²	26	66 Å²	66	18%	0.182	34%	0.343	C	S	.	.			trans	-111.4	143.3	173.1	-174.8	0	0	0	0	111.5	H1042 E1043	S1040-H1042 PolarHBondContact OG-N 3.13Å; S1040-E1043 PolarHBondContact OG-N 3.12Å
1041	L	91.1	Very high	86.9	Confident	105 Å²	105	68 Å²	68	55%	0.55	35%	0.354	S	S	.	.	S	Bend	trans	-101.9	-12.8	171.3	-56.8	-176.1	0	0	0	112.7	Q1035	Q1035-L1041 HydrophobicContact CB-CD2 4.02Å; Q1035-L1041 PolarHBondContact NE2-O 3.34Å
1042	H	90.3	Very high	86.4	Confident	182 Å²	182	65.1 Å²	65.1	84%	0.843	35%	0.345	S	S	*	.	S	Bend	trans	-114.8	-3.4	-168.3	-58.1	-73.9	0	0	0	114	S1040	S1040-H1042 PolarHBondContact OG-N 3.13Å
1043	E	85.1	Confident	85.7	Confident	103 Å²	103	65.1 Å²	65.1	48%	0.481	35%	0.346	S	S	.	.	S	Bend	trans	-118	159.1	178.3	-64.4	-176.9	-163.4	0	0	112	R507 S1040	R507-E1043 VanDerWaalsContact CD-OE2 3.29Å; R507-E1043 WeakPolarHBondContact CD-OE2 3.28Å; R507-E1043 IonicContact CZ-OE2 3.31Å; R507-E1043 IonicContact NE-OE2 2.77Å; R507-E1043 IonicContact NH1-OE2 2.89Å; R507-E1043 PolarHBondContact NH1-OE2 2.85Å; S1040-E1043 PolarHBondContact OG-N 3.12Å
1044	D	87.3	Confident	85.5	Confident	134 Å²	134	63.3 Å²	63.3	72%	0.717	34%	0.338	S	S	*	.			trans	-63.2	143	175.1	-78.4	-53.3	0	0	0	113.8	R507 Q1038 I1046	R507-D1044 PolarHBondContact NH1-O 2.93Å; R507-D1044 VanDerWaalsContact NH1-O 3.14Å; R507-D1044 PolarHBondContact NH2-O 3.23Å; Q1038-D1044 PolarHBondContact NE2-O 3.34Å; D1044-I1046 HydrophobicContact CB-CG1 4.31Å
1045	V	88.1	Confident	85.2	Confident	30 Å²	30	63.2 Å²	63.2	18%	0.182	34%	0.336	C	S	.	.			trans	-83.3	105.7	174.9	176	0	0	0	0	110	C1034 Q1035 Q1038 C1047	C1034-V1045 HydrophobicContact CB-CG1 3.68Å; C1034-V1045 HydrophobicContact CB-CG2 4.02Å; Q1035-V1045 HydrophobicContact CG-CG2 4.19Å; Q1038-V1045 VanDerWaalsContact OE1-CA 3.29Å; V1045-C1047 HydrophobicContact CG1-CB 4.34Å
1046	I	85	Confident	84.8	Confident	38 Å²	38	61 Å²	61	20%	0.195	33%	0.325	C	S	.	.			trans	-110.3	45.5	-173.4	-42.7	-177.4	0	0	0	110.6	E487 I493 D1044	E487-I1046 WeakPolarHBondContact OE1-CA 3.4Å; E487-I1046 PolarHBondContact OE1-N 3.22Å; I493-I1046 HydrophobicContact CD1-CG2 3.53Å; I493-I1046 HydrophobicContact CG2-CG2 4.06Å; D1044-I1046 HydrophobicContact CB-CG1 4.31Å
1047	C	85.5	Confident	84.6	Confident	24 Å²	24	57.2 Å²	57.2	16%	0.162	31%	0.314	C	S	.	.			trans	-103.1	118.8	-177.4	-174.7	0	0	0	0	113.3	E487 D488 V1045 S1049 F1055 R1058	E487-C1047 HydrophobicContact CG-CB 4.07Å; D488-C1047 WeakPolarHBondContact O-CA 3.4Å; V1045-C1047 HydrophobicContact CG1-CB 4.34Å; C1047-S1049 VanDerWaalsContact SG-CB 3.56Å; C1047-F1055 WeakPolarHBondContact O-CD2 3.33Å; C1047-R1058 PolarHBondContact O-NH2 2.95Å
1048	T	82.4	Confident	84.8	Confident	33 Å²	33	55.9 Å²	55.9	20%	0.202	30%	0.301	C	S	.	.			trans	-103.1	11.8	174.3	52.9	0	0	0	0	115.2	D488 Q490 R1050 F1055	D488-T1048 PolarHBondContact O-N 3.11Å; D488-T1048 PolarHBondContact O-OG1 3.36Å; D488-T1048 VanDerWaalsContact O-OG1 3.09Å; D488-T1048 PolarHBondContact OD2-OG1 3.2Å; Q490-T1048 HydrophobicContact CB-CG2 4.19Å; T1048-R1050 PolarHBondContact O-N 2.98Å; T1048-F1055 HydrophobicContact CG2-CE2 4.41Å
1049	S	82.9	Confident	84.8	Confident	6 Å²	6	57.4 Å²	57.4	4%	0.042	31%	0.307	C	S	.	.			trans	-53.8	103.4	-167.3	-170.7	0	0	0	0	113.4	N475 D488 C1047 D1051 C1052 F1055	N475-S1049 PolarHBondContact ND2-OG 2.82Å; N475-S1049 VanDerWaalsContact ND2-OG 3.08Å; D488-S1049 VanDerWaalsContact OD2-CA 3.31Å; D488-S1049 WeakPolarHBondContact OD2-CA 3.33Å; D488-S1049 PolarHBondContact OD2-N 3.11Å; D488-S1049 VanDerWaalsContact OD2-N 3.09Å; C1047-S1049 VanDerWaalsContact SG-CB 3.56Å; S1049-D1051 PolarHBondContact O-N 3.11Å; S1049-C1052 WeakPolarHBondContact O-CB 3.42Å; S1049-C1052 PolarHBondContact O-N 3.24Å; S1049-F1055 WeakPolarHBondContact O-CB 3.39Å
1050	R	77.6	Confident	84.7	Confident	106 Å²	106	56.9 Å²	56.9	40%	0.4	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.8	-174.4	-61.2	-174.7	-167.2	-178.7	7.6	113.7	T1048 Y1056	T1048-R1050 PolarHBondContact O-N 2.98Å; R1050-Y1056 WeakPolarHBondContact CA-OH 3.33Å; R1050-Y1056 WeakPolarHBondContact CB-OH 3.36Å; R1050-Y1056 VanDerWaalsContact O-CE2 3.28Å; R1050-Y1056 WeakPolarHBondContact O-CE2 3.46Å; R1050-Y1056 PolarHBondContact O-OH 3.04Å
1051	D	78.5	Confident	84.9	Confident	61 Å²	61	55.8 Å²	55.8	33%	0.326	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-12.5	175	-61.1	-80.8	0	0	0	112.9	S471 T473 A476 S1049	S471-D1051 WeakPolarHBondContact CB-OD1 3.46Å; S471-D1051 PolarHBondContact OG-OD1 3.29Å; T473-D1051 WeakPolarHBondContact CG2-OD2 3.41Å; T473-D1051 PolarHBondContact OG1-OD2 2.95Å; A476-D1051 HydrophobicContact CB-CB 4.17Å; S1049-D1051 PolarHBondContact O-N 3.11Å
1052	C	82.8	Confident	84.7	Confident	14 Å²	14	58 Å²	58	10%	0.095	28%	0.278	C	S	.	.			trans	-81.6	124	179.4	-176.9	0	0	0	0	111.3	Q485 S1049 I1054 F1055	Q485-C1052 PolarHBondContact OE1-SG 3.38Å; S1049-C1052 WeakPolarHBondContact O-CB 3.42Å; S1049-C1052 PolarHBondContact O-N 3.24Å; C1052-I1054 PolarHBondContact O-N 3.2Å; C1052-F1055 HydrophobicContact CB-CB 4.3Å; C1052-F1055 WeakPolarHBondContact O-CB 3.29Å; C1052-F1055 PolarHBondContact O-N 3.08Å
1053	P	80.5	Confident	84.4	Confident	55 Å²	55	54.5 Å²	54.5	36%	0.357	26%	0.26	S	S	.	.	H	α-helix	trans	-65.6	-25.1	178.8	27	-34.7	0	0	0	113	F1055 M1057	P1053-F1055 VanDerWaalsContact C-N 3.31Å; P1053-F1055 PolarHBondContact O-N 2.97Å; P1053-M1057 WeakPolarHBondContact O-CB 3.3Å
1054	I	87.1	Confident	84.4	Confident	38 Å²	38	52 Å²	52	20%	0.195	25%	0.25	C	S	.	.	H	α-helix	trans	-69.2	-29.8	177.7	-50.7	-60.8	0	0	0	111.4	L1030 C1052 M1057 R1058	L1030-I1054 HydrophobicContact CD2-CD1 3.74Å; L1030-I1054 HydrophobicContact CD2-CG2 4.15Å; C1052-I1054 PolarHBondContact O-N 3.2Å; I1054-M1057 PolarHBondContact O-N 2.67Å; I1054-R1058 WeakPolarHBondContact O-CB 3.22Å; I1054-R1058 WeakPolarHBondContact O-CG 3.27Å; I1054-R1058 PolarHBondContact O-N 3.28Å
1055	F	85.1	Confident	84.5	Confident	15 Å²	15	47.1 Å²	47.1	7%	0.066	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-50.7	-171.9	172.5	-111.5	0	0	0	113.2	L919 C1047 T1048 S1049 C1052 P1053 R1058	L919-F1055 HydrophobicContact CD1-CE1 4.1Å; L919-F1055 HydrophobicContact CD1-CZ 4.02Å; C1047-F1055 WeakPolarHBondContact O-CD2 3.33Å; T1048-F1055 HydrophobicContact CG2-CE2 4.41Å; S1049-F1055 WeakPolarHBondContact O-CB 3.39Å; C1052-F1055 HydrophobicContact CB-CB 4.3Å; C1052-F1055 WeakPolarHBondContact O-CB 3.29Å; C1052-F1055 PolarHBondContact O-N 3.08Å; P1053-F1055 VanDerWaalsContact C-N 3.31Å; P1053-F1055 PolarHBondContact O-N 2.97Å; F1055-R1058 WeakPolarHBondContact O-CG 3.42Å
1056	Y	82.1	Confident	84.6	Confident	13 Å²	13	49.5 Å²	49.5	5%	0.051	23%	0.234	C	C	.	.	H	α-helix	trans	-72.6	-41.1	175.7	-52	-75.3	0	0	0	111.2	I854 P918 L922 R1050 R1058 K1059 K1060	I854-Y1056 HydrophobicContact CG2-CD1 4.26Å; I854-Y1056 HydrophobicContact CG2-CG 3.93Å; P918-Y1056 HydrophobicContact CB-CE1 4.16Å; L922-Y1056 HydrophobicContact CD1-CD1 3.86Å; L922-Y1056 HydrophobicContact CD1-CG 4.4Å; R1050-Y1056 WeakPolarHBondContact CA-OH 3.33Å; R1050-Y1056 WeakPolarHBondContact CB-OH 3.36Å; R1050-Y1056 VanDerWaalsContact O-CE2 3.28Å; R1050-Y1056 WeakPolarHBondContact O-CE2 3.46Å; R1050-Y1056 PolarHBondContact O-OH 3.04Å; Y1056-R1058 PolarHBondContact O-N 3.46Å; Y1056-K1059 PolarHBondContact O-N 3.4Å; Y1056-K1059 VanDerWaalsContact O-N 3.14Å; Y1056-K1060 PolarHBondContact O-N 3.18Å
1057	M	86.1	Confident	84.7	Confident	57 Å²	57	50.9 Å²	50.9	28%	0.281	24%	0.241	S	C	.	.	H	α-helix	trans	-62.5	-42.4	-175.3	-164.4	-176.8	-60.9	0	0	112.6	L1030 P1053 I1054 K1059 K1060 V1061	L1030-M1057 HydrophobicContact CD1-CB 4.47Å; L1030-M1057 HydrophobicContact CD1-CG 3.85Å; L1030-M1057 HydrophobicContact CD1-SD 4.09Å; L1030-M1057 HydrophobicContact CD2-CG 4.4Å; L1030-M1057 HydrophobicContact CD2-SD 3.82Å; P1053-M1057 WeakPolarHBondContact O-CB 3.3Å; I1054-M1057 PolarHBondContact O-N 2.67Å; M1057-K1059 VanDerWaalsContact C-N 3.28Å; M1057-K1059 PolarHBondContact O-N 3.19Å; M1057-K1060 PolarHBondContact O-N 3.48Å; M1057-V1061 HydrophobicContact CG-CG2 4.41Å; M1057-V1061 WeakPolarHBondContact O-CG2 3.47Å; M1057-V1061 PolarHBondContact O-N 3.46Å
1058	R	89	Confident	84.9	Confident	26 Å²	26	50.6 Å²	50.6	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-33.6	176.4	75.5	-178.8	178.8	133.2	-9.5	112.6	L1030 W1031 C1047 I1054 F1055 Y1056 R1062	L1030-R1058 HydrophobicContact CB-CB 4.39Å; W1031-R1058 HydrophobicContact CZ2-CB 4.44Å; W1031-R1058 HydrophobicContact CZ2-CG 4.27Å; C1047-R1058 PolarHBondContact O-NH2 2.95Å; I1054-R1058 WeakPolarHBondContact O-CB 3.22Å; I1054-R1058 WeakPolarHBondContact O-CG 3.27Å; I1054-R1058 PolarHBondContact O-N 3.28Å; F1055-R1058 WeakPolarHBondContact O-CG 3.42Å; Y1056-R1058 PolarHBondContact O-N 3.46Å; R1058-R1062 PolarHBondContact O-N 3.05Å
1059	K	84.3	Confident	85.4	Confident	68 Å²	68	52.6 Å²	52.6	30%	0.296	25%	0.245	S	C	.	.	H	α-helix	trans	-77.8	-34.3	179.2	-158.4	172.1	175.6	174.8	0	111.3	L922 E923 Y1056 M1057	L922-K1059 HydrophobicContact CD1-CB 4.23Å; L922-K1059 HydrophobicContact CD1-CD 4.31Å; L922-K1059 HydrophobicContact CD2-CB 4.09Å; L922-K1059 HydrophobicContact CD2-CD 3.72Å; L922-K1059 HydrophobicContact CD2-CG 3.66Å; E923-K1059 VanDerWaalsContact CG-NZ 3.33Å; E923-K1059 IonicContact OE1-NZ 3.17Å; E923-K1059 PolarHBondContact OE1-NZ 2.91Å; Y1056-K1059 PolarHBondContact O-N 3.4Å; Y1056-K1059 VanDerWaalsContact O-N 3.14Å; M1057-K1059 VanDerWaalsContact C-N 3.28Å; M1057-K1059 PolarHBondContact O-N 3.19Å
1060	K	82.6	Confident	85.7	Confident	60 Å²	60	56.4 Å²	56.4	26%	0.261	26%	0.262	S	S	.	.	H	α-helix	trans	-67.5	-53.8	170.1	168.9	162.6	168.5	49.9	0	112.3	Y1056 M1057 R1062 K1063 D1064	Y1056-K1060 PolarHBondContact O-N 3.18Å; M1057-K1060 PolarHBondContact O-N 3.48Å; K1060-R1062 PolarHBondContact O-N 2.6Å; K1060-K1063 WeakPolarHBondContact O-CA 3.46Å; K1060-K1063 PolarHBondContact O-N 3.09Å; K1060-D1064 WeakPolarHBondContact CE-OD2 3.45Å; K1060-D1064 VanDerWaalsContact CG-OD2 3.28Å; K1060-D1064 WeakPolarHBondContact CG-OD2 3.46Å; K1060-D1064 IonicContact NZ-OD1 3.7Å; K1060-D1064 PolarHBondContact NZ-OD1 3.21Å; K1060-D1064 IonicContact NZ-OD2 3.76Å; K1060-D1064 PolarHBondContact NZ-OD2 2.99Å; K1060-D1064 PolarHBondContact O-N 3.33Å
1061	V	88.6	Confident	86.3	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-33.7	-176.2	174.2	0	0	0	0	111.8	R1026 F1027 L1030 M1057 K1063 D1064 L1065	R1026-V1061 HydrophobicContact CB-CG1 4.45Å; R1026-V1061 HydrophobicContact CG-CG1 4.37Å; R1026-V1061 HydrophobicContact CG-CG2 4.19Å; F1027-V1061 HydrophobicContact CB-CG1 3.97Å; F1027-V1061 HydrophobicContact CD2-CG1 4.48Å; L1030-V1061 HydrophobicContact CD1-CB 4.21Å; L1030-V1061 HydrophobicContact CD1-CG2 3.82Å; M1057-V1061 HydrophobicContact CG-CG2 4.41Å; M1057-V1061 WeakPolarHBondContact O-CG2 3.47Å; M1057-V1061 PolarHBondContact O-N 3.46Å; V1061-K1063 PolarHBondContact O-N 3.32Å; V1061-D1064 PolarHBondContact O-N 3.38Å; V1061-L1065 VanDerWaalsContact O-CB 3.25Å; V1061-L1065 WeakPolarHBondContact O-CB 3.36Å; V1061-L1065 PolarHBondContact O-N 3.04Å
1062	R	88.7	Confident	87	Confident	150 Å²	150	51.4 Å²	51.4	57%	0.566	24%	0.243	S	C	*	.	H	α-helix	trans	-59.8	-29.6	171	-175.1	173.6	177.5	-175.9	0.7	113.6	F1027 R1058 K1060 E1066	F1027-R1062 HydrophobicContact CD2-CB 4.43Å; F1027-R1062 HydrophobicContact CE2-CB 3.97Å; F1027-R1062 HydrophobicContact CE2-CG 4.1Å; R1058-R1062 PolarHBondContact O-N 3.05Å; K1060-R1062 PolarHBondContact O-N 2.6Å; R1062-E1066 PolarHBondContact O-N 3.08Å
1063	K	83.3	Confident	87.5	Confident	109 Å²	109	58 Å²	58	47%	0.474	27%	0.265	S	S	.	.	H	α-helix	trans	-87.9	-38.3	176.6	-69.9	-56.4	-174.8	-171.1	0	112.9	K1060 V1061 L1065 E1066 D1067	K1060-K1063 WeakPolarHBondContact O-CA 3.46Å; K1060-K1063 PolarHBondContact O-N 3.09Å; V1061-K1063 PolarHBondContact O-N 3.32Å; K1063-L1065 VanDerWaalsContact C-N 3.26Å; K1063-L1065 PolarHBondContact O-N 2.65Å; K1063-E1066 PolarHBondContact O-N 3.08Å; K1063-D1067 PolarHBondContact O-N 2.81Å
1064	D	84.4	Confident	88	Confident	50 Å²	50	58 Å²	58	27%	0.267	26%	0.259	S	S	.	.	H	α-helix	trans	-59.2	-40.9	172.5	-59.7	-24.4	0	0	0	110.9	L1023 K1060 V1061 Q1068	L1023-D1064 HydrophobicContact CD1-CB 4.41Å; L1023-D1064 HydrophobicContact CD2-CB 4.09Å; K1060-D1064 WeakPolarHBondContact CE-OD2 3.45Å; K1060-D1064 VanDerWaalsContact CG-OD2 3.28Å; K1060-D1064 WeakPolarHBondContact CG-OD2 3.46Å; K1060-D1064 IonicContact NZ-OD1 3.7Å; K1060-D1064 PolarHBondContact NZ-OD1 3.21Å; K1060-D1064 IonicContact NZ-OD2 3.76Å; K1060-D1064 PolarHBondContact NZ-OD2 2.99Å; K1060-D1064 PolarHBondContact O-N 3.33Å; V1061-D1064 PolarHBondContact O-N 3.38Å; D1064-Q1068 WeakPolarHBondContact O-CB 3.45Å; D1064-Q1068 PolarHBondContact O-N 3.01Å; D1064-Q1068 VanDerWaalsContact O-N 3.1Å
1065	L	90.6	Very high	88.2	Confident	32 Å²	32	58.4 Å²	58.4	17%	0.168	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-48.3	177.9	-174.3	67	0	0	0	112.4	L1020 L1023 E1024 F1027 V1061 K1063 Q1068 E1069	L1020-L1065 HydrophobicContact CD1-CD1 3.7Å; L1020-L1065 HydrophobicContact CG-CD1 4.45Å; L1023-L1065 HydrophobicContact CB-CD1 3.79Å; E1024-L1065 HydrophobicContact CG-CD1 3.68Å; F1027-L1065 HydrophobicContact CB-CD2 4.18Å; F1027-L1065 HydrophobicContact CD2-CD2 4.06Å; F1027-L1065 HydrophobicContact CG-CD2 4.05Å; V1061-L1065 VanDerWaalsContact O-CB 3.25Å; V1061-L1065 WeakPolarHBondContact O-CB 3.36Å; V1061-L1065 PolarHBondContact O-N 3.04Å; K1063-L1065 VanDerWaalsContact C-N 3.26Å; K1063-L1065 PolarHBondContact O-N 2.65Å; L1065-Q1068 PolarHBondContact O-N 3.38Å; L1065-E1069 WeakPolarHBondContact O-CB 3.39Å; L1065-E1069 PolarHBondContact O-N 3.47Å
1066	E	89.7	Confident	88.4	Confident	81 Å²	81	59.6 Å²	59.6	38%	0.379	28%	0.275	S	S	.	.	H	α-helix	trans	-56.9	-51.8	174.6	170.1	91.2	-123	0	0	111.5	R1062 K1063 Q1068 E1069 Q1070	R1062-E1066 PolarHBondContact O-N 3.08Å; K1063-E1066 PolarHBondContact O-N 3.08Å; E1066-Q1068 PolarHBondContact O-N 3.23Å; E1066-E1069 PolarHBondContact O-N 3.35Å; E1066-Q1070 WeakPolarHBondContact O-CG 3.23Å; E1066-Q1070 PolarHBondContact O-N 2.76Å; E1066-Q1070 VanDerWaalsContact O-N 3.08Å; E1066-Q1070 PolarHBondContact OE1-NE2 2.85Å
1067	D	85.8	Confident	88.8	Confident	67 Å²	67	64.1 Å²	64.1	36%	0.358	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-27	-177.8	-84.3	-55.3	0	0	0	112	R984 K1063 L1071	R984-D1067 IonicContact NH2-OD1 2.6Å; K1063-D1067 PolarHBondContact O-N 2.81Å; D1067-L1071 PolarHBondContact O-N 3.29Å
1068	Q	90.2	Very high	89	Confident	18 Å²	18	68.1 Å²	68.1	8%	0.084	34%	0.336	C	S	.	.	H	α-helix	trans	-80.4	-37.4	174.1	-171.9	67.5	2.6	0	0	113.3	E1016 L1020 L1023 D1064 L1065 E1066 L1071 L1072	E1016-Q1068 PolarHBondContact O-NE2 3Å; E1016-Q1068 PolarHBondContact OE2-NE2 3.4Å; L1020-Q1068 HydrophobicContact CB-CG 4.21Å; L1020-Q1068 HydrophobicContact CD1-CB 4.14Å; L1020-Q1068 HydrophobicContact CD1-CG 3.9Å; L1023-Q1068 HydrophobicContact CD1-CB 3.96Å; L1023-Q1068 HydrophobicContact CD1-CG 4.18Å; D1064-Q1068 WeakPolarHBondContact O-CB 3.45Å; D1064-Q1068 PolarHBondContact O-N 3.01Å; D1064-Q1068 VanDerWaalsContact O-N 3.1Å; L1065-Q1068 PolarHBondContact O-N 3.38Å; E1066-Q1068 PolarHBondContact O-N 3.23Å; Q1068-L1071 WeakPolarHBondContact O-CB 3.44Å; Q1068-L1071 PolarHBondContact O-N 2.82Å; Q1068-L1072 PolarHBondContact O-N 2.72Å; Q1068-L1072 VanDerWaalsContact O-N 3.07Å
1069	E	92.7	Very high	89.1	Confident	75 Å²	75	68.5 Å²	68.5	35%	0.35	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-46.4	176.1	-161	-145.5	143.7	0	0	110.5	L1020 L1065 E1066 L1071 L1072 R1073	L1020-E1069 HydrophobicContact CD1-CB 4.41Å; L1065-E1069 WeakPolarHBondContact O-CB 3.39Å; L1065-E1069 PolarHBondContact O-N 3.47Å; E1066-E1069 PolarHBondContact O-N 3.35Å; E1069-L1071 PolarHBondContact O-N 3.48Å; E1069-L1072 PolarHBondContact O-N 3.43Å; E1069-L1072 VanDerWaalsContact O-N 3.11Å; E1069-R1073 WeakPolarHBondContact O-CG 3.48Å; E1069-R1073 PolarHBondContact O-N 2.86Å; E1069-R1073 IonicContact OE1-CZ 3.47Å; E1069-R1073 IonicContact OE1-NE 3.48Å; E1069-R1073 PolarHBondContact OE1-NE 3.08Å; E1069-R1073 IonicContact OE1-NH2 3.24Å; E1069-R1073 PolarHBondContact OE1-NH2 3.02Å; E1069-R1073 IonicContact OE2-NH2 3.55Å
1070	Q	90.3	Very high	89.3	Confident	86 Å²	86	69.9 Å²	69.9	40%	0.402	36%	0.364	S	S	.	.	H	α-helix	trans	-63	-25.4	175.7	-59.5	-71.5	-4.7	0	0	112.5	E1066	E1066-Q1070 WeakPolarHBondContact O-CG 3.23Å; E1066-Q1070 PolarHBondContact O-N 2.76Å; E1066-Q1070 VanDerWaalsContact O-N 3.08Å; E1066-Q1070 PolarHBondContact OE1-NE2 2.85Å
1071	L	89.7	Confident	89.5	Confident	44 Å²	44	76.3 Å²	76.3	23%	0.23	40%	0.395	C	S	.	.	H	α-helix	trans	-72.9	-43.5	172.8	179.4	154.2	0	0	0	111.4	I989 E1016 D1067 Q1068 E1069 R1074	I989-L1071 HydrophobicContact CD1-CD2 3.83Å; I989-L1071 HydrophobicContact CD1-CG 4.25Å; E1016-L1071 HydrophobicContact CB-CD2 4.11Å; E1016-L1071 HydrophobicContact CG-CD2 3.97Å; D1067-L1071 PolarHBondContact O-N 3.29Å; Q1068-L1071 WeakPolarHBondContact O-CB 3.44Å; Q1068-L1071 PolarHBondContact O-N 2.82Å; E1069-L1071 PolarHBondContact O-N 3.48Å; L1071-R1074 VanDerWaalsContact O-CB 3.29Å; L1071-R1074 WeakPolarHBondContact O-CB 3.47Å; L1071-R1074 WeakPolarHBondContact O-CG 3.23Å; L1071-R1074 PolarHBondContact O-N 3.03Å
1072	L	92.9	Very high	89.2	Confident	18 Å²	18	80.9 Å²	80.9	9%	0.094	43%	0.433	C	S	.	.	H	α-helix	trans	-70.9	-30.8	-180	-80.4	162.9	0	0	0	113.2	Y1013 E1016 V1017 L1020 Q1068 E1069 R1074 F1075	Y1013-L1072 HydrophobicContact CD2-CD2 4Å; Y1013-L1072 HydrophobicContact CE2-CD2 3.88Å; E1016-L1072 HydrophobicContact CB-CD2 3.83Å; E1016-L1072 HydrophobicContact CB-CG 4.36Å; V1017-L1072 HydrophobicContact CB-CD2 4.39Å; L1020-L1072 HydrophobicContact CB-CD1 3.66Å; L1020-L1072 HydrophobicContact CD1-CD1 4.29Å; L1020-L1072 HydrophobicContact CD2-CD1 3.68Å; L1020-L1072 HydrophobicContact CG-CD1 4.08Å; Q1068-L1072 PolarHBondContact O-N 2.72Å; Q1068-L1072 VanDerWaalsContact O-N 3.07Å; E1069-L1072 PolarHBondContact O-N 3.43Å; E1069-L1072 VanDerWaalsContact O-N 3.11Å; L1072-R1074 PolarHBondContact O-N 2.87Å; L1072-F1075 HydrophobicContact CD2-CD2 4.28Å; L1072-F1075 HydrophobicContact CD2-CE2 4.21Å; L1072-F1075 WeakPolarHBondContact O-CD2 3.18Å; L1072-F1075 PolarHBondContact O-N 3.26Å; L1072-F1075 VanDerWaalsContact O-N 3.11Å
1073	R	92.8	Very high	88	Confident	151 Å²	151	85.5 Å²	85.5	57%	0.57	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-55.8	-17.5	171.5	-70.3	175	-178.8	-152.6	1.7	113.6	E1069 F1075 G1076	E1069-R1073 WeakPolarHBondContact O-CG 3.48Å; E1069-R1073 PolarHBondContact O-N 2.86Å; E1069-R1073 IonicContact OE1-CZ 3.47Å; E1069-R1073 IonicContact OE1-NE 3.48Å; E1069-R1073 PolarHBondContact OE1-NE 3.08Å; E1069-R1073 IonicContact OE1-NH2 3.24Å; E1069-R1073 PolarHBondContact OE1-NH2 3.02Å; E1069-R1073 IonicContact OE2-NH2 3.55Å; R1073-F1075 VanDerWaalsContact C-N 3.29Å; R1073-F1075 PolarHBondContact O-N 2.89Å; R1073-G1076 PolarHBondContact O-N 3.15Å
1074	R	92.5	Very high	88.3	Confident	57 Å²	57	84.3 Å²	84.3	22%	0.215	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-71.9	-12.3	176.6	-62.6	177.6	61.6	-156.5	-3.6	115.4	C987 Q998 G999 A1000 L1071 L1072	C987-R1074 PolarHBondContact O-NH1 2.95Å; C987-R1074 PolarHBondContact O-NH2 3.28Å; Q998-R1074 PolarHBondContact O-NE 2.99Å; G999-R1074 PolarHBondContact O-NH2 3.03Å; A1000-R1074 HydrophobicContact CB-CB 4.09Å; A1000-R1074 PolarHBondContact N-O 2.83Å; A1000-R1074 PolarHBondContact O-NH2 3.33Å; L1071-R1074 VanDerWaalsContact O-CB 3.29Å; L1071-R1074 WeakPolarHBondContact O-CB 3.47Å; L1071-R1074 WeakPolarHBondContact O-CG 3.23Å; L1071-R1074 PolarHBondContact O-N 3.03Å; L1072-R1074 PolarHBondContact O-N 2.87Å
1075	F	91.7	Very high	88.5	Confident	46 Å²	46	86.1 Å²	86.1	20%	0.202	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-89	-5.2	175	-65.9	-93.6	0	0	0	112.8	I989 A1000 E1009 Y1013 L1072 R1073	I989-F1075 HydrophobicContact CD1-CE2 3.65Å; I989-F1075 HydrophobicContact CD1-CZ 3.7Å; A1000-F1075 HydrophobicContact CB-CD1 3.58Å; A1000-F1075 HydrophobicContact CB-CD2 3.88Å; A1000-F1075 HydrophobicContact CB-CE1 3.55Å; A1000-F1075 HydrophobicContact CB-CE2 3.84Å; A1000-F1075 HydrophobicContact CB-CG 3.77Å; A1000-F1075 HydrophobicContact CB-CZ 3.7Å; E1009-F1075 HydrophobicContact CG-CD1 3.99Å; E1009-F1075 HydrophobicContact CG-CE1 3.93Å; Y1013-F1075 HydrophobicContact CD2-CB 4.02Å; Y1013-F1075 AromaticContact CD2-CD1 3.98Å; Y1013-F1075 HydrophobicContact CD2-CD1 3.98Å; Y1013-F1075 AromaticContact CD2-CD2 3.79Å; Y1013-F1075 HydrophobicContact CD2-CD2 3.79Å; Y1013-F1075 HydrophobicContact CD2-CE1 4.31Å; Y1013-F1075 HydrophobicContact CD2-CE2 4.15Å; Y1013-F1075 AromaticContact CD2-CG 3.68Å; Y1013-F1075 HydrophobicContact CD2-CG 3.68Å; Y1013-F1075 HydrophobicContact CD2-CZ 4.38Å; Y1013-F1075 HydrophobicContact CE2-CB 4.24Å; Y1013-F1075 HydrophobicContact CE2-CD2 4.36Å; Y1013-F1075 HydrophobicContact CE2-CG 4.32Å; L1072-F1075 HydrophobicContact CD2-CD2 4.28Å; L1072-F1075 HydrophobicContact CD2-CE2 4.21Å; L1072-F1075 WeakPolarHBondContact O-CD2 3.18Å; L1072-F1075 PolarHBondContact O-N 3.26Å; L1072-F1075 VanDerWaalsContact O-N 3.11Å; R1073-F1075 VanDerWaalsContact C-N 3.29Å; R1073-F1075 PolarHBondContact O-N 2.89Å
1076	G	88.7	Confident	88.4	Confident	39 Å²	39	89.1 Å²	89.1	40%	0.402	48%	0.475	S	S	.	.			trans	89.1	166.6	-172.8	0	0	0	0	0	113.1	R1073	R1073-G1076 PolarHBondContact O-N 3.15Å
1077	P	90	Very high	88.3	Confident	108 Å²	108	89.6 Å²	89.6	70%	0.701	48%	0.481	S	S	*	.			trans	-78.2	150.7	178.8	34.3	-35.9	0	0	0	111.3	G1079	P1077-G1079 WeakPolarHBondContact CB-O 3.27Å; P1077-G1079 PolarHBondContact O-N 3.5Å
1078	P	89.9	Confident	88.4	Confident	142 Å²	142	91 Å²	91	92%	0.922	49%	0.489	S	S	*	.	S	Bend	trans	-72.5	-11.2	-179.9	30.9	-36.3	0	0	0	113.8
1079	G	90.8	Very high	88.3	Confident	34 Å²	34	95.9 Å²	95.9	35%	0.351	52%	0.516	S	S	.	.	S	Bend	trans	-170.5	174.7	174.9	0	0	0	0	0	109.9	P1077	P1077-G1079 WeakPolarHBondContact CB-O 3.27Å; P1077-G1079 PolarHBondContact O-N 3.5Å
1080	P	88.3	Confident	88	Confident	96 Å²	96	97.4 Å²	97.4	62%	0.623	53%	0.527	S	S	*	.			trans	-71.5	165.4	171.6	1.5	12.7	0	0	0	111.1	W1083	P1080-W1083 VanDerWaalsContact C-NE1 3.3Å; P1080-W1083 VanDerWaalsContact O-CE2 3.32Å; P1080-W1083 WeakPolarHBondContact O-CZ2 3.39Å; P1080-W1083 PolarHBondContact O-NE1 3.19Å
1081	E	88.3	Confident	87.8	Confident	196 Å²	196	98.2 Å²	98.2	92%	0.916	54%	0.537	S	S	*	.	S	Bend	trans	-118	9	-177.1	67.5	-169.8	159.3	0	0	114.1
1082	A	82.9	Confident	87.7	Confident	99 Å²	99	102.8 Å²	102.8	82%	0.818	56%	0.562	S	S	*	*			trans	-134.7	47.7	-167.9	0	0	0	0	0	112.9
1083	W	63.5	Low	87.2	Confident	247 Å²	247	110.5 Å²	110.5	94%	0.936	61%	0.605	S	S	*	*			trans	-127.4	0	169.9	36.5	-93	0	0	0	109.8	P1080	P1080-W1083 VanDerWaalsContact C-NE1 3.3Å; P1080-W1083 VanDerWaalsContact O-CE2 3.32Å; P1080-W1083 WeakPolarHBondContact O-CZ2 3.39Å; P1080-W1083 PolarHBondContact O-NE1 3.19Å

Retrieved 1,083 of 1,083 residues in 496.7 ms (Link to these results)

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